A0A087XT41_POEFO Loading...

Cardiotrophin-like cytokine factor 1

In complex with CRLF1, forms a heterodimeric neurotropic cytokine that plays a crucial role during neuronal development. Also stimulates B-cells. Binds to and activates the ILST/gp130 receptor.

AlphaFold DB , UniProt , Accession A0A087XT41, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 186 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
1M51.6Low73.3Confident238 Ų238100 Ų100100%1.17254%0.544SS*.  0119.30-72.4-64172.300107.1P3M1-P3 WeakPolarHBondContact O-CD 3.5Å
2D58.3Low74.8Confident101 Ų10197.8 Ų97.854%0.5454%0.541SS..  trans-70.6121.1-176.2-173.4-21.1000110.4S4 H5D2-S4 PolarHBondContact O-N 3.27Å; D2-S4 VanDerWaalsContact O-N 3.15Å; D2-S4 VanDerWaalsContact OD1-CB 3.29Å; D2-S4 WeakPolarHBondContact OD1-CB 3.49Å; D2-S4 PolarHBondContact OD1-N 2.95Å; D2-S4 PolarHBondContact OD1-OG 3.26Å; D2-H5 HydrophobicContact CB-CB 4.42Å; D2-H5 PolarHBondContact O-N 3.49Å
3P65.5Low76.2Confident95 Ų9593.2 Ų93.262%0.61752%0.52SS*.Hα-helixtrans-54.4-31.1178.1-24.433.2000113.6M1 N6 L7M1-P3 WeakPolarHBondContact O-CD 3.5Å; P3-N6 PolarHBondContact O-N 3.1Å; P3-L7 WeakPolarHBondContact O-CG 3.5Å; P3-L7 PolarHBondContact O-N 3.44Å
4S64.5Low77.6Confident80 Ų8086.5 Ų86.556%0.55948%0.483SS*.Hα-helixtrans-69.4-37.5-176.5-43.10000112.1D2 A8D2-S4 PolarHBondContact O-N 3.27Å; D2-S4 VanDerWaalsContact O-N 3.15Å; D2-S4 VanDerWaalsContact OD1-CB 3.29Å; D2-S4 WeakPolarHBondContact OD1-CB 3.49Å; D2-S4 PolarHBondContact OD1-N 2.95Å; D2-S4 PolarHBondContact OD1-OG 3.26Å; S4-A8 PolarHBondContact O-N 3.4Å
5H67.8Low78.7Confident146 Ų14685.9 Ų85.968%0.67648%0.475SS*.Hα-helixtrans-69.9-35.1178.7-171.6-83000111.7D2 S9D2-H5 HydrophobicContact CB-CB 4.42Å; D2-H5 PolarHBondContact O-N 3.49Å; H5-S9 PolarHBondContact O-N 3.12Å
6N78Confident79.8Confident88 Ų8885 Ų8547%0.47148%0.476SS..Hα-helixtrans-67.2-45.3177.8-163.72.9000111.5P3 A8 S9 E10P3-N6 PolarHBondContact O-N 3.1Å; N6-A8 VanDerWaalsContact C-N 3.35Å; N6-A8 PolarHBondContact O-N 2.98Å; N6-S9 WeakPolarHBondContact O-CB 3.48Å; N6-S9 PolarHBondContact O-N 3.14Å; N6-S9 VanDerWaalsContact O-N 3.16Å; N6-E10 WeakPolarHBondContact O-CG 3.41Å; N6-E10 PolarHBondContact O-N 2.88Å
7L78.1Confident80.8Confident75 Ų7580.1 Ų80.139%0.39345%0.449SS..Hα-helixtrans-61.3-39.2177.5-71169.5000113.2P3 R11 L185P3-L7 WeakPolarHBondContact O-CG 3.5Å; P3-L7 PolarHBondContact O-N 3.44Å; L7-R11 VanDerWaalsContact O-CG 3.31Å; L7-R11 WeakPolarHBondContact O-CG 3.46Å; L7-R11 PolarHBondContact O-N 3.24Å; L7-L185 HydrophobicContact CD2-CD2 4.25Å
8A81Confident81.7Confident58 Ų5877.9 Ų77.948%0.47943%0.433SS..Hα-helixtrans-64.9-40.7175.900000111.9S4 N6 R11 S12S4-A8 PolarHBondContact O-N 3.4Å; N6-A8 VanDerWaalsContact C-N 3.35Å; N6-A8 PolarHBondContact O-N 2.98Å; A8-R11 PolarHBondContact O-N 3.41Å; A8-S12 PolarHBondContact O-N 3.12Å; A8-S12 VanDerWaalsContact O-N 3.1Å
9S85.4Confident82.5Confident71 Ų7179 Ų7950%0.49743%0.434SS..Hα-helixtrans-63.9-46176.1-172.10000111.9H5 N6 R11 S12 S13H5-S9 PolarHBondContact O-N 3.12Å; N6-S9 WeakPolarHBondContact O-CB 3.48Å; N6-S9 PolarHBondContact O-N 3.14Å; N6-S9 VanDerWaalsContact O-N 3.16Å; S9-R11 PolarHBondContact O-N 2.76Å; S9-S12 PolarHBondContact O-N 2.81Å; S9-S13 WeakPolarHBondContact O-CB 3.46Å; S9-S13 PolarHBondContact O-N 2.66Å
10E87.6Confident83.3Confident22 Ų2277.3 Ų77.310%0.10342%0.424CS..Hα-helixtrans-60-44.6176.5-71.5178.2-17700112.2N6 S12 S13 I14 L130 L185N6-E10 WeakPolarHBondContact O-CG 3.41Å; N6-E10 PolarHBondContact O-N 2.88Å; E10-S12 PolarHBondContact O-N 3.29Å; E10-S13 PolarHBondContact O-N 2.9Å; E10-I14 WeakPolarHBondContact O-CD1 3.47Å; E10-I14 VanDerWaalsContact O-CG1 3.29Å; E10-I14 WeakPolarHBondContact O-CG1 3.37Å; E10-I14 PolarHBondContact O-N 3.28Å; E10-L130 VanDerWaalsContact CD-CD2 3.49Å; E10-L130 HydrophobicContact CG-CD2 4.1Å; E10-L130 WeakPolarHBondContact OE2-CD2 3.23Å; E10-L185 HydrophobicContact CB-CD1 3.85Å; E10-L185 WeakPolarHBondContact OE2-CD2 3.3Å
11R89.1Confident84Confident126 Ų12673.6 Ų73.648%0.47540%0.404SS..Hα-helixtrans-59.6-46.6177.2-74.9175.7-178.2152.7-1.6111.5L7 A8 S9 S13 I14 E15 L185L7-R11 VanDerWaalsContact O-CG 3.31Å; L7-R11 WeakPolarHBondContact O-CG 3.46Å; L7-R11 PolarHBondContact O-N 3.24Å; A8-R11 PolarHBondContact O-N 3.41Å; S9-R11 PolarHBondContact O-N 2.76Å; R11-S13 VanDerWaalsContact C-N 3.34Å; R11-S13 PolarHBondContact O-N 3.41Å; R11-I14 PolarHBondContact O-N 3.4Å; R11-E15 WeakPolarHBondContact O-CB 3.44Å; R11-E15 PolarHBondContact O-N 3.17Å; R11-L185 HydrophobicContact CB-CD1 4.4Å; R11-L185 HydrophobicContact CG-CB 3.89Å; R11-L185 HydrophobicContact CG-CD1 3.62Å; R11-L185 HydrophobicContact CG-CG 4.44Å; R11-L185 PolarHBondContact NE-O 3.38Å; R11-L185 PolarHBondContact NH2-O 3.09Å
12S90.7Very high86.2Confident73 Ų7365.8 Ų65.851%0.5136%0.363SS..Hα-helixtrans-62.7-40.6177.8-175.80000112A8 S9 E10 E15 S16A8-S12 PolarHBondContact O-N 3.12Å; A8-S12 VanDerWaalsContact O-N 3.1Å; S9-S12 PolarHBondContact O-N 2.81Å; E10-S12 PolarHBondContact O-N 3.29Å; S12-E15 PolarHBondContact O-N 3.03Å; S12-S16 WeakPolarHBondContact O-CB 3.38Å; S12-S16 PolarHBondContact O-N 2.91Å; S12-S16 PolarHBondContact O-OG 3.08Å
13S93.4Very high88.1Confident38 Ų3866.4 Ų66.427%0.26636%0.359SS..Hα-helixtrans-64.8-42.2177.7-172.40000112.4S9 E10 R11 S16 T17 L126S9-S13 WeakPolarHBondContact O-CB 3.46Å; S9-S13 PolarHBondContact O-N 2.66Å; E10-S13 PolarHBondContact O-N 2.9Å; R11-S13 VanDerWaalsContact C-N 3.34Å; R11-S13 PolarHBondContact O-N 3.41Å; S13-S16 PolarHBondContact O-N 3.38Å; S13-T17 WeakPolarHBondContact O-CB 3.36Å; S13-T17 PolarHBondContact O-N 3.48Å; S13-T17 PolarHBondContact O-OG1 3Å; S13-L126 VanDerWaalsContact OG-CD2 3.24Å; S13-L126 WeakPolarHBondContact OG-CD2 3.44Å
14I94.9Very high89.7Confident0 Ų061.9 Ų61.90%033%0.33CS..Hα-helixtrans-66.6-40.5175.9-63.2160000110.8E10 R11 T17 Y18 L126 F178 L181 K182 L185E10-I14 WeakPolarHBondContact O-CD1 3.47Å; E10-I14 VanDerWaalsContact O-CG1 3.29Å; E10-I14 WeakPolarHBondContact O-CG1 3.37Å; E10-I14 PolarHBondContact O-N 3.28Å; R11-I14 PolarHBondContact O-N 3.4Å; I14-T17 PolarHBondContact O-N 3.16Å; I14-Y18 VanDerWaalsContact O-CB 3.31Å; I14-Y18 WeakPolarHBondContact O-CB 3.35Å; I14-Y18 PolarHBondContact O-N 3.34Å; I14-L126 HydrophobicContact CG1-CD1 4.22Å; I14-L126 HydrophobicContact CG1-CD2 3.56Å; I14-F178 HydrophobicContact CG2-CB 4.37Å; I14-L181 HydrophobicContact CD1-CD2 3.93Å; I14-L181 HydrophobicContact CD1-CG 3.78Å; I14-L181 HydrophobicContact CG1-CD2 3.86Å; I14-L181 HydrophobicContact CG1-CG 4.25Å; I14-L181 HydrophobicContact CG2-CB 4.49Å; I14-L181 HydrophobicContact CG2-CD2 4.34Å; I14-K182 HydrophobicContact CB-CG 4.38Å; I14-K182 HydrophobicContact CG2-CD 4.36Å; I14-K182 HydrophobicContact CG2-CG 3.44Å; I14-K182 VanDerWaalsContact CG2-CG 3.44Å; I14-L185 HydrophobicContact CD1-CD1 3.3Å; I14-L185 HydrophobicContact CD1-CG 4.17Å
15E95.1Very high91.3Very high77 Ų7760.1 Ų60.136%0.3631%0.313SS..Hα-helixtrans-59.6-50.7175.5-166.260.2-12200111R11 S12 T17 Y18 E19 K182R11-E15 WeakPolarHBondContact O-CB 3.44Å; R11-E15 PolarHBondContact O-N 3.17Å; S12-E15 PolarHBondContact O-N 3.03Å; E15-T17 VanDerWaalsContact C-N 3.32Å; E15-T17 PolarHBondContact O-N 3.46Å; E15-Y18 WeakPolarHBondContact O-CB 3.46Å; E15-Y18 PolarHBondContact O-N 3.49Å; E15-Y18 VanDerWaalsContact O-N 3.13Å; E15-E19 WeakPolarHBondContact O-CG 3.47Å; E15-E19 PolarHBondContact O-N 3.3Å; E15-K182 IonicContact OE1-NZ 2.68Å; E15-K182 PolarHBondContact OE1-NZ 2.96Å; E15-K182 WeakPolarHBondContact OE2-CE 3.49Å; E15-K182 IonicContact OE2-NZ 3.54Å; E15-K182 PolarHBondContact OE2-NZ 3.44Å
16S95.5Very high92.7Very high72 Ų7259.6 Ų59.650%0.50331%0.306SS..Hα-helixtrans-61.4-40.9179.9-570000112.1S12 S13 Y18 E19 L20S12-S16 WeakPolarHBondContact O-CB 3.38Å; S12-S16 PolarHBondContact O-N 2.91Å; S12-S16 PolarHBondContact O-OG 3.08Å; S13-S16 PolarHBondContact O-N 3.38Å; S16-Y18 VanDerWaalsContact C-N 3.35Å; S16-E19 PolarHBondContact O-N 3.41Å; S16-L20 WeakPolarHBondContact O-CB 3.37Å; S16-L20 PolarHBondContact O-N 2.91Å
17T96.8Very high93.6Very high1 Ų157.1 Ų57.11%0.00629%0.291CS..Hα-helixtrans-66.1-38.6176.9-53.60000111.7S13 I14 E15 T21 L119 S122 I123 L126 F178S13-T17 WeakPolarHBondContact O-CB 3.36Å; S13-T17 PolarHBondContact O-N 3.48Å; S13-T17 PolarHBondContact O-OG1 3Å; I14-T17 PolarHBondContact O-N 3.16Å; E15-T17 VanDerWaalsContact C-N 3.32Å; E15-T17 PolarHBondContact O-N 3.46Å; T17-T21 PolarHBondContact O-N 3.19Å; T17-T21 VanDerWaalsContact O-N 3.08Å; T17-T21 PolarHBondContact O-OG1 3.34Å; T17-L119 HydrophobicContact CG2-CD1 3.74Å; T17-S122 WeakPolarHBondContact OG1-CB 3.4Å; T17-I123 HydrophobicContact CG2-CG1 4.13Å; T17-L126 HydrophobicContact CG2-CD1 3.94Å; T17-L126 WeakPolarHBondContact OG1-CD1 3.48Å; T17-F178 HydrophobicContact CG2-CD2 4.48Å; T17-F178 HydrophobicContact CG2-CE1 3.94Å; T17-F178 HydrophobicContact CG2-CE2 3.9Å; T17-F178 HydrophobicContact CG2-CZ 3.6Å
18Y97.4Very high94.6Very high42 Ų4253.6 Ų53.617%0.16527%0.273CS..Hα-helixtrans-64.5-48.2174.6168.7-94000111.7I14 E15 S16 L20 T21 K22 A175 F178 N179I14-Y18 VanDerWaalsContact O-CB 3.31Å; I14-Y18 WeakPolarHBondContact O-CB 3.35Å; I14-Y18 PolarHBondContact O-N 3.34Å; E15-Y18 WeakPolarHBondContact O-CB 3.46Å; E15-Y18 PolarHBondContact O-N 3.49Å; E15-Y18 VanDerWaalsContact O-N 3.13Å; S16-Y18 VanDerWaalsContact C-N 3.35Å; Y18-L20 VanDerWaalsContact C-N 3.34Å; Y18-L20 PolarHBondContact O-N 3.1Å; Y18-T21 WeakPolarHBondContact O-CA 3.46Å; Y18-T21 VanDerWaalsContact O-CB 3.27Å; Y18-T21 WeakPolarHBondContact O-CB 3.49Å; Y18-T21 PolarHBondContact O-N 3.38Å; Y18-T21 VanDerWaalsContact O-N 3.08Å; Y18-K22 HydrophobicContact CD1-CG 4.41Å; Y18-K22 HydrophobicContact CE1-CG 3.9Å; Y18-K22 HydrophobicContact CE2-CD 4.31Å; Y18-K22 HydrophobicContact CE2-CG 4.18Å; Y18-K22 PolarHBondContact O-N 3.43Å; Y18-A175 HydrophobicContact CD2-CB 4.39Å; Y18-A175 HydrophobicContact CE2-CB 4.02Å; Y18-F178 HydrophobicContact CD2-CB 4.21Å; Y18-N179 WeakPolarHBondContact CE2-ND2 3.48Å
19E97.6Very high95.3Very high98 Ų9857 Ų5746%0.45828%0.277SS..Hα-helixtrans-62.6-41.3179.1-70.1-55.3142.800111.7E15 S16 T21 K22 Y23E15-E19 WeakPolarHBondContact O-CG 3.47Å; E15-E19 PolarHBondContact O-N 3.3Å; S16-E19 PolarHBondContact O-N 3.41Å; E19-T21 VanDerWaalsContact C-N 3.28Å; E19-T21 PolarHBondContact O-N 2.94Å; E19-K22 PolarHBondContact O-N 3.44Å; E19-K22 VanDerWaalsContact O-N 3.14Å; E19-Y23 PolarHBondContact O-N 2.67Å
20L98Very high95.9Very high45 Ų4557.5 Ų57.524%0.23627%0.271CS..Hα-helixtrans-59.3-40.3172.8179.457.7000111.8S16 Y18 K22 Y23 L24 L119S16-L20 WeakPolarHBondContact O-CB 3.37Å; S16-L20 PolarHBondContact O-N 2.91Å; Y18-L20 VanDerWaalsContact C-N 3.34Å; Y18-L20 PolarHBondContact O-N 3.1Å; L20-K22 VanDerWaalsContact C-N 3.35Å; L20-K22 PolarHBondContact O-N 3.22Å; L20-Y23 HydrophobicContact CD1-CD1 4.29Å; L20-Y23 PolarHBondContact O-N 3.14Å; L20-L24 HydrophobicContact CD1-CD1 4.24Å; L20-L24 HydrophobicContact CD1-CG 4.24Å; L20-L24 HydrophobicContact CG-CD1 4.15Å; L20-L24 VanDerWaalsContact O-CG 3.27Å; L20-L24 WeakPolarHBondContact O-CG 3.44Å; L20-L24 PolarHBondContact O-N 2.99Å; L20-L119 HydrophobicContact CD2-CB 3.95Å; L20-L119 HydrophobicContact CD2-CD1 4.46Å; L20-L119 HydrophobicContact CG-CB 4.37Å
21T98.1Very high96.4Very high0 Ų056.9 Ų56.90%027%0.269CS..Hα-helixtrans-62-42.8175.8-56.80000111.6T17 Y18 E19 L24 E25 L119 L171 A175 F178T17-T21 PolarHBondContact O-N 3.19Å; T17-T21 VanDerWaalsContact O-N 3.08Å; T17-T21 PolarHBondContact O-OG1 3.34Å; Y18-T21 WeakPolarHBondContact O-CA 3.46Å; Y18-T21 VanDerWaalsContact O-CB 3.27Å; Y18-T21 WeakPolarHBondContact O-CB 3.49Å; Y18-T21 PolarHBondContact O-N 3.38Å; Y18-T21 VanDerWaalsContact O-N 3.08Å; E19-T21 VanDerWaalsContact C-N 3.28Å; E19-T21 PolarHBondContact O-N 2.94Å; T21-L24 PolarHBondContact O-N 3.28Å; T21-E25 PolarHBondContact O-N 2.97Å; T21-L119 WeakPolarHBondContact OG1-CD1 3.48Å; T21-L171 HydrophobicContact CG2-CB 4.46Å; T21-L171 HydrophobicContact CG2-CD2 3.97Å; T21-L171 WeakPolarHBondContact CG2-O 3.48Å; T21-A175 HydrophobicContact CG2-CB 4.36Å; T21-F178 HydrophobicContact CG2-CE2 4.5Å; T21-F178 VanDerWaalsContact OG1-CE2 3.25Å; T21-F178 WeakPolarHBondContact OG1-CE2 3.37Å
22K97.9Very high96.7Very high73 Ų7352.8 Ų52.832%0.31725%0.254SS..Hα-helixtrans-66.2-40.3177.3-69.5-58.4-56.1172.50112.3Y18 E19 L20 E25 Y26 A175Y18-K22 HydrophobicContact CD1-CG 4.41Å; Y18-K22 HydrophobicContact CE1-CG 3.9Å; Y18-K22 HydrophobicContact CE2-CD 4.31Å; Y18-K22 HydrophobicContact CE2-CG 4.18Å; Y18-K22 PolarHBondContact O-N 3.43Å; E19-K22 PolarHBondContact O-N 3.44Å; E19-K22 VanDerWaalsContact O-N 3.14Å; L20-K22 VanDerWaalsContact C-N 3.35Å; L20-K22 PolarHBondContact O-N 3.22Å; K22-E25 WeakPolarHBondContact CE-OE2 3.47Å; K22-E25 IonicContact NZ-OE1 2.82Å; K22-E25 IonicContact NZ-OE2 3.58Å; K22-E25 PolarHBondContact NZ-OE2 2.7Å; K22-E25 WeakPolarHBondContact O-CB 3.44Å; K22-E25 PolarHBondContact O-N 2.82Å; K22-Y26 PolarHBondContact O-N 2.81Å; K22-Y26 VanDerWaalsContact O-N 3.15Å; K22-A175 HydrophobicContact CD-CB 4.26Å
23Y97.9Very high96.9Very high114 Ų11453.5 Ų53.545%0.44725%0.252SS..Hα-helixtrans-60.1-47.1173.5171.8-102.4000111.6E19 L20 E25 Y26 Q27E19-Y23 PolarHBondContact O-N 2.67Å; L20-Y23 HydrophobicContact CD1-CD1 4.29Å; L20-Y23 PolarHBondContact O-N 3.14Å; Y23-E25 VanDerWaalsContact C-N 3.33Å; Y23-E25 PolarHBondContact O-N 2.84Å; Y23-Y26 PolarHBondContact O-N 3.42Å; Y23-Q27 HydrophobicContact CD1-CG 4.39Å; Y23-Q27 HydrophobicContact CD2-CG 4.41Å; Y23-Q27 HydrophobicContact CE1-CG 3.88Å; Y23-Q27 HydrophobicContact CE2-CG 3.89Å; Y23-Q27 WeakPolarHBondContact O-CG 3.05Å; Y23-Q27 PolarHBondContact O-N 3.49Å
24L98.5Very high97.1Very high1 Ų155.2 Ų55.21%0.00526%0.261CS..Hα-helixtrans-65.6-35.2177.5-67.6171000112.5L20 T21 Y26 Q27 L28 F112 L116 L119 L171L20-L24 HydrophobicContact CD1-CD1 4.24Å; L20-L24 HydrophobicContact CD1-CG 4.24Å; L20-L24 HydrophobicContact CG-CD1 4.15Å; L20-L24 VanDerWaalsContact O-CG 3.27Å; L20-L24 WeakPolarHBondContact O-CG 3.44Å; L20-L24 PolarHBondContact O-N 2.99Å; T21-L24 PolarHBondContact O-N 3.28Å; L24-Y26 VanDerWaalsContact C-N 3.32Å; L24-Y26 PolarHBondContact O-N 2.92Å; L24-Q27 PolarHBondContact O-N 3.47Å; L24-L28 VanDerWaalsContact O-CB 3.24Å; L24-L28 WeakPolarHBondContact O-CB 3.48Å; L24-L28 PolarHBondContact O-N 3.09Å; L24-F112 HydrophobicContact CB-CE2 4.05Å; L24-F112 HydrophobicContact CB-CZ 4.16Å; L24-F112 HydrophobicContact CD2-CD2 4.11Å; L24-F112 HydrophobicContact CD2-CE2 3.76Å; L24-F112 HydrophobicContact CD2-CZ 4.19Å; L24-F112 VanDerWaalsContact O-CE2 3.3Å; L24-F112 WeakPolarHBondContact O-CE2 3.33Å; L24-L116 HydrophobicContact CD1-CD2 4.24Å; L24-L119 HydrophobicContact CD1-CB 3.95Å; L24-L119 HydrophobicContact CD1-CD2 3.89Å; L24-L119 HydrophobicContact CD1-CG 4.49Å; L24-L171 HydrophobicContact CB-CD1 4.33Å; L24-L171 HydrophobicContact CB-CD2 3.81Å; L24-L171 HydrophobicContact CD1-CD2 4.48Å
