A0A077ZIC5_TRITR Loading...

Mediator of RNA polymerase II transcription subunit 11

Component of the Mediator complex, a coactivator involved in the regulated transcription of nearly all RNA polymerase II-dependent genes. Mediator functions as a bridge to convey information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery. Mediator is recruited to promoters by direct interactions with regulatory proteins and serves as a scaffold for the assembly of a functional pre-initiation complex with RNA polymerase II and the general transcription factors.

AlphaFold DB , UniProt , Accession A0A077ZIC5, Species TRITR (Trichuris trichiura, Whipworm), Gene MED11, Length 130 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M66.9Low88Confident115 Ų11583.8 Ų83.857%0.56745%0.445SS*.  0122.60-166.9174.4-76.300107.8E5 R6 K9M1-E5 WeakPolarHBondContact CA-OE2 3.32Å; M1-E5 HydrophobicContact CG-CB 3.48Å; M1-E5 VanDerWaalsContact CG-CB 3.48Å; M1-E5 HydrophobicContact CG-CG 4.44Å; M1-E5 VanDerWaalsContact CG-OE2 3.24Å; M1-E5 WeakPolarHBondContact CG-OE2 3.43Å; M1-E5 HydrophobicContact SD-CB 4.37Å; M1-R6 HydrophobicContact CB-CG 4.44Å; M1-R6 HydrophobicContact CG-CG 3.81Å; M1-R6 HydrophobicContact SD-CG 3.55Å; M1-R6 VanDerWaalsContact SD-CG 3.55Å; M1-K9 HydrophobicContact CE-CD 4.09Å; M1-K9 HydrophobicContact SD-CD 3.94Å
2S81.2Confident88.6Confident58 Ų5884.2 Ų84.241%0.40645%0.447SS..  trans-68.4160.7176.670.90000110.9S4 E5 R6S2-S4 PolarHBondContact O-N 3.27Å; S2-E5 PolarHBondContact N-OE2 3.28Å; S2-E5 PolarHBondContact O-N 3.13Å; S2-E5 VanDerWaalsContact OG-CG 3.28Å; S2-E5 WeakPolarHBondContact OG-CG 3.33Å; S2-E5 PolarHBondContact OG-N 3.45Å; S2-R6 PolarHBondContact O-N 2.86Å; S2-R6 VanDerWaalsContact O-N 3.17Å
3F83Confident89.3Confident146 Ų14678.6 Ų78.664%0.6442%0.418SS*.Hα-helixtrans-56.4-41.6173.1176.3-101.6000111.5E5 R6 L7F3-E5 PolarHBondContact O-N 3.42Å; F3-R6 WeakPolarHBondContact O-CB 3.37Å; F3-R6 PolarHBondContact O-N 3.16Å; F3-R6 VanDerWaalsContact O-N 3.15Å; F3-L7 PolarHBondContact O-N 3.12Å
4S86.1Confident89.8Confident88 Ų8882.3 Ų82.362%0.61543%0.432SS*.Hα-helixtrans-62-40.6178.5-51.80000112.8S2 R6 L7 A8S2-S4 PolarHBondContact O-N 3.27Å; S4-R6 VanDerWaalsContact C-N 3.32Å; S4-R6 PolarHBondContact O-N 3.25Å; S4-L7 PolarHBondContact O-N 2.98Å; S4-A8 PolarHBondContact O-N 3.36Å
5E89.8Confident90.2Very high104 Ų10483.9 Ų83.949%0.48643%0.434SS..Hα-helixtrans-64.6-36.5175-73.7167.2168.400112.1M1 S2 F3 A8 K9M1-E5 WeakPolarHBondContact CA-OE2 3.32Å; M1-E5 HydrophobicContact CG-CB 3.48Å; M1-E5 VanDerWaalsContact CG-CB 3.48Å; M1-E5 HydrophobicContact CG-CG 4.44Å; M1-E5 VanDerWaalsContact CG-OE2 3.24Å; M1-E5 WeakPolarHBondContact CG-OE2 3.43Å; M1-E5 HydrophobicContact SD-CB 4.37Å; S2-E5 PolarHBondContact N-OE2 3.28Å; S2-E5 PolarHBondContact O-N 3.13Å; S2-E5 VanDerWaalsContact OG-CG 3.28Å; S2-E5 WeakPolarHBondContact OG-CG 3.33Å; S2-E5 PolarHBondContact OG-N 3.45Å; F3-E5 PolarHBondContact O-N 3.42Å; E5-A8 PolarHBondContact O-N 3.38Å; E5-K9 PolarHBondContact O-N 3.49Å; E5-K9 VanDerWaalsContact O-N 3.1Å
6R89Confident90.6Very high45 Ų4581.1 Ų81.117%0.1742%0.424CS..Hα-helixtrans-68.5-41.1176-68.4178.3178.1-81.14.5111.9M1 S2 F3 S4 A8 K9 L10 Y65M1-R6 HydrophobicContact CB-CG 4.44Å; M1-R6 HydrophobicContact CG-CG 3.81Å; M1-R6 HydrophobicContact SD-CG 3.55Å; M1-R6 VanDerWaalsContact SD-CG 3.55Å; S2-R6 PolarHBondContact O-N 2.86Å; S2-R6 VanDerWaalsContact O-N 3.17Å; F3-R6 WeakPolarHBondContact O-CB 3.37Å; F3-R6 PolarHBondContact O-N 3.16Å; F3-R6 VanDerWaalsContact O-N 3.15Å; S4-R6 VanDerWaalsContact C-N 3.32Å; S4-R6 PolarHBondContact O-N 3.25Å; R6-A8 VanDerWaalsContact C-N 3.34Å; R6-K9 WeakPolarHBondContact O-CB 3.44Å; R6-K9 PolarHBondContact O-N 3.35Å; R6-L10 PolarHBondContact O-N 2.85Å; R6-L10 VanDerWaalsContact O-N 3.12Å; R6-Y65 VanDerWaalsContact CD-CD1 3.5Å; R6-Y65 VanDerWaalsContact NH1-CB 3.32Å
7L91.5Very high91Very high100 Ų10080.6 Ų80.652%0.52442%0.421SS..Hα-helixtrans-63.8-41.6175.7-171.961.7000111.3F3 S4 K9 L10 D11F3-L7 PolarHBondContact O-N 3.12Å; S4-L7 PolarHBondContact O-N 2.98Å; L7-K9 VanDerWaalsContact C-N 3.32Å; L7-K9 PolarHBondContact O-N 2.89Å; L7-L10 PolarHBondContact O-N 3.47Å; L7-L10 VanDerWaalsContact O-N 3.1Å; L7-D11 PolarHBondContact O-N 2.97Å
8A94.3Very high91.3Very high50 Ų5081.5 Ų81.541%0.41343%0.43SS..Hα-helixtrans-60.2-40.1174.200000112.3S4 E5 R6 L10 D11 D12S4-A8 PolarHBondContact O-N 3.36Å; E5-A8 PolarHBondContact O-N 3.38Å; R6-A8 VanDerWaalsContact C-N 3.34Å; A8-L10 VanDerWaalsContact C-N 3.31Å; A8-L10 PolarHBondContact O-N 3.35Å; A8-D11 WeakPolarHBondContact O-CB 3.39Å; A8-D11 PolarHBondContact O-N 3.38Å; A8-D12 PolarHBondContact O-N 2.99Å
9K94.1Very high91.6Very high72 Ų7281.8 Ų81.831%0.31343%0.429SS..Hα-helixtrans-61.9-37.1173.2-77-172.3168.2-160.40113.2M1 E5 R6 L7 D12 V13 T58M1-K9 HydrophobicContact CE-CD 4.09Å; M1-K9 HydrophobicContact SD-CD 3.94Å; E5-K9 PolarHBondContact O-N 3.49Å; E5-K9 VanDerWaalsContact O-N 3.1Å; R6-K9 WeakPolarHBondContact O-CB 3.44Å; R6-K9 PolarHBondContact O-N 3.35Å; L7-K9 VanDerWaalsContact C-N 3.32Å; L7-K9 PolarHBondContact O-N 2.89Å; K9-D12 PolarHBondContact O-N 2.65Å; K9-V13 WeakPolarHBondContact O-CG2 3.5Å; K9-V13 PolarHBondContact O-N 2.8Å; K9-T58 HydrophobicContact CB-CG2 4.46Å
10L95.2Very high91.9Very high73 Ų7378.6 Ų78.638%0.38241%0.412SS..Hα-helixtrans-70.1-36.6176.7-71.3174.2000111.7R6 L7 A8 D12 V13 E14 Q62R6-L10 PolarHBondContact O-N 2.85Å; R6-L10 VanDerWaalsContact O-N 3.12Å; L7-L10 PolarHBondContact O-N 3.47Å; L7-L10 VanDerWaalsContact O-N 3.1Å; A8-L10 VanDerWaalsContact C-N 3.31Å; A8-L10 PolarHBondContact O-N 3.35Å; L10-D12 VanDerWaalsContact C-N 3.33Å; L10-V13 WeakPolarHBondContact O-CB 3.35Å; L10-V13 PolarHBondContact O-N 3.42Å; L10-E14 PolarHBondContact O-N 2.89Å; L10-Q62 HydrophobicContact CD2-CB 4.26Å; L10-Q62 HydrophobicContact CD2-CG 3.81Å; L10-Q62 HydrophobicContact CG-CG 4.12Å
11D96.4Very high92.1Very high71 Ų7179.4 Ų79.438%0.3842%0.42SS..Hα-helixtrans-62.4-39.9171.1-18060.4000111.6L7 A8 V13 E14 K15L7-D11 PolarHBondContact O-N 2.97Å; A8-D11 WeakPolarHBondContact O-CB 3.39Å; A8-D11 PolarHBondContact O-N 3.38Å; D11-V13 VanDerWaalsContact C-N 3.33Å; D11-V13 PolarHBondContact O-N 3Å; D11-E14 WeakPolarHBondContact O-CB 3.29Å; D11-E14 PolarHBondContact O-N 2.98Å; D11-K15 WeakPolarHBondContact O-CG 3.48Å; D11-K15 PolarHBondContact O-N 3.28Å; D11-K15 WeakPolarHBondContact OD2-CE 3.36Å; D11-K15 IonicContact OD2-NZ 2.63Å; D11-K15 PolarHBondContact OD2-NZ 3.23Å
12D95.9Very high93.5Very high88 Ų8878.5 Ų78.547%0.47141%0.414SS..Hα-helixtrans-65.8-34.2172.9-72-23.3000112.8A8 K9 L10 S16A8-D12 PolarHBondContact O-N 2.99Å; K9-D12 PolarHBondContact O-N 2.65Å; L10-D12 VanDerWaalsContact C-N 3.33Å; D12-S16 VanDerWaalsContact O-CB 3.31Å; D12-S16 WeakPolarHBondContact O-CB 3.49Å; D12-S16 PolarHBondContact O-N 3.48Å; D12-S16 PolarHBondContact O-OG 3.46Å
13V97.3Very high94.2Very high12 Ų1276.2 Ų76.27%0.07340%0.398CS..Hα-helixtrans-64-45.5171.61650000110.6K9 L10 D11 K15 S16 I17 I55 T58 I59K9-V13 WeakPolarHBondContact O-CG2 3.5Å; K9-V13 PolarHBondContact O-N 2.8Å; L10-V13 WeakPolarHBondContact O-CB 3.35Å; L10-V13 PolarHBondContact O-N 3.42Å; D11-V13 VanDerWaalsContact C-N 3.33Å; D11-V13 PolarHBondContact O-N 3Å; V13-K15 PolarHBondContact O-N 3.28Å; V13-S16 CarbonylContact O-C 3.56Å; V13-S16 WeakPolarHBondContact O-CA 3.42Å; V13-S16 WeakPolarHBondContact O-CB 3.14Å; V13-S16 PolarHBondContact O-N 3.03Å; V13-I17 HydrophobicContact CG1-CD1 4.02Å; V13-I17 HydrophobicContact CG1-CG1 4.43Å; V13-I17 WeakPolarHBondContact O-CG1 3.46Å; V13-I17 PolarHBondContact O-N 3.24Å; V13-I55 HydrophobicContact CG1-CG2 3.86Å; V13-T58 HydrophobicContact CG2-CG2 3.51Å; V13-I59 HydrophobicContact CG1-CD1 4.08Å; V13-I59 HydrophobicContact CG1-CG1 4.09Å
