A0A087XS33_POEFO Loading...

Sphingomyelin synthase-related protein 1

Synthesizes sphingolipids through transfer of a phosphatidyl head group from a glycerophospholipid on to the primary hydroxyl of a ceramide in the lumen of the endoplasmic reticulum. Catalyzes the synthesis of ceramide phosphoethanolamines (CPEs) (such as N-acylsphing-4-enine 1-phosphoethanolamine) by transferring phosphoethanolamine head group, which is smaller and more hydrophilic than the phosphocholine (PC) headgroup transferred in the canonical sphingomyelin synthesis (SMS) reaction by SMS1 or SMS2, from a phosphatidylethanolamine (1,2-diacyl-sn-glycero-3-phosphoethanolamine, PE) to a ceramide (such as N-acylsphing-4-enine). The larger PC prevents an efficient fit in the enzyme's catalytic pocket, leading to little or no SMS activity. In vitro, in the absence of ceramide, it has PLC activity with preference for phosphatidylinositol and phosphatidic acid, but also hydrolyzes phosphatidylethanolamine.

AlphaFold DB (A0A3B3VUU4), UniProt , Accession A0A087XS33, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 408 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
1M38.1Very low73.5Confident241 Ų241101 Ų101100%1.18752%0.515SS*.  01170-78.7174.5178.200107.1Q3M1-Q3 PolarHBondContact O-N 3.3Å; M1-Q3 VanDerWaalsContact O-N 3.15Å
2T42Very low74.9Confident142 Ų142106.9 Ų106.987%0.87154%0.535SS*.  trans-58.3113.5175.531.30000108.7L4T2-L4 PolarHBondContact O-N 3.34Å
3Q57.8Low76.1Confident192 Ų192102.6 Ų102.690%0.89751%0.512SS*.  trans-60.8112.4172.2-89.2178.5-20.900107.4M1 S5M1-Q3 PolarHBondContact O-N 3.3Å; M1-Q3 VanDerWaalsContact O-N 3.15Å; Q3-S5 PolarHBondContact O-N 3.29Å
4L67.6Low77.2Confident101 Ų10195.3 Ų95.353%0.52948%0.475SS..  trans-59.2126.7169.2-89.6131000108.1T2 V6 H8 W9T2-L4 PolarHBondContact O-N 3.34Å; L4-V6 PolarHBondContact O-N 3.22Å; L4-H8 HydrophobicContact CD2-CB 4.23Å; L4-W9 PolarHBondContact O-NE1 3.4Å
5S79.7Confident78.1Confident53 Ų5389.9 Ų89.937%0.37145%0.451SS..  trans-51.2138.1172.9166.30000110Q3 R7 H8Q3-S5 PolarHBondContact O-N 3.29Å; S5-R7 PolarHBondContact O-N 2.69Å; S5-H8 PolarHBondContact O-N 3.32Å
6V82.6Confident78.9Confident7 Ų793.8 Ų93.84%0.04246%0.459CS..G310 helixtrans-54.7-29.5-177.1-178.70000111.8L4 H8 W9 G38 L42 L72 N76L4-V6 PolarHBondContact O-N 3.22Å; V6-H8 PolarHBondContact O-N 3.19Å; V6-H8 VanDerWaalsContact O-N 3.14Å; V6-W9 HydrophobicContact CB-CD2 4.39Å; V6-W9 HydrophobicContact CG1-CD2 4.12Å; V6-W9 HydrophobicContact CG1-CE3 4.11Å; V6-W9 HydrophobicContact CG1-CZ3 4.45Å; V6-W9 HydrophobicContact CG2-CD2 4.4Å; V6-W9 HydrophobicContact CG2-CH2 4.16Å; V6-W9 HydrophobicContact CG2-CZ2 3.79Å; V6-W9 WeakPolarHBondContact O-CB 3.33Å; V6-W9 PolarHBondContact O-N 3.29Å; V6-G38 WeakPolarHBondContact O-CA 3.5Å; V6-L42 HydrophobicContact CB-CD1 4.2Å; V6-L42 HydrophobicContact CG1-CD1 3.67Å; V6-L42 HydrophobicContact CG1-CD2 4.32Å; V6-L42 HydrophobicContact CG1-CG 3.87Å; V6-L72 HydrophobicContact CG1-CD2 4.29Å; V6-L72 HydrophobicContact CG2-CD1 4.07Å; V6-N76 VanDerWaalsContact CG2-OD1 3.3Å; V6-N76 WeakPolarHBondContact CG2-OD1 3.41Å
7R81.9Confident79.8Confident111 Ų11189.5 Ų89.542%0.41944%0.437SS..G310 helixtrans-55.4-30.2174.5-170.8178-176.7167.86.8113.9S5 T39 V79 E82S5-R7 PolarHBondContact O-N 2.69Å; R7-T39 HydrophobicContact CG-CG2 4.29Å; R7-V79 HydrophobicContact CB-CG1 4.16Å; R7-E82 IonicContact CZ-OE1 3.42Å; R7-E82 VanDerWaalsContact CZ-OE1 3.27Å; R7-E82 IonicContact CZ-OE2 3.78Å; R7-E82 IonicContact NH1-OE1 3.27Å; R7-E82 PolarHBondContact NH1-OE1 3.41Å; R7-E82 IonicContact NH1-OE2 3.77Å; R7-E82 PolarHBondContact NH1-OE2 3.24Å; R7-E82 IonicContact NH2-OE1 3.15Å; R7-E82 PolarHBondContact NH2-OE1 3.22Å
8H85.2Confident80.4Confident121 Ų12184.5 Ų84.556%0.5641%0.412SS*.G310 helixtrans-99.99.5-177.2-59.493.5000112.8L4 S5 V6 T10L4-H8 HydrophobicContact CD2-CB 4.23Å; S5-H8 PolarHBondContact O-N 3.32Å; V6-H8 PolarHBondContact O-N 3.19Å; V6-H8 VanDerWaalsContact O-N 3.14Å; H8-T10 PolarHBondContact O-N 3.47Å
9W91.6Very high81Confident42 Ų4286.6 Ų86.616%0.15942%0.419CS..  trans-73.2115.1179.9-73.615.1000110.8L4 V6 H13 V14 W17 D37 G38 L41 L72L4-W9 PolarHBondContact O-NE1 3.4Å; V6-W9 HydrophobicContact CB-CD2 4.39Å; V6-W9 HydrophobicContact CG1-CD2 4.12Å; V6-W9 HydrophobicContact CG1-CE3 4.11Å; V6-W9 HydrophobicContact CG1-CZ3 4.45Å; V6-W9 HydrophobicContact CG2-CD2 4.4Å; V6-W9 HydrophobicContact CG2-CH2 4.16Å; V6-W9 HydrophobicContact CG2-CZ2 3.79Å; V6-W9 WeakPolarHBondContact O-CB 3.33Å; V6-W9 PolarHBondContact O-N 3.29Å; W9-H13 HydrophobicContact CB-CB 3.83Å; W9-H13 HydrophobicContact CD2-CB 4.28Å; W9-H13 HydrophobicContact CG-CB 3.86Å; W9-V14 HydrophobicContact CB-CG2 4.33Å; W9-V14 HydrophobicContact CE3-CG2 4.26Å; W9-W17 HydrophobicContact CH2-CB 4.06Å; W9-W17 AromaticContact CH2-CD1 3.63Å; W9-W17 AromaticContact CH2-CG 3.84Å; W9-W17 HydrophobicContact CH2-CG 3.84Å; W9-W17 HydrophobicContact CZ3-CB 3.69Å; W9-W17 AromaticContact CZ3-CD1 3.88Å; W9-W17 HydrophobicContact CZ3-CD2 4.21Å; W9-W17 AromaticContact CZ3-CG 3.61Å; W9-W17 HydrophobicContact CZ3-CG 3.61Å; W9-D37 WeakPolarHBondContact O-CB 3.4Å; W9-G38 PolarHBondContact O-N 3.38Å; W9-L41 HydrophobicContact CZ3-CD2 4.36Å; W9-L72 HydrophobicContact CH2-CD1 4.17Å; W9-L72 HydrophobicContact CH2-CD2 4.48Å; W9-L72 HydrophobicContact CZ3-CD2 4.12Å
10T90.8Very high81.5Confident64 Ų6489.5 Ų89.539%0.39343%0.432SS..  trans-73.1167.2166.869.30000111H8 K12 H13 V14H8-T10 PolarHBondContact O-N 3.47Å; T10-K12 PolarHBondContact O-N 3.17Å; T10-H13 PolarHBondContact N-ND1 2.65Å; T10-H13 WeakPolarHBondContact O-CA 3.47Å; T10-H13 WeakPolarHBondContact O-CB 3.31Å; T10-H13 PolarHBondContact O-N 3.04Å; T10-H13 PolarHBondContact OG1-ND1 2.96Å; T10-V14 PolarHBondContact O-N 3.15Å; T10-V14 VanDerWaalsContact O-N 3.13Å
11P91.1Very high82Confident37 Ų3788.5 Ų88.524%0.2443%0.427CS..Hα-helixtrans-54.9-26.2176.3-28.736.1000114.2A15 C31 L36P11-A15 VanDerWaalsContact O-CB 3.28Å; P11-A15 WeakPolarHBondContact O-CB 3.46Å; P11-A15 PolarHBondContact O-N 3.13Å; P11-C31 HydrophobicContact CB-CB 4.41Å; P11-L36 WeakPolarHBondContact CA-O 3.35Å
12K90.3Very high84.4Confident172 Ų17279.9 Ų79.975%0.74840%0.4SS*.Hα-helixtrans-69.5-33174.2-64.3-175.2179.6-179.80112.9T10 R16T10-K12 PolarHBondContact O-N 3.17Å; K12-R16 PolarHBondContact O-N 3.33Å
13H91.3Very high86.8Confident51 Ų5173.9 Ų73.924%0.23636%0.361CS..Hα-helixtrans-75.3-42175.9-63.694.7000110.7W9 T10 A15 R16 W17W9-H13 HydrophobicContact CB-CB 3.83Å; W9-H13 HydrophobicContact CD2-CB 4.28Å; W9-H13 HydrophobicContact CG-CB 3.86Å; T10-H13 PolarHBondContact N-ND1 2.65Å; T10-H13 WeakPolarHBondContact O-CA 3.47Å; T10-H13 WeakPolarHBondContact O-CB 3.31Å; T10-H13 PolarHBondContact O-N 3.04Å; T10-H13 PolarHBondContact OG1-ND1 2.96Å; H13-A15 VanDerWaalsContact C-N 3.31Å; H13-A15 PolarHBondContact O-N 3.26Å; H13-R16 WeakPolarHBondContact O-CB 3.26Å; H13-R16 PolarHBondContact O-N 3.44Å; H13-R16 VanDerWaalsContact O-N 3.15Å; H13-W17 PolarHBondContact O-N 3.31Å
14V90.6Very high88.3Confident0 Ų068 Ų680%034%0.341CS..Hα-helixtrans-59.8-42.3172.3178.50000110.9W9 T10 R16 W17 L18 L36 L41W9-V14 HydrophobicContact CB-CG2 4.33Å; W9-V14 HydrophobicContact CE3-CG2 4.26Å; T10-V14 PolarHBondContact O-N 3.15Å; T10-V14 VanDerWaalsContact O-N 3.13Å; V14-R16 VanDerWaalsContact C-N 3.3Å; V14-R16 PolarHBondContact O-N 3.37Å; V14-W17 PolarHBondContact O-N 3.03Å; V14-L18 HydrophobicContact CG1-CD1 4.14Å; V14-L18 HydrophobicContact CG1-CG 4.37Å; V14-L18 WeakPolarHBondContact O-CB 3.49Å; V14-L18 WeakPolarHBondContact O-CG 3.43Å; V14-L18 PolarHBondContact O-N 3.17Å; V14-L36 WeakPolarHBondContact CG2-O 3.46Å; V14-L41 HydrophobicContact CG1-CD1 4.38Å; V14-L41 HydrophobicContact CG1-CD2 4.12Å; V14-L41 HydrophobicContact CG2-CD2 4.4Å
15A90.6Very high89.3Confident14 Ų1470.3 Ų70.312%0.11635%0.354CS..Hα-helixtrans-61-37.2175.600000112.9P11 H13 K19 V27 C31P11-A15 VanDerWaalsContact O-CB 3.28Å; P11-A15 WeakPolarHBondContact O-CB 3.46Å; P11-A15 PolarHBondContact O-N 3.13Å; H13-A15 VanDerWaalsContact C-N 3.31Å; H13-A15 PolarHBondContact O-N 3.26Å; A15-K19 WeakPolarHBondContact O-CG 3.46Å; A15-K19 PolarHBondContact O-N 3.28Å; A15-V27 HydrophobicContact CB-CG1 3.62Å; A15-C31 HydrophobicContact CB-CB 4.09Å; A15-C31 PolarHBondContact N-SG 3.32Å
16R91.6Very high89.8Confident152 Ų15269.5 Ų69.557%0.57434%0.343SS*.Hα-helixtrans-68.1-46.2175.5-172.9-177.2-63148.41.3110.9K12 H13 V14 L18 K19 E20K12-R16 PolarHBondContact O-N 3.33Å; H13-R16 WeakPolarHBondContact O-CB 3.26Å; H13-R16 PolarHBondContact O-N 3.44Å; H13-R16 VanDerWaalsContact O-N 3.15Å; V14-R16 VanDerWaalsContact C-N 3.3Å; V14-R16 PolarHBondContact O-N 3.37Å; R16-L18 PolarHBondContact O-N 3.44Å; R16-K19 PolarHBondContact O-N 3.22Å; R16-E20 WeakPolarHBondContact O-CG 3.42Å; R16-E20 PolarHBondContact O-N 3.34Å
17W93.6Very high90.2Very high21 Ų2169.7 Ų69.78%0.0834%0.344CS..Hα-helixtrans-60.6-43.6177.117880.1000112.4W9 H13 V14 K19 E20 E21 L41 L65 I69 L72W9-W17 HydrophobicContact CH2-CB 4.06Å; W9-W17 AromaticContact CH2-CD1 3.63Å; W9-W17 AromaticContact CH2-CG 3.84Å; W9-W17 HydrophobicContact CH2-CG 3.84Å; W9-W17 HydrophobicContact CZ3-CB 3.69Å; W9-W17 AromaticContact CZ3-CD1 3.88Å; W9-W17 HydrophobicContact CZ3-CD2 4.21Å; W9-W17 AromaticContact CZ3-CG 3.61Å; W9-W17 HydrophobicContact CZ3-CG 3.61Å; H13-W17 PolarHBondContact O-N 3.31Å; V14-W17 PolarHBondContact O-N 3.03Å; W17-K19 VanDerWaalsContact C-N 3.29Å; W17-K19 PolarHBondContact O-N 2.79Å; W17-E20 PolarHBondContact O-N 3.18Å; W17-E20 VanDerWaalsContact O-N 3.17Å; W17-E21 HydrophobicContact CD2-CG 4.16Å; W17-E21 HydrophobicContact CH2-CG 4.34Å; W17-E21 HydrophobicContact CZ2-CG 3.78Å; W17-E21 PolarHBondContact O-N 2.97Å; W17-L41 HydrophobicContact CD2-CD2 4.38Å; W17-L41 HydrophobicContact CE3-CD2 3.83Å; W17-L41 HydrophobicContact CH2-CD2 4.47Å; W17-L41 HydrophobicContact CZ3-CD1 4.1Å; W17-L41 HydrophobicContact CZ3-CD2 3.89Å; W17-L65 HydrophobicContact CZ3-CD1 4.41Å; W17-I69 HydrophobicContact CH2-CG1 4.08Å; W17-L72 HydrophobicContact CZ2-CB 4.33Å; W17-L72 HydrophobicContact CZ2-CD2 4.11Å
18L91.7Very high90.5Very high0 Ų069.6 Ų69.60%035%0.352CS..Hα-helixtrans-59.5-38.6175.4-77.1171.8000112.2V14 R16 G22 F23 V27 L30 L65V14-L18 HydrophobicContact CG1-CD1 4.14Å; V14-L18 HydrophobicContact CG1-CG 4.37Å; V14-L18 WeakPolarHBondContact O-CB 3.49Å; V14-L18 WeakPolarHBondContact O-CG 3.43Å; V14-L18 PolarHBondContact O-N 3.17Å; R16-L18 PolarHBondContact O-N 3.44Å; L18-G22 PolarHBondContact O-N 3.33Å; L18-F23 HydrophobicContact CB-CB 4.42Å; L18-F23 HydrophobicContact CD2-CB 4.03Å; L18-F23 HydrophobicContact CD2-CD2 4.5Å; L18-F23 WeakPolarHBondContact O-CA 3.35Å; L18-F23 PolarHBondContact O-N 3.02Å; L18-V27 HydrophobicContact CB-CG2 3.99Å; L18-V27 HydrophobicContact CD1-CG2 4.43Å; L18-L30 HydrophobicContact CD1-CB 4.04Å; L18-L30 HydrophobicContact CD1-CD1 3.85Å; L18-L30 HydrophobicContact CD2-CD1 4.14Å; L18-L65 HydrophobicContact CD2-CD1 3.72Å
19K91.7Very high90.7Very high125 Ų12565.9 Ų65.954%0.54334%0.336SS..Hα-helixtrans-67.8-39.9175.8-70.7178.1-178-172.10112.2A15 R16 W17 E21 G22 V27A15-K19 WeakPolarHBondContact O-CG 3.46Å; A15-K19 PolarHBondContact O-N 3.28Å; R16-K19 PolarHBondContact O-N 3.22Å; W17-K19 VanDerWaalsContact C-N 3.29Å; W17-K19 PolarHBondContact O-N 2.79Å; K19-E21 VanDerWaalsContact C-N 3.34Å; K19-G22 PolarHBondContact O-N 3.25Å; K19-V27 HydrophobicContact CG-CG2 3.97Å
20E91.4Very high90.6Very high143 Ų14364.1 Ų64.167%0.66833%0.329SS*.Hα-helixtrans-65.8-36177.1-71.6170.9-171.900112.1R16 W17 G22R16-E20 WeakPolarHBondContact O-CG 3.42Å; R16-E20 PolarHBondContact O-N 3.34Å; W17-E20 PolarHBondContact O-N 3.18Å; W17-E20 VanDerWaalsContact O-N 3.17Å; E20-G22 VanDerWaalsContact C-N 3.28Å; E20-G22 PolarHBondContact O-N 3.48Å
21E90Very high90.6Very high70 Ų7061.2 Ų61.233%0.32731%0.312SS..THydrogen-bonded Turntrans-82.4-0.7176.1-68.6-73.9140.400113.7W17 K19 F23 S68W17-E21 HydrophobicContact CD2-CG 4.16Å; W17-E21 HydrophobicContact CH2-CG 4.34Å; W17-E21 HydrophobicContact CZ2-CG 3.78Å; W17-E21 PolarHBondContact O-N 2.97Å; K19-E21 VanDerWaalsContact C-N 3.34Å; E21-F23 HydrophobicContact CB-CD2 3.82Å; E21-F23 HydrophobicContact CB-CE2 3.99Å; E21-F23 WeakPolarHBondContact O-CE2 3.24Å; E21-S68 VanDerWaalsContact OE2-CB 3.26Å; E21-S68 WeakPolarHBondContact OE2-CB 3.38Å; E21-S68 PolarHBondContact OE2-OG 3.02Å
22G89.8Confident90.3Very high60 Ų6064.8 Ų64.862%0.61933%0.329SS*.THydrogen-bonded Turntrans88.417.7174.300000116L18 K19 E20L18-G22 PolarHBondContact O-N 3.33Å; K19-G22 PolarHBondContact O-N 3.25Å; E20-G22 VanDerWaalsContact C-N 3.28Å; E20-G22 PolarHBondContact O-N 3.48Å
23F91.3Very high90.2Very high15 Ų1563.6 Ų63.67%0.06632%0.324CS..  trans-105.446-179.5-61.2-75.3000112.9L18 E21 D25 Y26 R64 L65L18-F23 HydrophobicContact CB-CB 4.42Å; L18-F23 HydrophobicContact CD2-CB 4.03Å; L18-F23 HydrophobicContact CD2-CD2 4.5Å; L18-F23 WeakPolarHBondContact O-CA 3.35Å; L18-F23 PolarHBondContact O-N 3.02Å; E21-F23 HydrophobicContact CB-CD2 3.82Å; E21-F23 HydrophobicContact CB-CE2 3.99Å; E21-F23 WeakPolarHBondContact O-CE2 3.24Å; F23-D25 VanDerWaalsContact C-N 3.3Å; F23-D25 PolarHBondContact O-N 3.48Å; F23-Y26 HydrophobicContact CB-CD2 4.15Å; F23-Y26 HydrophobicContact CD1-CD2 4.01Å; F23-Y26 HydrophobicContact CD1-CE2 4.28Å; F23-Y26 PolarHBondContact O-N 3.38Å; F23-R64 HydrophobicContact CE1-CB 4.02Å; F23-R64 HydrophobicContact CZ-CB 3.7Å; F23-L65 HydrophobicContact CD1-CB 4.34Å; F23-L65 HydrophobicContact CD1-CD1 4.5Å; F23-L65 HydrophobicContact CD2-CD1 3.86Å; F23-L65 HydrophobicContact CE1-CB 3.86Å; F23-L65 HydrophobicContact CE2-CB 4.32Å; F23-L65 HydrophobicContact CE2-CD1 3.99Å; F23-L65 HydrophobicContact CG-CD1 4.13Å; F23-L65 VanDerWaalsContact CZ-CA 3.46Å; F23-L65 HydrophobicContact CZ-CB 3.86Å; F23-L65 HydrophobicContact CZ-CD1 4.37Å; F23-L65 VanDerWaalsContact CZ-N 3.27Å
24C89.6Confident90.1Very high70 Ų7063.8 Ų63.847%0.47332%0.324SS..G310 helixtrans-56.8-40-177.5-670000113.4Y26 V27C24-Y26 PolarHBondContact O-N 3.41Å; C24-V27 WeakPolarHBondContact O-CB 3.45Å; C24-V27 WeakPolarHBondContact O-CG2 3.33Å; C24-V27 PolarHBondContact O-N 2.85Å
25D89.4Confident90.1Very high149 Ų14972.8 Ų72.880%0.79736%0.358SS*.G310 helixtrans-67.4-20.3-176-58.5-30.6000113.1F23F23-D25 VanDerWaalsContact C-N 3.3Å; F23-D25 PolarHBondContact O-N 3.48Å
26Y89.9Confident90Very high35 Ų3573 Ų7314%0.13736%0.358CS..G310 helixtrans-96.2-2.9-178.7-60.9-61.1000113.7F23 C24 D28 L29 L30 L56 D61F23-Y26 HydrophobicContact CB-CD2 4.15Å; F23-Y26 HydrophobicContact CD1-CD2 4.01Å; F23-Y26 HydrophobicContact CD1-CE2 4.28Å; F23-Y26 PolarHBondContact O-N 3.38Å; C24-Y26 PolarHBondContact O-N 3.41Å; Y26-D28 PolarHBondContact O-N 2.98Å; Y26-L29 HydrophobicContact CD1-CD2 4.49Å; Y26-L29 PolarHBondContact O-N 2.86Å; Y26-L30 VanDerWaalsContact O-CB 3.26Å; Y26-L30 WeakPolarHBondContact O-CB 3.49Å; Y26-L30 WeakPolarHBondContact O-CG 3.48Å; Y26-L30 PolarHBondContact O-N 3.25Å; Y26-L56 HydrophobicContact CD1-CD2 3.32Å; Y26-L56 HydrophobicContact CE1-CD2 3.06Å; Y26-L56 HydrophobicContact CG-CD2 4.23Å; Y26-D61 HydrophobicContact CE2-CB 3.74Å; Y26-D61 WeakPolarHBondContact OH-CB 3.19Å; Y26-D61 PolarHBondContact OH-OD2 3.47Å
27V90.6Very high89.9Confident11 Ų1168.4 Ų68.47%0.06735%0.345CS..Hα-helixtrans-63-44.1-179.5173.70000111.5A15 L18 K19 C24 L29 C31 N32A15-V27 HydrophobicContact CB-CG1 3.62Å; L18-V27 HydrophobicContact CB-CG2 3.99Å; L18-V27 HydrophobicContact CD1-CG2 4.43Å; K19-V27 HydrophobicContact CG-CG2 3.97Å; C24-V27 WeakPolarHBondContact O-CB 3.45Å; C24-V27 WeakPolarHBondContact O-CG2 3.33Å; C24-V27 PolarHBondContact O-N 2.85Å; V27-L29 VanDerWaalsContact C-N 3.34Å; V27-L29 PolarHBondContact O-N 3Å; V27-C31 HydrophobicContact CG1-CB 4.48Å; V27-C31 WeakPolarHBondContact O-CA 3.5Å; V27-C31 VanDerWaalsContact O-CB 3.28Å; V27-C31 WeakPolarHBondContact O-CB 3.49Å; V27-C31 PolarHBondContact O-N 3.02Å; V27-N32 PolarHBondContact O-N 3.12Å
28D88.9Confident89.6Confident110 Ų11067.4 Ų67.459%0.58834%0.341SS*.Iπ-helixtrans-65.3-39.9179.5-74.7-35.3000111.7Y26 N32 K33Y26-D28 PolarHBondContact O-N 2.98Å; D28-N32 CarbonylContact O-C 3.51Å; D28-N32 WeakPolarHBondContact O-CA 3.37Å; D28-N32 VanDerWaalsContact O-CB 3.31Å; D28-N32 WeakPolarHBondContact O-CB 3.5Å; D28-N32 PolarHBondContact O-N 2.9Å; D28-N32 PolarHBondContact OD1-ND2 3.17Å; D28-K33 PolarHBondContact O-N 3.41Å
29L89.8Confident89.4Confident43 Ų4369.2 Ų69.223%0.22535%0.352CS..Iπ-helixtrans-68.3-57.5177.7-175.266.9000111.1Y26 V27 K33 H34 L54 L56Y26-L29 HydrophobicContact CD1-CD2 4.49Å; Y26-L29 PolarHBondContact O-N 2.86Å; V27-L29 VanDerWaalsContact C-N 3.34Å; V27-L29 PolarHBondContact O-N 3Å; L29-K33 HydrophobicContact CD1-CD 3.99Å; L29-K33 WeakPolarHBondContact O-CB 3.22Å; L29-H34 PolarHBondContact O-CD2 3.01Å; L29-H34 PolarHBondContact O-N 3.12Å; L29-L54 HydrophobicContact CG-CD2 4.38Å; L29-L56 HydrophobicContact CD2-CD2 4.08Å
30L89.3Confident89.2Confident4 Ų465.6 Ų65.62%0.02134%0.342CS..Iπ-helixtrans-73.2-41.4-171-67.4175000112.6L18 Y26 H34 R35 L36 L54 L65L18-L30 HydrophobicContact CD1-CB 4.04Å; L18-L30 HydrophobicContact CD1-CD1 3.85Å; L18-L30 HydrophobicContact CD2-CD1 4.14Å; Y26-L30 VanDerWaalsContact O-CB 3.26Å; Y26-L30 WeakPolarHBondContact O-CB 3.49Å; Y26-L30 WeakPolarHBondContact O-CG 3.48Å; Y26-L30 PolarHBondContact O-N 3.25Å; L30-H34 CarbonylContact O-C 3.31Å; L30-R35 PolarHBondContact O-N 3.29Å; L30-L36 HydrophobicContact CB-CD1 3.82Å; L30-L36 HydrophobicContact CD2-CD1 3.51Å; L30-L36 HydrophobicContact CG-CD1 4.2Å; L30-L36 WeakPolarHBondContact O-CB 3.43Å; L30-L36 WeakPolarHBondContact O-CG 3.4Å; L30-L36 PolarHBondContact O-N 3.32Å; L30-L54 HydrophobicContact CD2-CD1 3.79Å; L30-L54 HydrophobicContact CD2-CD2 3.64Å; L30-L54 HydrophobicContact CD2-CG 4.36Å; L30-L65 HydrophobicContact CD1-CD2 4.03Å
31C90Very high89.1Confident4 Ų458.9 Ų58.93%0.02731%0.311CS..Iπ-helixtrans-100.7-40.2-173.2-59.20000113.5P11 A15 V27 R35P11-C31 HydrophobicContact CB-CB 4.41Å; A15-C31 HydrophobicContact CB-CB 4.09Å; A15-C31 PolarHBondContact N-SG 3.32Å; V27-C31 HydrophobicContact CG1-CB 4.48Å; V27-C31 WeakPolarHBondContact O-CA 3.5Å; V27-C31 VanDerWaalsContact O-CB 3.28Å; V27-C31 WeakPolarHBondContact O-CB 3.49Å; V27-C31 PolarHBondContact O-N 3.02Å; C31-R35 VanDerWaalsContact O-CA 3.28Å; C31-R35 WeakPolarHBondContact O-CA 3.22Å; C31-R35 PolarHBondContact O-N 3.05Å
32N85.9Confident89Confident111 Ų11155.5 Ų55.559%0.59430%0.295SS*.Iπ-helixtrans-85.6-41.5-177.1-65.6-29.7000112.2V27 D28V27-N32 PolarHBondContact O-N 3.12Å; D28-N32 CarbonylContact O-C 3.51Å; D28-N32 WeakPolarHBondContact O-CA 3.37Å; D28-N32 VanDerWaalsContact O-CB 3.31Å; D28-N32 WeakPolarHBondContact O-CB 3.5Å; D28-N32 PolarHBondContact O-N 2.9Å; D28-N32 PolarHBondContact OD1-ND2 3.17Å
33K87.3Confident88.8Confident147 Ų14755 Ų5564%0.63929%0.285SS*.Iπ-helixtrans-85.6-48.1179.2-167.3-175.2-178.6-170.30112.8D28 L29D28-K33 PolarHBondContact O-N 3.41Å; L29-K33 HydrophobicContact CD1-CD 3.99Å; L29-K33 WeakPolarHBondContact O-CB 3.22Å
34H88.9Confident88.6Confident55 Ų5554.8 Ų54.826%0.25528%0.284SS..SBendtrans-98.8-3-175.6-67.4-67.4000115L29 L30 L36 P53 L54L29-H34 PolarHBondContact O-CD2 3.01Å; L29-H34 PolarHBondContact O-N 3.12Å; L30-H34 CarbonylContact O-C 3.31Å; H34-L36 PolarHBondContact O-N 3.19Å; H34-P53 PolarHBondContact NE2-O 3.25Å; H34-L54 HydrophobicContact CB-CD2 4.17Å; H34-L54 WeakPolarHBondContact CD2-CD2 3.35Å
35R90.3Very high88.3Confident189 Ų18953.4 Ų53.471%0.71328%0.276SS*.  trans51.638.1172.2-58.8-174.365.8-159.1-2.7114.4L30 C31 D37L30-R35 PolarHBondContact O-N 3.29Å; C31-R35 VanDerWaalsContact O-CA 3.28Å; C31-R35 WeakPolarHBondContact O-CA 3.22Å; C31-R35 PolarHBondContact O-N 3.05Å; R35-D37 PolarHBondContact O-N 3.13Å
36L89.4Confident88Confident20 Ų2048.1 Ų48.111%0.10525%0.246CC..  trans-62.4122.1178.1-72.2168.3000111.3P11 V14 L30 H34 L44P11-L36 WeakPolarHBondContact CA-O 3.35Å; V14-L36 WeakPolarHBondContact CG2-O 3.46Å; L30-L36 HydrophobicContact CB-CD1 3.82Å; L30-L36 HydrophobicContact CD2-CD1 3.51Å; L30-L36 HydrophobicContact CG-CD1 4.2Å; L30-L36 WeakPolarHBondContact O-CB 3.43Å; L30-L36 WeakPolarHBondContact O-CG 3.4Å; L30-L36 PolarHBondContact O-N 3.32Å; H34-L36 PolarHBondContact O-N 3.19Å; L36-L44 HydrophobicContact CD1-CD1 3.86Å; L36-L44 HydrophobicContact CD2-CD1 3.79Å
37D90.1Very high87.6Confident55 Ų5552.7 Ų52.729%0.29426%0.264SS..  trans-98.3176.417062.45.4000110.9W9 R35 T39 S40 L41W9-D37 WeakPolarHBondContact O-CB 3.4Å; R35-D37 PolarHBondContact O-N 3.13Å; D37-T39 VanDerWaalsContact C-N 3.33Å; D37-T39 PolarHBondContact O-N 2.92Å; D37-T39 PolarHBondContact OD1-OG1 2.99Å; D37-T39 PolarHBondContact OD2-OG1 2.97Å; D37-S40 PolarHBondContact O-N 3.49Å; D37-S40 WeakPolarHBondContact OD1-CB 3.32Å; D37-S40 PolarHBondContact OD1-N 3.32Å; D37-S40 PolarHBondContact OD1-OG 3.38Å; D37-L41 WeakPolarHBondContact O-CB 3.31Å; D37-L41 PolarHBondContact O-N 2.81Å
38G87.3Confident87.4Confident0 Ų055 Ų550%028%0.276CS..Hα-helixtrans-62.9-36-174.300000114.4V6 W9 L41 L42V6-G38 WeakPolarHBondContact O-CA 3.5Å; W9-G38 PolarHBondContact O-N 3.38Å; G38-L41 PolarHBondContact O-N 3.2Å; G38-L42 VanDerWaalsContact O-CG 3.31Å; G38-L42 WeakPolarHBondContact O-CG 3.3Å; G38-L42 PolarHBondContact O-N 3.1Å
39T86.2Confident87.4Confident37 Ų3749.8 Ų49.823%0.22725%0.248CC..Hα-helixtrans-67.9-43.7175.542.70000111.3R7 D37 L41 L42 A43 L83R7-T39 HydrophobicContact CG-CG2 4.29Å; D37-T39 VanDerWaalsContact C-N 3.33Å; D37-T39 PolarHBondContact O-N 2.92Å; D37-T39 PolarHBondContact OD1-OG1 2.99Å; D37-T39 PolarHBondContact OD2-OG1 2.97Å; T39-L41 VanDerWaalsContact C-N 3.33Å; T39-L41 PolarHBondContact O-N 2.85Å; T39-L42 PolarHBondContact O-N 3.17Å; T39-A43 PolarHBondContact O-N 3.46Å; T39-L83 HydrophobicContact CG2-CD1 4.13Å
40S87.9Confident87.2Confident49 Ų4953.4 Ų53.434%0.34326%0.259SS..Hα-helixtrans-66.1-35.5175.8-550000112.2D37 A43 L44D37-S40 PolarHBondContact O-N 3.49Å; D37-S40 WeakPolarHBondContact OD1-CB 3.32Å; D37-S40 PolarHBondContact OD1-N 3.32Å; D37-S40 PolarHBondContact OD1-OG 3.38Å; S40-A43 PolarHBondContact O-N 2.95Å; S40-L44 PolarHBondContact O-N 3.48Å; S40-L44 VanDerWaalsContact O-N 3.13Å
41L89.6Confident86.8Confident2 Ų254 Ų541%0.0126%0.263CS..Hα-helixtrans-64.1-40.7174.7-176.670.6000111.7W9 V14 W17 D37 G38 T39 L44 I69 L72W9-L41 HydrophobicContact CZ3-CD2 4.36Å; V14-L41 HydrophobicContact CG1-CD1 4.38Å; V14-L41 HydrophobicContact CG1-CD2 4.12Å; V14-L41 HydrophobicContact CG2-CD2 4.4Å; W17-L41 HydrophobicContact CD2-CD2 4.38Å; W17-L41 HydrophobicContact CE3-CD2 3.83Å; W17-L41 HydrophobicContact CH2-CD2 4.47Å; W17-L41 HydrophobicContact CZ3-CD1 4.1Å; W17-L41 HydrophobicContact CZ3-CD2 3.89Å; D37-L41 WeakPolarHBondContact O-CB 3.31Å; D37-L41 PolarHBondContact O-N 2.81Å; G38-L41 PolarHBondContact O-N 3.2Å; T39-L41 VanDerWaalsContact C-N 3.33Å; T39-L41 PolarHBondContact O-N 2.85Å; L41-L44 VanDerWaalsContact O-CB 3.32Å; L41-L44 WeakPolarHBondContact O-CB 3.28Å; L41-L44 PolarHBondContact O-N 3.21Å; L41-I69 HydrophobicContact CD1-CD1 4.08Å; L41-I69 HydrophobicContact CD1-CG1 4.06Å; L41-I69 WeakPolarHBondContact O-CG2 3.29Å; L41-L72 HydrophobicContact CD2-CD2 3.59Å; L41-L72 HydrophobicContact CG-CD2 4.33Å
42L87.7Confident86.2Confident0 Ų058 Ų580%029%0.289CS..Hα-helixtrans-70.2-30.7176.6-73.7174.4000112.6V6 G38 T39 L44 L72 Q73 N76 V79 L80V6-L42 HydrophobicContact CB-CD1 4.2Å; V6-L42 HydrophobicContact CG1-CD1 3.67Å; V6-L42 HydrophobicContact CG1-CD2 4.32Å; V6-L42 HydrophobicContact CG1-CG 3.87Å; G38-L42 VanDerWaalsContact O-CG 3.31Å; G38-L42 WeakPolarHBondContact O-CG 3.3Å; G38-L42 PolarHBondContact O-N 3.1Å; T39-L42 PolarHBondContact O-N 3.17Å; L42-L44 VanDerWaalsContact C-N 3.3Å; L42-L72 HydrophobicContact CD2-CD2 4.3Å; L42-L72 HydrophobicContact CD2-CG 4.09Å; L42-Q73 HydrophobicContact CD2-CG 4.01Å; L42-Q73 PolarHBondContact O-NE2 2.97Å; L42-N76 HydrophobicContact CD1-CB 4.43Å; L42-N76 HydrophobicContact CD2-CB 4.46Å; L42-V79 HydrophobicContact CD1-CG1 4.18Å; L42-L80 HydrophobicContact CB-CD1 4.42Å
43A85.4Confident86Confident48 Ų4857 Ų5740%0.39729%0.288SS..THydrogen-bonded Turntrans-83.3-5.8176.200000113.6T39 S40 S45 V85T39-A43 PolarHBondContact O-N 3.46Å; S40-A43 PolarHBondContact O-N 2.95Å; A43-S45 PolarHBondContact O-N 2.95Å; A43-V85 HydrophobicContact CB-CG2 4.38Å
44L86.3Confident85.9Confident11 Ų1150.7 Ų50.76%0.05826%0.262CS..  trans-69.5126.8-170.9-152.7111.5000112.1L36 S40 L41 L42 D48 L49 I69L36-L44 HydrophobicContact CD1-CD1 3.86Å; L36-L44 HydrophobicContact CD2-CD1 3.79Å; S40-L44 PolarHBondContact O-N 3.48Å; S40-L44 VanDerWaalsContact O-N 3.13Å; L41-L44 VanDerWaalsContact O-CB 3.32Å; L41-L44 WeakPolarHBondContact O-CB 3.28Å; L41-L44 PolarHBondContact O-N 3.21Å; L42-L44 VanDerWaalsContact C-N 3.3Å; L44-D48 HydrophobicContact CG-CB 4.44Å; L44-L49 HydrophobicContact CD2-CD1 4.07Å; L44-L49 HydrophobicContact CD2-CD2 3.38Å; L44-L49 HydrophobicContact CD2-CG 3.53Å; L44-I69 HydrophobicContact CB-CD1 4.37Å; L44-I69 HydrophobicContact CD2-CD1 3.65Å
45S84.6Confident85.8Confident42 Ų4253.6 Ų53.629%0.29428%0.276SS..  trans-100.4164.9178.478.70000112.6A43 Y47 D48 L49A43-S45 PolarHBondContact O-N 2.95Å; S45-Y47 PolarHBondContact O-N 3.31Å; S45-Y47 PolarHBondContact OG-N 2.9Å; S45-D48 VanDerWaalsContact CB-OD2 3.29Å; S45-D48 WeakPolarHBondContact CB-OD2 3.49Å; S45-D48 PolarHBondContact N-OD2 3.47Å; S45-D48 PolarHBondContact O-N 2.87Å; S45-D48 PolarHBondContact OG-N 2.79Å; S45-D48 PolarHBondContact OG-OD2 3.06Å; S45-L49 PolarHBondContact O-N 3.29Å
46E83.1Confident85.6Confident37 Ų3745.4 Ų45.417%0.17325%0.246CC..Hα-helixtrans-64.3-25172.7-174.8171.4174.300111.9R50 I62 K63 M66E46-R50 WeakPolarHBondContact O-CG 3.44Å; E46-R50 IonicContact OE1-CZ 2.64Å; E46-R50 VanDerWaalsContact OE1-CZ 3.25Å; E46-R50 IonicContact OE1-NE 2.66Å; E46-R50 PolarHBondContact OE1-NE 2.78Å; E46-R50 IonicContact OE1-NH2 3.25Å; E46-R50 PolarHBondContact OE1-NH2 2.64Å; E46-I62 HydrophobicContact CG-CG2 4.27Å; E46-K63 VanDerWaalsContact OE1-CE 3.22Å; E46-K63 WeakPolarHBondContact OE1-CE 3.23Å; E46-K63 IonicContact OE1-NZ 2.99Å; E46-K63 PolarHBondContact OE1-NZ 3.13Å; E46-K63 IonicContact OE2-NZ 2.64Å; E46-K63 PolarHBondContact OE2-NZ 2.83Å; E46-M66 HydrophobicContact CB-CG 4.33Å; E46-M66 HydrophobicContact CB-SD 4.02Å
47Y80.5Confident85.5Confident131 Ų13154.1 Ų54.151%0.51428%0.283SS..Hα-helixtrans-67.6-47.5175.7178.5-96000110.5S45 L49 R50 S51 Q125S45-Y47 PolarHBondContact O-N 3.31Å; S45-Y47 PolarHBondContact OG-N 2.9Å; Y47-L49 PolarHBondContact O-N 3.08Å; Y47-R50 PolarHBondContact O-N 3.26Å; Y47-S51 WeakPolarHBondContact CE1-OG 3.33Å; Y47-S51 PolarHBondContact O-N 3.36Å; Y47-S51 PolarHBondContact O-OG 3.49Å; Y47-Q125 VanDerWaalsContact CZ-NE2 3.34Å; Y47-Q125 PolarHBondContact OH-NE2 3.17Å
48D87.2Confident85.4Confident60 Ų6055 Ų5532%0.32129%0.29SS..Hα-helixtrans-60.9-33.8-177.5-54.7-47.8000112.7L44 S45 R50 L54L44-D48 HydrophobicContact CG-CB 4.44Å; S45-D48 VanDerWaalsContact CB-OD2 3.29Å; S45-D48 WeakPolarHBondContact CB-OD2 3.49Å; S45-D48 PolarHBondContact N-OD2 3.47Å; S45-D48 PolarHBondContact O-N 2.87Å; S45-D48 PolarHBondContact OG-N 2.79Å; S45-D48 PolarHBondContact OG-OD2 3.06Å; D48-R50 VanDerWaalsContact C-N 3.29Å; D48-R50 PolarHBondContact O-N 3.05Å; D48-L54 WeakPolarHBondContact O-CB 3.14Å; D48-L54 WeakPolarHBondContact O-CD1 3.4Å
49L87.9Confident85.2Confident0 Ų060 Ų600%032%0.316CS..Hα-helixtrans-66.1-30.2174.6-70.5175.3000112.9L44 S45 Y47 L54 L56 I62 L65 M66L44-L49 HydrophobicContact CD2-CD1 4.07Å; L44-L49 HydrophobicContact CD2-CD2 3.38Å; L44-L49 HydrophobicContact CD2-CG 3.53Å; S45-L49 PolarHBondContact O-N 3.29Å; Y47-L49 PolarHBondContact O-N 3.08Å; L49-L54 HydrophobicContact CD2-CD1 4.17Å; L49-L56 HydrophobicContact CB-CD1 3.88Å; L49-L56 HydrophobicContact CD2-CD1 3.42Å; L49-L56 VanDerWaalsContact CD2-CD1 3.42Å; L49-L56 HydrophobicContact CG-CD1 4.19Å; L49-L56 VanDerWaalsContact O-CB 3.32Å; L49-L56 WeakPolarHBondContact O-CB 3.48Å; L49-L56 PolarHBondContact O-N 2.84Å; L49-I62 HydrophobicContact CB-CG2 4.15Å; L49-I62 HydrophobicContact CD1-CG2 4.13Å; L49-L65 HydrophobicContact CD1-CD2 4.36Å; L49-L65 HydrophobicContact CD2-CD2 3.71Å; L49-M66 HydrophobicContact CD1-CB 4.45Å; L49-M66 HydrophobicContact CD1-SD 4.4Å