25E98Very high97.2Very high42 Ų4255.7 Ų55.720%0.19626%0.263CS..Hα-helixtrans-58.8-45.4173.1-174-165.8150.700111.7T21 K22 Y23 K29 L171 W172T21-E25 PolarHBondContact O-N 2.97Å; K22-E25 WeakPolarHBondContact CE-OE2 3.47Å; K22-E25 IonicContact NZ-OE1 2.82Å; K22-E25 IonicContact NZ-OE2 3.58Å; K22-E25 PolarHBondContact NZ-OE2 2.7Å; K22-E25 WeakPolarHBondContact O-CB 3.44Å; K22-E25 PolarHBondContact O-N 2.82Å; Y23-E25 VanDerWaalsContact C-N 3.33Å; Y23-E25 PolarHBondContact O-N 2.84Å; E25-K29 PolarHBondContact O-N 3.07Å; E25-L171 HydrophobicContact CB-CB 4.32Å; E25-W172 PolarHBondContact OE1-NE1 3.48Å
26Y97.3Very high97.2Very high135 Ų13553.4 Ų53.453%0.52925%0.253SS..Hα-helixtrans-63.5-49.6177.2177.3-89.1000111.4K22 Y23 L24 L28 K29 E30K22-Y26 PolarHBondContact O-N 2.81Å; K22-Y26 VanDerWaalsContact O-N 3.15Å; Y23-Y26 PolarHBondContact O-N 3.42Å; L24-Y26 VanDerWaalsContact C-N 3.32Å; L24-Y26 PolarHBondContact O-N 2.92Å; Y26-L28 VanDerWaalsContact C-N 3.31Å; Y26-L28 PolarHBondContact O-N 3.06Å; Y26-K29 WeakPolarHBondContact O-CB 3.07Å; Y26-K29 PolarHBondContact O-N 3.28Å; Y26-K29 VanDerWaalsContact O-N 3.16Å; Y26-E30 VanDerWaalsContact CE1-CD 3.48Å; Y26-E30 HydrophobicContact CE1-CG 4.25Å; Y26-E30 WeakPolarHBondContact CE1-OE1 3.37Å; Y26-E30 PolarHBondContact O-N 2.71Å; Y26-E30 PolarHBondContact OH-OE1 3.48Å
27Q97.9Very high97.2Very high36 Ų3654.7 Ų54.717%0.16826%0.258CS..Hα-helixtrans-60.9-39.5178.8-73.2-66.8-74.300112.5Y23 L24 K29 E30 I31 F112Y23-Q27 HydrophobicContact CD1-CG 4.39Å; Y23-Q27 HydrophobicContact CD2-CG 4.41Å; Y23-Q27 HydrophobicContact CE1-CG 3.88Å; Y23-Q27 HydrophobicContact CE2-CG 3.89Å; Y23-Q27 WeakPolarHBondContact O-CG 3.05Å; Y23-Q27 PolarHBondContact O-N 3.49Å; L24-Q27 PolarHBondContact O-N 3.47Å; Q27-K29 VanDerWaalsContact C-N 3.29Å; Q27-K29 PolarHBondContact O-N 3.27Å; Q27-E30 PolarHBondContact NE2-OE2 2.97Å; Q27-E30 PolarHBondContact O-N 2.67Å; Q27-I31 WeakPolarHBondContact O-CG1 3.49Å; Q27-I31 PolarHBondContact O-N 3.45Å; Q27-F112 HydrophobicContact CB-CD2 4.02Å; Q27-F112 HydrophobicContact CB-CE2 4.07Å
28L98.3Very high97.1Very high2 Ų259.4 Ų59.41%0.0128%0.277CS..Hα-helixtrans-63.7-36.2177.8-179.562.1000112L24 Y26 I31 K32 F112 L164 L167 Q168 L171L24-L28 VanDerWaalsContact O-CB 3.24Å; L24-L28 WeakPolarHBondContact O-CB 3.48Å; L24-L28 PolarHBondContact O-N 3.09Å; Y26-L28 VanDerWaalsContact C-N 3.31Å; Y26-L28 PolarHBondContact O-N 3.06Å; L28-I31 PolarHBondContact O-N 2.83Å; L28-K32 WeakPolarHBondContact O-CB 3.29Å; L28-K32 PolarHBondContact O-N 3.06Å; L28-F112 HydrophobicContact CB-CE2 3.89Å; L28-F112 HydrophobicContact CB-CZ 3.91Å; L28-F112 HydrophobicContact CD1-CZ 4.28Å; L28-L164 HydrophobicContact CD1-CD2 3.84Å; L28-L167 HydrophobicContact CD1-CD2 3.79Å; L28-L167 HydrophobicContact CD2-CB 4.12Å; L28-L167 HydrophobicContact CD2-CD2 3.98Å; L28-L167 HydrophobicContact CD2-CG 3.79Å; L28-Q168 VanDerWaalsContact CD2-CA 3.47Å; L28-Q168 HydrophobicContact CD2-CB 3.73Å; L28-Q168 VanDerWaalsContact CD2-N 3.35Å; L28-L171 HydrophobicContact CB-CD1 4.19Å; L28-L171 HydrophobicContact CD2-CD1 3.61Å
29K96.9Very high97Very high129 Ų12958.1 Ų58.156%0.56127%0.272SS*.Hα-helixtrans-58.8-49.8176.8-176.3-176.2172.7-171.90110.6E25 Y26 Q27 I31 K32 D33E25-K29 PolarHBondContact O-N 3.07Å; Y26-K29 WeakPolarHBondContact O-CB 3.07Å; Y26-K29 PolarHBondContact O-N 3.28Å; Y26-K29 VanDerWaalsContact O-N 3.16Å; Q27-K29 VanDerWaalsContact C-N 3.29Å; Q27-K29 PolarHBondContact O-N 3.27Å; K29-I31 PolarHBondContact O-N 2.68Å; K29-K32 PolarHBondContact O-N 3.1Å; K29-D33 VanDerWaalsContact O-CG 3.29Å; K29-D33 PolarHBondContact O-N 2.84Å
30E96.6Very high96.8Very high81 Ų8154.1 Ų54.138%0.37926%0.258SS..Hα-helixtrans-60.8-46.8177.7-63.8-178156.300111.7Y26 Q27 K32 D33 V34Y26-E30 VanDerWaalsContact CE1-CD 3.48Å; Y26-E30 HydrophobicContact CE1-CG 4.25Å; Y26-E30 WeakPolarHBondContact CE1-OE1 3.37Å; Y26-E30 PolarHBondContact O-N 2.71Å; Y26-E30 PolarHBondContact OH-OE1 3.48Å; Q27-E30 PolarHBondContact NE2-OE2 2.97Å; Q27-E30 PolarHBondContact O-N 2.67Å; E30-K32 VanDerWaalsContact C-N 3.33Å; E30-K32 PolarHBondContact O-N 3.27Å; E30-D33 PolarHBondContact O-N 3.43Å; E30-V34 WeakPolarHBondContact O-CG2 3.49Å; E30-V34 PolarHBondContact O-N 3.23Å; E30-V34 VanDerWaalsContact O-N 3.12Å
31I97.6Very high96.6Very high10 Ų1056.6 Ų56.65%0.05128%0.276CS..Hα-helixtrans-60.9-42.8178.4-69.9169.1000111.4Q27 L28 K29 V34 Y35 L105 L109 F112Q27-I31 WeakPolarHBondContact O-CG1 3.49Å; Q27-I31 PolarHBondContact O-N 3.45Å; L28-I31 PolarHBondContact O-N 2.83Å; K29-I31 PolarHBondContact O-N 2.68Å; I31-V34 PolarHBondContact O-N 3.48Å; I31-Y35 VanDerWaalsContact O-CB 3.25Å; I31-Y35 WeakPolarHBondContact O-CB 3.49Å; I31-Y35 PolarHBondContact O-N 2.93Å; I31-L105 HydrophobicContact CG2-CD1 4.28Å; I31-L109 HydrophobicContact CG2-CD2 3.65Å; I31-L109 HydrophobicContact CG2-CG 4.28Å; I31-F112 HydrophobicContact CD1-CB 3.58Å; I31-F112 HydrophobicContact CD1-CD2 3.64Å; I31-F112 HydrophobicContact CD1-CG 3.76Å
32K96.4Very high96.5Very high40 Ų4058.7 Ų58.717%0.17429%0.29CS..Hα-helixtrans-64.1-44.2-179.9-175.8-175.5177.9-170.40111L28 K29 E30 V34 Y35 L36 L164L28-K32 WeakPolarHBondContact O-CB 3.29Å; L28-K32 PolarHBondContact O-N 3.06Å; K29-K32 PolarHBondContact O-N 3.1Å; E30-K32 VanDerWaalsContact C-N 3.33Å; E30-K32 PolarHBondContact O-N 3.27Å; K32-V34 VanDerWaalsContact C-N 3.34Å; K32-V34 PolarHBondContact O-N 3.27Å; K32-Y35 PolarHBondContact O-N 3.15Å; K32-L36 HydrophobicContact CG-CD1 4.18Å; K32-L36 HydrophobicContact CG-CG 4.33Å; K32-L36 VanDerWaalsContact O-CG 3.31Å; K32-L36 WeakPolarHBondContact O-CG 3.48Å; K32-L36 PolarHBondContact O-N 3.3Å; K32-L164 HydrophobicContact CB-CD1 4.49Å; K32-L164 HydrophobicContact CG-CD1 4.49Å
33D95.7Very high96.3Very high87 Ų8755.4 Ų55.447%0.46528%0.276SS..Hα-helixtrans-62.2-42.9179.2-67.9-17.3000111.2K29 E30 T37K29-D33 VanDerWaalsContact O-CG 3.29Å; K29-D33 PolarHBondContact O-N 2.84Å; E30-D33 PolarHBondContact O-N 3.43Å; D33-T37 WeakPolarHBondContact O-CB 3.31Å; D33-T37 PolarHBondContact O-N 2.96Å; D33-T37 VanDerWaalsContact O-N 3.08Å; D33-T37 PolarHBondContact O-OG1 3.32Å
34V96.4Very high96.1Very high75 Ų7553.5 Ų53.546%0.45527%0.273SS..Hα-helixtrans-64.8-43.5174175.70000111.4E30 I31 K32 T37 Y38 L105E30-V34 WeakPolarHBondContact O-CG2 3.49Å; E30-V34 PolarHBondContact O-N 3.23Å; E30-V34 VanDerWaalsContact O-N 3.12Å; I31-V34 PolarHBondContact O-N 3.48Å; K32-V34 VanDerWaalsContact C-N 3.34Å; K32-V34 PolarHBondContact O-N 3.27Å; V34-T37 PolarHBondContact O-N 2.95Å; V34-Y38 WeakPolarHBondContact O-CB 3.47Å; V34-Y38 PolarHBondContact O-N 2.88Å; V34-L105 HydrophobicContact CG1-CD1 4.45Å
35Y96.4Very high95.9Very high9 Ų958.5 Ų58.54%0.03530%0.297CS..Hα-helixtrans-60.7-49.8179.7-178-99.8000111.8I31 K32 T37 Y38 L39 L96 L105 G160 L164I31-Y35 VanDerWaalsContact O-CB 3.25Å; I31-Y35 WeakPolarHBondContact O-CB 3.49Å; I31-Y35 PolarHBondContact O-N 2.93Å; K32-Y35 PolarHBondContact O-N 3.15Å; Y35-T37 VanDerWaalsContact C-N 3.35Å; Y35-T37 PolarHBondContact O-N 3.43Å; Y35-Y38 WeakPolarHBondContact O-CB 3.29Å; Y35-Y38 PolarHBondContact O-N 3.28Å; Y35-L39 HydrophobicContact CD1-CD1 4.07Å; Y35-L39 HydrophobicContact CD1-CG 4.23Å; Y35-L39 HydrophobicContact CE1-CD1 3.39Å; Y35-L39 HydrophobicContact CE1-CD2 4.33Å; Y35-L39 HydrophobicContact CE1-CG 3.85Å; Y35-L39 HydrophobicContact CE2-CD2 4.34Å; Y35-L39 WeakPolarHBondContact O-CG 3.37Å; Y35-L39 PolarHBondContact O-N 3.48Å; Y35-L96 HydrophobicContact CE2-CD1 3.81Å; Y35-L96 HydrophobicContact CE2-CD2 4.23Å; Y35-L96 HydrophobicContact CE2-CG 4.29Å; Y35-L105 HydrophobicContact CD2-CD1 4.21Å; Y35-L105 HydrophobicContact CD2-CD2 3.54Å; Y35-L105 HydrophobicContact CD2-CG 4.38Å; Y35-L105 HydrophobicContact CE2-CD2 4.21Å; Y35-L105 HydrophobicContact CG-CD2 4.49Å; Y35-G160 WeakPolarHBondContact OH-CA 3.38Å; Y35-L164 HydrophobicContact CD1-CD1 3.47Å; Y35-L164 VanDerWaalsContact CD1-CD1 3.47Å; Y35-L164 HydrophobicContact CD2-CD1 4.31Å; Y35-L164 HydrophobicContact CE1-CD1 4.15Å; Y35-L164 HydrophobicContact CG-CD1 3.58Å
36L95.6Very high95.5Very high29 Ų2966.4 Ų66.415%0.15233%0.33CS..Hα-helixtrans-64.1-41.9179.7-64-177.9000111.2K32 Y38 L39 G40 N44 F161K32-L36 HydrophobicContact CG-CD1 4.18Å; K32-L36 HydrophobicContact CG-CG 4.33Å; K32-L36 VanDerWaalsContact O-CG 3.31Å; K32-L36 WeakPolarHBondContact O-CG 3.48Å; K32-L36 PolarHBondContact O-N 3.3Å; L36-Y38 VanDerWaalsContact C-N 3.32Å; L36-Y38 PolarHBondContact O-N 3.5Å; L36-L39 PolarHBondContact O-N 3.17Å; L36-L39 VanDerWaalsContact O-N 3.14Å; L36-G40 PolarHBondContact O-N 3.13Å; L36-N44 WeakPolarHBondContact O-CB 3.43Å; L36-F161 HydrophobicContact CD2-CD2 3.6Å; L36-F161 HydrophobicContact CD2-CE2 4.05Å
37T95.7Very high95.2Very high99 Ų9967.8 Ų67.861%0.60735%0.347SS*.Hα-helixtrans-59.2-43.5174.5-57.20000111.6D33 V34 Y35 L39 G40D33-T37 WeakPolarHBondContact O-CB 3.31Å; D33-T37 PolarHBondContact O-N 2.96Å; D33-T37 VanDerWaalsContact O-N 3.08Å; D33-T37 PolarHBondContact O-OG1 3.32Å; V34-T37 PolarHBondContact O-N 2.95Å; Y35-T37 VanDerWaalsContact C-N 3.35Å; Y35-T37 PolarHBondContact O-N 3.43Å; T37-L39 VanDerWaalsContact C-N 3.32Å; T37-L39 PolarHBondContact O-N 3.38Å; T37-G40 PolarHBondContact O-N 3.38Å
38Y94.8Very high94.9Very high101 Ų10168.7 Ų68.740%0.39635%0.35SS..Hα-helixtrans-63-35.3175.9169-111.9000112.9V34 Y35 L36 G40 T100 C102 L105V34-Y38 WeakPolarHBondContact O-CB 3.47Å; V34-Y38 PolarHBondContact O-N 2.88Å; Y35-Y38 WeakPolarHBondContact O-CB 3.29Å; Y35-Y38 PolarHBondContact O-N 3.28Å; L36-Y38 VanDerWaalsContact C-N 3.32Å; L36-Y38 PolarHBondContact O-N 3.5Å; Y38-G40 VanDerWaalsContact C-N 3.31Å; Y38-G40 PolarHBondContact O-N 2.87Å; Y38-T100 WeakPolarHBondContact CE1-OG1 3.38Å; Y38-C102 HydrophobicContact CD1-CB 4.31Å; Y38-C102 HydrophobicContact CD2-CB 3.8Å; Y38-C102 HydrophobicContact CE1-CB 4.1Å; Y38-C102 HydrophobicContact CE2-CB 3.6Å; Y38-C102 HydrophobicContact CG-CB 4.16Å; Y38-L105 HydrophobicContact CD1-CD2 3.73Å; Y38-L105 HydrophobicContact CE1-CD2 4.29Å; Y38-L105 HydrophobicContact CG-CD2 4.29Å
39L94.3Very high94.4Very high14 Ų1472 Ų727%0.07337%0.374CS..Hα-helixtrans-69.1-29.4177.5-69.1-165000113.5Y35 L36 T37 F43 K157Y35-L39 HydrophobicContact CD1-CD1 4.07Å; Y35-L39 HydrophobicContact CD1-CG 4.23Å; Y35-L39 HydrophobicContact CE1-CD1 3.39Å; Y35-L39 HydrophobicContact CE1-CD2 4.33Å; Y35-L39 HydrophobicContact CE1-CG 3.85Å; Y35-L39 HydrophobicContact CE2-CD2 4.34Å; Y35-L39 WeakPolarHBondContact O-CG 3.37Å; Y35-L39 PolarHBondContact O-N 3.48Å; L36-L39 PolarHBondContact O-N 3.17Å; L36-L39 VanDerWaalsContact O-N 3.14Å; T37-L39 VanDerWaalsContact C-N 3.32Å; T37-L39 PolarHBondContact O-N 3.38Å; L39-F43 HydrophobicContact CB-CB 3.63Å; L39-F43 HydrophobicContact CB-CD2 4.21Å; L39-F43 HydrophobicContact CB-CG 4.04Å; L39-F43 HydrophobicContact CD1-CB 3.81Å; L39-F43 HydrophobicContact CD1-CD1 3.73Å; L39-F43 HydrophobicContact CD1-CD2 4.21Å; L39-F43 HydrophobicContact CD1-CE1 4.34Å; L39-F43 HydrophobicContact CD1-CG 3.65Å; L39-F43 HydrophobicContact CG-CB 4.38Å; L39-K157 HydrophobicContact CD1-CB 4.04Å; L39-K157 HydrophobicContact CD1-CG 4.35Å; L39-K157 HydrophobicContact CD2-CB 4.31Å; L39-K157 HydrophobicContact CD2-CD 3.95Å; L39-K157 HydrophobicContact CD2-CG 3.72Å
40G94.8Very high94.1Very high15 Ų1566 Ų6616%0.15535%0.347CS..  trans68.7-172-176.300000113.5L36 T37 Y38 F43 N44L36-G40 PolarHBondContact O-N 3.13Å; T37-G40 PolarHBondContact O-N 3.38Å; Y38-G40 VanDerWaalsContact C-N 3.31Å; Y38-G40 PolarHBondContact O-N 2.87Å; G40-F43 WeakPolarHBondContact O-CA 3.47Å; G40-F43 WeakPolarHBondContact O-CB 3.21Å; G40-F43 PolarHBondContact O-N 3.02Å; G40-N44 VanDerWaalsContact C-OD1 3.22Å; G40-N44 PolarHBondContact O-N 3.42Å; G40-N44 PolarHBondContact O-OD1 3.1Å
41P94.1Very high93.7Very high96 Ų9667 Ų6762%0.62336%0.361SS*.THydrogen-bonded Turntrans-58.7142.5179.1-26.635.6000112.6N44P41-N44 VanDerWaalsContact CA-OD1 3.23Å; P41-N44 WeakPolarHBondContact CA-OD1 3.33Å; P41-N44 WeakPolarHBondContact CD-OD1 3.44Å; P41-N44 WeakPolarHBondContact CG-OD1 3.35Å
42P94.3Very high92.9Very high44 Ų4471.9 Ų71.929%0.28638%0.379SS..THydrogen-bonded Turncis-85.3-1.6-1.636-37.6000113.7N44 E45 F48P42-N44 VanDerWaalsContact C-N 3.29Å; P42-N44 PolarHBondContact O-N 3.09Å; P42-E45 WeakPolarHBondContact O-CB 3.43Å; P42-E45 PolarHBondContact O-N 3.28Å; P42-E45 VanDerWaalsContact O-N 3.09Å; P42-F48 HydrophobicContact CB-CB 4.29Å; P42-F48 HydrophobicContact CB-CD1 4.07Å; P42-F48 HydrophobicContact CB-CD2 3.59Å; P42-F48 HydrophobicContact CB-CE1 4.27Å; P42-F48 HydrophobicContact CB-CE2 3.83Å; P42-F48 HydrophobicContact CB-CG 3.71Å; P42-F48 HydrophobicContact CB-CZ 4.17Å; P42-F48 HydrophobicContact CG-CD1 4.11Å; P42-F48 HydrophobicContact CG-CD2 3.83Å; P42-F48 HydrophobicContact CG-CE1 3.79Å; P42-F48 HydrophobicContact CG-CE2 3.5Å; P42-F48 HydrophobicContact CG-CG 4.11Å; P42-F48 HydrophobicContact CG-CZ 3.48Å; P42-F48 VanDerWaalsContact CG-CZ 3.48Å; P42-F48 WeakPolarHBondContact O-CB 3.47Å; P42-F48 WeakPolarHBondContact O-CD1 3.49Å; P42-F48 VanDerWaalsContact O-CG 3.24Å; P42-F48 WeakPolarHBondContact O-CG 3.43Å
43F94.4Very high91.9Very high5 Ų571.8 Ų71.82%0.02238%0.382CS..THydrogen-bonded Turntrans-67.2-23.3-171.9-67.6-89.4000115L39 G40 F48 P50 F154 K157 V158 F161L39-F43 HydrophobicContact CB-CB 3.63Å; L39-F43 HydrophobicContact CB-CD2 4.21Å; L39-F43 HydrophobicContact CB-CG 4.04Å; L39-F43 HydrophobicContact CD1-CB 3.81Å; L39-F43 HydrophobicContact CD1-CD1 3.73Å; L39-F43 HydrophobicContact CD1-CD2 4.21Å; L39-F43 HydrophobicContact CD1-CE1 4.34Å; L39-F43 HydrophobicContact CD1-CG 3.65Å; L39-F43 HydrophobicContact CG-CB 4.38Å; G40-F43 WeakPolarHBondContact O-CA 3.47Å; G40-F43 WeakPolarHBondContact O-CB 3.21Å; G40-F43 PolarHBondContact O-N 3.02Å; F43-F48 HydrophobicContact CD1-CD1 4.46Å; F43-F48 AromaticContact CD1-CE1 3.79Å; F43-F48 HydrophobicContact CD1-CE1 3.79Å; F43-F48 AromaticContact CE1-CE1 3.97Å; F43-F48 HydrophobicContact CE1-CE1 3.97Å; F43-F48 HydrophobicContact CG-CE1 4.1Å; F43-F48 HydrophobicContact CZ-CE1 4.4Å; F43-P50 HydrophobicContact CE1-CB 4.46Å; F43-P50 HydrophobicContact CE1-CG 4.2Å; F43-F154 HydrophobicContact CE2-CD2 4.18Å; F43-F154 AromaticContact CE2-CE2 3.99Å; F43-F154 HydrophobicContact CE2-CE2 3.99Å; F43-F154 HydrophobicContact CZ-CD2 4.11Å; F43-F154 AromaticContact CZ-CE2 3.79Å; F43-F154 HydrophobicContact CZ-CE2 3.79Å; F43-K157 HydrophobicContact CD2-CD 4.41Å; F43-K157 HydrophobicContact CE1-CB 4.06Å; F43-K157 HydrophobicContact CE2-CB 3.9Å; F43-K157 HydrophobicContact CE2-CD 3.96Å; F43-K157 HydrophobicContact CZ-CB 3.59Å; F43-V158 HydrophobicContact CE1-CG2 4.03Å; F43-V158 HydrophobicContact CZ-CG2 3.91Å; F43-F161 HydrophobicContact CD1-CB 4.41Å; F43-F161 HydrophobicContact CD1-CD2 4.31Å; F43-F161 HydrophobicContact CE1-CB 4.49Å