14E96.1Very high94.9Very high130 Ų13070.6 Ų70.661%0.60738%0.379SS*.Hα-helixtrans-58-47.5177.7-174.4174.1175.700111.4L10 D11 S16 I17 V18L10-E14 PolarHBondContact O-N 2.89Å; D11-E14 WeakPolarHBondContact O-CB 3.29Å; D11-E14 PolarHBondContact O-N 2.98Å; E14-S16 VanDerWaalsContact C-N 3.29Å; E14-S16 PolarHBondContact O-N 3.23Å; E14-I17 WeakPolarHBondContact O-CB 3.41Å; E14-I17 PolarHBondContact O-N 3.06Å; E14-V18 PolarHBondContact O-N 2.87Å
15K96.4Very high95.5Very high106 Ų10668.3 Ų68.346%0.46137%0.369SS..Hα-helixtrans-60.2-39.4173.1-68.5165.2-178.3156.50112.3D11 V13 I17 V18 H19D11-K15 WeakPolarHBondContact O-CG 3.48Å; D11-K15 PolarHBondContact O-N 3.28Å; D11-K15 WeakPolarHBondContact OD2-CE 3.36Å; D11-K15 IonicContact OD2-NZ 2.63Å; D11-K15 PolarHBondContact OD2-NZ 3.23Å; V13-K15 PolarHBondContact O-N 3.28Å; K15-I17 VanDerWaalsContact C-N 3.32Å; K15-I17 PolarHBondContact O-N 2.99Å; K15-V18 WeakPolarHBondContact O-CB 3.24Å; K15-V18 PolarHBondContact O-N 3.06Å; K15-H19 PolarHBondContact O-CD2 2.91Å; K15-H19 PolarHBondContact O-N 3.46Å
16S96.1Very high95.8Very high40 Ų4067.4 Ų67.428%0.2837%0.365SS..Hα-helixtrans-66.4-33.2178-63.50000112.5D12 V13 E14 V18 H19 L20D12-S16 VanDerWaalsContact O-CB 3.31Å; D12-S16 WeakPolarHBondContact O-CB 3.49Å; D12-S16 PolarHBondContact O-N 3.48Å; D12-S16 PolarHBondContact O-OG 3.46Å; V13-S16 CarbonylContact O-C 3.56Å; V13-S16 WeakPolarHBondContact O-CA 3.42Å; V13-S16 WeakPolarHBondContact O-CB 3.14Å; V13-S16 PolarHBondContact O-N 3.03Å; E14-S16 VanDerWaalsContact C-N 3.29Å; E14-S16 PolarHBondContact O-N 3.23Å; S16-V18 VanDerWaalsContact C-N 3.34Å; S16-H19 PolarHBondContact O-N 3.41Å; S16-L20 WeakPolarHBondContact O-CB 3.4Å; S16-L20 PolarHBondContact O-N 3.45Å
17I97.5Very high96.2Very high73 Ų7366 Ų6637%0.37436%0.361SS..Hα-helixtrans-64.1-39.7174.4-69.3166.1000110.6V13 E14 K15 H19 L20 V21 I55V13-I17 HydrophobicContact CG1-CD1 4.02Å; V13-I17 HydrophobicContact CG1-CG1 4.43Å; V13-I17 WeakPolarHBondContact O-CG1 3.46Å; V13-I17 PolarHBondContact O-N 3.24Å; E14-I17 WeakPolarHBondContact O-CB 3.41Å; E14-I17 PolarHBondContact O-N 3.06Å; K15-I17 VanDerWaalsContact C-N 3.32Å; K15-I17 PolarHBondContact O-N 2.99Å; I17-H19 VanDerWaalsContact C-N 3.33Å; I17-H19 PolarHBondContact O-N 2.92Å; I17-L20 WeakPolarHBondContact O-CB 3.33Å; I17-L20 PolarHBondContact O-N 3.45Å; I17-V21 HydrophobicContact CG2-CG2 4.47Å; I17-V21 WeakPolarHBondContact O-CG2 3.29Å; I17-V21 PolarHBondContact O-N 3.25Å; I17-I55 HydrophobicContact CG1-CD1 3.88Å; I17-I55 HydrophobicContact CG1-CG2 4.33Å
18V97.1Very high96.5Very high96 Ų9667.1 Ų67.158%0.58237%0.368SS*.Hα-helixtrans-58.8-47174.9178.20000110.8E14 K15 S16 L20 V21 Q22E14-V18 PolarHBondContact O-N 2.87Å; K15-V18 WeakPolarHBondContact O-CB 3.24Å; K15-V18 PolarHBondContact O-N 3.06Å; S16-V18 VanDerWaalsContact C-N 3.34Å; V18-L20 PolarHBondContact O-N 2.89Å; V18-V21 PolarHBondContact O-N 3.47Å; V18-Q22 WeakPolarHBondContact O-CB 3.43Å; V18-Q22 PolarHBondContact O-N 3.36Å
19H95.6Very high96.6Very high88 Ų8867.8 Ų67.841%0.40737%0.373SS..Hα-helixtrans-66.5-35.7176.4-70.7-55.5000113.3K15 S16 I17 Q22 S23K15-H19 PolarHBondContact O-CD2 2.91Å; K15-H19 PolarHBondContact O-N 3.46Å; S16-H19 PolarHBondContact O-N 3.41Å; I17-H19 VanDerWaalsContact C-N 3.33Å; I17-H19 PolarHBondContact O-N 2.92Å; H19-Q22 PolarHBondContact ND1-OE1 3.47Å; H19-Q22 WeakPolarHBondContact O-CB 3.46Å; H19-Q22 PolarHBondContact O-N 3.49Å; H19-S23 PolarHBondContact O-N 3.28Å; H19-S23 PolarHBondContact O-OG 2.94Å
20L97.5Very high96.7Very high16 Ų1665 Ų658%0.08436%0.361CS..Hα-helixtrans-58-51174179.876.7000110.5S16 I17 V18 Q22 S23 A24 F48 R51 L52 I55S16-L20 WeakPolarHBondContact O-CB 3.4Å; S16-L20 PolarHBondContact O-N 3.45Å; I17-L20 WeakPolarHBondContact O-CB 3.33Å; I17-L20 PolarHBondContact O-N 3.45Å; V18-L20 PolarHBondContact O-N 2.89Å; L20-Q22 VanDerWaalsContact C-N 3.3Å; L20-Q22 PolarHBondContact O-N 3.28Å; L20-S23 PolarHBondContact O-N 3.46Å; L20-A24 PolarHBondContact O-N 2.89Å; L20-F48 HydrophobicContact CD1-CB 4.39Å; L20-F48 HydrophobicContact CD1-CD2 3.35Å; L20-F48 HydrophobicContact CD1-CE2 3.62Å; L20-F48 HydrophobicContact CD1-CG 3.87Å; L20-F48 HydrophobicContact CD1-CZ 4.31Å; L20-F48 WeakPolarHBondContact CD1-O 3.4Å; L20-F48 HydrophobicContact CD2-CE2 4.1Å; L20-F48 HydrophobicContact CG-CD2 3.66Å; L20-F48 HydrophobicContact CG-CE2 3.59Å; L20-F48 HydrophobicContact CG-CZ 4.49Å; L20-F48 WeakPolarHBondContact O-CD2 3.46Å; L20-R51 HydrophobicContact CB-CB 4.46Å; L20-R51 HydrophobicContact CD1-CB 3.69Å; L20-L52 HydrophobicContact CD1-CB 3.94Å; L20-L52 HydrophobicContact CD2-CD1 4.12Å; L20-I55 HydrophobicContact CB-CD1 4.2Å; L20-I55 HydrophobicContact CD2-CD1 4.04Å
21V97.6Very high96.8Very high97 Ų9766 Ų6659%0.58837%0.366SS*.Hα-helixtrans-62.3-39177.8174.10000111I17 V18 A24 G25I17-V21 HydrophobicContact CG2-CG2 4.47Å; I17-V21 WeakPolarHBondContact O-CG2 3.29Å; I17-V21 PolarHBondContact O-N 3.25Å; V18-V21 PolarHBondContact O-N 3.47Å; V21-A24 PolarHBondContact O-N 3.06Å; V21-G25 PolarHBondContact O-N 3.41Å
22Q96.6Very high96.8Very high96 Ų9665.8 Ų65.845%0.44938%0.38SS..Hα-helixtrans-60.8-47.7175.7-174.9-177.52.900112.3V18 H19 L20 A24 G25 Q26V18-Q22 WeakPolarHBondContact O-CB 3.43Å; V18-Q22 PolarHBondContact O-N 3.36Å; H19-Q22 PolarHBondContact ND1-OE1 3.47Å; H19-Q22 WeakPolarHBondContact O-CB 3.46Å; H19-Q22 PolarHBondContact O-N 3.49Å; L20-Q22 VanDerWaalsContact C-N 3.3Å; L20-Q22 PolarHBondContact O-N 3.28Å; Q22-A24 VanDerWaalsContact C-N 3.33Å; Q22-A24 PolarHBondContact O-N 3.27Å; Q22-G25 PolarHBondContact O-N 2.91Å; Q22-Q26 WeakPolarHBondContact O-CG 3.4Å; Q22-Q26 PolarHBondContact O-N 3.48Å
23S95.6Very high96.8Very high10 Ų1066.9 Ų66.97%0.0738%0.381CS..Hα-helixtrans-61.5-40.4176.4-720000111.9H19 L20 Q26 C27 Q44H19-S23 PolarHBondContact O-N 3.28Å; H19-S23 PolarHBondContact O-OG 2.94Å; L20-S23 PolarHBondContact O-N 3.46Å; S23-Q26 PolarHBondContact O-N 3.41Å; S23-C27 WeakPolarHBondContact O-CB 3.03Å; S23-C27 PolarHBondContact O-N 3.38Å; S23-Q44 PolarHBondContact OG-OE1 3.32Å
24A97.7Very high96.7Very high28 Ų2874.8 Ų74.823%0.23142%0.423CS..Hα-helixtrans-61.4-47.3173.800000111.9L20 V21 Q22 Q26 C27 L28 F48L20-A24 PolarHBondContact O-N 2.89Å; V21-A24 PolarHBondContact O-N 3.06Å; Q22-A24 VanDerWaalsContact C-N 3.33Å; Q22-A24 PolarHBondContact O-N 3.27Å; A24-Q26 PolarHBondContact O-N 2.87Å; A24-C27 WeakPolarHBondContact O-CB 3.34Å; A24-C27 PolarHBondContact O-N 2.91Å; A24-L28 WeakPolarHBondContact O-CG 3.4Å; A24-L28 PolarHBondContact O-N 2.95Å; A24-F48 HydrophobicContact CB-CD2 3.73Å; A24-F48 HydrophobicContact CB-CE2 3.95Å
25G97.6Very high96.7Very high39 Ų3977.6 Ų77.640%0.40243%0.433SS..Hα-helixtrans-60.9-42.8177.800000112.8V21 Q22 L28 A29V21-G25 PolarHBondContact O-N 3.41Å; Q22-G25 PolarHBondContact O-N 2.91Å; G25-L28 PolarHBondContact O-N 3.02Å; G25-A29 VanDerWaalsContact O-CB 3.24Å; G25-A29 WeakPolarHBondContact O-CB 3.39Å; G25-A29 PolarHBondContact O-N 3.31Å
26Q96.7Very high96.6Very high85 Ų8575.4 Ų75.440%0.39743%0.429SS..Hα-helixtrans-64.8-41175.8-73.5-179.2-15.600112.3Q22 S23 A24 A29 E30 Q44Q22-Q26 WeakPolarHBondContact O-CG 3.4Å; Q22-Q26 PolarHBondContact O-N 3.48Å; S23-Q26 PolarHBondContact O-N 3.41Å; A24-Q26 PolarHBondContact O-N 2.87Å; Q26-A29 PolarHBondContact O-N 2.98Å; Q26-E30 WeakPolarHBondContact O-CB 3.47Å; Q26-E30 PolarHBondContact O-N 3.3Å; Q26-Q44 HydrophobicContact CB-CG 4.12Å
27C97.5Very high96.7Very high15 Ų1575.6 Ų75.610%0.10143%0.433CS..Hα-helixtrans-59.5-51.5174.8-174.80000111.3S23 A24 A29 E30 I31 A41 Q44S23-C27 WeakPolarHBondContact O-CB 3.03Å; S23-C27 PolarHBondContact O-N 3.38Å; A24-C27 WeakPolarHBondContact O-CB 3.34Å; A24-C27 PolarHBondContact O-N 2.91Å; C27-A29 PolarHBondContact O-N 3.39Å; C27-E30 PolarHBondContact O-N 2.65Å; C27-I31 WeakPolarHBondContact O-CG1 3.49Å; C27-I31 PolarHBondContact O-N 3.33Å; C27-A41 PolarHBondContact SG-O 3.43Å; C27-A41 VanDerWaalsContact SG-O 3.38Å; C27-Q44 HydrophobicContact CB-CB 3.7Å
28L97.5Very high96.6Very high125 Ų12576.1 Ų76.165%0.65444%0.439SS*.Hα-helixtrans-63.4-41.7179.6-68.2174.2000112.2A24 G25 E30 I31 G32A24-L28 WeakPolarHBondContact O-CG 3.4Å; A24-L28 PolarHBondContact O-N 2.95Å; G25-L28 PolarHBondContact O-N 3.02Å; L28-E30 VanDerWaalsContact C-N 3.29Å; L28-E30 PolarHBondContact O-N 3.2Å; L28-I31 PolarHBondContact O-N 3.42Å; L28-G32 PolarHBondContact O-N 2.85Å
