A0A087XZ94_POEFO Loading...

Rho GTPase activating protein 11A

AlphaFold DB , UniProt , Accession A0A087XZ94, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 976 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M59.9Low81.7Confident137 Ų13773.3 Ų73.368%0.67537%0.374SS*.  0128.20-170.2179.6-83.600110E5 K6 M9M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; M1-E5 HydrophobicContact CG-CB 4.33Å; M1-E5 VanDerWaalsContact CG-CD 3.48Å; M1-E5 HydrophobicContact CG-CG 4.02Å; M1-E5 VanDerWaalsContact CG-OE2 3.32Å; M1-E5 WeakPolarHBondContact CG-OE2 3.26Å; M1-K6 HydrophobicContact CG-CG 3.91Å; M1-K6 HydrophobicContact SD-CD 4.36Å; M1-K6 HydrophobicContact SD-CG 3.51Å; M1-K6 VanDerWaalsContact SD-CG 3.51Å; M1-M9 HydrophobicContact CE-CE 3.59Å; M1-M9 HydrophobicContact CE-SD 3.84Å; M1-M9 HydrophobicContact SD-CE 3.42Å; M1-M9 WeakPolarHBondContact SD-CE 3.15Å; M1-M9 HydrophobicContact SD-SD 4.31Å
2N74Confident82.6Confident115 Ų11567.7 Ų67.762%0.61535%0.347SS*.  trans-85.4155.8-175.4-78.1-50.3000113M4 E5 K6N2-M4 VanDerWaalsContact C-N 3.26Å; N2-M4 PolarHBondContact O-N 3.35Å; N2-E5 HydrophobicContact CB-CB 4.1Å; N2-E5 PolarHBondContact N-OE2 3.33Å; N2-E5 WeakPolarHBondContact O-CB 3.44Å; N2-E5 PolarHBondContact O-N 3.4Å; N2-K6 PolarHBondContact O-N 3.49Å
3V76.3Confident83.4Confident115 Ų11562.5 Ų62.570%0.69732%0.32SS*.Hα-helixtrans-62.3-34.4176.9178.80000111.6N7V3-N7 PolarHBondContact O-N 2.97Å; V3-N7 PolarHBondContact O-ND2 3.06Å
4M75.6Confident84.1Confident116 Ų11660.1 Ų60.157%0.57131%0.31SS*.Hα-helixtrans-65.5-46.9174.9-177.5169.6-72.100111.8N2 K6 N7 V8 M253 F284N2-M4 VanDerWaalsContact C-N 3.26Å; N2-M4 PolarHBondContact O-N 3.35Å; M4-K6 PolarHBondContact O-N 3.47Å; M4-N7 WeakPolarHBondContact O-CB 3.43Å; M4-N7 PolarHBondContact O-N 3.42Å; M4-N7 VanDerWaalsContact O-N 3.1Å; M4-V8 WeakPolarHBondContact O-CG2 3.47Å; M4-V8 PolarHBondContact O-N 3.09Å; M4-M253 HydrophobicContact CG-SD 4.15Å; M4-F284 HydrophobicContact CE-CE2 4.44Å
5E83.4Confident84.7Confident55 Ų5559.9 Ų59.926%0.25731%0.307SS..Hα-helixtrans-57.2-49.4178.6-173.3-175.4179.400111.2M1 N2 N7 V8 M9 M253M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; M1-E5 HydrophobicContact CG-CB 4.33Å; M1-E5 VanDerWaalsContact CG-CD 3.48Å; M1-E5 HydrophobicContact CG-CG 4.02Å; M1-E5 VanDerWaalsContact CG-OE2 3.32Å; M1-E5 WeakPolarHBondContact CG-OE2 3.26Å; N2-E5 HydrophobicContact CB-CB 4.1Å; N2-E5 PolarHBondContact N-OE2 3.33Å; N2-E5 WeakPolarHBondContact O-CB 3.44Å; N2-E5 PolarHBondContact O-N 3.4Å; E5-N7 VanDerWaalsContact C-N 3.33Å; E5-N7 PolarHBondContact O-N 3.06Å; E5-V8 PolarHBondContact O-N 2.83Å; E5-M9 WeakPolarHBondContact O-CG 3.43Å; E5-M9 PolarHBondContact O-N 2.96Å; E5-M253 HydrophobicContact CB-CE 4.17Å; E5-M253 HydrophobicContact CB-SD 4.35Å; E5-M253 HydrophobicContact CG-CE 4.32Å
6K83.6Confident85.2Confident74 Ų7457.9 Ų57.932%0.32230%0.296SS..Hα-helixtrans-55.9-42.5172.4-75.5-171.2163.8-170.10113.6M1 N2 M4 V8 M9 R10 D165M1-K6 HydrophobicContact CG-CG 3.91Å; M1-K6 HydrophobicContact SD-CD 4.36Å; M1-K6 HydrophobicContact SD-CG 3.51Å; M1-K6 VanDerWaalsContact SD-CG 3.51Å; N2-K6 PolarHBondContact O-N 3.49Å; M4-K6 PolarHBondContact O-N 3.47Å; K6-V8 VanDerWaalsContact C-N 3.31Å; K6-V8 PolarHBondContact O-N 3.48Å; K6-M9 PolarHBondContact O-N 3.17Å; K6-R10 WeakPolarHBondContact O-CB 3.37Å; K6-R10 PolarHBondContact O-N 3.33Å; K6-D165 WeakPolarHBondContact CD-OD2 3.3Å; K6-D165 WeakPolarHBondContact CE-OD2 3.37Å; K6-D165 IonicContact NZ-OD2 3.47Å; K6-D165 PolarHBondContact NZ-OD2 3Å
7N86.9Confident85.8Confident72 Ų7254.5 Ų54.539%0.38528%0.279SS..Hα-helixtrans-66.1-32.8176.8-81.1-69.8000112.3V3 M4 E5 L11V3-N7 PolarHBondContact O-N 2.97Å; V3-N7 PolarHBondContact O-ND2 3.06Å; M4-N7 WeakPolarHBondContact O-CB 3.43Å; M4-N7 PolarHBondContact O-N 3.42Å; M4-N7 VanDerWaalsContact O-N 3.1Å; E5-N7 VanDerWaalsContact C-N 3.33Å; E5-N7 PolarHBondContact O-N 3.06Å; N7-L11 WeakPolarHBondContact O-CB 3.39Å; N7-L11 PolarHBondContact O-N 3.17Å
8V89.2Confident86.2Confident5 Ų558.8 Ų58.83%0.0329%0.291CS..Hα-helixtrans-74.1-42.7174.9177.60000111.3M4 E5 K6 R10 L11 A12 V249 M252 M253 F284M4-V8 WeakPolarHBondContact O-CG2 3.47Å; M4-V8 PolarHBondContact O-N 3.09Å; E5-V8 PolarHBondContact O-N 2.83Å; K6-V8 VanDerWaalsContact C-N 3.31Å; K6-V8 PolarHBondContact O-N 3.48Å; V8-R10 VanDerWaalsContact C-N 3.32Å; V8-R10 PolarHBondContact O-N 3.36Å; V8-L11 WeakPolarHBondContact O-CB 3.31Å; V8-L11 PolarHBondContact O-N 3.31Å; V8-L11 VanDerWaalsContact O-N 3.12Å; V8-A12 PolarHBondContact O-N 2.86Å; V8-V249 HydrophobicContact CB-CG1 4.31Å; V8-V249 HydrophobicContact CG1-CB 4.46Å; V8-V249 HydrophobicContact CG1-CG1 3.91Å; V8-M252 HydrophobicContact CG1-CB 3.56Å; V8-M252 HydrophobicContact CG1-CE 4.25Å; V8-M253 HydrophobicContact CB-CG 4.29Å; V8-M253 HydrophobicContact CB-SD 4.47Å; V8-M253 HydrophobicContact CG1-CG 4.15Å; V8-M253 HydrophobicContact CG2-CG 4.07Å; V8-M253 HydrophobicContact CG2-SD 4.09Å; V8-F284 HydrophobicContact CG2-CZ 4.4Å
9M89.8Confident86.6Confident28 Ų2860.6 Ų60.614%0.13831%0.306CS..Hα-helixtrans-55.8-47.5171.8-66-155.4-50.300111.6M1 E5 K6 L11 A12 A13 L241 V249M1-M9 HydrophobicContact CE-CE 3.59Å; M1-M9 HydrophobicContact CE-SD 3.84Å; M1-M9 HydrophobicContact SD-CE 3.42Å; M1-M9 WeakPolarHBondContact SD-CE 3.15Å; M1-M9 HydrophobicContact SD-SD 4.31Å; E5-M9 WeakPolarHBondContact O-CG 3.43Å; E5-M9 PolarHBondContact O-N 2.96Å; K6-M9 PolarHBondContact O-N 3.17Å; M9-L11 VanDerWaalsContact C-N 3.3Å; M9-L11 PolarHBondContact O-N 3.35Å; M9-A12 WeakPolarHBondContact O-CB 3.43Å; M9-A12 PolarHBondContact O-N 3.25Å; M9-A13 PolarHBondContact O-N 3.39Å; M9-L241 HydrophobicContact CB-CD2 3.94Å; M9-L241 HydrophobicContact CG-CD2 3.98Å; M9-L241 HydrophobicContact SD-CB 4.24Å; M9-L241 HydrophobicContact SD-CD2 4.19Å; M9-V249 HydrophobicContact CG-CG1 4.31Å; M9-V249 HydrophobicContact CG-CG2 3.96Å
10R89.9Confident87Confident31 Ų3162 Ų6212%0.11732%0.317CS..Hα-helixtrans-59.6-40.6176-166.3-168-156.51002112.1K6 V8 A13 V14 V162 L163 D165K6-R10 WeakPolarHBondContact O-CB 3.37Å; K6-R10 PolarHBondContact O-N 3.33Å; V8-R10 VanDerWaalsContact C-N 3.32Å; V8-R10 PolarHBondContact O-N 3.36Å; R10-A13 PolarHBondContact O-N 3.45Å; R10-V14 WeakPolarHBondContact O-CB 3.24Å; R10-V14 VanDerWaalsContact O-CG2 3.24Å; R10-V14 WeakPolarHBondContact O-CG2 3.46Å; R10-V14 PolarHBondContact O-N 2.97Å; R10-V162 HydrophobicContact CG-CG1 4.5Å; R10-V162 VanDerWaalsContact NH2-C 3.29Å; R10-V162 PolarHBondContact NH2-O 3.3Å; R10-L163 PolarHBondContact NH1-O 3.15Å; R10-L163 PolarHBondContact NH2-O 3.05Å; R10-D165 IonicContact NH1-OD1 3.9Å
11L90.6Very high87.3Confident58 Ų5860.7 Ų60.730%0.30431%0.308SS..Hα-helixtrans-67-40.8177.5-177.861.3000111.7N7 V8 M9 V14 Q15 M252 V288N7-L11 WeakPolarHBondContact O-CB 3.39Å; N7-L11 PolarHBondContact O-N 3.17Å; V8-L11 WeakPolarHBondContact O-CB 3.31Å; V8-L11 PolarHBondContact O-N 3.31Å; V8-L11 VanDerWaalsContact O-N 3.12Å; M9-L11 VanDerWaalsContact C-N 3.3Å; M9-L11 PolarHBondContact O-N 3.35Å; L11-V14 PolarHBondContact O-N 2.81Å; L11-Q15 VanDerWaalsContact O-CB 3.31Å; L11-Q15 WeakPolarHBondContact O-CB 3.46Å; L11-Q15 PolarHBondContact O-N 2.73Å; L11-M252 HydrophobicContact CB-CE 4.42Å; L11-M252 HydrophobicContact CD2-CE 4.07Å; L11-M252 HydrophobicContact CG-CE 4.06Å; L11-V288 HydrophobicContact CD2-CG1 4.14Å; L11-V288 HydrophobicContact CD2-CG2 3.79Å
12A92.3Very high88.9Confident6 Ų656.4 Ų56.45%0.0530%0.299CS..Hα-helixtrans-61.4-45.6173.900000111.5V8 M9 Q15 H16 M252V8-A12 PolarHBondContact O-N 2.86Å; M9-A12 WeakPolarHBondContact O-CB 3.43Å; M9-A12 PolarHBondContact O-N 3.25Å; A12-Q15 PolarHBondContact O-N 2.9Å; A12-H16 WeakPolarHBondContact O-CB 3.5Å; A12-H16 PolarHBondContact O-N 3.12Å; A12-M252 HydrophobicContact CB-CE 4.34Å; A12-M252 HydrophobicContact CB-SD 3.99Å