44N93.8Very high90.3Very high73 Ų7376 Ų7639%0.3941%0.405SS..THydrogen-bonded Turntrans-90.70.2175.168.5-18.7000113.7L36 G40 P41 P42L36-N44 WeakPolarHBondContact O-CB 3.43Å; G40-N44 VanDerWaalsContact C-OD1 3.22Å; G40-N44 PolarHBondContact O-N 3.42Å; G40-N44 PolarHBondContact O-OD1 3.1Å; P41-N44 VanDerWaalsContact CA-OD1 3.23Å; P41-N44 WeakPolarHBondContact CA-OD1 3.33Å; P41-N44 WeakPolarHBondContact CD-OD1 3.44Å; P41-N44 WeakPolarHBondContact CG-OD1 3.35Å; P42-N44 VanDerWaalsContact C-N 3.29Å; P42-N44 PolarHBondContact O-N 3.09Å
45E94.9Very high88.3Confident107 Ų10777.4 Ų77.450%0.542%0.418SS..SBendtrans-82.4139.7176.7-60.9175.7-169.300110.5P42 D47 F48P42-E45 WeakPolarHBondContact O-CB 3.43Å; P42-E45 PolarHBondContact O-N 3.28Å; P42-E45 VanDerWaalsContact O-N 3.09Å; E45-D47 VanDerWaalsContact C-N 3.33Å; E45-D47 PolarHBondContact O-N 2.77Å; E45-F48 HydrophobicContact CB-CB 4.05Å; E45-F48 PolarHBondContact O-N 3.07Å
46K88.3Confident86.3Confident208 Ų20877.7 Ų77.790%0.90442%0.421SS*.THydrogen-bonded Turntrans-66.2-33.8-173.8-70.1-180-179.9175.40113.7
47D90.9Very high84.3Confident163 Ų16378.7 Ų78.787%0.87243%0.433SS*.THydrogen-bonded Turntrans-92.5-6.5-175-56.2-44.1000112.3E45 S49E45-D47 VanDerWaalsContact C-N 3.33Å; E45-D47 PolarHBondContact O-N 2.77Å; D47-S49 PolarHBondContact O-N 3.34Å
48F91.9Very high82.5Confident56 Ų5676.1 Ų76.125%0.24642%0.416CS..  trans-79.7125.3178.1-178.8-104.2000111.1P42 F43 E45 P50P42-F48 HydrophobicContact CB-CB 4.29Å; P42-F48 HydrophobicContact CB-CD1 4.07Å; P42-F48 HydrophobicContact CB-CD2 3.59Å; P42-F48 HydrophobicContact CB-CE1 4.27Å; P42-F48 HydrophobicContact CB-CE2 3.83Å; P42-F48 HydrophobicContact CB-CG 3.71Å; P42-F48 HydrophobicContact CB-CZ 4.17Å; P42-F48 HydrophobicContact CG-CD1 4.11Å; P42-F48 HydrophobicContact CG-CD2 3.83Å; P42-F48 HydrophobicContact CG-CE1 3.79Å; P42-F48 HydrophobicContact CG-CE2 3.5Å; P42-F48 HydrophobicContact CG-CG 4.11Å; P42-F48 HydrophobicContact CG-CZ 3.48Å; P42-F48 VanDerWaalsContact CG-CZ 3.48Å; P42-F48 WeakPolarHBondContact O-CB 3.47Å; P42-F48 WeakPolarHBondContact O-CD1 3.49Å; P42-F48 VanDerWaalsContact O-CG 3.24Å; P42-F48 WeakPolarHBondContact O-CG 3.43Å; F43-F48 HydrophobicContact CD1-CD1 4.46Å; F43-F48 AromaticContact CD1-CE1 3.79Å; F43-F48 HydrophobicContact CD1-CE1 3.79Å; F43-F48 AromaticContact CE1-CE1 3.97Å; F43-F48 HydrophobicContact CE1-CE1 3.97Å; F43-F48 HydrophobicContact CG-CE1 4.1Å; F43-F48 HydrophobicContact CZ-CE1 4.4Å; E45-F48 HydrophobicContact CB-CB 4.05Å; E45-F48 PolarHBondContact O-N 3.07Å; F48-P50 HydrophobicContact CE1-CB 3.94Å; F48-P50 HydrophobicContact CE1-CG 4.03Å; F48-P50 HydrophobicContact CZ-CB 3.9Å; F48-P50 HydrophobicContact CZ-CG 4.5Å
49S88.7Confident81.5Confident72 Ų7276.9 Ų76.950%0.50343%0.431SS..  trans-132.3113167.1-145.90000108.6D47 R165D47-S49 PolarHBondContact O-N 3.34Å; S49-R165 PolarHBondContact OG-NH1 3.47Å; S49-R165 VanDerWaalsContact OG-NH1 3.17Å
50P91.2Very high81Confident1 Ų177.1 Ų77.11%0.00643%0.432CS..PPolyproline II helixtrans-66.1148.4176.328.8-33.1000109.8F43 F48 V158 F161 W162F43-P50 HydrophobicContact CE1-CB 4.46Å; F43-P50 HydrophobicContact CE1-CG 4.2Å; F48-P50 HydrophobicContact CE1-CB 3.94Å; F48-P50 HydrophobicContact CE1-CG 4.03Å; F48-P50 HydrophobicContact CZ-CB 3.9Å; F48-P50 HydrophobicContact CZ-CG 4.5Å; P50-V158 HydrophobicContact CB-CB 4.45Å; P50-V158 HydrophobicContact CB-CG1 4.02Å; P50-V158 HydrophobicContact CB-CG2 3.8Å; P50-V158 HydrophobicContact CG-CG1 4.33Å; P50-V158 HydrophobicContact CG-CG2 4.45Å; P50-F161 HydrophobicContact CG-CB 4.34Å; P50-F161 HydrophobicContact CG-CD1 3.5Å; P50-F161 VanDerWaalsContact CG-CD1 3.5Å; P50-F161 HydrophobicContact CG-CD2 4.32Å; P50-F161 HydrophobicContact CG-CE1 3.79Å; P50-F161 HydrophobicContact CG-CG 3.8Å; P50-F161 HydrophobicContact CG-CZ 4.33Å; P50-W162 WeakPolarHBondContact O-CZ2 3.4Å; P50-W162 PolarHBondContact O-NE1 3Å
51P86.6Confident80.7Confident102 Ų10277.5 Ų77.566%0.66243%0.432SS*.PPolyproline II helixtrans-57149.3178.225-34.1000110.9P53 W162P51-P53 VanDerWaalsContact O-CD 3.32Å; P51-P53 WeakPolarHBondContact O-CD 3.35Å; P51-W162 PolarHBondContact O-NE1 2.9Å; P51-W162 VanDerWaalsContact O-NE1 3.08Å
52R82.6Confident80.5Confident113 Ų11375.1 Ų75.143%0.42642%0.418SS..PPolyproline II helixtrans-64.4123.3175.5-166.3173.7-177.7151.812.8108.2N54 S62 W162 E166R52-N54 PolarHBondContact O-N 2.56Å; R52-S62 PolarHBondContact NH1-OG 3.28Å; R52-S62 PolarHBondContact NH2-OG 2.85Å; R52-W162 VanDerWaalsContact CA-CE2 3.48Å; R52-W162 HydrophobicContact CB-CH2 3.33Å; R52-W162 HydrophobicContact CB-CZ2 3.42Å; R52-W162 VanDerWaalsContact CB-CZ2 3.42Å; R52-W162 HydrophobicContact CB-CZ3 4.03Å; R52-W162 HydrophobicContact CG-CD2 4.25Å; R52-W162 HydrophobicContact CG-CE3 4.04Å; R52-W162 HydrophobicContact CG-CH2 3.48Å; R52-W162 VanDerWaalsContact CG-CH2 3.48Å; R52-W162 HydrophobicContact CG-CZ2 3.87Å; R52-W162 HydrophobicContact CG-CZ3 3.6Å; R52-E166 IonicContact CZ-OE1 2.71Å; R52-E166 IonicContact NH1-OE1 2.67Å; R52-E166 IonicContact NH2-OE1 3.37Å; R52-E166 PolarHBondContact NH2-OE1 3.48Å
53P73.6Confident80.4Confident38 Ų3873.4 Ų73.425%0.24741%0.407CS..PPolyproline II helixtrans-60124.5171.520.7-29.8000109.3P51 S55 T56 V158 W162P51-P53 VanDerWaalsContact O-CD 3.32Å; P51-P53 WeakPolarHBondContact O-CD 3.35Å; P53-S55 PolarHBondContact O-N 2.78Å; P53-T56 HydrophobicContact CB-CG2 4Å; P53-T56 HydrophobicContact CG-CG2 3.5Å; P53-V158 HydrophobicContact CG-CG1 4.47Å; P53-W162 HydrophobicContact CG-CG 4.38Å
54N62.1Low80Confident175 Ų17577.1 Ų77.194%0.93644%0.438SS*.SBendtrans-64.5-21.7176.3-67.8-23.4000112R52R52-N54 PolarHBondContact O-N 2.56Å
55S54.5Low79.7Confident106 Ų10677.1 Ų77.174%0.74144%0.441SS*.  trans-145.3104176.9-156.10000109P53P53-S55 PolarHBondContact O-N 2.78Å
56T55Low79.3Confident14 Ų1479.9 Ų79.99%0.08645%0.447CS..  trans-88145.7158.939.70000108P53 L58 T59 L60 E159P53-T56 HydrophobicContact CB-CG2 4Å; P53-T56 HydrophobicContact CG-CG2 3.5Å; T56-L58 WeakPolarHBondContact CB-O 3.3Å; T56-L58 CarbonylContact O-C 3.43Å; T56-L58 PolarHBondContact O-N 3.23Å; T56-L58 VanDerWaalsContact O-N 3.15Å; T56-L58 PolarHBondContact OG1-O 2.86Å; T56-T59 PolarHBondContact O-N 2.95Å; T56-L60 HydrophobicContact CG2-CD1 4.1Å; T56-L60 HydrophobicContact CG2-CG 4.26Å; T56-L60 PolarHBondContact OG1-N 3.33Å; T56-E159 HydrophobicContact CG2-CG 4.01Å
57A54.2Low79.1Confident50 Ų5075.5 Ų75.541%0.41343%0.433SS..SBendtrans-62.4-25.6179.400000112R148A57-R148 HydrophobicContact CB-CG 4.21Å
58L57.1Low79Confident46 Ų4674.5 Ų74.524%0.24142%0.423CS..SBendtrans-101.499163.9-61.3164.6000105.1T56 L60 I88 A92T56-L58 WeakPolarHBondContact CB-O 3.3Å; T56-L58 CarbonylContact O-C 3.43Å; T56-L58 PolarHBondContact O-N 3.23Å; T56-L58 VanDerWaalsContact O-N 3.15Å; T56-L58 PolarHBondContact OG1-O 2.86Å; L58-L60 VanDerWaalsContact C-N 3.32Å; L58-L60 HydrophobicContact CB-CD2 4.34Å; L58-L60 WeakPolarHBondContact O-CA 3.24Å; L58-L60 WeakPolarHBondContact O-CG 3.25Å; L58-L60 PolarHBondContact O-N 2.85Å; L58-I88 HydrophobicContact CB-CG2 4.29Å; L58-A92 HydrophobicContact CD1-CB 3.38Å
59T73.9Confident78.8Confident117 Ų11776.7 Ų76.772%0.71844%0.437SS*.  trans-48.398172.523.60000108.9T56T56-T59 PolarHBondContact O-N 2.95Å
60L83.9Confident78.9Confident19 Ų1974.5 Ų74.510%0.09942%0.418CS..PPolyproline II helixtrans-71.4126.7-165.1-73.9179.9000108.4T56 L58 S62 L89 A92 W162 I163T56-L60 HydrophobicContact CG2-CD1 4.1Å; T56-L60 HydrophobicContact CG2-CG 4.26Å; T56-L60 PolarHBondContact OG1-N 3.33Å; L58-L60 VanDerWaalsContact C-N 3.32Å; L58-L60 HydrophobicContact CB-CD2 4.34Å; L58-L60 WeakPolarHBondContact O-CA 3.24Å; L58-L60 WeakPolarHBondContact O-CG 3.25Å; L58-L60 PolarHBondContact O-N 2.85Å; L60-S62 PolarHBondContact O-N 3.3Å; L60-L89 HydrophobicContact CD2-CD2 4.21Å; L60-A92 HydrophobicContact CD2-CB 4.13Å; L60-W162 HydrophobicContact CD1-CB 4.16Å; L60-I163 HydrophobicContact CD1-CG1 3.93Å; L60-I163 HydrophobicContact CD2-CG1 4Å
61P88.7Confident78.7Confident23 Ų2378.9 Ų78.915%0.14944%0.438CS..PPolyproline II helixtrans-65.5125.3179.628.4-34.4000108.4A85 I88 L89 W170P61-A85 HydrophobicContact CB-CB 3.96Å; P61-A85 HydrophobicContact CG-CB 3.9Å; P61-I88 HydrophobicContact CG-CB 4.28Å; P61-I88 HydrophobicContact CG-CG2 4.46Å; P61-L89 HydrophobicContact CG-CD1 4.16Å; P61-L89 HydrophobicContact CG-CD2 4.38Å; P61-L89 HydrophobicContact CG-CG 3.89Å; P61-W170 HydrophobicContact CB-CZ2 4.19Å; P61-W170 PolarHBondContact O-NE1 3.21Å
62S89.7Confident78.8Confident46 Ų4677.1 Ų77.132%0.32244%0.439SS..PPolyproline II helixtrans-84.8127.6176.3-155.90000110.9R52 L60 E166 W170R52-S62 PolarHBondContact NH1-OG 3.28Å; R52-S62 PolarHBondContact NH2-OG 2.85Å; L60-S62 PolarHBondContact O-N 3.3Å; S62-E166 WeakPolarHBondContact CA-OE2 3.46Å; S62-E166 PolarHBondContact OG-OE1 2.88Å; S62-W170 WeakPolarHBondContact O-CZ2 3.4Å
63A91.6Very high79.2Confident8 Ų873.7 Ų73.77%0.06643%0.428CS..  trans-75-19.2172.400000112.1T65 E166 S169 W170 R173A63-T65 PolarHBondContact O-N 3.14Å; A63-E166 PolarHBondContact N-OE2 3.44Å; A63-E166 VanDerWaalsContact N-OE2 3.13Å; A63-S169 VanDerWaalsContact CB-C 3.5Å; A63-W170 HydrophobicContact CB-CB 4.44Å; A63-W170 HydrophobicContact CB-CD2 3.88Å; A63-W170 HydrophobicContact CB-CG 3.8Å; A63-W170 HydrophobicContact CB-CZ2 4.49Å; A63-R173 WeakPolarHBondContact O-CD 3.33Å
64A86.9Confident80Confident82 Ų8278.5 Ų78.568%0.67845%0.447SS*.  trans-64.3122.6-179.200000110.1
65T87.3Confident81.5Confident74 Ų7471.5 Ų71.545%0.45441%0.41SS..  trans-148151.9174-151.20000108.9A63 W70A63-T65 PolarHBondContact O-N 3.14Å; T65-W70 HydrophobicContact CG2-CB 3.49Å; T65-W70 VanDerWaalsContact CG2-CB 3.49Å; T65-W70 HydrophobicContact CG2-CG 4.15Å
66R86.2Confident83.2Confident164 Ų16469.6 Ų69.662%0.61939%0.39SS*.  trans-63.3140.3179.6-63.5179.967.6-158.7-5.6109.5E68 L69 W70R66-E68 VanDerWaalsContact C-N 3.29Å; R66-E68 IonicContact NH2-OE2 2.59Å; R66-E68 PolarHBondContact O-N 3.39Å; R66-L69 HydrophobicContact CB-CB 4.38Å; R66-L69 HydrophobicContact CB-CD1 4.05Å; R66-L69 HydrophobicContact CB-CG 4.16Å; R66-L69 HydrophobicContact CG-CD1 4.36Å; R66-L69 PolarHBondContact O-N 2.65Å; R66-L69 VanDerWaalsContact O-N 3.12Å; R66-W70 PolarHBondContact O-N 3.43Å
67L84.8Confident85Confident117 Ų11770.6 Ų70.661%0.61340%0.399SS*.Hα-helixtrans-56-44.1-174.7-175.267.4000112.2W70 H71L67-W70 HydrophobicContact CD1-CE3 3.99Å; L67-W70 HydrophobicContact CD1-CZ3 4.43Å; L67-W70 WeakPolarHBondContact O-CB 3.37Å; L67-W70 PolarHBondContact O-N 3.38Å; L67-H71 WeakPolarHBondContact CD1-NE2 3.32Å; L67-H71 WeakPolarHBondContact O-CB 3.15Å; L67-H71 PolarHBondContact O-CD2 3.15Å; L67-H71 PolarHBondContact O-N 2.72Å
68E88Confident86.9Confident141 Ų14168.9 Ų68.966%0.65938%0.382SS*.Hα-helixtrans-60.1-47177.8-66167.6179.600112.1R66 W70 H71 G72R66-E68 VanDerWaalsContact C-N 3.29Å; R66-E68 IonicContact NH2-OE2 2.59Å; R66-E68 PolarHBondContact O-N 3.39Å; E68-W70 PolarHBondContact O-N 3.08Å; E68-H71 PolarHBondContact O-N 3.48Å; E68-G72 PolarHBondContact O-N 3.33Å
69L89.1Confident88.7Confident102 Ų10266.9 Ų66.953%0.53437%0.371SS..Hα-helixtrans-62.1-45.3176.9-65.9176.8000110.6R66 H71 G72 L73R66-L69 HydrophobicContact CB-CB 4.38Å; R66-L69 HydrophobicContact CB-CD1 4.05Å; R66-L69 HydrophobicContact CB-CG 4.16Å; R66-L69 HydrophobicContact CG-CD1 4.36Å; R66-L69 PolarHBondContact O-N 2.65Å; R66-L69 VanDerWaalsContact O-N 3.12Å; L69-H71 VanDerWaalsContact C-N 3.33Å; L69-H71 PolarHBondContact O-N 3.13Å; L69-G72 PolarHBondContact O-N 3.34Å; L69-L73 WeakPolarHBondContact O-CG 3.42Å; L69-L73 PolarHBondContact O-N 3.46Å
70W89.4Confident89.6Confident27 Ų2762.4 Ų62.410%0.10235%0.347CS..Hα-helixtrans-59.8-42.1176.4-177.359.7000112.5T65 R66 L67 E68 L73 R78 K176 D177T65-W70 HydrophobicContact CG2-CB 3.49Å; T65-W70 VanDerWaalsContact CG2-CB 3.49Å; T65-W70 HydrophobicContact CG2-CG 4.15Å; R66-W70 PolarHBondContact O-N 3.43Å; L67-W70 HydrophobicContact CD1-CE3 3.99Å; L67-W70 HydrophobicContact CD1-CZ3 4.43Å; L67-W70 WeakPolarHBondContact O-CB 3.37Å; L67-W70 PolarHBondContact O-N 3.38Å; E68-W70 PolarHBondContact O-N 3.08Å; W70-L73 PolarHBondContact O-N 3.5Å; W70-R78 PolarHBondContact O-NH2 3.08Å; W70-K176 HydrophobicContact CH2-CB 3.68Å; W70-K176 HydrophobicContact CH2-CD 4.24Å; W70-K176 HydrophobicContact CH2-CG 4.47Å; W70-K176 HydrophobicContact CZ2-CB 3.53Å; W70-K176 HydrophobicContact CZ2-CD 4.48Å; W70-D177 PolarHBondContact NE1-OD1 3.46Å
71H87Confident90.1Very high92 Ų9265 Ų6543%0.42636%0.358SS..Hα-helixtrans-64-41.4177.3-86.6-127.7000111.6L67 E68 L69 L73 R78 R180L67-H71 WeakPolarHBondContact CD1-NE2 3.32Å; L67-H71 WeakPolarHBondContact O-CB 3.15Å; L67-H71 PolarHBondContact O-CD2 3.15Å; L67-H71 PolarHBondContact O-N 2.72Å; E68-H71 PolarHBondContact O-N 3.48Å; L69-H71 VanDerWaalsContact C-N 3.33Å; L69-H71 PolarHBondContact O-N 3.13Å; H71-L73 VanDerWaalsContact C-N 3.27Å; H71-L73 PolarHBondContact O-N 3.47Å; H71-R78 PolarHBondContact O-NH2 3.35Å; H71-R180 PolarHBondContact CD2-NH2 2.99Å; H71-R180 PolarHBondContact CE1-NH2 3.11Å; H71-R180 PolarHBondContact ND1-NH2 3.45Å; H71-R180 VanDerWaalsContact ND1-NH2 3.14Å; H71-R180 PolarHBondContact NE2-NH2 3.15Å
72G89.1Confident90.5Very high66 Ų6663.9 Ų63.968%0.6835%0.351SS*.Hα-helixtrans-72.2-12.2179.300000115.2E68 L69E68-G72 PolarHBondContact O-N 3.33Å; L69-G72 PolarHBondContact O-N 3.34Å
73L90.7Very high90.7Very high41 Ų4162.7 Ų62.722%0.21534%0.34CS..  trans-61.1146.8176.7-67.6176.3000111.6L69 W70 H71 A77 R78 Q81L69-L73 WeakPolarHBondContact O-CG 3.42Å; L69-L73 PolarHBondContact O-N 3.46Å; W70-L73 PolarHBondContact O-N 3.5Å; H71-L73 VanDerWaalsContact C-N 3.27Å; H71-L73 PolarHBondContact O-N 3.47Å; L73-A77 HydrophobicContact CD2-CB 4.29Å; L73-R78 HydrophobicContact CB-CG 3.96Å; L73-R78 HydrophobicContact CD1-CG 4.17Å; L73-R78 PolarHBondContact O-NH1 3.14Å; L73-R78 PolarHBondContact O-NH2 3.01Å; L73-Q81 VanDerWaalsContact CD1-OE1 3.27Å
74E91.9Very high90.8Very high138 Ų13870.5 Ų70.565%0.64537%0.368SS*.  trans-80.4161.5166.5-64.4-176.5173.300111.2Q76 A77 R78E74-Q76 VanDerWaalsContact C-N 3.33Å; E74-Q76 PolarHBondContact O-N 3.39Å; E74-A77 HydrophobicContact CB-CB 4.46Å; E74-A77 PolarHBondContact O-N 2.94Å; E74-R78 WeakPolarHBondContact O-CG 3.46Å; E74-R78 PolarHBondContact O-N 3.13Å