29A97Very high96.6Very high63 Ų6382 Ų8252%0.52145%0.451SS..Hα-helixtrans-63.4-35.5176.900000112.3G25 Q26 C27G25-A29 VanDerWaalsContact O-CB 3.24Å; G25-A29 WeakPolarHBondContact O-CB 3.39Å; G25-A29 PolarHBondContact O-N 3.31Å; Q26-A29 PolarHBondContact O-N 2.98Å; C27-A29 PolarHBondContact O-N 3.39Å
30E96.2Very high96.6Very high15 Ų1581.7 Ų81.77%0.0745%0.452CS..Hα-helixtrans-70.5-43.4176-171.457.6-135.600111.9Q26 C27 L28 G32 K33 A37 L40 A41Q26-E30 WeakPolarHBondContact O-CB 3.47Å; Q26-E30 PolarHBondContact O-N 3.3Å; C27-E30 PolarHBondContact O-N 2.65Å; L28-E30 VanDerWaalsContact C-N 3.29Å; L28-E30 PolarHBondContact O-N 3.2Å; E30-G32 PolarHBondContact O-N 3.48Å; E30-K33 PolarHBondContact O-N 2.96Å; E30-K33 IonicContact OE1-NZ 3.62Å; E30-K33 WeakPolarHBondContact OE2-CE 3.28Å; E30-K33 IonicContact OE2-NZ 2.65Å; E30-K33 PolarHBondContact OE2-NZ 3.4Å; E30-A37 HydrophobicContact CG-CB 4.26Å; E30-A37 WeakPolarHBondContact OE1-CB 3.37Å; E30-A37 PolarHBondContact OE1-N 3.27Å; E30-L40 HydrophobicContact CG-CB 4.42Å; E30-L40 HydrophobicContact CG-CD2 4.31Å; E30-L40 HydrophobicContact CG-CG 4.42Å; E30-A41 HydrophobicContact CB-CB 4.34Å; E30-A41 HydrophobicContact CG-CB 4.14Å
31I96.5Very high96.5Very high93 Ų9381.3 Ų81.348%0.47745%0.451SS..Hα-helixtrans-63.9-32.7177.6-67.1167.8000111.2C27 L28 K33 T36 A41C27-I31 WeakPolarHBondContact O-CG1 3.49Å; C27-I31 PolarHBondContact O-N 3.33Å; L28-I31 PolarHBondContact O-N 3.42Å; I31-K33 PolarHBondContact O-N 2.89Å; I31-T36 HydrophobicContact CG1-CG2 4.37Å; I31-T36 PolarHBondContact O-OG1 3.5Å; I31-A41 HydrophobicContact CD1-CB 4.36Å; I31-A41 HydrophobicContact CG1-CB 3.88Å
32G96.3Very high96.5Very high67 Ų6781.8 Ų81.869%0.69145%0.447SS*.THydrogen-bonded Turntrans-73.1-4.1178.600000116L28 E30L28-G32 PolarHBondContact O-N 2.85Å; E30-G32 PolarHBondContact O-N 3.48Å
33K96.7Very high96.5Very high111 Ų11179.5 Ų79.548%0.48344%0.442SS..SBendtrans-80148.3178-66174.2-176.8173.60111.6E30 I31 K35 T36E30-K33 PolarHBondContact O-N 2.96Å; E30-K33 IonicContact OE1-NZ 3.62Å; E30-K33 WeakPolarHBondContact OE2-CE 3.28Å; E30-K33 IonicContact OE2-NZ 2.65Å; E30-K33 PolarHBondContact OE2-NZ 3.4Å; I31-K33 PolarHBondContact O-N 2.89Å; K33-K35 PolarHBondContact O-N 3.43Å; K33-K35 VanDerWaalsContact O-N 3.13Å; K33-T36 PolarHBondContact O-OG1 3.03Å
34D94.7Very high96.6Very high177 Ų17780.2 Ų80.295%0.94744%0.444SS*.SBendtrans-55-32.6173.2-62.4-45.8000113
35K96.1Very high96.6Very high190 Ų19080.9 Ų80.983%0.82645%0.449SS*.SBendtrans-121.289.6171.7-67-175.4-177.2179.20109.4K33 A37K33-K35 PolarHBondContact O-N 3.43Å; K33-K35 VanDerWaalsContact O-N 3.13Å; K35-A37 PolarHBondContact O-N 3.35Å
36T95.7Very high96.6Very high60 Ų6084 Ų8437%0.36845%0.453SS..  trans-64126175.9-490000111.4I31 K33 T38I31-T36 HydrophobicContact CG1-CG2 4.37Å; I31-T36 PolarHBondContact O-OG1 3.5Å; K33-T36 PolarHBondContact O-OG1 3.03Å; T36-T38 PolarHBondContact O-N 2.87Å; T36-T38 VanDerWaalsContact O-N 3.12Å
37A96.6Very high96.6Very high44 Ų4482 Ų8236%0.36445%0.445SS..  trans-80.684.4165.300000109.9E30 K35 R39 L40 A41E30-A37 HydrophobicContact CG-CB 4.26Å; E30-A37 WeakPolarHBondContact OE1-CB 3.37Å; E30-A37 PolarHBondContact OE1-N 3.27Å; K35-A37 PolarHBondContact O-N 3.35Å; A37-R39 VanDerWaalsContact C-N 3.3Å; A37-R39 PolarHBondContact O-N 2.91Å; A37-R39 VanDerWaalsContact O-N 3.16Å; A37-L40 HydrophobicContact CB-CB 4.04Å; A37-L40 WeakPolarHBondContact O-CB 3.3Å; A37-L40 PolarHBondContact O-N 3.41Å; A37-A41 PolarHBondContact O-N 2.87Å
38T95.7Very high96.6Very high83 Ų8384.6 Ų84.651%0.50946%0.455SS..Hα-helixtrans-50.9-43.5-173.1-46.30000113.7T36 L40 A41 E42T36-T38 PolarHBondContact O-N 2.87Å; T36-T38 VanDerWaalsContact O-N 3.12Å; T38-L40 VanDerWaalsContact C-N 3.3Å; T38-L40 PolarHBondContact O-N 2.92Å; T38-A41 PolarHBondContact O-N 3.13Å; T38-E42 HydrophobicContact CG2-CG 4.38Å; T38-E42 WeakPolarHBondContact O-CB 3.47Å; T38-E42 WeakPolarHBondContact O-CG 3.22Å; T38-E42 PolarHBondContact O-N 3.31Å
39R96.9Very high96.6Very high219 Ų21981.9 Ų81.983%0.82644%0.443SS*.Hα-helixtrans-61.7-36.8178.3-68.4-176.7-178.2171.10.5113A37 S43A37-R39 VanDerWaalsContact C-N 3.3Å; A37-R39 PolarHBondContact O-N 2.91Å; A37-R39 VanDerWaalsContact O-N 3.16Å; R39-S43 WeakPolarHBondContact O-CB 3.32Å; R39-S43 PolarHBondContact O-N 3.18Å
40L95.8Very high96.6Very high82 Ų8284.7 Ų84.743%0.42944%0.441SS..Hα-helixtrans-70.8-45.6177.5178.660000110.1E30 A37 T38 E42 S43 Q44E30-L40 HydrophobicContact CG-CB 4.42Å; E30-L40 HydrophobicContact CG-CD2 4.31Å; E30-L40 HydrophobicContact CG-CG 4.42Å; A37-L40 HydrophobicContact CB-CB 4.04Å; A37-L40 WeakPolarHBondContact O-CB 3.3Å; A37-L40 PolarHBondContact O-N 3.41Å; T38-L40 VanDerWaalsContact C-N 3.3Å; T38-L40 PolarHBondContact O-N 2.92Å; L40-E42 VanDerWaalsContact C-N 3.35Å; L40-E42 PolarHBondContact O-N 3.3Å; L40-S43 WeakPolarHBondContact O-CB 3.47Å; L40-S43 PolarHBondContact O-N 2.88Å; L40-Q44 HydrophobicContact CD1-CG 4.47Å; L40-Q44 WeakPolarHBondContact O-CG 3.46Å; L40-Q44 PolarHBondContact O-N 3.22Å
41A96.7Very high96.6Very high8 Ų888.5 Ų88.57%0.06645%0.454CS..Hα-helixtrans-58.6-45.8175.700000111.8C27 E30 I31 A37 T38 S43 Q44 A45C27-A41 PolarHBondContact SG-O 3.43Å; C27-A41 VanDerWaalsContact SG-O 3.38Å; E30-A41 HydrophobicContact CB-CB 4.34Å; E30-A41 HydrophobicContact CG-CB 4.14Å; I31-A41 HydrophobicContact CD1-CB 4.36Å; I31-A41 HydrophobicContact CG1-CB 3.88Å; A37-A41 PolarHBondContact O-N 2.87Å; T38-A41 PolarHBondContact O-N 3.13Å; A41-S43 PolarHBondContact O-N 3.46Å; A41-Q44 PolarHBondContact O-N 3.13Å; A41-A45 WeakPolarHBondContact O-CB 3.34Å; A41-A45 PolarHBondContact O-N 3.37Å
42E96.7Very high96.7Very high108 Ų10887.5 Ų87.551%0.50545%0.45SS..Hα-helixtrans-59.6-45174.9-75.7172.3-178.800112.1T38 L40 Q44 A45 Q46T38-E42 HydrophobicContact CG2-CG 4.38Å; T38-E42 WeakPolarHBondContact O-CB 3.47Å; T38-E42 WeakPolarHBondContact O-CG 3.22Å; T38-E42 PolarHBondContact O-N 3.31Å; L40-E42 VanDerWaalsContact C-N 3.35Å; L40-E42 PolarHBondContact O-N 3.3Å; E42-Q44 VanDerWaalsContact C-N 3.32Å; E42-Q44 PolarHBondContact O-N 3.27Å; E42-A45 PolarHBondContact O-N 3.06Å; E42-Q46 WeakPolarHBondContact O-CB 3.31Å; E42-Q46 VanDerWaalsContact O-CG 3.29Å; E42-Q46 WeakPolarHBondContact O-CG 3.36Å; E42-Q46 PolarHBondContact O-N 3.45Å
43S97.3Very high96.7Very high48 Ų4890 Ų9034%0.33644%0.444SS..Hα-helixtrans-58.5-44.7176-171.80000111.5R39 L40 A41 Q46 D47R39-S43 WeakPolarHBondContact O-CB 3.32Å; R39-S43 PolarHBondContact O-N 3.18Å; L40-S43 WeakPolarHBondContact O-CB 3.47Å; L40-S43 PolarHBondContact O-N 2.88Å; A41-S43 PolarHBondContact O-N 3.46Å; S43-Q46 PolarHBondContact O-N 3.43Å; S43-D47 PolarHBondContact O-N 3.32Å
44Q97.3Very high96.7Very high25 Ų2587.4 Ų87.412%0.11744%0.442CS..Hα-helixtrans-66.5-38.6178.8-66.6-60.5-21.300112.5S23 Q26 C27 L40 A41 E42 Q46 D47 F48S23-Q44 PolarHBondContact OG-OE1 3.32Å; Q26-Q44 HydrophobicContact CB-CG 4.12Å; C27-Q44 HydrophobicContact CB-CB 3.7Å; L40-Q44 HydrophobicContact CD1-CG 4.47Å; L40-Q44 WeakPolarHBondContact O-CG 3.46Å; L40-Q44 PolarHBondContact O-N 3.22Å; A41-Q44 PolarHBondContact O-N 3.13Å; E42-Q44 VanDerWaalsContact C-N 3.32Å; E42-Q44 PolarHBondContact O-N 3.27Å; Q44-Q46 VanDerWaalsContact C-N 3.34Å; Q44-D47 PolarHBondContact O-N 3.38Å; Q44-F48 WeakPolarHBondContact O-CB 3.37Å; Q44-F48 PolarHBondContact O-N 2.83Å
45A97.4Very high96.8Very high41 Ų4179.5 Ų79.534%0.33940%0.4SS..Hα-helixtrans-64.8-38.6173.800000112.1A41 E42 T49A41-A45 WeakPolarHBondContact O-CB 3.34Å; A41-A45 PolarHBondContact O-N 3.37Å; E42-A45 PolarHBondContact O-N 3.06Å; A45-T49 PolarHBondContact O-N 2.93Å; A45-T49 PolarHBondContact O-OG1 3.47Å