13A93.4Very high89.8Confident0 Ų051.4 Ų51.40%027%0.272CS..Hα-helixtrans-61.7-47.8174.700000112.5M9 R10 Q15 H16 L17 L158 C161 V162 L241M9-A13 PolarHBondContact O-N 3.39Å; R10-A13 PolarHBondContact O-N 3.45Å; A13-Q15 VanDerWaalsContact C-N 3.27Å; A13-Q15 PolarHBondContact O-N 3.33Å; A13-H16 PolarHBondContact O-N 3.08Å; A13-L17 WeakPolarHBondContact O-CB 3.41Å; A13-L17 VanDerWaalsContact O-CG 3.29Å; A13-L17 WeakPolarHBondContact O-CG 3.47Å; A13-L17 PolarHBondContact O-N 3.48Å; A13-L158 HydrophobicContact CB-CD2 4.37Å; A13-C161 HydrophobicContact CB-CB 3.93Å; A13-V162 HydrophobicContact CB-CG2 3.82Å; A13-L241 HydrophobicContact CB-CD1 4.02Å
14V93.1Very high90.5Very high30 Ų3054.1 Ų54.118%0.18228%0.275CS..Hα-helixtrans-60.1-36175.5168.70000112.1R10 L11 R18 I25 V162R10-V14 WeakPolarHBondContact O-CB 3.24Å; R10-V14 VanDerWaalsContact O-CG2 3.24Å; R10-V14 WeakPolarHBondContact O-CG2 3.46Å; R10-V14 PolarHBondContact O-N 2.97Å; L11-V14 PolarHBondContact O-N 2.81Å; V14-R18 PolarHBondContact O-N 3.48Å; V14-I25 HydrophobicContact CG2-CD1 4.28Å; V14-V162 HydrophobicContact CG2-CB 4.38Å; V14-V162 HydrophobicContact CG2-CG1 3.57Å; V14-V162 HydrophobicContact CG2-CG2 3.75Å
15Q92.1Very high91.1Very high57 Ų5749.5 Ų49.527%0.26625%0.252SS..Hα-helixtrans-70.2-49.9176-179.1174.3-38.700111.1L11 A12 A13 L17 R18 T19L11-Q15 VanDerWaalsContact O-CB 3.31Å; L11-Q15 WeakPolarHBondContact O-CB 3.46Å; L11-Q15 PolarHBondContact O-N 2.73Å; A12-Q15 PolarHBondContact O-N 2.9Å; A13-Q15 VanDerWaalsContact C-N 3.27Å; A13-Q15 PolarHBondContact O-N 3.33Å; Q15-L17 VanDerWaalsContact C-N 3.35Å; Q15-L17 PolarHBondContact O-N 3.48Å; Q15-R18 CarbonylContact O-C 3.59Å; Q15-R18 WeakPolarHBondContact O-CA 3.34Å; Q15-R18 WeakPolarHBondContact O-CB 3.44Å; Q15-R18 PolarHBondContact O-N 3.09Å; Q15-T19 HydrophobicContact CG-CG2 4.16Å; Q15-T19 PolarHBondContact O-N 2.82Å; Q15-T19 PolarHBondContact O-OG1 3.12Å; Q15-T19 VanDerWaalsContact O-OG1 3.14Å
16H93.9Very high90.9Very high28 Ų2853.5 Ų53.513%0.1327%0.269CS..Hα-helixtrans-59.6-44.9-179.7-167.3-103.2000112A12 A13 R18 T19 V20 Y21 L158 F244 L245A12-H16 WeakPolarHBondContact O-CB 3.5Å; A12-H16 PolarHBondContact O-N 3.12Å; A13-H16 PolarHBondContact O-N 3.08Å; H16-R18 PolarHBondContact O-N 3.08Å; H16-T19 PolarHBondContact O-N 3.23Å; H16-T19 PolarHBondContact O-OG1 3.46Å; H16-V20 WeakPolarHBondContact NE2-CG2 3.46Å; H16-V20 PolarHBondContact O-N 3.22Å; H16-Y21 AromaticContact CE1-CE2 3.81Å; H16-Y21 AromaticContact ND1-CE2 3.67Å; H16-L158 WeakPolarHBondContact ND1-CD1 3.17Å; H16-F244 AromaticContact CD2-CE2 3.98Å; H16-F244 AromaticContact CE1-CE2 3.96Å; H16-F244 AromaticContact CE1-CZ 3.72Å; H16-F244 AromaticContact NE2-CE2 3.48Å; H16-F244 WeakPolarHBondContact NE2-CE2 3.38Å; H16-F244 AromaticContact NE2-CZ 3.73Å; H16-L245 HydrophobicContact CB-CD1 3.79Å; H16-L245 HydrophobicContact CB-CD2 4.18Å
17L94.4Very high90.1Very high0 Ų055 Ų550%028%0.28CS..Hα-helixtrans-56.1-34.4174-75.3169.9000112.7A13 Q15 Y21 G22 I23 I25 A155 L158 L159 V162A13-L17 WeakPolarHBondContact O-CB 3.41Å; A13-L17 VanDerWaalsContact O-CG 3.29Å; A13-L17 WeakPolarHBondContact O-CG 3.47Å; A13-L17 PolarHBondContact O-N 3.48Å; Q15-L17 VanDerWaalsContact C-N 3.35Å; Q15-L17 PolarHBondContact O-N 3.48Å; L17-Y21 HydrophobicContact CD2-CD2 4.09Å; L17-Y21 HydrophobicContact CD2-CE2 4.4Å; L17-G22 PolarHBondContact O-N 2.98Å; L17-I23 PolarHBondContact O-N 2.88Å; L17-I25 HydrophobicContact CD1-CD1 3.75Å; L17-A155 HydrophobicContact CD2-CB 3.86Å; L17-L158 HydrophobicContact CD1-CB 4.06Å; L17-L158 HydrophobicContact CD2-CB 3.82Å; L17-L158 HydrophobicContact CD2-CD1 4.3Å; L17-L158 HydrophobicContact CG-CB 3.93Å; L17-L159 HydrophobicContact CD1-CD2 3.71Å; L17-L159 HydrophobicContact CD1-CG 3.93Å; L17-V162 HydrophobicContact CD1-CG2 4.15Å
18R93.9Very high89Confident132 Ų13252.9 Ų52.950%0.49827%0.267SS..Hα-helixtrans-80.7-38.2176.4-174.6-174.1-60.6-172.80.8113.5V14 Q15 H16 G22 I23 K24V14-R18 PolarHBondContact O-N 3.48Å; Q15-R18 CarbonylContact O-C 3.59Å; Q15-R18 WeakPolarHBondContact O-CA 3.34Å; Q15-R18 WeakPolarHBondContact O-CB 3.44Å; Q15-R18 PolarHBondContact O-N 3.09Å; H16-R18 PolarHBondContact O-N 3.08Å; R18-G22 WeakPolarHBondContact O-CA 3.43Å; R18-G22 PolarHBondContact O-N 3.18Å; R18-I23 WeakPolarHBondContact CA-O 3.32Å; R18-K24 HydrophobicContact CG-CG 4.43Å
19T93.6Very high87.5Confident93 Ų9357 Ų5757%0.57129%0.289SS*.Hα-helixtrans-84.3-35-171.851.50000113.7Q15 H16Q15-T19 HydrophobicContact CG-CG2 4.16Å; Q15-T19 PolarHBondContact O-N 2.82Å; Q15-T19 PolarHBondContact O-OG1 3.12Å; Q15-T19 VanDerWaalsContact O-OG1 3.14Å; H16-T19 PolarHBondContact O-N 3.23Å; H16-T19 PolarHBondContact O-OG1 3.46Å
20V94.4Very high85.7Confident87 Ų8763.1 Ų63.153%0.52731%0.314SS..THydrogen-bonded Turntrans-92.3-61180177.30000110H16 G22H16-V20 WeakPolarHBondContact NE2-CG2 3.46Å; H16-V20 PolarHBondContact O-N 3.22Å; V20-G22 PolarHBondContact O-N 3.44Å
21Y93.9Very high83.8Confident36 Ų3665.5 Ų65.514%0.14133%0.329CS..SBendtrans-89.40.1-173-43.7-88.7000114H16 L17 I23 L146 E151 S154 A155 L158H16-Y21 AromaticContact CE1-CE2 3.81Å; H16-Y21 AromaticContact ND1-CE2 3.67Å; L17-Y21 HydrophobicContact CD2-CD2 4.09Å; L17-Y21 HydrophobicContact CD2-CE2 4.4Å; Y21-I23 WeakPolarHBondContact O-CG1 3.16Å; Y21-I23 PolarHBondContact O-N 3.28Å; Y21-L146 HydrophobicContact CD1-CD1 3.6Å; Y21-L146 HydrophobicContact CD1-CD2 4.3Å; Y21-L146 HydrophobicContact CE1-CD1 4.35Å; Y21-L146 HydrophobicContact CG-CD1 4.15Å; Y21-E151 HydrophobicContact CD1-CB 4.32Å; Y21-E151 HydrophobicContact CE1-CB 4Å; Y21-E151 HydrophobicContact CE1-CG 4.15Å; Y21-S154 WeakPolarHBondContact OH-CB 3.26Å; Y21-S154 PolarHBondContact OH-OG 3.49Å; Y21-A155 HydrophobicContact CD1-CB 3.95Å; Y21-A155 HydrophobicContact CD2-CB 4.07Å; Y21-A155 HydrophobicContact CE1-CB 3.9Å; Y21-A155 HydrophobicContact CE2-CB 4.02Å; Y21-A155 HydrophobicContact CG-CB 4Å; Y21-L158 HydrophobicContact CE2-CD1 3.84Å
22G93Very high82Confident47 Ų4766.5 Ų66.549%0.48533%0.331SS..  trans71.93.3-179.900000116L17 R18 V20 K24L17-G22 PolarHBondContact O-N 2.98Å; R18-G22 WeakPolarHBondContact O-CA 3.43Å; R18-G22 PolarHBondContact O-N 3.18Å; V20-G22 PolarHBondContact O-N 3.44Å; G22-K24 PolarHBondContact O-N 3.04Å
23I93.4Very high79.7Confident9 Ų971 Ų715%0.04637%0.368CS..  trans-78.5114-167.6-58.6-177000111.2L17 R18 Y21 I25 A139 V143 L146L17-I23 PolarHBondContact O-N 2.88Å; R18-I23 WeakPolarHBondContact CA-O 3.32Å; Y21-I23 WeakPolarHBondContact O-CG1 3.16Å; Y21-I23 PolarHBondContact O-N 3.28Å; I23-I25 HydrophobicContact CG2-CG1 4.4Å; I23-I25 PolarHBondContact O-N 3.33Å; I23-A139 HydrophobicContact CG2-CB 3.91Å; I23-V143 HydrophobicContact CD1-CB 4.21Å; I23-V143 HydrophobicContact CD1-CG2 3.29Å; I23-L146 HydrophobicContact CD1-CD1 4.44Å
24K90.3Very high77.4Confident173 Ų17376.6 Ų76.675%0.75240%0.403SS*.  trans-95.596-178.4-68.5170.6-172.6168.30110.9R18 G22R18-K24 HydrophobicContact CG-CG 4.43Å; G22-K24 PolarHBondContact O-N 3.04Å
25I87.4Confident75.2Confident18 Ų1880.2 Ų80.29%0.09243%0.429CS..  trans-74.5133.4173.5-59172.3000110.1V14 L17 I23 L136 A139 L159 V162V14-I25 HydrophobicContact CG2-CD1 4.28Å; L17-I25 HydrophobicContact CD1-CD1 3.75Å; I23-I25 HydrophobicContact CG2-CG1 4.4Å; I23-I25 PolarHBondContact O-N 3.33Å; I25-L136 HydrophobicContact CG2-CD2 3.56Å; I25-A139 HydrophobicContact CG1-CB 4.1Å; I25-L159 HydrophobicContact CD1-CD2 3.45Å; I25-L159 VanDerWaalsContact CD1-CD2 3.45Å; I25-L159 HydrophobicContact CG1-CD2 4.19Å; I25-V162 HydrophobicContact CD1-CB 4.36Å; I25-V162 HydrophobicContact CD1-CG1 3.87Å; I25-V162 HydrophobicContact CD1-CG2 4.32Å; I25-V162 HydrophobicContact CG2-CG1 4.36Å
26K78.8Confident72.9Confident140 Ų14082.1 Ų82.161%0.60945%0.448SS*.  trans-73.5142.5174.2-172.8-178.4171.1-138.70109.8W28 E135K26-W28 VanDerWaalsContact C-N 3.27Å; K26-W28 PolarHBondContact O-N 3.11Å; K26-E135 WeakPolarHBondContact CE-OE2 3.48Å; K26-E135 IonicContact NZ-OE2 3.91Å; K26-E135 PolarHBondContact NZ-OE2 2.84Å
27N67.1Low70.4Confident105 Ų10590 Ų9056%0.56148%0.482SS*.  trans-79.774.7-175.9-164.7-4.3000111.8N29N27-N29 PolarHBondContact O-N 3.19Å