75N91.6Very high91.2Very high28 Ų2866.6 Ų66.615%0.1534%0.336CS..Hα-helixtrans-63.1-38.8178.4-74.9-18.5000112.6R78 L79 Y132 L181N75-R78 PolarHBondContact O-N 2.94Å; N75-R78 PolarHBondContact OD1-NH1 3.46Å; N75-L79 WeakPolarHBondContact O-CG 3.44Å; N75-L79 PolarHBondContact O-N 2.81Å; N75-Y132 HydrophobicContact CB-CE2 4.44Å; N75-L181 HydrophobicContact CB-CD1 3.87Å
76Q92Very high91.7Very high67 Ų6763.1 Ų63.131%0.31331%0.314SS..Hα-helixtrans-58.3-48.3172.9-179.3172.2-7.400111.2E74 R78 L79 A80 Y132 S133E74-Q76 VanDerWaalsContact C-N 3.33Å; E74-Q76 PolarHBondContact O-N 3.39Å; Q76-R78 VanDerWaalsContact C-N 3.34Å; Q76-R78 PolarHBondContact O-N 3.08Å; Q76-L79 PolarHBondContact O-N 3.08Å; Q76-A80 WeakPolarHBondContact O-CB 3.49Å; Q76-A80 PolarHBondContact O-N 3.45Å; Q76-Y132 HydrophobicContact CB-CD1 3.65Å; Q76-Y132 HydrophobicContact CB-CD2 4.2Å; Q76-Y132 HydrophobicContact CB-CE1 3.73Å; Q76-Y132 HydrophobicContact CB-CE2 4.25Å; Q76-Y132 HydrophobicContact CB-CG 3.9Å; Q76-Y132 HydrophobicContact CG-CD1 3.78Å; Q76-Y132 HydrophobicContact CG-CD2 4.49Å; Q76-Y132 HydrophobicContact CG-CE1 4.37Å; Q76-Y132 HydrophobicContact CG-CG 3.85Å; Q76-S133 PolarHBondContact NE2-OG 3.42Å
77A92.3Very high92.1Very high34 Ų3457.9 Ų57.928%0.28130%0.303SS..Hα-helixtrans-62.3-40.8179.400000112L73 E74 Q81L73-A77 HydrophobicContact CD2-CB 4.29Å; E74-A77 HydrophobicContact CB-CB 4.46Å; E74-A77 PolarHBondContact O-N 2.94Å; A77-Q81 WeakPolarHBondContact O-CB 3.39Å; A77-Q81 WeakPolarHBondContact O-CG 3.31Å; A77-Q81 PolarHBondContact O-N 2.74Å
78R93.7Very high92.5Very high14 Ų1454.2 Ų54.25%0.05328%0.283CS..Hα-helixtrans-60.3-50.7174.2-71.4179.6-17692.313.4111.4W70 H71 L73 E74 N75 Q76 Q81 N82 D177W70-R78 PolarHBondContact O-NH2 3.08Å; H71-R78 PolarHBondContact O-NH2 3.35Å; L73-R78 HydrophobicContact CB-CG 3.96Å; L73-R78 HydrophobicContact CD1-CG 4.17Å; L73-R78 PolarHBondContact O-NH1 3.14Å; L73-R78 PolarHBondContact O-NH2 3.01Å; E74-R78 WeakPolarHBondContact O-CG 3.46Å; E74-R78 PolarHBondContact O-N 3.13Å; N75-R78 PolarHBondContact O-N 2.94Å; N75-R78 PolarHBondContact OD1-NH1 3.46Å; Q76-R78 VanDerWaalsContact C-N 3.34Å; Q76-R78 PolarHBondContact O-N 3.08Å; R78-Q81 PolarHBondContact O-N 3.45Å; R78-N82 PolarHBondContact O-N 3.38Å; R78-N82 PolarHBondContact O-ND2 3.47Å; R78-D177 HydrophobicContact CB-CB 4.25Å; R78-D177 WeakPolarHBondContact CD-OD1 3.43Å; R78-D177 IonicContact NE-OD1 3.67Å
79L94.4Very high92.8Very high4 Ų447.5 Ų47.52%0.02125%0.252CS..Hα-helixtrans-62.9-43.7-179.5-71.7170.8000111.9N75 Q76 Q81 N82 Q83 I123 M127 L130 Y132 F178 L181N75-L79 WeakPolarHBondContact O-CG 3.44Å; N75-L79 PolarHBondContact O-N 2.81Å; Q76-L79 PolarHBondContact O-N 3.08Å; L79-Q81 VanDerWaalsContact C-N 3.34Å; L79-Q81 PolarHBondContact O-N 2.96Å; L79-N82 PolarHBondContact O-N 3.27Å; L79-Q83 WeakPolarHBondContact O-CB 3.27Å; L79-Q83 PolarHBondContact O-N 2.96Å; L79-I123 HydrophobicContact CD2-CG2 4.36Å; L79-M127 HydrophobicContact CB-CE 4.4Å; L79-M127 HydrophobicContact CB-CG 3.72Å; L79-M127 HydrophobicContact CB-SD 3.99Å; L79-M127 HydrophobicContact CD1-CG 4.15Å; L79-M127 HydrophobicContact CG-CG 4.45Å; L79-L130 HydrophobicContact CD1-CD1 4.1Å; L79-Y132 HydrophobicContact CD1-CD2 3.68Å; L79-Y132 HydrophobicContact CD1-CE2 3.76Å; L79-F178 HydrophobicContact CD2-CD1 4.4Å; L79-F178 HydrophobicContact CD2-CE1 3.81Å; L79-L181 HydrophobicContact CD1-CD2 4.04Å; L79-L181 HydrophobicContact CD2-CD2 4.14Å; L79-L181 HydrophobicContact CG-CD2 4.43Å
80A93.7Very high93.2Very high24 Ų2443 Ų4320%0.19823%0.228CC..Hα-helixtrans-61.5-40.8176.300000112.4Q76 Q83 R84 M127 P135Q76-A80 WeakPolarHBondContact O-CB 3.49Å; Q76-A80 PolarHBondContact O-N 3.45Å; A80-Q83 PolarHBondContact O-N 3.36Å; A80-R84 WeakPolarHBondContact O-CB 3.47Å; A80-R84 PolarHBondContact O-N 3.37Å; A80-M127 HydrophobicContact CB-CE 4.05Å; A80-P135 HydrophobicContact CB-CG 4.09Å
81Q94.3Very high93.4Very high73 Ų7343.7 Ų43.734%0.34124%0.24SC..Hα-helixtrans-64.8-43.1174.9-76.7174.6-1.600112.1L73 A77 R78 L79 A85 W170L73-Q81 VanDerWaalsContact CD1-OE1 3.27Å; A77-Q81 WeakPolarHBondContact O-CB 3.39Å; A77-Q81 WeakPolarHBondContact O-CG 3.31Å; A77-Q81 PolarHBondContact O-N 2.74Å; R78-Q81 PolarHBondContact O-N 3.45Å; L79-Q81 VanDerWaalsContact C-N 3.34Å; L79-Q81 PolarHBondContact O-N 2.96Å; Q81-A85 VanDerWaalsContact O-CB 3.24Å; Q81-A85 WeakPolarHBondContact O-CB 3.45Å; Q81-A85 PolarHBondContact O-N 2.89Å; Q81-W170 HydrophobicContact CB-CH2 4.11Å; Q81-W170 HydrophobicContact CB-CZ3 4.36Å
82N96Very high93.7Very high0 Ų039.3 Ų39.30%022%0.22CC..Hα-helixtrans-61.7-47.9175.1-73-60.1000111.2R78 L79 R84 A85 Y86 I123 S174 D177R78-N82 PolarHBondContact O-N 3.38Å; R78-N82 PolarHBondContact O-ND2 3.47Å; L79-N82 PolarHBondContact O-N 3.27Å; N82-R84 PolarHBondContact O-N 2.87Å; N82-A85 PolarHBondContact O-N 2.85Å; N82-Y86 HydrophobicContact CB-CD2 4.31Å; N82-Y86 HydrophobicContact CB-CE2 4.2Å; N82-Y86 WeakPolarHBondContact O-CD2 3.32Å; N82-Y86 PolarHBondContact O-N 3.3Å; N82-I123 HydrophobicContact CB-CD1 4.11Å; N82-S174 WeakPolarHBondContact OD1-CB 3.4Å; N82-S174 PolarHBondContact OD1-OG 2.94Å; N82-D177 PolarHBondContact ND2-OD2 2.86Å
83Q95.4Very high94Very high20 Ų2036.1 Ų36.19%0.09319%0.187CC..Hα-helixtrans-56.2-50.7178.5-169.2-74.7-21.400111L79 A80 A85 S87 L120 I123 M127L79-Q83 WeakPolarHBondContact O-CB 3.27Å; L79-Q83 PolarHBondContact O-N 2.96Å; A80-Q83 PolarHBondContact O-N 3.36Å; Q83-A85 VanDerWaalsContact C-N 3.35Å; Q83-A85 PolarHBondContact O-N 2.89Å; Q83-S87 WeakPolarHBondContact O-CB 3.47Å; Q83-S87 PolarHBondContact O-N 3.16Å; Q83-S87 VanDerWaalsContact O-N 3.11Å; Q83-L120 VanDerWaalsContact O-CD2 3.31Å; Q83-L120 WeakPolarHBondContact O-CD2 3.24Å; Q83-I123 HydrophobicContact CB-CG2 3.95Å; Q83-I123 HydrophobicContact CG-CG2 4.5Å; Q83-M127 HydrophobicContact CB-SD 4.07Å; Q83-M127 HydrophobicContact CG-SD 4.37Å
84R93.8Very high94.2Very high172 Ų17238.3 Ų38.365%0.64919%0.193SC*.Hα-helixtrans-62.8-43.8-179.5-176.2178.6-176.2177.82.7111.4A80 N82 S87 I88A80-R84 WeakPolarHBondContact O-CB 3.47Å; A80-R84 PolarHBondContact O-N 3.37Å; N82-R84 PolarHBondContact O-N 2.87Å; R84-S87 PolarHBondContact O-N 3.43Å; R84-I88 HydrophobicContact CG-CD1 4.3Å; R84-I88 PolarHBondContact O-N 3.2Å
85A94.9Very high94.3Very high1 Ų135.1 Ų35.11%0.00818%0.178CC..Hα-helixtrans-64.6-49.1-177.100000112.1P61 Q81 N82 Q83 S87 I88 L89 W170P61-A85 HydrophobicContact CB-CB 3.96Å; P61-A85 HydrophobicContact CG-CB 3.9Å; Q81-A85 VanDerWaalsContact O-CB 3.24Å; Q81-A85 WeakPolarHBondContact O-CB 3.45Å; Q81-A85 PolarHBondContact O-N 2.89Å; N82-A85 PolarHBondContact O-N 2.85Å; Q83-A85 VanDerWaalsContact C-N 3.35Å; Q83-A85 PolarHBondContact O-N 2.89Å; A85-S87 VanDerWaalsContact C-N 3.28Å; A85-S87 PolarHBondContact O-N 3.33Å; A85-I88 PolarHBondContact O-N 2.93Å; A85-L89 WeakPolarHBondContact O-CB 3.43Å; A85-L89 VanDerWaalsContact O-CG 3.3Å; A85-L89 WeakPolarHBondContact O-CG 3.47Å; A85-L89 PolarHBondContact O-N 3.49Å; A85-W170 HydrophobicContact CB-CD2 3.41Å; A85-W170 VanDerWaalsContact CB-CD2 3.41Å; A85-W170 HydrophobicContact CB-CE3 3.63Å; A85-W170 HydrophobicContact CB-CG 4.08Å; A85-W170 HydrophobicContact CB-CH2 3.64Å; A85-W170 HydrophobicContact CB-CZ2 3.42Å; A85-W170 VanDerWaalsContact CB-CZ2 3.42Å; A85-W170 HydrophobicContact CB-CZ3 3.71Å
86Y96.9Very high94.4Very high0 Ų034.2 Ų34.20%017%0.173CC..Hα-helixtrans-65.6-30.8179.7-72.4-59000112.5N82 L90 L116 L119 L120 I123 L167 W170 L171 S174N82-Y86 HydrophobicContact CB-CD2 4.31Å; N82-Y86 HydrophobicContact CB-CE2 4.2Å; N82-Y86 WeakPolarHBondContact O-CD2 3.32Å; N82-Y86 PolarHBondContact O-N 3.3Å; Y86-L90 WeakPolarHBondContact O-CB 3.42Å; Y86-L90 PolarHBondContact O-N 3.35Å; Y86-L116 HydrophobicContact CD1-CD2 3.88Å; Y86-L116 HydrophobicContact CE1-CD2 4.18Å; Y86-L119 HydrophobicContact CD1-CD2 4.27Å; Y86-L119 HydrophobicContact CD2-CD2 4.09Å; Y86-L119 HydrophobicContact CE1-CD2 3.91Å; Y86-L119 HydrophobicContact CE2-CD2 3.73Å; Y86-L119 HydrophobicContact CE2-CG 4.46Å; Y86-L119 HydrophobicContact CG-CD2 4.37Å; Y86-L120 VanDerWaalsContact CB-CD2 3.45Å; Y86-I123 HydrophobicContact CD2-CD1 3.65Å; Y86-I123 HydrophobicContact CE2-CD1 3.93Å; Y86-L167 HydrophobicContact CD1-CD1 4.25Å; Y86-L167 HydrophobicContact CE1-CD1 4.12Å; Y86-W170 HydrophobicContact CE1-CB 4.22Å; Y86-W170 VanDerWaalsContact OH-C 3.31Å; Y86-W170 PolarHBondContact OH-O 3.31Å; Y86-L171 HydrophobicContact CE1-CD2 4.03Å; Y86-L171 HydrophobicContact CE1-CG 4.36Å; Y86-L171 VanDerWaalsContact OH-CA 3.3Å; Y86-L171 WeakPolarHBondContact OH-CA 3.45Å; Y86-L171 PolarHBondContact OH-N 3.34Å; Y86-S174 VanDerWaalsContact CE2-OG 3.24Å; Y86-S174 WeakPolarHBondContact CE2-OG 3.43Å; Y86-S174 WeakPolarHBondContact OH-CB 3.11Å; Y86-S174 PolarHBondContact OH-OG 3.47Å
87S94.8Very high94.5Very high54 Ų5431 Ų3138%0.37816%0.158SC..Hα-helixtrans-61.9-46.7174.9178.40000111.6Q83 R84 A85 A91Q83-S87 WeakPolarHBondContact O-CB 3.47Å; Q83-S87 PolarHBondContact O-N 3.16Å; Q83-S87 VanDerWaalsContact O-N 3.11Å; R84-S87 PolarHBondContact O-N 3.43Å; A85-S87 VanDerWaalsContact C-N 3.28Å; A85-S87 PolarHBondContact O-N 3.33Å; S87-A91 PolarHBondContact O-N 3.19Å
88I93.2Very high94.5Very high40 Ų4036.9 Ų36.921%0.20517%0.173CC..Hα-helixtrans-69.1-45.2178.2-61.5166.8000110.8L58 P61 R84 A85 L90 A91 A92L58-I88 HydrophobicContact CB-CG2 4.29Å; P61-I88 HydrophobicContact CG-CB 4.28Å; P61-I88 HydrophobicContact CG-CG2 4.46Å; R84-I88 HydrophobicContact CG-CD1 4.3Å; R84-I88 PolarHBondContact O-N 3.2Å; A85-I88 PolarHBondContact O-N 2.93Å; I88-L90 PolarHBondContact O-N 3.08Å; I88-A91 PolarHBondContact O-N 3.26Å; I88-A92 PolarHBondContact O-N 2.79Å
89L95Very high94.3Very high0 Ų038.2 Ų38.20%018%0.184CC..Hα-helixtrans-66.3-37.7-178.2-71.7165.4000112.3L60 P61 A85 A91 A92 V93 E166 L167 W170L60-L89 HydrophobicContact CD2-CD2 4.21Å; P61-L89 HydrophobicContact CG-CD1 4.16Å; P61-L89 HydrophobicContact CG-CD2 4.38Å; P61-L89 HydrophobicContact CG-CG 3.89Å; A85-L89 WeakPolarHBondContact O-CB 3.43Å; A85-L89 VanDerWaalsContact O-CG 3.3Å; A85-L89 WeakPolarHBondContact O-CG 3.47Å; A85-L89 PolarHBondContact O-N 3.49Å; L89-A91 VanDerWaalsContact C-N 3.35Å; L89-A91 PolarHBondContact O-N 3Å; L89-A92 WeakPolarHBondContact O-CB 3.49Å; L89-A92 PolarHBondContact O-N 2.86Å; L89-A92 VanDerWaalsContact O-N 3.13Å; L89-V93 VanDerWaalsContact O-CG2 3.31Å; L89-V93 WeakPolarHBondContact O-CG2 3.42Å; L89-V93 PolarHBondContact O-N 3.2Å; L89-E166 HydrophobicContact CD2-CB 4.26Å; L89-L167 HydrophobicContact CB-CD1 4.14Å; L89-L167 HydrophobicContact CD1-CB 4.48Å; L89-L167 HydrophobicContact CD1-CD1 3.97Å; L89-L167 HydrophobicContact CD2-CB 4.4Å; L89-W170 HydrophobicContact CD1-CB 4.14Å; L89-W170 HydrophobicContact CD1-CG 3.9Å
90L96.4Very high94.2Very high7 Ų738.6 Ų38.64%0.03719%0.187CC..Hα-helixtrans-58.8-46.6173.6170.562.4000111.3Y86 I88 A92 V93 R94 C113 L116 D117 L120Y86-L90 WeakPolarHBondContact O-CB 3.42Å; Y86-L90 PolarHBondContact O-N 3.35Å; I88-L90 PolarHBondContact O-N 3.08Å; L90-A92 VanDerWaalsContact C-N 3.26Å; L90-A92 PolarHBondContact O-N 2.95Å; L90-V93 PolarHBondContact O-N 3.28Å; L90-R94 HydrophobicContact CD1-CG 4.29Å; L90-R94 WeakPolarHBondContact O-CG 3.21Å; L90-R94 PolarHBondContact O-N 3.49Å; L90-C113 HydrophobicContact CD1-CB 3.75Å; L90-L116 HydrophobicContact CB-CD1 4.44Å; L90-L116 HydrophobicContact CD1-CB 3.98Å; L90-L116 HydrophobicContact CD1-CD1 4.37Å; L90-D117 WeakPolarHBondContact CD2-OD1 3.24Å; L90-L120 HydrophobicContact CB-CD1 4.28Å; L90-L120 HydrophobicContact CD2-CD1 3.59Å
91A93.7Very high94Very high42 Ų4244.8 Ų44.835%0.34722%0.216SC..Hα-helixtrans-59.7-40175.100000111.4S87 I88 L89 R94 E95S87-A91 PolarHBondContact O-N 3.19Å; I88-A91 PolarHBondContact O-N 3.26Å; L89-A91 VanDerWaalsContact C-N 3.35Å; L89-A91 PolarHBondContact O-N 3Å; A91-R94 PolarHBondContact O-N 3.15Å; A91-E95 PolarHBondContact O-N 2.91Å; A91-E95 VanDerWaalsContact O-N 3.07Å
92A93.3Very high94Very high0 Ų042.4 Ų42.40%021%0.207CC..Hα-helixtrans-64.9-44.3177.900000113.2L58 L60 I88 L89 L90 E95 L96 I163L58-A92 HydrophobicContact CD1-CB 3.38Å; L60-A92 HydrophobicContact CD2-CB 4.13Å; I88-A92 PolarHBondContact O-N 2.79Å; L89-A92 WeakPolarHBondContact O-CB 3.49Å; L89-A92 PolarHBondContact O-N 2.86Å; L89-A92 VanDerWaalsContact O-N 3.13Å; L90-A92 VanDerWaalsContact C-N 3.26Å; L90-A92 PolarHBondContact O-N 2.95Å; A92-E95 PolarHBondContact O-N 3.44Å; A92-L96 WeakPolarHBondContact O-CB 3.11Å; A92-L96 PolarHBondContact O-N 3.25Å; A92-I163 HydrophobicContact CB-CD1 3.76Å; A92-I163 HydrophobicContact CB-CG1 3.83Å; A92-I163 HydrophobicContact CB-CG2 3.94Å
93V96.1Very high94Very high0 Ų047.1 Ų47.10%024%0.237CC..Hα-helixtrans-68.2-37.8178.51790000111L89 L90 E95 L96 A97 L109 F112 C113 L116 I163 L167L89-V93 VanDerWaalsContact O-CG2 3.31Å; L89-V93 WeakPolarHBondContact O-CG2 3.42Å; L89-V93 PolarHBondContact O-N 3.2Å; L90-V93 PolarHBondContact O-N 3.28Å; V93-E95 VanDerWaalsContact C-N 3.3Å; V93-E95 PolarHBondContact O-N 3Å; V93-L96 WeakPolarHBondContact O-CB 3.4Å; V93-L96 PolarHBondContact O-N 3.12Å; V93-A97 WeakPolarHBondContact O-CB 3.24Å; V93-A97 PolarHBondContact O-N 3.43Å; V93-L109 HydrophobicContact CG1-CB 4.46Å; V93-L109 HydrophobicContact CG1-CD2 3.94Å; V93-F112 HydrophobicContact CG1-CD1 4.42Å; V93-C113 VanDerWaalsContact CG1-SG 3.55Å; V93-L116 HydrophobicContact CG2-CD1 4.38Å; V93-I163 HydrophobicContact CG2-CG2 3.75Å; V93-L167 HydrophobicContact CG2-CD2 3.85Å
94R95.8Very high93.9Very high86 Ų8649.8 Ų49.833%0.32526%0.258SS..Hα-helixtrans-60.1-42.5173.1-75.1175.1174.2155-3.5111.4L90 A91 A97 R98 C113 D117L90-R94 HydrophobicContact CD1-CG 4.29Å; L90-R94 WeakPolarHBondContact O-CG 3.21Å; L90-R94 PolarHBondContact O-N 3.49Å; A91-R94 PolarHBondContact O-N 3.15Å; R94-A97 PolarHBondContact O-N 2.99Å; R94-R98 WeakPolarHBondContact O-CG 3.38Å; R94-R98 PolarHBondContact O-N 3.46Å; R94-R98 VanDerWaalsContact O-N 3.08Å; R94-C113 HydrophobicContact CG-CB 4.15Å; R94-C113 VanDerWaalsContact CG-SG 3.55Å; R94-D117 IonicContact CZ-OD1 3.25Å; R94-D117 IonicContact CZ-OD2 2.79Å; R94-D117 IonicContact NH2-OD1 2.75Å; R94-D117 PolarHBondContact NH2-OD1 2.71Å; R94-D117 IonicContact NH2-OD2 3.38Å; R94-D117 PolarHBondContact NH2-OD2 3.36Å
95E92.6Very high94.1Very high72 Ų7241.6 Ų41.634%0.33623%0.227SC..Hα-helixtrans-67.6-41176.6-170.256-156.900112.1A91 A92 V93 A97 R98 S99A91-E95 PolarHBondContact O-N 2.91Å; A91-E95 VanDerWaalsContact O-N 3.07Å; A92-E95 PolarHBondContact O-N 3.44Å; V93-E95 VanDerWaalsContact C-N 3.3Å; V93-E95 PolarHBondContact O-N 3Å; E95-A97 VanDerWaalsContact C-N 3.28Å; E95-A97 PolarHBondContact O-N 3.42Å; E95-R98 PolarHBondContact O-N 2.96Å; E95-R98 VanDerWaalsContact O-N 3.11Å; E95-R98 IonicContact OE2-CZ 3.86Å; E95-R98 IonicContact OE2-NH1 2.78Å; E95-R98 PolarHBondContact OE2-NH1 3.09Å; E95-S99 WeakPolarHBondContact O-CB 3.39Å; E95-S99 PolarHBondContact O-N 2.96Å