46Q97.5Very high96.9Very high106 Ų10675.7 Ų75.750%0.49539%0.385SS..Hα-helixtrans-68.2-41.8174.9-71.9178.94.200112.1E42 S43 Q44 F48 T49 R50E42-Q46 WeakPolarHBondContact O-CB 3.31Å; E42-Q46 VanDerWaalsContact O-CG 3.29Å; E42-Q46 WeakPolarHBondContact O-CG 3.36Å; E42-Q46 PolarHBondContact O-N 3.45Å; S43-Q46 PolarHBondContact O-N 3.43Å; Q44-Q46 VanDerWaalsContact C-N 3.34Å; Q46-F48 VanDerWaalsContact C-N 3.34Å; Q46-T49 PolarHBondContact O-N 3.48Å; Q46-R50 WeakPolarHBondContact O-CG 3.46Å; Q46-R50 PolarHBondContact O-N 2.85Å
47D96.6Very high96.9Very high43 Ų4379.1 Ų79.123%0.2340%0.395CS..Hα-helixtrans-60.8-43.9174.3-79.6-37.8000111.5S43 Q44 R50 R51S43-D47 PolarHBondContact O-N 3.32Å; Q44-D47 PolarHBondContact O-N 3.38Å; D47-R50 PolarHBondContact O-N 3.09Å; D47-R50 IonicContact OD1-CZ 3.55Å; D47-R50 IonicContact OD1-NE 3.69Å; D47-R50 IonicContact OD1-NH2 2.65Å; D47-R50 PolarHBondContact OD1-NH2 3.25Å; D47-R51 WeakPolarHBondContact O-CB 3.37Å; D47-R51 VanDerWaalsContact O-CG 3.29Å; D47-R51 WeakPolarHBondContact O-CG 3.4Å; D47-R51 PolarHBondContact O-N 2.87Å
48F97.9Very high96.9Very high68 Ų6878.5 Ų78.530%0.29839%0.387SS..Hα-helixtrans-55.6-52.6172.2173.5-91000111.2L20 A24 Q44 Q46 R50 R51 L52L20-F48 HydrophobicContact CD1-CB 4.39Å; L20-F48 HydrophobicContact CD1-CD2 3.35Å; L20-F48 HydrophobicContact CD1-CE2 3.62Å; L20-F48 HydrophobicContact CD1-CG 3.87Å; L20-F48 HydrophobicContact CD1-CZ 4.31Å; L20-F48 WeakPolarHBondContact CD1-O 3.4Å; L20-F48 HydrophobicContact CD2-CE2 4.1Å; L20-F48 HydrophobicContact CG-CD2 3.66Å; L20-F48 HydrophobicContact CG-CE2 3.59Å; L20-F48 HydrophobicContact CG-CZ 4.49Å; L20-F48 WeakPolarHBondContact O-CD2 3.46Å; A24-F48 HydrophobicContact CB-CD2 3.73Å; A24-F48 HydrophobicContact CB-CE2 3.95Å; Q44-F48 WeakPolarHBondContact O-CB 3.37Å; Q44-F48 PolarHBondContact O-N 2.83Å; Q46-F48 VanDerWaalsContact C-N 3.34Å; F48-R50 PolarHBondContact O-N 3.14Å; F48-R51 PolarHBondContact O-N 2.81Å; F48-L52 HydrophobicContact CE1-CD2 4.05Å; F48-L52 HydrophobicContact CZ-CD2 4.37Å; F48-L52 WeakPolarHBondContact O-CB 3.47Å; F48-L52 PolarHBondContact O-N 3.32Å
49T97.7Very high96.8Very high68 Ų6877.5 Ų77.542%0.41738%0.378SS..Hα-helixtrans-61-45-177.5-540000111.9A45 Q46 R51 L52 Q53A45-T49 PolarHBondContact O-N 2.93Å; A45-T49 PolarHBondContact O-OG1 3.47Å; Q46-T49 PolarHBondContact O-N 3.48Å; T49-R51 PolarHBondContact O-N 3.12Å; T49-L52 PolarHBondContact O-N 3.42Å; T49-Q53 WeakPolarHBondContact O-CG 3.38Å; T49-Q53 PolarHBondContact O-N 2.87Å
50R96.6Very high96.7Very high122 Ų12270.8 Ų70.846%0.4636%0.358SS..Hα-helixtrans-61.6-44.6177.9-75.4-171.9-71-97.54.4112.1Q46 D47 F48 Q53 A54Q46-R50 WeakPolarHBondContact O-CG 3.46Å; Q46-R50 PolarHBondContact O-N 2.85Å; D47-R50 PolarHBondContact O-N 3.09Å; D47-R50 IonicContact OD1-CZ 3.55Å; D47-R50 IonicContact OD1-NE 3.69Å; D47-R50 IonicContact OD1-NH2 2.65Å; D47-R50 PolarHBondContact OD1-NH2 3.25Å; F48-R50 PolarHBondContact O-N 3.14Å; R50-Q53 PolarHBondContact O-N 3.36Å; R50-A54 PolarHBondContact O-N 3.07Å; R50-A54 VanDerWaalsContact O-N 3.13Å
51R96Very high96.5Very high95 Ų9570.5 Ų70.536%0.35835%0.354SS..Hα-helixtrans-65.3-42178.5-72.9176.1-171.8-77.3-1.7111.3L20 D47 F48 T49 Q53 A54 I55L20-R51 HydrophobicContact CB-CB 4.46Å; L20-R51 HydrophobicContact CD1-CB 3.69Å; D47-R51 WeakPolarHBondContact O-CB 3.37Å; D47-R51 VanDerWaalsContact O-CG 3.29Å; D47-R51 WeakPolarHBondContact O-CG 3.4Å; D47-R51 PolarHBondContact O-N 2.87Å; F48-R51 PolarHBondContact O-N 2.81Å; T49-R51 PolarHBondContact O-N 3.12Å; R51-Q53 VanDerWaalsContact C-N 3.34Å; R51-Q53 PolarHBondContact O-N 3.08Å; R51-A54 PolarHBondContact O-N 3.28Å; R51-I55 WeakPolarHBondContact O-CB 3.39Å; R51-I55 WeakPolarHBondContact O-CD1 3.31Å; R51-I55 VanDerWaalsContact O-CG1 3.3Å; R51-I55 WeakPolarHBondContact O-CG1 3.45Å; R51-I55 PolarHBondContact O-N 2.96Å
52L98.1Very high96.2Very high73 Ų7370.6 Ų70.638%0.38235%0.353SS..Hα-helixtrans-58.7-47.5177.9-177.462.1000110.9L20 F48 T49 A54 I55 E56L20-L52 HydrophobicContact CD1-CB 3.94Å; L20-L52 HydrophobicContact CD2-CD1 4.12Å; F48-L52 HydrophobicContact CE1-CD2 4.05Å; F48-L52 HydrophobicContact CZ-CD2 4.37Å; F48-L52 WeakPolarHBondContact O-CB 3.47Å; F48-L52 PolarHBondContact O-N 3.32Å; T49-L52 PolarHBondContact O-N 3.42Å; L52-A54 VanDerWaalsContact C-N 3.34Å; L52-A54 PolarHBondContact O-N 2.84Å; L52-I55 PolarHBondContact O-N 3.39Å; L52-E56 WeakPolarHBondContact O-CB 3.37Å; L52-E56 PolarHBondContact O-N 2.75Å
53Q97.6Very high95.8Very high120 Ų12069.8 Ų69.856%0.56135%0.351SS*.Hα-helixtrans-60-41.8176.9-71.7173.1-22.100112.5T49 R50 R51 K57T49-Q53 WeakPolarHBondContact O-CG 3.38Å; T49-Q53 PolarHBondContact O-N 2.87Å; R50-Q53 PolarHBondContact O-N 3.36Å; R51-Q53 VanDerWaalsContact C-N 3.34Å; R51-Q53 PolarHBondContact O-N 3.08Å; Q53-K57 WeakPolarHBondContact O-CB 3.44Å; Q53-K57 PolarHBondContact O-N 3.29Å
54A95.9Very high95.2Very high55 Ų5571.5 Ų71.546%0.45536%0.356SS..Hα-helixtrans-67.7-40.8178.500000112.6R50 R51 L52 T58R50-A54 PolarHBondContact O-N 3.07Å; R50-A54 VanDerWaalsContact O-N 3.13Å; R51-A54 PolarHBondContact O-N 3.28Å; L52-A54 VanDerWaalsContact C-N 3.34Å; L52-A54 PolarHBondContact O-N 2.84Å; A54-T58 PolarHBondContact O-N 2.94Å; A54-T58 VanDerWaalsContact O-N 3.14Å; A54-T58 PolarHBondContact O-OG1 3.4Å
55I97.6Very high94.6Very high12 Ų1273 Ų736%0.06236%0.361CS..Hα-helixtrans-62.8-51.8175.4-72.8161.6000110.1V13 I17 L20 R51 L52 K57 T58 I59V13-I55 HydrophobicContact CG1-CG2 3.86Å; I17-I55 HydrophobicContact CG1-CD1 3.88Å; I17-I55 HydrophobicContact CG1-CG2 4.33Å; L20-I55 HydrophobicContact CB-CD1 4.2Å; L20-I55 HydrophobicContact CD2-CD1 4.04Å; R51-I55 WeakPolarHBondContact O-CB 3.39Å; R51-I55 WeakPolarHBondContact O-CD1 3.31Å; R51-I55 VanDerWaalsContact O-CG1 3.3Å; R51-I55 WeakPolarHBondContact O-CG1 3.45Å; R51-I55 PolarHBondContact O-N 2.96Å; L52-I55 PolarHBondContact O-N 3.39Å; I55-K57 VanDerWaalsContact C-N 3.35Å; I55-K57 PolarHBondContact O-N 2.72Å; I55-T58 PolarHBondContact O-N 3.43Å; I55-T58 VanDerWaalsContact O-N 3.13Å; I55-I59 HydrophobicContact CG2-CD1 3.63Å; I55-I59 HydrophobicContact CG2-CG1 4.35Å; I55-I59 WeakPolarHBondContact O-CG1 3.04Å; I55-I59 PolarHBondContact O-N 3.14Å
56E97.3Very high93.8Very high109 Ų10976.2 Ų76.251%0.50937%0.373SS..Hα-helixtrans-56.1-49180-179.7178.3-167.900111.2L52 T58 I59 I60L52-E56 WeakPolarHBondContact O-CB 3.37Å; L52-E56 PolarHBondContact O-N 2.75Å; E56-T58 VanDerWaalsContact C-N 3.32Å; E56-T58 PolarHBondContact O-N 3.2Å; E56-I59 PolarHBondContact O-N 2.99Å; E56-I60 HydrophobicContact CG-CD1 3.7Å; E56-I60 HydrophobicContact CG-CG1 4.41Å; E56-I60 WeakPolarHBondContact O-CB 3.18Å; E56-I60 VanDerWaalsContact O-CG1 3.28Å; E56-I60 WeakPolarHBondContact O-CG1 3.46Å; E56-I60 PolarHBondContact O-N 3.26Å
57K96.2Very high92.9Very high132 Ų13274.1 Ų74.157%0.57437%0.37SS*.Hα-helixtrans-55.1-47.7176.1179.2179.2173.5-178.30111.8Q53 I55 I60 E61Q53-K57 WeakPolarHBondContact O-CB 3.44Å; Q53-K57 PolarHBondContact O-N 3.29Å; I55-K57 VanDerWaalsContact C-N 3.35Å; I55-K57 PolarHBondContact O-N 2.72Å; K57-I60 PolarHBondContact O-N 3.27Å; K57-E61 WeakPolarHBondContact CE-OE1 3.5Å; K57-E61 VanDerWaalsContact O-CG 3.31Å; K57-E61 WeakPolarHBondContact O-CG 3.5Å; K57-E61 PolarHBondContact O-N 3.18Å
58T95.3Very high91.9Very high32 Ų3278 Ų7820%0.19639%0.386CS..Hα-helixtrans-66.1-41.5-177.7-54.50000111.6K9 V13 A54 I55 E56 E61 Q62K9-T58 HydrophobicContact CB-CG2 4.46Å; V13-T58 HydrophobicContact CG2-CG2 3.51Å; A54-T58 PolarHBondContact O-N 2.94Å; A54-T58 VanDerWaalsContact O-N 3.14Å; A54-T58 PolarHBondContact O-OG1 3.4Å; I55-T58 PolarHBondContact O-N 3.43Å; I55-T58 VanDerWaalsContact O-N 3.13Å; E56-T58 VanDerWaalsContact C-N 3.32Å; E56-T58 PolarHBondContact O-N 3.2Å; T58-E61 WeakPolarHBondContact O-CB 3.41Å; T58-E61 PolarHBondContact O-N 3.04Å; T58-Q62 WeakPolarHBondContact O-CG 3.31Å; T58-Q62 PolarHBondContact O-N 2.86Å