50R85.9Confident85.1Confident120 Ų12059.9 Ų59.945%0.45332%0.322SS..Hα-helixtrans-97-33.4-173.5-69175.4176.7-1560.2113E46 Y47 D48 I62E46-R50 WeakPolarHBondContact O-CG 3.44Å; E46-R50 IonicContact OE1-CZ 2.64Å; E46-R50 VanDerWaalsContact OE1-CZ 3.25Å; E46-R50 IonicContact OE1-NE 2.66Å; E46-R50 PolarHBondContact OE1-NE 2.78Å; E46-R50 IonicContact OE1-NH2 3.25Å; E46-R50 PolarHBondContact OE1-NH2 2.64Å; Y47-R50 PolarHBondContact O-N 3.26Å; D48-R50 VanDerWaalsContact C-N 3.29Å; D48-R50 PolarHBondContact O-N 3.05Å; R50-I62 HydrophobicContact CG-CD1 4Å; R50-I62 HydrophobicContact CG-CG2 4.36Å
51S80.4Confident85.1Confident15 Ų1559 Ų5911%0.10531%0.314CS..SBendtrans-86.3162.1-178.960.10000111.6Y47 L54 E55Y47-S51 WeakPolarHBondContact CE1-OG 3.33Å; Y47-S51 PolarHBondContact O-N 3.36Å; Y47-S51 PolarHBondContact O-OG 3.49Å; S51-L54 PolarHBondContact O-N 3.23Å; S51-L54 VanDerWaalsContact O-N 3.17Å; S51-E55 PolarHBondContact O-N 3.16Å; S51-E55 VanDerWaalsContact O-N 3.13Å
52P78.8Confident84.9Confident88 Ų8859.2 Ų59.257%0.57132%0.315SS*.THydrogen-bonded Turntrans-52.1137.816120.4-31000109.6E55P52-E55 HydrophobicContact CB-CG 4.18Å; P52-E55 WeakPolarHBondContact CB-OE1 3.47Å
53P82.3Confident85Confident90 Ų9063.5 Ų63.558%0.58433%0.333SS*.THydrogen-bonded Turncis-97.8-0.417.339.1-38.1000116.1H34H34-P53 PolarHBondContact NE2-O 3.25Å
54L85.2Confident85.1Confident16 Ų1667.8 Ų67.88%0.08434%0.34CS..THydrogen-bonded Turntrans-88.2-42.1-175-66.9179.7000114L29 L30 H34 D48 L49 S51 L56L29-L54 HydrophobicContact CG-CD2 4.38Å; L30-L54 HydrophobicContact CD2-CD1 3.79Å; L30-L54 HydrophobicContact CD2-CD2 3.64Å; L30-L54 HydrophobicContact CD2-CG 4.36Å; H34-L54 HydrophobicContact CB-CD2 4.17Å; H34-L54 WeakPolarHBondContact CD2-CD2 3.35Å; D48-L54 WeakPolarHBondContact O-CB 3.14Å; D48-L54 WeakPolarHBondContact O-CD1 3.4Å; L49-L54 HydrophobicContact CD2-CD1 4.17Å; S51-L54 PolarHBondContact O-N 3.23Å; S51-L54 VanDerWaalsContact O-N 3.17Å; L54-L56 PolarHBondContact O-N 3.36Å
55E85.2Confident85.4Confident116 Ų11667.3 Ų67.354%0.54234%0.337SS..  trans46.150.3173.7-55.7-171.9161.800115.4S51 P52 K57S51-E55 PolarHBondContact O-N 3.16Å; S51-E55 VanDerWaalsContact O-N 3.13Å; P52-E55 HydrophobicContact CB-CG 4.18Å; P52-E55 WeakPolarHBondContact CB-OE1 3.47Å; E55-K57 PolarHBondContact O-N 3.01Å
56L87.6Confident85.6Confident17 Ų1765.7 Ų65.79%0.08933%0.325CS..  trans-66.2123178.4-69.5161.1000111Y26 L29 L49 L54 I62Y26-L56 HydrophobicContact CD1-CD2 3.32Å; Y26-L56 HydrophobicContact CE1-CD2 3.06Å; Y26-L56 HydrophobicContact CG-CD2 4.23Å; L29-L56 HydrophobicContact CD2-CD2 4.08Å; L49-L56 HydrophobicContact CB-CD1 3.88Å; L49-L56 HydrophobicContact CD2-CD1 3.42Å; L49-L56 VanDerWaalsContact CD2-CD1 3.42Å; L49-L56 HydrophobicContact CG-CD1 4.19Å; L49-L56 VanDerWaalsContact O-CB 3.32Å; L49-L56 WeakPolarHBondContact O-CB 3.48Å; L49-L56 PolarHBondContact O-N 2.84Å; L54-L56 PolarHBondContact O-N 3.36Å; L56-I62 HydrophobicContact CB-CD1 3.86Å; L56-I62 HydrophobicContact CB-CG1 3.59Å; L56-I62 HydrophobicContact CD1-CG1 4.19Å; L56-I62 VanDerWaalsContact O-CD1 3.23Å; L56-I62 WeakPolarHBondContact O-CD1 3.37Å
57K85.6Confident85.8Confident202 Ų20269.6 Ų69.688%0.87834%0.344SS*.  trans-83.6-26-174.2-62.1-172.8179.6-179.20114.1E55E55-K57 PolarHBondContact O-N 3.01Å
58V88.4Confident86.3Confident73 Ų7364.2 Ų64.244%0.44233%0.326SS..  trans-96107.6-173.4-174.20000110.2G60 D61 I62V58-G60 VanDerWaalsContact C-N 3.27Å; V58-G60 PolarHBondContact O-N 2.94Å; V58-D61 HydrophobicContact CB-CB 4.28Å; V58-D61 WeakPolarHBondContact CB-OD2 3.46Å; V58-D61 HydrophobicContact CG1-CB 4.35Å; V58-D61 VanDerWaalsContact CG1-OD2 3.24Å; V58-D61 WeakPolarHBondContact CG1-OD2 3.31Å; V58-D61 PolarHBondContact O-N 2.64Å; V58-I62 WeakPolarHBondContact O-CG1 3.26Å; V58-I62 PolarHBondContact O-N 3.41Å; V58-I62 VanDerWaalsContact O-N 3.16Å
59L82.6Confident86.4Confident105 Ų10561.4 Ų61.455%0.5531%0.311SS..Hα-helixtrans-59.4-36.6-177.5-177.665.8000113.1D61 I62 K63L59-D61 VanDerWaalsContact C-N 3.3Å; L59-D61 PolarHBondContact O-N 2.97Å; L59-I62 PolarHBondContact O-N 3.46Å; L59-K63 HydrophobicContact CD1-CG 4.5Å; L59-K63 WeakPolarHBondContact O-CG 3.47Å; L59-K63 PolarHBondContact O-N 3.43Å
60G84.4Confident86.3Confident35 Ų3567 Ų6736%0.36133%0.332SS..Hα-helixtrans-61.3-39.7178.700000112.3V58 K63 R64V58-G60 VanDerWaalsContact C-N 3.27Å; V58-G60 PolarHBondContact O-N 2.94Å; G60-K63 PolarHBondContact O-N 3.37Å; G60-R64 WeakPolarHBondContact O-CB 3.28Å; G60-R64 VanDerWaalsContact O-CG 3.31Å; G60-R64 WeakPolarHBondContact O-CG 3.38Å; G60-R64 PolarHBondContact O-N 2.87Å; G60-R64 PolarHBondContact O-NE 3.44Å
61D88.1Confident86.4Confident32 Ų3267 Ų6717%0.17134%0.335CS..Hα-helixtrans-74.9-39-179.8-61-26.8000111.3Y26 V58 L59 K63 R64 L65Y26-D61 HydrophobicContact CE2-CB 3.74Å; Y26-D61 WeakPolarHBondContact OH-CB 3.19Å; Y26-D61 PolarHBondContact OH-OD2 3.47Å; V58-D61 HydrophobicContact CB-CB 4.28Å; V58-D61 WeakPolarHBondContact CB-OD2 3.46Å; V58-D61 HydrophobicContact CG1-CB 4.35Å; V58-D61 VanDerWaalsContact CG1-OD2 3.24Å; V58-D61 WeakPolarHBondContact CG1-OD2 3.31Å; V58-D61 PolarHBondContact O-N 2.64Å; L59-D61 VanDerWaalsContact C-N 3.3Å; L59-D61 PolarHBondContact O-N 2.97Å; D61-K63 VanDerWaalsContact C-N 3.31Å; D61-K63 PolarHBondContact O-N 3.15Å; D61-R64 PolarHBondContact O-N 3.43Å; D61-R64 IonicContact OD1-CZ 3.49Å; D61-R64 IonicContact OD1-NE 3.54Å; D61-R64 IonicContact OD1-NH2 2.69Å; D61-R64 PolarHBondContact OD1-NH2 2.83Å; D61-L65 WeakPolarHBondContact O-CB 3.35Å; D61-L65 PolarHBondContact O-N 3.28Å
62I86.1Confident86.7Confident5 Ų566.7 Ų66.73%0.02633%0.332CS..Hα-helixtrans-55.4-47.9171.5-65.5162.6000110.7E46 L49 R50 L56 V58 L59 M66E46-I62 HydrophobicContact CG-CG2 4.27Å; L49-I62 HydrophobicContact CB-CG2 4.15Å; L49-I62 HydrophobicContact CD1-CG2 4.13Å; R50-I62 HydrophobicContact CG-CD1 4Å; R50-I62 HydrophobicContact CG-CG2 4.36Å; L56-I62 HydrophobicContact CB-CD1 3.86Å; L56-I62 HydrophobicContact CB-CG1 3.59Å; L56-I62 HydrophobicContact CD1-CG1 4.19Å; L56-I62 VanDerWaalsContact O-CD1 3.23Å; L56-I62 WeakPolarHBondContact O-CD1 3.37Å; V58-I62 WeakPolarHBondContact O-CG1 3.26Å; V58-I62 PolarHBondContact O-N 3.41Å; V58-I62 VanDerWaalsContact O-N 3.16Å; L59-I62 PolarHBondContact O-N 3.46Å; I62-M66 VanDerWaalsContact O-CB 3.31Å; I62-M66 WeakPolarHBondContact O-CB 3.42Å; I62-M66 PolarHBondContact O-N 2.91Å
63K88.9Confident87.1Confident90 Ų9063.3 Ų63.339%0.39131%0.309SS..Hα-helixtrans-68.2-41.7-178.7-73.3-60.4-168.2-174.80112.4E46 L59 G60 D61 M67E46-K63 VanDerWaalsContact OE1-CE 3.22Å; E46-K63 WeakPolarHBondContact OE1-CE 3.23Å; E46-K63 IonicContact OE1-NZ 2.99Å; E46-K63 PolarHBondContact OE1-NZ 3.13Å; E46-K63 IonicContact OE2-NZ 2.64Å; E46-K63 PolarHBondContact OE2-NZ 2.83Å; L59-K63 HydrophobicContact CD1-CG 4.5Å; L59-K63 WeakPolarHBondContact O-CG 3.47Å; L59-K63 PolarHBondContact O-N 3.43Å; G60-K63 PolarHBondContact O-N 3.37Å; D61-K63 VanDerWaalsContact C-N 3.31Å; D61-K63 PolarHBondContact O-N 3.15Å; K63-M67 WeakPolarHBondContact O-CG 3.38Å; K63-M67 PolarHBondContact O-N 3.22Å; K63-M67 VanDerWaalsContact O-N 3.12Å
64R89Confident87.2Confident139 Ų13966.1 Ų66.153%0.52531%0.312SS..Hα-helixtrans-64.4-45.8177.2-72.6-175.5-78.5-154.61.7111.2F23 G60 D61 M66 M67 S68F23-R64 HydrophobicContact CE1-CB 4.02Å; F23-R64 HydrophobicContact CZ-CB 3.7Å; G60-R64 WeakPolarHBondContact O-CB 3.28Å; G60-R64 VanDerWaalsContact O-CG 3.31Å; G60-R64 WeakPolarHBondContact O-CG 3.38Å; G60-R64 PolarHBondContact O-N 2.87Å; G60-R64 PolarHBondContact O-NE 3.44Å; D61-R64 PolarHBondContact O-N 3.43Å; D61-R64 IonicContact OD1-CZ 3.49Å; D61-R64 IonicContact OD1-NE 3.54Å; D61-R64 IonicContact OD1-NH2 2.69Å; D61-R64 PolarHBondContact OD1-NH2 2.83Å; R64-M66 PolarHBondContact O-N 3.39Å; R64-M67 HydrophobicContact CG-CE 4.36Å; R64-M67 WeakPolarHBondContact O-CB 3.23Å; R64-M67 PolarHBondContact O-N 2.7Å; R64-S68 PolarHBondContact O-N 2.99Å; R64-S68 VanDerWaalsContact O-N 3.13Å
65L90.8Very high87.1Confident1 Ų171.6 Ų71.61%0.00534%0.337CS..Hα-helixtrans-63.1-44.3178.6-178.659.6000111.6W17 L18 F23 L30 L49 D61 M67 S68 I69W17-L65 HydrophobicContact CZ3-CD1 4.41Å; L18-L65 HydrophobicContact CD2-CD1 3.72Å; F23-L65 HydrophobicContact CD1-CB 4.34Å; F23-L65 HydrophobicContact CD1-CD1 4.5Å; F23-L65 HydrophobicContact CD2-CD1 3.86Å; F23-L65 HydrophobicContact CE1-CB 3.86Å; F23-L65 HydrophobicContact CE2-CB 4.32Å; F23-L65 HydrophobicContact CE2-CD1 3.99Å; F23-L65 HydrophobicContact CG-CD1 4.13Å; F23-L65 VanDerWaalsContact CZ-CA 3.46Å; F23-L65 HydrophobicContact CZ-CB 3.86Å; F23-L65 HydrophobicContact CZ-CD1 4.37Å; F23-L65 VanDerWaalsContact CZ-N 3.27Å; L30-L65 HydrophobicContact CD1-CD2 4.03Å; L49-L65 HydrophobicContact CD1-CD2 4.36Å; L49-L65 HydrophobicContact CD2-CD2 3.71Å; D61-L65 WeakPolarHBondContact O-CB 3.35Å; D61-L65 PolarHBondContact O-N 3.28Å; L65-M67 VanDerWaalsContact C-N 3.27Å; L65-M67 PolarHBondContact O-N 3.21Å; L65-S68 PolarHBondContact O-N 2.66Å; L65-I69 HydrophobicContact CD1-CD1 4.2Å; L65-I69 HydrophobicContact CD1-CG1 4.4Å; L65-I69 HydrophobicContact CG-CD1 3.93Å; L65-I69 WeakPolarHBondContact O-CG1 3.45Å; L65-I69 PolarHBondContact O-N 3.04Å
66M90.6Very high87.1Confident8 Ų867.2 Ų67.24%0.03932%0.318CS..Hα-helixtrans-62.7-33.1176.8-168.470.9-136.700112.4E46 L49 I62 R64 I69 R70E46-M66 HydrophobicContact CB-CG 4.33Å; E46-M66 HydrophobicContact CB-SD 4.02Å; L49-M66 HydrophobicContact CD1-CB 4.45Å; L49-M66 HydrophobicContact CD1-SD 4.4Å; I62-M66 VanDerWaalsContact O-CB 3.31Å; I62-M66 WeakPolarHBondContact O-CB 3.42Å; I62-M66 PolarHBondContact O-N 2.91Å; R64-M66 PolarHBondContact O-N 3.39Å; M66-I69 HydrophobicContact CE-CG2 4.33Å; M66-R70 HydrophobicContact CE-CG 3.81Å; M66-R70 WeakPolarHBondContact O-CB 3.34Å; M66-R70 WeakPolarHBondContact O-CG 3.38Å; M66-R70 PolarHBondContact O-N 2.89Å
67M86.8Confident86.5Confident118 Ų11870.2 Ų70.258%0.58133%0.332SS*.Hα-helixtrans-67.4-43174.2-74.4-170.5-63.100111.9K63 R64 L65 R70 K71K63-M67 WeakPolarHBondContact O-CG 3.38Å; K63-M67 PolarHBondContact O-N 3.22Å; K63-M67 VanDerWaalsContact O-N 3.12Å; R64-M67 HydrophobicContact CG-CE 4.36Å; R64-M67 WeakPolarHBondContact O-CB 3.23Å; R64-M67 PolarHBondContact O-N 2.7Å; L65-M67 VanDerWaalsContact C-N 3.27Å; L65-M67 PolarHBondContact O-N 3.21Å; M67-R70 PolarHBondContact O-N 3.07Å; M67-K71 WeakPolarHBondContact O-CB 3.31Å; M67-K71 PolarHBondContact O-N 3.43Å
68S89.8Confident86.1Confident18 Ų1865.9 Ų65.913%0.12632%0.318CS..Hα-helixtrans-63.4-41174.7-64.80000111.9E21 R64 L65 K71 L72E21-S68 VanDerWaalsContact OE2-CB 3.26Å; E21-S68 WeakPolarHBondContact OE2-CB 3.38Å; E21-S68 PolarHBondContact OE2-OG 3.02Å; R64-S68 PolarHBondContact O-N 2.99Å; R64-S68 VanDerWaalsContact O-N 3.13Å; L65-S68 PolarHBondContact O-N 2.66Å; S68-K71 WeakPolarHBondContact O-CB 3.33Å; S68-K71 PolarHBondContact O-N 3.37Å; S68-L72 PolarHBondContact O-N 2.57Å
69I89.7Confident85.6Confident1 Ų162.8 Ų62.81%0.00530%0.3CS..Hα-helixtrans-64.3-44.6175.2-67.1169.4000111.1W17 L41 L44 L65 M66 K71 L72 Q73W17-I69 HydrophobicContact CH2-CG1 4.08Å; L41-I69 HydrophobicContact CD1-CD1 4.08Å; L41-I69 HydrophobicContact CD1-CG1 4.06Å; L41-I69 WeakPolarHBondContact O-CG2 3.29Å; L44-I69 HydrophobicContact CB-CD1 4.37Å; L44-I69 HydrophobicContact CD2-CD1 3.65Å; L65-I69 HydrophobicContact CD1-CD1 4.2Å; L65-I69 HydrophobicContact CD1-CG1 4.4Å; L65-I69 HydrophobicContact CG-CD1 3.93Å; L65-I69 WeakPolarHBondContact O-CG1 3.45Å; L65-I69 PolarHBondContact O-N 3.04Å; M66-I69 HydrophobicContact CE-CG2 4.33Å; I69-K71 VanDerWaalsContact C-N 3.3Å; I69-K71 PolarHBondContact O-N 2.93Å; I69-L72 CarbonylContact O-C 3.49Å; I69-L72 WeakPolarHBondContact O-CA 3.49Å; I69-L72 WeakPolarHBondContact O-CB 3.42Å; I69-L72 PolarHBondContact O-N 3.06Å; I69-L72 VanDerWaalsContact O-N 3.1Å; I69-Q73 HydrophobicContact CG2-CG 4.31Å; I69-Q73 WeakPolarHBondContact O-CG 3.32Å; I69-Q73 PolarHBondContact O-N 3.29Å
70R87.1Confident85.2Confident117 Ų11758 Ų5844%0.44228%0.275SS..Hα-helixtrans-63-36176.1-78.1-175.5-178.5136.37.1112.9M66 M67 L72 Q73 K74M66-R70 HydrophobicContact CE-CG 3.81Å; M66-R70 WeakPolarHBondContact O-CB 3.34Å; M66-R70 WeakPolarHBondContact O-CG 3.38Å; M66-R70 PolarHBondContact O-N 2.89Å; M67-R70 PolarHBondContact O-N 3.07Å; R70-L72 VanDerWaalsContact C-N 3.32Å; R70-Q73 PolarHBondContact O-N 3.23Å; R70-K74 WeakPolarHBondContact O-CB 3.37Å; R70-K74 PolarHBondContact O-N 2.59Å
71K87Confident84.6Confident120 Ų12064 Ų6452%0.52229%0.294SS..Hα-helixtrans-63.1-42.4173.4-175.3-176.3173.8-167.30110.5M67 S68 I69 K74 Q75M67-K71 WeakPolarHBondContact O-CB 3.31Å; M67-K71 PolarHBondContact O-N 3.43Å; S68-K71 WeakPolarHBondContact O-CB 3.33Å; S68-K71 PolarHBondContact O-N 3.37Å; I69-K71 VanDerWaalsContact C-N 3.3Å; I69-K71 PolarHBondContact O-N 2.93Å; K71-K74 PolarHBondContact O-N 2.91Å; K71-Q75 VanDerWaalsContact O-CG 3.32Å; K71-Q75 WeakPolarHBondContact O-CG 3.3Å; K71-Q75 PolarHBondContact O-N 2.74Å; K71-Q75 VanDerWaalsContact O-N 3.17Å
72L86.8Confident83.7Confident9 Ų968.5 Ų68.55%0.04731%0.313CS..Hα-helixtrans-66.1-42.9176.3-16868.2000112.3V6 W9 W17 L41 L42 S68 I69 R70 Q75 N76V6-L72 HydrophobicContact CG1-CD2 4.29Å; V6-L72 HydrophobicContact CG2-CD1 4.07Å; W9-L72 HydrophobicContact CH2-CD1 4.17Å; W9-L72 HydrophobicContact CH2-CD2 4.48Å; W9-L72 HydrophobicContact CZ3-CD2 4.12Å; W17-L72 HydrophobicContact CZ2-CB 4.33Å; W17-L72 HydrophobicContact CZ2-CD2 4.11Å; L41-L72 HydrophobicContact CD2-CD2 3.59Å; L41-L72 HydrophobicContact CG-CD2 4.33Å; L42-L72 HydrophobicContact CD2-CD2 4.3Å; L42-L72 HydrophobicContact CD2-CG 4.09Å; S68-L72 PolarHBondContact O-N 2.57Å; I69-L72 CarbonylContact O-C 3.49Å; I69-L72 WeakPolarHBondContact O-CA 3.49Å; I69-L72 WeakPolarHBondContact O-CB 3.42Å; I69-L72 PolarHBondContact O-N 3.06Å; I69-L72 VanDerWaalsContact O-N 3.1Å; R70-L72 VanDerWaalsContact C-N 3.32Å; L72-Q75 PolarHBondContact O-N 3.06Å; L72-N76 PolarHBondContact O-N 3.14Å; L72-N76 PolarHBondContact O-ND2 2.9Å
73Q86.9Confident82.8Confident17 Ų1771.8 Ų71.88%0.07933%0.331CS..Hα-helixtrans-59.4-45.7174.2-73.2169.3-22.100111.7L42 I69 R70 Q75 N76 M77 L80 F87L42-Q73 HydrophobicContact CD2-CG 4.01Å; L42-Q73 PolarHBondContact O-NE2 2.97Å; I69-Q73 HydrophobicContact CG2-CG 4.31Å; I69-Q73 WeakPolarHBondContact O-CG 3.32Å; I69-Q73 PolarHBondContact O-N 3.29Å; R70-Q73 PolarHBondContact O-N 3.23Å; Q73-Q75 PolarHBondContact O-N 3.37Å; Q73-N76 CarbonylContact O-C 3.58Å; Q73-N76 VanDerWaalsContact O-C 3.31Å; Q73-N76 PolarHBondContact O-N 2.98Å; Q73-N76 VanDerWaalsContact O-N 3.08Å; Q73-M77 PolarHBondContact O-N 3.18Å; Q73-L80 HydrophobicContact CB-CD2 4.36Å; Q73-L80 HydrophobicContact CG-CD2 4.5Å; Q73-F87 HydrophobicContact CB-CD2 4.05Å; Q73-F87 HydrophobicContact CB-CE2 3.66Å
74K83.9Confident81.4Confident150 Ų15070.5 Ų70.565%0.65234%0.343SS*.Hα-helixtrans-62.5-31.3177.6-172.5177.8179.2-178.80112.6R70 K71 N76 F87R70-K74 WeakPolarHBondContact O-CB 3.37Å; R70-K74 PolarHBondContact O-N 2.59Å; K71-K74 PolarHBondContact O-N 2.91Å; K74-N76 VanDerWaalsContact C-N 3.33Å; K74-F87 HydrophobicContact CB-CZ 4.37Å
75Q83.1Confident80.2Confident130 Ų13066.2 Ų66.261%0.60733%0.332SS*.Hα-helixtrans-78.7-15.3177.3-72.7174.7-19.900113.5K71 L72 Q73K71-Q75 VanDerWaalsContact O-CG 3.32Å; K71-Q75 WeakPolarHBondContact O-CG 3.3Å; K71-Q75 PolarHBondContact O-N 2.74Å; K71-Q75 VanDerWaalsContact O-N 3.17Å; L72-Q75 PolarHBondContact O-N 3.06Å; Q73-Q75 PolarHBondContact O-N 3.37Å
76N85.3Confident78.6Confident24 Ų2471.3 Ų71.313%0.12837%0.366CS..THydrogen-bonded Turntrans-131.143.5-175.5-61.6-98.2000110.5V6 L42 L72 Q73 K74 D78 V79 L80V6-N76 VanDerWaalsContact CG2-OD1 3.3Å; V6-N76 WeakPolarHBondContact CG2-OD1 3.41Å; L42-N76 HydrophobicContact CD1-CB 4.43Å; L42-N76 HydrophobicContact CD2-CB 4.46Å; L72-N76 PolarHBondContact O-N 3.14Å; L72-N76 PolarHBondContact O-ND2 2.9Å; Q73-N76 CarbonylContact O-C 3.58Å; Q73-N76 VanDerWaalsContact O-C 3.31Å; Q73-N76 PolarHBondContact O-N 2.98Å; Q73-N76 VanDerWaalsContact O-N 3.08Å; K74-N76 VanDerWaalsContact C-N 3.33Å; N76-D78 VanDerWaalsContact C-N 3.28Å; N76-D78 VanDerWaalsContact C-OD1 3.27Å; N76-D78 WeakPolarHBondContact CA-OD1 3.47Å; N76-D78 PolarHBondContact O-N 3.44Å; N76-V79 HydrophobicContact CB-CB 4.39Å; N76-V79 HydrophobicContact CB-CG2 4.39Å; N76-V79 PolarHBondContact O-N 3.32Å; N76-L80 PolarHBondContact O-N 2.99Å
77M76.6Confident76.9Confident81 Ų8173.7 Ų73.740%0.39938%0.376SS..Hα-helixtrans-62.5-36.2-177.5-81.7-175.948.500112.7Q73 V79 L80 E81 L90Q73-M77 PolarHBondContact O-N 3.18Å; M77-V79 VanDerWaalsContact C-N 3.33Å; M77-V79 PolarHBondContact O-N 3.48Å; M77-L80 PolarHBondContact O-N 2.62Å; M77-E81 WeakPolarHBondContact O-CB 3.46Å; M77-E81 PolarHBondContact O-N 3.44Å; M77-L90 HydrophobicContact CE-CD1 3.9Å; M77-L90 HydrophobicContact SD-CD1 4.48Å
78D75.9Confident75.1Confident110 Ų11076.1 Ų76.159%0.58839%0.391SS*.Hα-helixtrans-57.7-43.6175.256.8-43.4000112N76 L80 E82N76-D78 VanDerWaalsContact C-N 3.28Å; N76-D78 VanDerWaalsContact C-OD1 3.27Å; N76-D78 WeakPolarHBondContact CA-OD1 3.47Å; N76-D78 PolarHBondContact O-N 3.44Å; D78-L80 VanDerWaalsContact C-N 3.34Å; D78-E82 PolarHBondContact O-N 3.28Å
79V77.5Confident73Confident8 Ų877.6 Ų77.65%0.04841%0.409CS..Hα-helixtrans-70.1-33.7177-177.10000111.3R7 L42 N76 M77 L83R7-V79 HydrophobicContact CB-CG1 4.16Å; L42-V79 HydrophobicContact CD1-CG1 4.18Å; N76-V79 HydrophobicContact CB-CB 4.39Å; N76-V79 HydrophobicContact CB-CG2 4.39Å; N76-V79 PolarHBondContact O-N 3.32Å; M77-V79 VanDerWaalsContact C-N 3.33Å; M77-V79 PolarHBondContact O-N 3.48Å; V79-L83 HydrophobicContact CG1-CD1 3.98Å; V79-L83 WeakPolarHBondContact O-CB 3.19Å; V79-L83 WeakPolarHBondContact O-CD1 3.16Å; V79-L83 WeakPolarHBondContact O-CG 3.4Å; V79-L83 PolarHBondContact O-N 2.64Å
80L74.9Confident70.4Confident5 Ų583.5 Ų83.53%0.02644%0.44CS..Hα-helixtrans-74-36.5-178.6-163.467.2000112.2L42 Q73 N76 M77 D78 L83 G84 V85 F87L42-L80 HydrophobicContact CB-CD1 4.42Å; Q73-L80 HydrophobicContact CB-CD2 4.36Å; Q73-L80 HydrophobicContact CG-CD2 4.5Å; N76-L80 PolarHBondContact O-N 2.99Å; M77-L80 PolarHBondContact O-N 2.62Å; D78-L80 VanDerWaalsContact C-N 3.34Å; L80-L83 PolarHBondContact O-N 2.84Å; L80-G84 PolarHBondContact O-N 3.4Å; L80-V85 HydrophobicContact CD1-CB 3.69Å; L80-V85 HydrophobicContact CD1-CG1 3.98Å; L80-V85 HydrophobicContact CD1-CG2 4.37Å; L80-V85 HydrophobicContact CG-CB 4.19Å; L80-V85 PolarHBondContact O-N 3.43Å; L80-F87 HydrophobicContact CD2-CB 3.73Å; L80-F87 HydrophobicContact CD2-CD2 3.71Å; L80-F87 HydrophobicContact CD2-CG 4.08Å
81E72.4Confident67.6Low162 Ų16283.2 Ų83.276%0.75746%0.456SS*.Hα-helixtrans-66.6-40.8173.9-168.3171.6-171.600111.3M77 L83 G84M77-E81 WeakPolarHBondContact O-CB 3.46Å; M77-E81 PolarHBondContact O-N 3.44Å; E81-L83 VanDerWaalsContact C-N 3.27Å; E81-L83 PolarHBondContact O-N 3.24Å; E81-G84 PolarHBondContact O-N 3.2Å
82E69.2Low65.3Low125 Ų12584 Ų8458%0.58447%0.473SS*.Hα-helixtrans-64.2-30.4173.6-162.4-170155.700112.6R7 D78R7-E82 IonicContact CZ-OE1 3.42Å; R7-E82 VanDerWaalsContact CZ-OE1 3.27Å; R7-E82 IonicContact CZ-OE2 3.78Å; R7-E82 IonicContact NH1-OE1 3.27Å; R7-E82 PolarHBondContact NH1-OE1 3.41Å; R7-E82 IonicContact NH1-OE2 3.77Å; R7-E82 PolarHBondContact NH1-OE2 3.24Å; R7-E82 IonicContact NH2-OE1 3.15Å; R7-E82 PolarHBondContact NH2-OE1 3.22Å; D78-E82 PolarHBondContact O-N 3.28Å
83L66Low62.5Low74 Ų7488.9 Ų88.939%0.38751%0.508SS..THydrogen-bonded Turntrans-84.4-5.7178.9-72.1167.6000113.9T39 V79 L80 E81 V85T39-L83 HydrophobicContact CG2-CD1 4.13Å; V79-L83 HydrophobicContact CG1-CD1 3.98Å; V79-L83 WeakPolarHBondContact O-CB 3.19Å; V79-L83 WeakPolarHBondContact O-CD1 3.16Å; V79-L83 WeakPolarHBondContact O-CG 3.4Å; V79-L83 PolarHBondContact O-N 2.64Å; L80-L83 PolarHBondContact O-N 2.84Å; E81-L83 VanDerWaalsContact C-N 3.27Å; E81-L83 PolarHBondContact O-N 3.24Å; L83-V85 VanDerWaalsContact C-N 3.26Å; L83-V85 HydrophobicContact CB-CG2 4.23Å; L83-V85 PolarHBondContact O-N 2.9Å
84G60.9Low59.8Low64 Ų6493.4 Ų93.466%0.6654%0.542SS*.THydrogen-bonded Turntrans67.520.7179.600000114.7L80 E81L80-G84 PolarHBondContact O-N 3.4Å; E81-G84 PolarHBondContact O-N 3.2Å
85V63.1Low57Low49 Ų4992 Ų9230%0.29755%0.551SS.*  trans-92.7117.9179.3-179.10000109.2A43 L80 L83 F87A43-V85 HydrophobicContact CB-CG2 4.38Å; L80-V85 HydrophobicContact CD1-CB 3.69Å; L80-V85 HydrophobicContact CD1-CG1 3.98Å; L80-V85 HydrophobicContact CD1-CG2 4.37Å; L80-V85 HydrophobicContact CG-CB 4.19Å; L80-V85 PolarHBondContact O-N 3.43Å; L83-V85 VanDerWaalsContact C-N 3.26Å; L83-V85 HydrophobicContact CB-CG2 4.23Å; L83-V85 PolarHBondContact O-N 2.9Å; V85-F87 PolarHBondContact O-N 3.37Å
86P56.7Low54.4Low108 Ų10889.6 Ų89.670%0.70156%0.561SS**  trans-67.6120.8-177.724.6-31.2000111.3D88P86-D88 PolarHBondContact O-N 3.38Å
87F55.5Low51.5Low57 Ų5794.2 Ų94.225%0.2560%0.595CS.*  trans-84.8100.7171.7-172.2-107.3000110.5Q73 K74 L80 V85 G89 L90Q73-F87 HydrophobicContact CB-CD2 4.05Å; Q73-F87 HydrophobicContact CB-CE2 3.66Å; K74-F87 HydrophobicContact CB-CZ 4.37Å; L80-F87 HydrophobicContact CD2-CB 3.73Å; L80-F87 HydrophobicContact CD2-CD2 3.71Å; L80-F87 HydrophobicContact CD2-CG 4.08Å; V85-F87 PolarHBondContact O-N 3.37Å; F87-G89 PolarHBondContact O-N 3.31Å; F87-L90 HydrophobicContact CD1-CD1 4.22Å
88D48.1Very low49.1Very low170 Ų17097.9 Ų97.991%0.90962%0.617SS**THydrogen-bonded Turntrans-71.828.5178.9-87.8-17.9000114.7P86P86-D88 PolarHBondContact O-N 3.38Å
89G45.4Very low46.7Very low49 Ų49101 Ų10151%0.50563%0.632SS.*THydrogen-bonded Turntrans-106.4-1.6-172.200000116.9F87F87-G89 PolarHBondContact O-N 3.31Å
90L36.3Very low44.3Very low125 Ų125107 Ų10765%0.65466%0.66SS**  trans-113122.6-177.5-78.6142.4000111.8M77 F87M77-L90 HydrophobicContact CE-CD1 3.9Å; M77-L90 HydrophobicContact SD-CD1 4.48Å; F87-L90 HydrophobicContact CD1-CD1 4.22Å
91S28.3Very low42Very low111 Ų111118.4 Ų118.478%0.77670%0.702SS**PPolyproline II helixtrans-69.7143.7168.4-57.20000109.7S93S91-S93 PolarHBondContact O-N 3.48Å
92P39.4Very low39.8Very low135 Ų135116.4 Ų116.488%0.87770%0.696SS**PPolyproline II helixtrans-81.3118.1-168.430.2-31.4000111.7
93S27.5Very low37.7Very low113 Ų113115.3 Ų115.379%0.7970%0.701SS**PPolyproline II helixtrans-99.7120153.151.60000108.7S91S91-S93 PolarHBondContact O-N 3.48Å
94S29.1Very low35.9Very low112 Ų112119.3 Ų119.378%0.78372%0.723SS**  trans-26.2127.1170.853.60000118
95S26.4Very low34.3Very low119 Ų119120 Ų12083%0.83273%0.731SS**  175.2124.9128490000108.8
96G27.1Very low32.5Very low80 Ų80125 Ų12583%0.82576%0.756SS**  trans-77.7153.7-173.100000114.8
97S25.3Very low31.6Very low121 Ų121124.8 Ų124.885%0.84676%0.755SS**  trans-166.9115.3142.343.60000108.4
98N26.4Very low30.3Very low159 Ų159125.4 Ų125.485%0.8578%0.777SS**  trans-65.4140.5166.2-81.7-32.1000109.5
99L25.6Very low29.4Very low174 Ų174128.9 Ų128.991%0.91178%0.777SS**  trans-145.8120.3141.7-152.377.5000110.1
100E26.3Very low28.4Very low136 Ų136133.4 Ų133.464%0.63679%0.79SS**  trans-67.4155.6-175.8-71.1158.2110.100114L102E100-L102 HydrophobicContact CB-CD1 4.46Å; E100-L102 HydrophobicContact CB-CG 4.25Å
101W26.4Very low28.3Very low243 Ų243133.1 Ų133.192%0.9280%0.797SS**  trans-113.799.8143.2-12277.8000108.7
102L27.4Very low28.2Very low120 Ų120134.8 Ų134.863%0.62880%0.797SS**  trans-76.1138.2168.8-79.8154.1000109.3E100E100-L102 HydrophobicContact CB-CD1 4.46Å; E100-L102 HydrophobicContact CB-CG 4.25Å
103C25.3Very low27.8Very low102 Ų102132.9 Ų132.969%0.68979%0.787SS**  trans-133.199143.2-91.50000109.2
104N27.8Very low27.8Very low158 Ų158134.2 Ų134.285%0.84579%0.791SS**SBendtrans67.6115145.9-65.6-11.4000121.8
105G27.4Very low27.8Very low80 Ų80135 Ų13583%0.82579%0.786SS**  122.380.6127.600000117.7
106D24.6Very low27.9Very low153 Ų153136.2 Ų136.282%0.81879%0.789SS**  trans-57.3176.9171.9-153.130000114.9
107P38.1Very low28.1Very low104 Ų104135.6 Ų135.668%0.67578%0.776SS**  cis-127.6158.5-22.412.811.9000115.2
108G28.3Very low28.3Very low70 Ų70136 Ų13672%0.72278%0.775SS**  trans50.5117139.400000121.4
109R28Very low28.8Very low243 Ų243135.2 Ų135.292%0.91778%0.776SS**  -177.9141.4115.1-100.8165173.5166-0.1113.6
110D25.9Very low28.8Very low143 Ų143130.3 Ų130.377%0.76577%0.768SS**  trans4.4139153.4-62.7-47.2000120.3D112D110-D112 PolarHBondContact O-N 2.89Å
111C33.4Very low29.1Very low119 Ų119131.9 Ų131.980%0.80478%0.775SS**  trans-29.5109.7155.947.30000114.5
112D27.3Very low29.2Very low146 Ų146129.1 Ų129.178%0.78177%0.773SS**  trans-158.6145.3131.1-131.3-28.4000113D110D110-D112 PolarHBondContact O-N 2.89Å
113S30Very low29.1Very low96 Ų96133.9 Ų133.967%0.67178%0.784SS**  trans5.8154.9156.8-560000122.6
114T26.7Very low29.3Very low141 Ų141137.8 Ų137.887%0.86579%0.792SS**  trans102.6125151.910.50000121
115N30.6Very low29.2Very low128 Ų128136.5 Ų136.568%0.68478%0.781SS**  trans-40.1135.6176.8-69.1-40.9000117.6
116T28.6Very low29.3Very low144 Ų144143.6 Ų143.688%0.88378%0.784SS**  -166.7138.611211.90000108.9
117A30.3Very low29.6Very low67 Ų67142.7 Ų142.755%0.55478%0.784SS**  trans-108.2153.9173.400000108.6
118P30.7Very low29.2Very low129 Ų129145.5 Ų145.584%0.83879%0.794SS**  trans-122137.7132.224.1-8.5000112.1
119V35.6Very low29.7Very low143 Ų143145.2 Ų145.287%0.86779%0.791SS**  trans-20.6130.1161.4-177.50000115.8
120G26.5Very low29.7Very low72 Ų72143.3 Ų143.374%0.74279%0.789SS**  trans-161.9111159.900000108.3
121E31.9Very low30.1Very low169 Ų169146.2 Ų146.279%0.7979%0.791SS**  trans-68.3128.2-177.9-61.1175.2128.700110.7
122E28Very low30Very low185 Ų185149.7 Ų149.786%0.86479%0.792SS**  trans-125.4115.2166.3-84.6-171149.100111.2Q124E122-Q124 PolarHBondContact O-N 3.33Å
123Y26.3Very low30.3Very low219 Ų219151.4 Ų151.486%0.85980%0.796SS**  trans-62.5120.8172.5-79.7-105.4000110.2Q125Y123-Q125 PolarHBondContact O-N 3.46Å
124Q29.5Very low30.4Very low185 Ų185154.7 Ų154.786%0.86480%0.8SS**  trans-78.7109175-92.2167.1-43.300111.5E122E122-Q124 PolarHBondContact O-N 3.33Å
125Q26.6Very low31Very low131 Ų131155 Ų15561%0.61279%0.794SS**  trans-71.8118.9171.1-164.8124.4-33.100110.7Y47 Y123 T127Y47-Q125 VanDerWaalsContact CZ-NE2 3.34Å; Y47-Q125 PolarHBondContact OH-NE2 3.17Å; Y123-Q125 PolarHBondContact O-N 3.46Å; Q125-T127 PolarHBondContact O-N 3.32Å
126Y28.4Very low32Very low229 Ų229157.4 Ų157.490%0.89879%0.793SS**  trans-69.7106.2175.8-74.1-93.4000111.1
127T31Very low33.1Very low133 Ų133160.3 Ų160.382%0.81679%0.788SS**  trans-92.5108.9166.936.30000110Q125Q125-T127 PolarHBondContact O-N 3.32Å
128N30.7Very low34.7Very low164 Ų164158.8 Ų158.888%0.87777%0.771SS**  trans-98.7135.4176.2-1616.4000110.5
129G37.7Very low36.3Very low64 Ų64157.2 Ų157.266%0.6676%0.755SS**SBendtrans93.967.1158.900000117.1
130K28.9Very low37.9Very low202 Ų202153 Ų15388%0.87873%0.731SS**  trans-177.134.5143.5-105.4176.5-171.3-1760113.7K132K130-K132 PolarHBondContact O-N 3.12Å
131Y33Very low40.5Very low205 Ų205151.3 Ų151.380%0.80470%0.703SS**  trans-76.985.8156.6-75.4-81.8000107.3Q133Y131-Q133 PolarHBondContact O-N 2.99Å
132K30.9Very low43Very low191 Ų191149.8 Ų149.883%0.8369%0.691SS**  trans-41.2111.2138.5-140.7179.8-172.4-179.50103.4K130 Q134K130-K132 PolarHBondContact O-N 3.12Å; K132-Q134 PolarHBondContact O-N 3.48Å
133Q34.4Very low45.8Very low182 Ų182148.2 Ų148.285%0.8568%0.678SS**  trans-63.678.7179-148.3176.1-1.400104.8Y131 M135Y131-Q133 PolarHBondContact O-N 2.99Å; Q133-M135 PolarHBondContact O-N 2.94Å
134Q31.8Very low48.8Very low165 Ų165138.2 Ų138.277%0.77164%0.639SS**  trans-65.597.1166.8-164161-1.200100.9K132 R136K132-Q134 PolarHBondContact O-N 3.48Å; Q134-R136 PolarHBondContact O-N 2.71Å
135M40.8Very low51.7Low148 Ų148130 Ų13073%0.72960%0.601SS**  trans-57.580.2167.3-162.9167.1125.900104.1Q133 R137Q133-M135 PolarHBondContact O-N 2.94Å; M135-R137 PolarHBondContact O-N 3.26Å; M135-R137 VanDerWaalsContact O-N 3.12Å
136R49.7Very low54.8Low178 Ų178128 Ų12867%0.67260%0.598SS**  trans-62119.3-175.5-127.5178.5177.6174.60.6103.1Q134 L138Q134-R136 PolarHBondContact O-N 2.71Å; R136-L138 PolarHBondContact O-N 3.25Å
137R53.1Low57.9Low205 Ų205120.8 Ų120.877%0.77457%0.574SS**  trans-42115.7177.2-98.2179.4175.6-175.2-0.6108.4M135 D139M135-R137 PolarHBondContact O-N 3.26Å; M135-R137 VanDerWaalsContact O-N 3.12Å; R137-D139 WeakPolarHBondContact CB-OD1 3.28Å; R137-D139 WeakPolarHBondContact CD-OD1 3.49Å; R137-D139 PolarHBondContact O-N 3.02Å
138L64.5Low60.9Low36 Ų36114.5 Ų114.519%0.18854%0.535CS..  trans-72.781.7162.4-74.1105.9000106R136 I220 V385 V389R136-L138 PolarHBondContact O-N 3.25Å; L138-I220 HydrophobicContact CB-CD1 3.8Å; L138-I220 HydrophobicContact CD2-CD1 3.56Å; L138-I220 HydrophobicContact CG-CD1 4.32Å; L138-V385 HydrophobicContact CD2-CG1 3.82Å; L138-V385 HydrophobicContact CD2-CG2 4.49Å; L138-V389 HydrophobicContact CD2-CG2 4.11Å
139D63.9Low63.9Low96 Ų96108.2 Ų108.251%0.51351%0.505SS..  trans-66.5126.3-179.9-75.1-38.3000108.8R137 E141R137-D139 WeakPolarHBondContact CB-OD1 3.28Å; R137-D139 WeakPolarHBondContact CD-OD1 3.49Å; R137-D139 PolarHBondContact O-N 3.02Å; D139-E141 PolarHBondContact O-N 3.15Å