96L93.6Very high94.2Very high9 Ų946 Ų465%0.04725%0.246CC..Hα-helixtrans-56.5-44.5173.1-176.559.6000111.3Y35 A92 V93 R98 S99 T100 L109 L164Y35-L96 HydrophobicContact CE2-CD1 3.81Å; Y35-L96 HydrophobicContact CE2-CD2 4.23Å; Y35-L96 HydrophobicContact CE2-CG 4.29Å; A92-L96 WeakPolarHBondContact O-CB 3.11Å; A92-L96 PolarHBondContact O-N 3.25Å; V93-L96 WeakPolarHBondContact O-CB 3.4Å; V93-L96 PolarHBondContact O-N 3.12Å; L96-R98 VanDerWaalsContact C-N 3.34Å; L96-R98 PolarHBondContact O-N 3.33Å; L96-S99 PolarHBondContact O-N 3.44Å; L96-S99 PolarHBondContact O-OG 2.96Å; L96-T100 PolarHBondContact O-N 3.11Å; L96-T100 VanDerWaalsContact O-N 3.12Å; L96-L109 HydrophobicContact CD2-CD1 4.41Å; L96-L109 HydrophobicContact CD2-CD2 4.27Å; L96-L109 HydrophobicContact CG-CD1 4.12Å; L96-L164 HydrophobicContact CD2-CD1 4.46Å; L96-L164 HydrophobicContact CD2-CD2 4.06Å; L96-L164 HydrophobicContact CD2-CG 4.14Å
97A95.4Very high94.2Very high0 Ų050.6 Ų50.60%027%0.274CS..Hα-helixtrans-64-34.6177.100000113.2V93 R94 E95 S99 K106 L109 L110V93-A97 WeakPolarHBondContact O-CB 3.24Å; V93-A97 PolarHBondContact O-N 3.43Å; R94-A97 PolarHBondContact O-N 2.99Å; E95-A97 VanDerWaalsContact C-N 3.28Å; E95-A97 PolarHBondContact O-N 3.42Å; A97-S99 VanDerWaalsContact C-N 3.34Å; A97-K106 WeakPolarHBondContact O-CG 3.18Å; A97-L109 HydrophobicContact CB-CB 3.68Å; A97-L109 HydrophobicContact CB-CD1 4.2Å; A97-L110 HydrophobicContact CB-CD2 3.9Å; A97-L110 HydrophobicContact CB-CG 4.07Å
98R92.4Very high94.4Very high157 Ų15750.5 Ų50.559%0.59227%0.274SS*.Hα-helixtrans-69.5-35174.1-69.7-179.8-161.61171.5112R94 E95 L96R94-R98 WeakPolarHBondContact O-CG 3.38Å; R94-R98 PolarHBondContact O-N 3.46Å; R94-R98 VanDerWaalsContact O-N 3.08Å; E95-R98 PolarHBondContact O-N 2.96Å; E95-R98 VanDerWaalsContact O-N 3.11Å; E95-R98 IonicContact OE2-CZ 3.86Å; E95-R98 IonicContact OE2-NH1 2.78Å; E95-R98 PolarHBondContact OE2-NH1 3.09Å; L96-R98 VanDerWaalsContact C-N 3.34Å; L96-R98 PolarHBondContact O-N 3.33Å
99S89.8Confident94.6Very high41 Ų4148.7 Ų48.729%0.28727%0.265SS..Hα-helixtrans-82.9-21.3-173.576.50000115E95 L96 A97E95-S99 WeakPolarHBondContact O-CB 3.39Å; E95-S99 PolarHBondContact O-N 2.96Å; L96-S99 PolarHBondContact O-N 3.44Å; L96-S99 PolarHBondContact O-OG 2.96Å; A97-S99 VanDerWaalsContact C-N 3.34Å
100T90.6Very high94.8Very high13 Ų1352.4 Ų52.48%0.0828%0.284CS..  trans-76.1138.2-179.9-172.50000111.6Y38 L96 C102 L105 K106 L109Y38-T100 WeakPolarHBondContact CE1-OG1 3.38Å; L96-T100 PolarHBondContact O-N 3.11Å; L96-T100 VanDerWaalsContact O-N 3.12Å; T100-C102 PolarHBondContact OG1-N 2.89Å; T100-L105 HydrophobicContact CG2-CD2 4.4Å; T100-L105 HydrophobicContact CG2-CG 4.38Å; T100-L105 WeakPolarHBondContact OG1-CD2 3.31Å; T100-K106 HydrophobicContact CG2-CB 3.83Å; T100-L109 HydrophobicContact CG2-CD1 4.29Å
101L90.9Very high94.8Very high154 Ų15457.4 Ų57.481%0.80631%0.307SS*.  trans-91.6-5174.7-60.9176.1000112.4P103L101-P103 VanDerWaalsContact O-CD 3.3Å; L101-P103 WeakPolarHBondContact O-CD 3.22Å
102C94.1Very high95.1Very high22 Ų2255.7 Ų55.715%0.14929%0.292CS..  trans-83.9113.3177.3-179.40000110.6Y38 T100 S104 L105 K106Y38-C102 HydrophobicContact CD1-CB 4.31Å; Y38-C102 HydrophobicContact CD2-CB 3.8Å; Y38-C102 HydrophobicContact CE1-CB 4.1Å; Y38-C102 HydrophobicContact CE2-CB 3.6Å; Y38-C102 HydrophobicContact CG-CB 4.16Å; T100-C102 PolarHBondContact OG1-N 2.89Å; C102-S104 PolarHBondContact O-N 3.47Å; C102-S104 PolarHBondContact SG-OG 3.49Å; C102-S104 VanDerWaalsContact SG-OG 3.33Å; C102-L105 HydrophobicContact CB-CB 3.85Å; C102-L105 HydrophobicContact CB-CD2 4.26Å; C102-L105 PolarHBondContact O-N 3.49Å; C102-K106 WeakPolarHBondContact O-CB 3.09Å; C102-K106 PolarHBondContact O-N 3.28Å
103P94.8Very high95.3Very high99 Ų9955.9 Ų55.964%0.64329%0.293SS*.Hα-helixtrans-64.5-40.8-173.4-24.435.7000114L101 K106 T107L101-P103 VanDerWaalsContact O-CD 3.3Å; L101-P103 WeakPolarHBondContact O-CD 3.22Å; P103-K106 WeakPolarHBondContact O-CB 3.29Å; P103-K106 PolarHBondContact O-N 3.25Å; P103-T107 PolarHBondContact O-N 3.46Å; P103-T107 PolarHBondContact O-OG1 2.89Å
104S94.9Very high95.4Very high76 Ų7660.5 Ų60.553%0.53132%0.321SS..Hα-helixtrans-63.8-47.7179510000111.3C102 K106 T107 S108C102-S104 PolarHBondContact O-N 3.47Å; C102-S104 PolarHBondContact SG-OG 3.49Å; C102-S104 VanDerWaalsContact SG-OG 3.33Å; S104-K106 VanDerWaalsContact C-N 3.33Å; S104-K106 PolarHBondContact O-N 2.93Å; S104-T107 PolarHBondContact O-N 3.37Å; S104-S108 PolarHBondContact O-N 3.36Å; S104-S108 PolarHBondContact O-OG 3.49Å
105L96.1Very high95.5Very high1 Ų157.2 Ų57.21%0.00531%0.314CS..Hα-helixtrans-61.2-41176.5176.962.8000112I31 V34 Y35 Y38 T100 C102 T107 S108 L109I31-L105 HydrophobicContact CG2-CD1 4.28Å; V34-L105 HydrophobicContact CG1-CD1 4.45Å; Y35-L105 HydrophobicContact CD2-CD1 4.21Å; Y35-L105 HydrophobicContact CD2-CD2 3.54Å; Y35-L105 HydrophobicContact CD2-CG 4.38Å; Y35-L105 HydrophobicContact CE2-CD2 4.21Å; Y35-L105 HydrophobicContact CG-CD2 4.49Å; Y38-L105 HydrophobicContact CD1-CD2 3.73Å; Y38-L105 HydrophobicContact CE1-CD2 4.29Å; Y38-L105 HydrophobicContact CG-CD2 4.29Å; T100-L105 HydrophobicContact CG2-CD2 4.4Å; T100-L105 HydrophobicContact CG2-CG 4.38Å; T100-L105 WeakPolarHBondContact OG1-CD2 3.31Å; C102-L105 HydrophobicContact CB-CB 3.85Å; C102-L105 HydrophobicContact CB-CD2 4.26Å; C102-L105 PolarHBondContact O-N 3.49Å; L105-T107 VanDerWaalsContact C-N 3.34Å; L105-T107 PolarHBondContact O-N 3.32Å; L105-S108 PolarHBondContact O-N 3.04Å; L105-L109 HydrophobicContact CD1-CD1 4.02Å; L105-L109 HydrophobicContact CD1-CG 4.1Å; L105-L109 HydrophobicContact CG-CD1 3.87Å; L105-L109 HydrophobicContact CG-CG 4.4Å; L105-L109 WeakPolarHBondContact O-CB 3.24Å; L105-L109 VanDerWaalsContact O-CG 3.26Å; L105-L109 WeakPolarHBondContact O-CG 3.29Å; L105-L109 PolarHBondContact O-N 2.88Å
106K97.2Very high95.8Very high92 Ų9253.8 Ų53.840%0.430%0.298SS..Hα-helixtrans-56.7-48.8174179.9171-177.9178.80111.2A97 T100 C102 P103 S104 L109 L110A97-K106 WeakPolarHBondContact O-CG 3.18Å; T100-K106 HydrophobicContact CG2-CB 3.83Å; C102-K106 WeakPolarHBondContact O-CB 3.09Å; C102-K106 PolarHBondContact O-N 3.28Å; P103-K106 WeakPolarHBondContact O-CB 3.29Å; P103-K106 PolarHBondContact O-N 3.25Å; S104-K106 VanDerWaalsContact C-N 3.33Å; S104-K106 PolarHBondContact O-N 2.93Å; K106-L109 PolarHBondContact O-N 3.24Å; K106-L110 HydrophobicContact CG-CD1 4.1Å; K106-L110 VanDerWaalsContact O-CG 3.32Å; K106-L110 WeakPolarHBondContact O-CG 3.45Å; K106-L110 PolarHBondContact O-N 3.32Å
107T97.8Very high96Very high97 Ų9756.3 Ų56.360%0.59531%0.312SS*.Hα-helixtrans-60.9-46.3178.1-61.60000111.7P103 S104 L105 L109 L110 H111P103-T107 PolarHBondContact O-N 3.46Å; P103-T107 PolarHBondContact O-OG1 2.89Å; S104-T107 PolarHBondContact O-N 3.37Å; L105-T107 VanDerWaalsContact C-N 3.34Å; L105-T107 PolarHBondContact O-N 3.32Å; T107-L109 PolarHBondContact O-N 2.96Å; T107-L110 PolarHBondContact O-N 3.5Å; T107-H111 WeakPolarHBondContact O-CB 3.36Å; T107-H111 PolarHBondContact O-N 3.03Å
108S98Very high96.1Very high53 Ų5358 Ų5837%0.37133%0.329SS..Hα-helixtrans-62.2-42.5177.9-58.70000112.6S104 L105 H111 F112S104-S108 PolarHBondContact O-N 3.36Å; S104-S108 PolarHBondContact O-OG 3.49Å; L105-S108 PolarHBondContact O-N 3.04Å; S108-H111 PolarHBondContact O-N 3.16Å; S108-F112 VanDerWaalsContact O-CB 3.3Å; S108-F112 WeakPolarHBondContact O-CB 3.27Å; S108-F112 PolarHBondContact O-N 3.4Å
109L98.3Very high96.4Very high1 Ų150.5 Ų50.51%0.00530%0.301CS..Hα-helixtrans-65.8-40.2177.6-71.4166.1000112.2I31 V93 L96 A97 T100 L105 K106 T107 F112 C113 L164I31-L109 HydrophobicContact CG2-CD2 3.65Å; I31-L109 HydrophobicContact CG2-CG 4.28Å; V93-L109 HydrophobicContact CG1-CB 4.46Å; V93-L109 HydrophobicContact CG1-CD2 3.94Å; L96-L109 HydrophobicContact CD2-CD1 4.41Å; L96-L109 HydrophobicContact CD2-CD2 4.27Å; L96-L109 HydrophobicContact CG-CD1 4.12Å; A97-L109 HydrophobicContact CB-CB 3.68Å; A97-L109 HydrophobicContact CB-CD1 4.2Å; T100-L109 HydrophobicContact CG2-CD1 4.29Å; L105-L109 HydrophobicContact CD1-CD1 4.02Å; L105-L109 HydrophobicContact CD1-CG 4.1Å; L105-L109 HydrophobicContact CG-CD1 3.87Å; L105-L109 HydrophobicContact CG-CG 4.4Å; L105-L109 WeakPolarHBondContact O-CB 3.24Å; L105-L109 VanDerWaalsContact O-CG 3.26Å; L105-L109 WeakPolarHBondContact O-CG 3.29Å; L105-L109 PolarHBondContact O-N 2.88Å; K106-L109 PolarHBondContact O-N 3.24Å; T107-L109 PolarHBondContact O-N 2.96Å; L109-F112 WeakPolarHBondContact O-CB 3.41Å; L109-F112 PolarHBondContact O-N 2.89Å; L109-C113 PolarHBondContact O-N 3.32Å; L109-C113 PolarHBondContact O-SG 3.41Å; L109-L164 HydrophobicContact CD2-CD2 4.35Å
110L98.2Very high96.7Very high79 Ų7949.5 Ų49.541%0.41429%0.292SS..Hα-helixtrans-67-42.6176.6-70.8175.4000111.6A97 K106 T107 F112 C113 T114A97-L110 HydrophobicContact CB-CD2 3.9Å; A97-L110 HydrophobicContact CB-CG 4.07Å; K106-L110 HydrophobicContact CG-CD1 4.1Å; K106-L110 VanDerWaalsContact O-CG 3.32Å; K106-L110 WeakPolarHBondContact O-CG 3.45Å; K106-L110 PolarHBondContact O-N 3.32Å; T107-L110 PolarHBondContact O-N 3.5Å; L110-F112 VanDerWaalsContact C-N 3.29Å; L110-F112 PolarHBondContact O-N 3.21Å; L110-C113 WeakPolarHBondContact O-CB 3.43Å; L110-C113 PolarHBondContact O-N 2.85Å; L110-C113 VanDerWaalsContact O-N 3.17Å; L110-T114 PolarHBondContact O-N 3.46Å; L110-T114 PolarHBondContact O-OG1 3.45Å
111H98.3Very high97Very high112 Ų11250.8 Ų50.852%0.51931%0.308SS..Hα-helixtrans-59.7-43.2173.3-178.7-106.2000111.3T107 S108 C113 T114 G115T107-H111 WeakPolarHBondContact O-CB 3.36Å; T107-H111 PolarHBondContact O-N 3.03Å; S108-H111 PolarHBondContact O-N 3.16Å; H111-C113 VanDerWaalsContact C-N 3.31Å; H111-C113 PolarHBondContact O-N 3.42Å; H111-T114 WeakPolarHBondContact O-CB 3.3Å; H111-T114 PolarHBondContact O-N 3.23Å; H111-G115 PolarHBondContact O-N 2.96Å
112F98.4Very high97.3Very high5 Ų545.2 Ų45.22%0.02228%0.282CS..Hα-helixtrans-61-37.7175.2-169.4-93.6000112.9L24 Q27 L28 I31 V93 S108 L109 L110 T114 G115 L116 L167 L171L24-F112 HydrophobicContact CB-CE2 4.05Å; L24-F112 HydrophobicContact CB-CZ 4.16Å; L24-F112 HydrophobicContact CD2-CD2 4.11Å; L24-F112 HydrophobicContact CD2-CE2 3.76Å; L24-F112 HydrophobicContact CD2-CZ 4.19Å; L24-F112 VanDerWaalsContact O-CE2 3.3Å; L24-F112 WeakPolarHBondContact O-CE2 3.33Å; Q27-F112 HydrophobicContact CB-CD2 4.02Å; Q27-F112 HydrophobicContact CB-CE2 4.07Å; L28-F112 HydrophobicContact CB-CE2 3.89Å; L28-F112 HydrophobicContact CB-CZ 3.91Å; L28-F112 HydrophobicContact CD1-CZ 4.28Å; I31-F112 HydrophobicContact CD1-CB 3.58Å; I31-F112 HydrophobicContact CD1-CD2 3.64Å; I31-F112 HydrophobicContact CD1-CG 3.76Å; V93-F112 HydrophobicContact CG1-CD1 4.42Å; S108-F112 VanDerWaalsContact O-CB 3.3Å; S108-F112 WeakPolarHBondContact O-CB 3.27Å; S108-F112 PolarHBondContact O-N 3.4Å; L109-F112 WeakPolarHBondContact O-CB 3.41Å; L109-F112 PolarHBondContact O-N 2.89Å; L110-F112 VanDerWaalsContact C-N 3.29Å; L110-F112 PolarHBondContact O-N 3.21Å; F112-T114 VanDerWaalsContact C-N 3.33Å; F112-T114 PolarHBondContact O-N 3.4Å; F112-G115 PolarHBondContact O-N 3.37Å; F112-G115 VanDerWaalsContact O-N 3.13Å; F112-L116 HydrophobicContact CD1-CD1 3.91Å; F112-L116 HydrophobicContact CD1-CG 4Å; F112-L116 HydrophobicContact CE1-CD1 3.6Å; F112-L116 HydrophobicContact CE1-CD2 3.96Å; F112-L116 HydrophobicContact CE1-CG 3.59Å; F112-L116 HydrophobicContact CZ-CD2 4.37Å; F112-L116 HydrophobicContact CZ-CG 4.36Å; F112-L116 PolarHBondContact O-N 3.36Å; F112-L167 HydrophobicContact CD1-CD2 4.3Å; F112-L167 HydrophobicContact CE1-CD2 3.38Å; F112-L167 HydrophobicContact CE1-CG 4.35Å; F112-L167 HydrophobicContact CZ-CD2 3.96Å; F112-L171 HydrophobicContact CZ-CD1 4.28Å
113C98.4Very high97.4Very high4 Ų444.2 Ų44.23%0.02728%0.275CS..Hα-helixtrans-59-42.4174.7-68.70000112L90 V93 R94 L109 L110 H111 G115 L116 D117L90-C113 HydrophobicContact CD1-CB 3.75Å; V93-C113 VanDerWaalsContact CG1-SG 3.55Å; R94-C113 HydrophobicContact CG-CB 4.15Å; R94-C113 VanDerWaalsContact CG-SG 3.55Å; L109-C113 PolarHBondContact O-N 3.32Å; L109-C113 PolarHBondContact O-SG 3.41Å; L110-C113 WeakPolarHBondContact O-CB 3.43Å; L110-C113 PolarHBondContact O-N 2.85Å; L110-C113 VanDerWaalsContact O-N 3.17Å; H111-C113 VanDerWaalsContact C-N 3.31Å; H111-C113 PolarHBondContact O-N 3.42Å; C113-G115 PolarHBondContact O-N 2.99Å; C113-L116 WeakPolarHBondContact O-CB 3.47Å; C113-L116 PolarHBondContact O-N 3.35Å; C113-L116 VanDerWaalsContact O-N 3.09Å; C113-D117 PolarHBondContact O-N 2.65Å; C113-D117 VanDerWaalsContact O-OD2 3.04Å
114T98.3Very high97.4Very high97 Ų9741 Ų4160%0.59526%0.255SS*.Hα-helixtrans-57.2-40.3175.2-52.70000111.7L110 H111 F112 D117 G118L110-T114 PolarHBondContact O-N 3.46Å; L110-T114 PolarHBondContact O-OG1 3.45Å; H111-T114 WeakPolarHBondContact O-CB 3.3Å; H111-T114 PolarHBondContact O-N 3.23Å; F112-T114 VanDerWaalsContact C-N 3.33Å; F112-T114 PolarHBondContact O-N 3.4Å; T114-D117 PolarHBondContact O-N 2.98Å; T114-G118 PolarHBondContact O-N 2.6Å
115G98Very high97.3Very high17 Ų1739.9 Ų39.918%0.17525%0.25CS..Hα-helixtrans-65.7-40.7174.900000113.3H111 F112 C113 G118 L119H111-G115 PolarHBondContact O-N 2.96Å; F112-G115 PolarHBondContact O-N 3.37Å; F112-G115 VanDerWaalsContact O-N 3.13Å; C113-G115 PolarHBondContact O-N 2.99Å; G115-G118 PolarHBondContact O-N 3.15Å; G115-L119 PolarHBondContact O-N 3.41Å
116L98.1Very high97.2Very high0 Ų039.8 Ų39.80%025%0.25CC..Hα-helixtrans-65.6-40.2174.1-75.2-179.9000113.2L24 Y86 L90 V93 F112 C113 G118 L119 L120 L167L24-L116 HydrophobicContact CD1-CD2 4.24Å; Y86-L116 HydrophobicContact CD1-CD2 3.88Å; Y86-L116 HydrophobicContact CE1-CD2 4.18Å; L90-L116 HydrophobicContact CB-CD1 4.44Å; L90-L116 HydrophobicContact CD1-CB 3.98Å; L90-L116 HydrophobicContact CD1-CD1 4.37Å; V93-L116 HydrophobicContact CG2-CD1 4.38Å; F112-L116 HydrophobicContact CD1-CD1 3.91Å; F112-L116 HydrophobicContact CD1-CG 4Å; F112-L116 HydrophobicContact CE1-CD1 3.6Å; F112-L116 HydrophobicContact CE1-CD2 3.96Å; F112-L116 HydrophobicContact CE1-CG 3.59Å; F112-L116 HydrophobicContact CZ-CD2 4.37Å; F112-L116 HydrophobicContact CZ-CG 4.36Å; F112-L116 PolarHBondContact O-N 3.36Å; C113-L116 WeakPolarHBondContact O-CB 3.47Å; C113-L116 PolarHBondContact O-N 3.35Å; C113-L116 VanDerWaalsContact O-N 3.09Å; L116-G118 VanDerWaalsContact C-N 3.3Å; L116-L119 PolarHBondContact O-N 3.1Å; L116-L120 WeakPolarHBondContact O-CB 3.13Å; L116-L120 PolarHBondContact O-N 2.75Å; L116-L167 HydrophobicContact CD1-CD1 4.19Å; L116-L167 HydrophobicContact CD1-CD2 4.36Å; L116-L167 HydrophobicContact CD2-CD1 3.94Å