59I95.1Very high90.7Very high62 Ų6276.2 Ų76.232%0.31838%0.381SS..Hα-helixtrans-63.9-47.2177.1-70173.6000110.4V13 I55 E56 E61 Q62 I63V13-I59 HydrophobicContact CG1-CD1 4.08Å; V13-I59 HydrophobicContact CG1-CG1 4.09Å; I55-I59 HydrophobicContact CG2-CD1 3.63Å; I55-I59 HydrophobicContact CG2-CG1 4.35Å; I55-I59 WeakPolarHBondContact O-CG1 3.04Å; I55-I59 PolarHBondContact O-N 3.14Å; E56-I59 PolarHBondContact O-N 2.99Å; I59-E61 VanDerWaalsContact C-N 3.31Å; I59-E61 PolarHBondContact O-N 3.46Å; I59-Q62 PolarHBondContact O-N 3.27Å; I59-Q62 VanDerWaalsContact O-N 3.08Å; I59-I63 HydrophobicContact CG2-CD1 3.62Å; I59-I63 HydrophobicContact CG2-CG1 4.21Å; I59-I63 WeakPolarHBondContact O-CG1 3.38Å; I59-I63 PolarHBondContact O-N 3.4Å
60I93.9Very high89.2Confident78 Ų7875.8 Ų75.840%0.439%0.39SS..Hα-helixtrans-58.3-44.5176.8-69.4168.8000110.6E56 K57 Q62 I63 N64E56-I60 HydrophobicContact CG-CD1 3.7Å; E56-I60 HydrophobicContact CG-CG1 4.41Å; E56-I60 WeakPolarHBondContact O-CB 3.18Å; E56-I60 VanDerWaalsContact O-CG1 3.28Å; E56-I60 WeakPolarHBondContact O-CG1 3.46Å; E56-I60 PolarHBondContact O-N 3.26Å; K57-I60 PolarHBondContact O-N 3.27Å; I60-Q62 VanDerWaalsContact C-N 3.3Å; I60-Q62 PolarHBondContact O-N 3.12Å; I60-I63 PolarHBondContact O-N 2.96Å; I60-N64 WeakPolarHBondContact O-CB 3.44Å; I60-N64 PolarHBondContact O-N 3.1Å; I60-N64 PolarHBondContact O-ND2 2.99Å
61E92.3Very high87.5Confident76 Ų7675.6 Ų75.636%0.35540%0.402SS..Hα-helixtrans-57.7-40.5175.2-75.7173.4-168.100112.4K57 T58 I59 Y65K57-E61 WeakPolarHBondContact CE-OE1 3.5Å; K57-E61 VanDerWaalsContact O-CG 3.31Å; K57-E61 WeakPolarHBondContact O-CG 3.5Å; K57-E61 PolarHBondContact O-N 3.18Å; T58-E61 WeakPolarHBondContact O-CB 3.41Å; T58-E61 PolarHBondContact O-N 3.04Å; I59-E61 VanDerWaalsContact C-N 3.31Å; I59-E61 PolarHBondContact O-N 3.46Å; E61-Y65 WeakPolarHBondContact O-CB 3.44Å; E61-Y65 PolarHBondContact O-N 3.31Å; E61-Y65 VanDerWaalsContact O-N 3.12Å
62Q90.5Very high85.3Confident10 Ų1073.2 Ų73.25%0.04741%0.407CS..Hα-helixtrans-74.5-36.6177.4-62-37.8-55.300112.9L10 T58 I59 I60 Y65 L66L10-Q62 HydrophobicContact CD2-CB 4.26Å; L10-Q62 HydrophobicContact CD2-CG 3.81Å; L10-Q62 HydrophobicContact CG-CG 4.12Å; T58-Q62 WeakPolarHBondContact O-CG 3.31Å; T58-Q62 PolarHBondContact O-N 2.86Å; I59-Q62 PolarHBondContact O-N 3.27Å; I59-Q62 VanDerWaalsContact O-N 3.08Å; I60-Q62 VanDerWaalsContact C-N 3.3Å; I60-Q62 PolarHBondContact O-N 3.12Å; Q62-Y65 PolarHBondContact O-N 3.01Å; Q62-L66 WeakPolarHBondContact O-CB 3.41Å; Q62-L66 WeakPolarHBondContact O-CG 3.5Å; Q62-L66 PolarHBondContact O-N 2.99Å
63I87.5Confident83Confident90 Ų9074.2 Ų74.246%0.46243%0.426SS..Hα-helixtrans-64.3-44.4174.7-70.4171.9000110.5I59 I60 Y65 L66 S67I59-I63 HydrophobicContact CG2-CD1 3.62Å; I59-I63 HydrophobicContact CG2-CG1 4.21Å; I59-I63 WeakPolarHBondContact O-CG1 3.38Å; I59-I63 PolarHBondContact O-N 3.4Å; I60-I63 PolarHBondContact O-N 2.96Å; I63-Y65 VanDerWaalsContact C-N 3.33Å; I63-Y65 PolarHBondContact O-N 3.38Å; I63-L66 PolarHBondContact O-N 3.42Å; I63-S67 WeakPolarHBondContact O-CB 3.46Å; I63-S67 PolarHBondContact O-N 3.48Å; I63-S67 PolarHBondContact O-OG 3.44Å
64N86Confident80.7Confident84 Ų8471.5 Ų71.545%0.44942%0.424SS..Hα-helixtrans-61-45.8176.8-72.3-16000110.5I60 L66 S67 E68I60-N64 WeakPolarHBondContact O-CB 3.44Å; I60-N64 PolarHBondContact O-N 3.1Å; I60-N64 PolarHBondContact O-ND2 2.99Å; N64-L66 PolarHBondContact O-N 2.64Å; N64-S67 WeakPolarHBondContact O-CB 3.47Å; N64-S67 PolarHBondContact O-N 3.15Å; N64-S67 VanDerWaalsContact O-N 3.14Å; N64-E68 VanDerWaalsContact O-CG 3.31Å; N64-E68 WeakPolarHBondContact O-CG 3.45Å; N64-E68 PolarHBondContact O-N 3.17Å
65Y83.2Confident78.7Confident56 Ų5672.1 Ų72.122%0.2242%0.417CS..Hα-helixtrans-59-48173.8169.7-106.6000112.5R6 E61 Q62 I63 S67 E68 V69R6-Y65 VanDerWaalsContact CD-CD1 3.5Å; R6-Y65 VanDerWaalsContact NH1-CB 3.32Å; E61-Y65 WeakPolarHBondContact O-CB 3.44Å; E61-Y65 PolarHBondContact O-N 3.31Å; E61-Y65 VanDerWaalsContact O-N 3.12Å; Q62-Y65 PolarHBondContact O-N 3.01Å; I63-Y65 VanDerWaalsContact C-N 3.33Å; I63-Y65 PolarHBondContact O-N 3.38Å; Y65-S67 PolarHBondContact O-N 3.17Å; Y65-E68 WeakPolarHBondContact O-CB 3.36Å; Y65-E68 PolarHBondContact O-N 3.27Å; Y65-E68 VanDerWaalsContact O-N 3.09Å; Y65-V69 HydrophobicContact CD1-CG2 4.28Å; Y65-V69 HydrophobicContact CD2-CG1 3.84Å; Y65-V69 HydrophobicContact CE1-CG1 4.33Å; Y65-V69 HydrophobicContact CE1-CG2 3.87Å; Y65-V69 HydrophobicContact CE2-CB 4.44Å; Y65-V69 HydrophobicContact CE2-CG1 3.28Å; Y65-V69 HydrophobicContact CE2-CG2 4.33Å; Y65-V69 WeakPolarHBondContact O-CG2 3.47Å; Y65-V69 PolarHBondContact O-N 2.97Å
66L80.7Confident76.2Confident110 Ų11078.4 Ų78.458%0.57645%0.447SS*.Hα-helixtrans-60.8-33.4176.5-79173.3000112.1Q62 I63 N64 V69 G70Q62-L66 WeakPolarHBondContact O-CB 3.41Å; Q62-L66 WeakPolarHBondContact O-CG 3.5Å; Q62-L66 PolarHBondContact O-N 2.99Å; I63-L66 PolarHBondContact O-N 3.42Å; N64-L66 PolarHBondContact O-N 2.64Å; L66-V69 HydrophobicContact CD2-CG2 4.47Å; L66-G70 WeakPolarHBondContact O-CA 3.03Å; L66-G70 PolarHBondContact O-N 2.94Å
67S78.8Confident74.2Confident62 Ų6277.5 Ų77.543%0.43445%0.452SS..Hα-helixtrans-67.5-42.3173.5-56.30000110.8I63 N64 Y65 V71I63-S67 WeakPolarHBondContact O-CB 3.46Å; I63-S67 PolarHBondContact O-N 3.48Å; I63-S67 PolarHBondContact O-OG 3.44Å; N64-S67 WeakPolarHBondContact O-CB 3.47Å; N64-S67 PolarHBondContact O-N 3.15Å; N64-S67 VanDerWaalsContact O-N 3.14Å; Y65-S67 PolarHBondContact O-N 3.17Å; S67-V71 WeakPolarHBondContact O-CB 3.24Å; S67-V71 VanDerWaalsContact O-CG2 3.22Å; S67-V71 WeakPolarHBondContact O-CG2 3.43Å; S67-V71 PolarHBondContact O-N 3.42Å
68E76Confident72.2Confident123 Ų12373.7 Ų73.758%0.57544%0.442SS*.Hα-helixtrans-65-40.4177.2-71.2167.9-169.500112.6N64 Y65N64-E68 VanDerWaalsContact O-CG 3.31Å; N64-E68 WeakPolarHBondContact O-CG 3.45Å; N64-E68 PolarHBondContact O-N 3.17Å; Y65-E68 WeakPolarHBondContact O-CB 3.36Å; Y65-E68 PolarHBondContact O-N 3.27Å; Y65-E68 VanDerWaalsContact O-N 3.09Å
69V73.2Confident70.3Confident31 Ų3174.3 Ų74.319%0.18845%0.451CS..Hα-helixtrans-91.9-30.5-178.2-57.80000114.1Y65 L66 H75Y65-V69 HydrophobicContact CD1-CG2 4.28Å; Y65-V69 HydrophobicContact CD2-CG1 3.84Å; Y65-V69 HydrophobicContact CE1-CG1 4.33Å; Y65-V69 HydrophobicContact CE1-CG2 3.87Å; Y65-V69 HydrophobicContact CE2-CB 4.44Å; Y65-V69 HydrophobicContact CE2-CG1 3.28Å; Y65-V69 HydrophobicContact CE2-CG2 4.33Å; Y65-V69 WeakPolarHBondContact O-CG2 3.47Å; Y65-V69 PolarHBondContact O-N 2.97Å; L66-V69 HydrophobicContact CD2-CG2 4.47Å; V69-H75 HydrophobicContact CB-CB 4.11Å; V69-H75 HydrophobicContact CG1-CB 4.45Å; V69-H75 WeakPolarHBondContact O-CB 3.34Å
70G64.6Low68.5Low60 Ų6077.5 Ų77.562%0.61946%0.46SS*.Hα-helixtrans-87.5-25.8-172.700000114.4L66 G72L66-G70 WeakPolarHBondContact O-CA 3.03Å; L66-G70 PolarHBondContact O-N 2.94Å; G70-G72 PolarHBondContact O-N 3.5Å
71V61.4Low67Low117 Ų11775.1 Ų75.171%0.70945%0.45SS*.SBendtrans-80.910.9178.7-174.80000112.2S67 A73S67-V71 WeakPolarHBondContact O-CB 3.24Å; S67-V71 VanDerWaalsContact O-CG2 3.22Å; S67-V71 WeakPolarHBondContact O-CG2 3.43Å; S67-V71 PolarHBondContact O-N 3.42Å; V71-A73 PolarHBondContact O-N 3.1Å
72G49.4Very low66Low45 Ų4577.8 Ų77.846%0.46446%0.462SS..SBendtrans73.9-7.7163.800000116.7G70G70-G72 PolarHBondContact O-N 3.5Å
73A50.6Low65.5Low95 Ų9581 Ų8179%0.78548%0.483SS*.SBendtrans-91.4-28.8-17500000115.1V71V71-A73 PolarHBondContact O-N 3.1Å
74A48.9Very low65Low62 Ų6280.8 Ų80.851%0.51248%0.479SS..SBendtrans-110.9-12-173.900000114.7S77A74-S77 PolarHBondContact O-OG 2.99Å
75H54.3Low64.8Low68 Ų6881.8 Ų81.832%0.31548%0.484SS..G310 helixtrans-93.8-10.5-171141.7-86.5000115.3V69 S77 S78V69-H75 HydrophobicContact CB-CB 4.11Å; V69-H75 HydrophobicContact CG1-CB 4.45Å; V69-H75 WeakPolarHBondContact O-CB 3.34Å; H75-S77 PolarHBondContact O-N 2.98Å; H75-S78 PolarHBondContact O-N 2.76Å
76E45.6Very low65Low145 Ų14584.7 Ų84.768%0.67850%0.498SS*.G310 helixtrans-53.5-23.5165.4-72.2-170.3163.500111.9S81E76-S81 PolarHBondContact O-N 3.07Å
77S53.9Low65.4Low89 Ų8983 Ų8362%0.62249%0.488SS*.G310 helixtrans-93.2-8.5-175.274.70000116.9A74 H75 S81A74-S77 PolarHBondContact O-OG 2.99Å; H75-S77 PolarHBondContact O-N 2.98Å; S77-S81 WeakPolarHBondContact O-CB 3.28Å; S77-S81 PolarHBondContact O-OG 3.3Å