140P67.7Low66.7Low54 Ų54109.5 Ų109.535%0.35150%0.499SS..  trans-70.1100.6-178.726.6-32.3000109.7Y142 S219P140-Y142 VanDerWaalsContact C-N 3.3Å; P140-Y142 HydrophobicContact CB-CD2 4.33Å; P140-Y142 HydrophobicContact CB-CE1 4.22Å; P140-Y142 HydrophobicContact CB-CE2 3.76Å; P140-Y142 HydrophobicContact CG-CE2 3.68Å; P140-Y142 WeakPolarHBondContact O-CD2 3.23Å; P140-Y142 PolarHBondContact O-N 2.9Å; P140-S219 VanDerWaalsContact CB-OG 3.31Å; P140-S219 WeakPolarHBondContact CB-OG 3.32Å
141E81.2Confident69.8Low36 Ų36102.5 Ų102.517%0.16847%0.468CS..  trans-77.881.2173.6-61.3-174.7118.100110.3D139 W143 K144 T145 R223 N384D139-E141 PolarHBondContact O-N 3.15Å; E141-W143 PolarHBondContact O-N 3.01Å; E141-K144 HydrophobicContact CB-CB 4.28Å; E141-K144 HydrophobicContact CB-CD 4.36Å; E141-K144 HydrophobicContact CB-CG 4.18Å; E141-K144 VanDerWaalsContact CD-NZ 3.34Å; E141-K144 PolarHBondContact O-N 3.47Å; E141-K144 WeakPolarHBondContact OE1-CE 3.46Å; E141-K144 IonicContact OE1-NZ 3.64Å; E141-K144 PolarHBondContact OE1-NZ 3.24Å; E141-K144 WeakPolarHBondContact OE2-CD 3.48Å; E141-K144 WeakPolarHBondContact OE2-CE 3.31Å; E141-K144 IonicContact OE2-NZ 3.92Å; E141-K144 PolarHBondContact OE2-NZ 3.37Å; E141-T145 PolarHBondContact O-N 2.92Å; E141-T145 PolarHBondContact O-OG1 3.23Å; E141-T145 VanDerWaalsContact O-OG1 3.1Å; E141-R223 IonicContact OE2-NH1 3.3Å; E141-N384 PolarHBondContact OE1-ND2 3.36Å
142Y85.1Confident72.8Confident138 Ų13893.4 Ų93.454%0.54143%0.433SS..Hα-helixtrans-58.1-36.6-177.6-66.1-74.1000112.6P140 K144 T145 V146P140-Y142 VanDerWaalsContact C-N 3.3Å; P140-Y142 HydrophobicContact CB-CD2 4.33Å; P140-Y142 HydrophobicContact CB-CE1 4.22Å; P140-Y142 HydrophobicContact CB-CE2 3.76Å; P140-Y142 HydrophobicContact CG-CE2 3.68Å; P140-Y142 WeakPolarHBondContact O-CD2 3.23Å; P140-Y142 PolarHBondContact O-N 2.9Å; Y142-K144 PolarHBondContact O-N 2.89Å; Y142-T145 WeakPolarHBondContact O-CA 3.32Å; Y142-T145 WeakPolarHBondContact O-CB 3.37Å; Y142-T145 PolarHBondContact O-N 3.35Å; Y142-T145 VanDerWaalsContact O-N 3.09Å; Y142-V146 WeakPolarHBondContact O-CG2 3.28Å; Y142-V146 PolarHBondContact O-N 3.45Å
143W86.6Confident75.8Confident151 Ų15187.7 Ų87.757%0.57241%0.414SS*.Hα-helixtrans-62-41179.687.4-93.4000112.6E141 T145 V146 L147 F380E141-W143 PolarHBondContact O-N 3.01Å; W143-T145 VanDerWaalsContact C-N 3.29Å; W143-T145 PolarHBondContact O-N 3.42Å; W143-V146 PolarHBondContact O-N 3.03Å; W143-L147 HydrophobicContact CZ3-CD2 4.1Å; W143-L147 PolarHBondContact O-N 3.17Å; W143-F380 HydrophobicContact CH2-CE1 4.36Å; W143-F380 AromaticContact CH2-CE2 3.86Å; W143-F380 HydrophobicContact CH2-CE2 3.86Å; W143-F380 AromaticContact CH2-CZ 3.31Å; W143-F380 HydrophobicContact CH2-CZ 3.31Å; W143-F380 HydrophobicContact CZ2-CE2 4.4Å; W143-F380 AromaticContact CZ2-CZ 3.97Å; W143-F380 HydrophobicContact CZ2-CZ 3.97Å; W143-F380 AromaticContact CZ3-CZ 3.89Å; W143-F380 HydrophobicContact CZ3-CZ 3.89Å
144K88.9Confident78.7Confident10 Ų1085.7 Ų85.74%0.04340%0.403CS..Hα-helixtrans-67.3-34175.3-65.2-165-168.9163.60111.6E141 Y142 L147 S148 F380 F381 N384E141-K144 HydrophobicContact CB-CB 4.28Å; E141-K144 HydrophobicContact CB-CD 4.36Å; E141-K144 HydrophobicContact CB-CG 4.18Å; E141-K144 VanDerWaalsContact CD-NZ 3.34Å; E141-K144 PolarHBondContact O-N 3.47Å; E141-K144 WeakPolarHBondContact OE1-CE 3.46Å; E141-K144 IonicContact OE1-NZ 3.64Å; E141-K144 PolarHBondContact OE1-NZ 3.24Å; E141-K144 WeakPolarHBondContact OE2-CD 3.48Å; E141-K144 WeakPolarHBondContact OE2-CE 3.31Å; E141-K144 IonicContact OE2-NZ 3.92Å; E141-K144 PolarHBondContact OE2-NZ 3.37Å; Y142-K144 PolarHBondContact O-N 2.89Å; K144-L147 PolarHBondContact O-N 3.38Å; K144-S148 WeakPolarHBondContact O-CB 3.46Å; K144-S148 PolarHBondContact O-N 2.84Å; K144-F380 HydrophobicContact CD-CE1 4.49Å; K144-F380 HydrophobicContact CG-CE1 4.45Å; K144-F380 PolarHBondContact NZ-O 3.22Å; K144-F381 HydrophobicContact CB-CD1 4.18Å; K144-F381 HydrophobicContact CB-CE1 4.47Å; K144-F381 WeakPolarHBondContact O-CE1 3.22Å; K144-N384 PolarHBondContact NZ-ND2 3.13Å
145T90.4Very high81.7Confident11 Ų1177.9 Ų77.97%0.06737%0.367CS..Hα-helixtrans-66.5-43.7175.7-49.40000110.6E141 Y142 W143 S148 S149 S219 L222 R223E141-T145 PolarHBondContact O-N 2.92Å; E141-T145 PolarHBondContact O-OG1 3.23Å; E141-T145 VanDerWaalsContact O-OG1 3.1Å; Y142-T145 WeakPolarHBondContact O-CA 3.32Å; Y142-T145 WeakPolarHBondContact O-CB 3.37Å; Y142-T145 PolarHBondContact O-N 3.35Å; Y142-T145 VanDerWaalsContact O-N 3.09Å; W143-T145 VanDerWaalsContact C-N 3.29Å; W143-T145 PolarHBondContact O-N 3.42Å; T145-S148 PolarHBondContact O-N 2.9Å; T145-S149 WeakPolarHBondContact O-CB 3.48Å; T145-S149 PolarHBondContact O-N 3.46Å; T145-S149 PolarHBondContact O-OG 2.96Å; T145-S219 WeakPolarHBondContact CG2-O 3.22Å; T145-S219 PolarHBondContact OG1-O 3.26Å; T145-L222 HydrophobicContact CG2-CB 4.21Å; T145-L222 HydrophobicContact CG2-CD2 3.98Å; T145-L222 HydrophobicContact CG2-CG 4.22Å; T145-R223 HydrophobicContact CG2-CB 4.34Å
146V92.8Very high84.2Confident90 Ų9073.8 Ų73.855%0.54535%0.345SS..Hα-helixtrans-61-47.2174.1172.20000110.4Y142 W143 S148 S149 V150Y142-V146 WeakPolarHBondContact O-CG2 3.28Å; Y142-V146 PolarHBondContact O-N 3.45Å; W143-V146 PolarHBondContact O-N 3.03Å; V146-S148 VanDerWaalsContact C-N 3.34Å; V146-S148 PolarHBondContact O-N 2.9Å; V146-S149 WeakPolarHBondContact O-CB 3.44Å; V146-S149 PolarHBondContact O-N 3.37Å; V146-S149 VanDerWaalsContact O-N 3.12Å; V146-V150 HydrophobicContact CG1-CG2 4.39Å; V146-V150 WeakPolarHBondContact O-CG2 3.47Å; V146-V150 PolarHBondContact O-N 2.75Å
147L93.6Very high86.3Confident78 Ų7866.1 Ų66.141%0.40832%0.321SS..Hα-helixtrans-59.9-44.1178.3-174.664.8000112.2W143 K144 S149 V150 Y151 F380W143-L147 HydrophobicContact CZ3-CD2 4.1Å; W143-L147 PolarHBondContact O-N 3.17Å; K144-L147 PolarHBondContact O-N 3.38Å; L147-S149 VanDerWaalsContact C-N 3.31Å; L147-S149 PolarHBondContact O-N 3.49Å; L147-V150 PolarHBondContact O-N 3.24Å; L147-Y151 WeakPolarHBondContact O-CB 3.28Å; L147-Y151 PolarHBondContact O-N 3Å; L147-F380 HydrophobicContact CD2-CE1 3.68Å; L147-F380 HydrophobicContact CD2-CZ 3.8Å
148S93.4Very high88.2Confident0 Ų060 Ų600%030%0.3CS..Hα-helixtrans-63.8-37.1175.6-167.50000112.4K144 T145 V146 Y151 V152 R223 C226 S227K144-S148 WeakPolarHBondContact O-CB 3.46Å; K144-S148 PolarHBondContact O-N 2.84Å; T145-S148 PolarHBondContact O-N 2.9Å; V146-S148 VanDerWaalsContact C-N 3.34Å; V146-S148 PolarHBondContact O-N 2.9Å; S148-Y151 WeakPolarHBondContact O-CB 3.31Å; S148-Y151 PolarHBondContact O-N 3.49Å; S148-V152 PolarHBondContact O-N 3.27Å; S148-R223 PolarHBondContact OG-O 2.83Å; S148-C226 WeakPolarHBondContact O-CB 3.4Å; S148-C226 VanDerWaalsContact OG-CB 3.31Å; S148-C226 WeakPolarHBondContact OG-CB 3Å; S148-S227 PolarHBondContact OG-N 3.27Å
149S94Very high89.5Confident33 Ų3358.7 Ų58.723%0.23129%0.294CS..Hα-helixtrans-66.7-44.3176.1-55.70000111.4T145 V146 L147 Y151 V152 V153T145-S149 WeakPolarHBondContact O-CB 3.48Å; T145-S149 PolarHBondContact O-N 3.46Å; T145-S149 PolarHBondContact O-OG 2.96Å; V146-S149 WeakPolarHBondContact O-CB 3.44Å; V146-S149 PolarHBondContact O-N 3.37Å; V146-S149 VanDerWaalsContact O-N 3.12Å; L147-S149 VanDerWaalsContact C-N 3.31Å; L147-S149 PolarHBondContact O-N 3.49Å; S149-Y151 VanDerWaalsContact C-N 3.29Å; S149-Y151 PolarHBondContact O-N 3.02Å; S149-V152 VanDerWaalsContact O-CG1 3.3Å; S149-V152 WeakPolarHBondContact O-CG1 3.46Å; S149-V152 PolarHBondContact O-N 3.25Å; S149-V153 WeakPolarHBondContact O-CB 3.39Å; S149-V153 WeakPolarHBondContact O-CG2 3.46Å; S149-V153 PolarHBondContact O-N 2.95Å
150V95.2Very high90.8Very high90 Ų9054.6 Ų54.655%0.54527%0.273SS..Hα-helixtrans-60.5-41.7174.2171.80000110.8V146 L147 V153 F154V146-V150 HydrophobicContact CG1-CG2 4.39Å; V146-V150 WeakPolarHBondContact O-CG2 3.47Å; V146-V150 PolarHBondContact O-N 2.75Å; L147-V150 PolarHBondContact O-N 3.24Å; V150-V153 PolarHBondContact O-N 3.25Å; V150-F154 WeakPolarHBondContact O-CB 3.5Å; V150-F154 PolarHBondContact O-N 3.25Å
151Y94.8Very high92Very high56 Ų5655 Ų5522%0.2227%0.269CS..Hα-helixtrans-58.3-51.8176.4169.3-111.4000112.2L147 S148 S149 V153 F154 V155 G230 M377L147-Y151 WeakPolarHBondContact O-CB 3.28Å; L147-Y151 PolarHBondContact O-N 3Å; S148-Y151 WeakPolarHBondContact O-CB 3.31Å; S148-Y151 PolarHBondContact O-N 3.49Å; S149-Y151 VanDerWaalsContact C-N 3.29Å; S149-Y151 PolarHBondContact O-N 3.02Å; Y151-V153 VanDerWaalsContact C-N 3.33Å; Y151-V153 PolarHBondContact O-N 2.83Å; Y151-F154 PolarHBondContact O-N 3.29Å; Y151-V155 HydrophobicContact CD2-CG2 4.04Å; Y151-V155 HydrophobicContact CE1-CG2 4.34Å; Y151-V155 HydrophobicContact CE2-CG2 3.58Å; Y151-V155 WeakPolarHBondContact O-CG2 3.38Å; Y151-V155 PolarHBondContact O-N 3.28Å; Y151-G230 PolarHBondContact OH-O 3.44Å; Y151-M377 HydrophobicContact CD1-CE 3.8Å; Y151-M377 HydrophobicContact CD2-CE 4.15Å; Y151-M377 HydrophobicContact CE1-CE 3.76Å; Y151-M377 HydrophobicContact CE2-CE 4.14Å; Y151-M377 HydrophobicContact CG-CE 3.98Å
152V95.1Very high92.4Very high13 Ų1353.6 Ų53.68%0.07926%0.263CS..Hα-helixtrans-66.5-36.2-179.173.70000112.1S148 S149 V155 F156 C226 M229S148-V152 PolarHBondContact O-N 3.27Å; S149-V152 VanDerWaalsContact O-CG1 3.3Å; S149-V152 WeakPolarHBondContact O-CG1 3.46Å; S149-V152 PolarHBondContact O-N 3.25Å; V152-V155 PolarHBondContact O-N 3.28Å; V152-F156 HydrophobicContact CG2-CD1 4.49Å; V152-F156 HydrophobicContact CG2-CD2 4.12Å; V152-F156 HydrophobicContact CG2-CE1 4.12Å; V152-F156 HydrophobicContact CG2-CE2 3.72Å; V152-F156 HydrophobicContact CG2-CZ 3.73Å; V152-F156 WeakPolarHBondContact O-CG 3.43Å; V152-F156 PolarHBondContact O-N 3.28Å; V152-C226 HydrophobicContact CB-CB 4.08Å; V152-C226 HydrophobicContact CG1-CB 3.78Å; V152-M229 HydrophobicContact CG2-CB 4.17Å; V152-M229 HydrophobicContact CG2-CG 4.25Å
153V94.5Very high92.6Very high71 Ų7147.7 Ų47.743%0.4324%0.24SC..Hα-helixtrans-61.9-46175.7170.50000110.6S149 V150 Y151 F156 G157 W273S149-V153 WeakPolarHBondContact O-CB 3.39Å; S149-V153 WeakPolarHBondContact O-CG2 3.46Å; S149-V153 PolarHBondContact O-N 2.95Å; V150-V153 PolarHBondContact O-N 3.25Å; Y151-V153 VanDerWaalsContact C-N 3.33Å; Y151-V153 PolarHBondContact O-N 2.83Å; V153-F156 PolarHBondContact O-N 2.61Å; V153-G157 PolarHBondContact O-N 3.47Å; V153-W273 HydrophobicContact CG1-CH2 4.4Å; V153-W273 HydrophobicContact CG1-CZ2 3.7Å
154F95Very high92.7Very high141 Ų14140.6 Ų40.662%0.61821%0.214SC*.Hα-helixtrans-60.6-45.4173.9175.2-95.7000111.6V150 Y151 F156 G157 F158V150-F154 WeakPolarHBondContact O-CB 3.5Å; V150-F154 PolarHBondContact O-N 3.25Å; Y151-F154 PolarHBondContact O-N 3.29Å; F154-F156 VanDerWaalsContact C-N 3.34Å; F154-F156 PolarHBondContact O-N 2.9Å; F154-G157 PolarHBondContact O-N 3.47Å; F154-F158 WeakPolarHBondContact O-CB 3.41Å; F154-F158 PolarHBondContact O-N 3.13Å
155V95.6Very high92.7Very high1 Ų141.3 Ų41.31%0.00622%0.218CC..Hα-helixtrans-62.2-40.1178.5171.40000111.7Y151 V152 F158 T159 F233 M234Y151-V155 HydrophobicContact CD2-CG2 4.04Å; Y151-V155 HydrophobicContact CE1-CG2 4.34Å; Y151-V155 HydrophobicContact CE2-CG2 3.58Å; Y151-V155 WeakPolarHBondContact O-CG2 3.38Å; Y151-V155 PolarHBondContact O-N 3.28Å; V152-V155 PolarHBondContact O-N 3.28Å; V155-F158 PolarHBondContact O-N 3.35Å; V155-T159 WeakPolarHBondContact O-CB 3.39Å; V155-T159 PolarHBondContact O-N 3.29Å; V155-T159 PolarHBondContact O-OG1 3.3Å; V155-F233 HydrophobicContact CG1-CB 3.63Å; V155-M234 HydrophobicContact CG1-CB 4.48Å; V155-M234 HydrophobicContact CG1-CG 4.48Å; V155-M234 HydrophobicContact CG2-CG 4.1Å
156F93.8Very high92.5Very high61 Ų6140.8 Ų40.827%0.26822%0.215SC..Hα-helixtrans-68.3-39.1176.4-70.9-24000112.9V152 V153 F154 T159 S160 M229 F233V152-F156 HydrophobicContact CG2-CD1 4.49Å; V152-F156 HydrophobicContact CG2-CD2 4.12Å; V152-F156 HydrophobicContact CG2-CE1 4.12Å; V152-F156 HydrophobicContact CG2-CE2 3.72Å; V152-F156 HydrophobicContact CG2-CZ 3.73Å; V152-F156 WeakPolarHBondContact O-CG 3.43Å; V152-F156 PolarHBondContact O-N 3.28Å; V153-F156 PolarHBondContact O-N 2.61Å; F154-F156 VanDerWaalsContact C-N 3.34Å; F154-F156 PolarHBondContact O-N 2.9Å; F156-T159 PolarHBondContact O-N 3.41Å; F156-S160 PolarHBondContact O-N 3.37Å; F156-S160 PolarHBondContact O-OG 3.4Å; F156-M229 HydrophobicContact CE1-CG 3.9Å; F156-M229 HydrophobicContact CZ-CG 3.53Å; F156-F233 HydrophobicContact CD1-CD1 4.23Å; F156-F233 HydrophobicContact CD1-CG 4.25Å; F156-F233 HydrophobicContact CE1-CB 4.41Å; F156-F233 HydrophobicContact CE1-CD1 4.08Å; F156-F233 AromaticContact CE1-CD2 3.85Å; F156-F233 HydrophobicContact CE1-CD2 3.85Å; F156-F233 HydrophobicContact CE1-CE1 4.29Å; F156-F233 HydrophobicContact CE1-CE2 4.09Å; F156-F233 AromaticContact CE1-CG 3.84Å; F156-F233 HydrophobicContact CE1-CG 3.84Å; F156-F233 HydrophobicContact CE1-CZ 4.29Å
157G92.9Very high92.2Very high17 Ų1737.8 Ų37.818%0.17520%0.195CC..Hα-helixtrans-61.3-45.9170.900000111.6V153 F154 T159 S160 F161V153-G157 PolarHBondContact O-N 3.47Å; F154-G157 PolarHBondContact O-N 3.47Å; G157-T159 PolarHBondContact O-N 2.87Å; G157-S160 PolarHBondContact O-N 2.93Å; G157-F161 PolarHBondContact O-N 3.4Å
158F93.6Very high91.7Very high77 Ų7736.5 Ų36.534%0.33819%0.187SC..Hα-helixtrans-62.7-41.1175.7-177-114.5000112.2F154 V155 S160 F161 V162 M234 C237F154-F158 WeakPolarHBondContact O-CB 3.41Å; F154-F158 PolarHBondContact O-N 3.13Å; V155-F158 PolarHBondContact O-N 3.35Å; F158-S160 VanDerWaalsContact C-N 3.35Å; F158-S160 PolarHBondContact O-N 2.97Å; F158-F161 WeakPolarHBondContact O-CB 3.27Å; F158-F161 PolarHBondContact O-N 3.49Å; F158-V162 HydrophobicContact CD1-CG2 4.18Å; F158-V162 HydrophobicContact CD2-CG2 4.34Å; F158-V162 HydrophobicContact CE1-CG2 3.76Å; F158-V162 HydrophobicContact CE2-CG2 3.93Å; F158-V162 HydrophobicContact CG-CG2 4.45Å; F158-V162 HydrophobicContact CZ-CG2 3.62Å; F158-V162 WeakPolarHBondContact O-CG2 3.21Å; F158-V162 PolarHBondContact O-N 2.94Å; F158-M234 HydrophobicContact CD1-SD 4.25Å; F158-M234 HydrophobicContact CE1-SD 4.06Å; F158-C237 HydrophobicContact CD1-CB 3.94Å; F158-C237 HydrophobicContact CE1-CB 3.67Å
159T92.3Very high91.3Very high8 Ų842.3 Ų42.35%0.04921%0.209CC..Hα-helixtrans-57.5-50.3174-55.30000109.8V155 F156 G157 F161 V162 M163 F233 C237V155-T159 WeakPolarHBondContact O-CB 3.39Å; V155-T159 PolarHBondContact O-N 3.29Å; V155-T159 PolarHBondContact O-OG1 3.3Å; F156-T159 PolarHBondContact O-N 3.41Å; G157-T159 PolarHBondContact O-N 2.87Å; T159-F161 VanDerWaalsContact C-N 3.25Å; T159-F161 PolarHBondContact O-N 3.38Å; T159-V162 PolarHBondContact O-N 3.22Å; T159-V162 VanDerWaalsContact O-N 3.11Å; T159-M163 HydrophobicContact CG2-CG 4.13Å; T159-M163 WeakPolarHBondContact O-CG 3.44Å; T159-M163 PolarHBondContact O-N 3.41Å; T159-F233 HydrophobicContact CG2-CD1 4.02Å; T159-F233 HydrophobicContact CG2-CE1 4.49Å; T159-C237 WeakPolarHBondContact CA-SG 3.43Å; T159-C237 PolarHBondContact OG1-SG 3.32Å
160S91.1Very high90.8Very high11 Ų1141.6 Ų41.68%0.07720%0.203CC..Hα-helixtrans-59.1-38.3-180-54.50000112F156 G157 F158 V164 A269 W273F156-S160 PolarHBondContact O-N 3.37Å; F156-S160 PolarHBondContact O-OG 3.4Å; G157-S160 PolarHBondContact O-N 2.93Å; F158-S160 VanDerWaalsContact C-N 3.35Å; F158-S160 PolarHBondContact O-N 2.97Å; S160-V164 WeakPolarHBondContact O-CG2 3.36Å; S160-V164 PolarHBondContact O-N 2.95Å; S160-A269 WeakPolarHBondContact CB-O 3.33Å; S160-W273 WeakPolarHBondContact OG-CA 3.3Å; S160-W273 WeakPolarHBondContact OG-CB 3.28Å
161F91.1Very high90.1Very high62 Ų6239.1 Ų39.127%0.27219%0.188SC..Hα-helixtrans-66.2-48173.1-179.9-102.6000112.7G157 F158 T159 M163 V164 I165 M262 A269G157-F161 PolarHBondContact O-N 3.4Å; F158-F161 WeakPolarHBondContact O-CB 3.27Å; F158-F161 PolarHBondContact O-N 3.49Å; T159-F161 VanDerWaalsContact C-N 3.25Å; T159-F161 PolarHBondContact O-N 3.38Å; F161-M163 VanDerWaalsContact C-N 3.27Å; F161-M163 PolarHBondContact O-N 3.28Å; F161-V164 WeakPolarHBondContact O-CB 3.32Å; F161-V164 PolarHBondContact O-N 3.47Å; F161-V164 VanDerWaalsContact O-N 3.13Å; F161-I165 HydrophobicContact CD1-CG1 4.33Å; F161-I165 HydrophobicContact CE1-CD1 4.39Å; F161-I165 HydrophobicContact CE1-CG1 3.92Å; F161-I165 HydrophobicContact CE2-CD1 4.42Å; F161-I165 HydrophobicContact CZ-CD1 4.01Å; F161-I165 HydrophobicContact CZ-CG1 4.03Å; F161-I165 PolarHBondContact O-N 2.87Å; F161-I165 VanDerWaalsContact O-N 3.14Å; F161-M262 HydrophobicContact CE2-SD 4.47Å; F161-M262 HydrophobicContact CZ-SD 4.49Å; F161-A269 HydrophobicContact CB-CB 4.24Å; F161-A269 HydrophobicContact CD2-CB 4.39Å
162V91.1Very high89.4Confident6 Ų641.1 Ų41.14%0.03620%0.203CC..Hα-helixtrans-60.1-38.3177.5171.20000111.2F158 T159 V164 I165 V166 C237 M240 F241F158-V162 HydrophobicContact CD1-CG2 4.18Å; F158-V162 HydrophobicContact CD2-CG2 4.34Å; F158-V162 HydrophobicContact CE1-CG2 3.76Å; F158-V162 HydrophobicContact CE2-CG2 3.93Å; F158-V162 HydrophobicContact CG-CG2 4.45Å; F158-V162 HydrophobicContact CZ-CG2 3.62Å; F158-V162 WeakPolarHBondContact O-CG2 3.21Å; F158-V162 PolarHBondContact O-N 2.94Å; T159-V162 PolarHBondContact O-N 3.22Å; T159-V162 VanDerWaalsContact O-N 3.11Å; V162-V164 VanDerWaalsContact C-N 3.31Å; V162-V164 PolarHBondContact O-N 2.88Å; V162-I165 PolarHBondContact O-N 3.35Å; V162-I165 VanDerWaalsContact O-N 3.15Å; V162-V166 HydrophobicContact CG1-CG2 3.91Å; V162-V166 WeakPolarHBondContact O-CB 3.42Å; V162-V166 VanDerWaalsContact O-CG2 3.29Å; V162-V166 WeakPolarHBondContact O-CG2 3.43Å; V162-V166 PolarHBondContact O-N 3.42Å; V162-C237 HydrophobicContact CG2-CB 4.25Å; V162-M240 HydrophobicContact CG1-CE 4.36Å; V162-F241 HydrophobicContact CG1-CB 4.31Å
163M88.7Confident88.7Confident14 Ų1443.2 Ų43.27%0.06921%0.213CC..Hα-helixtrans-60.1-40.1176.4-62.9-83-73.300111.6T159 F161 H167 M240 T285 D288T159-M163 HydrophobicContact CG2-CG 4.13Å; T159-M163 WeakPolarHBondContact O-CG 3.44Å; T159-M163 PolarHBondContact O-N 3.41Å; F161-M163 VanDerWaalsContact C-N 3.27Å; F161-M163 PolarHBondContact O-N 3.28Å; M163-H167 VanDerWaalsContact O-CB 3.22Å; M163-H167 WeakPolarHBondContact O-CB 3.46Å; M163-H167 PolarHBondContact O-N 3.04Å; M163-M240 HydrophobicContact CG-CE 4.37Å; M163-M240 HydrophobicContact SD-CE 3.64Å; M163-M240 HydrophobicContact SD-SD 3.87Å; M163-T285 WeakPolarHBondContact CE-OG1 3.46Å; M163-D288 HydrophobicContact CE-CB 3.37Å; M163-D288 WeakPolarHBondContact CE-OD2 3.43Å; M163-D288 HydrophobicContact SD-CB 3.27Å; M163-D288 WeakPolarHBondContact SD-CB 3.3Å
164V88.4Confident88Confident3 Ų350.9 Ų50.92%0.01823%0.234CC..Hα-helixtrans-64.5-43.4174.21760000111.3S160 F161 V162 H167 E168 K265 R268 A269 I272S160-V164 WeakPolarHBondContact O-CG2 3.36Å; S160-V164 PolarHBondContact O-N 2.95Å; F161-V164 WeakPolarHBondContact O-CB 3.32Å; F161-V164 PolarHBondContact O-N 3.47Å; F161-V164 VanDerWaalsContact O-N 3.13Å; V162-V164 VanDerWaalsContact C-N 3.31Å; V162-V164 PolarHBondContact O-N 2.88Å; V164-H167 WeakPolarHBondContact O-CB 3.49Å; V164-H167 PolarHBondContact O-N 3.21Å; V164-E168 PolarHBondContact O-N 3.15Å; V164-K265 HydrophobicContact CG1-CB 3.96Å; V164-K265 HydrophobicContact CG1-CG 4.14Å; V164-R268 HydrophobicContact CG2-CB 4.26Å; V164-R268 HydrophobicContact CG2-CG 4.06Å; V164-A269 HydrophobicContact CG2-CB 4.08Å; V164-I272 HydrophobicContact CG2-CD1 3.49Å; V164-I272 VanDerWaalsContact CG2-CD1 3.49Å
165I88.4Confident87.6Confident24 Ų2448.6 Ų48.612%0.12323%0.232CC..Hα-helixtrans-65.7-44.4179.4-62.1-58.8000111.4F161 V162 H167 E168 R169 F241 K265F161-I165 HydrophobicContact CD1-CG1 4.33Å; F161-I165 HydrophobicContact CE1-CD1 4.39Å; F161-I165 HydrophobicContact CE1-CG1 3.92Å; F161-I165 HydrophobicContact CE2-CD1 4.42Å; F161-I165 HydrophobicContact CZ-CD1 4.01Å; F161-I165 HydrophobicContact CZ-CG1 4.03Å; F161-I165 PolarHBondContact O-N 2.87Å; F161-I165 VanDerWaalsContact O-N 3.14Å; V162-I165 PolarHBondContact O-N 3.35Å; V162-I165 VanDerWaalsContact O-N 3.15Å; I165-H167 VanDerWaalsContact C-N 3.31Å; I165-E168 PolarHBondContact O-N 2.94Å; I165-R169 PolarHBondContact O-N 3.31Å; I165-F241 HydrophobicContact CG2-CE2 4.33Å; I165-K265 HydrophobicContact CD1-CD 4.23Å
166V87.8Confident87Confident1 Ų155.2 Ų55.21%0.00626%0.257CS..Hα-helixtrans-67.7-35.6-179.9173.30000110.6V162 E168 R169 V170 M240 G287V162-V166 HydrophobicContact CG1-CG2 3.91Å; V162-V166 WeakPolarHBondContact O-CB 3.42Å; V162-V166 VanDerWaalsContact O-CG2 3.29Å; V162-V166 WeakPolarHBondContact O-CG2 3.43Å; V162-V166 PolarHBondContact O-N 3.42Å; V166-E168 VanDerWaalsContact C-N 3.29Å; V166-E168 PolarHBondContact O-N 3.02Å; V166-R169 CarbonylContact O-C 3.53Å; V166-R169 WeakPolarHBondContact O-CA 3.49Å; V166-R169 PolarHBondContact O-N 3.28Å; V166-V170 WeakPolarHBondContact O-CG2 3.27Å; V166-V170 PolarHBondContact O-N 2.86Å; V166-V170 VanDerWaalsContact O-N 3.09Å; V166-M240 HydrophobicContact CG2-CB 4.2Å; V166-M240 WeakPolarHBondContact CG2-O 3.42Å; V166-G287 WeakPolarHBondContact CG1-O 3.19Å
167H85.9Confident86.6Confident27 Ų2756.6 Ų56.613%0.12527%0.272CS..Hα-helixtrans-56.3-39.3173.8-176.673000113.5M163 V164 I165 R169 V170 C286M163-H167 VanDerWaalsContact O-CB 3.22Å; M163-H167 WeakPolarHBondContact O-CB 3.46Å; M163-H167 PolarHBondContact O-N 3.04Å; V164-H167 WeakPolarHBondContact O-CB 3.49Å; V164-H167 PolarHBondContact O-N 3.21Å; I165-H167 VanDerWaalsContact C-N 3.31Å; H167-R169 VanDerWaalsContact C-N 3.33Å; H167-V170 WeakPolarHBondContact O-CG2 3.45Å; H167-V170 PolarHBondContact O-N 2.79Å; H167-C286 WeakPolarHBondContact CA-O 3.47Å; H167-C286 WeakPolarHBondContact CB-O 3.47Å; H167-C286 VanDerWaalsContact ND1-CB 3.28Å; H167-C286 WeakPolarHBondContact ND1-CB 3.31Å; H167-C286 PolarHBondContact ND1-N 2.87Å; H167-C286 PolarHBondContact ND1-O 3.04Å
168E83.9Confident86.3Confident51 Ų5158.3 Ų58.324%0.23828%0.28CS..Hα-helixtrans-74.1-24.5175.7-67.3179.9170.100113.5V164 I165 V166 V170 Y259 K265V164-E168 PolarHBondContact O-N 3.15Å; I165-E168 PolarHBondContact O-N 2.94Å; V166-E168 VanDerWaalsContact C-N 3.29Å; V166-E168 PolarHBondContact O-N 3.02Å; E168-V170 VanDerWaalsContact C-N 3.34Å; E168-Y259 WeakPolarHBondContact OE1-CB 3.35Å; E168-K265 VanDerWaalsContact CD-NZ 3.29Å; E168-K265 WeakPolarHBondContact OE1-CE 3.24Å; E168-K265 IonicContact OE1-NZ 2.65Å; E168-K265 PolarHBondContact OE1-NZ 3.39Å; E168-K265 VanDerWaalsContact OE1-NZ 3.13Å; E168-K265 WeakPolarHBondContact OE2-CE 3.38Å; E168-K265 IonicContact OE2-NZ 2.73Å; E168-K265 PolarHBondContact OE2-NZ 3.4Å
169R83.9Confident86.1Confident122 Ų12258.7 Ų58.746%0.4629%0.286SS..Hα-helixtrans-87.7-3.7177.6-68.2-169.3-173.6140.71.7113.6I165 V166 H167 P171 F241I165-R169 PolarHBondContact O-N 3.31Å; V166-R169 CarbonylContact O-C 3.53Å; V166-R169 WeakPolarHBondContact O-CA 3.49Å; V166-R169 PolarHBondContact O-N 3.28Å; H167-R169 VanDerWaalsContact C-N 3.33Å; R169-P171 WeakPolarHBondContact O-CD 3.4Å; R169-F241 VanDerWaalsContact NH1-CD2 3.27Å
170V82.9Confident85.9Confident18 Ų1864 Ų6411%0.10932%0.32CS..PPolyproline II helixtrans-56.1125.6177.7172.90000109.3V166 H167 E168 V247 C286V166-V170 WeakPolarHBondContact O-CG2 3.27Å; V166-V170 PolarHBondContact O-N 2.86Å; V166-V170 VanDerWaalsContact O-N 3.09Å; H167-V170 WeakPolarHBondContact O-CG2 3.45Å; H167-V170 PolarHBondContact O-N 2.79Å; E168-V170 VanDerWaalsContact C-N 3.34Å; V170-V247 HydrophobicContact CG1-CG2 3.63Å; V170-C286 HydrophobicContact CG2-CB 4.28Å
171P81.1Confident86Confident37 Ų3763.9 Ų63.924%0.2432%0.319CS..PPolyproline II helixtrans-58.1145176.1-23.132.6000111.7R169 M173 Y176R169-P171 WeakPolarHBondContact O-CD 3.4Å; P171-M173 PolarHBondContact O-N 3.28Å; P171-Y176 HydrophobicContact CB-CD2 3.52Å; P171-Y176 HydrophobicContact CB-CE2 4.23Å; P171-Y176 HydrophobicContact CB-CG 3.9Å
172D80.7Confident86Confident98 Ų9867.8 Ų67.852%0.52434%0.341SS..PPolyproline II helixtrans-60.8124.9177-171.3-8.2000110.5R174 T175 Y176D172-R174 PolarHBondContact O-N 2.92Å; D172-R174 VanDerWaalsContact O-N 3.15Å; D172-R174 PolarHBondContact OD1-N 2.85Å; D172-T175 PolarHBondContact O-N 3.1Å; D172-Y176 PolarHBondContact O-N 2.82Å
173M80.3Confident86Confident57 Ų5770.2 Ų70.228%0.28135%0.351SS..THydrogen-bonded Turntrans-60.6-24.2-177.1-62.5171.27500112.7P171 V247 G249P171-M173 PolarHBondContact O-N 3.28Å; M173-V247 HydrophobicContact CE-CB 4.05Å; M173-V247 HydrophobicContact CE-CG1 3.89Å; M173-V247 HydrophobicContact CG-CB 4.17Å; M173-V247 HydrophobicContact CG-CG2 3.94Å; M173-V247 HydrophobicContact SD-CB 4.3Å; M173-V247 HydrophobicContact SD-CG1 4.44Å; M173-V247 HydrophobicContact SD-CG2 4.12Å; M173-G249 WeakPolarHBondContact CE-O 3.43Å
174R80.3Confident85.9Confident233 Ų23370.5 Ų70.588%0.87935%0.353SS*.THydrogen-bonded Turntrans-72.7-34.9176.6-67.3-176.2175.9179.10112.8D172D172-R174 PolarHBondContact O-N 2.92Å; D172-R174 VanDerWaalsContact O-N 3.15Å; D172-R174 PolarHBondContact OD1-N 2.85Å
175T85.1Confident85.9Confident93 Ų9376.2 Ų76.257%0.57138%0.383SS*.THydrogen-bonded Turntrans-90.1-35.1-176.8-52.50000111D172D172-T175 PolarHBondContact O-N 3.1Å
176Y83.8Confident86Confident139 Ų13979.4 Ų79.455%0.54541%0.408SS..SBendtrans-123.497.3-175.9-60.6-81.3000110.1P171 D172P171-Y176 HydrophobicContact CB-CD2 3.52Å; P171-Y176 HydrophobicContact CB-CE2 4.23Å; P171-Y176 HydrophobicContact CB-CG 3.9Å; D172-Y176 PolarHBondContact O-N 2.82Å
177P84.9Confident86.2Confident90 Ų9081 Ų8158%0.58442%0.418SS*.PPolyproline II helixtrans-67.1168.6177.328.3-34.1000112.2S246P177-S246 PolarHBondContact O-OG 3.3Å
178P87.2Confident86.4Confident53 Ų5384.7 Ų84.734%0.34444%0.444SS..PPolyproline II helixtrans-55.6145.2172.6-21.531.6000111.6V247P178-V247 WeakPolarHBondContact CG-O 3.3Å
179L88.9Confident86.7Confident86 Ų8687.3 Ų87.345%0.4545%0.451SS..PPolyproline II helixtrans-69.7147174-83.671000110.1D181 S246 Y338L179-D181 PolarHBondContact O-N 3.46Å; L179-S246 WeakPolarHBondContact CD1-OG 3.39Å; L179-Y338 HydrophobicContact CB-CE1 3.96Å; L179-Y338 PolarHBondContact N-OH 3.39Å; L179-Y338 VanDerWaalsContact N-OH 3.16Å
180P89.3Confident87.1Confident118 Ų11883.5 Ų83.577%0.76644%0.44SS*.PPolyproline II helixtrans-63.8128.2176.527.1-33.9000110.1
181D91.3Very high87.4Confident10 Ų1087.1 Ų87.15%0.05346%0.463CS..  trans-142.7113.2-177-175.7-31.2000109.5L179 F183 L184 D185 Y338 S339L179-D181 PolarHBondContact O-N 3.46Å; D181-F183 PolarHBondContact O-N 3.24Å; D181-F183 VanDerWaalsContact O-N 3.09Å; D181-F183 PolarHBondContact OD1-N 2.86Å; D181-L184 HydrophobicContact CB-CB 4.05Å; D181-L184 HydrophobicContact CB-CD1 3.74Å; D181-L184 HydrophobicContact CB-CG 4.08Å; D181-L184 PolarHBondContact O-N 3.18Å; D181-D185 WeakPolarHBondContact O-CB 3.36Å; D181-D185 VanDerWaalsContact O-CG 3.23Å; D181-D185 PolarHBondContact O-N 3.33Å; D181-Y338 HydrophobicContact CB-CD1 4.21Å; D181-S339 WeakPolarHBondContact OD1-CB 3.27Å; D181-S339 PolarHBondContact OD1-OG 3.19Å; D181-S339 WeakPolarHBondContact OD2-CB 3.39Å; D181-S339 PolarHBondContact OD2-N 2.95Å; D181-S339 PolarHBondContact OD2-OG 2.76Å
182I91.8Very high87.9Confident144 Ų14492.5 Ų92.574%0.73848%0.479SS*.Hα-helixtrans-53.6-38.3-173.1-60.4171.6000111.7S186I182-S186 VanDerWaalsContact O-CB 3.24Å; I182-S186 WeakPolarHBondContact O-CB 3.31Å; I182-S186 PolarHBondContact O-N 3.49Å; I182-S186 VanDerWaalsContact O-N 3.11Å; I182-S186 PolarHBondContact O-OG 3.01Å
183F91.1Very high88.5Confident56 Ų5687.8 Ų87.825%0.24645%0.454CS..Hα-helixtrans-71.8-46.8-178.6-172.8-81.9000111.2D181 D185 S186 V187 F329 L332D181-F183 PolarHBondContact O-N 3.24Å; D181-F183 VanDerWaalsContact O-N 3.09Å; D181-F183 PolarHBondContact OD1-N 2.86Å; F183-D185 PolarHBondContact O-N 2.93Å; F183-S186 PolarHBondContact O-N 3.46Å; F183-S186 VanDerWaalsContact O-N 3.16Å; F183-V187 HydrophobicContact CD1-CB 4.38Å; F183-V187 HydrophobicContact CD1-CG2 4.26Å; F183-V187 HydrophobicContact CD2-CG2 4.39Å; F183-V187 HydrophobicContact CE1-CB 3.94Å; F183-V187 HydrophobicContact CE1-CG1 4.24Å; F183-V187 HydrophobicContact CE1-CG2 3.83Å; F183-V187 HydrophobicContact CE2-CG2 4.01Å; F183-V187 HydrophobicContact CZ-CB 4.28Å; F183-V187 HydrophobicContact CZ-CG1 4.45Å; F183-V187 HydrophobicContact CZ-CG2 3.72Å; F183-V187 PolarHBondContact O-N 3.07Å; F183-F329 HydrophobicContact CZ-CD2 4.41Å; F183-F329 HydrophobicContact CZ-CE2 4.33Å; F183-L332 HydrophobicContact CD1-CB 3.79Å; F183-L332 HydrophobicContact CD1-CD1 4.47Å; F183-L332 HydrophobicContact CD2-CD1 4.43Å; F183-L332 HydrophobicContact CE1-CB 3.35Å; F183-L332 HydrophobicContact CE1-CD1 4.34Å; F183-L332 HydrophobicContact CE1-CG 4.4Å; F183-L332 HydrophobicContact CE2-CD1 4.26Å; F183-L332 HydrophobicContact CZ-CB 3.81Å; F183-L332 HydrophobicContact CZ-CD1 4.2Å