117D97.9Very high97Very high63 Ų6335.5 Ų35.534%0.33723%0.231SC..Hα-helixtrans-57.9-45.5171.6-78.8-69.8000110.7L90 R94 C113 T114 L119 L120 G121L90-D117 WeakPolarHBondContact CD2-OD1 3.24Å; R94-D117 IonicContact CZ-OD1 3.25Å; R94-D117 IonicContact CZ-OD2 2.79Å; R94-D117 IonicContact NH2-OD1 2.75Å; R94-D117 PolarHBondContact NH2-OD1 2.71Å; R94-D117 IonicContact NH2-OD2 3.38Å; R94-D117 PolarHBondContact NH2-OD2 3.36Å; C113-D117 PolarHBondContact O-N 2.65Å; C113-D117 VanDerWaalsContact O-OD2 3.04Å; T114-D117 PolarHBondContact O-N 2.98Å; D117-L119 PolarHBondContact O-N 3.27Å; D117-L120 WeakPolarHBondContact O-CB 3.18Å; D117-L120 PolarHBondContact O-N 3.35Å; D117-G121 PolarHBondContact O-N 3.06Å
118G97.9Very high96.7Very high34 Ų3436 Ų3635%0.35123%0.231SC..Hα-helixtrans-57.4-47.5174.500000112.3T114 G115 L116 L120 G121 S122T114-G118 PolarHBondContact O-N 2.6Å; G115-G118 PolarHBondContact O-N 3.15Å; L116-G118 VanDerWaalsContact C-N 3.3Å; G118-L120 PolarHBondContact O-N 3.32Å; G118-G121 PolarHBondContact O-N 3.49Å; G118-S122 PolarHBondContact O-N 2.94Å; G118-S122 PolarHBondContact O-OG 2.95Å; G118-S122 VanDerWaalsContact O-OG 3.1Å
119L98.3Very high96.3Very high0 Ų036.1 Ų36.10%023%0.231CC..Hα-helixtrans-61.7-43177.7177.862000112T17 L20 T21 L24 Y86 G115 L116 D117 G121 S122 I123 L171T17-L119 HydrophobicContact CG2-CD1 3.74Å; L20-L119 HydrophobicContact CD2-CB 3.95Å; L20-L119 HydrophobicContact CD2-CD1 4.46Å; L20-L119 HydrophobicContact CG-CB 4.37Å; T21-L119 WeakPolarHBondContact OG1-CD1 3.48Å; L24-L119 HydrophobicContact CD1-CB 3.95Å; L24-L119 HydrophobicContact CD1-CD2 3.89Å; L24-L119 HydrophobicContact CD1-CG 4.49Å; Y86-L119 HydrophobicContact CD1-CD2 4.27Å; Y86-L119 HydrophobicContact CD2-CD2 4.09Å; Y86-L119 HydrophobicContact CE1-CD2 3.91Å; Y86-L119 HydrophobicContact CE2-CD2 3.73Å; Y86-L119 HydrophobicContact CE2-CG 4.46Å; Y86-L119 HydrophobicContact CG-CD2 4.37Å; G115-L119 PolarHBondContact O-N 3.41Å; L116-L119 PolarHBondContact O-N 3.1Å; D117-L119 PolarHBondContact O-N 3.27Å; L119-G121 VanDerWaalsContact C-N 3.33Å; L119-G121 PolarHBondContact O-N 2.74Å; L119-S122 PolarHBondContact O-N 2.59Å; L119-I123 HydrophobicContact CD1-CD1 4.08Å; L119-I123 HydrophobicContact CD1-CG1 4.28Å; L119-I123 HydrophobicContact CG-CD1 3.92Å; L119-I123 VanDerWaalsContact O-CG1 3.29Å; L119-I123 WeakPolarHBondContact O-CG1 3.4Å; L119-I123 PolarHBondContact O-N 3.39Å; L119-L171 HydrophobicContact CD2-CD2 4.27Å
120L97.1Very high95.9Very high20 Ų2037.3 Ų37.311%0.10524%0.237CC..Hα-helixtrans-60.3-43174.7-85.2171.1000112.3Q83 Y86 L90 L116 D117 G118 I123 S124Q83-L120 VanDerWaalsContact O-CD2 3.31Å; Q83-L120 WeakPolarHBondContact O-CD2 3.24Å; Y86-L120 VanDerWaalsContact CB-CD2 3.45Å; L90-L120 HydrophobicContact CB-CD1 4.28Å; L90-L120 HydrophobicContact CD2-CD1 3.59Å; L116-L120 WeakPolarHBondContact O-CB 3.13Å; L116-L120 PolarHBondContact O-N 2.75Å; D117-L120 WeakPolarHBondContact O-CB 3.18Å; D117-L120 PolarHBondContact O-N 3.35Å; G118-L120 PolarHBondContact O-N 3.32Å; L120-I123 PolarHBondContact O-N 2.91Å; L120-S124 WeakPolarHBondContact O-CB 3.41Å; L120-S124 PolarHBondContact O-N 3.14Å; L120-S124 PolarHBondContact O-OG 3.03Å
121G96.3Very high95.5Very high41 Ų4136.8 Ų36.842%0.42325%0.251SS..Hα-helixtrans-59.9-47.7174.100000111.6D117 G118 L119 I123 S124 A125D117-G121 PolarHBondContact O-N 3.06Å; G118-G121 PolarHBondContact O-N 3.49Å; L119-G121 VanDerWaalsContact C-N 3.33Å; L119-G121 PolarHBondContact O-N 2.74Å; G121-I123 PolarHBondContact O-N 3.4Å; G121-S124 PolarHBondContact O-N 3.42Å; G121-A125 WeakPolarHBondContact O-CB 3.45Å; G121-A125 PolarHBondContact O-N 3.28Å
122S96.9Very high95.1Very high37 Ų3733.4 Ų33.426%0.25923%0.234SC..Hα-helixtrans-62-43.3177.8-58.50000112.8T17 G118 L119 S124 A125 L126T17-S122 WeakPolarHBondContact OG1-CB 3.4Å; G118-S122 PolarHBondContact O-N 2.94Å; G118-S122 PolarHBondContact O-OG 2.95Å; G118-S122 VanDerWaalsContact O-OG 3.1Å; L119-S122 PolarHBondContact O-N 2.59Å; S122-S124 VanDerWaalsContact C-N 3.34Å; S122-S124 PolarHBondContact O-N 2.96Å; S122-A125 PolarHBondContact O-N 3.48Å; S122-L126 WeakPolarHBondContact O-CG 3.41Å; S122-L126 PolarHBondContact O-N 3.28Å
123I96.3Very high94.1Very high0 Ų037.3 Ų37.30%026%0.262CS..Hα-helixtrans-62.2-44.5175.4-68164.1000110.4T17 L79 N82 Q83 Y86 L119 L120 G121 A125 L126 M127 F178T17-I123 HydrophobicContact CG2-CG1 4.13Å; L79-I123 HydrophobicContact CD2-CG2 4.36Å; N82-I123 HydrophobicContact CB-CD1 4.11Å; Q83-I123 HydrophobicContact CB-CG2 3.95Å; Q83-I123 HydrophobicContact CG-CG2 4.5Å; Y86-I123 HydrophobicContact CD2-CD1 3.65Å; Y86-I123 HydrophobicContact CE2-CD1 3.93Å; L119-I123 HydrophobicContact CD1-CD1 4.08Å; L119-I123 HydrophobicContact CD1-CG1 4.28Å; L119-I123 HydrophobicContact CG-CD1 3.92Å; L119-I123 VanDerWaalsContact O-CG1 3.29Å; L119-I123 WeakPolarHBondContact O-CG1 3.4Å; L119-I123 PolarHBondContact O-N 3.39Å; L120-I123 PolarHBondContact O-N 2.91Å; G121-I123 PolarHBondContact O-N 3.4Å; I123-A125 VanDerWaalsContact C-N 3.34Å; I123-A125 PolarHBondContact O-N 3.36Å; I123-L126 WeakPolarHBondContact O-CB 3.48Å; I123-L126 PolarHBondContact O-N 3.31Å; I123-M127 HydrophobicContact CG2-CG 4.4Å; I123-M127 HydrophobicContact CG2-SD 4.15Å; I123-M127 VanDerWaalsContact O-CG 3.29Å; I123-M127 WeakPolarHBondContact O-CG 3.5Å; I123-M127 PolarHBondContact O-N 2.87Å; I123-F178 HydrophobicContact CD1-CZ 4.1Å; I123-F178 HydrophobicContact CG1-CE1 4.31Å; I123-F178 HydrophobicContact CG1-CZ 3.85Å
124S94.8Very high92.6Very high32 Ų3239.6 Ų39.622%0.22428%0.278CS..Hα-helixtrans-63.3-41.5179.6-55.60000111.4L120 G121 S122 M127 N128L120-S124 WeakPolarHBondContact O-CB 3.41Å; L120-S124 PolarHBondContact O-N 3.14Å; L120-S124 PolarHBondContact O-OG 3.03Å; G121-S124 PolarHBondContact O-N 3.42Å; S122-S124 VanDerWaalsContact C-N 3.34Å; S122-S124 PolarHBondContact O-N 2.96Å; S124-M127 PolarHBondContact O-N 3.21Å; S124-N128 PolarHBondContact O-N 3.39Å; S124-N128 PolarHBondContact O-ND2 2.92Å
125A93.4Very high91Very high52 Ų5236.9 Ų36.943%0.4326%0.262SS..Hα-helixtrans-62.6-43174.600000112G121 S122 I123 N128 S129G121-A125 WeakPolarHBondContact O-CB 3.45Å; G121-A125 PolarHBondContact O-N 3.28Å; S122-A125 PolarHBondContact O-N 3.48Å; I123-A125 VanDerWaalsContact C-N 3.34Å; I123-A125 PolarHBondContact O-N 3.36Å; A125-N128 PolarHBondContact O-N 3.48Å; A125-S129 PolarHBondContact O-N 2.85Å
126L93.4Very high88.9Confident0 Ų040.4 Ų40.40%029%0.29CS..Hα-helixtrans-62-41.7174.2-79.1176.4000112.5S13 I14 T17 S122 I123 N128 S129 L130S13-L126 VanDerWaalsContact OG-CD2 3.24Å; S13-L126 WeakPolarHBondContact OG-CD2 3.44Å; I14-L126 HydrophobicContact CG1-CD1 4.22Å; I14-L126 HydrophobicContact CG1-CD2 3.56Å; T17-L126 HydrophobicContact CG2-CD1 3.94Å; T17-L126 WeakPolarHBondContact OG1-CD1 3.48Å; S122-L126 WeakPolarHBondContact O-CG 3.41Å; S122-L126 PolarHBondContact O-N 3.28Å; I123-L126 WeakPolarHBondContact O-CB 3.48Å; I123-L126 PolarHBondContact O-N 3.31Å; L126-N128 VanDerWaalsContact C-N 3.33Å; L126-N128 PolarHBondContact O-N 3.43Å; L126-S129 PolarHBondContact O-N 2.97Å; L126-S129 PolarHBondContact O-OG 3.48Å; L126-S129 VanDerWaalsContact O-OG 3.13Å; L126-L130 WeakPolarHBondContact O-CB 3.29Å; L126-L130 WeakPolarHBondContact O-CG 3.3Å; L126-L130 PolarHBondContact O-N 3.24Å; L126-L130 VanDerWaalsContact O-N 3.08Å
127M92.8Very high86.7Confident1 Ų148.4 Ų48.41%0.00533%0.327CS..Hα-helixtrans-60.9-46.4176.8-69.9-177.572.700110.6L79 A80 Q83 I123 S124 L130 G131 Y132 P135L79-M127 HydrophobicContact CB-CE 4.4Å; L79-M127 HydrophobicContact CB-CG 3.72Å; L79-M127 HydrophobicContact CB-SD 3.99Å; L79-M127 HydrophobicContact CD1-CG 4.15Å; L79-M127 HydrophobicContact CG-CG 4.45Å; A80-M127 HydrophobicContact CB-CE 4.05Å; Q83-M127 HydrophobicContact CB-SD 4.07Å; Q83-M127 HydrophobicContact CG-SD 4.37Å; I123-M127 HydrophobicContact CG2-CG 4.4Å; I123-M127 HydrophobicContact CG2-SD 4.15Å; I123-M127 VanDerWaalsContact O-CG 3.29Å; I123-M127 WeakPolarHBondContact O-CG 3.5Å; I123-M127 PolarHBondContact O-N 2.87Å; S124-M127 PolarHBondContact O-N 3.21Å; M127-L130 PolarHBondContact O-N 2.84Å; M127-G131 PolarHBondContact O-N 2.75Å; M127-Y132 WeakPolarHBondContact O-CA 3.42Å; M127-Y132 WeakPolarHBondContact O-CB 3.46Å; M127-Y132 PolarHBondContact O-N 3.08Å; M127-P135 VanDerWaalsContact CE-CD 3.42Å
128N91.6Very high84.1Confident109 Ų10949.2 Ų49.258%0.58334%0.343SS*.Hα-helixtrans-63.1-45.1177.9-69.1-23.3000112.6S124 A125 L126 L130 G131S124-N128 PolarHBondContact O-N 3.39Å; S124-N128 PolarHBondContact O-ND2 2.92Å; A125-N128 PolarHBondContact O-N 3.48Å; L126-N128 VanDerWaalsContact C-N 3.33Å; L126-N128 PolarHBondContact O-N 3.43Å; N128-L130 VanDerWaalsContact C-N 3.25Å; N128-L130 PolarHBondContact O-N 3.35Å; N128-G131 PolarHBondContact O-N 3.48Å; N128-G131 VanDerWaalsContact O-N 3.14Å
129S90.2Very high81.3Confident54 Ų5451.4 Ų51.438%0.37836%0.357SS..Hα-helixtrans-64.3-33.6-179.273.60000112.1A125 L126 G131A125-S129 PolarHBondContact O-N 2.85Å; L126-S129 PolarHBondContact O-N 2.97Å; L126-S129 PolarHBondContact O-OG 3.48Å; L126-S129 VanDerWaalsContact O-OG 3.13Å; S129-G131 VanDerWaalsContact C-N 3.26Å; S129-G131 PolarHBondContact O-N 3.41Å
130L89.1Confident78.8Confident26 Ų2656 Ų5614%0.13640%0.395CS..THydrogen-bonded Turntrans-85.15.4178.8-61.6-178.5000113.9E10 L79 L126 M127 N128 Y132 L181 R184E10-L130 VanDerWaalsContact CD-CD2 3.49Å; E10-L130 HydrophobicContact CG-CD2 4.1Å; E10-L130 WeakPolarHBondContact OE2-CD2 3.23Å; L79-L130 HydrophobicContact CD1-CD1 4.1Å; L126-L130 WeakPolarHBondContact O-CB 3.29Å; L126-L130 WeakPolarHBondContact O-CG 3.3Å; L126-L130 PolarHBondContact O-N 3.24Å; L126-L130 VanDerWaalsContact O-N 3.08Å; M127-L130 PolarHBondContact O-N 2.84Å; N128-L130 VanDerWaalsContact C-N 3.25Å; N128-L130 PolarHBondContact O-N 3.35Å; L130-Y132 HydrophobicContact CB-CD2 3.71Å; L130-Y132 HydrophobicContact CB-CE2 3.71Å; L130-Y132 HydrophobicContact CB-CG 4.28Å; L130-Y132 HydrophobicContact CD1-CD2 4.25Å; L130-Y132 HydrophobicContact CD1-CE2 3.79Å; L130-Y132 HydrophobicContact CG-CE2 4.42Å; L130-Y132 PolarHBondContact O-N 3.21Å; L130-L181 HydrophobicContact CD1-CD1 4Å; L130-L181 HydrophobicContact CD1-CD2 4.13Å; L130-R184 VanDerWaalsContact CD1-NH2 3.31Å
131G89.4Confident76.2Confident68 Ų6856.9 Ų56.970%0.70141%0.409SS*.THydrogen-bonded Turntrans69.516.7-179.100000114M127 N128 S129M127-G131 PolarHBondContact O-N 2.75Å; N128-G131 PolarHBondContact O-N 3.48Å; N128-G131 VanDerWaalsContact O-N 3.14Å; S129-G131 VanDerWaalsContact C-N 3.26Å; S129-G131 PolarHBondContact O-N 3.41Å
132Y89.8Confident73.3Confident41 Ų4163.8 Ų63.816%0.16143%0.43CS..PPolyproline II helixtrans-81125.9175.5-61.5-34.7000109.9N75 Q76 L79 M127 L130 S134 R184N75-Y132 HydrophobicContact CB-CE2 4.44Å; Q76-Y132 HydrophobicContact CB-CD1 3.65Å; Q76-Y132 HydrophobicContact CB-CD2 4.2Å; Q76-Y132 HydrophobicContact CB-CE1 3.73Å; Q76-Y132 HydrophobicContact CB-CE2 4.25Å; Q76-Y132 HydrophobicContact CB-CG 3.9Å; Q76-Y132 HydrophobicContact CG-CD1 3.78Å; Q76-Y132 HydrophobicContact CG-CD2 4.49Å; Q76-Y132 HydrophobicContact CG-CE1 4.37Å; Q76-Y132 HydrophobicContact CG-CG 3.85Å; L79-Y132 HydrophobicContact CD1-CD2 3.68Å; L79-Y132 HydrophobicContact CD1-CE2 3.76Å; M127-Y132 WeakPolarHBondContact O-CA 3.42Å; M127-Y132 WeakPolarHBondContact O-CB 3.46Å; M127-Y132 PolarHBondContact O-N 3.08Å; L130-Y132 HydrophobicContact CB-CD2 3.71Å; L130-Y132 HydrophobicContact CB-CE2 3.71Å; L130-Y132 HydrophobicContact CB-CG 4.28Å; L130-Y132 HydrophobicContact CD1-CD2 4.25Å; L130-Y132 HydrophobicContact CD1-CE2 3.79Å; L130-Y132 HydrophobicContact CG-CE2 4.42Å; L130-Y132 PolarHBondContact O-N 3.21Å; Y132-S134 PolarHBondContact O-N 2.89Å; Y132-S134 VanDerWaalsContact O-N 3.15Å; Y132-R184 PolarHBondContact OH-NH1 3.14Å
133S78.1Confident70.7Confident87 Ų8766.2 Ų66.261%0.60845%0.447SS*.PPolyproline II helixtrans-58.9121.1169.637.10000108.8Q76Q76-S133 PolarHBondContact NE2-OG 3.42Å
134S66.7Low68.2Low52 Ų5273 Ų7336%0.36448%0.483SS..PPolyproline II helixtrans-52.7127.7167.2-173.40000106.9Y132 A136Y132-S134 PolarHBondContact O-N 2.89Å; Y132-S134 VanDerWaalsContact O-N 3.15Å; S134-A136 PolarHBondContact O-N 3.22Å
135P64.3Low65.9Low41 Ų4179 Ų7927%0.26651%0.512SS..PPolyproline II helixtrans-51.3124.3172.120.8-30.9000105.4A80 M127 Q137A80-P135 HydrophobicContact CB-CG 4.09Å; M127-P135 VanDerWaalsContact CE-CD 3.42Å; P135-Q137 PolarHBondContact O-N 2.83Å
136A54.3Low63.4Low91 Ų9180 Ų8075%0.75252%0.52SS*.  trans-43.1124.2171.700000105.1S134 A138S134-A136 PolarHBondContact O-N 3.22Å; A136-A138 PolarHBondContact O-N 3.31Å
137Q51.6Low61.2Low167 Ų16784.5 Ų84.578%0.7856%0.557SS**  trans-56.991.1168.6-75.5179.910.900103.3P135 A139P135-Q137 PolarHBondContact O-N 2.83Å; Q137-A139 PolarHBondContact O-N 3.46Å
138A43.2Very low59.5Low81 Ų8188.5 Ų88.567%0.66957%0.572SS**  trans-58.3103.9170.700000100.6A136 A140A136-A138 PolarHBondContact O-N 3.31Å; A138-A140 VanDerWaalsContact C-N 3.32Å; A138-A140 WeakPolarHBondContact O-CA 3.47Å; A138-A140 PolarHBondContact O-N 2.82Å
139A40.8Very low58.1Low79 Ų7988.6 Ų88.665%0.65358%0.579SS**  trans-37.7104.7-167.600000106.2Q137 G141Q137-A139 PolarHBondContact O-N 3.46Å; A139-G141 PolarHBondContact O-N 3.41Å
140A44.5Very low57Low96 Ų9693 Ų9379%0.79360%0.603SS**  trans-73.683.7-173.500000104.4A138A138-A140 VanDerWaalsContact C-N 3.32Å; A138-A140 WeakPolarHBondContact O-CA 3.47Å; A138-A140 PolarHBondContact O-N 2.82Å
141G42.3Very low56.3Low39 Ų3994.8 Ų94.840%0.40261%0.612SS.*  trans46.993.6-178.800000113.2A139 S143A139-G141 PolarHBondContact O-N 3.41Å; G141-S143 PolarHBondContact O-N 3.43Å
142E36.8Very low56.1Low187 Ų18796.5 Ų96.587%0.87461%0.605SS**THydrogen-bonded Turntrans-46.4106.2132.2-77.4179.1157.500106.8
143S42.2Very low55.9Low88 Ų8899.5 Ų99.562%0.61562%0.624SS**THydrogen-bonded Turntrans53.964.4168.5-150.90000117.9G141G141-S143 PolarHBondContact O-N 3.43Å
144L43.7Very low56.4Low143 Ų143100.7 Ų100.775%0.74962%0.618SS**SBendtrans-84.3-0.1149.3-93.4163000112.4A146L144-A146 PolarHBondContact O-N 3.09Å
145L46.2Very low57.3Low157 Ų15799.8 Ų99.882%0.82261%0.614SS**  trans-74.8-11172.2-63.8177.4000112.6A147L145-A147 PolarHBondContact O-N 3Å; L145-A147 VanDerWaalsContact O-N 3.09Å
146A41.4Very low58.4Low73 Ų73102.3 Ų102.360%0.60362%0.618SS**THydrogen-bonded Turntrans-71.3102.3171.500000109.6L144L144-A146 PolarHBondContact O-N 3.09Å
147A46.4Very low60.2Low94 Ų94101.8 Ų101.878%0.77760%0.599SS**THydrogen-bonded Turntrans67.864.8171.900000116.3L145 P149L145-A147 PolarHBondContact O-N 3Å; L145-A147 VanDerWaalsContact O-N 3.09Å; A147-P149 WeakPolarHBondContact O-CD 3.49Å