28W63.9Low68.1Low27 Ų2794.4 Ų94.410%0.10251%0.509CS..G310 helixtrans-56.4-28.4-176.975.1-77.7000114K26 K30 N31 K32 E135 P164K26-W28 VanDerWaalsContact C-N 3.27Å; K26-W28 PolarHBondContact O-N 3.11Å; W28-K30 PolarHBondContact O-N 2.95Å; W28-N31 PolarHBondContact O-N 3.26Å; W28-K32 HydrophobicContact CE3-CG 4.44Å; W28-K32 HydrophobicContact CZ3-CD 3.79Å; W28-K32 HydrophobicContact CZ3-CG 3.98Å; W28-E135 WeakPolarHBondContact CA-OE1 3.49Å; W28-E135 HydrophobicContact CB-CB 3.96Å; W28-E135 HydrophobicContact CB-CG 4.34Å; W28-E135 WeakPolarHBondContact CB-OE1 3.47Å; W28-P164 HydrophobicContact CH2-CB 3.7Å; W28-P164 HydrophobicContact CH2-CG 3.68Å; W28-P164 HydrophobicContact CZ2-CB 4.3Å; W28-P164 HydrophobicContact CZ2-CG 4.17Å; W28-P164 HydrophobicContact CZ3-CB 4.25Å; W28-P164 HydrophobicContact CZ3-CG 3.86Å
29N57.4Low65.6Low92 Ų9294 Ų9449%0.49252%0.521SS..G310 helixtrans-67.45.9-174.3-155.616.3000114.3N27N27-N29 PolarHBondContact O-N 3.19Å
30K53Low63.1Low156 Ų15694.3 Ų94.368%0.67853%0.533SS*.G310 helixtrans-88.2-18.9171.8-64.5-173.7175.7-171.10113.5W28W28-K30 PolarHBondContact O-N 2.95Å
31N48.8Very low60.8Low81 Ų8196 Ų9643%0.43354%0.54SS..SBendtrans-96.3-24.5-165.7-59.5-24000113.7W28 A33 T34 E135W28-N31 PolarHBondContact O-N 3.26Å; N31-A33 PolarHBondContact O-N 2.87Å; N31-T34 PolarHBondContact O-N 3.02Å; N31-E135 PolarHBondContact ND2-OE1 2.91Å; N31-E135 PolarHBondContact ND2-OE2 3.32Å
32K53.8Low58.9Low79 Ų79106 Ų10634%0.34358%0.577SS.*THydrogen-bonded Turntrans-74.4-2.1-173.2-69.5-139.8166.4-178.50116W28 T34 E129W28-K32 HydrophobicContact CE3-CG 4.44Å; W28-K32 HydrophobicContact CZ3-CD 3.79Å; W28-K32 HydrophobicContact CZ3-CG 3.98Å; K32-T34 PolarHBondContact O-N 3.14Å; K32-E129 WeakPolarHBondContact CE-OE1 3.41Å; K32-E129 VanDerWaalsContact CE-OE2 3.24Å; K32-E129 WeakPolarHBondContact CE-OE2 3.31Å; K32-E129 VanDerWaalsContact NZ-CD 3.33Å; K32-E129 IonicContact NZ-OE1 2.9Å; K32-E129 PolarHBondContact NZ-OE1 3.41Å; K32-E129 IonicContact NZ-OE2 2.81Å; K32-E129 PolarHBondContact NZ-OE2 3.43Å
33A44.6Very low57.2Low100 Ų100109.9 Ų109.983%0.82659%0.586SS**THydrogen-bonded Turntrans-68.3-18.1172.600000113.8N31N31-A33 PolarHBondContact O-N 2.87Å
34T44.5Very low56.3Low118 Ų118118 Ų11872%0.72462%0.616SS**SBendtrans-105.2-11.4-164.4-32.10000114.6N31 K32N31-T34 PolarHBondContact O-N 3.02Å; K32-T34 PolarHBondContact O-N 3.14Å
35S46.6Very low56.1Low106 Ų106114 Ų11474%0.74160%0.599SS**  trans-115.725.8-169-161.20000115.7
36C44.2Very low56.3Low97 Ų97114.3 Ų114.366%0.65560%0.601SS**  trans-107.863.5167.3-79.20000111.3
37K41.3Very low57Low195 Ų195107.6 Ų107.685%0.84857%0.572SS**  trans-113.444.4167.3-73.4-171.3176.9-179.60111.3T39K37-T39 PolarHBondContact O-N 3.29Å; K37-T39 VanDerWaalsContact O-N 3.08Å
38T45.3Very low58.2Low91 Ų91104.2 Ų104.256%0.55856%0.562SS**  trans-67106.1176.2-36.60000109.3A40T38-A40 PolarHBondContact O-N 3.34Å
39T41.5Very low59.5Low124 Ų124104.1 Ų104.176%0.76156%0.564SS**  trans-59.1119167.146.90000108.4K37 N41K37-T39 PolarHBondContact O-N 3.29Å; K37-T39 VanDerWaalsContact O-N 3.08Å; T39-N41 PolarHBondContact O-N 3.39Å
40A41.9Very low61.2Low99 Ų99102.1 Ų102.182%0.81856%0.556SS**  trans-74.660-17100000113.4T38 R42T38-A40 PolarHBondContact O-N 3.34Å; A40-R42 PolarHBondContact O-N 3.36Å
41N46Very low63Low124 Ų12495.7 Ų95.766%0.66353%0.529SS*.  trans-82.9110174.8-160.86.2000109.1T39 L43T39-N41 PolarHBondContact O-N 3.39Å; N41-L43 PolarHBondContact O-N 3.21Å
42R53.9Low64.9Low245 Ų24596.3 Ų96.393%0.92553%0.532SS*.  trans-77.155.8-170.6-64-174.7179.4-173.50.1113.6A40A40-R42 PolarHBondContact O-N 3.36Å
43L57.2Low66.5Low129 Ų12995.3 Ų95.368%0.67554%0.536SS*.  trans-87.4137.5166.7-65.2172.2000108.8N41 K45N41-L43 PolarHBondContact O-N 3.21Å; L43-K45 PolarHBondContact O-N 2.72Å
44R73.9Confident68.8Low180 Ų18091.4 Ų91.468%0.67950%0.5SS*.  trans-74.334.4-179.8-67.5-175.7172.7-176.8-4.5113.1D102 G104R44-D102 CarbonylContact C-O 3.49Å; R44-G104 PolarHBondContact NH1-O 3.26Å; R44-G104 VanDerWaalsContact NH1-O 3.13Å
45K87.1Confident71Confident89 Ų8990 Ų9039%0.38749%0.493SS..  trans-70.9132.3-173.3-158.9175-170.1-105.40110.2L43 F47 V49 D102L43-K45 PolarHBondContact O-N 2.72Å; K45-F47 WeakPolarHBondContact CE-O 3.26Å; K45-F47 PolarHBondContact NZ-O 3.29Å; K45-V49 HydrophobicContact CB-CG2 3.94Å; K45-V49 HydrophobicContact CD-CG2 4.35Å; K45-V49 HydrophobicContact CG-CG2 4.09Å; K45-V49 WeakPolarHBondContact O-CG2 3.45Å; K45-D102 HydrophobicContact CG-CB 4.25Å; K45-D102 WeakPolarHBondContact CG-OD1 3.37Å
46V90.9Very high73.2Confident23 Ų2387 Ų8714%0.13947%0.472CS..  trans-103.3-40.6-179.4178.20000110.2F67 D102 F123V46-F67 HydrophobicContact CG1-CB 3.71Å; V46-F67 HydrophobicContact CG1-CD1 3.84Å; V46-F67 HydrophobicContact CG1-CD2 4.1Å; V46-F67 HydrophobicContact CG1-CG 3.57Å; V46-D102 PolarHBondContact N-OD1 3.39Å; V46-F123 HydrophobicContact CG1-CD2 4.26Å; V46-F123 HydrophobicContact CG1-CE2 4.33Å
47F93.9Very high75.5Confident0 Ų087.3 Ų87.30%046%0.46CS..THydrogen-bonded Turntrans-94.6137.3-173.5-62.3-90.3000111.1K45 F67 R98 L101 D102 L119 Q122 F123K45-F47 WeakPolarHBondContact CE-O 3.26Å; K45-F47 PolarHBondContact NZ-O 3.29Å; F47-F67 HydrophobicContact CE1-CE1 4.44Å; F47-F67 HydrophobicContact CE1-CZ 4.11Å; F47-F67 HydrophobicContact CZ-CE1 4.33Å; F47-F67 AromaticContact CZ-CE2 3.86Å; F47-F67 HydrophobicContact CZ-CE2 3.86Å; F47-F67 AromaticContact CZ-CZ 3.72Å; F47-F67 HydrophobicContact CZ-CZ 3.72Å; F47-R98 HydrophobicContact CD1-CG 4.43Å; F47-R98 HydrophobicContact CD2-CG 3.57Å; F47-R98 HydrophobicContact CE2-CB 4.43Å; F47-R98 HydrophobicContact CE2-CG 3.73Å; F47-R98 HydrophobicContact CG-CG 3.97Å; F47-R98 HydrophobicContact CZ-CG 4.24Å; F47-L101 HydrophobicContact CE2-CB 4.12Å; F47-L101 HydrophobicContact CE2-CD1 4.31Å; F47-L101 HydrophobicContact CZ-CD1 4.48Å; F47-D102 WeakPolarHBondContact CD2-OD1 3.14Å; F47-D102 PolarHBondContact N-OD1 2.92Å; F47-L119 HydrophobicContact CE1-CB 4.31Å; F47-L119 HydrophobicContact CE1-CD2 4.33Å; F47-L119 HydrophobicContact CZ-CB 4.09Å; F47-L119 HydrophobicContact CZ-CD1 4.39Å; F47-L119 HydrophobicContact CZ-CD2 3.95Å; F47-L119 HydrophobicContact CZ-CG 4.38Å; F47-Q122 HydrophobicContact CD1-CG 4.4Å; F47-F123 HydrophobicContact CD1-CB 4.19Å; F47-F123 HydrophobicContact CE1-CB 3.91Å
48G92.1Very high77.9Confident34 Ų3483.8 Ų83.835%0.35145%0.451SS..THydrogen-bonded Turntrans77.622.2-177.200000114.7E126G48-E126 VanDerWaalsContact CA-O 3.26Å; G48-E126 WeakPolarHBondContact CA-O 3.12Å
49V92.6Very high80Confident25 Ų2583.1 Ų83.115%0.15244%0.442CS..  trans-121138.9-174.3174.90000109.8K45 S53 L54K45-V49 HydrophobicContact CB-CG2 3.94Å; K45-V49 HydrophobicContact CD-CG2 4.35Å; K45-V49 HydrophobicContact CG-CG2 4.09Å; K45-V49 WeakPolarHBondContact O-CG2 3.45Å; V49-S53 WeakPolarHBondContact CG1-OG 3.36Å; V49-L54 HydrophobicContact CB-CD2 3.97Å; V49-L54 HydrophobicContact CG1-CD2 3.82Å; V49-L54 HydrophobicContact CG1-CG 4.17Å
50P92.2Very high82Confident49 Ų4987.2 Ų87.232%0.31845%0.453SS..  trans-60.2141.6175.6-2332.8000112.6D52 S53 P128P50-D52 PolarHBondContact O-N 3.24Å; P50-S53 PolarHBondContact O-N 2.87Å; P50-S53 PolarHBondContact O-OG 2.84Å; P50-P128 HydrophobicContact CG-CG 4.12Å
51L90.8Very high83.8Confident22 Ų2284.2 Ų84.212%0.11543%0.425CS..THydrogen-bonded Turntrans-54.3-22.9173.4-59.8172.5000113.1S53 L54 P65 F123 L127 I131L51-S53 VanDerWaalsContact C-N 3.26Å; L51-S53 PolarHBondContact O-N 3.2Å; L51-L54 HydrophobicContact CD2-CD1 4.22Å; L51-P65 HydrophobicContact CD2-CG 4.14Å; L51-F123 HydrophobicContact CD2-CZ 4.13Å; L51-L127 HydrophobicContact CD1-CD1 4.35Å; L51-L127 HydrophobicContact CD2-CD1 4.06Å; L51-L127 HydrophobicContact CD2-CD2 3.69Å; L51-L127 HydrophobicContact CG-CD1 4.33Å; L51-L127 HydrophobicContact CG-CD2 4.12Å; L51-I131 HydrophobicContact CD1-CD1 3.51Å