184L87.8Confident89Confident20 Ų2086.2 Ų86.211%0.10545%0.445CS..Hα-helixtrans-65.1-30.7179.4-65.7169.9000111.7D181 P248 H335 Y338D181-L184 HydrophobicContact CB-CB 4.05Å; D181-L184 HydrophobicContact CB-CD1 3.74Å; D181-L184 HydrophobicContact CB-CG 4.08Å; D181-L184 PolarHBondContact O-N 3.18Å; L184-P248 HydrophobicContact CD1-CB 4.21Å; L184-H335 HydrophobicContact CD2-CB 3.69Å; L184-H335 PolarHBondContact O-CE1 3.04Å; L184-Y338 HydrophobicContact CD1-CD1 3.78Å; L184-Y338 HydrophobicContact CD1-CE1 4.27Å
185D88.3Confident89.6Confident124 Ų12476.8 Ų76.866%0.66342%0.417SS*.Hα-helixtrans-76.2-28.9175.8-65.1-27.6000112.4D181 F183D181-D185 WeakPolarHBondContact O-CB 3.36Å; D181-D185 VanDerWaalsContact O-CG 3.23Å; D181-D185 PolarHBondContact O-N 3.33Å; F183-D185 PolarHBondContact O-N 2.93Å
186S90.9Very high90.1Very high90 Ų9076.2 Ų76.263%0.62941%0.409SS*.Hα-helixtrans-92-27.6-174.8-59.10000114I182 F183I182-S186 VanDerWaalsContact O-CB 3.24Å; I182-S186 WeakPolarHBondContact O-CB 3.31Å; I182-S186 PolarHBondContact O-N 3.49Å; I182-S186 VanDerWaalsContact O-N 3.11Å; I182-S186 PolarHBondContact O-OG 3.01Å; F183-S186 PolarHBondContact O-N 3.46Å; F183-S186 VanDerWaalsContact O-N 3.16Å
187V90.4Very high90.6Very high36 Ų3669.8 Ų69.822%0.21839%0.385CS..SBendtrans-109.4129.9-174.51790000109.5F183 H335F183-V187 HydrophobicContact CD1-CB 4.38Å; F183-V187 HydrophobicContact CD1-CG2 4.26Å; F183-V187 HydrophobicContact CD2-CG2 4.39Å; F183-V187 HydrophobicContact CE1-CB 3.94Å; F183-V187 HydrophobicContact CE1-CG1 4.24Å; F183-V187 HydrophobicContact CE1-CG2 3.83Å; F183-V187 HydrophobicContact CE2-CG2 4.01Å; F183-V187 HydrophobicContact CZ-CB 4.28Å; F183-V187 HydrophobicContact CZ-CG1 4.45Å; F183-V187 HydrophobicContact CZ-CG2 3.72Å; F183-V187 PolarHBondContact O-N 3.07Å; V187-H335 PolarHBondContact O-CE1 2.93Å; V187-H335 PolarHBondContact O-NE2 3.24Å
188P90.4Very high91Very high103 Ų10365.8 Ų65.867%0.66936%0.358SS*.  trans-71.3142.4174.329.2-33.9000110.7I190P188-I190 PolarHBondContact O-N 3.17Å
189R90.9Very high91.4Very high106 Ų10664.8 Ų64.840%0.436%0.355SS..  trans-60.7133178.8-178.2-176.6172.7-134.3-1.6112H251 A334 H335R189-H251 PolarHBondContact NE-CD2 3.37Å; R189-H251 PolarHBondContact NE-CE1 3.32Å; R189-H251 PolarHBondContact NE-ND1 3.27Å; R189-H251 PolarHBondContact NE-NE2 3.21Å; R189-H251 VanDerWaalsContact NH1-CG 3.26Å; R189-H251 PolarHBondContact NH2-CD2 2.96Å; R189-H251 PolarHBondContact NH2-NE2 3.13Å; R189-A334 PolarHBondContact NE-O 2.95Å; R189-H335 HydrophobicContact CG-CB 4.22Å
190I92.7Very high91.8Very high43 Ų4361.3 Ų61.322%0.22134%0.338CS..  trans-111.7108.8173.6-57180000109.2P188 W192 A193 A333P188-I190 PolarHBondContact O-N 3.17Å; I190-W192 VanDerWaalsContact C-N 3.33Å; I190-W192 HydrophobicContact CG2-CD2 3.56Å; I190-W192 HydrophobicContact CG2-CE3 4.14Å; I190-W192 HydrophobicContact CG2-CG 3.96Å; I190-W192 HydrophobicContact CG2-CH2 4.11Å; I190-W192 HydrophobicContact CG2-CZ2 3.53Å; I190-W192 HydrophobicContact CG2-CZ3 4.38Å; I190-W192 PolarHBondContact O-N 2.92Å; I190-A193 HydrophobicContact CB-CB 3.87Å; I190-A193 HydrophobicContact CG2-CB 3.88Å; I190-A193 WeakPolarHBondContact O-CB 3.43Å; I190-A193 PolarHBondContact O-N 2.88Å; I190-A333 HydrophobicContact CB-CB 4.49Å; I190-A333 HydrophobicContact CD1-CB 4.21Å; I190-A333 HydrophobicContact CG1-CB 4.47Å; I190-A333 PolarHBondContact N-O 3.39Å
191P88.6Confident92.1Very high93 Ų9356.3 Ų56.360%0.60431%0.307SS*.THydrogen-bonded Turntrans-69-27.1-170.226.4-34.8000114.2
192W90.9Very high92.3Very high150 Ų15058.7 Ų58.757%0.56832%0.322SS*.THydrogen-bonded Turntrans-86.8-8.717854.8-101.1000113.4I190 F194 A195 M196 F330I190-W192 VanDerWaalsContact C-N 3.33Å; I190-W192 HydrophobicContact CG2-CD2 3.56Å; I190-W192 HydrophobicContact CG2-CE3 4.14Å; I190-W192 HydrophobicContact CG2-CG 3.96Å; I190-W192 HydrophobicContact CG2-CH2 4.11Å; I190-W192 HydrophobicContact CG2-CZ2 3.53Å; I190-W192 HydrophobicContact CG2-CZ3 4.38Å; I190-W192 PolarHBondContact O-N 2.92Å; W192-F194 VanDerWaalsContact C-N 3.33Å; W192-F194 PolarHBondContact O-N 3.43Å; W192-A195 PolarHBondContact O-N 2.98Å; W192-M196 HydrophobicContact CE3-CB 4.44Å; W192-M196 HydrophobicContact CE3-CG 3.55Å; W192-M196 HydrophobicContact CZ3-CG 3.81Å; W192-M196 PolarHBondContact O-N 3.04Å; W192-F330 HydrophobicContact CH2-CE1 4.33Å; W192-F330 HydrophobicContact CZ3-CD1 4.44Å; W192-F330 AromaticContact CZ3-CE1 3.95Å; W192-F330 HydrophobicContact CZ3-CE1 3.95Å; W192-F330 HydrophobicContact CZ3-CZ 4.46Å
193A93.8Very high92.5Very high0 Ų055.7 Ų55.70%031%0.307CS..Hα-helixtrans-62.9-40.8-173.900000111.6I190 A195 M196 A197 F330 A333 A334I190-A193 HydrophobicContact CB-CB 3.87Å; I190-A193 HydrophobicContact CG2-CB 3.88Å; I190-A193 WeakPolarHBondContact O-CB 3.43Å; I190-A193 PolarHBondContact O-N 2.88Å; A193-A195 VanDerWaalsContact C-N 3.34Å; A193-A195 PolarHBondContact O-N 3.25Å; A193-M196 CarbonylContact O-C 3.58Å; A193-M196 WeakPolarHBondContact O-CA 3.49Å; A193-M196 WeakPolarHBondContact O-CB 3.29Å; A193-M196 PolarHBondContact O-N 3.46Å; A193-A197 PolarHBondContact O-N 2.85Å; A193-F330 HydrophobicContact CB-CB 4.21Å; A193-F330 HydrophobicContact CB-CD1 4.11Å; A193-F330 WeakPolarHBondContact CB-O 3.46Å; A193-F330 WeakPolarHBondContact O-CB 3.5Å; A193-A333 HydrophobicContact CB-CB 4.1Å; A193-A334 HydrophobicContact CB-CB 4.24Å
194F91.6Very high92.8Very high23 Ų2353 Ų5310%0.10130%0.295CS..Hα-helixtrans-60.9-42.2-178.9-159.1-111.7000112.8W192 M196 A197 E198 S279 H294 A334 E336W192-F194 VanDerWaalsContact C-N 3.33Å; W192-F194 PolarHBondContact O-N 3.43Å; F194-M196 VanDerWaalsContact C-N 3.28Å; F194-M196 PolarHBondContact O-N 3.47Å; F194-A197 WeakPolarHBondContact O-CB 3.29Å; F194-A197 PolarHBondContact O-N 3.29Å; F194-A197 VanDerWaalsContact O-N 3.14Å; F194-E198 HydrophobicContact CE1-CG 4.48Å; F194-E198 WeakPolarHBondContact CE1-OE1 3.5Å; F194-E198 PolarHBondContact O-N 3.42Å; F194-S279 WeakPolarHBondContact CD1-OG 3.43Å; F194-S279 VanDerWaalsContact CE1-OG 3.3Å; F194-S279 WeakPolarHBondContact CE1-OG 3.39Å; F194-H294 AromaticContact CZ-CE1 3.63Å; F194-H294 AromaticContact CZ-ND1 3.79Å; F194-A334 HydrophobicContact CB-CB 3.63Å; F194-A334 HydrophobicContact CD2-CB 4.03Å; F194-A334 HydrophobicContact CG-CB 4.27Å; F194-E336 HydrophobicContact CB-CG 4.38Å; F194-E336 HydrophobicContact CD2-CB 3.97Å; F194-E336 HydrophobicContact CD2-CG 3.72Å; F194-E336 HydrophobicContact CE2-CB 3.93Å; F194-E336 HydrophobicContact CE2-CG 4.12Å; F194-E336 HydrophobicContact CG-CG 3.98Å
195A92.3Very high93.2Very high35 Ų3554.3 Ų54.329%0.28931%0.305SS..Hα-helixtrans-62.3-35.2174.800000112.2W192 A193 A199W192-A195 PolarHBondContact O-N 2.98Å; A193-A195 VanDerWaalsContact C-N 3.34Å; A193-A195 PolarHBondContact O-N 3.25Å; A195-A199 WeakPolarHBondContact O-CB 3.41Å; A195-A199 PolarHBondContact O-N 2.83Å
196M94.6Very high93.6Very high82 Ų8252.7 Ų52.740%0.40430%0.296SS..Hα-helixtrans-70.6-36174.1-65.8-60.998.200112.4W192 A193 F194 E198 A199 C200 F330W192-M196 HydrophobicContact CE3-CB 4.44Å; W192-M196 HydrophobicContact CE3-CG 3.55Å; W192-M196 HydrophobicContact CZ3-CG 3.81Å; W192-M196 PolarHBondContact O-N 3.04Å; A193-M196 CarbonylContact O-C 3.58Å; A193-M196 WeakPolarHBondContact O-CA 3.49Å; A193-M196 WeakPolarHBondContact O-CB 3.29Å; A193-M196 PolarHBondContact O-N 3.46Å; F194-M196 VanDerWaalsContact C-N 3.28Å; F194-M196 PolarHBondContact O-N 3.47Å; M196-E198 VanDerWaalsContact C-N 3.35Å; M196-A199 WeakPolarHBondContact O-CB 3.46Å; M196-A199 PolarHBondContact O-N 3.5Å; M196-C200 PolarHBondContact O-N 2.93Å; M196-C200 PolarHBondContact O-SG 3.28Å; M196-F330 HydrophobicContact CB-CD2 3.76Å; M196-F330 HydrophobicContact CB-CE2 3.88Å; M196-F330 HydrophobicContact CB-CG 4.18Å; M196-F330 HydrophobicContact CB-CZ 4.39Å
197A94.8Very high93.8Very high3 Ų349.8 Ų49.83%0.02527%0.274CS..Hα-helixtrans-60.8-44.9172.900000111.6A193 F194 C200 G201 F330 I331A193-A197 PolarHBondContact O-N 2.85Å; F194-A197 WeakPolarHBondContact O-CB 3.29Å; F194-A197 PolarHBondContact O-N 3.29Å; F194-A197 VanDerWaalsContact O-N 3.14Å; A197-C200 WeakPolarHBondContact O-CB 3.37Å; A197-C200 PolarHBondContact O-N 3.47Å; A197-G201 PolarHBondContact O-N 2.97Å; A197-F330 HydrophobicContact CB-CB 3.78Å; A197-I331 HydrophobicContact CB-CG1 3.76Å
198E94.1Very high94.1Very high6 Ų648.1 Ų48.13%0.02826%0.263CS..Hα-helixtrans-64-40.7175.1-68.6-175.7178.100111.7F194 M196 C200 G201 V202 S279 L280 H294F194-E198 HydrophobicContact CE1-CG 4.48Å; F194-E198 WeakPolarHBondContact CE1-OE1 3.5Å; F194-E198 PolarHBondContact O-N 3.42Å; M196-E198 VanDerWaalsContact C-N 3.35Å; E198-C200 PolarHBondContact O-N 3.36Å; E198-G201 WeakPolarHBondContact O-CA 3.21Å; E198-G201 PolarHBondContact O-N 3.35Å; E198-G201 VanDerWaalsContact O-N 3.1Å; E198-V202 WeakPolarHBondContact O-CG2 3.34Å; E198-V202 PolarHBondContact O-N 3.21Å; E198-S279 WeakPolarHBondContact OE1-CA 3.44Å; E198-S279 VanDerWaalsContact OE1-CB 3.28Å; E198-S279 WeakPolarHBondContact OE1-CB 3.35Å; E198-S279 PolarHBondContact OE1-N 2.99Å; E198-S279 PolarHBondContact OE1-OG 3.18Å; E198-S279 PolarHBondContact OE2-N 2.95Å; E198-S279 PolarHBondContact OE2-OG 3.34Å; E198-L280 HydrophobicContact CB-CD1 3.63Å; E198-L280 HydrophobicContact CB-CG 4.38Å; E198-L280 VanDerWaalsContact OE2-CB 3.26Å; E198-L280 WeakPolarHBondContact OE2-CB 3.41Å; E198-L280 VanDerWaalsContact OE2-CD1 3.28Å; E198-L280 WeakPolarHBondContact OE2-CD1 3.45Å; E198-L280 WeakPolarHBondContact OE2-CG 3.46Å; E198-L280 PolarHBondContact OE2-N 3.11Å; E198-H294 IonicContact OE1-NE2 3.63Å
199A95Very high94.3Very high33 Ų3347.1 Ų47.127%0.27325%0.252SS..Hα-helixtrans-59.4-43.7173.700000112A195 M196 G201 V202 I203A195-A199 WeakPolarHBondContact O-CB 3.41Å; A195-A199 PolarHBondContact O-N 2.83Å; M196-A199 WeakPolarHBondContact O-CB 3.46Å; M196-A199 PolarHBondContact O-N 3.5Å; A199-G201 VanDerWaalsContact C-N 3.3Å; A199-G201 PolarHBondContact O-N 3.2Å; A199-V202 PolarHBondContact O-N 2.57Å; A199-I203 VanDerWaalsContact O-CG1 3.24Å; A199-I203 WeakPolarHBondContact O-CG1 3.31Å; A199-I203 PolarHBondContact O-N 3.14Å
200C96.8Very high94.4Very high13 Ų1347 Ų479%0.08826%0.259CS..Hα-helixtrans-58.4-42.3173.1-67.80000111.8M196 A197 E198 I203 L204 L298 L323M196-C200 PolarHBondContact O-N 2.93Å; M196-C200 PolarHBondContact O-SG 3.28Å; A197-C200 WeakPolarHBondContact O-CB 3.37Å; A197-C200 PolarHBondContact O-N 3.47Å; E198-C200 PolarHBondContact O-N 3.36Å; C200-I203 PolarHBondContact O-N 3.39Å; C200-L204 WeakPolarHBondContact O-CB 3.21Å; C200-L204 PolarHBondContact O-N 3.29Å; C200-L298 HydrophobicContact CB-CD2 4.23Å; C200-L323 HydrophobicContact CB-CD2 4.17Å
201G95.7Very high94.4Very high13 Ų1345.2 Ų45.213%0.13425%0.25CC..Hα-helixtrans-62.8-44.5176.400000113.1A197 E198 A199 L204 C205 L298A197-G201 PolarHBondContact O-N 2.97Å; E198-G201 WeakPolarHBondContact O-CA 3.21Å; E198-G201 PolarHBondContact O-N 3.35Å; E198-G201 VanDerWaalsContact O-N 3.1Å; A199-G201 VanDerWaalsContact C-N 3.3Å; A199-G201 PolarHBondContact O-N 3.2Å; G201-L204 PolarHBondContact O-N 2.9Å; G201-C205 VanDerWaalsContact O-CB 3.29Å; G201-C205 WeakPolarHBondContact O-CB 3.47Å; G201-C205 PolarHBondContact O-N 3.44Å; G201-L298 VanDerWaalsContact CA-CD2 3.47Å
202V95.8Very high94.6Very high60 Ų6041.8 Ų41.836%0.36423%0.226SC..Hα-helixtrans-63.5-42.5176.1172.10000110.9E198 A199 C205 N206 M278E198-V202 WeakPolarHBondContact O-CG2 3.34Å; E198-V202 PolarHBondContact O-N 3.21Å; A199-V202 PolarHBondContact O-N 2.57Å; V202-C205 WeakPolarHBondContact O-CB 3.31Å; V202-C205 PolarHBondContact O-N 3.28Å; V202-N206 WeakPolarHBondContact CG1-ND2 3.49Å; V202-N206 PolarHBondContact O-N 3.14Å; V202-N206 PolarHBondContact O-ND2 2.96Å; V202-M278 HydrophobicContact CG2-SD 4.19Å
203I96.4Very high94.6Very high80 Ų8038.6 Ų38.641%0.4122%0.22SC..Hα-helixtrans-61.9-48.7176.7-66.3163.3000110.6A199 C200 C205 N206 I207 L323A199-I203 VanDerWaalsContact O-CG1 3.24Å; A199-I203 WeakPolarHBondContact O-CG1 3.31Å; A199-I203 PolarHBondContact O-N 3.14Å; C200-I203 PolarHBondContact O-N 3.39Å; I203-C205 VanDerWaalsContact C-N 3.3Å; I203-C205 PolarHBondContact O-N 3.03Å; I203-N206 PolarHBondContact O-N 3.1Å; I203-I207 HydrophobicContact CG2-CD1 4.02Å; I203-I207 WeakPolarHBondContact O-CG1 3.45Å; I203-I207 PolarHBondContact O-N 3.47Å; I203-L323 HydrophobicContact CB-CD1 4.23Å; I203-L323 HydrophobicContact CG2-CD1 3.58Å
204L97.1Very high94.4Very high0 Ų040.1 Ų40.10%023%0.228CC..Hα-helixtrans-59.3-40.6175.9-84171000112.3C200 G201 I207 W208 L298 L301 L323C200-L204 WeakPolarHBondContact O-CB 3.21Å; C200-L204 PolarHBondContact O-N 3.29Å; G201-L204 PolarHBondContact O-N 2.9Å; L204-I207 PolarHBondContact O-N 2.92Å; L204-W208 WeakPolarHBondContact O-CB 3.37Å; L204-W208 PolarHBondContact O-N 2.94Å; L204-L298 HydrophobicContact CD1-CD2 3.77Å; L204-L301 HydrophobicContact CB-CB 4.12Å; L204-L301 HydrophobicContact CB-CD1 4.11Å; L204-L323 HydrophobicContact CD1-CB 3.91Å; L204-L323 HydrophobicContact CD2-CB 4.28Å; L204-L323 HydrophobicContact CD2-CD1 4.16Å; L204-L323 HydrophobicContact CG-CB 3.9Å; L204-L323 HydrophobicContact CG-CD1 3.96Å
205C96.3Very high94.3Very high48 Ų4839.2 Ų39.232%0.32422%0.224SC..Hα-helixtrans-62.3-44.4176.7-172.90000111.2G201 V202 I203 W208 L209 L301G201-C205 VanDerWaalsContact O-CB 3.29Å; G201-C205 WeakPolarHBondContact O-CB 3.47Å; G201-C205 PolarHBondContact O-N 3.44Å; V202-C205 WeakPolarHBondContact O-CB 3.31Å; V202-C205 PolarHBondContact O-N 3.28Å; I203-C205 VanDerWaalsContact C-N 3.3Å; I203-C205 PolarHBondContact O-N 3.03Å; C205-W208 PolarHBondContact O-N 3.29Å; C205-L209 WeakPolarHBondContact O-CB 3.32Å; C205-L209 VanDerWaalsContact O-CG 3.29Å; C205-L209 WeakPolarHBondContact O-CG 3.22Å; C205-L209 PolarHBondContact O-N 3.02Å; C205-L301 HydrophobicContact CB-CD1 3.97Å
206N96.1Very high93.9Very high89 Ų8942.4 Ų42.448%0.47623%0.231SC..Hα-helixtrans-62.7-44.3175.8-80.5-78000112.2V202 I203 W208 L209 L210V202-N206 WeakPolarHBondContact CG1-ND2 3.49Å; V202-N206 PolarHBondContact O-N 3.14Å; V202-N206 PolarHBondContact O-ND2 2.96Å; I203-N206 PolarHBondContact O-N 3.1Å; N206-W208 VanDerWaalsContact C-N 3.31Å; N206-W208 PolarHBondContact O-N 2.97Å; N206-L209 PolarHBondContact O-N 3.46Å; N206-L210 VanDerWaalsContact O-CG 3.32Å; N206-L210 WeakPolarHBondContact O-CG 3.43Å; N206-L210 PolarHBondContact O-N 3.39Å
207I95.6Very high93.6Very high29 Ų2939.8 Ų39.815%0.14922%0.218CC..Hα-helixtrans-58.2-47175-66.2166.9000110.1I203 L204 L210 V211 V305 I316 L319 L323I203-I207 HydrophobicContact CG2-CD1 4.02Å; I203-I207 WeakPolarHBondContact O-CG1 3.45Å; I203-I207 PolarHBondContact O-N 3.47Å; L204-I207 PolarHBondContact O-N 2.92Å; I207-L210 WeakPolarHBondContact O-CB 3.37Å; I207-L210 PolarHBondContact O-N 3.47Å; I207-V211 WeakPolarHBondContact O-CG2 3.1Å; I207-V211 PolarHBondContact O-N 3.48Å; I207-V305 HydrophobicContact CG2-CG1 4.06Å; I207-V305 HydrophobicContact CG2-CG2 4.04Å; I207-I316 HydrophobicContact CG2-CG2 4.15Å; I207-L319 HydrophobicContact CD1-CD2 3.99Å; I207-L323 HydrophobicContact CD1-CD1 4.25Å
208W96.1Very high93.4Very high2 Ų245.2 Ų45.21%0.00824%0.238CC..Hα-helixtrans-62.9-43.7178.3172.6-112.6000112.9L204 C205 N206 L210 V211 L212 L221 M225 L301 F304 V305 Y308L204-W208 WeakPolarHBondContact O-CB 3.37Å; L204-W208 PolarHBondContact O-N 2.94Å; C205-W208 PolarHBondContact O-N 3.29Å; N206-W208 VanDerWaalsContact C-N 3.31Å; N206-W208 PolarHBondContact O-N 2.97Å; W208-L210 VanDerWaalsContact C-N 3.29Å; W208-L210 PolarHBondContact O-N 3.01Å; W208-V211 HydrophobicContact CE3-CB 4.26Å; W208-V211 HydrophobicContact CE3-CG1 4.14Å; W208-V211 HydrophobicContact CZ3-CG1 3.95Å; W208-V211 WeakPolarHBondContact O-CB 3.35Å; W208-V211 PolarHBondContact O-N 2.87Å; W208-L212 HydrophobicContact CH2-CD1 4.46Å; W208-L212 HydrophobicContact CZ2-CD1 3.85Å; W208-L212 WeakPolarHBondContact O-CB 3.26Å; W208-L212 PolarHBondContact O-N 3.41Å; W208-L221 HydrophobicContact CH2-CB 4.15Å; W208-L221 HydrophobicContact CH2-CD2 4.03Å; W208-L221 HydrophobicContact CH2-CG 4.28Å; W208-L221 HydrophobicContact CZ2-CB 4.43Å; W208-M225 HydrophobicContact CG-CE 4.36Å; W208-M225 HydrophobicContact CZ2-CB 4.36Å; W208-M225 HydrophobicContact CZ2-CG 4.48Å; W208-M225 HydrophobicContact CZ2-SD 4.38Å; W208-M225 PolarHBondContact NE1-SD 2.85Å; W208-L301 HydrophobicContact CB-CD2 3.75Å; W208-L301 HydrophobicContact CG-CD2 3.82Å; W208-F304 HydrophobicContact CD2-CB 4.15Å; W208-F304 HydrophobicContact CE3-CB 3.78Å; W208-F304 HydrophobicContact CH2-CB 3.84Å; W208-F304 AromaticContact CH2-CD1 3.44Å; W208-F304 HydrophobicContact CH2-CD1 3.44Å; W208-F304 VanDerWaalsContact CH2-CD1 3.44Å; W208-F304 HydrophobicContact CH2-CE1 4.39Å; W208-F304 HydrophobicContact CH2-CG 4.02Å; W208-F304 HydrophobicContact CZ2-CB 4.17Å; W208-F304 AromaticContact CZ2-CD1 3.72Å; W208-F304 HydrophobicContact CZ2-CD1 3.72Å; W208-F304 HydrophobicContact CZ2-CE1 4.48Å; W208-F304 HydrophobicContact CZ2-CG 4.17Å; W208-F304 HydrophobicContact CZ3-CB 3.63Å; W208-F304 HydrophobicContact CZ3-CD1 4.09Å; W208-F304 HydrophobicContact CZ3-CG 4.33Å; W208-F304 WeakPolarHBondContact CZ3-O 3.33Å; W208-V305 HydrophobicContact CB-CG2 3.99Å; W208-V305 HydrophobicContact CE3-CG2 4.17Å; W208-Y308 AromaticContact CH2-CD2 3.86Å; W208-Y308 HydrophobicContact CH2-CD2 3.86Å; W208-Y308 HydrophobicContact CH2-CG 4.43Å; W208-Y308 HydrophobicContact CZ3-CD2 4.04Å; W208-Y308 HydrophobicContact CZ3-CG 4.46Å
209L95.1Very high93.1Very high81 Ų8145.3 Ų45.342%0.42424%0.239SC..Hα-helixtrans-60-40.6176.1-72.1173.5000111.2C205 N206 L212 L213C205-L209 WeakPolarHBondContact O-CB 3.32Å; C205-L209 VanDerWaalsContact O-CG 3.29Å; C205-L209 WeakPolarHBondContact O-CG 3.22Å; C205-L209 PolarHBondContact O-N 3.02Å; N206-L209 PolarHBondContact O-N 3.46Å; L209-L212 PolarHBondContact O-N 3.24Å; L209-L213 WeakPolarHBondContact O-CB 3.42Å; L209-L213 WeakPolarHBondContact O-CG 3.28Å; L209-L213 PolarHBondContact O-N 3.06Å
210L93.2Very high92.9Very high104 Ų10443.8 Ų43.855%0.54523%0.227SC..Hα-helixtrans-62.8-45.4174.1-69.4170.6000111.7N206 I207 W208 L212 L213 L214N206-L210 VanDerWaalsContact O-CG 3.32Å; N206-L210 WeakPolarHBondContact O-CG 3.43Å; N206-L210 PolarHBondContact O-N 3.39Å; I207-L210 WeakPolarHBondContact O-CB 3.37Å; I207-L210 PolarHBondContact O-N 3.47Å; W208-L210 VanDerWaalsContact C-N 3.29Å; W208-L210 PolarHBondContact O-N 3.01Å; L210-L212 PolarHBondContact O-N 3.5Å; L210-L213 PolarHBondContact O-N 2.85Å; L210-L214 WeakPolarHBondContact O-CB 3.32Å; L210-L214 VanDerWaalsContact O-CG 3.28Å; L210-L214 WeakPolarHBondContact O-CG 3.42Å; L210-L214 PolarHBondContact O-N 2.75Å
211V92.9Very high92.7Very high5 Ų543.2 Ų43.23%0.0322%0.222CC..Hα-helixtrans-57.4-49.5174.2168.70000110.5I207 W208 L213 L214 H215 T309 Y393I207-V211 WeakPolarHBondContact O-CG2 3.1Å; I207-V211 PolarHBondContact O-N 3.48Å; W208-V211 HydrophobicContact CE3-CB 4.26Å; W208-V211 HydrophobicContact CE3-CG1 4.14Å; W208-V211 HydrophobicContact CZ3-CG1 3.95Å; W208-V211 WeakPolarHBondContact O-CB 3.35Å; W208-V211 PolarHBondContact O-N 2.87Å; V211-L213 VanDerWaalsContact C-N 3.33Å; V211-L213 PolarHBondContact O-N 2.93Å; V211-L214 PolarHBondContact O-N 3.15Å; V211-H215 VanDerWaalsContact O-CB 3.28Å; V211-H215 WeakPolarHBondContact O-CB 3.29Å; V211-H215 PolarHBondContact O-N 3.36Å; V211-T309 HydrophobicContact CB-CG2 4.49Å; V211-T309 HydrophobicContact CG1-CG2 4.08Å; V211-T309 HydrophobicContact CG2-CG2 3.52Å; V211-Y393 HydrophobicContact CG1-CE1 4.39Å
212L92.7Very high92.5Very high21 Ų2145.1 Ų45.111%0.1123%0.229CC..Hα-helixtrans-59.1-42.4179.2-168.586.2000112.1W208 L209 L210 R218 L221 L222W208-L212 HydrophobicContact CH2-CD1 4.46Å; W208-L212 HydrophobicContact CZ2-CD1 3.85Å; W208-L212 WeakPolarHBondContact O-CB 3.26Å; W208-L212 PolarHBondContact O-N 3.41Å; L209-L212 PolarHBondContact O-N 3.24Å; L210-L212 PolarHBondContact O-N 3.5Å; L212-R218 HydrophobicContact CG-CB 4.47Å; L212-R218 WeakPolarHBondContact O-CB 3.09Å; L212-L221 HydrophobicContact CD1-CB 3.8Å; L212-L222 HydrophobicContact CD1-CB 4.08Å; L212-L222 HydrophobicContact CD2-CD1 4.17Å
213L90.6Very high92.4Very high83 Ų8342.3 Ų42.344%0.43521%0.212SC..Hα-helixtrans-65.9-39.2179.7-74.8172.6000112.3L209 L210 V211 P396L209-L213 WeakPolarHBondContact O-CB 3.42Å; L209-L213 WeakPolarHBondContact O-CG 3.28Å; L209-L213 PolarHBondContact O-N 3.06Å; L210-L213 PolarHBondContact O-N 2.85Å; V211-L213 VanDerWaalsContact C-N 3.33Å; V211-L213 PolarHBondContact O-N 2.93Å; L213-P396 WeakPolarHBondContact O-CG 3.45Å
214L89.4Confident92.3Very high32 Ų3238.5 Ų38.517%0.16819%0.193CC..Hα-helixtrans-86-15.9-177.8-61.2177.3000113.2L210 V211 Y393 C394 W395 I407L210-L214 WeakPolarHBondContact O-CB 3.32Å; L210-L214 VanDerWaalsContact O-CG 3.28Å; L210-L214 WeakPolarHBondContact O-CG 3.42Å; L210-L214 PolarHBondContact O-N 2.75Å; V211-L214 PolarHBondContact O-N 3.15Å; L214-Y393 HydrophobicContact CB-CD1 3.75Å; L214-Y393 HydrophobicContact CB-CE1 4.31Å; L214-Y393 CarbonylContact O-C 3.59Å; L214-Y393 VanDerWaalsContact O-CA 3.31Å; L214-Y393 WeakPolarHBondContact O-CA 3.07Å; L214-C394 PolarHBondContact O-N 3.01Å; L214-C394 VanDerWaalsContact O-O 3.04Å; L214-W395 HydrophobicContact CD2-CE3 3.61Å; L214-W395 HydrophobicContact CD2-CZ3 3.81Å; L214-I407 HydrophobicContact CD1-CD1 4.37Å; L214-I407 HydrophobicContact CD2-CD1 4.11Å
215H89.2Confident92.1Very high4 Ų440 Ų402%0.01920%0.2CC..BIsolated β-bridgetrans-77133.3-177.9-159.7-86.9000111.8V211 H217 R218 L221 P390 Y393V211-H215 VanDerWaalsContact O-CB 3.28Å; V211-H215 WeakPolarHBondContact O-CB 3.29Å; V211-H215 PolarHBondContact O-N 3.36Å; H215-H217 VanDerWaalsContact C-N 3.31Å; H215-H217 PolarHBondContact ND1-N 3.41Å; H215-H217 VanDerWaalsContact ND1-N 3.17Å; H215-H217 PolarHBondContact O-N 3.3Å; H215-R218 PolarHBondContact O-N 3.33Å; H215-L221 HydrophobicContact CB-CD2 3.88Å; H215-L221 VanDerWaalsContact CG-CD2 3.5Å; H215-P390 PolarHBondContact CE1-O 3.23Å; H215-P390 PolarHBondContact NE2-O 3.47Å; H215-Y393 AromaticContact CD2-CZ 3.94Å
216K85.4Confident92.1Very high103 Ų10338.2 Ų38.245%0.44819%0.188SC..THydrogen-bonded Turntrans-60.6-39.2-179.4-171.5-175.2-170.5-177.60112.6R218 E392 C394K216-R218 PolarHBondContact O-N 3.34Å; K216-E392 HydrophobicContact CB-CB 4.16Å; K216-E392 VanDerWaalsContact CB-O 3.3Å; K216-E392 WeakPolarHBondContact CB-O 3.48Å; K216-E392 HydrophobicContact CD-CB 4.04Å; K216-E392 WeakPolarHBondContact CD-OE2 3.48Å; K216-E392 PolarHBondContact N-O 3.2Å; K216-E392 IonicContact NZ-OE2 3.18Å; K216-E392 PolarHBondContact NZ-OE2 3.16Å; K216-C394 HydrophobicContact CB-CB 4.44Å
217H87.6Confident91.9Very high27 Ų2734.1 Ų34.113%0.12517%0.166CC..THydrogen-bonded Turntrans-95.834.3-178.9-61.7-71.1000114.1H215 S219 I220 L221 V389H215-H217 VanDerWaalsContact C-N 3.31Å; H215-H217 PolarHBondContact ND1-N 3.41Å; H215-H217 VanDerWaalsContact ND1-N 3.17Å; H215-H217 PolarHBondContact O-N 3.3Å; H217-S219 VanDerWaalsContact C-N 3.25Å; H217-S219 PolarHBondContact O-N 2.8Å; H217-S219 VanDerWaalsContact O-N 3.07Å; H217-I220 HydrophobicContact CB-CD1 4.36Å; H217-I220 PolarHBondContact O-N 2.94Å; H217-L221 HydrophobicContact CB-CD1 4.37Å; H217-L221 WeakPolarHBondContact O-CD1 3.28Å; H217-L221 PolarHBondContact O-N 3.42Å; H217-V389 HydrophobicContact CB-CG1 3.88Å
218R89.7Confident91.9Very high117 Ų11733.1 Ų33.144%0.44216%0.161SC..Hα-helixtrans-48.7-36-174.263.4-171.8178.7-174.20.8116.2L212 H215 K216 I220 L221 L222L212-R218 HydrophobicContact CG-CB 4.47Å; L212-R218 WeakPolarHBondContact O-CB 3.09Å; H215-R218 PolarHBondContact O-N 3.33Å; K216-R218 PolarHBondContact O-N 3.34Å; R218-I220 PolarHBondContact O-N 2.94Å; R218-L221 PolarHBondContact O-N 3.28Å; R218-L222 WeakPolarHBondContact O-CB 3.31Å; R218-L222 PolarHBondContact O-N 2.97Å
219S88.6Confident91.8Very high8 Ų833.5 Ų33.56%0.05616%0.163CC..Hα-helixtrans-65.3-38.9179.3530000112.5P140 T145 H217 R223P140-S219 VanDerWaalsContact CB-OG 3.31Å; P140-S219 WeakPolarHBondContact CB-OG 3.32Å; T145-S219 WeakPolarHBondContact CG2-O 3.22Å; T145-S219 PolarHBondContact OG1-O 3.26Å; H217-S219 VanDerWaalsContact C-N 3.25Å; H217-S219 PolarHBondContact O-N 2.8Å; H217-S219 VanDerWaalsContact O-N 3.07Å; S219-R223 VanDerWaalsContact O-CB 3.29Å; S219-R223 WeakPolarHBondContact O-CB 3.18Å; S219-R223 PolarHBondContact O-N 3.36Å
220I90.3Very high91.8Very high1 Ų129.7 Ų29.71%0.00514%0.143CC..Hα-helixtrans-69.3-44.9178.9-59.5177000109.8L138 H217 R218 R223 R224 V385 V389L138-I220 HydrophobicContact CB-CD1 3.8Å; L138-I220 HydrophobicContact CD2-CD1 3.56Å; L138-I220 HydrophobicContact CG-CD1 4.32Å; H217-I220 HydrophobicContact CB-CD1 4.36Å; H217-I220 PolarHBondContact O-N 2.94Å; R218-I220 PolarHBondContact O-N 2.94Å; I220-R223 PolarHBondContact O-N 2.86Å; I220-R224 VanDerWaalsContact O-CG 3.29Å; I220-R224 WeakPolarHBondContact O-CG 3.28Å; I220-R224 PolarHBondContact O-N 3Å; I220-V385 HydrophobicContact CD1-CG2 4.05Å; I220-V385 HydrophobicContact CG1-CG2 4.48Å; I220-V385 HydrophobicContact CG2-CG2 4.3Å; I220-V389 HydrophobicContact CG2-CG2 3.99Å
221L92.6Very high91.8Very high0 Ų027.3 Ų27.30%013%0.133CC..Hα-helixtrans-60.5-47.6176.9-84.961.7000111.1W208 L212 H215 H217 R218 R223 R224 M225 Y308 V389W208-L221 HydrophobicContact CH2-CB 4.15Å; W208-L221 HydrophobicContact CH2-CD2 4.03Å; W208-L221 HydrophobicContact CH2-CG 4.28Å; W208-L221 HydrophobicContact CZ2-CB 4.43Å; L212-L221 HydrophobicContact CD1-CB 3.8Å; H215-L221 HydrophobicContact CB-CD2 3.88Å; H215-L221 VanDerWaalsContact CG-CD2 3.5Å; H217-L221 HydrophobicContact CB-CD1 4.37Å; H217-L221 WeakPolarHBondContact O-CD1 3.28Å; H217-L221 PolarHBondContact O-N 3.42Å; R218-L221 PolarHBondContact O-N 3.28Å; L221-R223 PolarHBondContact O-N 3.23Å; L221-R224 PolarHBondContact O-N 2.93Å; L221-M225 WeakPolarHBondContact O-CB 3.26Å; L221-M225 PolarHBondContact O-N 3.23Å; L221-Y308 HydrophobicContact CD1-CD1 3.69Å; L221-Y308 HydrophobicContact CD1-CE1 3.59Å; L221-Y308 HydrophobicContact CD1-CG 4.4Å; L221-Y308 HydrophobicContact CD2-CD1 3.73Å; L221-Y308 HydrophobicContact CD2-CD2 4.29Å; L221-Y308 HydrophobicContact CD2-CE1 4.36Å; L221-Y308 HydrophobicContact CD2-CG 3.66Å; L221-Y308 HydrophobicContact CG-CD1 3.55Å; L221-Y308 HydrophobicContact CG-CD2 4.1Å; L221-Y308 HydrophobicContact CG-CE1 3.66Å; L221-Y308 HydrophobicContact CG-CE2 4.22Å; L221-Y308 HydrophobicContact CG-CG 3.76Å; L221-V389 HydrophobicContact CD1-CG1 4.06Å
222L92.5Very high91.9Very high53 Ų5327.1 Ų27.128%0.27713%0.132SC..Hα-helixtrans-60.2-46.3178-176.461000111.1T145 L212 R218 R224 M225 C226T145-L222 HydrophobicContact CG2-CB 4.21Å; T145-L222 HydrophobicContact CG2-CD2 3.98Å; T145-L222 HydrophobicContact CG2-CG 4.22Å; L212-L222 HydrophobicContact CD1-CB 4.08Å; L212-L222 HydrophobicContact CD2-CD1 4.17Å; R218-L222 WeakPolarHBondContact O-CB 3.31Å; R218-L222 PolarHBondContact O-N 2.97Å; L222-R224 PolarHBondContact O-N 2.75Å; L222-M225 PolarHBondContact O-N 3.46Å; L222-C226 WeakPolarHBondContact O-CB 3.19Å; L222-C226 PolarHBondContact O-N 3.47Å; L222-C226 PolarHBondContact O-SG 2.97Å
223R92.8Very high92Very high1 Ų126.8 Ų26.80%0.00413%0.13CC..Hα-helixtrans-58.5-44.6177.1-176.6-176.170.1-167.85.6112.2E141 T145 S148 S219 I220 L221 S227 F381 E382E141-R223 IonicContact OE2-NH1 3.3Å; T145-R223 HydrophobicContact CG2-CB 4.34Å; S148-R223 PolarHBondContact OG-O 2.83Å; S219-R223 VanDerWaalsContact O-CB 3.29Å; S219-R223 WeakPolarHBondContact O-CB 3.18Å; S219-R223 PolarHBondContact O-N 3.36Å; I220-R223 PolarHBondContact O-N 2.86Å; L221-R223 PolarHBondContact O-N 3.23Å; R223-S227 VanDerWaalsContact O-CB 3.31Å; R223-S227 WeakPolarHBondContact O-CB 3.43Å; R223-S227 PolarHBondContact O-N 2.73Å; R223-F381 HydrophobicContact CG-CB 4.38Å; R223-F381 HydrophobicContact CG-CD1 3.91Å; R223-F381 HydrophobicContact CG-CE1 4.47Å; R223-F381 HydrophobicContact CG-CG 4.22Å; R223-F381 PolarHBondContact NE-O 3.06Å; R223-F381 PolarHBondContact NH1-O 2.94Å; R223-F381 PolarHBondContact NH2-O 3.42Å; R223-E382 IonicContact CZ-OE1 2.72Å; R223-E382 IonicContact NE-OE1 3.54Å; R223-E382 IonicContact NH2-OE1 3.34Å; R223-E382 PolarHBondContact NH2-OE1 3.15Å