78S55.2Low65.9Low52 Ų5281.9 Ų81.936%0.36448%0.484SS..THydrogen-bonded Turntrans-122.9-56.7-178.273.10000115.2H75 S81 Q82H75-S78 PolarHBondContact O-N 2.76Å; S78-S81 VanDerWaalsContact CA-OG 3.23Å; S78-S81 WeakPolarHBondContact CA-OG 3.37Å; S78-S81 PolarHBondContact N-OG 3.47Å; S78-S81 PolarHBondContact O-OG 2.7Å; S78-S81 VanDerWaalsContact O-OG 3.07Å; S78-Q82 WeakPolarHBondContact O-CB 3.08Å; S78-Q82 VanDerWaalsContact O-CD 3.27Å; S78-Q82 WeakPolarHBondContact O-CG 3.23Å; S78-Q82 PolarHBondContact O-N 3.22Å; S78-Q82 PolarHBondContact O-NE2 3.5Å
79A55.6Low66.8Low45 Ų4579.9 Ų79.937%0.37248%0.479SS..Hα-helixtrans-85.1-45.6178.900000110.7S81 Q82 V83A79-S81 VanDerWaalsContact C-N 3.32Å; A79-S81 PolarHBondContact O-N 3.38Å; A79-Q82 PolarHBondContact O-N 3.22Å; A79-V83 WeakPolarHBondContact O-CG2 3.03Å; A79-V83 PolarHBondContact O-N 3.07Å
80Y57.1Low67.9Low129 Ų12982.3 Ų82.351%0.50649%0.489SS..Hα-helixtrans-63.2-40.9171.8-166.9-98.9000110.9Q82 V83 Q84Y80-Q82 PolarHBondContact O-N 3.33Å; Y80-V83 PolarHBondContact O-N 2.53Å; Y80-Q84 HydrophobicContact CD1-CG 3.67Å; Y80-Q84 HydrophobicContact CE1-CG 3.45Å; Y80-Q84 VanDerWaalsContact CE1-CG 3.45Å; Y80-Q84 HydrophobicContact CG-CG 4.41Å; Y80-Q84 VanDerWaalsContact CZ-NE2 3.29Å; Y80-Q84 WeakPolarHBondContact O-CB 3.22Å; Y80-Q84 VanDerWaalsContact O-CG 3.23Å; Y80-Q84 WeakPolarHBondContact O-CG 3.18Å; Y80-Q84 PolarHBondContact O-N 3.03Å; Y80-Q84 PolarHBondContact OH-NE2 2.82Å; Y80-Q84 VanDerWaalsContact OH-NE2 3.07Å
81S62.7Low69.4Low28 Ų2885.9 Ų85.920%0.19649%0.489CS..Hα-helixtrans-62.9-39.7172.777.40000112.7E76 S77 S78 A79 V83 Q84 I85E76-S81 PolarHBondContact O-N 3.07Å; S77-S81 WeakPolarHBondContact O-CB 3.28Å; S77-S81 PolarHBondContact O-OG 3.3Å; S78-S81 VanDerWaalsContact CA-OG 3.23Å; S78-S81 WeakPolarHBondContact CA-OG 3.37Å; S78-S81 PolarHBondContact N-OG 3.47Å; S78-S81 PolarHBondContact O-OG 2.7Å; S78-S81 VanDerWaalsContact O-OG 3.07Å; A79-S81 VanDerWaalsContact C-N 3.32Å; A79-S81 PolarHBondContact O-N 3.38Å; S81-V83 VanDerWaalsContact C-N 3.32Å; S81-V83 PolarHBondContact O-N 2.82Å; S81-Q84 PolarHBondContact O-N 2.83Å; S81-I85 WeakPolarHBondContact O-CA 3.26Å; S81-I85 WeakPolarHBondContact O-CB 3.23Å; S81-I85 WeakPolarHBondContact O-CD1 3.5Å; S81-I85 WeakPolarHBondContact O-CG1 3.35Å; S81-I85 PolarHBondContact O-N 3.32Å
82Q71.4Confident71.1Confident133 Ų13387.4 Ų87.462%0.62149%0.486SS*.Hα-helixtrans-62.6-41.7176.6-84.9168.668.500111.4S78 A79 Y80 K86S78-Q82 WeakPolarHBondContact O-CB 3.08Å; S78-Q82 VanDerWaalsContact O-CD 3.27Å; S78-Q82 WeakPolarHBondContact O-CG 3.23Å; S78-Q82 PolarHBondContact O-N 3.22Å; S78-Q82 PolarHBondContact O-NE2 3.5Å; A79-Q82 PolarHBondContact O-N 3.22Å; Y80-Q82 PolarHBondContact O-N 3.33Å; Q82-K86 VanDerWaalsContact O-CB 3.26Å; Q82-K86 WeakPolarHBondContact O-CB 3.07Å; Q82-K86 PolarHBondContact O-N 3.32Å
83V79.3Confident73.4Confident78 Ų7888.4 Ų88.447%0.47348%0.483SS..Hα-helixtrans-66.8-43.8175.8174.40000111A79 Y80 S81 K86 L87A79-V83 WeakPolarHBondContact O-CG2 3.03Å; A79-V83 PolarHBondContact O-N 3.07Å; Y80-V83 PolarHBondContact O-N 2.53Å; S81-V83 VanDerWaalsContact C-N 3.32Å; S81-V83 PolarHBondContact O-N 2.82Å; V83-K86 PolarHBondContact O-N 3.45Å; V83-L87 HydrophobicContact CG1-CD1 3.78Å; V83-L87 HydrophobicContact CG1-CG 4.44Å; V83-L87 WeakPolarHBondContact O-CB 3.19Å; V83-L87 VanDerWaalsContact O-CG 3.3Å; V83-L87 WeakPolarHBondContact O-CG 3.36Å; V83-L87 PolarHBondContact O-N 2.85Å
84Q78Confident75.6Confident84 Ų8488.3 Ų88.339%0.39347%0.47SS..Hα-helixtrans-64.9-40.9175.9-72.6-65.3-31.500112.3Y80 S81 L87 A88Y80-Q84 HydrophobicContact CD1-CG 3.67Å; Y80-Q84 HydrophobicContact CE1-CG 3.45Å; Y80-Q84 VanDerWaalsContact CE1-CG 3.45Å; Y80-Q84 HydrophobicContact CG-CG 4.41Å; Y80-Q84 VanDerWaalsContact CZ-NE2 3.29Å; Y80-Q84 WeakPolarHBondContact O-CB 3.22Å; Y80-Q84 VanDerWaalsContact O-CG 3.23Å; Y80-Q84 WeakPolarHBondContact O-CG 3.18Å; Y80-Q84 PolarHBondContact O-N 3.03Å; Y80-Q84 PolarHBondContact OH-NE2 2.82Å; Y80-Q84 VanDerWaalsContact OH-NE2 3.07Å; S81-Q84 PolarHBondContact O-N 2.83Å; Q84-L87 PolarHBondContact O-N 3.39Å; Q84-A88 WeakPolarHBondContact O-CB 3.37Å; Q84-A88 PolarHBondContact O-N 3.16Å
85I81.5Confident77.9Confident105 Ų10592.7 Ų92.754%0.53847%0.474SS..Hα-helixtrans-63.6-44.8174.6-72.5163.7000109.3S81 A88 V89S81-I85 WeakPolarHBondContact O-CA 3.26Å; S81-I85 WeakPolarHBondContact O-CB 3.23Å; S81-I85 WeakPolarHBondContact O-CD1 3.5Å; S81-I85 WeakPolarHBondContact O-CG1 3.35Å; S81-I85 PolarHBondContact O-N 3.32Å; I85-A88 PolarHBondContact O-N 3.41Å; I85-V89 HydrophobicContact CG2-CG2 4.36Å; I85-V89 WeakPolarHBondContact O-CB 3.3Å; I85-V89 WeakPolarHBondContact O-CG2 3.38Å; I85-V89 PolarHBondContact O-N 3.46Å
86K86.3Confident80Confident118 Ų11893.8 Ų93.851%0.51349%0.485SS..Hα-helixtrans-60.1-50.8175.6177.1-177.4171.3-72.10110.9Q82 V83 A88 V89 E90Q82-K86 VanDerWaalsContact O-CB 3.26Å; Q82-K86 WeakPolarHBondContact O-CB 3.07Å; Q82-K86 PolarHBondContact O-N 3.32Å; V83-K86 PolarHBondContact O-N 3.45Å; K86-A88 VanDerWaalsContact C-N 3.35Å; K86-A88 PolarHBondContact O-N 2.79Å; K86-V89 PolarHBondContact O-N 3.42Å; K86-V89 VanDerWaalsContact O-N 3.16Å; K86-E90 VanDerWaalsContact CE-OE1 3.31Å; K86-E90 WeakPolarHBondContact CE-OE1 3.17Å; K86-E90 IonicContact NZ-OE1 2.83Å; K86-E90 PolarHBondContact NZ-OE1 2.63Å; K86-E90 IonicContact NZ-OE2 2.64Å; K86-E90 PolarHBondContact NZ-OE2 2.83Å; K86-E90 WeakPolarHBondContact O-CG 3.31Å; K86-E90 PolarHBondContact O-N 2.83Å
87L89.6Confident82.5Confident73 Ų7394.2 Ų94.238%0.38248%0.482SS..Hα-helixtrans-58.3-46.5177.6-76.6162.2000111V83 Q84 V89 E90 E91V83-L87 HydrophobicContact CG1-CD1 3.78Å; V83-L87 HydrophobicContact CG1-CG 4.44Å; V83-L87 WeakPolarHBondContact O-CB 3.19Å; V83-L87 VanDerWaalsContact O-CG 3.3Å; V83-L87 WeakPolarHBondContact O-CG 3.36Å; V83-L87 PolarHBondContact O-N 2.85Å; Q84-L87 PolarHBondContact O-N 3.39Å; L87-V89 VanDerWaalsContact C-N 3.32Å; L87-V89 PolarHBondContact O-N 2.84Å; L87-E90 WeakPolarHBondContact O-CB 3.26Å; L87-E90 PolarHBondContact O-N 3.04Å; L87-E91 WeakPolarHBondContact O-CG 3.47Å; L87-E91 PolarHBondContact O-N 2.92Å
88A89.6Confident84.5Confident40 Ų4096 Ų9633%0.33148%0.48SS..Hα-helixtrans-64.3-34.1176.900000112.8Q84 I85 K86 K92Q84-A88 WeakPolarHBondContact O-CB 3.37Å; Q84-A88 PolarHBondContact O-N 3.16Å; I85-A88 PolarHBondContact O-N 3.41Å; K86-A88 VanDerWaalsContact C-N 3.35Å; K86-A88 PolarHBondContact O-N 2.79Å; A88-K92 WeakPolarHBondContact O-CB 3.38Å; A88-K92 VanDerWaalsContact O-CG 3.26Å; A88-K92 WeakPolarHBondContact O-CG 3.47Å; A88-K92 PolarHBondContact O-N 2.89Å
89V94Very high86.5Confident80 Ų8095 Ų9549%0.48547%0.472SS..Hα-helixtrans-69-43.3173167.70000110.4I85 K86 L87 K92 V93I85-V89 HydrophobicContact CG2-CG2 4.36Å; I85-V89 WeakPolarHBondContact O-CB 3.3Å; I85-V89 WeakPolarHBondContact O-CG2 3.38Å; I85-V89 PolarHBondContact O-N 3.46Å; K86-V89 PolarHBondContact O-N 3.42Å; K86-V89 VanDerWaalsContact O-N 3.16Å; L87-V89 VanDerWaalsContact C-N 3.32Å; L87-V89 PolarHBondContact O-N 2.84Å; V89-K92 PolarHBondContact O-N 3.46Å; V89-V93 HydrophobicContact CG1-CG2 4.4Å; V89-V93 WeakPolarHBondContact O-CB 3.48Å; V89-V93 VanDerWaalsContact O-CG2 3.29Å; V89-V93 WeakPolarHBondContact O-CG2 3.45Å; V89-V93 PolarHBondContact O-N 3.49Å
90E96.3Very high88.5Confident82 Ų8296.4 Ų96.438%0.38347%0.473SS..Hα-helixtrans-60.9-44.4175.8-73.8173.5149.700111.3K86 L87 K92 V93 N94K86-E90 VanDerWaalsContact CE-OE1 3.31Å; K86-E90 WeakPolarHBondContact CE-OE1 3.17Å; K86-E90 IonicContact NZ-OE1 2.83Å; K86-E90 PolarHBondContact NZ-OE1 2.63Å; K86-E90 IonicContact NZ-OE2 2.64Å; K86-E90 PolarHBondContact NZ-OE2 2.83Å; K86-E90 WeakPolarHBondContact O-CG 3.31Å; K86-E90 PolarHBondContact O-N 2.83Å; L87-E90 WeakPolarHBondContact O-CB 3.26Å; L87-E90 PolarHBondContact O-N 3.04Å; E90-K92 PolarHBondContact O-N 2.94Å; E90-V93 PolarHBondContact O-N 3.27Å; E90-N94 WeakPolarHBondContact O-CB 3.46Å; E90-N94 VanDerWaalsContact O-CG 3.28Å; E90-N94 PolarHBondContact O-N 2.84Å; E90-N94 PolarHBondContact O-ND2 3.36Å