52D87.8Confident85.8Confident93 Ų9379.4 Ų79.450%0.49741%0.405SS..THydrogen-bonded Turntrans-69.8-18.8176.2-73-56.7000114.8P50 K166P50-D52 PolarHBondContact O-N 3.24Å; D52-K166 WeakPolarHBondContact OD1-CD 3.38Å; D52-K166 WeakPolarHBondContact OD1-CE 3.37Å; D52-K166 IonicContact OD1-NZ 3.05Å; D52-K166 PolarHBondContact OD1-NZ 2.98Å
53S89.1Confident87.6Confident59 Ų5974 Ų7441%0.41339%0.385SS..SBendtrans-119.50.1-171.938.40000114.9V49 P50 L51V49-S53 WeakPolarHBondContact CG1-OG 3.36Å; P50-S53 PolarHBondContact O-N 2.87Å; P50-S53 PolarHBondContact O-OG 2.84Å; L51-S53 VanDerWaalsContact C-N 3.26Å; L51-S53 PolarHBondContact O-N 3.2Å
54L91Very high89.4Confident17 Ų1767.9 Ų67.99%0.08935%0.353CS..SBendtrans-79.6149.2175.9-68.6172.6000111.5V49 L51 P65 F123V49-L54 HydrophobicContact CB-CD2 3.97Å; V49-L54 HydrophobicContact CG1-CD2 3.82Å; V49-L54 HydrophobicContact CG1-CG 4.17Å; L51-L54 HydrophobicContact CD2-CD1 4.22Å; L54-P65 HydrophobicContact CB-CB 4.22Å; L54-P65 HydrophobicContact CB-CG 4.45Å; L54-P65 HydrophobicContact CD1-CB 3.97Å; L54-P65 HydrophobicContact CD1-CG 3.96Å; L54-F123 HydrophobicContact CD1-CE2 3.62Å; L54-F123 HydrophobicContact CD1-CZ 3.7Å
55P91.1Very high90.4Very high88 Ų8859.5 Ų59.557%0.57132%0.321SS*.  trans-59.9135.9163.2-17.231.1000109.7P65 S66P55-P65 CarbonylContact O-C 3.59Å; P55-P65 VanDerWaalsContact O-CA 3.26Å; P55-P65 WeakPolarHBondContact O-CA 3.37Å; P55-S66 PolarHBondContact O-N 2.98Å
56C93.1Very high90.7Very high45 Ų4556.5 Ų56.530%0.30431%0.311SS..EExtended strand (participates in β ladder)trans-130.5150.1179.6-62.60000110.6R63 V64C56-R63 HydrophobicContact CB-CB 4.08Å; C56-R63 HydrophobicContact CB-CG 4.3Å; C56-V64 CarbonylContact C-O 3.56Å; C56-V64 WeakPolarHBondContact CA-O 3.47Å; C56-V64 VanDerWaalsContact CB-O 3.26Å; C56-V64 WeakPolarHBondContact CB-O 3.46Å
57Y93.1Very high90.9Very high102 Ų10255.9 Ų55.940%0.431%0.307SS..EExtended strand (participates in β ladder)trans-88.2150158.2-53.8-54.3000109.3R63 V64 V69 D70Y57-R63 WeakPolarHBondContact O-CA 3.47Å; Y57-V64 PolarHBondContact N-O 3.18Å; Y57-V64 PolarHBondContact O-N 3.47Å; Y57-V64 VanDerWaalsContact O-N 3.12Å; Y57-V69 HydrophobicContact CD2-CB 3.79Å; Y57-V69 HydrophobicContact CD2-CG1 3.99Å; Y57-V69 HydrophobicContact CD2-CG2 3.98Å; Y57-V69 HydrophobicContact CE2-CB 4.03Å; Y57-V69 HydrophobicContact CE2-CG1 4.26Å; Y57-D70 VanDerWaalsContact CE2-OD1 3.26Å; Y57-D70 WeakPolarHBondContact CE2-OD1 3.48Å; Y57-D70 PolarHBondContact OH-OD1 3.22Å; Y57-D70 PolarHBondContact OH-OD2 3.33Å
58D91.4Very high91.1Very high121 Ų12155.9 Ų55.965%0.64731%0.307SS*.EExtended strand (participates in β ladder)trans-86.2114.5164.9-67.9-73.5000107.8R63D58-R63 WeakPolarHBondContact OD1-CD 3.24Å; D58-R63 WeakPolarHBondContact OD1-CG 3.27Å; D58-R63 IonicContact OD1-CZ 2.62Å; D58-R63 IonicContact OD1-NH1 2.68Å; D58-R63 PolarHBondContact OD1-NH1 3.13Å
59M88.7Confident91.3Very high78 Ų7854.5 Ų54.538%0.38429%0.292SS..EExtended strand (participates in β ladder)trans-110.5171.5176.9-56.6-92.66800109.7C61 G62 V64 V69M59-C61 VanDerWaalsContact C-N 3.31Å; M59-C61 PolarHBondContact O-N 2.67Å; M59-G62 WeakPolarHBondContact CA-O 3.34Å; M59-G62 WeakPolarHBondContact CB-O 3.36Å; M59-G62 PolarHBondContact N-O 3.4Å; M59-G62 WeakPolarHBondContact O-CA 3.26Å; M59-G62 PolarHBondContact O-N 3.21Å; M59-V64 HydrophobicContact CG-CB 4.46Å; M59-V64 HydrophobicContact CG-CG2 4.24Å; M59-V69 HydrophobicContact SD-CG1 4.19Å; M59-V69 HydrophobicContact SD-CG2 4.4Å
60E83.5Confident91.5Very high209 Ų20955.8 Ų55.898%0.97730%0.298SS*.THydrogen-bonded Turntrans-58.1-41.3178.5-61.2-179.1173.400112.7G62E60-G62 PolarHBondContact O-N 3.16Å
61C81Confident91.7Very high36 Ų3653.5 Ų53.524%0.24328%0.283CS..THydrogen-bonded Turntrans-73.1-6.2173.864.20000113.8M59 C169 H172M59-C61 VanDerWaalsContact C-N 3.31Å; M59-C61 PolarHBondContact O-N 2.67Å; C61-C169 WeakPolarHBondContact O-CB 3.03Å; C61-C169 PolarHBondContact O-SG 3.48Å; C61-H172 HydrophobicContact CB-CB 4.16Å
62G87Confident92Very high23 Ų2352.4 Ų52.424%0.23728%0.277CS..EExtended strand (participates in β ladder)trans115.6-155.4179.700000113.7M59 E60M59-G62 WeakPolarHBondContact CA-O 3.34Å; M59-G62 WeakPolarHBondContact CB-O 3.36Å; M59-G62 PolarHBondContact N-O 3.4Å; M59-G62 WeakPolarHBondContact O-CA 3.26Å; M59-G62 PolarHBondContact O-N 3.21Å; E60-G62 PolarHBondContact O-N 3.16Å
63R91Very high92.5Very high133 Ų13353.8 Ų53.850%0.50228%0.282SS..EExtended strand (participates in β ladder)trans-82126-177.3-82.7-168.9-70.4-79.50.5113C56 Y57 D58 C169C56-R63 HydrophobicContact CB-CB 4.08Å; C56-R63 HydrophobicContact CB-CG 4.3Å; Y57-R63 WeakPolarHBondContact O-CA 3.47Å; D58-R63 WeakPolarHBondContact OD1-CD 3.24Å; D58-R63 WeakPolarHBondContact OD1-CG 3.27Å; D58-R63 IonicContact OD1-CZ 2.62Å; D58-R63 IonicContact OD1-NH1 2.68Å; D58-R63 PolarHBondContact OD1-NH1 3.13Å; R63-C169 WeakPolarHBondContact O-CB 3.34Å
64V95.1Very high92.8Very high0 Ų052.8 Ų52.80%027%0.27CS..EExtended strand (participates in β ladder)trans-126.4134.5178.8-173.30000109.2C56 Y57 M59 S66 L68 V69 V170 H173C56-V64 CarbonylContact C-O 3.56Å; C56-V64 WeakPolarHBondContact CA-O 3.47Å; C56-V64 VanDerWaalsContact CB-O 3.26Å; C56-V64 WeakPolarHBondContact CB-O 3.46Å; Y57-V64 PolarHBondContact N-O 3.18Å; Y57-V64 PolarHBondContact O-N 3.47Å; Y57-V64 VanDerWaalsContact O-N 3.12Å; M59-V64 HydrophobicContact CG-CB 4.46Å; M59-V64 HydrophobicContact CG-CG2 4.24Å; V64-S66 PolarHBondContact O-N 2.79Å; V64-L68 HydrophobicContact CG1-CB 4.41Å; V64-L68 HydrophobicContact CG1-CD2 4.02Å; V64-L68 HydrophobicContact CG1-CG 4.5Å; V64-V69 HydrophobicContact CB-CG2 3.83Å; V64-V69 HydrophobicContact CG1-CG2 3.61Å; V64-V170 HydrophobicContact CG1-CG2 4.42Å; V64-H173 HydrophobicContact CG1-CB 4.39Å; V64-H173 HydrophobicContact CG2-CB 4.03Å
65P95.6Very high93.1Very high3 Ų352 Ų522%0.01927%0.266CS..EExtended strand (participates in β ladder)trans-54.9133.9177.8-28.236000112.3L51 L54 P55 F67 L68 V69 F123 V170L51-P65 HydrophobicContact CD2-CG 4.14Å; L54-P65 HydrophobicContact CB-CB 4.22Å; L54-P65 HydrophobicContact CB-CG 4.45Å; L54-P65 HydrophobicContact CD1-CB 3.97Å; L54-P65 HydrophobicContact CD1-CG 3.96Å; P55-P65 CarbonylContact O-C 3.59Å; P55-P65 VanDerWaalsContact O-CA 3.26Å; P55-P65 WeakPolarHBondContact O-CA 3.37Å; P65-F67 PolarHBondContact O-N 3.47Å; P65-L68 WeakPolarHBondContact O-CB 3.44Å; P65-L68 PolarHBondContact O-N 2.91Å; P65-V69 PolarHBondContact O-N 3.38Å; P65-F123 HydrophobicContact CB-CZ 4.33Å; P65-F123 HydrophobicContact CG-CZ 4.29Å; P65-V170 VanDerWaalsContact CD-CG2 3.4Å; P65-V170 HydrophobicContact CG-CG2 4.28Å
66S94.1Very high93.4Very high26 Ų2651.1 Ų51.118%0.18226%0.256CS..Hα-helixtrans-55.6-50.6-172.362.30000111.6P55 V64 L68 V69 D70P55-S66 PolarHBondContact O-N 2.98Å; V64-S66 PolarHBondContact O-N 2.79Å; S66-L68 PolarHBondContact O-N 3.33Å; S66-V69 CarbonylContact O-C 3.52Å; S66-V69 WeakPolarHBondContact O-CA 3.3Å; S66-V69 PolarHBondContact O-N 2.9Å; S66-D70 PolarHBondContact O-N 3.42Å
67F95.6Very high93.5Very high10 Ų1052.2 Ų52.24%0.04427%0.268CS..Hα-helixtrans-47.7-38.2175.8161.8-94.5000113.7V46 F47 P65 D70 A71 L101 L108 L119 V120 F123V46-F67 HydrophobicContact CG1-CB 3.71Å; V46-F67 HydrophobicContact CG1-CD1 3.84Å; V46-F67 HydrophobicContact CG1-CD2 4.1Å; V46-F67 HydrophobicContact CG1-CG 3.57Å; F47-F67 HydrophobicContact CE1-CE1 4.44Å; F47-F67 HydrophobicContact CE1-CZ 4.11Å; F47-F67 HydrophobicContact CZ-CE1 4.33Å; F47-F67 AromaticContact CZ-CE2 3.86Å; F47-F67 HydrophobicContact CZ-CE2 3.86Å; F47-F67 AromaticContact CZ-CZ 3.72Å; F47-F67 HydrophobicContact CZ-CZ 3.72Å; P65-F67 PolarHBondContact O-N 3.47Å; F67-D70 PolarHBondContact N-OD2 3.22Å; F67-A71 HydrophobicContact CE2-CB 4.47Å; F67-A71 HydrophobicContact CZ-CB 4.43Å; F67-A71 WeakPolarHBondContact O-CB 3.38Å; F67-A71 PolarHBondContact O-N 2.96Å; F67-L101 HydrophobicContact CD2-CD1 4.34Å; F67-L101 HydrophobicContact CE2-CD1 3.97Å; F67-L108 HydrophobicContact CD2-CD1 4.11Å; F67-L108 HydrophobicContact CE2-CD1 4.42Å; F67-L108 HydrophobicContact CE2-CD2 4.28Å; F67-L119 HydrophobicContact CE2-CB 4.46Å; F67-L119 HydrophobicContact CZ-CB 4.04Å; F67-V120 HydrophobicContact CZ-CG2 4.49Å; F67-F123 HydrophobicContact CD1-CB 4.47Å; F67-F123 AromaticContact CD1-CD2 3.82Å; F67-F123 HydrophobicContact CD1-CD2 3.82Å; F67-F123 HydrophobicContact CD1-CE2 4.16Å; F67-F123 HydrophobicContact CD1-CG 4.04Å; F67-F123 HydrophobicContact CE1-CB 3.65Å; F67-F123 HydrophobicContact CE1-CD1 4.3Å; F67-F123 AromaticContact CE1-CD2 3.85Å; F67-F123 HydrophobicContact CE1-CD2 3.85Å; F67-F123 AromaticContact CE1-CG 3.68Å; F67-F123 HydrophobicContact CE1-CG 3.68Å; F67-F123 HydrophobicContact CZ-CB 4.4Å