148R57.4Low62.1Low86 Ų8694.4 Ų94.433%0.32557%0.565SS.*  trans-64.3128.3152.9-79.6-179.486.3172.48.4108.1A57 E159A57-R148 HydrophobicContact CB-CG 4.21Å; R148-E159 IonicContact NH2-OE1 3.44Å; R148-E159 PolarHBondContact NH2-OE1 3.42Å; R148-E159 IonicContact NH2-OE2 3.54Å; R148-E159 PolarHBondContact NH2-OE2 2.9Å
149P61.1Low64.4Low111 Ų11191.2 Ų91.272%0.72154%0.536SS*.  trans-56.9142.3165.4-14.225.3000108.7A147 M151A147-P149 WeakPolarHBondContact O-CD 3.49Å; P149-M151 PolarHBondContact O-N 3.46Å
150T67.5Low66.9Low146 Ų14687.5 Ų87.590%0.89651%0.506SS*.  trans-61105.5171.943.20000108.8
151M74.1Confident69.2Low63 Ų6383.8 Ų83.831%0.3147%0.471SS..  trans-71.9135.2175.7-70.4176.365.300109.5P149 A155 R156 E159P149-M151 PolarHBondContact O-N 3.46Å; M151-A155 HydrophobicContact CB-CB 4.42Å; M151-A155 HydrophobicContact CE-CB 3.66Å; M151-A155 WeakPolarHBondContact CE-O 3.08Å; M151-R156 PolarHBondContact O-NH2 3.31Å; M151-R156 VanDerWaalsContact O-NH2 3.07Å; M151-E159 HydrophobicContact CE-CB 4.21Å
152N84.8Confident71.6Confident104 Ų10482.6 Ų82.656%0.55646%0.455SS*.  trans-64.8160.8169.169.233.7000110.9F154 A155 R156N152-F154 VanDerWaalsContact C-N 3.27Å; N152-F154 PolarHBondContact O-N 3.28Å; N152-F154 PolarHBondContact OD1-N 2.9Å; N152-A155 PolarHBondContact O-N 2.92Å; N152-A155 VanDerWaalsContact OD1-CB 3.24Å; N152-A155 WeakPolarHBondContact OD1-CB 3.31Å; N152-A155 PolarHBondContact OD1-N 2.86Å; N152-R156 PolarHBondContact O-N 3.49Å; N152-R156 VanDerWaalsContact O-N 3.11Å
153D86.2Confident74.4Confident105 Ų10574 Ų7456%0.56142%0.415SS*.Hα-helixtrans-61.4-36.2-174.1-71.3-18000112.6R156 K157D153-R156 PolarHBondContact O-N 2.76Å; D153-R156 IonicContact OD1-CZ 2.99Å; D153-R156 IonicContact OD1-NH1 3.76Å; D153-R156 PolarHBondContact OD1-NH1 3.34Å; D153-R156 IonicContact OD1-NH2 3.59Å; D153-R156 PolarHBondContact OD1-NH2 3.04Å; D153-K157 WeakPolarHBondContact O-CG 3.49Å; D153-K157 PolarHBondContact O-N 3.13Å
154F88.3Confident77Confident111 Ų11169.9 Ų69.949%0.48739%0.386SS..Hα-helixtrans-62.1-48.7177-179.6-101.7000111.8F43 N152 R156 K157 V158F43-F154 HydrophobicContact CE2-CD2 4.18Å; F43-F154 AromaticContact CE2-CE2 3.99Å; F43-F154 HydrophobicContact CE2-CE2 3.99Å; F43-F154 HydrophobicContact CZ-CD2 4.11Å; F43-F154 AromaticContact CZ-CE2 3.79Å; F43-F154 HydrophobicContact CZ-CE2 3.79Å; N152-F154 VanDerWaalsContact C-N 3.27Å; N152-F154 PolarHBondContact O-N 3.28Å; N152-F154 PolarHBondContact OD1-N 2.9Å; F154-R156 VanDerWaalsContact C-N 3.25Å; F154-R156 PolarHBondContact O-N 3.12Å; F154-K157 WeakPolarHBondContact O-CB 3.31Å; F154-K157 PolarHBondContact O-N 3.43Å; F154-K157 VanDerWaalsContact O-N 3.15Å; F154-V158 HydrophobicContact CD1-CG2 4.17Å; F154-V158 HydrophobicContact CE1-CG2 3.74Å; F154-V158 HydrophobicContact CE2-CG2 4.3Å; F154-V158 HydrophobicContact CZ-CG2 3.81Å; F154-V158 WeakPolarHBondContact O-CG2 3.4Å; F154-V158 PolarHBondContact O-N 3.04Å
155A87.4Confident79.4Confident33 Ų3366.4 Ų66.427%0.27336%0.363SS..Hα-helixtrans-61.5-36.1178.400000111.7M151 N152 V158 E159M151-A155 HydrophobicContact CB-CB 4.42Å; M151-A155 HydrophobicContact CE-CB 3.66Å; M151-A155 WeakPolarHBondContact CE-O 3.08Å; N152-A155 PolarHBondContact O-N 2.92Å; N152-A155 VanDerWaalsContact OD1-CB 3.24Å; N152-A155 WeakPolarHBondContact OD1-CB 3.31Å; N152-A155 PolarHBondContact OD1-N 2.86Å; A155-V158 PolarHBondContact O-N 3.21Å; A155-E159 WeakPolarHBondContact O-CB 3.45Å; A155-E159 PolarHBondContact O-N 3.48Å
156R87.1Confident81.8Confident95 Ų9559.3 Ų59.336%0.35833%0.326SS..Hα-helixtrans-65.6-42175.2-165.2-175.6-55.5124.412.5112.1M151 N152 D153 F154 E159 G160M151-R156 PolarHBondContact O-NH2 3.31Å; M151-R156 VanDerWaalsContact O-NH2 3.07Å; N152-R156 PolarHBondContact O-N 3.49Å; N152-R156 VanDerWaalsContact O-N 3.11Å; D153-R156 PolarHBondContact O-N 2.76Å; D153-R156 IonicContact OD1-CZ 2.99Å; D153-R156 IonicContact OD1-NH1 3.76Å; D153-R156 PolarHBondContact OD1-NH1 3.34Å; D153-R156 IonicContact OD1-NH2 3.59Å; D153-R156 PolarHBondContact OD1-NH2 3.04Å; F154-R156 VanDerWaalsContact C-N 3.25Å; F154-R156 PolarHBondContact O-N 3.12Å; R156-E159 PolarHBondContact O-N 2.82Å; R156-G160 PolarHBondContact O-N 3.23Å
157K91.5Very high84.4Confident79 Ų7955.9 Ų55.934%0.34330%0.297SS..Hα-helixtrans-63.2-43174.4-69.5-177.8178.8-171.20111.8L39 F43 D153 F154 G160 F161L39-K157 HydrophobicContact CD1-CB 4.04Å; L39-K157 HydrophobicContact CD1-CG 4.35Å; L39-K157 HydrophobicContact CD2-CB 4.31Å; L39-K157 HydrophobicContact CD2-CD 3.95Å; L39-K157 HydrophobicContact CD2-CG 3.72Å; F43-K157 HydrophobicContact CD2-CD 4.41Å; F43-K157 HydrophobicContact CE1-CB 4.06Å; F43-K157 HydrophobicContact CE2-CB 3.9Å; F43-K157 HydrophobicContact CE2-CD 3.96Å; F43-K157 HydrophobicContact CZ-CB 3.59Å; D153-K157 WeakPolarHBondContact O-CG 3.49Å; D153-K157 PolarHBondContact O-N 3.13Å; F154-K157 WeakPolarHBondContact O-CB 3.31Å; F154-K157 PolarHBondContact O-N 3.43Å; F154-K157 VanDerWaalsContact O-N 3.15Å; K157-G160 PolarHBondContact O-N 2.94Å; K157-F161 WeakPolarHBondContact O-CB 3.25Å; K157-F161 PolarHBondContact O-N 3.31Å
158V91.8Very high86.8Confident12 Ų1253 Ų537%0.07327%0.268CS..Hα-helixtrans-61-45.3174.1173.70000110.9F43 P50 P53 F154 A155 G160 F161 W162F43-V158 HydrophobicContact CE1-CG2 4.03Å; F43-V158 HydrophobicContact CZ-CG2 3.91Å; P50-V158 HydrophobicContact CB-CB 4.45Å; P50-V158 HydrophobicContact CB-CG1 4.02Å; P50-V158 HydrophobicContact CB-CG2 3.8Å; P50-V158 HydrophobicContact CG-CG1 4.33Å; P50-V158 HydrophobicContact CG-CG2 4.45Å; P53-V158 HydrophobicContact CG-CG1 4.47Å; F154-V158 HydrophobicContact CD1-CG2 4.17Å; F154-V158 HydrophobicContact CE1-CG2 3.74Å; F154-V158 HydrophobicContact CE2-CG2 4.3Å; F154-V158 HydrophobicContact CZ-CG2 3.81Å; F154-V158 WeakPolarHBondContact O-CG2 3.4Å; F154-V158 PolarHBondContact O-N 3.04Å; A155-V158 PolarHBondContact O-N 3.21Å; V158-G160 PolarHBondContact O-N 3.19Å; V158-F161 WeakPolarHBondContact O-CB 3.49Å; V158-F161 PolarHBondContact O-N 3.4Å; V158-W162 VanDerWaalsContact O-CD1 3.25Å; V158-W162 PolarHBondContact O-N 3.28Å
159E90.4Very high88.7Confident15 Ų1550.8 Ų50.87%0.0727%0.265CS..Hα-helixtrans-58.7-49.1176.4-176.9171-133.200111.3T56 R148 M151 A155 R156 F161 W162 I163T56-E159 HydrophobicContact CG2-CG 4.01Å; R148-E159 IonicContact NH2-OE1 3.44Å; R148-E159 PolarHBondContact NH2-OE1 3.42Å; R148-E159 IonicContact NH2-OE2 3.54Å; R148-E159 PolarHBondContact NH2-OE2 2.9Å; M151-E159 HydrophobicContact CE-CB 4.21Å; A155-E159 WeakPolarHBondContact O-CB 3.45Å; A155-E159 PolarHBondContact O-N 3.48Å; R156-E159 PolarHBondContact O-N 2.82Å; E159-F161 VanDerWaalsContact C-N 3.35Å; E159-F161 PolarHBondContact O-N 2.89Å; E159-W162 PolarHBondContact O-N 3.25Å; E159-W162 VanDerWaalsContact O-N 3.14Å; E159-I163 HydrophobicContact CG-CD1 3.92Å; E159-I163 HydrophobicContact CG-CG1 4.44Å; E159-I163 VanDerWaalsContact O-CG1 3.29Å; E159-I163 WeakPolarHBondContact O-CG1 3.48Å; E159-I163 PolarHBondContact O-N 3.32Å
160G93.1Very high90.5Very high1 Ų146.1 Ų46.11%0.0123%0.233CC..Hα-helixtrans-59-41.9176.800000113.6Y35 R156 K157 V158 W162 I163 L164Y35-G160 WeakPolarHBondContact OH-CA 3.38Å; R156-G160 PolarHBondContact O-N 3.23Å; K157-G160 PolarHBondContact O-N 2.94Å; V158-G160 PolarHBondContact O-N 3.19Å; G160-W162 VanDerWaalsContact C-N 3.34Å; G160-W162 PolarHBondContact O-N 2.99Å; G160-I163 PolarHBondContact O-N 3.33Å; G160-L164 WeakPolarHBondContact O-CG 3.3Å; G160-L164 PolarHBondContact O-N 3.38Å
161F94.2Very high91.9Very high17 Ų1739.1 Ų39.18%0.07519%0.19CC..Hα-helixtrans-56.3-47.2173.5175.6-82.9000111.8L36 F43 P50 K157 V158 E159 R165L36-F161 HydrophobicContact CD2-CD2 3.6Å; L36-F161 HydrophobicContact CD2-CE2 4.05Å; F43-F161 HydrophobicContact CD1-CB 4.41Å; F43-F161 HydrophobicContact CD1-CD2 4.31Å; F43-F161 HydrophobicContact CE1-CB 4.49Å; P50-F161 HydrophobicContact CG-CB 4.34Å; P50-F161 HydrophobicContact CG-CD1 3.5Å; P50-F161 VanDerWaalsContact CG-CD1 3.5Å; P50-F161 HydrophobicContact CG-CD2 4.32Å; P50-F161 HydrophobicContact CG-CE1 3.79Å; P50-F161 HydrophobicContact CG-CG 3.8Å; P50-F161 HydrophobicContact CG-CZ 4.33Å; K157-F161 WeakPolarHBondContact O-CB 3.25Å; K157-F161 PolarHBondContact O-N 3.31Å; V158-F161 WeakPolarHBondContact O-CB 3.49Å; V158-F161 PolarHBondContact O-N 3.4Å; E159-F161 VanDerWaalsContact C-N 3.35Å; E159-F161 PolarHBondContact O-N 2.89Å; F161-R165 WeakPolarHBondContact O-CB 3.24Å; F161-R165 PolarHBondContact O-N 3.27Å; F161-R165 VanDerWaalsContact O-N 3.12Å
162W93.1Very high92.9Very high14 Ų1441.6 Ų41.65%0.05320%0.196CC..Hα-helixtrans-72.9-33.2-177.7-83.398.1000113.4P50 P51 R52 P53 L60 V158 E159 G160 R165 E166P50-W162 WeakPolarHBondContact O-CZ2 3.4Å; P50-W162 PolarHBondContact O-NE1 3Å; P51-W162 PolarHBondContact O-NE1 2.9Å; P51-W162 VanDerWaalsContact O-NE1 3.08Å; R52-W162 VanDerWaalsContact CA-CE2 3.48Å; R52-W162 HydrophobicContact CB-CH2 3.33Å; R52-W162 HydrophobicContact CB-CZ2 3.42Å; R52-W162 VanDerWaalsContact CB-CZ2 3.42Å; R52-W162 HydrophobicContact CB-CZ3 4.03Å; R52-W162 HydrophobicContact CG-CD2 4.25Å; R52-W162 HydrophobicContact CG-CE3 4.04Å; R52-W162 HydrophobicContact CG-CH2 3.48Å; R52-W162 VanDerWaalsContact CG-CH2 3.48Å; R52-W162 HydrophobicContact CG-CZ2 3.87Å; R52-W162 HydrophobicContact CG-CZ3 3.6Å; P53-W162 HydrophobicContact CG-CG 4.38Å; L60-W162 HydrophobicContact CD1-CB 4.16Å; V158-W162 VanDerWaalsContact O-CD1 3.25Å; V158-W162 PolarHBondContact O-N 3.28Å; E159-W162 PolarHBondContact O-N 3.25Å; E159-W162 VanDerWaalsContact O-N 3.14Å; G160-W162 VanDerWaalsContact C-N 3.34Å; G160-W162 PolarHBondContact O-N 2.99Å; W162-R165 VanDerWaalsContact CE3-NE 3.35Å; W162-R165 VanDerWaalsContact CZ2-NH1 3.31Å; W162-R165 PolarHBondContact O-N 2.68Å; W162-E166 PolarHBondContact O-N 3.15Å
163I95Very high93.5Very high6 Ų637.4 Ų37.43%0.03117%0.173CC..Hα-helixtrans-56.6-54.6171.9-70.7165.3000110L60 A92 V93 E159 G160 R165 E166 L167L60-I163 HydrophobicContact CD1-CG1 3.93Å; L60-I163 HydrophobicContact CD2-CG1 4Å; A92-I163 HydrophobicContact CB-CD1 3.76Å; A92-I163 HydrophobicContact CB-CG1 3.83Å; A92-I163 HydrophobicContact CB-CG2 3.94Å; V93-I163 HydrophobicContact CG2-CG2 3.75Å; E159-I163 HydrophobicContact CG-CD1 3.92Å; E159-I163 HydrophobicContact CG-CG1 4.44Å; E159-I163 VanDerWaalsContact O-CG1 3.29Å; E159-I163 WeakPolarHBondContact O-CG1 3.48Å; E159-I163 PolarHBondContact O-N 3.32Å; G160-I163 PolarHBondContact O-N 3.33Å; I163-R165 VanDerWaalsContact C-N 3.26Å; I163-R165 PolarHBondContact O-N 2.89Å; I163-E166 PolarHBondContact O-N 2.99Å; I163-L167 WeakPolarHBondContact O-CB 3.43Å; I163-L167 PolarHBondContact O-N 3.36Å
164L96.4Very high94Very high2 Ų232.4 Ų32.41%0.0115%0.146CC..Hα-helixtrans-64.4-33.7-178-61.4-179.4000111.7L28 K32 Y35 L96 L109 G160 Q168L28-L164 HydrophobicContact CD1-CD2 3.84Å; K32-L164 HydrophobicContact CB-CD1 4.49Å; K32-L164 HydrophobicContact CG-CD1 4.49Å; Y35-L164 HydrophobicContact CD1-CD1 3.47Å; Y35-L164 VanDerWaalsContact CD1-CD1 3.47Å; Y35-L164 HydrophobicContact CD2-CD1 4.31Å; Y35-L164 HydrophobicContact CE1-CD1 4.15Å; Y35-L164 HydrophobicContact CG-CD1 3.58Å; L96-L164 HydrophobicContact CD2-CD1 4.46Å; L96-L164 HydrophobicContact CD2-CD2 4.06Å; L96-L164 HydrophobicContact CD2-CG 4.14Å; L109-L164 HydrophobicContact CD2-CD2 4.35Å; G160-L164 WeakPolarHBondContact O-CG 3.3Å; G160-L164 PolarHBondContact O-N 3.38Å; L164-Q168 WeakPolarHBondContact O-CB 3.36Å; L164-Q168 PolarHBondContact O-N 3.13Å
165R94.9Very high94.3Very high70 Ų7027.5 Ų27.526%0.26413%0.126SC..Hα-helixtrans-71.3-44.8178.9-167.4173.785.5156.942.8113.5S49 F161 W162 I163 L167 Q168 S169S49-R165 PolarHBondContact OG-NH1 3.47Å; S49-R165 VanDerWaalsContact OG-NH1 3.17Å; F161-R165 WeakPolarHBondContact O-CB 3.24Å; F161-R165 PolarHBondContact O-N 3.27Å; F161-R165 VanDerWaalsContact O-N 3.12Å; W162-R165 VanDerWaalsContact CE3-NE 3.35Å; W162-R165 VanDerWaalsContact CZ2-NH1 3.31Å; W162-R165 PolarHBondContact O-N 2.68Å; I163-R165 VanDerWaalsContact C-N 3.26Å; I163-R165 PolarHBondContact O-N 2.89Å; R165-L167 VanDerWaalsContact C-N 3.34Å; R165-Q168 PolarHBondContact O-N 3.07Å; R165-S169 PolarHBondContact O-N 2.99Å; R165-S169 VanDerWaalsContact O-N 3.09Å; R165-S169 PolarHBondContact O-OG 2.99Å
166E95.1Very high94.7Very high9 Ų931.6 Ų31.64%0.04214%0.138CC..Hα-helixtrans-67.4-39.8175.8-75.3-70.6-172.700110.4R52 S62 A63 L89 W162 I163 Q168 S169 W170R52-E166 IonicContact CZ-OE1 2.71Å; R52-E166 IonicContact NH1-OE1 2.67Å; R52-E166 IonicContact NH2-OE1 3.37Å; R52-E166 PolarHBondContact NH2-OE1 3.48Å; S62-E166 WeakPolarHBondContact CA-OE2 3.46Å; S62-E166 PolarHBondContact OG-OE1 2.88Å; A63-E166 PolarHBondContact N-OE2 3.44Å; A63-E166 VanDerWaalsContact N-OE2 3.13Å; L89-E166 HydrophobicContact CD2-CB 4.26Å; W162-E166 PolarHBondContact O-N 3.15Å; I163-E166 PolarHBondContact O-N 2.99Å; E166-Q168 VanDerWaalsContact C-N 3.35Å; E166-Q168 PolarHBondContact O-N 3.49Å; E166-S169 WeakPolarHBondContact O-CB 3.48Å; E166-S169 PolarHBondContact O-N 3.22Å; E166-S169 VanDerWaalsContact O-N 3.1Å; E166-W170 VanDerWaalsContact O-CD1 3.26Å; E166-W170 PolarHBondContact O-N 3.37Å
167L97.1Very high95Very high0 Ų027.3 Ų27.30%012%0.122CC..Hα-helixtrans-59.3-43.9174.7-177.462.4000112.6L28 Y86 L89 V93 F112 L116 I163 R165 S169 W170 L171L28-L167 HydrophobicContact CD1-CD2 3.79Å; L28-L167 HydrophobicContact CD2-CB 4.12Å; L28-L167 HydrophobicContact CD2-CD2 3.98Å; L28-L167 HydrophobicContact CD2-CG 3.79Å; Y86-L167 HydrophobicContact CD1-CD1 4.25Å; Y86-L167 HydrophobicContact CE1-CD1 4.12Å; L89-L167 HydrophobicContact CB-CD1 4.14Å; L89-L167 HydrophobicContact CD1-CB 4.48Å; L89-L167 HydrophobicContact CD1-CD1 3.97Å; L89-L167 HydrophobicContact CD2-CB 4.4Å; V93-L167 HydrophobicContact CG2-CD2 3.85Å; F112-L167 HydrophobicContact CD1-CD2 4.3Å; F112-L167 HydrophobicContact CE1-CD2 3.38Å; F112-L167 HydrophobicContact CE1-CG 4.35Å; F112-L167 HydrophobicContact CZ-CD2 3.96Å; L116-L167 HydrophobicContact CD1-CD1 4.19Å; L116-L167 HydrophobicContact CD1-CD2 4.36Å; L116-L167 HydrophobicContact CD2-CD1 3.94Å; I163-L167 WeakPolarHBondContact O-CB 3.43Å; I163-L167 PolarHBondContact O-N 3.36Å; R165-L167 VanDerWaalsContact C-N 3.34Å; L167-S169 VanDerWaalsContact C-N 3.3Å; L167-S169 PolarHBondContact O-N 2.89Å; L167-W170 PolarHBondContact O-N 3.14Å; L167-L171 HydrophobicContact CG-CD1 4.32Å; L167-L171 WeakPolarHBondContact O-CG 3.33Å; L167-L171 PolarHBondContact O-N 3.29Å