91E96.6Very high90.4Very high135 Ų13591.9 Ų91.963%0.63146%0.462SS*.Hα-helixtrans-59.7-45.4173.7-74.6177171.100112L87 V93 N94 Y95L87-E91 WeakPolarHBondContact O-CG 3.47Å; L87-E91 PolarHBondContact O-N 2.92Å; E91-V93 PolarHBondContact O-N 3.3Å; E91-N94 PolarHBondContact O-N 3.18Å; E91-Y95 WeakPolarHBondContact O-CB 3.29Å; E91-Y95 PolarHBondContact O-N 3.21Å
92K96.3Very high92Very high149 Ų14996.4 Ų96.465%0.64848%0.48SS*.Hα-helixtrans-64.1-38.8177.1-76.9178.8-179-175.30112.7A88 V89 E90 Y95 V96A88-K92 WeakPolarHBondContact O-CB 3.38Å; A88-K92 VanDerWaalsContact O-CG 3.26Å; A88-K92 WeakPolarHBondContact O-CG 3.47Å; A88-K92 PolarHBondContact O-N 2.89Å; V89-K92 PolarHBondContact O-N 3.46Å; E90-K92 PolarHBondContact O-N 2.94Å; K92-Y95 PolarHBondContact O-N 3.11Å; K92-V96 WeakPolarHBondContact O-CG2 3.47Å; K92-V96 PolarHBondContact O-N 3.42Å; K92-V96 VanDerWaalsContact O-N 3.11Å
93V97.7Very high93.1Very high66 Ų6695.2 Ų95.240%0.447%0.473SS..Hα-helixtrans-65.9-45.1176.8166.60000110.5V89 E90 E91 Y95 V96 Y97V89-V93 HydrophobicContact CG1-CG2 4.4Å; V89-V93 WeakPolarHBondContact O-CB 3.48Å; V89-V93 VanDerWaalsContact O-CG2 3.29Å; V89-V93 WeakPolarHBondContact O-CG2 3.45Å; V89-V93 PolarHBondContact O-N 3.49Å; E90-V93 PolarHBondContact O-N 3.27Å; E91-V93 PolarHBondContact O-N 3.3Å; V93-Y95 VanDerWaalsContact C-N 3.35Å; V93-Y95 PolarHBondContact O-N 3.04Å; V93-V96 PolarHBondContact O-N 2.94Å; V93-Y97 HydrophobicContact CG1-CD2 3.71Å; V93-Y97 HydrophobicContact CG1-CE2 3.31Å; V93-Y97 WeakPolarHBondContact O-CD2 3.48Å; V93-Y97 PolarHBondContact O-N 3.47Å
94N97.8Very high93.8Very high94 Ų9498 Ų9850%0.50348%0.475SS..Hα-helixtrans-59.5-45.4175.5-72.5-16.7000111.6E90 E91 V96 Y97 E98E90-N94 WeakPolarHBondContact O-CB 3.46Å; E90-N94 VanDerWaalsContact O-CG 3.28Å; E90-N94 PolarHBondContact O-N 2.84Å; E90-N94 PolarHBondContact O-ND2 3.36Å; E91-N94 PolarHBondContact O-N 3.18Å; N94-V96 VanDerWaalsContact C-N 3.31Å; N94-V96 PolarHBondContact O-N 3.49Å; N94-Y97 WeakPolarHBondContact O-CB 3.2Å; N94-Y97 PolarHBondContact O-N 3.47Å; N94-Y97 VanDerWaalsContact O-N 3.1Å; N94-E98 WeakPolarHBondContact O-CG 3.33Å; N94-E98 PolarHBondContact O-N 3.34Å
95Y97.4Very high94.6Very high153 Ų153101.7 Ų101.760%0.649%0.486SS*.Hα-helixtrans-57.3-42175.7174.5-98000112.7E91 K92 V93 E98 T99E91-Y95 WeakPolarHBondContact O-CB 3.29Å; E91-Y95 PolarHBondContact O-N 3.21Å; K92-Y95 PolarHBondContact O-N 3.11Å; V93-Y95 VanDerWaalsContact C-N 3.35Å; V93-Y95 PolarHBondContact O-N 3.04Å; Y95-E98 PolarHBondContact O-N 3.33Å; Y95-T99 WeakPolarHBondContact O-CB 3.28Å; Y95-T99 PolarHBondContact O-N 3.43Å; Y95-T99 PolarHBondContact O-OG1 2.93Å
96V97.5Very high95.1Very high91 Ų91104.8 Ų104.855%0.55249%0.49SS*.Hα-helixtrans-65-40.2176.4170.50000111.3K92 V93 N94 L100K92-V96 WeakPolarHBondContact O-CG2 3.47Å; K92-V96 PolarHBondContact O-N 3.42Å; K92-V96 VanDerWaalsContact O-N 3.11Å; V93-V96 PolarHBondContact O-N 2.94Å; N94-V96 VanDerWaalsContact C-N 3.31Å; N94-V96 PolarHBondContact O-N 3.49Å; V96-L100 VanDerWaalsContact O-CB 3.28Å; V96-L100 WeakPolarHBondContact O-CB 3.38Å; V96-L100 PolarHBondContact O-N 2.81Å
97Y97.7Very high95.5Very high155 Ų155106.9 Ų106.961%0.60850%0.495SS*.Hα-helixtrans-64-42.6175.9-76.7-57.8000112.6V93 N94 L100 A101V93-Y97 HydrophobicContact CG1-CD2 3.71Å; V93-Y97 HydrophobicContact CG1-CE2 3.31Å; V93-Y97 WeakPolarHBondContact O-CD2 3.48Å; V93-Y97 PolarHBondContact O-N 3.47Å; N94-Y97 WeakPolarHBondContact O-CB 3.2Å; N94-Y97 PolarHBondContact O-N 3.47Å; N94-Y97 VanDerWaalsContact O-N 3.1Å; Y97-L100 PolarHBondContact O-N 2.93Å; Y97-A101 WeakPolarHBondContact O-CB 3.34Å; Y97-A101 PolarHBondContact O-N 3.1Å
98E97.6Very high95.5Very high125 Ų125108.8 Ų108.858%0.58450%0.502SS*.Hα-helixtrans-63.2-49.2176.5-72176.9174.100111.2N94 Y95 L100 A101 E102N94-E98 WeakPolarHBondContact O-CG 3.33Å; N94-E98 PolarHBondContact O-N 3.34Å; Y95-E98 PolarHBondContact O-N 3.33Å; E98-L100 VanDerWaalsContact C-N 3.3Å; E98-L100 PolarHBondContact O-N 2.97Å; E98-A101 WeakPolarHBondContact O-CB 3.12Å; E98-A101 PolarHBondContact O-N 3.01Å; E98-E102 PolarHBondContact O-N 2.92Å
99T97Very high95.5Very high33 Ų33110.4 Ų110.420%0.20251%0.511CS..Hα-helixtrans-58.3-42.6177.4-59.10000111.3Y95 A101 E102 F103Y95-T99 WeakPolarHBondContact O-CB 3.28Å; Y95-T99 PolarHBondContact O-N 3.43Å; Y95-T99 PolarHBondContact O-OG1 2.93Å; T99-A101 PolarHBondContact O-N 3.37Å; T99-E102 PolarHBondContact O-N 3.5Å; T99-F103 HydrophobicContact CG2-CD2 3.8Å; T99-F103 HydrophobicContact CG2-CE2 3.37Å; T99-F103 HydrophobicContact CG2-CZ 4.27Å; T99-F103 WeakPolarHBondContact O-CD2 3.4Å; T99-F103 PolarHBondContact O-N 3.05Å
100L96.7Very high95.1Very high74 Ų74109.1 Ų109.139%0.38751%0.509SS..Hα-helixtrans-64.2-39.8176-171.178.9000111.9V96 Y97 E98 F103 R104V96-L100 VanDerWaalsContact O-CB 3.28Å; V96-L100 WeakPolarHBondContact O-CB 3.38Å; V96-L100 PolarHBondContact O-N 2.81Å; Y97-L100 PolarHBondContact O-N 2.93Å; E98-L100 VanDerWaalsContact C-N 3.3Å; E98-L100 PolarHBondContact O-N 2.97Å; L100-F103 PolarHBondContact O-N 3Å; L100-R104 VanDerWaalsContact CD2-NH2 3.32Å; L100-R104 WeakPolarHBondContact O-CG 3.45Å; L100-R104 PolarHBondContact O-N 3.44Å
101A96.6Very high94.3Very high33 Ų33109 Ų10927%0.27351%0.514SS..Hα-helixtrans-65.1-40.7176.700000111.7Y97 E98 T99 R104 R105Y97-A101 WeakPolarHBondContact O-CB 3.34Å; Y97-A101 PolarHBondContact O-N 3.1Å; E98-A101 WeakPolarHBondContact O-CB 3.12Å; E98-A101 PolarHBondContact O-N 3.01Å; T99-A101 PolarHBondContact O-N 3.37Å; A101-R104 PolarHBondContact O-N 3.47Å; A101-R105 WeakPolarHBondContact O-CG 3.42Å; A101-R105 PolarHBondContact O-N 3.02Å
102E96.1Very high93.2Very high124 Ų124106.7 Ų106.758%0.57951%0.508SS*.Hα-helixtrans-62.9-45.1174-70.3-172.8167.900112.3E98 T99 R104 R105 R106E98-E102 PolarHBondContact O-N 2.92Å; T99-E102 PolarHBondContact O-N 3.5Å; E102-R104 VanDerWaalsContact C-N 3.29Å; E102-R104 PolarHBondContact O-N 3.43Å; E102-R105 PolarHBondContact O-N 2.95Å; E102-R106 PolarHBondContact O-N 3.32Å
103F94.6Very high91.6Very high108 Ų108103.5 Ų103.547%0.47450%0.501SS..Hα-helixtrans-61-38.3175.4-76.6-53.6000112.5T99 L100 R106 R107T99-F103 HydrophobicContact CG2-CD2 3.8Å; T99-F103 HydrophobicContact CG2-CE2 3.37Å; T99-F103 HydrophobicContact CG2-CZ 4.27Å; T99-F103 WeakPolarHBondContact O-CD2 3.4Å; T99-F103 PolarHBondContact O-N 3.05Å; L100-F103 PolarHBondContact O-N 3Å; F103-R106 VanDerWaalsContact CE1-NH2 3.32Å; F103-R106 PolarHBondContact O-N 2.99Å; F103-R107 WeakPolarHBondContact O-CB 3.47Å; F103-R107 PolarHBondContact O-N 2.92Å
104R94.3Very high89.8Confident135 Ų135104 Ų10451%0.50951%0.508SS..Hα-helixtrans-62.7-48.2174.9-76.1174.8-176.4159.7-1.4111.6L100 A101 E102 R106 R107 E108L100-R104 VanDerWaalsContact CD2-NH2 3.32Å; L100-R104 WeakPolarHBondContact O-CG 3.45Å; L100-R104 PolarHBondContact O-N 3.44Å; A101-R104 PolarHBondContact O-N 3.47Å; E102-R104 VanDerWaalsContact C-N 3.29Å; E102-R104 PolarHBondContact O-N 3.43Å; R104-R106 PolarHBondContact O-N 3.13Å; R104-R107 PolarHBondContact O-N 2.94Å; R104-E108 WeakPolarHBondContact O-CG 3.5Å; R104-E108 PolarHBondContact O-N 3.27Å
105R94.6Very high87.8Confident163 Ų163104.7 Ų104.762%0.61551%0.512SS*.Hα-helixtrans-58.2-46.1176-70.6-176.7-154.3149.16.3111.8A101 E102 R107 E108 S109A101-R105 WeakPolarHBondContact O-CG 3.42Å; A101-R105 PolarHBondContact O-N 3.02Å; E102-R105 PolarHBondContact O-N 2.95Å; R105-R107 VanDerWaalsContact C-N 3.3Å; R105-R107 PolarHBondContact O-N 3.23Å; R105-E108 WeakPolarHBondContact O-CB 3.42Å; R105-E108 PolarHBondContact O-N 3.38Å; R105-S109 PolarHBondContact O-N 3.36Å; R105-S109 PolarHBondContact O-OG 2.95Å; R105-S109 VanDerWaalsContact O-OG 3.13Å