68L96.8Very high93.7Very high0 Ų051.2 Ų51.20%027%0.267CS..Hα-helixtrans-72.6-42.1-179.8-177.364.5000110.9V64 P65 S66 C72 V120 F124 V170 F174V64-L68 HydrophobicContact CG1-CB 4.41Å; V64-L68 HydrophobicContact CG1-CD2 4.02Å; V64-L68 HydrophobicContact CG1-CG 4.5Å; P65-L68 WeakPolarHBondContact O-CB 3.44Å; P65-L68 PolarHBondContact O-N 2.91Å; S66-L68 PolarHBondContact O-N 3.33Å; L68-C72 VanDerWaalsContact O-CB 3.25Å; L68-C72 WeakPolarHBondContact O-CB 3.49Å; L68-C72 PolarHBondContact O-N 2.94Å; L68-C72 PolarHBondContact O-SG 2.88Å; L68-C72 VanDerWaalsContact O-SG 3.36Å; L68-V120 HydrophobicContact CD1-CG1 4.09Å; L68-F124 HydrophobicContact CD1-CE2 3.95Å; L68-F124 HydrophobicContact CD1-CZ 3.86Å; L68-F124 HydrophobicContact CD2-CE1 4.42Å; L68-F124 HydrophobicContact CD2-CZ 3.8Å; L68-V170 HydrophobicContact CD2-CG1 3.72Å; L68-F174 HydrophobicContact CD1-CD2 4.15Å
69V96.6Very high93.9Very high6 Ų645.6 Ų45.64%0.03624%0.237CC..Hα-helixtrans-65.1-48.8175.5-1770000110.4Y57 M59 V64 P65 S66 A71 C72 M73Y57-V69 HydrophobicContact CD2-CB 3.79Å; Y57-V69 HydrophobicContact CD2-CG1 3.99Å; Y57-V69 HydrophobicContact CD2-CG2 3.98Å; Y57-V69 HydrophobicContact CE2-CB 4.03Å; Y57-V69 HydrophobicContact CE2-CG1 4.26Å; M59-V69 HydrophobicContact SD-CG1 4.19Å; M59-V69 HydrophobicContact SD-CG2 4.4Å; V64-V69 HydrophobicContact CB-CG2 3.83Å; V64-V69 HydrophobicContact CG1-CG2 3.61Å; P65-V69 PolarHBondContact O-N 3.38Å; S66-V69 CarbonylContact O-C 3.52Å; S66-V69 WeakPolarHBondContact O-CA 3.3Å; S66-V69 PolarHBondContact O-N 2.9Å; V69-A71 VanDerWaalsContact C-N 3.3Å; V69-A71 PolarHBondContact O-N 3.32Å; V69-C72 PolarHBondContact O-N 3.03Å; V69-M73 HydrophobicContact CG1-CG 4.43Å; V69-M73 HydrophobicContact CG1-SD 4.05Å; V69-M73 WeakPolarHBondContact O-CB 3.41Å; V69-M73 WeakPolarHBondContact O-CG 3.46Å; V69-M73 PolarHBondContact O-N 3.4Å
70D96.1Very high94.3Very high52 Ų5246 Ų4628%0.27824%0.238SC..Hα-helixtrans-58.2-42.7178.2-54.9-40.6000110.8Y57 S66 F67 K74 L108Y57-D70 VanDerWaalsContact CE2-OD1 3.26Å; Y57-D70 WeakPolarHBondContact CE2-OD1 3.48Å; Y57-D70 PolarHBondContact OH-OD1 3.22Å; Y57-D70 PolarHBondContact OH-OD2 3.33Å; S66-D70 PolarHBondContact O-N 3.42Å; F67-D70 PolarHBondContact N-OD2 3.22Å; D70-K74 WeakPolarHBondContact O-CB 3.33Å; D70-K74 PolarHBondContact O-N 3.49Å; D70-L108 HydrophobicContact CB-CD1 3.66Å
71A97.4Very high94.8Very high0 Ų037.8 Ų37.80%020%0.203CC..Hα-helixtrans-69.8-44.1176.100000112.7F67 V69 K74 L75 L108 V116 V120F67-A71 HydrophobicContact CE2-CB 4.47Å; F67-A71 HydrophobicContact CZ-CB 4.43Å; F67-A71 WeakPolarHBondContact O-CB 3.38Å; F67-A71 PolarHBondContact O-N 2.96Å; V69-A71 VanDerWaalsContact C-N 3.3Å; V69-A71 PolarHBondContact O-N 3.32Å; A71-K74 PolarHBondContact O-N 3.46Å; A71-L75 WeakPolarHBondContact O-CB 3.29Å; A71-L75 VanDerWaalsContact O-CG 3.28Å; A71-L75 WeakPolarHBondContact O-CG 3.33Å; A71-L75 PolarHBondContact O-N 3.07Å; A71-L108 HydrophobicContact CB-CD1 4.39Å; A71-V116 HydrophobicContact CB-CG1 3.74Å; A71-V120 HydrophobicContact CB-CG2 3.67Å
72C97.5Very high95.6Very high0 Ų040.7 Ų40.70%021%0.213CC..Hα-helixtrans-63.3-42.4176.9-79.40000111.4L68 V69 L75 L76 F177L68-C72 VanDerWaalsContact O-CB 3.25Å; L68-C72 WeakPolarHBondContact O-CB 3.49Å; L68-C72 PolarHBondContact O-N 2.94Å; L68-C72 PolarHBondContact O-SG 2.88Å; L68-C72 VanDerWaalsContact O-SG 3.36Å; V69-C72 PolarHBondContact O-N 3.03Å; C72-L75 PolarHBondContact O-N 2.87Å; C72-L76 WeakPolarHBondContact O-CG 3.42Å; C72-L76 PolarHBondContact O-N 2.91Å; C72-F177 HydrophobicContact CB-CB 4.36Å; C72-F177 HydrophobicContact CB-CD2 3.74Å; C72-F177 HydrophobicContact CB-CE2 4.24Å; C72-F177 HydrophobicContact CB-CG 3.94Å; C72-F177 VanDerWaalsContact SG-CD1 3.59Å; C72-F177 WeakPolarHBondContact SG-CG 3.29Å
73M96.8Very high96Very high121 Ų12139.6 Ų39.660%0.59620%0.201SC*.Hα-helixtrans-58.5-47.6171.7-74.7176.66000111.9V69 L75 L76 A77V69-M73 HydrophobicContact CG1-CG 4.43Å; V69-M73 HydrophobicContact CG1-SD 4.05Å; V69-M73 WeakPolarHBondContact O-CB 3.41Å; V69-M73 WeakPolarHBondContact O-CG 3.46Å; V69-M73 PolarHBondContact O-N 3.4Å; M73-L75 VanDerWaalsContact C-N 3.25Å; M73-L75 PolarHBondContact O-N 2.97Å; M73-L76 PolarHBondContact O-N 3.2Å; M73-A77 PolarHBondContact O-N 3.17Å
74K96.6Very high96.1Very high39 Ų3933.3 Ų33.317%0.1718%0.177CC..Hα-helixtrans-62.1-30.8176.5176.458.7-175.9177.30112.8D70 A71 H78 P109 A111 V116D70-K74 WeakPolarHBondContact O-CB 3.33Å; D70-K74 PolarHBondContact O-N 3.49Å; A71-K74 PolarHBondContact O-N 3.46Å; K74-H78 PolarHBondContact NZ-CD2 2.76Å; K74-H78 PolarHBondContact O-CD2 3.1Å; K74-P109 VanDerWaalsContact CE-O 3.28Å; K74-P109 WeakPolarHBondContact CE-O 3.48Å; K74-P109 PolarHBondContact NZ-O 2.71Å; K74-A111 WeakPolarHBondContact CE-O 3.29Å; K74-V116 HydrophobicContact CG-CG2 4.3Å
75L97.4Very high96.2Very high0 Ų033.3 Ų33.30%018%0.178CC..Hα-helixtrans-81.1-33.7176.3-68.1-178.9000113A71 C72 M73 A77 H78 V79 L84 F85 P113 V116 A117 V120 F177A71-L75 WeakPolarHBondContact O-CB 3.29Å; A71-L75 VanDerWaalsContact O-CG 3.28Å; A71-L75 WeakPolarHBondContact O-CG 3.33Å; A71-L75 PolarHBondContact O-N 3.07Å; C72-L75 PolarHBondContact O-N 2.87Å; M73-L75 VanDerWaalsContact C-N 3.25Å; M73-L75 PolarHBondContact O-N 2.97Å; L75-A77 VanDerWaalsContact C-N 3.33Å; L75-H78 CarbonylContact O-C 3.34Å; L75-H78 VanDerWaalsContact O-C 3.3Å; L75-H78 PolarHBondContact O-N 3.19Å; L75-H78 VanDerWaalsContact O-N 3.17Å; L75-V79 WeakPolarHBondContact O-CA 3.24Å; L75-V79 PolarHBondContact O-N 2.68Å; L75-V79 VanDerWaalsContact O-N 3.13Å; L75-L84 HydrophobicContact CD2-CD2 3.76Å; L75-F85 HydrophobicContact CD1-CE1 4.25Å; L75-F85 HydrophobicContact CD1-CE2 4.28Å; L75-F85 HydrophobicContact CD1-CZ 3.6Å; L75-P113 HydrophobicContact CD2-CB 3.97Å; L75-P113 WeakPolarHBondContact CD2-O 3.41Å; L75-V116 HydrophobicContact CD1-CG1 4.22Å; L75-V116 HydrophobicContact CD2-CB 3.94Å; L75-V116 HydrophobicContact CD2-CG1 3.99Å; L75-V116 HydrophobicContact CG-CB 4.41Å; L75-V116 HydrophobicContact CG-CG1 3.9Å; L75-A117 HydrophobicContact CD1-CB 4.14Å; L75-A117 HydrophobicContact CD2-CB 4.33Å; L75-V120 HydrophobicContact CD1-CG2 4.46Å; L75-F177 HydrophobicContact CB-CE2 3.64Å; L75-F177 HydrophobicContact CB-CZ 3.69Å; L75-F177 HydrophobicContact CD1-CZ 3.82Å; L75-F177 HydrophobicContact CG-CZ 4.42Å
76L96.8Very high96.3Very high70 Ų7038.3 Ų38.337%0.36620%0.196SC..Hα-helixtrans-64.7-37.3172.9-72.6169.3000112C72 M73 H78 V79 F177C72-L76 WeakPolarHBondContact O-CG 3.42Å; C72-L76 PolarHBondContact O-N 2.91Å; M73-L76 PolarHBondContact O-N 3.2Å; L76-H78 PolarHBondContact O-N 3.49Å; L76-H78 VanDerWaalsContact O-N 3.1Å; L76-V79 WeakPolarHBondContact O-CG1 3.37Å; L76-V79 PolarHBondContact O-N 2.76Å; L76-F177 HydrophobicContact CD1-CD2 4.17Å; L76-F177 HydrophobicContact CD2-CD2 3.81Å; L76-F177 HydrophobicContact CD2-CE2 4.13Å; L76-F177 HydrophobicContact CG-CD2 3.69Å; L76-F177 HydrophobicContact CG-CE2 3.96Å
77A96.6Very high96.3Very high67 Ų6741.3 Ų41.355%0.55421%0.206SC*.THydrogen-bonded Turntrans-68.50.1174.200000114.5M73 L75M73-A77 PolarHBondContact O-N 3.17Å; L75-A77 VanDerWaalsContact C-N 3.33Å