224R93.8Very high92.2Very high1 Ų126.2 Ų26.20%0.00413%0.126CC..Hα-helixtrans-63.9-43.9177.8-70-179169.8-173.45.6111.2I220 L221 L222 S227 L228 F304 Y308 Y356 E382I220-R224 VanDerWaalsContact O-CG 3.29Å; I220-R224 WeakPolarHBondContact O-CG 3.28Å; I220-R224 PolarHBondContact O-N 3Å; L221-R224 PolarHBondContact O-N 2.93Å; L222-R224 PolarHBondContact O-N 2.75Å; R224-S227 PolarHBondContact O-N 3.35Å; R224-L228 WeakPolarHBondContact O-CB 3.29Å; R224-L228 PolarHBondContact O-N 3.18Å; R224-F304 HydrophobicContact CB-CE1 4.16Å; R224-F304 HydrophobicContact CB-CZ 4.3Å; R224-Y308 WeakPolarHBondContact CD-OH 3.27Å; R224-Y308 PolarHBondContact NH1-OH 3.02Å; R224-Y356 HydrophobicContact CB-CE1 4.05Å; R224-Y356 HydrophobicContact CG-CE1 3.73Å; R224-Y356 WeakPolarHBondContact CG-OH 3.05Å; R224-E382 IonicContact CZ-OE2 2.76Å; R224-E382 IonicContact NE-OE1 3.99Å; R224-E382 PolarHBondContact NE-OE1 2.9Å; R224-E382 VanDerWaalsContact NE-OE1 3.15Å; R224-E382 IonicContact NE-OE2 2.75Å; R224-E382 PolarHBondContact NE-OE2 3.39Å; R224-E382 IonicContact NH2-OE1 2.86Å; R224-E382 IonicContact NH2-OE2 3.42Å; R224-E382 PolarHBondContact NH2-OE2 3.1Å
225M94.6Very high92.4Very high30 Ų3028.2 Ų28.215%0.14814%0.136CC..Hα-helixtrans-60.6-51.7176.7-169.1-152.1-163.600111.7W208 L221 L222 S227 L228 M229 L301 F304W208-M225 HydrophobicContact CG-CE 4.36Å; W208-M225 HydrophobicContact CZ2-CB 4.36Å; W208-M225 HydrophobicContact CZ2-CG 4.48Å; W208-M225 HydrophobicContact CZ2-SD 4.38Å; W208-M225 PolarHBondContact NE1-SD 2.85Å; L221-M225 WeakPolarHBondContact O-CB 3.26Å; L221-M225 PolarHBondContact O-N 3.23Å; L222-M225 PolarHBondContact O-N 3.46Å; M225-S227 VanDerWaalsContact C-N 3.35Å; M225-S227 PolarHBondContact O-N 3.09Å; M225-L228 PolarHBondContact O-N 2.66Å; M225-M229 WeakPolarHBondContact O-CB 3.43Å; M225-M229 PolarHBondContact O-N 2.86Å; M225-L301 HydrophobicContact CE-CD2 3.58Å; M225-F304 HydrophobicContact CB-CD1 4.44Å; M225-F304 HydrophobicContact CB-CE1 3.94Å; M225-F304 HydrophobicContact CB-CE2 4.23Å; M225-F304 HydrophobicContact CB-CZ 3.85Å; M225-F304 HydrophobicContact CG-CD2 4.37Å; M225-F304 HydrophobicContact CG-CE2 4.18Å; M225-F304 HydrophobicContact CG-CZ 4.31Å
226C94.6Very high92.6Very high12 Ų1228.6 Ų28.68%0.08114%0.137CC..Hα-helixtrans-61.3-42.4179.2-65.50000111.8S148 V152 L222 G230S148-C226 WeakPolarHBondContact O-CB 3.4Å; S148-C226 VanDerWaalsContact OG-CB 3.31Å; S148-C226 WeakPolarHBondContact OG-CB 3Å; V152-C226 HydrophobicContact CB-CB 4.08Å; V152-C226 HydrophobicContact CG1-CB 3.78Å; L222-C226 WeakPolarHBondContact O-CB 3.19Å; L222-C226 PolarHBondContact O-N 3.47Å; L222-C226 PolarHBondContact O-SG 2.97Å; C226-G230 PolarHBondContact O-N 3.22Å
227S93.6Very high92.9Very high3 Ų323.7 Ų23.72%0.02112%0.116CC..Hα-helixtrans-63.3-46.6177.5-1740000112.2S148 R223 R224 M225 T231S148-S227 PolarHBondContact OG-N 3.27Å; R223-S227 VanDerWaalsContact O-CB 3.31Å; R223-S227 WeakPolarHBondContact O-CB 3.43Å; R223-S227 PolarHBondContact O-N 2.73Å; R224-S227 PolarHBondContact O-N 3.35Å; M225-S227 VanDerWaalsContact C-N 3.35Å; M225-S227 PolarHBondContact O-N 3.09Å; S227-T231 WeakPolarHBondContact O-CB 3.46Å; S227-T231 PolarHBondContact O-N 3.23Å; S227-T231 PolarHBondContact O-OG1 2.86Å
228L94.5Very high93.1Very high7 Ų725.7 Ų25.74%0.03713%0.13CC..Hα-helixtrans-68.2-47.9-179.8-82173.2000111.4R224 M225 G230 T231 V232 M300 F304 F353 Y356R224-L228 WeakPolarHBondContact O-CB 3.29Å; R224-L228 PolarHBondContact O-N 3.18Å; M225-L228 PolarHBondContact O-N 2.66Å; L228-G230 PolarHBondContact O-N 3.2Å; L228-T231 PolarHBondContact O-N 3.32Å; L228-V232 VanDerWaalsContact O-CG2 3.27Å; L228-V232 WeakPolarHBondContact O-CG2 3.42Å; L228-V232 PolarHBondContact O-N 3.25Å; L228-M300 HydrophobicContact CB-CE 3.9Å; L228-M300 HydrophobicContact CB-SD 4.18Å; L228-M300 HydrophobicContact CD1-SD 4.46Å; L228-F304 HydrophobicContact CB-CE2 4.47Å; L228-F304 HydrophobicContact CD1-CE2 3.91Å; L228-F304 HydrophobicContact CD1-CZ 3.72Å; L228-F353 HydrophobicContact CD1-CD2 4.11Å; L228-Y356 HydrophobicContact CD1-CD1 3.95Å; L228-Y356 HydrophobicContact CD1-CD2 4.38Å; L228-Y356 HydrophobicContact CD1-CG 3.9Å; L228-Y356 HydrophobicContact CD2-CD2 3.67Å; L228-Y356 HydrophobicContact CD2-CE2 4.48Å; L228-Y356 HydrophobicContact CD2-CG 3.75Å; L228-Y356 HydrophobicContact CG-CD1 4.36Å; L228-Y356 HydrophobicContact CG-CD2 3.92Å; L228-Y356 HydrophobicContact CG-CE2 4.32Å; L228-Y356 HydrophobicContact CG-CG 3.95Å
229M95.3Very high93.2Very high11 Ų1121.8 Ų21.85%0.05412%0.119CC..Hα-helixtrans-60.8-48179.6-167.665.181.600111.2V152 F156 M225 T231 V232 F233 V296 V297 M300V152-M229 HydrophobicContact CG2-CB 4.17Å; V152-M229 HydrophobicContact CG2-CG 4.25Å; F156-M229 HydrophobicContact CE1-CG 3.9Å; F156-M229 HydrophobicContact CZ-CG 3.53Å; M225-M229 WeakPolarHBondContact O-CB 3.43Å; M225-M229 PolarHBondContact O-N 2.86Å; M229-T231 PolarHBondContact O-N 3.4Å; M229-V232 PolarHBondContact O-N 3.18Å; M229-F233 HydrophobicContact CG-CD2 4Å; M229-F233 HydrophobicContact CG-CE2 4.18Å; M229-F233 WeakPolarHBondContact O-CB 3.44Å; M229-F233 WeakPolarHBondContact O-CD2 3.41Å; M229-F233 PolarHBondContact O-N 3.1Å; M229-F233 HydrophobicContact SD-CD2 3.67Å; M229-F233 HydrophobicContact SD-CE2 3.39Å; M229-F233 WeakPolarHBondContact SD-CE2 3.44Å; M229-V296 HydrophobicContact SD-CG1 4.19Å; M229-V297 HydrophobicContact CE-CG2 4.22Å; M229-V297 HydrophobicContact SD-CG2 4.26Å; M229-M300 HydrophobicContact CE-CB 3.94Å; M229-M300 HydrophobicContact CE-CG 3.79Å
230G94.4Very high93.2Very high0 Ų021.4 Ų21.40%012%0.116CC..Hα-helixtrans-61.4-40.9177.200000112.6Y151 C226 L228 V232 F233 M234Y151-G230 PolarHBondContact OH-O 3.44Å; C226-G230 PolarHBondContact O-N 3.22Å; L228-G230 PolarHBondContact O-N 3.2Å; G230-V232 PolarHBondContact O-N 3.3Å; G230-F233 PolarHBondContact O-N 3.34Å; G230-M234 WeakPolarHBondContact O-CB 3.29Å; G230-M234 PolarHBondContact O-N 2.86Å
231T93.9Very high93.2Very high55 Ų5526.2 Ų26.234%0.33714%0.138SC..Hα-helixtrans-63.2-45.9178.3-55.60000111.6S227 L228 M229 M234 L235S227-T231 WeakPolarHBondContact O-CB 3.46Å; S227-T231 PolarHBondContact O-N 3.23Å; S227-T231 PolarHBondContact O-OG1 2.86Å; L228-T231 PolarHBondContact O-N 3.32Å; M229-T231 PolarHBondContact O-N 3.4Å; T231-M234 PolarHBondContact O-N 3.47Å; T231-L235 PolarHBondContact O-N 2.9Å; T231-L235 VanDerWaalsContact O-N 3.13Å
232V94.9Very high93.1Very high0 Ų031.2 Ų31.20%017%0.168CC..Hα-helixtrans-65.2-44.1-179.6175.60000111.3L228 M229 G230 L235 R236 F291 V296 M300 L352L228-V232 VanDerWaalsContact O-CG2 3.27Å; L228-V232 WeakPolarHBondContact O-CG2 3.42Å; L228-V232 PolarHBondContact O-N 3.25Å; M229-V232 PolarHBondContact O-N 3.18Å; G230-V232 PolarHBondContact O-N 3.3Å; V232-L235 WeakPolarHBondContact O-CB 3.48Å; V232-L235 PolarHBondContact O-N 3.35Å; V232-R236 PolarHBondContact O-N 3Å; V232-F291 HydrophobicContact CG1-CE1 3.42Å; V232-F291 VanDerWaalsContact CG1-CE1 3.42Å; V232-F291 HydrophobicContact CG1-CZ 3.47Å; V232-F291 VanDerWaalsContact CG1-CZ 3.47Å; V232-V296 HydrophobicContact CB-CG1 4.28Å; V232-V296 HydrophobicContact CG1-CB 4.33Å; V232-V296 HydrophobicContact CG1-CG1 3.45Å; V232-V296 VanDerWaalsContact CG1-CG1 3.45Å; V232-V296 HydrophobicContact CG1-CG2 3.84Å; V232-M300 HydrophobicContact CG2-CE 3.83Å; V232-L352 HydrophobicContact CG2-CD1 3.55Å
233F94.6Very high92.8Very high15 Ų1531.8 Ų31.87%0.06617%0.174CC..Hα-helixtrans-71-30.4178-88-97.7000112.9V155 F156 T159 M229 G230 R236 C237 V296 V297V155-F233 HydrophobicContact CG1-CB 3.63Å; F156-F233 HydrophobicContact CD1-CD1 4.23Å; F156-F233 HydrophobicContact CD1-CG 4.25Å; F156-F233 HydrophobicContact CE1-CB 4.41Å; F156-F233 HydrophobicContact CE1-CD1 4.08Å; F156-F233 AromaticContact CE1-CD2 3.85Å; F156-F233 HydrophobicContact CE1-CD2 3.85Å; F156-F233 HydrophobicContact CE1-CE1 4.29Å; F156-F233 HydrophobicContact CE1-CE2 4.09Å; F156-F233 AromaticContact CE1-CG 3.84Å; F156-F233 HydrophobicContact CE1-CG 3.84Å; F156-F233 HydrophobicContact CE1-CZ 4.29Å; T159-F233 HydrophobicContact CG2-CD1 4.02Å; T159-F233 HydrophobicContact CG2-CE1 4.49Å; M229-F233 HydrophobicContact CG-CD2 4Å; M229-F233 HydrophobicContact CG-CE2 4.18Å; M229-F233 WeakPolarHBondContact O-CB 3.44Å; M229-F233 WeakPolarHBondContact O-CD2 3.41Å; M229-F233 PolarHBondContact O-N 3.1Å; M229-F233 HydrophobicContact SD-CD2 3.67Å; M229-F233 HydrophobicContact SD-CE2 3.39Å; M229-F233 WeakPolarHBondContact SD-CE2 3.44Å; G230-F233 PolarHBondContact O-N 3.34Å; F233-R236 VanDerWaalsContact O-CB 3.29Å; F233-R236 WeakPolarHBondContact O-CB 3.11Å; F233-R236 PolarHBondContact O-N 3.45Å; F233-C237 PolarHBondContact O-N 3.25Å; F233-C237 PolarHBondContact O-SG 2.98Å; F233-V296 HydrophobicContact CD2-CG1 4.27Å; F233-V296 HydrophobicContact CE2-CB 4.36Å; F233-V296 HydrophobicContact CE2-CG1 3.77Å; F233-V297 HydrophobicContact CE2-CG2 3.94Å; F233-V297 HydrophobicContact CZ-CG2 3.81Å
234M94.1Very high92.3Very high71 Ų7133.2 Ų33.235%0.3518%0.184SC..Hα-helixtrans-64.8-42.7171.9-126.2-53.9-7800111.5V155 F158 G230 T231 R236 C237 V238V155-M234 HydrophobicContact CG1-CB 4.48Å; V155-M234 HydrophobicContact CG1-CG 4.48Å; V155-M234 HydrophobicContact CG2-CG 4.1Å; F158-M234 HydrophobicContact CD1-SD 4.25Å; F158-M234 HydrophobicContact CE1-SD 4.06Å; G230-M234 WeakPolarHBondContact O-CB 3.29Å; G230-M234 PolarHBondContact O-N 2.86Å; T231-M234 PolarHBondContact O-N 3.47Å; M234-R236 VanDerWaalsContact C-N 3.28Å; M234-R236 PolarHBondContact O-N 3.32Å; M234-C237 WeakPolarHBondContact O-CB 3.32Å; M234-C237 PolarHBondContact O-N 2.78Å; M234-C237 HydrophobicContact SD-CB 4.4Å; M234-V238 HydrophobicContact CE-CG2 3.73Å; M234-V238 PolarHBondContact O-N 3Å; M234-V238 VanDerWaalsContact O-N 3.16Å; M234-V238 HydrophobicContact SD-CG2 4.45Å
235L93.2Very high91.9Very high74 Ų7435 Ų3539%0.38719%0.193SC..Hα-helixtrans-58.5-44.1173.9179.462.1000110.7T231 V232 C237 V238 T239 I348T231-L235 PolarHBondContact O-N 2.9Å; T231-L235 VanDerWaalsContact O-N 3.13Å; V232-L235 WeakPolarHBondContact O-CB 3.48Å; V232-L235 PolarHBondContact O-N 3.35Å; L235-C237 PolarHBondContact O-N 2.73Å; L235-V238 PolarHBondContact O-N 3.45Å; L235-T239 HydrophobicContact CD1-CG2 4.33Å; L235-T239 WeakPolarHBondContact O-CG2 3.37Å; L235-T239 PolarHBondContact O-N 3.49Å; L235-T239 PolarHBondContact O-OG1 3.44Å; L235-I348 HydrophobicContact CD2-CD1 4.21Å; L235-I348 HydrophobicContact CD2-CG2 4.09Å
236R92.9Very high91.5Very high11 Ų1134 Ų344%0.04219%0.189CC..Hα-helixtrans-54.6-48174-171.4179.5-173.1-159.74.1112.4V232 F233 M234 V238 T239 M240 D288 F291 G293V232-R236 PolarHBondContact O-N 3Å; F233-R236 VanDerWaalsContact O-CB 3.29Å; F233-R236 WeakPolarHBondContact O-CB 3.11Å; F233-R236 PolarHBondContact O-N 3.45Å; M234-R236 VanDerWaalsContact C-N 3.28Å; M234-R236 PolarHBondContact O-N 3.32Å; R236-V238 VanDerWaalsContact C-N 3.29Å; R236-V238 PolarHBondContact O-N 2.96Å; R236-T239 WeakPolarHBondContact CA-OG1 3.33Å; R236-T239 PolarHBondContact O-N 2.68Å; R236-T239 PolarHBondContact O-OG1 2.75Å; R236-M240 HydrophobicContact CG-CE 3.61Å; R236-M240 HydrophobicContact CG-CG 4.12Å; R236-M240 HydrophobicContact CG-SD 3.69Å; R236-M240 PolarHBondContact NE-SD 3.04Å; R236-M240 VanDerWaalsContact NE-SD 3.37Å; R236-M240 WeakPolarHBondContact O-CB 3.41Å; R236-M240 VanDerWaalsContact O-CG 3.29Å; R236-M240 WeakPolarHBondContact O-CG 3.46Å; R236-M240 PolarHBondContact O-N 3.3Å; R236-D288 IonicContact CZ-OD2 2.81Å; R236-D288 PolarHBondContact NH2-O 3.4Å; R236-D288 IonicContact NH2-OD2 3.13Å; R236-D288 PolarHBondContact NH2-OD2 3.42Å; R236-F291 HydrophobicContact CB-CD1 3.46Å; R236-F291 VanDerWaalsContact CB-CD1 3.46Å; R236-F291 HydrophobicContact CB-CE1 4Å; R236-F291 HydrophobicContact CB-CG 4.42Å; R236-F291 WeakPolarHBondContact CD-O 3.48Å; R236-F291 HydrophobicContact CG-CB 4.15Å; R236-F291 HydrophobicContact CG-CD1 3.58Å; R236-F291 HydrophobicContact CG-CE1 4.5Å; R236-F291 HydrophobicContact CG-CG 4.34Å; R236-F291 VanDerWaalsContact CZ-O 3.29Å; R236-F291 PolarHBondContact NE-O 3.12Å; R236-F291 PolarHBondContact NH2-O 3.05Å; R236-G293 VanDerWaalsContact NH1-CA 3.27Å
237C92.6Very high91.1Very high1 Ų133.6 Ų33.61%0.00719%0.186CC..Hα-helixtrans-57.4-45.1179.2-68.50000111.6F158 T159 V162 F233 M234 L235 F241F158-C237 HydrophobicContact CD1-CB 3.94Å; F158-C237 HydrophobicContact CE1-CB 3.67Å; T159-C237 WeakPolarHBondContact CA-SG 3.43Å; T159-C237 PolarHBondContact OG1-SG 3.32Å; V162-C237 HydrophobicContact CG2-CB 4.25Å; F233-C237 PolarHBondContact O-N 3.25Å; F233-C237 PolarHBondContact O-SG 2.98Å; M234-C237 WeakPolarHBondContact O-CB 3.32Å; M234-C237 PolarHBondContact O-N 2.78Å; M234-C237 HydrophobicContact SD-CB 4.4Å; L235-C237 PolarHBondContact O-N 2.73Å; C237-F241 WeakPolarHBondContact O-CB 3.19Å; C237-F241 PolarHBondContact O-N 3.37Å; C237-F241 VanDerWaalsContact O-N 3.08Å
238V92.1Very high90.4Very high69 Ų6933.9 Ų33.942%0.41819%0.188SC..Hα-helixtrans-64.7-47.2178.4177.40000110.6M234 L235 R236 F241 V242M234-V238 HydrophobicContact CE-CG2 3.73Å; M234-V238 PolarHBondContact O-N 3Å; M234-V238 VanDerWaalsContact O-N 3.16Å; M234-V238 HydrophobicContact SD-CG2 4.45Å; L235-V238 PolarHBondContact O-N 3.45Å; R236-V238 VanDerWaalsContact C-N 3.29Å; R236-V238 PolarHBondContact O-N 2.96Å; V238-F241 PolarHBondContact O-N 3.49Å; V238-V242 HydrophobicContact CG1-CG2 4.24Å; V238-V242 WeakPolarHBondContact O-CB 3.38Å; V238-V242 WeakPolarHBondContact O-CG2 3.4Å; V238-V242 PolarHBondContact O-N 3.37Å
239T91.4Very high89.5Confident34 Ų3434 Ų3421%0.20919%0.19CC..Hα-helixtrans-64.8-45.5-177.652.90000112.6L235 R236 F241 V242 T243L235-T239 HydrophobicContact CD1-CG2 4.33Å; L235-T239 WeakPolarHBondContact O-CG2 3.37Å; L235-T239 PolarHBondContact O-N 3.49Å; L235-T239 PolarHBondContact O-OG1 3.44Å; R236-T239 WeakPolarHBondContact CA-OG1 3.33Å; R236-T239 PolarHBondContact O-N 2.68Å; R236-T239 PolarHBondContact O-OG1 2.75Å; T239-F241 VanDerWaalsContact C-N 3.31Å; T239-F241 PolarHBondContact O-N 2.94Å; T239-V242 PolarHBondContact O-N 2.87Å; T239-T243 PolarHBondContact O-N 2.84Å
240M88.9Confident88.3Confident0 Ų041.5 Ų41.50%023%0.226CC..Hα-helixtrans-65.3-35.7178.5-66.3-175.7-49.800112.2V162 M163 V166 R236 T243 D288 M290V162-M240 HydrophobicContact CG1-CE 4.36Å; M163-M240 HydrophobicContact CG-CE 4.37Å; M163-M240 HydrophobicContact SD-CE 3.64Å; M163-M240 HydrophobicContact SD-SD 3.87Å; V166-M240 HydrophobicContact CG2-CB 4.2Å; V166-M240 WeakPolarHBondContact CG2-O 3.42Å; R236-M240 HydrophobicContact CG-CE 3.61Å; R236-M240 HydrophobicContact CG-CG 4.12Å; R236-M240 HydrophobicContact CG-SD 3.69Å; R236-M240 PolarHBondContact NE-SD 3.04Å; R236-M240 VanDerWaalsContact NE-SD 3.37Å; R236-M240 WeakPolarHBondContact O-CB 3.41Å; R236-M240 VanDerWaalsContact O-CG 3.29Å; R236-M240 WeakPolarHBondContact O-CG 3.46Å; R236-M240 PolarHBondContact O-N 3.3Å; M240-T243 CarbonylContact O-C 3.55Å; M240-D288 HydrophobicContact SD-CB 3.66Å; M240-M290 WeakPolarHBondContact CG-O 3.4Å
241F89.1Confident87.1Confident103 Ų10344.1 Ų44.145%0.45224%0.238SC..Hα-helixtrans-70.8-40.2177.6-178.6-92.8000112.4V162 I165 R169 C237 V238 T239V162-F241 HydrophobicContact CG1-CB 4.31Å; I165-F241 HydrophobicContact CG2-CE2 4.33Å; R169-F241 VanDerWaalsContact NH1-CD2 3.27Å; C237-F241 WeakPolarHBondContact O-CB 3.19Å; C237-F241 PolarHBondContact O-N 3.37Å; C237-F241 VanDerWaalsContact O-N 3.08Å; V238-F241 PolarHBondContact O-N 3.49Å; T239-F241 VanDerWaalsContact C-N 3.31Å; T239-F241 PolarHBondContact O-N 2.94Å
242V90.3Very high85.9Confident105 Ų10542.2 Ų42.264%0.63623%0.225SC*.Hα-helixtrans-69.3-42.2-179.4170.80000111.1V238 T239V238-V242 HydrophobicContact CG1-CG2 4.24Å; V238-V242 WeakPolarHBondContact O-CB 3.38Å; V238-V242 WeakPolarHBondContact O-CG2 3.4Å; V238-V242 PolarHBondContact O-N 3.37Å; T239-V242 PolarHBondContact O-N 2.87Å
243T86.6Confident84.6Confident64 Ų6451.1 Ų51.139%0.39327%0.267SS..  trans-134.2119.2-179.2-520000111T239 M240 L245T239-T243 PolarHBondContact O-N 2.84Å; M240-T243 CarbonylContact O-C 3.55Å; T243-L245 HydrophobicContact CG2-CD2 4.16Å
244S83.1Confident83.4Confident31 Ų3151.5 Ų51.522%0.21727%0.271CS..PPolyproline II helixtrans-101.9121.6173.7-50.90000109.5
245L85.6Confident81.9Confident40 Ų4052.6 Ų52.621%0.20928%0.282CS..PPolyproline II helixtrans-90.5159.4-178.9-61.5177.1000111.7T243 M290 Y338T243-L245 HydrophobicContact CG2-CD2 4.16Å; L245-M290 HydrophobicContact CD1-CB 4.18Å; L245-Y338 HydrophobicContact CB-CE2 4.47Å
246S85.5Confident80.2Confident8 Ų850.5 Ų50.56%0.05628%0.278CS..PPolyproline II helixtrans-69.7155.5172.863.70000111.4P177 L179 Y338P177-S246 PolarHBondContact O-OG 3.3Å; L179-S246 WeakPolarHBondContact CD1-OG 3.39Å; S246-Y338 VanDerWaalsContact O-CE2 3.26Å; S246-Y338 WeakPolarHBondContact O-CE2 3.34Å; S246-Y338 PolarHBondContact O-OH 3.41Å; S246-Y338 PolarHBondContact OG-OH 3.38Å
247V85.8Confident78.5Confident3 Ų359.7 Ų59.72%0.01832%0.318CS..PPolyproline II helixtrans-65.6132.8-176.5-177.90000110.9V170 M173 P178 G249 L252 C254 Y289V170-V247 HydrophobicContact CG1-CG2 3.63Å; M173-V247 HydrophobicContact CE-CB 4.05Å; M173-V247 HydrophobicContact CE-CG1 3.89Å; M173-V247 HydrophobicContact CG-CB 4.17Å; M173-V247 HydrophobicContact CG-CG2 3.94Å; M173-V247 HydrophobicContact SD-CB 4.3Å; M173-V247 HydrophobicContact SD-CG1 4.44Å; M173-V247 HydrophobicContact SD-CG2 4.12Å; P178-V247 WeakPolarHBondContact CG-O 3.3Å; V247-G249 VanDerWaalsContact C-N 3.32Å; V247-G249 VanDerWaalsContact CG1-O 3.26Å; V247-G249 WeakPolarHBondContact CG1-O 3.37Å; V247-G249 PolarHBondContact O-N 3.49Å; V247-L252 HydrophobicContact CG1-CB 3.88Å; V247-L252 HydrophobicContact CG1-CD1 4.1Å; V247-L252 HydrophobicContact CG1-CG 4.43Å; V247-C254 HydrophobicContact CG2-CB 4.49Å; V247-Y289 HydrophobicContact CB-CE2 4.2Å; V247-Y289 HydrophobicContact CG2-CE2 3.97Å
248P79.9Confident76.8Confident10 Ų1064.5 Ų64.57%0.06534%0.343CS..SBendtrans-73.4-18.9-175.827.4-33.8000114.2L184 Y289 E336 Y338L184-P248 HydrophobicContact CD1-CB 4.21Å; P248-Y289 VanDerWaalsContact CD-CZ 3.43Å; P248-Y289 HydrophobicContact CG-CD1 3.96Å; P248-Y289 HydrophobicContact CG-CE1 3.87Å; P248-E336 WeakPolarHBondContact CG-O 3.23Å; P248-Y338 HydrophobicContact CB-CD1 4.17Å; P248-Y338 HydrophobicContact CB-CD2 4.35Å; P248-Y338 HydrophobicContact CB-CE1 3.88Å; P248-Y338 HydrophobicContact CB-CE2 4.06Å; P248-Y338 HydrophobicContact CB-CG 4.4Å
249G75.8Confident75.4Confident8 Ų863.9 Ų63.98%0.08233%0.334CS..  trans-143.8142.5-178.200000113.6M173 V247 H251 L252M173-G249 WeakPolarHBondContact CE-O 3.43Å; V247-G249 VanDerWaalsContact C-N 3.32Å; V247-G249 VanDerWaalsContact CG1-O 3.26Å; V247-G249 WeakPolarHBondContact CG1-O 3.37Å; V247-G249 PolarHBondContact O-N 3.49Å; G249-H251 PolarHBondContact O-N 2.84Å; G249-L252 PolarHBondContact O-N 2.92Å
250Q68.6Low74.2Confident170 Ų17065.9 Ų65.979%0.79436%0.361SS*.THydrogen-bonded Turntrans-68.2-13.9177.3-67-176.5-6.800113.5L252Q250-L252 VanDerWaalsContact C-N 3.32Å
251H69.3Low74Confident54 Ų5471.6 Ų71.625%0.2539%0.391CS..THydrogen-bonded Turntrans-76.4-18.3-18064.4-90.7000113.9R189 G249 Q253 H335 E336R189-H251 PolarHBondContact NE-CD2 3.37Å; R189-H251 PolarHBondContact NE-CE1 3.32Å; R189-H251 PolarHBondContact NE-ND1 3.27Å; R189-H251 PolarHBondContact NE-NE2 3.21Å; R189-H251 VanDerWaalsContact NH1-CG 3.26Å; R189-H251 PolarHBondContact NH2-CD2 2.96Å; R189-H251 PolarHBondContact NH2-NE2 3.13Å; G249-H251 PolarHBondContact O-N 2.84Å; H251-Q253 PolarHBondContact O-N 3.46Å; H251-H335 PolarHBondContact CE1-O 2.98Å; H251-E336 IonicContact CD2-OE1 3.89Å; H251-E336 PolarHBondContact CD2-OE1 2.91Å; H251-E336 IonicContact CE1-OE1 3.72Å; H251-E336 IonicContact NE2-OE1 2.68Å; H251-E336 PolarHBondContact NE2-OE1 2.7Å
252L70.4Confident73.7Confident16 Ų1672.8 Ų72.88%0.08440%0.4CS..SBendtrans-81.1103.9171.3-70.196.4000108.5V247 G249 Q250 C254 E336V247-L252 HydrophobicContact CG1-CB 3.88Å; V247-L252 HydrophobicContact CG1-CD1 4.1Å; V247-L252 HydrophobicContact CG1-CG 4.43Å; G249-L252 PolarHBondContact O-N 2.92Å; Q250-L252 VanDerWaalsContact C-N 3.32Å; L252-C254 VanDerWaalsContact C-N 3.31Å; L252-C254 PolarHBondContact O-N 3.08Å; L252-E336 WeakPolarHBondContact CD2-OE2 3.11Å; L252-E336 WeakPolarHBondContact CG-OE2 3.35Å
253Q65.8Low73.5Confident187 Ų18775.9 Ų75.987%0.87440%0.4SS*.  trans-76.984.6172.9-67-165.5-0.300110.1H251H251-Q253 PolarHBondContact O-N 3.46Å
254C71.1Confident73.4Confident23 Ų2374.3 Ų74.316%0.15539%0.393CS..  trans-90.998.7178-52.50000110.4V247 L252 G256 C286V247-C254 HydrophobicContact CG2-CB 4.49Å; L252-C254 VanDerWaalsContact C-N 3.31Å; L252-C254 PolarHBondContact O-N 3.08Å; C254-G256 PolarHBondContact O-N 3.29Å; C254-C286 HydrophobicContact CB-CB 3.7Å; C254-C286 WeakPolarHBondContact CB-SG 3.33Å; C254-C286 WeakPolarHBondContact SG-CB 3.21Å; C254-C286 CovalentContact SG-SG 2.01Å; C254-C286 PolarHBondContact SG-SG 3.43Å
255T61.7Low73.6Confident94 Ų9474.2 Ų74.258%0.57739%0.389SS*.  trans-83.997.2172.314.40000110.7K257T255-K257 PolarHBondContact O-N 2.94Å
256G57.7Low73.7Confident29 Ų2976.2 Ų76.230%0.29940%0.4SS..SBendtrans-69.314.9-170.200000118.3C254C254-G256 PolarHBondContact O-N 3.29Å
257K57.2Low73.8Confident204 Ų20481.2 Ų81.289%0.88742%0.422SS*.  trans-145.848.1-173.6-64.4-171.8-179.31780115.1T255T255-K257 PolarHBondContact O-N 2.94Å
258I57.1Low73.7Confident103 Ų10384.8 Ų84.853%0.52844%0.435SS..  trans-95.6-24.8-176.7-62.8-177.4000113.7
259Y62.2Low74.1Confident56 Ų5684.6 Ų84.622%0.2243%0.434CS..  trans-11594.6-169.1-47.5-71.7000112.8E168 A264 K265 R268E168-Y259 WeakPolarHBondContact OE1-CB 3.35Å; Y259-A264 HydrophobicContact CD1-CB 4.26Å; Y259-K265 WeakPolarHBondContact O-CE 3.21Å; Y259-R268 HydrophobicContact CE1-CB 4.49Å; Y259-R268 HydrophobicContact CE2-CG 4.32Å
260G66.8Low74.7Confident76 Ų7687.8 Ų87.878%0.78445%0.452SS*.  trans-72.4-40.8174.500000113.1
261D83.9Confident75.6Confident119 Ų11981.6 Ų81.664%0.63643%0.43SS*.SBendtrans-93.4138.5-172.5-71.5-24.4000113.3W263 A264 K265D261-W263 PolarHBondContact O-N 3.01Å; D261-A264 HydrophobicContact CB-CB 4.37Å; D261-A264 WeakPolarHBondContact O-CB 3.15Å; D261-A264 PolarHBondContact O-N 3.41Å; D261-K265 PolarHBondContact O-N 2.95Å; D261-K265 VanDerWaalsContact O-N 3.14Å
262M83.4Confident76.4Confident129 Ų12979.3 Ų79.364%0.63542%0.42SS*.Hα-helixtrans-55.6-34.9174.9-172.364.571.900112.3F161 K265 L266F161-M262 HydrophobicContact CE2-SD 4.47Å; F161-M262 HydrophobicContact CZ-SD 4.49Å; M262-K265 PolarHBondContact O-N 3.47Å; M262-L266 PolarHBondContact O-N 2.98Å
263W86.1Confident77.3Confident170 Ų17083.6 Ų83.664%0.64444%0.435SS*.Hα-helixtrans-66-42177.1-174-107.2000112.5D261 K265 L266 Q267D261-W263 PolarHBondContact O-N 3.01Å; W263-K265 VanDerWaalsContact C-N 3.31Å; W263-K265 PolarHBondContact O-N 2.88Å; W263-L266 HydrophobicContact CE3-CD2 4.26Å; W263-L266 HydrophobicContact CZ3-CD2 4.08Å; W263-L266 PolarHBondContact O-N 3.25Å; W263-Q267 WeakPolarHBondContact O-CG 3.08Å; W263-Q267 PolarHBondContact O-N 3.26Å
264A84.6Confident78.3Confident30 Ų3078.9 Ų78.925%0.24842%0.422CS..Hα-helixtrans-64.6-37.8176.600000111.5Y259 D261 Q267 R268Y259-A264 HydrophobicContact CD1-CB 4.26Å; D261-A264 HydrophobicContact CB-CB 4.37Å; D261-A264 WeakPolarHBondContact O-CB 3.15Å; D261-A264 PolarHBondContact O-N 3.41Å; A264-Q267 PolarHBondContact O-N 3.2Å; A264-R268 PolarHBondContact O-N 3.35Å
265K86.2Confident78.9Confident30 Ų3078.1 Ų78.113%0.1342%0.419CS..Hα-helixtrans-62.4-44.1173.4-62.4-177.3-164.3-160.40111.7V164 I165 E168 Y259 D261 M262 W263 R268 A269V164-K265 HydrophobicContact CG1-CB 3.96Å; V164-K265 HydrophobicContact CG1-CG 4.14Å; I165-K265 HydrophobicContact CD1-CD 4.23Å; E168-K265 VanDerWaalsContact CD-NZ 3.29Å; E168-K265 WeakPolarHBondContact OE1-CE 3.24Å; E168-K265 IonicContact OE1-NZ 2.65Å; E168-K265 PolarHBondContact OE1-NZ 3.39Å; E168-K265 VanDerWaalsContact OE1-NZ 3.13Å; E168-K265 WeakPolarHBondContact OE2-CE 3.38Å; E168-K265 IonicContact OE2-NZ 2.73Å; E168-K265 PolarHBondContact OE2-NZ 3.4Å; Y259-K265 WeakPolarHBondContact O-CE 3.21Å; D261-K265 PolarHBondContact O-N 2.95Å; D261-K265 VanDerWaalsContact O-N 3.14Å; M262-K265 PolarHBondContact O-N 3.47Å; W263-K265 VanDerWaalsContact C-N 3.31Å; W263-K265 PolarHBondContact O-N 2.88Å; K265-R268 PolarHBondContact O-N 2.88Å; K265-A269 WeakPolarHBondContact O-CB 3.2Å; K265-A269 PolarHBondContact O-N 3.42Å
266L88Confident79.9Confident82 Ų8281.4 Ų81.443%0.42943%0.426SS..Hα-helixtrans-64.3-43.4177.2-172.366.1000111.5M262 W263 R268 A269 V270M262-L266 PolarHBondContact O-N 2.98Å; W263-L266 HydrophobicContact CE3-CD2 4.26Å; W263-L266 HydrophobicContact CZ3-CD2 4.08Å; W263-L266 PolarHBondContact O-N 3.25Å; L266-R268 VanDerWaalsContact C-N 3.33Å; L266-R268 PolarHBondContact O-N 3.38Å; L266-A269 PolarHBondContact O-N 2.71Å; L266-V270 WeakPolarHBondContact O-CG2 3.37Å; L266-V270 PolarHBondContact O-N 2.86Å
267Q87.4Confident80.9Confident112 Ų11281.1 Ų81.152%0.52342%0.422SS..Hα-helixtrans-60-42.5175.6-74.2-176.9-35.500111.9W263 A264 V270 A271W263-Q267 WeakPolarHBondContact O-CG 3.08Å; W263-Q267 PolarHBondContact O-N 3.26Å; A264-Q267 PolarHBondContact O-N 3.2Å; Q267-V270 PolarHBondContact O-N 2.95Å; Q267-A271 PolarHBondContact O-N 3.36Å
268R85.1Confident82.1Confident79 Ų7973.7 Ų73.730%0.29839%0.391SS..Hα-helixtrans-66.4-41.4175.4-172.962.3176.8-178.91.7111.8V164 Y259 A264 K265 L266 V270 A271 I272V164-R268 HydrophobicContact CG2-CB 4.26Å; V164-R268 HydrophobicContact CG2-CG 4.06Å; Y259-R268 HydrophobicContact CE1-CB 4.49Å; Y259-R268 HydrophobicContact CE2-CG 4.32Å; A264-R268 PolarHBondContact O-N 3.35Å; K265-R268 PolarHBondContact O-N 2.88Å; L266-R268 VanDerWaalsContact C-N 3.33Å; L266-R268 PolarHBondContact O-N 3.38Å; R268-V270 VanDerWaalsContact C-N 3.31Å; R268-V270 PolarHBondContact O-N 3.15Å; R268-A271 WeakPolarHBondContact O-CB 3.24Å; R268-A271 PolarHBondContact O-N 2.61Å; R268-A271 VanDerWaalsContact O-N 3.17Å; R268-I272 HydrophobicContact CG-CD1 4.1Å; R268-I272 WeakPolarHBondContact O-CG1 3.22Å; R268-I272 PolarHBondContact O-N 3.4Å
269A87.6Confident83.1Confident5 Ų569.7 Ų69.74%0.04137%0.373CS..Hα-helixtrans-60.6-41.3175.700000111.6S160 F161 V164 K265 L266 I272 W273S160-A269 WeakPolarHBondContact CB-O 3.33Å; F161-A269 HydrophobicContact CB-CB 4.24Å; F161-A269 HydrophobicContact CD2-CB 4.39Å; V164-A269 HydrophobicContact CG2-CB 4.08Å; K265-A269 WeakPolarHBondContact O-CB 3.2Å; K265-A269 PolarHBondContact O-N 3.42Å; L266-A269 PolarHBondContact O-N 2.71Å; A269-I272 PolarHBondContact O-N 3.25Å; A269-W273 VanDerWaalsContact O-CB 3.28Å; A269-W273 WeakPolarHBondContact O-CB 3.22Å; A269-W273 PolarHBondContact O-N 2.86Å
270V89.1Confident83.6Confident75 Ų7572.1 Ų72.146%0.45539%0.389SS..Hα-helixtrans-64.7-39.5174.5171.60000111.4L266 Q267 R268 W273 S274L266-V270 WeakPolarHBondContact O-CG2 3.37Å; L266-V270 PolarHBondContact O-N 2.86Å; Q267-V270 PolarHBondContact O-N 2.95Å; R268-V270 VanDerWaalsContact C-N 3.31Å; R268-V270 PolarHBondContact O-N 3.15Å; V270-W273 PolarHBondContact O-N 2.69Å; V270-S274 WeakPolarHBondContact O-CB 3.48Å; V270-S274 PolarHBondContact O-N 3.34Å; V270-S274 PolarHBondContact O-OG 3.1Å
271A87.1Confident83.7Confident41 Ų4171.8 Ų71.834%0.33937%0.372SS..Hα-helixtrans-65.8-40.1175.900000112.8Q267 R268 W273 S274 G275Q267-A271 PolarHBondContact O-N 3.36Å; R268-A271 WeakPolarHBondContact O-CB 3.24Å; R268-A271 PolarHBondContact O-N 2.61Å; R268-A271 VanDerWaalsContact O-N 3.17Å; A271-W273 VanDerWaalsContact C-N 3.33Å; A271-S274 PolarHBondContact O-OG 3.45Å; A271-S274 VanDerWaalsContact O-OG 3.05Å; A271-G275 PolarHBondContact O-N 3.07Å; A271-G275 VanDerWaalsContact O-N 3.16Å
272I86.7Confident82.8Confident5 Ų568.6 Ų68.63%0.02637%0.367CS..Hα-helixtrans-63.2-44.6173.4-67.2161.4000109.9V164 R268 A269 G275 F276 G277 V283 T285V164-I272 HydrophobicContact CG2-CD1 3.49Å; V164-I272 VanDerWaalsContact CG2-CD1 3.49Å; R268-I272 HydrophobicContact CG-CD1 4.1Å; R268-I272 WeakPolarHBondContact O-CG1 3.22Å; R268-I272 PolarHBondContact O-N 3.4Å; A269-I272 PolarHBondContact O-N 3.25Å; I272-G275 CarbonylContact O-C 3.59Å; I272-G275 PolarHBondContact O-N 3.09Å; I272-F276 PolarHBondContact O-N 2.9Å; I272-G277 PolarHBondContact O-N 2.96Å; I272-V283 HydrophobicContact CB-CG1 4.2Å; I272-V283 HydrophobicContact CG1-CG1 3.62Å; I272-V283 HydrophobicContact CG2-CG1 4.19Å; I272-T285 HydrophobicContact CD1-CG2 3.71Å; I272-T285 HydrophobicContact CG1-CG2 4.11Å
273W88.6Confident82.4Confident106 Ų10663 Ų6340%0.40234%0.34SS..Hα-helixtrans-64.3-43.4-179.1-177.522000112.2V153 S160 A269 V270 A271 G275 F276V153-W273 HydrophobicContact CG1-CH2 4.4Å; V153-W273 HydrophobicContact CG1-CZ2 3.7Å; S160-W273 WeakPolarHBondContact OG-CA 3.3Å; S160-W273 WeakPolarHBondContact OG-CB 3.28Å; A269-W273 VanDerWaalsContact O-CB 3.28Å; A269-W273 WeakPolarHBondContact O-CB 3.22Å; A269-W273 PolarHBondContact O-N 2.86Å; V270-W273 PolarHBondContact O-N 2.69Å; A271-W273 VanDerWaalsContact C-N 3.33Å; W273-G275 VanDerWaalsContact C-N 3.29Å; W273-G275 PolarHBondContact O-N 3.31Å; W273-F276 PolarHBondContact O-N 3.43Å; W273-F276 VanDerWaalsContact O-N 3.11Å