106R93.6Very high85.9Confident169 Ų169103.7 Ų103.764%0.63851%0.512SS*.Hα-helixtrans-63.5-37.6-179.8-168.8173.968.1174.94.6112.1E102 F103 R104 A110E102-R106 PolarHBondContact O-N 3.32Å; F103-R106 VanDerWaalsContact CE1-NH2 3.32Å; F103-R106 PolarHBondContact O-N 2.99Å; R104-R106 PolarHBondContact O-N 3.13Å; R106-A110 WeakPolarHBondContact O-CB 3.36Å; R106-A110 PolarHBondContact O-N 3.21Å
107R92.8Very high83.9Confident162 Ų162104.3 Ų104.361%0.61152%0.516SS*.Hα-helixtrans-65.4-44.6174.2-174.7-178.762.6149.93111.2F103 R104 R105 S109 A110 T111F103-R107 WeakPolarHBondContact O-CB 3.47Å; F103-R107 PolarHBondContact O-N 2.92Å; R104-R107 PolarHBondContact O-N 2.94Å; R105-R107 VanDerWaalsContact C-N 3.3Å; R105-R107 PolarHBondContact O-N 3.23Å; R107-S109 VanDerWaalsContact C-N 3.35Å; R107-S109 PolarHBondContact O-N 3.41Å; R107-A110 PolarHBondContact O-N 2.97Å; R107-T111 PolarHBondContact O-N 3.48Å; R107-T111 PolarHBondContact O-OG1 3.11Å
108E90.8Very high81.7Confident113 Ų113106.8 Ų106.853%0.52853%0.525SS..Hα-helixtrans-58.3-47.1175.6-72.6161.7-165.300111.2R104 R105 A110 T111 V112R104-E108 WeakPolarHBondContact O-CG 3.5Å; R104-E108 PolarHBondContact O-N 3.27Å; R105-E108 WeakPolarHBondContact O-CB 3.42Å; R105-E108 PolarHBondContact O-N 3.38Å; E108-A110 VanDerWaalsContact C-N 3.35Å; E108-A110 PolarHBondContact O-N 3.38Å; E108-T111 PolarHBondContact O-N 3.18Å; E108-V112 WeakPolarHBondContact O-CG2 3.35Å; E108-V112 PolarHBondContact O-N 3.11Å; E108-V112 VanDerWaalsContact O-N 3.11Å
109S90.1Very high79.6Confident75 Ų75108 Ų10852%0.52454%0.535SS..Hα-helixtrans-61.5-39.4175.1-53.30000112.9R105 R107 V112 V113R105-S109 PolarHBondContact O-N 3.36Å; R105-S109 PolarHBondContact O-OG 2.95Å; R105-S109 VanDerWaalsContact O-OG 3.13Å; R107-S109 VanDerWaalsContact C-N 3.35Å; R107-S109 PolarHBondContact O-N 3.41Å; S109-V112 PolarHBondContact O-N 3.33Å; S109-V113 WeakPolarHBondContact O-CG2 3.35Å; S109-V113 PolarHBondContact O-N 3.45Å
110A84.7Confident77.5Confident52 Ų52116.8 Ų116.843%0.4357%0.565SS.*Hα-helixtrans-70.9-35.4178.800000113.3R106 R107 E108 V113 S114R106-A110 WeakPolarHBondContact O-CB 3.36Å; R106-A110 PolarHBondContact O-N 3.21Å; R107-A110 PolarHBondContact O-N 2.97Å; E108-A110 VanDerWaalsContact C-N 3.35Å; E108-A110 PolarHBondContact O-N 3.38Å; A110-V113 PolarHBondContact O-N 3.48Å; A110-S114 PolarHBondContact O-N 3.1Å; A110-S114 VanDerWaalsContact O-N 3.11Å; A110-S114 PolarHBondContact O-OG 2.89Å
111T78.9Confident75.3Confident81 Ų81116.8 Ų116.850%0.49758%0.575SS.*Hα-helixtrans-64.6-43174.3-55.10000110.6R107 E108 V113 S114 D115R107-T111 PolarHBondContact O-N 3.48Å; R107-T111 PolarHBondContact O-OG1 3.11Å; E108-T111 PolarHBondContact O-N 3.18Å; T111-V113 PolarHBondContact O-N 3.19Å; T111-S114 PolarHBondContact O-N 2.88Å; T111-S114 VanDerWaalsContact O-N 3.16Å; T111-D115 PolarHBondContact O-N 3.16Å; T111-D115 VanDerWaalsContact O-N 3.1Å
112V73.5Confident73.2Confident85 Ų85120.4 Ų120.452%0.51560%0.596SS.*Hα-helixtrans-60.4-44.4177174.60000111.4E108 S109 S114 D115 E116E108-V112 WeakPolarHBondContact O-CG2 3.35Å; E108-V112 PolarHBondContact O-N 3.11Å; E108-V112 VanDerWaalsContact O-N 3.11Å; S109-V112 PolarHBondContact O-N 3.33Å; V112-S114 VanDerWaalsContact C-N 3.26Å; V112-S114 PolarHBondContact O-N 3.39Å; V112-D115 PolarHBondContact O-N 3.12Å; V112-E116 PolarHBondContact O-N 3.08Å
113V62.5Low71.1Confident82 Ų82123.8 Ų123.850%0.49761%0.609SS.*Hα-helixtrans-63.7-32.8177.5173.90000112.2S109 A110 T111 T117S109-V113 WeakPolarHBondContact O-CG2 3.35Å; S109-V113 PolarHBondContact O-N 3.45Å; A110-V113 PolarHBondContact O-N 3.48Å; T111-V113 PolarHBondContact O-N 3.19Å; V113-T117 PolarHBondContact O-N 2.74Å; V113-T117 VanDerWaalsContact O-N 3.12Å; V113-T117 PolarHBondContact O-OG1 3.48Å
114S59.9Low69.1Low76 Ų76125.6 Ų125.653%0.53162%0.622SS.*Hα-helixtrans-72.4-32.5177.9-56.30000112.5A110 T111 V112 T117A110-S114 PolarHBondContact O-N 3.1Å; A110-S114 VanDerWaalsContact O-N 3.11Å; A110-S114 PolarHBondContact O-OG 2.89Å; T111-S114 PolarHBondContact O-N 2.88Å; T111-S114 VanDerWaalsContact O-N 3.16Å; V112-S114 VanDerWaalsContact C-N 3.26Å; V112-S114 PolarHBondContact O-N 3.39Å; S114-T117 PolarHBondContact O-OG1 3.48Å
115D57.5Low66.8Low110 Ų110127 Ų12759%0.58863%0.634SS**Hα-helixtrans-75-40.3173.4-100.2-12.2000111.8T111 V112 T117 R118 D119T111-D115 PolarHBondContact O-N 3.16Å; T111-D115 VanDerWaalsContact O-N 3.1Å; V112-D115 PolarHBondContact O-N 3.12Å; D115-T117 VanDerWaalsContact C-N 3.32Å; D115-T117 PolarHBondContact O-N 3.25Å; D115-R118 PolarHBondContact O-N 3.01Å; D115-R118 VanDerWaalsContact O-N 3.08Å; D115-D119 PolarHBondContact O-N 3.16Å; D115-D119 VanDerWaalsContact O-N 3.16Å
116E56.8Low64.6Low131 Ų131125 Ų12561%0.61265%0.646SS**Hα-helixtrans-63.7-35.7177-77.1-178141.200112.8V112 R118V112-E116 PolarHBondContact O-N 3.08Å; E116-R118 VanDerWaalsContact C-N 3.26Å; E116-R118 PolarHBondContact O-N 3.22Å
117T56.1Low62.7Low104 Ų104121 Ų12164%0.63864%0.644SS**Hα-helixtrans-71.9-21.2175.7360000113V113 S114 D115V113-T117 PolarHBondContact O-N 2.74Å; V113-T117 VanDerWaalsContact O-N 3.12Å; V113-T117 PolarHBondContact O-OG1 3.48Å; S114-T117 PolarHBondContact O-OG1 3.48Å; D115-T117 VanDerWaalsContact C-N 3.32Å; D115-T117 PolarHBondContact O-N 3.25Å
118R51.5Low60.6Low207 Ų207122.7 Ų122.778%0.78166%0.658SS**Hα-helixtrans-84.4-32.8178.8-147.7175.7-178.9-172.3-0.7112.6D115 E116 R120D115-R118 PolarHBondContact O-N 3.01Å; D115-R118 VanDerWaalsContact O-N 3.08Å; E116-R118 VanDerWaalsContact C-N 3.26Å; E116-R118 PolarHBondContact O-N 3.22Å; R118-R120 VanDerWaalsContact C-N 3.28Å; R118-R120 PolarHBondContact O-N 3.39Å
119D53.2Low58.5Low150 Ų150125.5 Ų125.580%0.80268%0.676SS**Hα-helixtrans-73.8-20.5177-165.341.3000112.9D115 A121D115-D119 PolarHBondContact O-N 3.16Å; D115-D119 VanDerWaalsContact O-N 3.16Å; D119-A121 VanDerWaalsContact C-N 3.31Å; D119-A121 PolarHBondContact O-N 3.44Å
120R52Low56.6Low219 Ų219131.1 Ų131.183%0.82672%0.715SS**THydrogen-bonded Turntrans-84.14.9180-121.9-178.4-166.9-1714.9115.4R118 P122R118-R120 VanDerWaalsContact C-N 3.28Å; R118-R120 PolarHBondContact O-N 3.39Å; R120-P122 VanDerWaalsContact O-CD 3.25Å; R120-P122 WeakPolarHBondContact O-CD 3.25Å; R120-P122 VanDerWaalsContact O-N 3.12Å
121A50.8Low55.2Low74 Ų74135.1 Ų135.161%0.61273%0.73SS**  trans-63.6113.4177.200000109.7D119 K123D119-A121 VanDerWaalsContact C-N 3.31Å; D119-A121 PolarHBondContact O-N 3.44Å; A121-K123 PolarHBondContact O-N 3.34Å
122P53.1Low53.9Low109 Ų109137.9 Ų137.971%0.70874%0.742SS**  trans-67.2129-171.425.5-31.5000109.8R120 I124R120-P122 VanDerWaalsContact O-CD 3.25Å; R120-P122 WeakPolarHBondContact O-CD 3.25Å; R120-P122 VanDerWaalsContact O-N 3.12Å; P122-I124 VanDerWaalsContact C-N 3.33Å; P122-I124 PolarHBondContact O-N 2.89Å
123K52Low52.8Low195 Ų195140.9 Ų140.985%0.84875%0.754SS**  trans-57.5103.3161.8-74.7178178.3176.70106.5A121 E125A121-K123 PolarHBondContact O-N 3.34Å; K123-E125 PolarHBondContact O-N 2.85Å
124I51.9Low52.3Low146 Ų146144.4 Ų144.475%0.74977%0.77SS**  trans-6790.9168.3-57.3174.9000104.5P122 S126P122-I124 VanDerWaalsContact C-N 3.33Å; P122-I124 PolarHBondContact O-N 2.89Å; I124-S126 VanDerWaalsContact C-N 3.33Å; I124-S126 PolarHBondContact O-N 3.48Å; I124-S126 PolarHBondContact O-OG 3.02Å
125E47.4Very low51.8Low163 Ų163148.6 Ų148.676%0.76278%0.784SS**  trans-66.3101.6166.9-84.2-179.6158.100106.7K123 S127K123-E125 PolarHBondContact O-N 2.85Å; E125-S127 PolarHBondContact O-N 2.83Å
126S47.9Very low51.4Low123 Ų123151.2 Ų151.286%0.8680%0.798SS**  trans-63.972.4169.9-380000109.5I124I124-S126 VanDerWaalsContact C-N 3.33Å; I124-S126 PolarHBondContact O-N 3.48Å; I124-S126 PolarHBondContact O-OG 3.02Å
127S53.3Low51Low85 Ų85152.6 Ų152.659%0.59481%0.811SS**  trans-138.587.6169.357.30000107.5E125E125-S127 PolarHBondContact O-N 2.83Å
128E48.2Very low50.7Low196 Ų196156.4 Ų156.492%0.91682%0.824SS**  trans167.574.2149.4-91.3170.3-15600108.2
129L47.3Very low50.6Low173 Ų173152.2 Ų152.291%0.90683%0.828SS**  trans-119.998.8160.1-96.3156.8000107.2
130S50Low50.3Low193 Ų193152.4 Ų152.4100%1.3583%0.83SS**  trans70.90161.6-69.20000119.5

Retrieved 130 of 130 residues in 188.3 ms (Link to these results)