78H96Very high96.1Very high82 Ų8245.4 Ų45.438%0.3824%0.236SC..THydrogen-bonded Turntrans-14431.1177.6-66.8-64.3000111.4K74 L75 L76 E80 T81 P113K74-H78 PolarHBondContact NZ-CD2 2.76Å; K74-H78 PolarHBondContact O-CD2 3.1Å; L75-H78 CarbonylContact O-C 3.34Å; L75-H78 VanDerWaalsContact O-C 3.3Å; L75-H78 PolarHBondContact O-N 3.19Å; L75-H78 VanDerWaalsContact O-N 3.17Å; L76-H78 PolarHBondContact O-N 3.49Å; L76-H78 VanDerWaalsContact O-N 3.1Å; H78-E80 VanDerWaalsContact C-N 3.25Å; H78-E80 IonicContact CE1-OE1 3.2Å; H78-E80 PolarHBondContact O-N 2.98Å; H78-T81 WeakPolarHBondContact O-CB 3.24Å; H78-T81 PolarHBondContact O-N 3.16Å; H78-T81 PolarHBondContact O-OG1 2.62Å; H78-P113 HydrophobicContact CB-CB 4.24Å; H78-P113 HydrophobicContact CB-CG 3.55Å
79V96.6Very high95.7Very high3 Ų346.1 Ų46.12%0.01824%0.243CC..THydrogen-bonded Turntrans-66.5-23.7-168.859.70000113.7L75 L76 T81 V181 R184 N188L75-V79 WeakPolarHBondContact O-CA 3.24Å; L75-V79 PolarHBondContact O-N 2.68Å; L75-V79 VanDerWaalsContact O-N 3.13Å; L76-V79 WeakPolarHBondContact O-CG1 3.37Å; L76-V79 PolarHBondContact O-N 2.76Å; V79-T81 PolarHBondContact O-N 3.19Å; V79-V181 HydrophobicContact CG2-CB 4.33Å; V79-V181 HydrophobicContact CG2-CG2 4.07Å; V79-R184 HydrophobicContact CG2-CB 4.41Å; V79-R184 HydrophobicContact CG2-CG 4.44Å; V79-N188 VanDerWaalsContact O-CB 3.27Å; V79-N188 WeakPolarHBondContact O-CB 3.48Å; V79-N188 PolarHBondContact O-ND2 3.45Å
80E95.6Very high95.6Very high86 Ų8648.3 Ų48.340%0.40226%0.258SS..THydrogen-bonded Turntrans-67.7-9.6170.666.1-75.3167.400113.6H78 E82 R184 E187H78-E80 VanDerWaalsContact C-N 3.25Å; H78-E80 IonicContact CE1-OE1 3.2Å; H78-E80 PolarHBondContact O-N 2.98Å; E80-E82 PolarHBondContact O-N 3.23Å; E80-R184 IonicContact OE2-NH1 2.74Å; E80-E187 HydrophobicContact CB-CB 4.43Å; E80-E187 WeakPolarHBondContact CB-OE2 3.27Å
81T95.6Very high95.5Very high37 Ų3750.3 Ų50.323%0.22727%0.272CS..  trans-61.9108.2-179.3-59.60000111.5H78 V79 G83 L84 P113H78-T81 WeakPolarHBondContact O-CB 3.24Å; H78-T81 PolarHBondContact O-N 3.16Å; H78-T81 PolarHBondContact O-OG1 2.62Å; V79-T81 PolarHBondContact O-N 3.19Å; T81-G83 PolarHBondContact O-N 2.96Å; T81-L84 HydrophobicContact CG2-CG 4.49Å; T81-L84 WeakPolarHBondContact O-CG 3.35Å; T81-L84 PolarHBondContact O-N 3.47Å; T81-P113 HydrophobicContact CG2-CB 4.28Å
82E96.3Very high95.5Very high97 Ų9754.7 Ų54.745%0.45330%0.299SS..THydrogen-bonded Turntrans-46.3127176.4-78.4-161.9150.700113.9E80 K87 N188E80-E82 PolarHBondContact O-N 3.23Å; E82-K87 VanDerWaalsContact O-CD 3.22Å; E82-K87 WeakPolarHBondContact O-CD 3.19Å; E82-K87 WeakPolarHBondContact O-CE 3.48Å; E82-K87 PolarHBondContact O-NZ 3.35Å; E82-K87 IonicContact OE2-NZ 3.98Å; E82-K87 PolarHBondContact OE2-NZ 3.46Å; E82-N188 CarbonylContact C-O 3.3Å; E82-N188 WeakPolarHBondContact CA-O 3.35Å
83G95.3Very high95.3Very high0 Ų058.6 Ų58.60%031%0.314CS..THydrogen-bonded Turntrans71.130.7172.100000113.3T81 F85 R86 K87 N188T81-G83 PolarHBondContact O-N 2.96Å; G83-F85 PolarHBondContact O-N 2.87Å; G83-R86 CarbonylContact O-C 3.53Å; G83-R86 WeakPolarHBondContact O-CA 3.09Å; G83-R86 WeakPolarHBondContact O-CB 3.22Å; G83-R86 PolarHBondContact O-N 3.05Å; G83-K87 PolarHBondContact O-N 3.09Å; G83-N188 PolarHBondContact N-O 3.45Å
84L95Very high95.3Very high0 Ų054.1 Ų54.10%029%0.292CS..THydrogen-bonded Turntrans-45.6138.1166.3-89167.9000111.2L75 T81 R86 P113 A117 M190L75-L84 HydrophobicContact CD2-CD2 3.76Å; T81-L84 HydrophobicContact CG2-CG 4.49Å; T81-L84 WeakPolarHBondContact O-CG 3.35Å; T81-L84 PolarHBondContact O-N 3.47Å; L84-R86 PolarHBondContact O-N 3.04Å; L84-P113 HydrophobicContact CD2-CB 4.02Å; L84-A117 HydrophobicContact CD2-CB 4.17Å; L84-M190 WeakPolarHBondContact O-CE 3.33Å; L84-M190 WeakPolarHBondContact O-CG 3.36Å
85F96.7Very high95.2Very high1 Ų158.8 Ų58.80%0.00431%0.312CS..THydrogen-bonded Turntrans60.8-26-168.9-55.6-81.6000116.7L75 G83 A117 V120 K121 F177 L178 L195 I198 L199L75-F85 HydrophobicContact CD1-CE1 4.25Å; L75-F85 HydrophobicContact CD1-CE2 4.28Å; L75-F85 HydrophobicContact CD1-CZ 3.6Å; G83-F85 PolarHBondContact O-N 2.87Å; F85-A117 HydrophobicContact CD1-CB 3.72Å; F85-A117 HydrophobicContact CE1-CB 3.78Å; F85-A117 HydrophobicContact CG-CB 4.11Å; F85-A117 HydrophobicContact CZ-CB 4.19Å; F85-V120 HydrophobicContact CE1-CB 4.11Å; F85-V120 HydrophobicContact CE1-CG1 4.05Å; F85-K121 HydrophobicContact CB-CD 4.5Å; F85-K121 HydrophobicContact CD1-CD 4.34Å; F85-K121 HydrophobicContact CD1-CG 4.03Å; F85-K121 PolarHBondContact O-NZ 3.42Å; F85-F177 AromaticContact CE2-CE1 3.7Å; F85-F177 HydrophobicContact CE2-CE1 3.7Å; F85-F177 AromaticContact CE2-CZ 3.85Å; F85-F177 HydrophobicContact CE2-CZ 3.85Å; F85-F177 AromaticContact CZ-CE1 3.55Å; F85-F177 HydrophobicContact CZ-CE1 3.55Å; F85-F177 AromaticContact CZ-CZ 3.83Å; F85-F177 HydrophobicContact CZ-CZ 3.83Å; F85-L178 HydrophobicContact CE2-CD2 4.1Å; F85-L195 HydrophobicContact CB-CD2 4.36Å; F85-L195 HydrophobicContact CD2-CD2 3.69Å; F85-L195 HydrophobicContact CG-CD2 4.36Å; F85-I198 HydrophobicContact CB-CG2 4.1Å; F85-L199 HydrophobicContact CD1-CD2 3.99Å; F85-L199 HydrophobicContact CE1-CD2 4.46Å; F85-L199 HydrophobicContact CG-CD2 4.43Å
86R96.6Very high95.1Very high107 Ų10764 Ų6440%0.40434%0.337SS..THydrogen-bonded Turntrans-80.5-59.4177.6-170.4172.377.6-146.71.8112.5G83 L84 S88 K189 M190 I198G83-R86 CarbonylContact O-C 3.53Å; G83-R86 WeakPolarHBondContact O-CA 3.09Å; G83-R86 WeakPolarHBondContact O-CB 3.22Å; G83-R86 PolarHBondContact O-N 3.05Å; L84-R86 PolarHBondContact O-N 3.04Å; R86-S88 PolarHBondContact O-N 3.44Å; R86-K189 PolarHBondContact NH1-O 2.87Å; R86-M190 HydrophobicContact CB-CE 4.07Å; R86-M190 HydrophobicContact CB-SD 3.63Å; R86-M190 HydrophobicContact CG-SD 4.45Å; R86-M190 PolarHBondContact NH1-SD 3.19Å; R86-I198 HydrophobicContact CB-CD1 3.69Å; R86-I198 HydrophobicContact CG-CD1 4.14Å
87K94.6Very high95.1Very high90 Ų9061.6 Ų61.639%0.39132%0.324SS..SBendtrans-64.7125.1175.5-64.9-175.7-167.6172.70108.6E82 G83E82-K87 VanDerWaalsContact O-CD 3.22Å; E82-K87 WeakPolarHBondContact O-CD 3.19Å; E82-K87 WeakPolarHBondContact O-CE 3.48Å; E82-K87 PolarHBondContact O-NZ 3.35Å; E82-K87 IonicContact OE2-NZ 3.98Å; E82-K87 PolarHBondContact OE2-NZ 3.46Å; G83-K87 PolarHBondContact O-N 3.09Å
88S90.9Very high95Very high96 Ų9660.3 Ų60.367%0.67131%0.305SS*.PPolyproline II helixtrans-92.2139.1-176.9-69.20000112R86R86-S88 PolarHBondContact O-N 3.44Å
89G89.2Confident94.9Very high14 Ų1459.2 Ų59.214%0.14431%0.31CS..PPolyproline II helixtrans-65171.4171.400000113.8V91 D115G89-V91 PolarHBondContact O-N 2.98Å; G89-D115 WeakPolarHBondContact CA-OD1 3.41Å
90S94.3Very high94.8Very high52 Ų5263.3 Ų63.336%0.36433%0.328SS..PPolyproline II helixtrans-69.6123.4173.2169.80000109.3V92 R93 L94 D115S90-V92 PolarHBondContact O-N 3.16Å; S90-V92 VanDerWaalsContact O-N 3.13Å; S90-R93 PolarHBondContact O-N 3.48Å; S90-R93 VanDerWaalsContact O-N 3.15Å; S90-L94 VanDerWaalsContact O-CB 3.27Å; S90-L94 WeakPolarHBondContact O-CB 3.27Å; S90-L94 PolarHBondContact O-N 3.09Å; S90-D115 PolarHBondContact N-OD1 3.23Å
91V94.3Very high94.8Very high95 Ų9559.9 Ų59.958%0.57631%0.312SS*.Hα-helixtrans-59-28.8-177.1179.40000112.5G89 K95G89-V91 PolarHBondContact O-N 2.98Å; V91-K95 HydrophobicContact CG1-CD 4.47Å; V91-K95 WeakPolarHBondContact O-CD 3.25Å; V91-K95 VanDerWaalsContact O-CG 3.25Å; V91-K95 WeakPolarHBondContact O-CG 3.42Å; V91-K95 PolarHBondContact O-N 2.85Å
92V96.1Very high94.7Very high92 Ų9259.5 Ų59.556%0.55831%0.308SS*.Hα-helixtrans-71.5-56.5175-1790000110S90 L94 K95 E96S90-V92 PolarHBondContact O-N 3.16Å; S90-V92 VanDerWaalsContact O-N 3.13Å; V92-L94 PolarHBondContact O-N 3.23Å; V92-K95 WeakPolarHBondContact O-CB 3.44Å; V92-K95 PolarHBondContact O-N 3.42Å; V92-E96 WeakPolarHBondContact CG1-OE1 3.35Å; V92-E96 WeakPolarHBondContact O-CG 3.34Å; V92-E96 PolarHBondContact O-N 3.17Å