274S86.4Confident81.8Confident88 Ų8861 Ų6162%0.61534%0.337SS*.Hα-helixtrans-68-28.3177.764.20000113.2V270 A271 F276V270-S274 WeakPolarHBondContact O-CB 3.48Å; V270-S274 PolarHBondContact O-N 3.34Å; V270-S274 PolarHBondContact O-OG 3.1Å; A271-S274 PolarHBondContact O-OG 3.45Å; A271-S274 VanDerWaalsContact O-OG 3.05Å; S274-F276 VanDerWaalsContact C-N 3.29Å
275G83.4Confident81.3Confident8 Ų860.7 Ų60.78%0.08233%0.332CS..THydrogen-bonded Turntrans-83.14.517200000114.8A271 I272 W273 G277 M278 T281A271-G275 PolarHBondContact O-N 3.07Å; A271-G275 VanDerWaalsContact O-N 3.16Å; I272-G275 CarbonylContact O-C 3.59Å; I272-G275 PolarHBondContact O-N 3.09Å; W273-G275 VanDerWaalsContact C-N 3.29Å; W273-G275 PolarHBondContact O-N 3.31Å; G275-G277 PolarHBondContact O-N 3.06Å; G275-M278 PolarHBondContact O-N 3.26Å; G275-M278 VanDerWaalsContact O-N 3.09Å; G275-T281 WeakPolarHBondContact CA-OG1 3.17Å; G275-T281 PolarHBondContact O-OG1 3.11Å
276F82.9Confident80.9Confident163 Ų16359.6 Ų59.672%0.71533%0.329SS*.THydrogen-bonded Turntrans52.124-172.1-61.5-82.4000114.2I272 W273 S274 M278I272-F276 PolarHBondContact O-N 2.9Å; W273-F276 PolarHBondContact O-N 3.43Å; W273-F276 VanDerWaalsContact O-N 3.11Å; S274-F276 VanDerWaalsContact C-N 3.29Å; F276-M278 HydrophobicContact CB-CE 4.29Å; F276-M278 HydrophobicContact CB-CG 4.45Å; F276-M278 PolarHBondContact O-N 3.04Å
277G78.1Confident80.2Confident22 Ų2255.8 Ų55.823%0.22731%0.309CS..THydrogen-bonded Turntrans65.917.4-176.800000115.3I272 G275I272-G277 PolarHBondContact O-N 2.96Å; G275-G277 PolarHBondContact O-N 3.06Å
278M83.2Confident79.9Confident48 Ų4851 Ų5124%0.23629%0.287CS..  trans-85.6134.1179.4-62.8-175.3-6300111.6V202 G275 F276 L280 T281V202-M278 HydrophobicContact CG2-SD 4.19Å; G275-M278 PolarHBondContact O-N 3.26Å; G275-M278 VanDerWaalsContact O-N 3.09Å; F276-M278 HydrophobicContact CB-CE 4.29Å; F276-M278 HydrophobicContact CB-CG 4.45Å; F276-M278 PolarHBondContact O-N 3.04Å; M278-L280 VanDerWaalsContact C-N 3.26Å; M278-L280 PolarHBondContact O-N 2.92Å; M278-T281 HydrophobicContact CB-CG2 4.34Å; M278-T281 HydrophobicContact CE-CG2 4.01Å; M278-T281 PolarHBondContact O-N 3.34Å; M278-T281 VanDerWaalsContact O-N 3.07Å; M278-T281 PolarHBondContact O-OG1 3.32Å
279S77.4Confident79.8Confident20 Ų2047.4 Ų47.414%0.1427%0.273CS..G310 helixtrans-64.2-28.7172.9680000113F194 E198 T281 G282 V283F194-S279 WeakPolarHBondContact CD1-OG 3.43Å; F194-S279 VanDerWaalsContact CE1-OG 3.3Å; F194-S279 WeakPolarHBondContact CE1-OG 3.39Å; E198-S279 WeakPolarHBondContact OE1-CA 3.44Å; E198-S279 VanDerWaalsContact OE1-CB 3.28Å; E198-S279 WeakPolarHBondContact OE1-CB 3.35Å; E198-S279 PolarHBondContact OE1-N 2.99Å; E198-S279 PolarHBondContact OE1-OG 3.18Å; E198-S279 PolarHBondContact OE2-N 2.95Å; E198-S279 PolarHBondContact OE2-OG 3.34Å; S279-T281 PolarHBondContact O-N 3.26Å; S279-T281 VanDerWaalsContact O-N 3.1Å; S279-G282 WeakPolarHBondContact O-CA 3.31Å; S279-G282 PolarHBondContact O-N 3.16Å; S279-V283 WeakPolarHBondContact CA-O 3.18Å
280L73.2Confident79.6Confident106 Ų10650.3 Ų50.356%0.55529%0.287SS*.G310 helixtrans-55.9-24.2170.6-81.6163.6000113.1E198 M278 G282E198-L280 HydrophobicContact CB-CD1 3.63Å; E198-L280 HydrophobicContact CB-CG 4.38Å; E198-L280 VanDerWaalsContact OE2-CB 3.26Å; E198-L280 WeakPolarHBondContact OE2-CB 3.41Å; E198-L280 VanDerWaalsContact OE2-CD1 3.28Å; E198-L280 WeakPolarHBondContact OE2-CD1 3.45Å; E198-L280 WeakPolarHBondContact OE2-CG 3.46Å; E198-L280 PolarHBondContact OE2-N 3.11Å; M278-L280 VanDerWaalsContact C-N 3.26Å; M278-L280 PolarHBondContact O-N 2.92Å; L280-G282 VanDerWaalsContact C-N 3.3Å
281T68.4Low79.2Confident70 Ų7047.1 Ų47.143%0.42927%0.267SS..G310 helixtrans-90.88.417667.60000113.2G275 M278 S279 V283G275-T281 WeakPolarHBondContact CA-OG1 3.17Å; G275-T281 PolarHBondContact O-OG1 3.11Å; M278-T281 HydrophobicContact CB-CG2 4.34Å; M278-T281 HydrophobicContact CE-CG2 4.01Å; M278-T281 PolarHBondContact O-N 3.34Å; M278-T281 VanDerWaalsContact O-N 3.07Å; M278-T281 PolarHBondContact O-OG1 3.32Å; S279-T281 PolarHBondContact O-N 3.26Å; S279-T281 VanDerWaalsContact O-N 3.1Å; T281-V283 VanDerWaalsContact C-N 3.34Å
282G66.6Low79.3Confident51 Ų5145.2 Ų45.253%0.52625%0.251SS..THydrogen-bonded Turntrans80.912.7-178.500000113.9S279 L280 H284S279-G282 WeakPolarHBondContact O-CA 3.31Å; S279-G282 PolarHBondContact O-N 3.16Å; L280-G282 VanDerWaalsContact C-N 3.3Å; G282-H284 PolarHBondContact O-N 3.43Å
283V74.1Confident79.6Confident13 Ų1345.1 Ų45.18%0.07925%0.251CS..  trans-92.2102.4179.4178.80000109.5I272 S279 T281 T285I272-V283 HydrophobicContact CB-CG1 4.2Å; I272-V283 HydrophobicContact CG1-CG1 3.62Å; I272-V283 HydrophobicContact CG2-CG1 4.19Å; S279-V283 WeakPolarHBondContact CA-O 3.18Å; T281-V283 VanDerWaalsContact C-N 3.34Å; V283-T285 HydrophobicContact CG1-CG2 4.06Å
284H72.9Confident79.8Confident126 Ų12642 Ų4258%0.58324%0.241SC*.  trans-102.5120.4166.5-63.9-75.2000109.1G282G282-H284 PolarHBondContact O-N 3.43Å
285T74.5Confident80.3Confident24 Ų2437.8 Ų37.815%0.14721%0.212CC..  trans-117.3151.8173.550.40000108.9M163 I272 V283M163-T285 WeakPolarHBondContact CE-OG1 3.46Å; I272-T285 HydrophobicContact CD1-CG2 3.71Å; I272-T285 HydrophobicContact CG1-CG2 4.11Å; V283-T285 HydrophobicContact CG1-CG2 4.06Å
286C77.3Confident80.9Confident8 Ų837.4 Ų37.45%0.05421%0.208CC..  trans-125.1154.5174.9-50.20000109.5H167 V170 C254 Y289H167-C286 WeakPolarHBondContact CA-O 3.47Å; H167-C286 WeakPolarHBondContact CB-O 3.47Å; H167-C286 VanDerWaalsContact ND1-CB 3.28Å; H167-C286 WeakPolarHBondContact ND1-CB 3.31Å; H167-C286 PolarHBondContact ND1-N 2.87Å; H167-C286 PolarHBondContact ND1-O 3.04Å; V170-C286 HydrophobicContact CG2-CB 4.28Å; C254-C286 HydrophobicContact CB-CB 3.7Å; C254-C286 WeakPolarHBondContact CB-SG 3.33Å; C254-C286 WeakPolarHBondContact SG-CB 3.21Å; C254-C286 CovalentContact SG-SG 2.01Å; C254-C286 PolarHBondContact SG-SG 3.43Å; C286-Y289 WeakPolarHBondContact CB-OH 3.44Å
287G73.5Confident81.5Confident1 Ų131.9 Ų31.91%0.0119%0.187CC..SBendtrans98-2.4174.300000114.5V166 Y289V166-G287 WeakPolarHBondContact CG1-O 3.19Å; G287-Y289 PolarHBondContact O-N 3.46Å
288D81.9Confident82.4Confident12 Ų1231 Ų316%0.06418%0.177CC..  trans-90.333.1179.672.1-59.4000113.7M163 R236 M240 M290 H337M163-D288 HydrophobicContact CE-CB 3.37Å; M163-D288 WeakPolarHBondContact CE-OD2 3.43Å; M163-D288 HydrophobicContact SD-CB 3.27Å; M163-D288 WeakPolarHBondContact SD-CB 3.3Å; R236-D288 IonicContact CZ-OD2 2.81Å; R236-D288 PolarHBondContact NH2-O 3.4Å; R236-D288 IonicContact NH2-OD2 3.13Å; R236-D288 PolarHBondContact NH2-OD2 3.42Å; M240-D288 HydrophobicContact SD-CB 3.66Å; D288-M290 VanDerWaalsContact C-N 3.29Å; D288-M290 PolarHBondContact O-N 3.37Å; D288-H337 IonicContact OD2-CE1 2.83Å
289Y82.6Confident83.1Confident3 Ų328.7 Ų28.71%0.01217%0.166CC..  trans-86.76.1-173.1-44.8-58.6000114.2V247 P248 C286 G287 E336 D341V247-Y289 HydrophobicContact CB-CE2 4.2Å; V247-Y289 HydrophobicContact CG2-CE2 3.97Å; P248-Y289 VanDerWaalsContact CD-CZ 3.43Å; P248-Y289 HydrophobicContact CG-CD1 3.96Å; P248-Y289 HydrophobicContact CG-CE1 3.87Å; C286-Y289 WeakPolarHBondContact CB-OH 3.44Å; G287-Y289 PolarHBondContact O-N 3.46Å; Y289-E336 WeakPolarHBondContact CD1-O 3.41Å; Y289-E336 WeakPolarHBondContact CE1-O 2.86Å; Y289-D341 WeakPolarHBondContact CA-OD2 3.43Å; Y289-D341 WeakPolarHBondContact O-CB 3.44Å
290M82.9Confident84Confident67 Ų6727.8 Ų27.833%0.3316%0.159SC..SBendtrans-115.2108171.8-170.2172.5-171.700108.5M240 L245 D288M240-M290 WeakPolarHBondContact CG-O 3.4Å; L245-M290 HydrophobicContact CD1-CB 4.18Å; D288-M290 VanDerWaalsContact C-N 3.29Å; D288-M290 PolarHBondContact O-N 3.37Å
291F80.8Confident85.2Confident8 Ų822.8 Ų22.84%0.03513%0.133CC..SBendtrans73.999.6-173.4-162-101000114.8V232 R236 G293 V296 D341 I344 A345 I348V232-F291 HydrophobicContact CG1-CE1 3.42Å; V232-F291 VanDerWaalsContact CG1-CE1 3.42Å; V232-F291 HydrophobicContact CG1-CZ 3.47Å; V232-F291 VanDerWaalsContact CG1-CZ 3.47Å; R236-F291 HydrophobicContact CB-CD1 3.46Å; R236-F291 VanDerWaalsContact CB-CD1 3.46Å; R236-F291 HydrophobicContact CB-CE1 4Å; R236-F291 HydrophobicContact CB-CG 4.42Å; R236-F291 WeakPolarHBondContact CD-O 3.48Å; R236-F291 HydrophobicContact CG-CB 4.15Å; R236-F291 HydrophobicContact CG-CD1 3.58Å; R236-F291 HydrophobicContact CG-CE1 4.5Å; R236-F291 HydrophobicContact CG-CG 4.34Å; R236-F291 VanDerWaalsContact CZ-O 3.29Å; R236-F291 PolarHBondContact NE-O 3.12Å; R236-F291 PolarHBondContact NH2-O 3.05Å; F291-G293 PolarHBondContact O-N 3.37Å; F291-V296 HydrophobicContact CD1-CG2 4.13Å; F291-V296 HydrophobicContact CE1-CG2 3.42Å; F291-V296 VanDerWaalsContact CE1-CG2 3.42Å; F291-V296 HydrophobicContact CE2-CG2 4.46Å; F291-V296 HydrophobicContact CZ-CG2 3.6Å; F291-D341 WeakPolarHBondContact CA-OD1 3.05Å; F291-D341 PolarHBondContact N-OD1 3.21Å; F291-I344 HydrophobicContact CD2-CG2 4.07Å; F291-I344 HydrophobicContact CE2-CG2 4.48Å; F291-A345 HydrophobicContact CD2-CB 4.36Å; F291-A345 HydrophobicContact CE2-CB 4.33Å; F291-I348 HydrophobicContact CD2-CD1 4.1Å; F291-I348 HydrophobicContact CE2-CB 3.71Å; F291-I348 HydrophobicContact CE2-CD1 3.65Å; F291-I348 HydrophobicContact CE2-CG1 4.12Å; F291-I348 HydrophobicContact CE2-CG2 3.86Å; F291-I348 HydrophobicContact CZ-CB 4.15Å; F291-I348 HydrophobicContact CZ-CG2 3.87Å
292S90.9Very high86.6Confident0 Ų019.5 Ų19.50%011%0.113CC..  trans-77.3115.1-170.71750000112.3H294 T295 V296 D341S292-H294 PolarHBondContact O-N 3.4Å; S292-T295 PolarHBondContact O-N 3.48Å; S292-T295 PolarHBondContact OG-OG1 3.24Å; S292-T295 VanDerWaalsContact OG-OG1 3.12Å; S292-V296 WeakPolarHBondContact O-CG2 3.34Å; S292-V296 PolarHBondContact O-N 2.85Å; S292-V296 VanDerWaalsContact O-N 3.08Å; S292-D341 PolarHBondContact N-OD1 2.68Å
293G91.9Very high88Confident3 Ų318 Ų183%0.0319%0.092CC..Hα-helixtrans-66.5-37.2-179.400000114R236 F291 T295 V296 V297R236-G293 VanDerWaalsContact NH1-CA 3.27Å; F291-G293 PolarHBondContact O-N 3.37Å; G293-T295 VanDerWaalsContact C-N 3.34Å; G293-T295 PolarHBondContact O-N 3.46Å; G293-V296 WeakPolarHBondContact O-CB 3.48Å; G293-V296 PolarHBondContact O-N 2.93Å; G293-V297 WeakPolarHBondContact O-CG2 3.47Å; G293-V297 PolarHBondContact O-N 2.99Å
294H93.5Very high89.1Confident40 Ų4017.3 Ų17.319%0.1859%0.088CC..Hα-helixtrans-62.4-43.7176.8-68.697.2000111.1F194 E198 S292 V296 V297 L298 I331F194-H294 AromaticContact CZ-CE1 3.63Å; F194-H294 AromaticContact CZ-ND1 3.79Å; E198-H294 IonicContact OE1-NE2 3.63Å; S292-H294 PolarHBondContact O-N 3.4Å; H294-V296 PolarHBondContact O-N 2.96Å; H294-V297 PolarHBondContact O-N 2.95Å; H294-L298 WeakPolarHBondContact O-CB 3.23Å; H294-L298 VanDerWaalsContact O-CG 3.32Å; H294-L298 WeakPolarHBondContact O-CG 3.25Å; H294-L298 PolarHBondContact O-N 3.37Å; H294-I331 HydrophobicContact CB-CD1 3.61Å; H294-I331 HydrophobicContact CB-CG1 4.32Å
295T95.9Very high90.2Very high0 Ų011.3 Ų11.30%06%0.06CC..Hα-helixtrans-62.4-43.4175.9-570000111.6S292 G293 T299 I328 V342 A345 F346S292-T295 PolarHBondContact O-N 3.48Å; S292-T295 PolarHBondContact OG-OG1 3.24Å; S292-T295 VanDerWaalsContact OG-OG1 3.12Å; G293-T295 VanDerWaalsContact C-N 3.34Å; G293-T295 PolarHBondContact O-N 3.46Å; T295-T299 VanDerWaalsContact O-CB 3.23Å; T295-T299 WeakPolarHBondContact O-CB 3.4Å; T295-T299 PolarHBondContact O-N 3Å; T295-T299 PolarHBondContact O-OG1 3.2Å; T295-I328 HydrophobicContact CG2-CD1 4.33Å; T295-I328 HydrophobicContact CG2-CG1 4.16Å; T295-V342 HydrophobicContact CG2-CG1 4.05Å; T295-A345 HydrophobicContact CG2-CB 3.82Å; T295-F346 HydrophobicContact CG2-CB 4.25Å
296V96.1Very high91.1Very high0 Ų012 Ų120%07%0.065CC..Hα-helixtrans-57.6-50.6174.6169.90000110.7M229 V232 F233 F291 S292 G293 H294 T299 M300 A345M229-V296 HydrophobicContact SD-CG1 4.19Å; V232-V296 HydrophobicContact CB-CG1 4.28Å; V232-V296 HydrophobicContact CG1-CB 4.33Å; V232-V296 HydrophobicContact CG1-CG1 3.45Å; V232-V296 VanDerWaalsContact CG1-CG1 3.45Å; V232-V296 HydrophobicContact CG1-CG2 3.84Å; F233-V296 HydrophobicContact CD2-CG1 4.27Å; F233-V296 HydrophobicContact CE2-CB 4.36Å; F233-V296 HydrophobicContact CE2-CG1 3.77Å; F291-V296 HydrophobicContact CD1-CG2 4.13Å; F291-V296 HydrophobicContact CE1-CG2 3.42Å; F291-V296 VanDerWaalsContact CE1-CG2 3.42Å; F291-V296 HydrophobicContact CE2-CG2 4.46Å; F291-V296 HydrophobicContact CZ-CG2 3.6Å; S292-V296 WeakPolarHBondContact O-CG2 3.34Å; S292-V296 PolarHBondContact O-N 2.85Å; S292-V296 VanDerWaalsContact O-N 3.08Å; G293-V296 WeakPolarHBondContact O-CB 3.48Å; G293-V296 PolarHBondContact O-N 2.93Å; H294-V296 PolarHBondContact O-N 2.96Å; V296-T299 PolarHBondContact O-N 3.06Å; V296-M300 WeakPolarHBondContact O-CB 3.39Å; V296-M300 PolarHBondContact O-N 3.29Å; V296-A345 HydrophobicContact CG2-CB 4.11Å
297V96.1Very high91.9Very high47 Ų4715.2 Ų15.229%0.2858%0.079SC..Hα-helixtrans-64.5-47.6-176.4171.50000111.1M229 F233 G293 H294 T299 M300 L301M229-V297 HydrophobicContact CE-CG2 4.22Å; M229-V297 HydrophobicContact SD-CG2 4.26Å; F233-V297 HydrophobicContact CE2-CG2 3.94Å; F233-V297 HydrophobicContact CZ-CG2 3.81Å; G293-V297 WeakPolarHBondContact O-CG2 3.47Å; G293-V297 PolarHBondContact O-N 2.99Å; H294-V297 PolarHBondContact O-N 2.95Å; V297-T299 PolarHBondContact O-N 3.16Å; V297-M300 PolarHBondContact O-N 3.38Å; V297-L301 HydrophobicContact CG1-CD1 3.64Å; V297-L301 HydrophobicContact CG1-CG 4.31Å; V297-L301 VanDerWaalsContact O-CB 3.31Å; V297-L301 WeakPolarHBondContact O-CB 3.34Å; V297-L301 WeakPolarHBondContact O-CG 3.24Å; V297-L301 PolarHBondContact O-N 3.38Å
298L96.9Very high92.8Very high4 Ų415.3 Ų15.32%0.0218%0.079CC..Hα-helixtrans-56-51.5176.2-75.3168.4000111.7C200 G201 L204 H294 L301 N302 N324 I331C200-L298 HydrophobicContact CB-CD2 4.23Å; G201-L298 VanDerWaalsContact CA-CD2 3.47Å; L204-L298 HydrophobicContact CD1-CD2 3.77Å; H294-L298 WeakPolarHBondContact O-CB 3.23Å; H294-L298 VanDerWaalsContact O-CG 3.32Å; H294-L298 WeakPolarHBondContact O-CG 3.25Å; H294-L298 PolarHBondContact O-N 3.37Å; L298-L301 PolarHBondContact O-N 3.03Å; L298-N302 WeakPolarHBondContact O-CB 3.35Å; L298-N302 PolarHBondContact O-N 3.36Å; L298-N324 VanDerWaalsContact C-OD1 3.29Å; L298-N324 PolarHBondContact O-OD1 3Å; L298-I331 HydrophobicContact CD1-CD1 3.75Å
299T97.3Very high93.3Very high0 Ų014.8 Ų14.80%08%0.076CC..Hα-helixtrans-66.9-43.8-176.1-56.40000111T295 V296 V297 N302 F303 N324 F346 T349T295-T299 VanDerWaalsContact O-CB 3.23Å; T295-T299 WeakPolarHBondContact O-CB 3.4Å; T295-T299 PolarHBondContact O-N 3Å; T295-T299 PolarHBondContact O-OG1 3.2Å; V296-T299 PolarHBondContact O-N 3.06Å; V297-T299 PolarHBondContact O-N 3.16Å; T299-N302 PolarHBondContact O-N 3.43Å; T299-F303 HydrophobicContact CG2-CD2 3.98Å; T299-F303 HydrophobicContact CG2-CE1 4.25Å; T299-F303 HydrophobicContact CG2-CE2 3.35Å; T299-F303 HydrophobicContact CG2-CZ 3.53Å; T299-F303 WeakPolarHBondContact O-CG 3.49Å; T299-F303 PolarHBondContact O-N 3.4Å; T299-N324 VanDerWaalsContact CA-OD1 3.28Å; T299-N324 WeakPolarHBondContact CA-OD1 3.43Å; T299-N324 PolarHBondContact N-OD1 3.32Å; T299-N324 PolarHBondContact OG1-OD1 2.91Å; T299-F346 HydrophobicContact CG2-CD2 3.73Å; T299-F346 HydrophobicContact CG2-CE2 3.92Å; T299-T349 HydrophobicContact CG2-CG2 3.87Å
300M97.1Very high93.6Very high0 Ų016 Ų160%08%0.084CC..Hα-helixtrans-62.9-48178.7-168.869.482.700110.8L228 M229 V232 V296 V297 N302 F303 F304 T349 F353L228-M300 HydrophobicContact CB-CE 3.9Å; L228-M300 HydrophobicContact CB-SD 4.18Å; L228-M300 HydrophobicContact CD1-SD 4.46Å; M229-M300 HydrophobicContact CE-CB 3.94Å; M229-M300 HydrophobicContact CE-CG 3.79Å; V232-M300 HydrophobicContact CG2-CE 3.83Å; V296-M300 WeakPolarHBondContact O-CB 3.39Å; V296-M300 PolarHBondContact O-N 3.29Å; V297-M300 PolarHBondContact O-N 3.38Å; M300-N302 PolarHBondContact O-N 3.3Å; M300-F303 PolarHBondContact O-N 3.38Å; M300-F304 HydrophobicContact CG-CD2 3.79Å; M300-F304 HydrophobicContact CG-CE2 3.84Å; M300-F304 WeakPolarHBondContact O-CD2 3.33Å; M300-F304 PolarHBondContact O-N 3.48Å; M300-F304 HydrophobicContact SD-CD2 3.95Å; M300-F304 HydrophobicContact SD-CE2 3.6Å; M300-T349 HydrophobicContact CB-CG2 4.1Å; M300-T349 HydrophobicContact CE-CG2 3.9Å; M300-T349 HydrophobicContact SD-CG2 4.24Å; M300-F353 HydrophobicContact SD-CD2 4.03Å
301L97.4Very high93.8Very high2 Ų223.6 Ų23.61%0.0111%0.109CC..Hα-helixtrans-59.7-45.5176.8-73.4168.7000111.6L204 C205 W208 M225 V297 L298 F303 F304 V305L204-L301 HydrophobicContact CB-CB 4.12Å; L204-L301 HydrophobicContact CB-CD1 4.11Å; C205-L301 HydrophobicContact CB-CD1 3.97Å; W208-L301 HydrophobicContact CB-CD2 3.75Å; W208-L301 HydrophobicContact CG-CD2 3.82Å; M225-L301 HydrophobicContact CE-CD2 3.58Å; V297-L301 HydrophobicContact CG1-CD1 3.64Å; V297-L301 HydrophobicContact CG1-CG 4.31Å; V297-L301 VanDerWaalsContact O-CB 3.31Å; V297-L301 WeakPolarHBondContact O-CB 3.34Å; V297-L301 WeakPolarHBondContact O-CG 3.24Å; V297-L301 PolarHBondContact O-N 3.38Å; L298-L301 PolarHBondContact O-N 3.03Å; L301-F303 PolarHBondContact O-N 3.19Å; L301-F304 PolarHBondContact O-N 3.48Å; L301-V305 WeakPolarHBondContact O-CB 3.43Å; L301-V305 VanDerWaalsContact O-CG2 3.27Å; L301-V305 WeakPolarHBondContact O-CG2 3.35Å; L301-V305 PolarHBondContact O-N 3.12Å
302N97.6Very high94.2Very high0 Ų027.6 Ų27.60%014%0.138CC..Hα-helixtrans-57.4-45.7176.6174.647000112.4L298 T299 M300 V305 T306 S320 W321 N324L298-N302 WeakPolarHBondContact O-CB 3.35Å; L298-N302 PolarHBondContact O-N 3.36Å; T299-N302 PolarHBondContact O-N 3.43Å; M300-N302 PolarHBondContact O-N 3.3Å; N302-V305 PolarHBondContact O-N 3.37Å; N302-T306 WeakPolarHBondContact O-CB 3.38Å; N302-T306 PolarHBondContact O-N 2.97Å; N302-T306 PolarHBondContact O-OG1 3.11Å; N302-S320 WeakPolarHBondContact OD1-CB 3.45Å; N302-S320 PolarHBondContact OD1-O 2.95Å; N302-S320 PolarHBondContact OD1-OG 3.44Å; N302-W321 PolarHBondContact OD1-N 3.16Å; N302-N324 HydrophobicContact CB-CB 3.92Å
303F97Very high94.1Very high19 Ų1931.8 Ų31.88%0.08315%0.154CC..Hα-helixtrans-67.6-41.7178.7-66.8-17.6000112.8T299 M300 L301 T306 E307 W321 F346 T350 F353T299-F303 HydrophobicContact CG2-CD2 3.98Å; T299-F303 HydrophobicContact CG2-CE1 4.25Å; T299-F303 HydrophobicContact CG2-CE2 3.35Å; T299-F303 HydrophobicContact CG2-CZ 3.53Å; T299-F303 WeakPolarHBondContact O-CG 3.49Å; T299-F303 PolarHBondContact O-N 3.4Å; M300-F303 PolarHBondContact O-N 3.38Å; L301-F303 PolarHBondContact O-N 3.19Å; F303-T306 PolarHBondContact O-N 3.49Å; F303-E307 VanDerWaalsContact O-CB 3.31Å; F303-E307 WeakPolarHBondContact O-CB 3.22Å; F303-E307 PolarHBondContact O-N 3.42Å; F303-W321 HydrophobicContact CD1-CH2 4.43Å; F303-W321 HydrophobicContact CD1-CZ2 4.29Å; F303-W321 AromaticContact CE1-CH2 3.59Å; F303-W321 HydrophobicContact CE1-CH2 3.59Å; F303-W321 AromaticContact CE1-CZ2 3.87Å; F303-W321 HydrophobicContact CE1-CZ2 3.87Å; F303-W321 HydrophobicContact CE1-CZ3 4.36Å; F303-W321 HydrophobicContact CZ-CH2 4.47Å; F303-F346 HydrophobicContact CZ-CE2 4.38Å; F303-T350 HydrophobicContact CE2-CG2 4.08Å; F303-T350 WeakPolarHBondContact CE2-OG1 3.4Å; F303-T350 HydrophobicContact CZ-CG2 4.09Å; F303-T350 WeakPolarHBondContact CZ-OG1 3.26Å; F303-F353 HydrophobicContact CB-CD1 4.05Å; F303-F353 HydrophobicContact CB-CD2 3.81Å; F303-F353 HydrophobicContact CB-CE1 3.91Å; F303-F353 HydrophobicContact CB-CE2 3.63Å; F303-F353 HydrophobicContact CB-CG 4.02Å; F303-F353 HydrophobicContact CB-CZ 3.69Å; F303-F353 HydrophobicContact CD2-CB 4.03Å; F303-F353 HydrophobicContact CD2-CD1 4.15Å; F303-F353 HydrophobicContact CD2-CD2 4.31Å; F303-F353 AromaticContact CD2-CG 3.9Å; F303-F353 HydrophobicContact CD2-CG 3.9Å; F303-F353 HydrophobicContact CG-CD1 4.35Å; F303-F353 HydrophobicContact CG-CG 4.37Å
304F96.2Very high94.2Very high0 Ų036.6 Ų36.60%018%0.179CC..Hα-helixtrans-62.8-43.3175.2-93.3-80.4000111.9W208 R224 M225 L228 M300 L301 T306 Y308 F353W208-F304 HydrophobicContact CD2-CB 4.15Å; W208-F304 HydrophobicContact CE3-CB 3.78Å; W208-F304 HydrophobicContact CH2-CB 3.84Å; W208-F304 AromaticContact CH2-CD1 3.44Å; W208-F304 HydrophobicContact CH2-CD1 3.44Å; W208-F304 VanDerWaalsContact CH2-CD1 3.44Å; W208-F304 HydrophobicContact CH2-CE1 4.39Å; W208-F304 HydrophobicContact CH2-CG 4.02Å; W208-F304 HydrophobicContact CZ2-CB 4.17Å; W208-F304 AromaticContact CZ2-CD1 3.72Å; W208-F304 HydrophobicContact CZ2-CD1 3.72Å; W208-F304 HydrophobicContact CZ2-CE1 4.48Å; W208-F304 HydrophobicContact CZ2-CG 4.17Å; W208-F304 HydrophobicContact CZ3-CB 3.63Å; W208-F304 HydrophobicContact CZ3-CD1 4.09Å; W208-F304 HydrophobicContact CZ3-CG 4.33Å; W208-F304 WeakPolarHBondContact CZ3-O 3.33Å; R224-F304 HydrophobicContact CB-CE1 4.16Å; R224-F304 HydrophobicContact CB-CZ 4.3Å; M225-F304 HydrophobicContact CB-CD1 4.44Å; M225-F304 HydrophobicContact CB-CE1 3.94Å; M225-F304 HydrophobicContact CB-CE2 4.23Å; M225-F304 HydrophobicContact CB-CZ 3.85Å; M225-F304 HydrophobicContact CG-CD2 4.37Å; M225-F304 HydrophobicContact CG-CE2 4.18Å; M225-F304 HydrophobicContact CG-CZ 4.31Å; L228-F304 HydrophobicContact CB-CE2 4.47Å; L228-F304 HydrophobicContact CD1-CE2 3.91Å; L228-F304 HydrophobicContact CD1-CZ 3.72Å; M300-F304 HydrophobicContact CG-CD2 3.79Å; M300-F304 HydrophobicContact CG-CE2 3.84Å; M300-F304 WeakPolarHBondContact O-CD2 3.33Å; M300-F304 PolarHBondContact O-N 3.48Å; M300-F304 HydrophobicContact SD-CD2 3.95Å; M300-F304 HydrophobicContact SD-CE2 3.6Å; L301-F304 PolarHBondContact O-N 3.48Å; F304-T306 PolarHBondContact O-N 2.7Å; F304-Y308 AromaticContact CD1-CD2 3.64Å; F304-Y308 HydrophobicContact CD1-CD2 3.64Å; F304-Y308 AromaticContact CD1-CE2 3.4Å; F304-Y308 HydrophobicContact CD1-CE2 3.4Å; F304-Y308 HydrophobicContact CE1-CD2 4.29Å; F304-Y308 AromaticContact CE1-CE2 3.58Å; F304-Y308 HydrophobicContact CE1-CE2 3.58Å; F304-Y308 WeakPolarHBondContact O-CD2 3.46Å; F304-Y308 PolarHBondContact O-N 3.42Å; F304-Y308 VanDerWaalsContact O-N 3.15Å; F304-F353 HydrophobicContact CD2-CD2 4.37Å; F304-F353 AromaticContact CD2-CE2 3.86Å; F304-F353 HydrophobicContact CD2-CE2 3.86Å; F304-F353 HydrophobicContact CE2-CD2 4.21Å; F304-F353 AromaticContact CE2-CE2 3.94Å; F304-F353 HydrophobicContact CE2-CE2 3.94Å; F304-F353 HydrophobicContact CG-CE2 4.21Å; F304-F353 HydrophobicContact CZ-CE2 4.33Å
305V95.9Very high94.3Very high0 Ų042 Ų420%020%0.202CC..Hα-helixtrans-58.8-48.6173.8170.30000110.1I207 W208 L301 N302 T309 I316I207-V305 HydrophobicContact CG2-CG1 4.06Å; I207-V305 HydrophobicContact CG2-CG2 4.04Å; W208-V305 HydrophobicContact CB-CG2 3.99Å; W208-V305 HydrophobicContact CE3-CG2 4.17Å; L301-V305 WeakPolarHBondContact O-CB 3.43Å; L301-V305 VanDerWaalsContact O-CG2 3.27Å; L301-V305 WeakPolarHBondContact O-CG2 3.35Å; L301-V305 PolarHBondContact O-N 3.12Å; N302-V305 PolarHBondContact O-N 3.37Å; V305-T309 HydrophobicContact CG1-CG2 4.43Å; V305-T309 WeakPolarHBondContact O-CB 3.4Å; V305-T309 VanDerWaalsContact O-CG2 3.23Å; V305-T309 WeakPolarHBondContact O-CG2 3.48Å; V305-T309 PolarHBondContact O-N 2.92Å; V305-T309 PolarHBondContact O-OG1 2.91Å; V305-I316 HydrophobicContact CG1-CG2 3.61Å
306T94.9Very high94.2Very high39 Ų3944.1 Ų44.124%0.23921%0.213CC..Hα-helixtrans-66.7-40.9-176.9-53.80000112.9N302 F303 F304N302-T306 WeakPolarHBondContact O-CB 3.38Å; N302-T306 PolarHBondContact O-N 2.97Å; N302-T306 PolarHBondContact O-OG1 3.11Å; F303-T306 PolarHBondContact O-N 3.49Å; F304-T306 PolarHBondContact O-N 2.7Å
307E93.6Very high94.1Very high75 Ų7545.5 Ų45.535%0.3522%0.219SC..Hα-helixtrans-69-44.2-177.9-179.869.3-175.100112.2F303 F353 H357 N391F303-E307 VanDerWaalsContact O-CB 3.31Å; F303-E307 WeakPolarHBondContact O-CB 3.22Å; F303-E307 PolarHBondContact O-N 3.42Å; E307-F353 HydrophobicContact CB-CE1 4.46Å; E307-F353 HydrophobicContact CB-CZ 3.87Å; E307-F353 HydrophobicContact CG-CZ 4.2Å; E307-H357 IonicContact OE1-CD2 3.75Å; E307-N391 PolarHBondContact O-ND2 3.4Å; E307-N391 VanDerWaalsContact O-ND2 3.07Å
308Y92.6Very high94.1Very high2 Ų247.4 Ų47.41%0.00823%0.232CC..Hα-helixtrans-94.6-1-170.7-69.5-69.8000114.4W208 L221 R224 F304 H357 V389 N391 Y393W208-Y308 AromaticContact CH2-CD2 3.86Å; W208-Y308 HydrophobicContact CH2-CD2 3.86Å; W208-Y308 HydrophobicContact CH2-CG 4.43Å; W208-Y308 HydrophobicContact CZ3-CD2 4.04Å; W208-Y308 HydrophobicContact CZ3-CG 4.46Å; L221-Y308 HydrophobicContact CD1-CD1 3.69Å; L221-Y308 HydrophobicContact CD1-CE1 3.59Å; L221-Y308 HydrophobicContact CD1-CG 4.4Å; L221-Y308 HydrophobicContact CD2-CD1 3.73Å; L221-Y308 HydrophobicContact CD2-CD2 4.29Å; L221-Y308 HydrophobicContact CD2-CE1 4.36Å; L221-Y308 HydrophobicContact CD2-CG 3.66Å; L221-Y308 HydrophobicContact CG-CD1 3.55Å; L221-Y308 HydrophobicContact CG-CD2 4.1Å; L221-Y308 HydrophobicContact CG-CE1 3.66Å; L221-Y308 HydrophobicContact CG-CE2 4.22Å; L221-Y308 HydrophobicContact CG-CG 3.76Å; R224-Y308 WeakPolarHBondContact CD-OH 3.27Å; R224-Y308 PolarHBondContact NH1-OH 3.02Å; F304-Y308 AromaticContact CD1-CD2 3.64Å; F304-Y308 HydrophobicContact CD1-CD2 3.64Å; F304-Y308 AromaticContact CD1-CE2 3.4Å; F304-Y308 HydrophobicContact CD1-CE2 3.4Å; F304-Y308 HydrophobicContact CE1-CD2 4.29Å; F304-Y308 AromaticContact CE1-CE2 3.58Å; F304-Y308 HydrophobicContact CE1-CE2 3.58Å; F304-Y308 WeakPolarHBondContact O-CD2 3.46Å; F304-Y308 PolarHBondContact O-N 3.42Å; F304-Y308 VanDerWaalsContact O-N 3.15Å; Y308-H357 AromaticContact CE2-NE2 3.96Å; Y308-H357 AromaticContact CZ-NE2 3.98Å; Y308-H357 PolarHBondContact OH-NE2 3.48Å; Y308-V389 HydrophobicContact CE1-CB 4.31Å; Y308-N391 PolarHBondContact O-OD1 3.5Å; Y308-Y393 PolarHBondContact O-OH 3.42Å
309T92.1Very high94.1Very high2 Ų249.9 Ų49.91%0.01225%0.245CC..SBendtrans-98.2150.3173.753.90000112.7V211 V305 W313 H317 N391 Y393V211-T309 HydrophobicContact CB-CG2 4.49Å; V211-T309 HydrophobicContact CG1-CG2 4.08Å; V211-T309 HydrophobicContact CG2-CG2 3.52Å; V305-T309 HydrophobicContact CG1-CG2 4.43Å; V305-T309 WeakPolarHBondContact O-CB 3.4Å; V305-T309 VanDerWaalsContact O-CG2 3.23Å; V305-T309 WeakPolarHBondContact O-CG2 3.48Å; V305-T309 PolarHBondContact O-N 2.92Å; V305-T309 PolarHBondContact O-OG1 2.91Å; T309-W313 HydrophobicContact CG2-CE3 4.17Å; T309-W313 HydrophobicContact CG2-CZ3 4.49Å; T309-H317 PolarHBondContact OG1-CD2 3.41Å; T309-H317 PolarHBondContact OG1-NE2 2.87Å; T309-N391 PolarHBondContact O-ND2 3.45Å; T309-Y393 VanDerWaalsContact CA-OH 3.29Å; T309-Y393 WeakPolarHBondContact CA-OH 3.47Å; T309-Y393 WeakPolarHBondContact CG2-OH 3.27Å
310P89.8Confident94.1Very high27 Ų2749.9 Ų49.918%0.17525%0.245CC..  trans-63.2146.8179.7-19.933.9000111.4S312 W313 Y393P310-S312 PolarHBondContact O-N 3.48Å; P310-W313 HydrophobicContact CG-CD2 4.28Å; P310-W313 PolarHBondContact O-N 2.93Å; P310-Y393 HydrophobicContact CG-CD2 4.16Å; P310-Y393 HydrophobicContact CG-CE2 3.73Å
311R86.8Confident94.1Very high227 Ų22755.5 Ų55.586%0.85727%0.266SS*.THydrogen-bonded Turntrans-61.9-14.4176.9-66.4-175-179.2161.90.4114.4W313 N314R311-W313 VanDerWaalsContact C-N 3.32Å; R311-N314 PolarHBondContact O-OD1 3.32Å
312S88.3Confident94.1Very high92 Ų9258.3 Ų58.364%0.64328%0.283SS*.THydrogen-bonded Turntrans-77.3-18.7175.353.20000112.9P310 N314P310-S312 PolarHBondContact O-N 3.48Å; S312-N314 PolarHBondContact O-N 3.49Å
313W90.4Very high94.1Very high89 Ų8959.2 Ų59.234%0.33729%0.287SS..  trans-86.550.9-176.2-6810.1000111.8T309 P310 R311 F315 I316 H317 Y393T309-W313 HydrophobicContact CG2-CE3 4.17Å; T309-W313 HydrophobicContact CG2-CZ3 4.49Å; P310-W313 HydrophobicContact CG-CD2 4.28Å; P310-W313 PolarHBondContact O-N 2.93Å; R311-W313 VanDerWaalsContact C-N 3.32Å; W313-F315 PolarHBondContact O-N 3.48Å; W313-F315 VanDerWaalsContact O-N 3.12Å; W313-I316 HydrophobicContact CB-CB 4.46Å; W313-I316 HydrophobicContact CB-CD1 4.32Å; W313-I316 HydrophobicContact CD2-CD1 4.06Å; W313-I316 HydrophobicContact CE3-CD1 3.4Å; W313-I316 HydrophobicContact CG-CD1 4.48Å; W313-I316 HydrophobicContact CZ3-CD1 3.99Å; W313-I316 PolarHBondContact O-N 3.49Å; W313-H317 PolarHBondContact O-N 3.28Å; W313-Y393 HydrophobicContact CH2-CD1 4.29Å; W313-Y393 HydrophobicContact CH2-CE1 4.19Å; W313-Y393 HydrophobicContact CZ3-CE1 4.18Å
314N92.8Very high94.1Very high103 Ų10358.5 Ų58.555%0.55128%0.284SS*.Hα-helixtrans-53.1-37.9-176.4-68.5-21.3000112.6R311 S312 I316 H317 T318R311-N314 PolarHBondContact O-OD1 3.32Å; S312-N314 PolarHBondContact O-N 3.49Å; N314-I316 VanDerWaalsContact C-N 3.34Å; N314-I316 PolarHBondContact O-N 2.96Å; N314-H317 PolarHBondContact O-N 3.49Å; N314-T318 WeakPolarHBondContact O-CB 3.42Å; N314-T318 PolarHBondContact O-N 3.4Å; N314-T318 PolarHBondContact O-OG1 3.49Å