168Q97.3Very high95.2Very high35 Ų3523.5 Ų23.516%0.16411%0.105CC..Hα-helixtrans-58.4-44.3173.5-179.3175.92300111.5L28 L164 R165 E166 W170 L171 W172L28-Q168 VanDerWaalsContact CD2-CA 3.47Å; L28-Q168 HydrophobicContact CD2-CB 3.73Å; L28-Q168 VanDerWaalsContact CD2-N 3.35Å; L164-Q168 WeakPolarHBondContact O-CB 3.36Å; L164-Q168 PolarHBondContact O-N 3.13Å; R165-Q168 PolarHBondContact O-N 3.07Å; E166-Q168 VanDerWaalsContact C-N 3.35Å; E166-Q168 PolarHBondContact O-N 3.49Å; Q168-W170 VanDerWaalsContact C-N 3.34Å; Q168-W170 PolarHBondContact O-N 2.94Å; Q168-L171 PolarHBondContact O-N 3.27Å; Q168-W172 HydrophobicContact CG-CD2 4.25Å; Q168-W172 HydrophobicContact CG-CE3 4.17Å; Q168-W172 HydrophobicContact CG-CH2 3.9Å; Q168-W172 HydrophobicContact CG-CZ2 3.96Å; Q168-W172 HydrophobicContact CG-CZ3 3.99Å; Q168-W172 PolarHBondContact O-N 3.44Å; Q168-W172 VanDerWaalsContact O-N 3.15Å
169S96.5Very high95.2Very high39 Ų3926 Ų2627%0.27312%0.118SC..Hα-helixtrans-65.5-38.4-180-54.80000111.8A63 R165 E166 L167 R173A63-S169 VanDerWaalsContact CB-C 3.5Å; R165-S169 PolarHBondContact O-N 2.99Å; R165-S169 VanDerWaalsContact O-N 3.09Å; R165-S169 PolarHBondContact O-OG 2.99Å; E166-S169 WeakPolarHBondContact O-CB 3.48Å; E166-S169 PolarHBondContact O-N 3.22Å; E166-S169 VanDerWaalsContact O-N 3.1Å; L167-S169 VanDerWaalsContact C-N 3.3Å; L167-S169 PolarHBondContact O-N 2.89Å; S169-R173 WeakPolarHBondContact O-CB 3.46Å; S169-R173 PolarHBondContact O-N 3.34Å
170W97.8Very high95.2Very high12 Ų1228.8 Ų28.85%0.04513%0.128CC..Hα-helixtrans-65.8-45.9174.4-86101.6000112.3P61 S62 A63 Q81 A85 Y86 L89 E166 L167 Q168 W172 R173 S174P61-W170 HydrophobicContact CB-CZ2 4.19Å; P61-W170 PolarHBondContact O-NE1 3.21Å; S62-W170 WeakPolarHBondContact O-CZ2 3.4Å; A63-W170 HydrophobicContact CB-CB 4.44Å; A63-W170 HydrophobicContact CB-CD2 3.88Å; A63-W170 HydrophobicContact CB-CG 3.8Å; A63-W170 HydrophobicContact CB-CZ2 4.49Å; Q81-W170 HydrophobicContact CB-CH2 4.11Å; Q81-W170 HydrophobicContact CB-CZ3 4.36Å; A85-W170 HydrophobicContact CB-CD2 3.41Å; A85-W170 VanDerWaalsContact CB-CD2 3.41Å; A85-W170 HydrophobicContact CB-CE3 3.63Å; A85-W170 HydrophobicContact CB-CG 4.08Å; A85-W170 HydrophobicContact CB-CH2 3.64Å; A85-W170 HydrophobicContact CB-CZ2 3.42Å; A85-W170 VanDerWaalsContact CB-CZ2 3.42Å; A85-W170 HydrophobicContact CB-CZ3 3.71Å; Y86-W170 HydrophobicContact CE1-CB 4.22Å; Y86-W170 VanDerWaalsContact OH-C 3.31Å; Y86-W170 PolarHBondContact OH-O 3.31Å; L89-W170 HydrophobicContact CD1-CB 4.14Å; L89-W170 HydrophobicContact CD1-CG 3.9Å; E166-W170 VanDerWaalsContact O-CD1 3.26Å; E166-W170 PolarHBondContact O-N 3.37Å; L167-W170 PolarHBondContact O-N 3.14Å; Q168-W170 VanDerWaalsContact C-N 3.34Å; Q168-W170 PolarHBondContact O-N 2.94Å; W170-W172 VanDerWaalsContact C-N 3.31Å; W170-W172 PolarHBondContact O-N 3.39Å; W170-R173 CarbonylContact O-C 3.59Å; W170-R173 PolarHBondContact O-N 3.17Å; W170-R173 VanDerWaalsContact O-N 3.07Å; W170-S174 WeakPolarHBondContact O-CB 3.38Å; W170-S174 PolarHBondContact O-N 2.59Å; W170-S174 PolarHBondContact O-OG 2.8Å
171L98.1Very high95Very high0 Ų028.9 Ų28.90%013%0.128CC..Hα-helixtrans-57.6-44.1177.4-70.2165000111.8T21 L24 E25 L28 Y86 F112 L119 L167 Q168 R173 S174 A175T21-L171 HydrophobicContact CG2-CB 4.46Å; T21-L171 HydrophobicContact CG2-CD2 3.97Å; T21-L171 WeakPolarHBondContact CG2-O 3.48Å; L24-L171 HydrophobicContact CB-CD1 4.33Å; L24-L171 HydrophobicContact CB-CD2 3.81Å; L24-L171 HydrophobicContact CD1-CD2 4.48Å; E25-L171 HydrophobicContact CB-CB 4.32Å; L28-L171 HydrophobicContact CB-CD1 4.19Å; L28-L171 HydrophobicContact CD2-CD1 3.61Å; Y86-L171 HydrophobicContact CE1-CD2 4.03Å; Y86-L171 HydrophobicContact CE1-CG 4.36Å; Y86-L171 VanDerWaalsContact OH-CA 3.3Å; Y86-L171 WeakPolarHBondContact OH-CA 3.45Å; Y86-L171 PolarHBondContact OH-N 3.34Å; F112-L171 HydrophobicContact CZ-CD1 4.28Å; L119-L171 HydrophobicContact CD2-CD2 4.27Å; L167-L171 HydrophobicContact CG-CD1 4.32Å; L167-L171 WeakPolarHBondContact O-CG 3.33Å; L167-L171 PolarHBondContact O-N 3.29Å; Q168-L171 PolarHBondContact O-N 3.27Å; L171-R173 PolarHBondContact O-N 2.9Å; L171-S174 PolarHBondContact O-N 2.94Å; L171-A175 PolarHBondContact O-N 3.39Å; L171-A175 VanDerWaalsContact O-N 3.08Å
172W95.9Very high94.7Very high114 Ų11429.8 Ų29.843%0.43213%0.132SC..Hα-helixtrans-62.7-41.7174.1-74.5-24.6000113.6E25 Q168 W170 K176E25-W172 PolarHBondContact OE1-NE1 3.48Å; Q168-W172 HydrophobicContact CG-CD2 4.25Å; Q168-W172 HydrophobicContact CG-CE3 4.17Å; Q168-W172 HydrophobicContact CG-CH2 3.9Å; Q168-W172 HydrophobicContact CG-CZ2 3.96Å; Q168-W172 HydrophobicContact CG-CZ3 3.99Å; Q168-W172 PolarHBondContact O-N 3.44Å; Q168-W172 VanDerWaalsContact O-N 3.15Å; W170-W172 VanDerWaalsContact C-N 3.31Å; W170-W172 PolarHBondContact O-N 3.39Å; W172-K176 WeakPolarHBondContact O-CG 3.42Å; W172-K176 PolarHBondContact O-N 2.97Å
173R95.8Very high94.3Very high17 Ų1735.9 Ų35.96%0.06416%0.159CC..Hα-helixtrans-67.3-45.7178.3-177-179.8177-73.1-4.5111.3A63 S169 W170 L171 A175 K176 D177A63-R173 WeakPolarHBondContact O-CD 3.33Å; S169-R173 WeakPolarHBondContact O-CB 3.46Å; S169-R173 PolarHBondContact O-N 3.34Å; W170-R173 CarbonylContact O-C 3.59Å; W170-R173 PolarHBondContact O-N 3.17Å; W170-R173 VanDerWaalsContact O-N 3.07Å; L171-R173 PolarHBondContact O-N 2.9Å; R173-A175 VanDerWaalsContact C-N 3.34Å; R173-A175 PolarHBondContact O-N 2.9Å; R173-K176 WeakPolarHBondContact O-CA 3.35Å; R173-K176 WeakPolarHBondContact O-CB 3.46Å; R173-K176 PolarHBondContact O-N 3.45Å; R173-D177 IonicContact CZ-OD2 3.78Å; R173-D177 IonicContact NH1-OD2 2.8Å; R173-D177 PolarHBondContact NH1-OD2 3.11Å; R173-D177 PolarHBondContact O-N 3.45Å
174S96.6Very high93.3Very high0 Ų040 Ų400%017%0.174CC..Hα-helixtrans-61.8-40.4179.8-53.50000111.9N82 Y86 W170 L171 K176 D177 F178N82-S174 WeakPolarHBondContact OD1-CB 3.4Å; N82-S174 PolarHBondContact OD1-OG 2.94Å; Y86-S174 VanDerWaalsContact CE2-OG 3.24Å; Y86-S174 WeakPolarHBondContact CE2-OG 3.43Å; Y86-S174 WeakPolarHBondContact OH-CB 3.11Å; Y86-S174 PolarHBondContact OH-OG 3.47Å; W170-S174 WeakPolarHBondContact O-CB 3.38Å; W170-S174 PolarHBondContact O-N 2.59Å; W170-S174 PolarHBondContact O-OG 2.8Å; L171-S174 PolarHBondContact O-N 2.94Å; S174-K176 PolarHBondContact O-N 3.46Å; S174-D177 WeakPolarHBondContact O-CB 3.35Å; S174-D177 PolarHBondContact O-N 2.92Å; S174-F178 WeakPolarHBondContact O-CD2 3.36Å; S174-F178 WeakPolarHBondContact O-CG 3.45Å; S174-F178 PolarHBondContact O-N 3.07Å
175A95.8Very high91.9Very high8 Ų840.6 Ų40.67%0.06618%0.177CC..Hα-helixtrans-56.4-40.2173.800000111.9Y18 T21 K22 L171 R173 N179Y18-A175 HydrophobicContact CD2-CB 4.39Å; Y18-A175 HydrophobicContact CE2-CB 4.02Å; T21-A175 HydrophobicContact CG2-CB 4.36Å; K22-A175 HydrophobicContact CD-CB 4.26Å; L171-A175 PolarHBondContact O-N 3.39Å; L171-A175 VanDerWaalsContact O-N 3.08Å; R173-A175 VanDerWaalsContact C-N 3.34Å; R173-A175 PolarHBondContact O-N 2.9Å; A175-N179 WeakPolarHBondContact O-CB 3.26Å; A175-N179 PolarHBondContact O-N 3.38Å; A175-N179 VanDerWaalsContact O-N 3.09Å; A175-N179 PolarHBondContact O-ND2 3.36Å
176K94.3Very high90.1Very high119 Ų11949.5 Ų49.552%0.51721%0.211SC..Hα-helixtrans-69.8-40174.6-62.5172.9-176.5177.40112.1W70 W172 R173 S174 N179 R180W70-K176 HydrophobicContact CH2-CB 3.68Å; W70-K176 HydrophobicContact CH2-CD 4.24Å; W70-K176 HydrophobicContact CH2-CG 4.47Å; W70-K176 HydrophobicContact CZ2-CB 3.53Å; W70-K176 HydrophobicContact CZ2-CD 4.48Å; W172-K176 WeakPolarHBondContact O-CG 3.42Å; W172-K176 PolarHBondContact O-N 2.97Å; R173-K176 WeakPolarHBondContact O-CA 3.35Å; R173-K176 WeakPolarHBondContact O-CB 3.46Å; R173-K176 PolarHBondContact O-N 3.45Å; S174-K176 PolarHBondContact O-N 3.46Å; K176-N179 PolarHBondContact O-N 3.19Å; K176-R180 PolarHBondContact O-N 3.27Å
177D94.8Very high89.8Confident4 Ų451.5 Ų51.52%0.02122%0.219CC..Hα-helixtrans-61.1-46.1176.7-71-16.2000111.1W70 R78 N82 R173 S174 R180 L181W70-D177 PolarHBondContact NE1-OD1 3.46Å; R78-D177 HydrophobicContact CB-CB 4.25Å; R78-D177 WeakPolarHBondContact CD-OD1 3.43Å; R78-D177 IonicContact NE-OD1 3.67Å; N82-D177 PolarHBondContact ND2-OD2 2.86Å; R173-D177 IonicContact CZ-OD2 3.78Å; R173-D177 IonicContact NH1-OD2 2.8Å; R173-D177 PolarHBondContact NH1-OD2 3.11Å; R173-D177 PolarHBondContact O-N 3.45Å; S174-D177 WeakPolarHBondContact O-CB 3.35Å; S174-D177 PolarHBondContact O-N 2.92Å; D177-R180 WeakPolarHBondContact O-CB 3.5Å; D177-R180 PolarHBondContact O-N 2.75Å; D177-L181 PolarHBondContact O-N 3.08Å
178F94.6Very high89.4Confident0 Ų054.2 Ų54.20%023%0.231CC..Hα-helixtrans-66.7-39.2177.5-59.9-45.4000112.1I14 T17 Y18 T21 L79 I123 S174 R180 L181 K182I14-F178 HydrophobicContact CG2-CB 4.37Å; T17-F178 HydrophobicContact CG2-CD2 4.48Å; T17-F178 HydrophobicContact CG2-CE1 3.94Å; T17-F178 HydrophobicContact CG2-CE2 3.9Å; T17-F178 HydrophobicContact CG2-CZ 3.6Å; Y18-F178 HydrophobicContact CD2-CB 4.21Å; T21-F178 HydrophobicContact CG2-CE2 4.5Å; T21-F178 VanDerWaalsContact OG1-CE2 3.25Å; T21-F178 WeakPolarHBondContact OG1-CE2 3.37Å; L79-F178 HydrophobicContact CD2-CD1 4.4Å; L79-F178 HydrophobicContact CD2-CE1 3.81Å; I123-F178 HydrophobicContact CD1-CZ 4.1Å; I123-F178 HydrophobicContact CG1-CE1 4.31Å; I123-F178 HydrophobicContact CG1-CZ 3.85Å; S174-F178 WeakPolarHBondContact O-CD2 3.36Å; S174-F178 WeakPolarHBondContact O-CG 3.45Å; S174-F178 PolarHBondContact O-N 3.07Å; F178-R180 VanDerWaalsContact C-N 3.26Å; F178-R180 PolarHBondContact O-N 2.78Å; F178-L181 WeakPolarHBondContact O-CB 3.42Å; F178-L181 PolarHBondContact O-N 3.35Å; F178-L181 VanDerWaalsContact O-N 3.08Å; F178-K182 WeakPolarHBondContact O-CG 3.46Å; F178-K182 PolarHBondContact O-N 3.45Å
179N92.9Very high89Confident64 Ų6455.3 Ų55.334%0.34223%0.234SC..Hα-helixtrans-60.7-35.5172.8-82.2-30.5000112.7Y18 A175 K176 K183Y18-N179 WeakPolarHBondContact CE2-ND2 3.48Å; A175-N179 WeakPolarHBondContact O-CB 3.26Å; A175-N179 PolarHBondContact O-N 3.38Å; A175-N179 VanDerWaalsContact O-N 3.09Å; A175-N179 PolarHBondContact O-ND2 3.36Å; K176-N179 PolarHBondContact O-N 3.19Å; N179-K183 WeakPolarHBondContact O-CG 3.48Å; N179-K183 PolarHBondContact O-N 3.32Å
180R90.3Very high88.6Confident74 Ų7456.2 Ų56.228%0.27923%0.232SC..Hα-helixtrans-69-40.7171.4-75.1-176.1173-82.4-0.6111.9H71 K176 D177 F178 K182 K183 R184H71-R180 PolarHBondContact CD2-NH2 2.99Å; H71-R180 PolarHBondContact CE1-NH2 3.11Å; H71-R180 PolarHBondContact ND1-NH2 3.45Å; H71-R180 VanDerWaalsContact ND1-NH2 3.14Å; H71-R180 PolarHBondContact NE2-NH2 3.15Å; K176-R180 PolarHBondContact O-N 3.27Å; D177-R180 WeakPolarHBondContact O-CB 3.5Å; D177-R180 PolarHBondContact O-N 2.75Å; F178-R180 VanDerWaalsContact C-N 3.26Å; F178-R180 PolarHBondContact O-N 2.78Å; R180-K182 VanDerWaalsContact C-N 3.35Å; R180-K182 PolarHBondContact O-N 3.12Å; R180-K183 WeakPolarHBondContact O-CB 3.42Å; R180-K183 PolarHBondContact O-N 2.86Å; R180-K183 VanDerWaalsContact O-N 3.16Å; R180-R184 PolarHBondContact O-N 3.18Å
181L89.6Confident88Confident2 Ų259 Ų591%0.0124%0.244CC..Hα-helixtrans-62.1-41.8177.4-171.461.8000111.8I14 N75 L79 L130 D177 F178 K183 R184I14-L181 HydrophobicContact CD1-CD2 3.93Å; I14-L181 HydrophobicContact CD1-CG 3.78Å; I14-L181 HydrophobicContact CG1-CD2 3.86Å; I14-L181 HydrophobicContact CG1-CG 4.25Å; I14-L181 HydrophobicContact CG2-CB 4.49Å; I14-L181 HydrophobicContact CG2-CD2 4.34Å; N75-L181 HydrophobicContact CB-CD1 3.87Å; L79-L181 HydrophobicContact CD1-CD2 4.04Å; L79-L181 HydrophobicContact CD2-CD2 4.14Å; L79-L181 HydrophobicContact CG-CD2 4.43Å; L130-L181 HydrophobicContact CD1-CD1 4Å; L130-L181 HydrophobicContact CD1-CD2 4.13Å; D177-L181 PolarHBondContact O-N 3.08Å; F178-L181 WeakPolarHBondContact O-CB 3.42Å; F178-L181 PolarHBondContact O-N 3.35Å; F178-L181 VanDerWaalsContact O-N 3.08Å; L181-K183 VanDerWaalsContact C-N 3.26Å; L181-K183 PolarHBondContact O-N 3.37Å; L181-R184 WeakPolarHBondContact O-CB 3.32Å; L181-R184 PolarHBondContact O-N 3.18Å; L181-R184 VanDerWaalsContact O-N 3.1Å
182K86.6Confident87.3Confident36 Ų3662.9 Ų62.916%0.15726%0.26CS..Hα-helixtrans-55.4-39.7173.1-70.1179.8-171.7-179.40112I14 E15 F178 R180 R184 L185I14-K182 HydrophobicContact CB-CG 4.38Å; I14-K182 HydrophobicContact CG2-CD 4.36Å; I14-K182 HydrophobicContact CG2-CG 3.44Å; I14-K182 VanDerWaalsContact CG2-CG 3.44Å; E15-K182 IonicContact OE1-NZ 2.68Å; E15-K182 PolarHBondContact OE1-NZ 2.96Å; E15-K182 WeakPolarHBondContact OE2-CE 3.49Å; E15-K182 IonicContact OE2-NZ 3.54Å; E15-K182 PolarHBondContact OE2-NZ 3.44Å; F178-K182 WeakPolarHBondContact O-CG 3.46Å; F178-K182 PolarHBondContact O-N 3.45Å; R180-K182 VanDerWaalsContact C-N 3.35Å; R180-K182 PolarHBondContact O-N 3.12Å; K182-R184 VanDerWaalsContact C-N 3.28Å; K182-R184 PolarHBondContact O-N 3.2Å; K182-L185 PolarHBondContact O-N 3.43Å; K182-L185 VanDerWaalsContact O-N 3.14Å
183K84.3Confident86.7Confident142 Ų14259.3 Ų59.362%0.61725%0.248SC*.Hα-helixtrans-66.1-26.4179.3-70.6178.3-178.9-174.30113.5N179 R180 L181 L185 R186N179-K183 WeakPolarHBondContact O-CG 3.48Å; N179-K183 PolarHBondContact O-N 3.32Å; R180-K183 WeakPolarHBondContact O-CB 3.42Å; R180-K183 PolarHBondContact O-N 2.86Å; R180-K183 VanDerWaalsContact O-N 3.16Å; L181-K183 VanDerWaalsContact C-N 3.26Å; L181-K183 PolarHBondContact O-N 3.37Å; K183-L185 VanDerWaalsContact C-N 3.27Å; K183-R186 PolarHBondContact O-N 3.33Å
184R75.4Confident86Confident93 Ų9362.5 Ų62.535%0.35126%0.262SS..Hα-helixtrans-67.2-32.2173.6-172.9-162.661-176.6-0.4111.7L130 Y132 R180 L181 K182 R186L130-R184 VanDerWaalsContact CD1-NH2 3.31Å; Y132-R184 PolarHBondContact OH-NH1 3.14Å; R180-R184 PolarHBondContact O-N 3.18Å; L181-R184 WeakPolarHBondContact O-CB 3.32Å; L181-R184 PolarHBondContact O-N 3.18Å; L181-R184 VanDerWaalsContact O-N 3.1Å; K182-R184 VanDerWaalsContact C-N 3.28Å; K182-R184 PolarHBondContact O-N 3.2Å; R184-R186 VanDerWaalsContact C-N 3.26Å; R184-R186 PolarHBondContact O-N 3.06Å
185L66.9Low85.1Confident14 Ų1467.8 Ų67.87%0.07328%0.284CS..THydrogen-bonded Turntrans-86.98.6-179.5-61.4-173.7000112.9L7 E10 R11 I14 K182 K183L7-L185 HydrophobicContact CD2-CD2 4.25Å; E10-L185 HydrophobicContact CB-CD1 3.85Å; E10-L185 WeakPolarHBondContact OE2-CD2 3.3Å; R11-L185 HydrophobicContact CB-CD1 4.4Å; R11-L185 HydrophobicContact CG-CB 3.89Å; R11-L185 HydrophobicContact CG-CD1 3.62Å; R11-L185 HydrophobicContact CG-CG 4.44Å; R11-L185 PolarHBondContact NE-O 3.38Å; R11-L185 PolarHBondContact NH2-O 3.09Å; I14-L185 HydrophobicContact CD1-CD1 3.3Å; I14-L185 HydrophobicContact CD1-CG 4.17Å; K182-L185 PolarHBondContact O-N 3.43Å; K182-L185 VanDerWaalsContact O-N 3.14Å; K183-L185 VanDerWaalsContact C-N 3.27Å
186R55.9Low84.1Confident257 Ų25773.2 Ų73.297%0.9730%0.304SS*.  trans-94.10171.3-71.3-174.6177.8-166.7-2.6109.1K183 R184K183-R186 PolarHBondContact O-N 3.33Å; R184-R186 VanDerWaalsContact C-N 3.26Å; R184-R186 PolarHBondContact O-N 3.06Å

Retrieved 186 of 186 residues in 152.8 ms (Link to these results)

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