93R95.2Very high94.4Very high82 Ų8257.8 Ų57.831%0.30931%0.311SS..Hα-helixtrans-60.4-33.1179.3-167.5172.863-115.4-9.2112.9S90 E96 L97 D115S90-R93 PolarHBondContact O-N 3.48Å; S90-R93 VanDerWaalsContact O-N 3.15Å; R93-E96 PolarHBondContact O-N 2.8Å; R93-L97 VanDerWaalsContact O-CB 3.22Å; R93-L97 WeakPolarHBondContact O-CB 3.27Å; R93-L97 PolarHBondContact O-N 2.8Å; R93-D115 IonicContact CZ-OD1 2.72Å; R93-D115 IonicContact CZ-OD2 3.59Å; R93-D115 VanDerWaalsContact CZ-OD2 3.26Å; R93-D115 IonicContact NE-OD1 2.97Å; R93-D115 IonicContact NE-OD2 3.75Å; R93-D115 PolarHBondContact NE-OD2 3.38Å; R93-D115 VanDerWaalsContact NH2-CG 3.29Å; R93-D115 IonicContact NH2-OD1 2.68Å; R93-D115 PolarHBondContact NH2-OD1 3.29Å; R93-D115 IonicContact NH2-OD2 3.8Å; R93-D115 PolarHBondContact NH2-OD2 2.96Å
94L95.5Very high94.1Very high26 Ų2659.2 Ų59.214%0.13633%0.325CS..Hα-helixtrans-65.9-41.2174.7-170.471.7000111.7S90 V92 R98 D115 L119S90-L94 VanDerWaalsContact O-CB 3.27Å; S90-L94 WeakPolarHBondContact O-CB 3.27Å; S90-L94 PolarHBondContact O-N 3.09Å; V92-L94 PolarHBondContact O-N 3.23Å; L94-R98 WeakPolarHBondContact O-CB 3.33Å; L94-R98 PolarHBondContact O-N 3.34Å; L94-D115 HydrophobicContact CD1-CB 4.37Å; L94-D115 WeakPolarHBondContact CD1-O 3.2Å; L94-L119 HydrophobicContact CD1-CD2 3.59Å; L94-L119 HydrophobicContact CD1-CG 3.69Å; L94-L119 HydrophobicContact CG-CD2 4.06Å
95K95.2Very high93.9Very high138 Ų13863.5 Ų63.560%0.635%0.345SS*.Hα-helixtrans-67.8-40.5175-74.3169.9-179.9-179.60111.9V91 V92 A99V91-K95 HydrophobicContact CG1-CD 4.47Å; V91-K95 WeakPolarHBondContact O-CD 3.25Å; V91-K95 VanDerWaalsContact O-CG 3.25Å; V91-K95 WeakPolarHBondContact O-CG 3.42Å; V91-K95 PolarHBondContact O-N 2.85Å; V92-K95 WeakPolarHBondContact O-CB 3.44Å; V92-K95 PolarHBondContact O-N 3.42Å; K95-A99 WeakPolarHBondContact O-CB 3.43Å; K95-A99 PolarHBondContact O-N 2.93Å
96E95.7Very high93.6Very high109 Ų10969.9 Ų69.951%0.50938%0.379SS..Hα-helixtrans-61.9-51.5174.8-68.7164.6177.800111.1V92 R93 R98 A99 K100V92-E96 WeakPolarHBondContact CG1-OE1 3.35Å; V92-E96 WeakPolarHBondContact O-CG 3.34Å; V92-E96 PolarHBondContact O-N 3.17Å; R93-E96 PolarHBondContact O-N 2.8Å; E96-R98 VanDerWaalsContact C-N 3.32Å; E96-R98 PolarHBondContact O-N 3.18Å; E96-A99 PolarHBondContact O-N 3.48Å; E96-A99 VanDerWaalsContact O-N 3.11Å; E96-K100 WeakPolarHBondContact O-CG 3.42Å; E96-K100 PolarHBondContact O-N 2.87Å
97L96Very high93.4Very high19 Ų1965.5 Ų65.510%0.09937%0.365CS..Hα-helixtrans-60-42178.1-170.370.3000111.5R93 K100 L101 C107 A111 D115 L119R93-L97 VanDerWaalsContact O-CB 3.22Å; R93-L97 WeakPolarHBondContact O-CB 3.27Å; R93-L97 PolarHBondContact O-N 2.8Å; L97-K100 PolarHBondContact O-N 3.39Å; L97-L101 HydrophobicContact CG-CD1 4.45Å; L97-L101 VanDerWaalsContact O-CG 3.31Å; L97-L101 WeakPolarHBondContact O-CG 3.46Å; L97-L101 PolarHBondContact O-N 3.42Å; L97-L101 VanDerWaalsContact O-N 3.13Å; L97-C107 HydrophobicContact CD1-CB 4.03Å; L97-C107 VanDerWaalsContact CD1-SG 3.53Å; L97-A111 HydrophobicContact CD1-CB 3.94Å; L97-A111 HydrophobicContact CD2-CB 3.63Å; L97-A111 HydrophobicContact CG-CB 4.46Å; L97-D115 HydrophobicContact CD2-CB 4.07Å; L97-L119 HydrophobicContact CB-CD1 4.45Å; L97-L119 HydrophobicContact CD2-CD1 3.52Å; L97-L119 HydrophobicContact CD2-CG 4.33Å; L97-L119 HydrophobicContact CG-CD1 3.81Å
98R94.9Very high93.3Very high40 Ų4061.6 Ų61.615%0.15135%0.348CS..Hα-helixtrans-60.8-43.6172.9-176.5-118.3170.4100.4-0.3112.4F47 L94 E96 K100 L101 D102 L119 E126F47-R98 HydrophobicContact CD1-CG 4.43Å; F47-R98 HydrophobicContact CD2-CG 3.57Å; F47-R98 HydrophobicContact CE2-CB 4.43Å; F47-R98 HydrophobicContact CE2-CG 3.73Å; F47-R98 HydrophobicContact CG-CG 3.97Å; F47-R98 HydrophobicContact CZ-CG 4.24Å; L94-R98 WeakPolarHBondContact O-CB 3.33Å; L94-R98 PolarHBondContact O-N 3.34Å; E96-R98 VanDerWaalsContact C-N 3.32Å; E96-R98 PolarHBondContact O-N 3.18Å; R98-K100 VanDerWaalsContact C-N 3.35Å; R98-K100 PolarHBondContact O-N 3.37Å; R98-L101 PolarHBondContact O-N 2.68Å; R98-D102 IonicContact CZ-OD2 3.39Å; R98-D102 IonicContact NE-OD2 2.71Å; R98-D102 PolarHBondContact NE-OD2 2.9Å; R98-D102 IonicContact NH2-OD2 3.74Å; R98-D102 PolarHBondContact NH2-OD2 3.41Å; R98-D102 WeakPolarHBondContact O-CB 3.42Å; R98-D102 PolarHBondContact O-N 2.94Å; R98-L119 HydrophobicContact CB-CD2 3.75Å; R98-L119 HydrophobicContact CG-CD2 4.37Å; R98-E126 IonicContact CZ-OE1 2.89Å; R98-E126 IonicContact CZ-OE2 3.56Å; R98-E126 IonicContact NH1-OE1 3.26Å; R98-E126 PolarHBondContact NH1-OE1 3.08Å; R98-E126 IonicContact NH1-OE2 2.77Å; R98-E126 PolarHBondContact NH1-OE2 2.96Å; R98-E126 IonicContact NH2-OE2 3.55Å; R98-E126 PolarHBondContact NH2-OE2 3.15Å
99A94.3Very high93.4Very high59 Ų5960.5 Ų60.549%0.48834%0.339SS..Hα-helixtrans-64.5-39-179.700000112.3K95 E96 D102 A103K95-A99 WeakPolarHBondContact O-CB 3.43Å; K95-A99 PolarHBondContact O-N 2.93Å; E96-A99 PolarHBondContact O-N 3.48Å; E96-A99 VanDerWaalsContact O-N 3.11Å; A99-D102 PolarHBondContact O-N 3.23Å; A99-A103 PolarHBondContact O-N 3.18Å
100K94.5Very high93.6Very high90 Ų9066.2 Ų66.239%0.39137%0.371SS..Hα-helixtrans-62.1-43.8173.5-70.2-177.1162.3-121.90112.4E96 L97 R98 A103 G104 E105 C107E96-K100 WeakPolarHBondContact O-CG 3.42Å; E96-K100 PolarHBondContact O-N 2.87Å; L97-K100 PolarHBondContact O-N 3.39Å; R98-K100 VanDerWaalsContact C-N 3.35Å; R98-K100 PolarHBondContact O-N 3.37Å; K100-A103 CarbonylContact O-C 3.53Å; K100-A103 WeakPolarHBondContact O-CB 3.24Å; K100-A103 PolarHBondContact O-N 2.93Å; K100-G104 PolarHBondContact O-N 3.45Å; K100-E105 HydrophobicContact CB-CB 4.08Å; K100-E105 HydrophobicContact CB-CG 4.41Å; K100-E105 VanDerWaalsContact CD-OE2 3.27Å; K100-E105 WeakPolarHBondContact CD-OE2 3.48Å; K100-E105 WeakPolarHBondContact CE-OE2 3.37Å; K100-E105 WeakPolarHBondContact CG-OE2 3.28Å; K100-E105 IonicContact NZ-OE2 2.74Å; K100-E105 PolarHBondContact NZ-OE2 3.12Å; K100-E105 PolarHBondContact O-N 2.86Å; K100-C107 VanDerWaalsContact CB-SG 3.55Å; K100-C107 HydrophobicContact CD-CB 4.41Å
101L94.3Very high93.6Very high14 Ų1464.2 Ų64.27%0.07336%0.358CS..Hα-helixtrans-68.7-38.9176.3-65.7167000112.7F47 F67 L97 R98 A103 G104 L108 L119F47-L101 HydrophobicContact CE2-CB 4.12Å; F47-L101 HydrophobicContact CE2-CD1 4.31Å; F47-L101 HydrophobicContact CZ-CD1 4.48Å; F67-L101 HydrophobicContact CD2-CD1 4.34Å; F67-L101 HydrophobicContact CE2-CD1 3.97Å; L97-L101 HydrophobicContact CG-CD1 4.45Å; L97-L101 VanDerWaalsContact O-CG 3.31Å; L97-L101 WeakPolarHBondContact O-CG 3.46Å; L97-L101 PolarHBondContact O-N 3.42Å; L97-L101 VanDerWaalsContact O-N 3.13Å; R98-L101 PolarHBondContact O-N 2.68Å; L101-A103 PolarHBondContact O-N 3.16Å; L101-G104 WeakPolarHBondContact O-CA 3.41Å; L101-G104 PolarHBondContact O-N 3.3Å; L101-L108 HydrophobicContact CD1-CD2 3.92Å; L101-L108 HydrophobicContact CD1-CG 4.46Å; L101-L108 HydrophobicContact CD2-CD2 4.29Å; L101-L108 HydrophobicContact CD2-CG 3.93Å; L101-L119 HydrophobicContact CD1-CD1 3.4Å
102D93.3Very high93.7Very high29 Ų2967.3 Ų67.316%0.15536%0.359CS..Hα-helixtrans-66.9-17.9172.7-86.5-26.4000112.7R44 K45 V46 F47 R98 A99R44-D102 CarbonylContact C-O 3.49Å; K45-D102 HydrophobicContact CG-CB 4.25Å; K45-D102 WeakPolarHBondContact CG-OD1 3.37Å; V46-D102 PolarHBondContact N-OD1 3.39Å; F47-D102 WeakPolarHBondContact CD2-OD1 3.14Å; F47-D102 PolarHBondContact N-OD1 2.92Å; R98-D102 IonicContact CZ-OD2 3.39Å; R98-D102 IonicContact NE-OD2 2.71Å; R98-D102 PolarHBondContact NE-OD2 2.9Å; R98-D102 IonicContact NH2-OD2 3.74Å; R98-D102 PolarHBondContact NH2-OD2 3.41Å; R98-D102 WeakPolarHBondContact O-CB 3.42Å; R98-D102 PolarHBondContact O-N 2.94Å; A99-D102 PolarHBondContact O-N 3.23Å
103A91.4Very high93.7Very high60 Ų6063.9 Ų63.950%0.49634%0.339SS..Hα-helixtrans-88.1-16.5167.500000113.4A99 K100 L101A99-A103 PolarHBondContact O-N 3.18Å; K100-A103 CarbonylContact O-C 3.53Å; K100-A103 WeakPolarHBondContact O-CB 3.24Å; K100-A103 PolarHBondContact O-N 2.93Å; L101-A103 PolarHBondContact O-N 3.16Å