315F94.7Very high94.2Very high155 Ų15564.2 Ų64.268%0.6831%0.314SS*.Hα-helixtrans-58.9-44178.3177.6-100.8000112.6W313 T318 L319W313-F315 PolarHBondContact O-N 3.48Å; W313-F315 VanDerWaalsContact O-N 3.12Å; F315-T318 PolarHBondContact O-N 2.96Å; F315-L319 HydrophobicContact CE1-CD2 4.18Å; F315-L319 HydrophobicContact CZ-CD2 4.44Å; F315-L319 VanDerWaalsContact O-CB 3.23Å; F315-L319 WeakPolarHBondContact O-CB 3.28Å; F315-L319 PolarHBondContact O-N 3.42Å
316I94.6Very high94.2Very high43 Ų4369.3 Ų69.322%0.22134%0.337CS..Hα-helixtrans-67.3-40.2-179.7-70.1169.3000110.2I207 V305 W313 N314 S320I207-I316 HydrophobicContact CG2-CG2 4.15Å; V305-I316 HydrophobicContact CG1-CG2 3.61Å; W313-I316 HydrophobicContact CB-CB 4.46Å; W313-I316 HydrophobicContact CB-CD1 4.32Å; W313-I316 HydrophobicContact CD2-CD1 4.06Å; W313-I316 HydrophobicContact CE3-CD1 3.4Å; W313-I316 HydrophobicContact CG-CD1 4.48Å; W313-I316 HydrophobicContact CZ3-CD1 3.99Å; W313-I316 PolarHBondContact O-N 3.49Å; N314-I316 VanDerWaalsContact C-N 3.34Å; N314-I316 PolarHBondContact O-N 2.96Å; I316-S320 WeakPolarHBondContact O-CB 3.38Å; I316-S320 PolarHBondContact O-N 2.72Å; I316-S320 PolarHBondContact O-OG 3.34Å
317H95.1Very high94.3Very high29 Ų2967.5 Ų67.513%0.13433%0.326CS..Hα-helixtrans-64-48.9175.1-62.4175.6000111.6T309 W313 N314 L319 S320 W321T309-H317 PolarHBondContact OG1-CD2 3.41Å; T309-H317 PolarHBondContact OG1-NE2 2.87Å; W313-H317 PolarHBondContact O-N 3.28Å; N314-H317 PolarHBondContact O-N 3.49Å; H317-L319 VanDerWaalsContact C-N 3.32Å; H317-L319 PolarHBondContact O-N 3.29Å; H317-S320 PolarHBondContact O-N 2.68Å; H317-S320 PolarHBondContact O-OG 3.34Å; H317-W321 VanDerWaalsContact O-CD1 3.24Å; H317-W321 PolarHBondContact O-N 3.19Å
318T96.1Very high94.4Very high88 Ų8865.2 Ų65.254%0.5432%0.315SS..Hα-helixtrans-59.9-46.3178.1-58.10000110.5N314 F315 S320 W321 V322N314-T318 WeakPolarHBondContact O-CB 3.42Å; N314-T318 PolarHBondContact O-N 3.4Å; N314-T318 PolarHBondContact O-OG1 3.49Å; F315-T318 PolarHBondContact O-N 2.96Å; T318-S320 PolarHBondContact O-N 3.48Å; T318-W321 PolarHBondContact O-N 3.35Å; T318-V322 HydrophobicContact CG2-CG2 4.31Å; T318-V322 WeakPolarHBondContact O-CB 3.49Å; T318-V322 WeakPolarHBondContact O-CG2 3.35Å; T318-V322 PolarHBondContact O-N 3.03Å
319L96.6Very high94.5Very high56 Ų5669.2 Ų69.229%0.29333%0.333SS..Hα-helixtrans-60.4-43.9177.2-179.862.2000111.8I207 F315 H317 W321 V322 L323I207-L319 HydrophobicContact CD1-CD2 3.99Å; F315-L319 HydrophobicContact CE1-CD2 4.18Å; F315-L319 HydrophobicContact CZ-CD2 4.44Å; F315-L319 VanDerWaalsContact O-CB 3.23Å; F315-L319 WeakPolarHBondContact O-CB 3.28Å; F315-L319 PolarHBondContact O-N 3.42Å; H317-L319 VanDerWaalsContact C-N 3.32Å; H317-L319 PolarHBondContact O-N 3.29Å; L319-W321 PolarHBondContact O-N 3.5Å; L319-V322 PolarHBondContact O-N 2.94Å; L319-L323 HydrophobicContact CD1-CD1 4.08Å; L319-L323 HydrophobicContact CD1-CG 4.14Å; L319-L323 HydrophobicContact CG-CD1 3.96Å; L319-L323 HydrophobicContact CG-CG 4.42Å; L319-L323 WeakPolarHBondContact O-CB 3.41Å; L319-L323 VanDerWaalsContact O-CG 3.27Å; L319-L323 WeakPolarHBondContact O-CG 3.48Å; L319-L323 PolarHBondContact O-N 3.39Å
320S96.9Very high94.7Very high0 Ų070.7 Ų70.70%034%0.34CS..Hα-helixtrans-65.3-40.8-178.7720000112.3N302 I316 H317 T318 L323 N324N302-S320 WeakPolarHBondContact OD1-CB 3.45Å; N302-S320 PolarHBondContact OD1-O 2.95Å; N302-S320 PolarHBondContact OD1-OG 3.44Å; I316-S320 WeakPolarHBondContact O-CB 3.38Å; I316-S320 PolarHBondContact O-N 2.72Å; I316-S320 PolarHBondContact O-OG 3.34Å; H317-S320 PolarHBondContact O-N 2.68Å; H317-S320 PolarHBondContact O-OG 3.34Å; T318-S320 PolarHBondContact O-N 3.48Å; S320-L323 PolarHBondContact O-N 3.49Å; S320-N324 WeakPolarHBondContact O-CB 3.45Å; S320-N324 PolarHBondContact O-N 3.26Å
321W97.2Very high94.9Very high117 Ų11769.4 Ų69.444%0.44333%0.331SS..Hα-helixtrans-67.9-40.5176.1-84.699.5000112.6N302 F303 H317 T318 L319 N324 L325N302-W321 PolarHBondContact OD1-N 3.16Å; F303-W321 HydrophobicContact CD1-CH2 4.43Å; F303-W321 HydrophobicContact CD1-CZ2 4.29Å; F303-W321 AromaticContact CE1-CH2 3.59Å; F303-W321 HydrophobicContact CE1-CH2 3.59Å; F303-W321 AromaticContact CE1-CZ2 3.87Å; F303-W321 HydrophobicContact CE1-CZ2 3.87Å; F303-W321 HydrophobicContact CE1-CZ3 4.36Å; F303-W321 HydrophobicContact CZ-CH2 4.47Å; H317-W321 VanDerWaalsContact O-CD1 3.24Å; H317-W321 PolarHBondContact O-N 3.19Å; T318-W321 PolarHBondContact O-N 3.35Å; L319-W321 PolarHBondContact O-N 3.5Å; W321-N324 PolarHBondContact O-N 3.14Å; W321-L325 WeakPolarHBondContact O-CB 3.34Å; W321-L325 PolarHBondContact O-N 3.49Å
322V97.8Very high95.2Very high61 Ų6159.6 Ų59.637%0.3730%0.296SS..Hα-helixtrans-61.2-49.5174.5166.30000110.1T318 L319 N324 L325 F326T318-V322 HydrophobicContact CG2-CG2 4.31Å; T318-V322 WeakPolarHBondContact O-CB 3.49Å; T318-V322 WeakPolarHBondContact O-CG2 3.35Å; T318-V322 PolarHBondContact O-N 3.03Å; L319-V322 PolarHBondContact O-N 2.94Å; V322-N324 VanDerWaalsContact C-N 3.3Å; V322-N324 PolarHBondContact O-N 3.07Å; V322-L325 PolarHBondContact O-N 2.88Å; V322-F326 HydrophobicContact CG1-CD2 3.61Å; V322-F326 HydrophobicContact CG1-CE2 3.79Å; V322-F326 VanDerWaalsContact O-CD2 3.31Å; V322-F326 WeakPolarHBondContact O-CD2 3.2Å; V322-F326 PolarHBondContact O-N 2.9Å
323L97.3Very high95.5Very high19 Ų1955.2 Ų55.210%0.09927%0.265CS..Hα-helixtrans-60.8-38.5177.2-71.9171.4000112.3C200 I203 L204 I207 L319 S320 G327C200-L323 HydrophobicContact CB-CD2 4.17Å; I203-L323 HydrophobicContact CB-CD1 4.23Å; I203-L323 HydrophobicContact CG2-CD1 3.58Å; L204-L323 HydrophobicContact CD1-CB 3.91Å; L204-L323 HydrophobicContact CD2-CB 4.28Å; L204-L323 HydrophobicContact CD2-CD1 4.16Å; L204-L323 HydrophobicContact CG-CB 3.9Å; L204-L323 HydrophobicContact CG-CD1 3.96Å; I207-L323 HydrophobicContact CD1-CD1 4.25Å; L319-L323 HydrophobicContact CD1-CD1 4.08Å; L319-L323 HydrophobicContact CD1-CG 4.14Å; L319-L323 HydrophobicContact CG-CD1 3.96Å; L319-L323 HydrophobicContact CG-CG 4.42Å; L319-L323 WeakPolarHBondContact O-CB 3.41Å; L319-L323 VanDerWaalsContact O-CG 3.27Å; L319-L323 WeakPolarHBondContact O-CG 3.48Å; L319-L323 PolarHBondContact O-N 3.39Å; S320-L323 PolarHBondContact O-N 3.49Å; L323-G327 WeakPolarHBondContact O-CA 3.43Å; L323-G327 PolarHBondContact O-N 2.95Å
324N97.4Very high95.5Very high4 Ų451 Ų512%0.02125%0.249CC..Hα-helixtrans-65.3-47.3175.9-174.157.8000111.9L298 T299 N302 S320 W321 V322 G327 I328L298-N324 VanDerWaalsContact C-OD1 3.29Å; L298-N324 PolarHBondContact O-OD1 3Å; T299-N324 VanDerWaalsContact CA-OD1 3.28Å; T299-N324 WeakPolarHBondContact CA-OD1 3.43Å; T299-N324 PolarHBondContact N-OD1 3.32Å; T299-N324 PolarHBondContact OG1-OD1 2.91Å; N302-N324 HydrophobicContact CB-CB 3.92Å; S320-N324 WeakPolarHBondContact O-CB 3.45Å; S320-N324 PolarHBondContact O-N 3.26Å; W321-N324 PolarHBondContact O-N 3.14Å; V322-N324 VanDerWaalsContact C-N 3.3Å; V322-N324 PolarHBondContact O-N 3.07Å; N324-G327 PolarHBondContact O-N 3.37Å; N324-I328 WeakPolarHBondContact O-CB 3.42Å; N324-I328 VanDerWaalsContact O-CG1 3.26Å; N324-I328 WeakPolarHBondContact O-CG1 3.32Å; N324-I328 PolarHBondContact O-N 3.47Å
325L96.9Very high95.4Very high120 Ų12047.2 Ų47.263%0.62823%0.228SC*.Hα-helixtrans-63.8-48.8-179.8-177.667.4000111.7W321 V322 I328 F329W321-L325 WeakPolarHBondContact O-CB 3.34Å; W321-L325 PolarHBondContact O-N 3.49Å; V322-L325 PolarHBondContact O-N 2.88Å; L325-I328 PolarHBondContact O-N 3.33Å; L325-F329 PolarHBondContact O-N 3.4Å
326F96.6Very high94.9Very high108 Ų10841.2 Ų41.247%0.47420%0.202SC..Hα-helixtrans-67.4-38.6177.7-81-72.3000112V322 I328 F329 F330V322-F326 HydrophobicContact CG1-CD2 3.61Å; V322-F326 HydrophobicContact CG1-CE2 3.79Å; V322-F326 VanDerWaalsContact O-CD2 3.31Å; V322-F326 WeakPolarHBondContact O-CD2 3.2Å; V322-F326 PolarHBondContact O-N 2.9Å; F326-I328 PolarHBondContact O-N 3.05Å; F326-F329 PolarHBondContact O-N 3.3Å; F326-F330 HydrophobicContact CB-CD2 4.35Å; F326-F330 HydrophobicContact CB-CE2 3.98Å; F326-F330 HydrophobicContact CD1-CZ 4.32Å; F326-F330 WeakPolarHBondContact O-CB 3.43Å; F326-F330 WeakPolarHBondContact O-CD2 3.36Å; F326-F330 WeakPolarHBondContact O-CG 3.45Å; F326-F330 PolarHBondContact O-N 2.86Å
327G96.6Very high94.7Very high0 Ų039.3 Ų39.30%019%0.192CC..Hα-helixtrans-59.2-46174.600000112L323 N324 F330 I331L323-G327 WeakPolarHBondContact O-CA 3.43Å; L323-G327 PolarHBondContact O-N 2.95Å; N324-G327 PolarHBondContact O-N 3.37Å; G327-F330 PolarHBondContact O-N 3.25Å; G327-I331 VanDerWaalsContact O-CG1 3.3Å; G327-I331 WeakPolarHBondContact O-CG1 3.3Å; G327-I331 PolarHBondContact O-N 2.92Å
328I95.9Very high94.6Very high27 Ų2738.2 Ų38.214%0.13819%0.187CC..Hα-helixtrans-60.7-46.2174.5-73.4171.6000111.3T295 N324 L325 F326 F330 I331 L332 V342 F346T295-I328 HydrophobicContact CG2-CD1 4.33Å; T295-I328 HydrophobicContact CG2-CG1 4.16Å; N324-I328 WeakPolarHBondContact O-CB 3.42Å; N324-I328 VanDerWaalsContact O-CG1 3.26Å; N324-I328 WeakPolarHBondContact O-CG1 3.32Å; N324-I328 PolarHBondContact O-N 3.47Å; L325-I328 PolarHBondContact O-N 3.33Å; F326-I328 PolarHBondContact O-N 3.05Å; I328-F330 VanDerWaalsContact C-N 3.34Å; I328-F330 PolarHBondContact O-N 2.92Å; I328-I331 PolarHBondContact O-N 3Å; I328-L332 PolarHBondContact O-N 3Å; I328-V342 HydrophobicContact CG2-CG1 3.63Å; I328-F346 HydrophobicContact CD1-CD2 4.03Å
329F95.4Very high94.5Very high87 Ų8736 Ų3638%0.38218%0.175SC..Hα-helixtrans-59.5-44.9176.6171.2-99.6000112F183 L325 F326 I331 L332 A333F183-F329 HydrophobicContact CZ-CD2 4.41Å; F183-F329 HydrophobicContact CZ-CE2 4.33Å; L325-F329 PolarHBondContact O-N 3.4Å; F326-F329 PolarHBondContact O-N 3.3Å; F329-I331 PolarHBondContact O-N 3.37Å; F329-L332 PolarHBondContact O-N 2.87Å; F329-A333 HydrophobicContact CE1-CB 4.3Å; F329-A333 HydrophobicContact CZ-CB 4.34Å; F329-A333 WeakPolarHBondContact O-CB 3.42Å; F329-A333 PolarHBondContact O-N 3.43Å
330F95.8Very high94.3Very high33 Ų3337.7 Ų37.715%0.14518%0.183CC..Hα-helixtrans-66.8-33.6-179.9-71.7-37.4000113.3W192 A193 M196 A197 F326 G327 I328 L332 A334W192-F330 HydrophobicContact CH2-CE1 4.33Å; W192-F330 HydrophobicContact CZ3-CD1 4.44Å; W192-F330 AromaticContact CZ3-CE1 3.95Å; W192-F330 HydrophobicContact CZ3-CE1 3.95Å; W192-F330 HydrophobicContact CZ3-CZ 4.46Å; A193-F330 HydrophobicContact CB-CB 4.21Å; A193-F330 HydrophobicContact CB-CD1 4.11Å; A193-F330 WeakPolarHBondContact CB-O 3.46Å; A193-F330 WeakPolarHBondContact O-CB 3.5Å; M196-F330 HydrophobicContact CB-CD2 3.76Å; M196-F330 HydrophobicContact CB-CE2 3.88Å; M196-F330 HydrophobicContact CB-CG 4.18Å; M196-F330 HydrophobicContact CB-CZ 4.39Å; A197-F330 HydrophobicContact CB-CB 3.78Å; F326-F330 HydrophobicContact CB-CD2 4.35Å; F326-F330 HydrophobicContact CB-CE2 3.98Å; F326-F330 HydrophobicContact CD1-CZ 4.32Å; F326-F330 WeakPolarHBondContact O-CB 3.43Å; F326-F330 WeakPolarHBondContact O-CD2 3.36Å; F326-F330 WeakPolarHBondContact O-CG 3.45Å; F326-F330 PolarHBondContact O-N 2.86Å; G327-F330 PolarHBondContact O-N 3.25Å; I328-F330 VanDerWaalsContact C-N 3.34Å; I328-F330 PolarHBondContact O-N 2.92Å; F330-L332 VanDerWaalsContact C-N 3.34Å; F330-A334 WeakPolarHBondContact O-CB 3.48Å; F330-A334 PolarHBondContact O-N 3.31Å; F330-A334 VanDerWaalsContact O-N 3.1Å
331I93.8Very high94.1Very high0 Ų037.8 Ų37.80%018%0.184CC..Hα-helixtrans-59.2-48171.6-70.9165.9000110.2A197 H294 L298 G327 I328 F329 A334 H337 V342A197-I331 HydrophobicContact CB-CG1 3.76Å; H294-I331 HydrophobicContact CB-CD1 3.61Å; H294-I331 HydrophobicContact CB-CG1 4.32Å; L298-I331 HydrophobicContact CD1-CD1 3.75Å; G327-I331 VanDerWaalsContact O-CG1 3.3Å; G327-I331 WeakPolarHBondContact O-CG1 3.3Å; G327-I331 PolarHBondContact O-N 2.92Å; I328-I331 PolarHBondContact O-N 3Å; F329-I331 PolarHBondContact O-N 3.37Å; I331-A334 PolarHBondContact O-N 2.89Å; I331-H337 HydrophobicContact CG2-CB 4.04Å; I331-V342 HydrophobicContact CG2-CG2 3.78Å
332L93.8Very high94Very high21 Ų2132.5 Ų32.511%0.1117%0.165CC..Hα-helixtrans-67.7-45.1179.9-65.3173.7000111.8F183 I328 F329 F330 A334 H335 V342F183-L332 HydrophobicContact CD1-CB 3.79Å; F183-L332 HydrophobicContact CD1-CD1 4.47Å; F183-L332 HydrophobicContact CD2-CD1 4.43Å; F183-L332 HydrophobicContact CE1-CB 3.35Å; F183-L332 HydrophobicContact CE1-CD1 4.34Å; F183-L332 HydrophobicContact CE1-CG 4.4Å; F183-L332 HydrophobicContact CE2-CD1 4.26Å; F183-L332 HydrophobicContact CZ-CB 3.81Å; F183-L332 HydrophobicContact CZ-CD1 4.2Å; I328-L332 PolarHBondContact O-N 3Å; F329-L332 PolarHBondContact O-N 2.87Å; F330-L332 VanDerWaalsContact C-N 3.34Å; L332-A334 PolarHBondContact O-N 2.67Å; L332-H335 PolarHBondContact O-CD2 3.07Å; L332-H335 VanDerWaalsContact O-CD2 3.29Å; L332-H335 PolarHBondContact O-N 3.11Å; L332-V342 HydrophobicContact CD1-CG1 4.46Å; L332-V342 HydrophobicContact CD2-CB 3.89Å; L332-V342 HydrophobicContact CD2-CG1 4.3Å; L332-V342 HydrophobicContact CD2-CG2 3.54Å; L332-V342 HydrophobicContact CG-CB 4.45Å; L332-V342 HydrophobicContact CG-CG1 4.34Å; L332-V342 HydrophobicContact CG-CG2 4.15Å
333A93.8Very high93.9Very high0 Ų035.8 Ų35.80%017%0.174CC..Hα-helixtrans-64.4-21-179.700000113.5I190 A193 F329 H335I190-A333 HydrophobicContact CB-CB 4.49Å; I190-A333 HydrophobicContact CD1-CB 4.21Å; I190-A333 HydrophobicContact CG1-CB 4.47Å; I190-A333 PolarHBondContact N-O 3.39Å; A193-A333 HydrophobicContact CB-CB 4.1Å; F329-A333 HydrophobicContact CE1-CB 4.3Å; F329-A333 HydrophobicContact CZ-CB 4.34Å; F329-A333 WeakPolarHBondContact O-CB 3.42Å; F329-A333 PolarHBondContact O-N 3.43Å; A333-H335 VanDerWaalsContact C-N 3.31Å; A333-H335 PolarHBondContact O-CD2 3.09Å
334A90.6Very high93.7Very high1 Ų138.2 Ų38.21%0.00819%0.186CC..THydrogen-bonded Turntrans-76.6-17.4174.600000114R189 A193 F194 F330 I331 L332 E336R189-A334 PolarHBondContact NE-O 2.95Å; A193-A334 HydrophobicContact CB-CB 4.24Å; F194-A334 HydrophobicContact CB-CB 3.63Å; F194-A334 HydrophobicContact CD2-CB 4.03Å; F194-A334 HydrophobicContact CG-CB 4.27Å; F330-A334 WeakPolarHBondContact O-CB 3.48Å; F330-A334 PolarHBondContact O-N 3.31Å; F330-A334 VanDerWaalsContact O-N 3.1Å; I331-A334 PolarHBondContact O-N 2.89Å; L332-A334 PolarHBondContact O-N 2.67Å; A334-E336 HydrophobicContact CB-CB 4.49Å; A334-E336 HydrophobicContact CB-CG 3.76Å; A334-E336 PolarHBondContact O-N 2.72Å
335H90.4Very high93.6Very high22 Ų2238 Ų3810%0.10219%0.185CC..THydrogen-bonded Turntrans61.629.1-175.1-63.2-150.7000113.1L184 V187 R189 H251 L332 A333L184-H335 HydrophobicContact CD2-CB 3.69Å; L184-H335 PolarHBondContact O-CE1 3.04Å; V187-H335 PolarHBondContact O-CE1 2.93Å; V187-H335 PolarHBondContact O-NE2 3.24Å; R189-H335 HydrophobicContact CG-CB 4.22Å; H251-H335 PolarHBondContact CE1-O 2.98Å; L332-H335 PolarHBondContact O-CD2 3.07Å; L332-H335 VanDerWaalsContact O-CD2 3.29Å; L332-H335 PolarHBondContact O-N 3.11Å; A333-H335 VanDerWaalsContact C-N 3.31Å; A333-H335 PolarHBondContact O-CD2 3.09Å
336E84.6Confident93.5Very high29 Ų2935.6 Ų35.614%0.13617%0.17CC..SBendtrans-91.1-20.3178.4-60.1-69.3143.400112.1F194 P248 H251 L252 Y289 A334F194-E336 HydrophobicContact CB-CG 4.38Å; F194-E336 HydrophobicContact CD2-CB 3.97Å; F194-E336 HydrophobicContact CD2-CG 3.72Å; F194-E336 HydrophobicContact CE2-CB 3.93Å; F194-E336 HydrophobicContact CE2-CG 4.12Å; F194-E336 HydrophobicContact CG-CG 3.98Å; P248-E336 WeakPolarHBondContact CG-O 3.23Å; H251-E336 IonicContact CD2-OE1 3.89Å; H251-E336 PolarHBondContact CD2-OE1 2.91Å; H251-E336 IonicContact CE1-OE1 3.72Å; H251-E336 IonicContact NE2-OE1 2.68Å; H251-E336 PolarHBondContact NE2-OE1 2.7Å; L252-E336 WeakPolarHBondContact CD2-OE2 3.11Å; L252-E336 WeakPolarHBondContact CG-OE2 3.35Å; Y289-E336 WeakPolarHBondContact CD1-O 3.41Å; Y289-E336 WeakPolarHBondContact CE1-O 2.86Å; A334-E336 HydrophobicContact CB-CB 4.49Å; A334-E336 HydrophobicContact CB-CG 3.76Å; A334-E336 PolarHBondContact O-N 2.72Å
337H90.8Very high93.5Very high4 Ų435.9 Ų35.92%0.01917%0.169CC..SBendtrans-134.5150.3177.6-73.9-81000110.8D288 I331 D341 V342D288-H337 IonicContact OD2-CE1 2.83Å; I331-H337 HydrophobicContact CG2-CB 4.04Å; H337-D341 HydrophobicContact CB-CB 4.49Å; H337-D341 IonicContact CE1-OD2 3.76Å; H337-D341 IonicContact CG-OD2 2.94Å; H337-D341 IonicContact ND1-OD2 3.64Å; H337-D341 PolarHBondContact ND1-OD2 3.39Å; H337-V342 HydrophobicContact CB-CG2 4.17Å
338Y92.7Very high93.5Very high6 Ų637.8 Ų37.82%0.02418%0.179CC..  trans-69.1153.5170.2-67.1-74.4000111.5L179 D181 L184 L245 S246 P248 I340 D341 V342L179-Y338 HydrophobicContact CB-CE1 3.96Å; L179-Y338 PolarHBondContact N-OH 3.39Å; L179-Y338 VanDerWaalsContact N-OH 3.16Å; D181-Y338 HydrophobicContact CB-CD1 4.21Å; L184-Y338 HydrophobicContact CD1-CD1 3.78Å; L184-Y338 HydrophobicContact CD1-CE1 4.27Å; L245-Y338 HydrophobicContact CB-CE2 4.47Å; S246-Y338 VanDerWaalsContact O-CE2 3.26Å; S246-Y338 WeakPolarHBondContact O-CE2 3.34Å; S246-Y338 PolarHBondContact O-OH 3.41Å; S246-Y338 PolarHBondContact OG-OH 3.38Å; P248-Y338 HydrophobicContact CB-CD1 4.17Å; P248-Y338 HydrophobicContact CB-CD2 4.35Å; P248-Y338 HydrophobicContact CB-CE1 3.88Å; P248-Y338 HydrophobicContact CB-CE2 4.06Å; P248-Y338 HydrophobicContact CB-CG 4.4Å; Y338-I340 VanDerWaalsContact C-N 3.29Å; Y338-I340 PolarHBondContact O-N 2.96Å; Y338-D341 WeakPolarHBondContact O-CB 3.37Å; Y338-D341 PolarHBondContact O-N 3.31Å; Y338-D341 VanDerWaalsContact O-N 3.11Å; Y338-V342 PolarHBondContact O-N 2.62Å
339S93.8Very high93.4Very high40 Ų4036.5 Ų36.528%0.2817%0.172SC..Hα-helixtrans-61.3-38.4175.564.90000112.4D181 D341 V342 F343D181-S339 WeakPolarHBondContact OD1-CB 3.27Å; D181-S339 PolarHBondContact OD1-OG 3.19Å; D181-S339 WeakPolarHBondContact OD2-CB 3.39Å; D181-S339 PolarHBondContact OD2-N 2.95Å; D181-S339 PolarHBondContact OD2-OG 2.76Å; S339-D341 VanDerWaalsContact C-N 3.25Å; S339-D341 PolarHBondContact O-N 3.38Å; S339-V342 PolarHBondContact O-N 3.27Å; S339-F343 WeakPolarHBondContact O-CB 3.29Å; S339-F343 PolarHBondContact O-N 3.11Å
340I93Very high93.4Very high92 Ų9234 Ų3447%0.47216%0.164SC..Hα-helixtrans-63.3-34.4175.2-167.561.3000112.1Y338 F343 I344Y338-I340 VanDerWaalsContact C-N 3.29Å; Y338-I340 PolarHBondContact O-N 2.96Å; I340-F343 HydrophobicContact CD1-CD1 4.41Å; I340-F343 PolarHBondContact O-N 2.61Å; I340-I344 HydrophobicContact CD1-CD1 4.05Å; I340-I344 HydrophobicContact CD1-CG1 4.15Å; I340-I344 HydrophobicContact CG1-CD1 3.78Å; I340-I344 HydrophobicContact CG1-CG1 4.26Å; I340-I344 WeakPolarHBondContact O-CB 3.49Å; I340-I344 VanDerWaalsContact O-CG1 3.3Å; I340-I344 WeakPolarHBondContact O-CG1 3.44Å; I340-I344 PolarHBondContact O-N 3.41Å
341D92.4Very high93.4Very high3 Ų337.1 Ų37.12%0.01618%0.175CC..Hα-helixtrans-63.9-49.5-179.9-173.98.8000110.6Y289 F291 S292 H337 Y338 S339 A345Y289-D341 WeakPolarHBondContact CA-OD2 3.43Å; Y289-D341 WeakPolarHBondContact O-CB 3.44Å; F291-D341 WeakPolarHBondContact CA-OD1 3.05Å; F291-D341 PolarHBondContact N-OD1 3.21Å; S292-D341 PolarHBondContact N-OD1 2.68Å; H337-D341 HydrophobicContact CB-CB 4.49Å; H337-D341 IonicContact CE1-OD2 3.76Å; H337-D341 IonicContact CG-OD2 2.94Å; H337-D341 IonicContact ND1-OD2 3.64Å; H337-D341 PolarHBondContact ND1-OD2 3.39Å; Y338-D341 WeakPolarHBondContact O-CB 3.37Å; Y338-D341 PolarHBondContact O-N 3.31Å; Y338-D341 VanDerWaalsContact O-N 3.11Å; S339-D341 VanDerWaalsContact C-N 3.25Å; S339-D341 PolarHBondContact O-N 3.38Å; D341-A345 VanDerWaalsContact O-CB 3.25Å; D341-A345 WeakPolarHBondContact O-CB 3.33Å; D341-A345 PolarHBondContact O-N 2.64Å
342V94.8Very high93.4Very high6 Ų639.3 Ų39.34%0.03619%0.186CC..Hα-helixtrans-64-43176.1174.90000111.5T295 I328 I331 L332 H337 Y338 S339 A345 F346T295-V342 HydrophobicContact CG2-CG1 4.05Å; I328-V342 HydrophobicContact CG2-CG1 3.63Å; I331-V342 HydrophobicContact CG2-CG2 3.78Å; L332-V342 HydrophobicContact CD1-CG1 4.46Å; L332-V342 HydrophobicContact CD2-CB 3.89Å; L332-V342 HydrophobicContact CD2-CG1 4.3Å; L332-V342 HydrophobicContact CD2-CG2 3.54Å; L332-V342 HydrophobicContact CG-CB 4.45Å; L332-V342 HydrophobicContact CG-CG1 4.34Å; L332-V342 HydrophobicContact CG-CG2 4.15Å; H337-V342 HydrophobicContact CB-CG2 4.17Å; Y338-V342 PolarHBondContact O-N 2.62Å; S339-V342 PolarHBondContact O-N 3.27Å; V342-A345 PolarHBondContact O-N 3.41Å; V342-F346 WeakPolarHBondContact O-CB 3.49Å; V342-F346 PolarHBondContact O-N 3.37Å
343F94.8Very high93.4Very high130 Ų13039.2 Ų39.257%0.5719%0.185SC*.Hα-helixtrans-62.8-48.3179.5177.5-100.3000112.6S339 I340 A345 F346 Y347S339-F343 WeakPolarHBondContact O-CB 3.29Å; S339-F343 PolarHBondContact O-N 3.11Å; I340-F343 HydrophobicContact CD1-CD1 4.41Å; I340-F343 PolarHBondContact O-N 2.61Å; F343-A345 VanDerWaalsContact C-N 3.34Å; F343-A345 PolarHBondContact O-N 3.2Å; F343-F346 PolarHBondContact O-N 2.95Å; F343-Y347 WeakPolarHBondContact O-CB 3.48Å; F343-Y347 PolarHBondContact O-N 3.34Å
344I94.5Very high93.3Very high69 Ų6943.2 Ų43.235%0.35421%0.206SC..Hα-helixtrans-65.3-40.9179.1-66.4174.4000110.2F291 I340 F346 Y347 I348F291-I344 HydrophobicContact CD2-CG2 4.07Å; F291-I344 HydrophobicContact CE2-CG2 4.48Å; I340-I344 HydrophobicContact CD1-CD1 4.05Å; I340-I344 HydrophobicContact CD1-CG1 4.15Å; I340-I344 HydrophobicContact CG1-CD1 3.78Å; I340-I344 HydrophobicContact CG1-CG1 4.26Å; I340-I344 WeakPolarHBondContact O-CB 3.49Å; I340-I344 VanDerWaalsContact O-CG1 3.3Å; I340-I344 WeakPolarHBondContact O-CG1 3.44Å; I340-I344 PolarHBondContact O-N 3.41Å; I344-F346 PolarHBondContact O-N 3.44Å; I344-Y347 PolarHBondContact O-N 3.21Å; I344-I348 HydrophobicContact CG2-CD1 3.61Å; I344-I348 HydrophobicContact CG2-CG1 4.11Å; I344-I348 WeakPolarHBondContact O-CB 3.38Å; I344-I348 WeakPolarHBondContact O-CG1 3.35Å; I344-I348 PolarHBondContact O-N 3.05Å
345A94.9Very high93.3Very high0 Ų048.9 Ų48.90%023%0.228CC..Hα-helixtrans-57.3-48.4175.300000112.2F291 T295 V296 D341 V342 F343 T349F291-A345 HydrophobicContact CD2-CB 4.36Å; F291-A345 HydrophobicContact CE2-CB 4.33Å; T295-A345 HydrophobicContact CG2-CB 3.82Å; V296-A345 HydrophobicContact CG2-CB 4.11Å; D341-A345 VanDerWaalsContact O-CB 3.25Å; D341-A345 WeakPolarHBondContact O-CB 3.33Å; D341-A345 PolarHBondContact O-N 2.64Å; V342-A345 PolarHBondContact O-N 3.41Å; F343-A345 VanDerWaalsContact C-N 3.34Å; F343-A345 PolarHBondContact O-N 3.2Å; A345-T349 VanDerWaalsContact O-CB 3.23Å; A345-T349 WeakPolarHBondContact O-CB 3.38Å; A345-T349 PolarHBondContact O-N 3.07Å; A345-T349 VanDerWaalsContact O-N 3.11Å; A345-T349 PolarHBondContact O-OG1 2.81Å
346F95.6Very high93.3Very high69 Ų6948.6 Ų48.630%0.30323%0.226SC..Hα-helixtrans-61.7-46175.6178.8-99.1000111.9T295 T299 F303 I328 V342 F343 I344 T350T295-F346 HydrophobicContact CG2-CB 4.25Å; T299-F346 HydrophobicContact CG2-CD2 3.73Å; T299-F346 HydrophobicContact CG2-CE2 3.92Å; F303-F346 HydrophobicContact CZ-CE2 4.38Å; I328-F346 HydrophobicContact CD1-CD2 4.03Å; V342-F346 WeakPolarHBondContact O-CB 3.49Å; V342-F346 PolarHBondContact O-N 3.37Å; F343-F346 PolarHBondContact O-N 2.95Å; I344-F346 PolarHBondContact O-N 3.44Å; F346-T350 WeakPolarHBondContact O-CB 3.41Å; F346-T350 PolarHBondContact O-N 3.16Å; F346-T350 PolarHBondContact O-OG1 3.5Å
347Y96.1Very high93.5Very high114 Ų11447.6 Ų47.645%0.44722%0.221SC..Hα-helixtrans-62.4-53.1-178-179.1-99.1000112.6F343 I344 T349 T350 R351F343-Y347 WeakPolarHBondContact O-CB 3.48Å; F343-Y347 PolarHBondContact O-N 3.34Å; I344-Y347 PolarHBondContact O-N 3.21Å; Y347-T349 PolarHBondContact O-N 3.28Å; Y347-T350 PolarHBondContact O-N 3.4Å; Y347-R351 HydrophobicContact CD1-CG 4.29Å; Y347-R351 HydrophobicContact CD2-CG 4.41Å; Y347-R351 HydrophobicContact CE1-CG 3.9Å; Y347-R351 HydrophobicContact CE2-CG 4.03Å; Y347-R351 WeakPolarHBondContact O-CG 3.49Å; Y347-R351 PolarHBondContact O-N 3.43Å; Y347-R351 PolarHBondContact OH-NE 3.37Å
348I95.1Very high93.3Very high41 Ų4150.8 Ų50.821%0.2124%0.241CC..Hα-helixtrans-63.9-42.9-178.7-69.5-178.2000110.5L235 F291 I344 T350 R351 L352L235-I348 HydrophobicContact CD2-CD1 4.21Å; L235-I348 HydrophobicContact CD2-CG2 4.09Å; F291-I348 HydrophobicContact CD2-CD1 4.1Å; F291-I348 HydrophobicContact CE2-CB 3.71Å; F291-I348 HydrophobicContact CE2-CD1 3.65Å; F291-I348 HydrophobicContact CE2-CG1 4.12Å; F291-I348 HydrophobicContact CE2-CG2 3.86Å; F291-I348 HydrophobicContact CZ-CB 4.15Å; F291-I348 HydrophobicContact CZ-CG2 3.87Å; I344-I348 HydrophobicContact CG2-CD1 3.61Å; I344-I348 HydrophobicContact CG2-CG1 4.11Å; I344-I348 WeakPolarHBondContact O-CB 3.38Å; I344-I348 WeakPolarHBondContact O-CG1 3.35Å; I344-I348 PolarHBondContact O-N 3.05Å; I348-T350 VanDerWaalsContact C-N 3.34Å; I348-T350 PolarHBondContact O-N 2.88Å; I348-R351 PolarHBondContact O-N 3.24Å; I348-L352 HydrophobicContact CG2-CD1 3.6Å; I348-L352 HydrophobicContact CG2-CG 4.27Å; I348-L352 WeakPolarHBondContact O-CB 3.49Å; I348-L352 WeakPolarHBondContact O-CG 3.36Å; I348-L352 PolarHBondContact O-N 3.35Å
349T95.8Very high92.9Very high0 Ų051.5 Ų51.50%025%0.245CC..Hα-helixtrans-59.5-46.5177.6-58.30000110.8T299 M300 A345 Y347 F353T299-T349 HydrophobicContact CG2-CG2 3.87Å; M300-T349 HydrophobicContact CB-CG2 4.1Å; M300-T349 HydrophobicContact CE-CG2 3.9Å; M300-T349 HydrophobicContact SD-CG2 4.24Å; A345-T349 VanDerWaalsContact O-CB 3.23Å; A345-T349 WeakPolarHBondContact O-CB 3.38Å; A345-T349 PolarHBondContact O-N 3.07Å; A345-T349 VanDerWaalsContact O-N 3.11Å; A345-T349 PolarHBondContact O-OG1 2.81Å; Y347-T349 PolarHBondContact O-N 3.28Å; T349-F353 VanDerWaalsContact O-CB 3.24Å; T349-F353 WeakPolarHBondContact O-CB 3.34Å; T349-F353 PolarHBondContact O-N 3.13Å
350T95.3Very high92.4Very high35 Ų3549.6 Ų49.622%0.21523%0.232CC..Hα-helixtrans-61.8-46.3177.2-55.40000112.4F303 F346 Y347 I348 F353 L354F303-T350 HydrophobicContact CE2-CG2 4.08Å; F303-T350 WeakPolarHBondContact CE2-OG1 3.4Å; F303-T350 HydrophobicContact CZ-CG2 4.09Å; F303-T350 WeakPolarHBondContact CZ-OG1 3.26Å; F346-T350 WeakPolarHBondContact O-CB 3.41Å; F346-T350 PolarHBondContact O-N 3.16Å; F346-T350 PolarHBondContact O-OG1 3.5Å; Y347-T350 PolarHBondContact O-N 3.4Å; I348-T350 VanDerWaalsContact C-N 3.34Å; I348-T350 PolarHBondContact O-N 2.88Å; T350-F353 PolarHBondContact O-N 3.03Å; T350-L354 WeakPolarHBondContact O-CB 3.44Å; T350-L354 PolarHBondContact O-N 3.27Å
351R95.3Very high91.9Very high97 Ų9748 Ų4837%0.36622%0.224SC..Hα-helixtrans-67.2-45.3-179.4-67.9-61.7179.3-149.4-1.6112.2Y347 I348 F353 L354 Y355Y347-R351 HydrophobicContact CD1-CG 4.29Å; Y347-R351 HydrophobicContact CD2-CG 4.41Å; Y347-R351 HydrophobicContact CE1-CG 3.9Å; Y347-R351 HydrophobicContact CE2-CG 4.03Å; Y347-R351 WeakPolarHBondContact O-CG 3.49Å; Y347-R351 PolarHBondContact O-N 3.43Å; Y347-R351 PolarHBondContact OH-NE 3.37Å; I348-R351 PolarHBondContact O-N 3.24Å; R351-F353 VanDerWaalsContact C-N 3.34Å; R351-F353 PolarHBondContact O-N 3.25Å; R351-L354 PolarHBondContact O-N 3.2Å; R351-Y355 HydrophobicContact CB-CE2 4.19Å; R351-Y355 WeakPolarHBondContact O-CB 3.4Å; R351-Y355 WeakPolarHBondContact O-CD2 3.26Å; R351-Y355 PolarHBondContact O-N 2.87Å
352L93Very high91.2Very high46 Ų4650.5 Ų50.524%0.24124%0.24CC..Hα-helixtrans-63.3-41.8177.3-75.4172.2000111.6V232 I348 Y356V232-L352 HydrophobicContact CG2-CD1 3.55Å; I348-L352 HydrophobicContact CG2-CD1 3.6Å; I348-L352 HydrophobicContact CG2-CG 4.27Å; I348-L352 WeakPolarHBondContact O-CB 3.49Å; I348-L352 WeakPolarHBondContact O-CG 3.36Å; I348-L352 PolarHBondContact O-N 3.35Å; L352-Y356 WeakPolarHBondContact O-CB 3.39Å; L352-Y356 PolarHBondContact O-N 3.46Å
353F94.4Very high89.7Confident20 Ų2057 Ų579%0.08826%0.264CS..Hα-helixtrans-60.4-50175.5-173.7-86.3000111.6L228 M300 F303 F304 E307 T349 T350 R351 Y356 H357L228-F353 HydrophobicContact CD1-CD2 4.11Å; M300-F353 HydrophobicContact SD-CD2 4.03Å; F303-F353 HydrophobicContact CB-CD1 4.05Å; F303-F353 HydrophobicContact CB-CD2 3.81Å; F303-F353 HydrophobicContact CB-CE1 3.91Å; F303-F353 HydrophobicContact CB-CE2 3.63Å; F303-F353 HydrophobicContact CB-CG 4.02Å; F303-F353 HydrophobicContact CB-CZ 3.69Å; F303-F353 HydrophobicContact CD2-CB 4.03Å; F303-F353 HydrophobicContact CD2-CD1 4.15Å; F303-F353 HydrophobicContact CD2-CD2 4.31Å; F303-F353 AromaticContact CD2-CG 3.9Å; F303-F353 HydrophobicContact CD2-CG 3.9Å; F303-F353 HydrophobicContact CG-CD1 4.35Å; F303-F353 HydrophobicContact CG-CG 4.37Å; F304-F353 HydrophobicContact CD2-CD2 4.37Å; F304-F353 AromaticContact CD2-CE2 3.86Å; F304-F353 HydrophobicContact CD2-CE2 3.86Å; F304-F353 HydrophobicContact CE2-CD2 4.21Å; F304-F353 AromaticContact CE2-CE2 3.94Å; F304-F353 HydrophobicContact CE2-CE2 3.94Å; F304-F353 HydrophobicContact CG-CE2 4.21Å; F304-F353 HydrophobicContact CZ-CE2 4.33Å; E307-F353 HydrophobicContact CB-CE1 4.46Å; E307-F353 HydrophobicContact CB-CZ 3.87Å; E307-F353 HydrophobicContact CG-CZ 4.2Å; T349-F353 VanDerWaalsContact O-CB 3.24Å; T349-F353 WeakPolarHBondContact O-CB 3.34Å; T349-F353 PolarHBondContact O-N 3.13Å; T350-F353 PolarHBondContact O-N 3.03Å; R351-F353 VanDerWaalsContact C-N 3.34Å; R351-F353 PolarHBondContact O-N 3.25Å; F353-Y356 PolarHBondContact O-N 2.85Å; F353-H357 AromaticContact CD1-ND1 3.72Å; F353-H357 AromaticContact CD2-CE1 3.61Å; F353-H357 AromaticContact CD2-ND1 3.85Å; F353-H357 AromaticContact CE1-CE1 3.8Å; F353-H357 AromaticContact CE1-ND1 3.57Å; F353-H357 AromaticContact CE2-CE1 3.19Å; F353-H357 WeakPolarHBondContact CE2-CE1 3.06Å; F353-H357 AromaticContact CE2-ND1 3.73Å; F353-H357 AromaticContact CE2-NE2 3.94Å; F353-H357 AromaticContact CG-ND1 3.84Å; F353-H357 AromaticContact CZ-CE1 3.28Å; F353-H357 WeakPolarHBondContact CZ-CE1 3.35Å; F353-H357 AromaticContact CZ-ND1 3.57Å; F353-H357 AromaticContact CZ-NE2 3.74Å; F353-H357 PolarHBondContact O-N 3.11Å; F353-H357 PolarHBondContact O-ND1 3.47Å
354L92.3Very high88Confident83 Ų8354.7 Ų54.744%0.43527%0.268SS..Hα-helixtrans-62.7-46.2-179.9-177.868.1000111.8T350 R351 H357 T358T350-L354 WeakPolarHBondContact O-CB 3.44Å; T350-L354 PolarHBondContact O-N 3.27Å; R351-L354 PolarHBondContact O-N 3.2Å; L354-H357 PolarHBondContact O-N 3.24Å; L354-T358 WeakPolarHBondContact O-CB 3.49Å; L354-T358 PolarHBondContact O-N 2.69Å; L354-T358 PolarHBondContact O-OG1 2.86Å
355Y89.7Confident86.2Confident120 Ų12057.6 Ų57.647%0.47128%0.276SS..Hα-helixtrans-62.7-44.2179.1-66.9-18.6000111.3R351 T358 L359R351-Y355 HydrophobicContact CB-CE2 4.19Å; R351-Y355 WeakPolarHBondContact O-CB 3.4Å; R351-Y355 WeakPolarHBondContact O-CD2 3.26Å; R351-Y355 PolarHBondContact O-N 2.87Å; Y355-T358 PolarHBondContact O-N 2.75Å; Y355-L359 WeakPolarHBondContact O-CB 3.05Å; Y355-L359 WeakPolarHBondContact O-CG 2.95Å; Y355-L359 PolarHBondContact O-N 3.23Å
356Y89.8Confident84.5Confident16 Ų1659 Ų596%0.06328%0.283CS..Hα-helixtrans-59.4-49.8177.3-172.8-80.9000112R224 L228 L352 F353 L359 A360 F378 E382R224-Y356 HydrophobicContact CB-CE1 4.05Å; R224-Y356 HydrophobicContact CG-CE1 3.73Å; R224-Y356 WeakPolarHBondContact CG-OH 3.05Å; L228-Y356 HydrophobicContact CD1-CD1 3.95Å; L228-Y356 HydrophobicContact CD1-CD2 4.38Å; L228-Y356 HydrophobicContact CD1-CG 3.9Å; L228-Y356 HydrophobicContact CD2-CD2 3.67Å; L228-Y356 HydrophobicContact CD2-CE2 4.48Å; L228-Y356 HydrophobicContact CD2-CG 3.75Å; L228-Y356 HydrophobicContact CG-CD1 4.36Å; L228-Y356 HydrophobicContact CG-CD2 3.92Å; L228-Y356 HydrophobicContact CG-CE2 4.32Å; L228-Y356 HydrophobicContact CG-CG 3.95Å; L352-Y356 WeakPolarHBondContact O-CB 3.39Å; L352-Y356 PolarHBondContact O-N 3.46Å; F353-Y356 PolarHBondContact O-N 2.85Å; Y356-L359 PolarHBondContact O-N 3.44Å; Y356-A360 WeakPolarHBondContact O-CB 3.28Å; Y356-A360 PolarHBondContact O-N 3.17Å; Y356-F378 AromaticContact CD2-CD2 3.74Å; Y356-F378 HydrophobicContact CD2-CD2 3.74Å; Y356-F378 HydrophobicContact CD2-CE2 4.37Å; Y356-F378 AromaticContact CE2-CD2 3.61Å; Y356-F378 HydrophobicContact CE2-CD2 3.61Å; Y356-F378 HydrophobicContact CE2-CE2 4.3Å; Y356-F378 HydrophobicContact CG-CD2 4.32Å; Y356-E382 PolarHBondContact OH-OE1 3.03Å
357H89.4Confident82.8Confident8 Ų863.8 Ų63.84%0.03731%0.306CS..Hα-helixtrans-72.7-34.2-177.5-71.179.9000112.3E307 Y308 F353 L354 L359 A360 N361E307-H357 IonicContact OE1-CD2 3.75Å; Y308-H357 AromaticContact CE2-NE2 3.96Å; Y308-H357 AromaticContact CZ-NE2 3.98Å; Y308-H357 PolarHBondContact OH-NE2 3.48Å; F353-H357 AromaticContact CD1-ND1 3.72Å; F353-H357 AromaticContact CD2-CE1 3.61Å; F353-H357 AromaticContact CD2-ND1 3.85Å; F353-H357 AromaticContact CE1-CE1 3.8Å; F353-H357 AromaticContact CE1-ND1 3.57Å; F353-H357 AromaticContact CE2-CE1 3.19Å; F353-H357 WeakPolarHBondContact CE2-CE1 3.06Å; F353-H357 AromaticContact CE2-ND1 3.73Å; F353-H357 AromaticContact CE2-NE2 3.94Å; F353-H357 AromaticContact CG-ND1 3.84Å; F353-H357 AromaticContact CZ-CE1 3.28Å; F353-H357 WeakPolarHBondContact CZ-CE1 3.35Å; F353-H357 AromaticContact CZ-ND1 3.57Å; F353-H357 AromaticContact CZ-NE2 3.74Å; F353-H357 PolarHBondContact O-N 3.11Å; F353-H357 PolarHBondContact O-ND1 3.47Å; L354-H357 PolarHBondContact O-N 3.24Å; H357-L359 PolarHBondContact O-N 3.23Å; H357-A360 PolarHBondContact O-N 3.25Å; H357-N361 WeakPolarHBondContact O-CB 3.43Å; H357-N361 PolarHBondContact O-N 3.39Å; H357-N361 PolarHBondContact O-ND2 2.83Å
358T87Confident81.5Confident71 Ų7160.5 Ų60.544%0.43630%0.299SS..Hα-helixtrans-61.8-44.9173.1-58.10000110.8L354 Y355 T362L354-T358 WeakPolarHBondContact O-CB 3.49Å; L354-T358 PolarHBondContact O-N 2.69Å; L354-T358 PolarHBondContact O-OG1 2.86Å; Y355-T358 PolarHBondContact O-N 2.75Å; T358-T362 VanDerWaalsContact O-CB 3.22Å; T358-T362 WeakPolarHBondContact O-CB 3.15Å; T358-T362 PolarHBondContact O-N 2.97Å; T358-T362 PolarHBondContact O-OG1 3.43Å
359L83.6Confident80.3Confident22 Ų2265.9 Ų65.912%0.11532%0.317CS..Hα-helixtrans-67.5-40.7176.6-70.1169.6000111.9Y355 Y356 H357 N361 Y365 F375 F378Y355-L359 WeakPolarHBondContact O-CB 3.05Å; Y355-L359 WeakPolarHBondContact O-CG 2.95Å; Y355-L359 PolarHBondContact O-N 3.23Å; Y356-L359 PolarHBondContact O-N 3.44Å; H357-L359 PolarHBondContact O-N 3.23Å; L359-N361 VanDerWaalsContact C-N 3.35Å; L359-Y365 HydrophobicContact CD2-CD1 3.86Å; L359-Y365 HydrophobicContact CD2-CG 3.84Å; L359-F375 HydrophobicContact CD1-CD2 4.05Å; L359-F375 HydrophobicContact CD1-CE2 4.17Å; L359-F375 HydrophobicContact CD1-CG 4.45Å; L359-F378 VanDerWaalsContact C-CZ 3.48Å; L359-F378 HydrophobicContact CB-CE1 3.77Å; L359-F378 HydrophobicContact CB-CE2 3.83Å; L359-F378 HydrophobicContact CB-CZ 3.39Å
360A83.2Confident79.3Confident0 Ų074.6 Ų74.60%035%0.35CS..Hα-helixtrans-67.2-35.3178.800000112.6Y356 H357 F378Y356-A360 WeakPolarHBondContact O-CB 3.28Å; Y356-A360 PolarHBondContact O-N 3.17Å; H357-A360 PolarHBondContact O-N 3.25Å; A360-F378 HydrophobicContact CB-CE2 4.06Å; A360-F378 HydrophobicContact CB-CZ 4.33Å
361N82.2Confident78.1Confident57 Ų5773.3 Ų73.331%0.30534%0.343SS..Hα-helixtrans-84.6-21.6-177.7-65.9-17.5000112.4H357 L359 P388H357-N361 WeakPolarHBondContact O-CB 3.43Å; H357-N361 PolarHBondContact O-N 3.39Å; H357-N361 PolarHBondContact O-ND2 2.83Å; L359-N361 VanDerWaalsContact C-N 3.35Å; N361-P388 WeakPolarHBondContact OD1-CA 3.47Å
362T78.8Confident76.9Confident56 Ų5675.5 Ų75.534%0.34435%0.351SS..  trans-98.4105.4-177.7-52.30000112T358 A364 Y365T358-T362 VanDerWaalsContact O-CB 3.22Å; T358-T362 WeakPolarHBondContact O-CB 3.15Å; T358-T362 PolarHBondContact O-N 2.97Å; T358-T362 PolarHBondContact O-OG1 3.43Å; T362-A364 VanDerWaalsContact C-N 3.27Å; T362-A364 HydrophobicContact CG2-CB 4.29Å; T362-A364 PolarHBondContact O-N 3.35Å; T362-Y365 HydrophobicContact CG2-CD2 4.14Å; T362-Y365 PolarHBondContact O-N 2.88Å
363R63.5Low76.1Confident143 Ų14378.9 Ų78.954%0.5437%0.368SS..Hα-helixtrans-57.5-34-178.4-67-175.1175.3-179.1-2114.3Y365 Q366 N386R363-Y365 PolarHBondContact O-N 2.91Å; R363-Q366 PolarHBondContact O-N 3.4Å; R363-N386 PolarHBondContact NH2-O 3.02Å
364A57.8Low75.2Confident81 Ų8187 Ų8767%0.66940%0.398SS*.Hα-helixtrans-62.7-29.3-177.200000113.4T362T362-A364 VanDerWaalsContact C-N 3.27Å; T362-A364 HydrophobicContact CG2-CB 4.29Å; T362-A364 PolarHBondContact O-N 3.35Å
365Y57.6Low74.5Confident130 Ų13087.1 Ų87.151%0.5140%0.396SS..Hα-helixtrans-86.8-25.4-178.5-89-87.9000113.5L359 T362 R363 Q367 S368 A371L359-Y365 HydrophobicContact CD2-CD1 3.86Å; L359-Y365 HydrophobicContact CD2-CG 3.84Å; T362-Y365 HydrophobicContact CG2-CD2 4.14Å; T362-Y365 PolarHBondContact O-N 2.88Å; R363-Y365 PolarHBondContact O-N 2.91Å; Y365-Q367 PolarHBondContact O-N 3.35Å; Y365-S368 PolarHBondContact O-N 3.4Å; Y365-S368 VanDerWaalsContact O-N 3.14Å; Y365-A371 VanDerWaalsContact O-CB 3.27Å; Y365-A371 WeakPolarHBondContact O-CB 3.29Å
366Q58.4Low73.8Confident31 Ų3185.3 Ų85.315%0.14540%0.399CS..Hα-helixtrans-63.4-28.1-179.1-69.8-172.2-45.900113.1R363 V385R363-Q366 PolarHBondContact O-N 3.4Å; Q366-V385 PolarHBondContact NE2-O 3.4Å; Q366-V385 PolarHBondContact OE1-O 3.35Å
367Q61Low73.2Confident169 Ų16987.8 Ų87.879%0.7941%0.412SS*.THydrogen-bonded Turntrans-97.6-2178.1-79163-28.400113.8Y365Y365-Q367 PolarHBondContact O-N 3.35Å
368S68.8Low72.7Confident44 Ų4488 Ų8831%0.30841%0.412SS..  trans-75.5128.2179.6-176.50000111.8Y365 R370 A371 R372Y365-S368 PolarHBondContact O-N 3.4Å; Y365-S368 VanDerWaalsContact O-N 3.14Å; S368-R370 PolarHBondContact O-N 3.41Å; S368-R370 PolarHBondContact OG-N 2.97Å; S368-A371 PolarHBondContact O-N 2.85Å; S368-A371 VanDerWaalsContact O-N 3.16Å; S368-R372 PolarHBondContact O-N 3.39Å
369R69.7Low72Confident154 Ų15485.3 Ų85.358%0.58140%0.396SS*.Hα-helixtrans-55.6-32.5172.8-170.4177.3177.3-173.30.4112.1R372 I373R369-R372 PolarHBondContact O-N 2.98Å; R369-I373 HydrophobicContact CG-CD1 4.17Å; R369-I373 WeakPolarHBondContact O-CG1 3.47Å; R369-I373 PolarHBondContact O-N 3.31Å
370R74.4Confident71.9Confident184 Ų18488 Ų8869%0.69441%0.407SS*.Hα-helixtrans-67.4-44178.3-176.4177.4-89.9165-7111.8S368 R372 I373 W374S368-R370 PolarHBondContact O-N 3.41Å; S368-R370 PolarHBondContact OG-N 2.97Å; R370-R372 VanDerWaalsContact C-N 3.28Å; R370-R372 PolarHBondContact O-N 3.26Å; R370-I373 PolarHBondContact O-N 2.01Å; R370-W374 PolarHBondContact O-N 3.34Å
371A69.5Low71.7Confident8 Ų888.1 Ų88.17%0.06641%0.408CS..Hα-helixtrans-62.5-36.817800000111.9Y365 S368 I373 F375Y365-A371 VanDerWaalsContact O-CB 3.27Å; Y365-A371 WeakPolarHBondContact O-CB 3.29Å; S368-A371 PolarHBondContact O-N 2.85Å; S368-A371 VanDerWaalsContact O-N 3.16Å; A371-I373 PolarHBondContact O-N 3.23Å; A371-F375 CarbonylContact O-C 3.57Å; A371-F375 WeakPolarHBondContact O-CA 3.44Å; A371-F375 PolarHBondContact O-N 3.44Å
372R71.1Confident71.6Confident143 Ų14385.5 Ų85.554%0.5439%0.394SS..Hα-helixtrans-65.5-36176.7-168.4178.9-59165.84.8113.5S368 R369 R370 P376S368-R372 PolarHBondContact O-N 3.39Å; R369-R372 PolarHBondContact O-N 2.98Å; R370-R372 VanDerWaalsContact C-N 3.28Å; R370-R372 PolarHBondContact O-N 3.26Å; R372-P376 WeakPolarHBondContact O-CA 3.42Å
373I76.3Confident71.1Confident116 Ų11686.2 Ų86.260%0.59540%0.4SS*.Hα-helixtrans-76-44.7179.4-67.2166.1000111R369 R370 A371R369-I373 HydrophobicContact CG-CD1 4.17Å; R369-I373 WeakPolarHBondContact O-CG1 3.47Å; R369-I373 PolarHBondContact O-N 3.31Å; R370-I373 PolarHBondContact O-N 2.01Å; A371-I373 PolarHBondContact O-N 3.23Å
374W75.1Confident71.3Confident190 Ų19083.7 Ų83.772%0.7240%0.397SS*.Hα-helixtrans-79.9-28.3-175.6-73.166.9000112.8R370R370-W374 PolarHBondContact O-N 3.34Å
375F78.1Confident72Confident87 Ų8780 Ų8038%0.38237%0.366SS..  trans-133.768.4-179.2-54-80.7000111.1L359 A371 M377 F378 S379L359-F375 HydrophobicContact CD1-CD2 4.05Å; L359-F375 HydrophobicContact CD1-CE2 4.17Å; L359-F375 HydrophobicContact CD1-CG 4.45Å; A371-F375 CarbonylContact O-C 3.57Å; A371-F375 WeakPolarHBondContact O-CA 3.44Å; A371-F375 PolarHBondContact O-N 3.44Å; F375-M377 PolarHBondContact O-N 3.37Å; F375-F378 HydrophobicContact CB-CB 3.72Å; F375-F378 HydrophobicContact CB-CD1 4.48Å; F375-F378 HydrophobicContact CB-CG 4.42Å; F375-F378 WeakPolarHBondContact O-CB 3.44Å; F375-F378 PolarHBondContact O-N 3.08Å; F375-S379 PolarHBondContact O-N 2.93Å
376P75.7Confident72.3Confident82 Ų8276.7 Ų76.753%0.53236%0.358SS..Hα-helixtrans-62.9-42.3-175.223.7-33.3000112.7R372 F378 S379 F380R372-P376 WeakPolarHBondContact O-CA 3.42Å; P376-F378 PolarHBondContact O-N 3.37Å; P376-S379 PolarHBondContact O-N 2.97Å; P376-F380 WeakPolarHBondContact O-CB 3.2Å; P376-F380 PolarHBondContact O-N 3.38Å
377M76.1Confident72.8Confident68 Ų6875.3 Ų75.334%0.33535%0.352SS..Hα-helixtrans-61.3-43.3175.9-79-73.9-8800112.2Y151 F375 F380 F381Y151-M377 HydrophobicContact CD1-CE 3.8Å; Y151-M377 HydrophobicContact CD2-CE 4.15Å; Y151-M377 HydrophobicContact CE1-CE 3.76Å; Y151-M377 HydrophobicContact CE2-CE 4.14Å; Y151-M377 HydrophobicContact CG-CE 3.98Å; F375-M377 PolarHBondContact O-N 3.37Å; M377-F380 PolarHBondContact O-N 3.04Å; M377-F381 HydrophobicContact CE-CE2 3.6Å; M377-F381 HydrophobicContact CE-CZ 4.26Å; M377-F381 WeakPolarHBondContact O-CD2 3.46Å; M377-F381 PolarHBondContact O-N 2.94Å; M377-F381 VanDerWaalsContact O-N 3.11Å; M377-F381 HydrophobicContact SD-CE2 3.97Å
378F79.2Confident73.6Confident13 Ų1371.6 Ų71.66%0.05734%0.342CS..Hα-helixtrans-61.1-50.1175.5170.1-93.6000111Y356 L359 A360 F375 P376 F380 F381 E382Y356-F378 AromaticContact CD2-CD2 3.74Å; Y356-F378 HydrophobicContact CD2-CD2 3.74Å; Y356-F378 HydrophobicContact CD2-CE2 4.37Å; Y356-F378 AromaticContact CE2-CD2 3.61Å; Y356-F378 HydrophobicContact CE2-CD2 3.61Å; Y356-F378 HydrophobicContact CE2-CE2 4.3Å; Y356-F378 HydrophobicContact CG-CD2 4.32Å; L359-F378 VanDerWaalsContact C-CZ 3.48Å; L359-F378 HydrophobicContact CB-CE1 3.77Å; L359-F378 HydrophobicContact CB-CE2 3.83Å; L359-F378 HydrophobicContact CB-CZ 3.39Å; A360-F378 HydrophobicContact CB-CE2 4.06Å; A360-F378 HydrophobicContact CB-CZ 4.33Å; F375-F378 HydrophobicContact CB-CB 3.72Å; F375-F378 HydrophobicContact CB-CD1 4.48Å; F375-F378 HydrophobicContact CB-CG 4.42Å; F375-F378 WeakPolarHBondContact O-CB 3.44Å; F375-F378 PolarHBondContact O-N 3.08Å; P376-F378 PolarHBondContact O-N 3.37Å; F378-F380 VanDerWaalsContact C-N 3.3Å; F378-F380 PolarHBondContact O-N 3.28Å; F378-F381 PolarHBondContact O-N 3.44Å; F378-E382 HydrophobicContact CD2-CG 4.14Å; F378-E382 HydrophobicContact CE2-CB 4.2Å; F378-E382 HydrophobicContact CE2-CG 3.82Å; F378-E382 HydrophobicContact CZ-CB 4.16Å; F378-E382 HydrophobicContact CZ-CG 4.27Å; F378-E382 WeakPolarHBondContact O-CB 3.29Å; F378-E382 PolarHBondContact O-N 2.82Å
379S72.4Confident74.2Confident14 Ų1470.2 Ų70.210%0.09833%0.332CS..Hα-helixtrans-56.4-47.6-179.7-173.90000110.4F375 P376 C383F375-S379 PolarHBondContact O-N 2.93Å; P376-S379 PolarHBondContact O-N 2.97Å; S379-C383 WeakPolarHBondContact O-CB 3.21Å; S379-C383 PolarHBondContact O-N 3.38Å; S379-C383 PolarHBondContact O-SG 2.97Å
380F80.3Confident74.8Confident79 Ų7965 Ų6535%0.34632%0.318SS..Hα-helixtrans-62.1-46.9-178.6173.6-92.9000113.3W143 K144 L147 P376 M377 F378W143-F380 HydrophobicContact CH2-CE1 4.36Å; W143-F380 AromaticContact CH2-CE2 3.86Å; W143-F380 HydrophobicContact CH2-CE2 3.86Å; W143-F380 AromaticContact CH2-CZ 3.31Å; W143-F380 HydrophobicContact CH2-CZ 3.31Å; W143-F380 HydrophobicContact CZ2-CE2 4.4Å; W143-F380 AromaticContact CZ2-CZ 3.97Å; W143-F380 HydrophobicContact CZ2-CZ 3.97Å; W143-F380 AromaticContact CZ3-CZ 3.89Å; W143-F380 HydrophobicContact CZ3-CZ 3.89Å; K144-F380 HydrophobicContact CD-CE1 4.49Å; K144-F380 HydrophobicContact CG-CE1 4.45Å; K144-F380 PolarHBondContact NZ-O 3.22Å; L147-F380 HydrophobicContact CD2-CE1 3.68Å; L147-F380 HydrophobicContact CD2-CZ 3.8Å; P376-F380 WeakPolarHBondContact O-CB 3.2Å; P376-F380 PolarHBondContact O-N 3.38Å; M377-F380 PolarHBondContact O-N 3.04Å; F378-F380 VanDerWaalsContact C-N 3.3Å; F378-F380 PolarHBondContact O-N 3.28Å
381F79.2Confident75.1Confident2 Ų259 Ų591%0.00930%0.3CS..Hα-helixtrans-73-34.3-177.9-73.1-52.6000113.1K144 R223 M377 F378K144-F381 HydrophobicContact CB-CD1 4.18Å; K144-F381 HydrophobicContact CB-CE1 4.47Å; K144-F381 WeakPolarHBondContact O-CE1 3.22Å; R223-F381 HydrophobicContact CG-CB 4.38Å; R223-F381 HydrophobicContact CG-CD1 3.91Å; R223-F381 HydrophobicContact CG-CE1 4.47Å; R223-F381 HydrophobicContact CG-CG 4.22Å; R223-F381 PolarHBondContact NE-O 3.06Å; R223-F381 PolarHBondContact NH1-O 2.94Å; R223-F381 PolarHBondContact NH2-O 3.42Å; M377-F381 HydrophobicContact CE-CE2 3.6Å; M377-F381 HydrophobicContact CE-CZ 4.26Å; M377-F381 WeakPolarHBondContact O-CD2 3.46Å; M377-F381 PolarHBondContact O-N 2.94Å; M377-F381 VanDerWaalsContact O-N 3.11Å; M377-F381 HydrophobicContact SD-CE2 3.97Å; F378-F381 PolarHBondContact O-N 3.44Å
382E80.6Confident75.7Confident2 Ų261.5 Ų61.51%0.00931%0.31CS..Hα-helixtrans-99.2-0.4-174.9-66-66.5124.700114.2R223 R224 Y356 F378 N384 V385R223-E382 IonicContact CZ-OE1 2.72Å; R223-E382 IonicContact NE-OE1 3.54Å; R223-E382 IonicContact NH2-OE1 3.34Å; R223-E382 PolarHBondContact NH2-OE1 3.15Å; R224-E382 IonicContact CZ-OE2 2.76Å; R224-E382 IonicContact NE-OE1 3.99Å; R224-E382 PolarHBondContact NE-OE1 2.9Å; R224-E382 VanDerWaalsContact NE-OE1 3.15Å; R224-E382 IonicContact NE-OE2 2.75Å; R224-E382 PolarHBondContact NE-OE2 3.39Å; R224-E382 IonicContact NH2-OE1 2.86Å; R224-E382 IonicContact NH2-OE2 3.42Å; R224-E382 PolarHBondContact NH2-OE2 3.1Å; Y356-E382 PolarHBondContact OH-OE1 3.03Å; F378-E382 HydrophobicContact CD2-CG 4.14Å; F378-E382 HydrophobicContact CE2-CB 4.2Å; F378-E382 HydrophobicContact CE2-CG 3.82Å; F378-E382 HydrophobicContact CZ-CB 4.16Å; F378-E382 HydrophobicContact CZ-CG 4.27Å; F378-E382 WeakPolarHBondContact O-CB 3.29Å; F378-E382 PolarHBondContact O-N 2.82Å; E382-N384 PolarHBondContact O-N 3.14Å; E382-V385 PolarHBondContact O-N 3.34Å; E382-V385 WeakPolarHBondContact OE2-CB 3.36Å; E382-V385 WeakPolarHBondContact OE2-CG1 3.49Å
383C68.9Low76.2Confident70 Ų7055.6 Ų55.647%0.47329%0.288SS..THydrogen-bonded Turntrans-45.3-34.5179-93.70000115.2S379S379-C383 WeakPolarHBondContact O-CB 3.21Å; S379-C383 PolarHBondContact O-N 3.38Å; S379-C383 PolarHBondContact O-SG 2.97Å
384N67Low76.3Confident90 Ų9052.7 Ų52.748%0.48128%0.277SS..THydrogen-bonded Turntrans-109.30.8-174.6-65.9-28000113.6E141 K144 E382E141-N384 PolarHBondContact OE1-ND2 3.36Å; K144-N384 PolarHBondContact NZ-ND2 3.13Å; E382-N384 PolarHBondContact O-N 3.14Å
385V71.7Confident76.3Confident3 Ų345.7 Ų45.72%0.01825%0.251CS..  trans-102.4104.2177.8173.50000109.4L138 I220 Q366 E382 G387 V389L138-V385 HydrophobicContact CD2-CG1 3.82Å; L138-V385 HydrophobicContact CD2-CG2 4.49Å; I220-V385 HydrophobicContact CD1-CG2 4.05Å; I220-V385 HydrophobicContact CG1-CG2 4.48Å; I220-V385 HydrophobicContact CG2-CG2 4.3Å; Q366-V385 PolarHBondContact NE2-O 3.4Å; Q366-V385 PolarHBondContact OE1-O 3.35Å; E382-V385 PolarHBondContact O-N 3.34Å; E382-V385 WeakPolarHBondContact OE2-CB 3.36Å; E382-V385 WeakPolarHBondContact OE2-CG1 3.49Å; V385-G387 PolarHBondContact O-N 3.06Å; V385-V389 HydrophobicContact CG1-CG2 4.45Å
386N64.8Low76.1Confident62 Ų6243.9 Ų43.933%0.33225%0.248SC..  trans-98.881.3-171-70.9-61000112.4R363R363-N386 PolarHBondContact NH2-O 3.02Å
387G69.9Low76Confident2 Ų245.6 Ų45.62%0.02125%0.247CC..SBendtrans105.2-167.6173.400000114.8V385V385-G387 PolarHBondContact O-N 3.06Å
388P77.4Confident75.5Confident91 Ų9147.2 Ų47.259%0.59127%0.265SS*.PPolyproline II helixtrans-66137.7-175.327-33.9000111.3N361N361-P388 WeakPolarHBondContact OD1-CA 3.47Å
389V81.1Confident74.5Confident14 Ų1456.7 Ų56.79%0.08530%0.3CS..PPolyproline II helixtrans-77.4125.1176.2-179.90000107.8L138 H217 I220 L221 Y308 V385L138-V389 HydrophobicContact CD2-CG2 4.11Å; H217-V389 HydrophobicContact CB-CG1 3.88Å; I220-V389 HydrophobicContact CG2-CG2 3.99Å; L221-V389 HydrophobicContact CD1-CG1 4.06Å; Y308-V389 HydrophobicContact CE1-CB 4.31Å; V385-V389 HydrophobicContact CG1-CG2 4.45Å
390P81.1Confident74.2Confident45 Ų4559.4 Ų59.429%0.29232%0.318SS..PPolyproline II helixtrans-70.8139.8177.630.4-34.5000110.3H215 E392H215-P390 PolarHBondContact CE1-O 3.23Å; H215-P390 PolarHBondContact NE2-O 3.47Å; P390-E392 HydrophobicContact CB-CG 4.18Å; P390-E392 HydrophobicContact CG-CG 4.39Å; P390-E392 PolarHBondContact O-N 3.14Å
391N81.7Confident73.5Confident59 Ų5960.4 Ų60.432%0.31633%0.33SS..  trans-7866.8177.7-69.1-7.4000110.2E307 Y308 T309 Y393E307-N391 PolarHBondContact O-ND2 3.4Å; E307-N391 VanDerWaalsContact O-ND2 3.07Å; Y308-N391 PolarHBondContact O-OD1 3.5Å; T309-N391 PolarHBondContact O-ND2 3.45Å; N391-Y393 HydrophobicContact CB-CE2 4.31Å
392E82.2Confident72.9Confident60 Ų6067 Ų6728%0.2836%0.363SS..  trans-97.8128.5177.4-71.5179.2-158.900110.6K216 P390K216-E392 HydrophobicContact CB-CB 4.16Å; K216-E392 VanDerWaalsContact CB-O 3.3Å; K216-E392 WeakPolarHBondContact CB-O 3.48Å; K216-E392 HydrophobicContact CD-CB 4.04Å; K216-E392 WeakPolarHBondContact CD-OE2 3.48Å; K216-E392 PolarHBondContact N-O 3.2Å; K216-E392 IonicContact NZ-OE2 3.18Å; K216-E392 PolarHBondContact NZ-OE2 3.16Å; P390-E392 HydrophobicContact CB-CG 4.18Å; P390-E392 HydrophobicContact CG-CG 4.39Å; P390-E392 PolarHBondContact O-N 3.14Å
393Y80.8Confident72.3Confident19 Ų1970.5 Ų70.58%0.07538%0.38CS..BIsolated β-bridgetrans-109.6142.1-178.4-71.9-101000110.4V211 L214 H215 Y308 T309 P310 W313 N391V211-Y393 HydrophobicContact CG1-CE1 4.39Å; L214-Y393 HydrophobicContact CB-CD1 3.75Å; L214-Y393 HydrophobicContact CB-CE1 4.31Å; L214-Y393 CarbonylContact O-C 3.59Å; L214-Y393 VanDerWaalsContact O-CA 3.31Å; L214-Y393 WeakPolarHBondContact O-CA 3.07Å; H215-Y393 AromaticContact CD2-CZ 3.94Å; Y308-Y393 PolarHBondContact O-OH 3.42Å; T309-Y393 VanDerWaalsContact CA-OH 3.29Å; T309-Y393 WeakPolarHBondContact CA-OH 3.47Å; T309-Y393 WeakPolarHBondContact CG2-OH 3.27Å; P310-Y393 HydrophobicContact CG-CD2 4.16Å; P310-Y393 HydrophobicContact CG-CE2 3.73Å; W313-Y393 HydrophobicContact CH2-CD1 4.29Å; W313-Y393 HydrophobicContact CH2-CE1 4.19Å; W313-Y393 HydrophobicContact CZ3-CE1 4.18Å; N391-Y393 HydrophobicContact CB-CE2 4.31Å
394C78.3Confident71.9Confident55 Ų5571.9 Ų71.937%0.37238%0.378SS..  trans-143.9131.6-179.8-74.60000109L214 K216 P396L214-C394 PolarHBondContact O-N 3.01Å; L214-C394 VanDerWaalsContact O-O 3.04Å; K216-C394 HydrophobicContact CB-CB 4.44Å; C394-P396 WeakPolarHBondContact O-CD 3.45Å
395W76.5Confident71.7Confident43 Ų4377.9 Ų77.916%0.16339%0.394CS..  trans-67.5119.6174.8-178.4-108.9000110.6L214 F397 R399 M403 K404 I407L214-W395 HydrophobicContact CD2-CE3 3.61Å; L214-W395 HydrophobicContact CD2-CZ3 3.81Å; W395-F397 AromaticContact CE2-CD2 3.91Å; W395-F397 HydrophobicContact CH2-CD2 4.11Å; W395-F397 HydrophobicContact CZ2-CB 4.28Å; W395-F397 AromaticContact CZ2-CD2 3.64Å; W395-F397 HydrophobicContact CZ2-CD2 3.64Å; W395-F397 HydrophobicContact CZ2-CG 4.41Å; W395-F397 PolarHBondContact NE1-O 3.15Å; W395-F397 PolarHBondContact O-N 3.21Å; W395-R399 PolarHBondContact NE1-O 3.09Å; W395-M403 HydrophobicContact CB-CB 4.4Å; W395-M403 HydrophobicContact CD2-CB 3.43Å; W395-M403 VanDerWaalsContact CD2-CB 3.43Å; W395-M403 HydrophobicContact CD2-CG 4.08Å; W395-M403 HydrophobicContact CD2-SD 4.48Å; W395-M403 HydrophobicContact CE3-CB 3.69Å; W395-M403 HydrophobicContact CE3-CG 4.06Å; W395-M403 HydrophobicContact CE3-SD 3.85Å; W395-M403 HydrophobicContact CG-CB 3.75Å; W395-M403 HydrophobicContact CH2-CB 4.41Å; W395-M403 HydrophobicContact CH2-CE 3.45Å; W395-M403 VanDerWaalsContact CH2-CE 3.45Å; W395-M403 HydrophobicContact CH2-CG 3.99Å; W395-M403 HydrophobicContact CH2-SD 3.79Å; W395-M403 HydrophobicContact CZ2-CB 4.19Å; W395-M403 HydrophobicContact CZ2-CE 4.2Å; W395-M403 HydrophobicContact CZ2-CG 4Å; W395-M403 HydrophobicContact CZ2-SD 4.41Å; W395-M403 HydrophobicContact CZ3-CB 4.17Å; W395-M403 HydrophobicContact CZ3-CE 3.66Å; W395-M403 HydrophobicContact CZ3-CG 4.01Å; W395-M403 HydrophobicContact CZ3-SD 3.46Å; W395-M403 WeakPolarHBondContact CZ3-SD 3.03Å; W395-K404 HydrophobicContact CB-CG 3.77Å; W395-K404 HydrophobicContact CG-CG 4.17Å; W395-I407 HydrophobicContact CE3-CD1 3.67Å; W395-I407 HydrophobicContact CZ3-CD1 4.15Å
396P72.7Confident71.2Confident49 Ų4984.9 Ų84.932%0.31843%0.431SS..  trans-78.7-16.1-170.530.5-36000113.8L213 C394L213-P396 WeakPolarHBondContact O-CG 3.45Å; C394-P396 WeakPolarHBondContact O-CD 3.45Å
397F73.3Confident71Confident118 Ų11883.9 Ų83.952%0.51843%0.425SS..SBendtrans-98.5152.7-175.8-56.5-77.6000112.9W395 R399 K404W395-F397 AromaticContact CE2-CD2 3.91Å; W395-F397 HydrophobicContact CH2-CD2 4.11Å; W395-F397 HydrophobicContact CZ2-CB 4.28Å; W395-F397 AromaticContact CZ2-CD2 3.64Å; W395-F397 HydrophobicContact CZ2-CD2 3.64Å; W395-F397 HydrophobicContact CZ2-CG 4.41Å; W395-F397 PolarHBondContact NE1-O 3.15Å; W395-F397 PolarHBondContact O-N 3.21Å; F397-R399 WeakPolarHBondContact CB-O 3.5Å; F397-R399 PolarHBondContact O-N 3.25Å; F397-K404 WeakPolarHBondContact O-CE 3Å
398S66.7Low70.2Confident101 Ų10188 Ų8871%0.70647%0.467SS*.SBendtrans-65.5-29.1179.5-44.50000112.8
399R58.5Low69.8Low212 Ų21287.8 Ų87.880%0.846%0.461SS*.  trans-138.2155.5178.8-64.2-176.1-180-176.70109.4W395 F397W395-R399 PolarHBondContact NE1-O 3.09Å; F397-R399 WeakPolarHBondContact CB-O 3.5Å; F397-R399 PolarHBondContact O-N 3.25Å
400P66.6Low69.2Low72 Ų7291.7 Ų91.747%0.46848%0.48SS..  cis-77.7144.5-8.430.6-31.6000112.4M402 M403P400-M402 PolarHBondContact O-N 3.5Å; P400-M403 HydrophobicContact CG-CB 4.45Å; P400-M403 HydrophobicContact CG-CG 3.87Å; P400-M403 PolarHBondContact O-N 3.32Å
401T65.3Low68.5Low100 Ų10094.3 Ų94.361%0.61349%0.491SS*.Hα-helixtrans-66.3-20.9179.940.10000113.7K404T401-K404 WeakPolarHBondContact O-CB 3.35Å; T401-K404 PolarHBondContact O-N 3.33Å
402M66.2Low67.8Low140 Ų14096.4 Ų96.469%0.6950%0.501SS*.Hα-helixtrans-62.7-39.9174.7-70.5-68.6-105.600112.1P400 K404 R405 L406P400-M402 PolarHBondContact O-N 3.5Å; M402-K404 VanDerWaalsContact C-N 3.25Å; M402-K404 PolarHBondContact O-N 3.13Å; M402-R405 PolarHBondContact O-N 3Å; M402-L406 PolarHBondContact O-N 2.65Å
403M67.3Low66.9Low76 Ų7698.6 Ų98.637%0.37452%0.515SS..Hα-helixtrans-63.9-31.2176.3-74.5-94.8-150.500112.2W395 P400 R405 L406 I407W395-M403 HydrophobicContact CB-CB 4.4Å; W395-M403 HydrophobicContact CD2-CB 3.43Å; W395-M403 VanDerWaalsContact CD2-CB 3.43Å; W395-M403 HydrophobicContact CD2-CG 4.08Å; W395-M403 HydrophobicContact CD2-SD 4.48Å; W395-M403 HydrophobicContact CE3-CB 3.69Å; W395-M403 HydrophobicContact CE3-CG 4.06Å; W395-M403 HydrophobicContact CE3-SD 3.85Å; W395-M403 HydrophobicContact CG-CB 3.75Å; W395-M403 HydrophobicContact CH2-CB 4.41Å; W395-M403 HydrophobicContact CH2-CE 3.45Å; W395-M403 VanDerWaalsContact CH2-CE 3.45Å; W395-M403 HydrophobicContact CH2-CG 3.99Å; W395-M403 HydrophobicContact CH2-SD 3.79Å; W395-M403 HydrophobicContact CZ2-CB 4.19Å; W395-M403 HydrophobicContact CZ2-CE 4.2Å; W395-M403 HydrophobicContact CZ2-CG 4Å; W395-M403 HydrophobicContact CZ2-SD 4.41Å; W395-M403 HydrophobicContact CZ3-CB 4.17Å; W395-M403 HydrophobicContact CZ3-CE 3.66Å; W395-M403 HydrophobicContact CZ3-CG 4.01Å; W395-M403 HydrophobicContact CZ3-SD 3.46Å; W395-M403 WeakPolarHBondContact CZ3-SD 3.03Å; P400-M403 HydrophobicContact CG-CB 4.45Å; P400-M403 HydrophobicContact CG-CG 3.87Å; P400-M403 PolarHBondContact O-N 3.32Å; M403-R405 VanDerWaalsContact C-N 3.29Å; M403-R405 PolarHBondContact O-N 3.34Å; M403-L406 PolarHBondContact O-N 3.19Å; M403-I407 HydrophobicContact CB-CD1 4.42Å; M403-I407 WeakPolarHBondContact O-CB 3.48Å; M403-I407 PolarHBondContact O-N 2.94Å; M403-I407 VanDerWaalsContact O-N 3.13Å; M403-I407 HydrophobicContact SD-CD1 3.82Å
404K61.5Low65.9Low98 Ų98103.9 Ų103.943%0.42654%0.544SS..Hα-helixtrans-64.2-31.4176.1-76.2-179.9177.1-176.60113.2W395 F397 T401 M402 G408W395-K404 HydrophobicContact CB-CG 3.77Å; W395-K404 HydrophobicContact CG-CG 4.17Å; F397-K404 WeakPolarHBondContact O-CE 3Å; T401-K404 WeakPolarHBondContact O-CB 3.35Å; T401-K404 PolarHBondContact O-N 3.33Å; M402-K404 VanDerWaalsContact C-N 3.25Å; M402-K404 PolarHBondContact O-N 3.13Å; K404-G408 PolarHBondContact O-N 3.06Å; K404-G408 VanDerWaalsContact O-OXT 3.07Å
405R61.9Low65Low217 Ų217107.4 Ų107.482%0.81956%0.557SS**Hα-helixtrans-85.4-19.7177.2-79.7-174.3-177.8169.60.5113.9M402 M403M402-R405 PolarHBondContact O-N 3Å; M403-R405 VanDerWaalsContact C-N 3.29Å; M403-R405 PolarHBondContact O-N 3.34Å
406L60.7Low64.2Low150 Ų150112.4 Ų112.479%0.78559%0.587SS**Hα-helixtrans-92.3-27.8-174.6-139149.7000111.3M402 M403M402-L406 PolarHBondContact O-N 2.65Å; M403-L406 PolarHBondContact O-N 3.19Å
407I62.1Low63.5Low40 Ų40117.7 Ų117.721%0.20561%0.609CS.*Hα-helixtrans-109.4-29.1-174.3-63.9168.7000112.5L214 W395 M403L214-I407 HydrophobicContact CD1-CD1 4.37Å; L214-I407 HydrophobicContact CD2-CD1 4.11Å; W395-I407 HydrophobicContact CE3-CD1 3.67Å; W395-I407 HydrophobicContact CZ3-CD1 4.15Å; M403-I407 HydrophobicContact CB-CD1 4.42Å; M403-I407 WeakPolarHBondContact O-CB 3.48Å; M403-I407 PolarHBondContact O-N 2.94Å; M403-I407 VanDerWaalsContact O-N 3.13Å; M403-I407 HydrophobicContact SD-CD1 3.82Å
408G51.6Low62.6Low88 Ų88117.6 Ų117.691%0.90762%0.618SS**  trans-1180175.800000110.9K404K404-G408 PolarHBondContact O-N 3.06Å; K404-G408 VanDerWaalsContact O-OXT 3.07Å

Retrieved 408 of 408 residues in 695.2 ms (Link to these results)