104G88.9Confident93.7Very high30 Ų3061.4 Ų61.431%0.30933%0.334SS..THydrogen-bonded Turntrans75.837.1-174.900000114.3R44 K100 L101R44-G104 PolarHBondContact NH1-O 3.26Å; R44-G104 VanDerWaalsContact NH1-O 3.13Å; K100-G104 PolarHBondContact O-N 3.45Å; L101-G104 WeakPolarHBondContact O-CA 3.41Å; L101-G104 PolarHBondContact O-N 3.3Å
105E91.1Very high93.7Very high91 Ų9160.2 Ų60.243%0.42533%0.328SS..  trans-75.3137.9156.9-69.4174.5-137.500109.5K100 C107K100-E105 HydrophobicContact CB-CB 4.08Å; K100-E105 HydrophobicContact CB-CG 4.41Å; K100-E105 VanDerWaalsContact CD-OE2 3.27Å; K100-E105 WeakPolarHBondContact CD-OE2 3.48Å; K100-E105 WeakPolarHBondContact CE-OE2 3.37Å; K100-E105 WeakPolarHBondContact CG-OE2 3.28Å; K100-E105 IonicContact NZ-OE2 2.74Å; K100-E105 PolarHBondContact NZ-OE2 3.12Å; K100-E105 PolarHBondContact O-N 2.86Å; E105-C107 PolarHBondContact O-N 2.92Å
106D89.1Confident93.8Very high134 Ų13453.7 Ų53.772%0.71730%0.299SS*.  trans-83.198.5167.8-177.216.3000110.1P109D106-P109 WeakPolarHBondContact OD1-CD 3.41Å
107C92.4Very high93.9Very high16 Ų1648.5 Ų48.511%0.10828%0.275CS..  trans-1268.9179.758.90000113.6L97 K100 E105 A111L97-C107 HydrophobicContact CD1-CB 4.03Å; L97-C107 VanDerWaalsContact CD1-SG 3.53Å; K100-C107 VanDerWaalsContact CB-SG 3.55Å; K100-C107 HydrophobicContact CD-CB 4.41Å; E105-C107 PolarHBondContact O-N 2.92Å; C107-A111 PolarHBondContact O-N 3.08Å
108L93.1Very high93.9Very high7 Ų748.1 Ų48.14%0.03728%0.276CS..SBendtrans-68.8-41.7175-71.6178.6000113.6F67 D70 A71 L101 T110 A111 V116F67-L108 HydrophobicContact CD2-CD1 4.11Å; F67-L108 HydrophobicContact CE2-CD1 4.42Å; F67-L108 HydrophobicContact CE2-CD2 4.28Å; D70-L108 HydrophobicContact CB-CD1 3.66Å; A71-L108 HydrophobicContact CB-CD1 4.39Å; L101-L108 HydrophobicContact CD1-CD2 3.92Å; L101-L108 HydrophobicContact CD1-CG 4.46Å; L101-L108 HydrophobicContact CD2-CD2 4.29Å; L101-L108 HydrophobicContact CD2-CG 3.93Å; L108-T110 VanDerWaalsContact C-N 3.27Å; L108-T110 PolarHBondContact O-N 2.95Å; L108-A111 WeakPolarHBondContact O-CB 3.11Å; L108-A111 PolarHBondContact O-N 3.02Å; L108-A111 VanDerWaalsContact O-N 3.09Å; L108-V116 HydrophobicContact CD2-CG1 4.35Å; L108-V116 HydrophobicContact CD2-CG2 4.23Å
109P92.6Very high94Very high74 Ų7446.2 Ų46.248%0.48127%0.268SS..THydrogen-bonded Turntrans-58.3-36.7-176.9-28.336.3000113.8K74 D106K74-P109 VanDerWaalsContact CE-O 3.28Å; K74-P109 WeakPolarHBondContact CE-O 3.48Å; K74-P109 PolarHBondContact NZ-O 2.71Å; D106-P109 WeakPolarHBondContact OD1-CD 3.41Å
110T92.9Very high94.2Very high133 Ų13343.4 Ų43.482%0.81625%0.245SC*.THydrogen-bonded Turntrans-88.6-8.5-179.4-33.40000113.4L108L108-T110 VanDerWaalsContact C-N 3.27Å; L108-T110 PolarHBondContact O-N 2.95Å
111A95.2Very high94.3Very high10 Ų1040.5 Ų40.58%0.08323%0.233CC..SBendtrans-73.4151-178.300000112.6K74 L97 C107 L108 V116K74-A111 WeakPolarHBondContact CE-O 3.29Å; L97-A111 HydrophobicContact CD1-CB 3.94Å; L97-A111 HydrophobicContact CD2-CB 3.63Å; L97-A111 HydrophobicContact CG-CB 4.46Å; C107-A111 PolarHBondContact O-N 3.08Å; L108-A111 WeakPolarHBondContact O-CB 3.11Å; L108-A111 PolarHBondContact O-N 3.02Å; L108-A111 VanDerWaalsContact O-N 3.09Å; A111-V116 HydrophobicContact CB-CG2 3.49Å; A111-V116 VanDerWaalsContact CB-CG2 3.49Å
112R95.4Very high94.3Very high160 Ų16041 Ų4160%0.60424%0.235SC*.  trans-75.8142.3175.5-54.6-176.6177.5-167.9-1.9110.1C114 D115 V116R112-C114 VanDerWaalsContact C-N 3.3Å; R112-C114 PolarHBondContact O-N 3.31Å; R112-D115 WeakPolarHBondContact CB-OD2 3.32Å; R112-D115 WeakPolarHBondContact O-CB 3.19Å; R112-D115 PolarHBondContact O-N 3.25Å; R112-V116 PolarHBondContact O-N 3.38Å; R112-V116 VanDerWaalsContact O-N 3.11Å
113P96.1Very high94.5Very high21 Ų2139.7 Ų39.714%0.13623%0.228CC..Hα-helixtrans-54.1-40.8-177.3-27.934.8000114.2L75 H78 T81 L84 D115 V116 A117L75-P113 HydrophobicContact CD2-CB 3.97Å; L75-P113 WeakPolarHBondContact CD2-O 3.41Å; H78-P113 HydrophobicContact CB-CB 4.24Å; H78-P113 HydrophobicContact CB-CG 3.55Å; T81-P113 HydrophobicContact CG2-CB 4.28Å; L84-P113 HydrophobicContact CD2-CB 4.02Å; P113-D115 VanDerWaalsContact C-N 3.28Å; P113-D115 PolarHBondContact O-N 2.86Å; P113-V116 PolarHBondContact O-N 2.89Å; P113-A117 WeakPolarHBondContact O-CB 3.19Å; P113-A117 PolarHBondContact O-N 3.5Å
114C95.4Very high94.7Very high29 Ų2936.9 Ų36.920%0.19620%0.204CC..Hα-helixtrans-65.2-27.8177.8-50.80000113.8R112 G118R112-C114 VanDerWaalsContact C-N 3.3Å; R112-C114 PolarHBondContact O-N 3.31Å; C114-G118 PolarHBondContact O-N 3.18Å
115D96.4Very high95Very high2 Ų241.8 Ų41.81%0.01121%0.213CC..Hα-helixtrans-77.4-44.3174.6-55.8-42.8000109.9G89 S90 R93 L94 L97 R112 P113 A117 G118 L119G89-D115 WeakPolarHBondContact CA-OD1 3.41Å; S90-D115 PolarHBondContact N-OD1 3.23Å; R93-D115 IonicContact CZ-OD1 2.72Å; R93-D115 IonicContact CZ-OD2 3.59Å; R93-D115 VanDerWaalsContact CZ-OD2 3.26Å; R93-D115 IonicContact NE-OD1 2.97Å; R93-D115 IonicContact NE-OD2 3.75Å; R93-D115 PolarHBondContact NE-OD2 3.38Å; R93-D115 VanDerWaalsContact NH2-CG 3.29Å; R93-D115 IonicContact NH2-OD1 2.68Å; R93-D115 PolarHBondContact NH2-OD1 3.29Å; R93-D115 IonicContact NH2-OD2 3.8Å; R93-D115 PolarHBondContact NH2-OD2 2.96Å; L94-D115 HydrophobicContact CD1-CB 4.37Å; L94-D115 WeakPolarHBondContact CD1-O 3.2Å; L97-D115 HydrophobicContact CD2-CB 4.07Å; R112-D115 WeakPolarHBondContact CB-OD2 3.32Å; R112-D115 WeakPolarHBondContact O-CB 3.19Å; R112-D115 PolarHBondContact O-N 3.25Å; P113-D115 VanDerWaalsContact C-N 3.28Å; P113-D115 PolarHBondContact O-N 2.86Å; D115-A117 PolarHBondContact O-N 3.07Å; D115-G118 CarbonylContact O-C 3.59Å; D115-G118 WeakPolarHBondContact O-CA 3.49Å; D115-G118 PolarHBondContact O-N 3.29Å; D115-L119 PolarHBondContact O-N 3.23Å
116V97.3Very high95.1Very high0 Ų040 Ų400%021%0.205CC..Hα-helixtrans-61.5-45176.4179.70000111.3A71 K74 L75 L108 A111 R112 P113 G118 L119 V120A71-V116 HydrophobicContact CB-CG1 3.74Å; K74-V116 HydrophobicContact CG-CG2 4.3Å; L75-V116 HydrophobicContact CD1-CG1 4.22Å; L75-V116 HydrophobicContact CD2-CB 3.94Å; L75-V116 HydrophobicContact CD2-CG1 3.99Å; L75-V116 HydrophobicContact CG-CB 4.41Å; L75-V116 HydrophobicContact CG-CG1 3.9Å; L108-V116 HydrophobicContact CD2-CG1 4.35Å; L108-V116 HydrophobicContact CD2-CG2 4.23Å; A111-V116 HydrophobicContact CB-CG2 3.49Å; A111-V116 VanDerWaalsContact CB-CG2 3.49Å; R112-V116 PolarHBondContact O-N 3.38Å; R112-V116 VanDerWaalsContact O-N 3.11Å; P113-V116 PolarHBondContact O-N 2.89Å; V116-G118 PolarHBondContact O-N 3Å; V116-L119 WeakPolarHBondContact O-CB 3.26Å; V116-L119 PolarHBondContact O-N 2.64Å; V116-V120 WeakPolarHBondContact O-CG2 3.33Å; V116-V120 PolarHBondContact O-N 3.17Å
117A97.4Very high95.3Very high1 Ų134 Ų341%0.00817%0.173CC..Hα-helixtrans-62.7-31.417300000112.5L75 L84 F85 P113 D115 K121L75-A117 HydrophobicContact CD1-CB 4.14Å; L75-A117 HydrophobicContact CD2-CB 4.33Å; L84-A117 HydrophobicContact CD2-CB 4.17Å; F85-A117 HydrophobicContact CD1-CB 3.72Å; F85-A117 HydrophobicContact CE1-CB 3.78Å; F85-A117 HydrophobicContact CG-CB 4.11Å; F85-A117 HydrophobicContact CZ-CB 4.19Å; P113-A117 WeakPolarHBondContact O-CB 3.19Å; P113-A117 PolarHBondContact O-N 3.5Å; D115-A117 PolarHBondContact O-N 3.07Å; A117-K121 WeakPolarHBondContact O-CG 3.38Å; A117-K121 PolarHBondContact O-N 2.86Å
118G96.7Very high95.3Very high10 Ų1037.5 Ų37.510%0.10320%0.195CC..Hα-helixtrans-63.1-44.816900000112.6C114 D115 V116 K121 Q122C114-G118 PolarHBondContact O-N 3.18Å; D115-G118 CarbonylContact O-C 3.59Å; D115-G118 WeakPolarHBondContact O-CA 3.49Å; D115-G118 PolarHBondContact O-N 3.29Å; V116-G118 PolarHBondContact O-N 3Å; G118-K121 PolarHBondContact O-N 2.99Å; G118-Q122 WeakPolarHBondContact O-CB 3.33Å; G118-Q122 PolarHBondContact O-N 3.48Å
119L96.9Very high95.2Very high0 Ų040.3 Ų40.30%021%0.208CC..Hα-helixtrans-66.3-40.8177.2-67.9-177.9000112.6F47 F67 L94 L97 R98 L101 D115 V116 K121 Q122 F123F47-L119 HydrophobicContact CE1-CB 4.31Å; F47-L119 HydrophobicContact CE1-CD2 4.33Å; F47-L119 HydrophobicContact CZ-CB 4.09Å; F47-L119 HydrophobicContact CZ-CD1 4.39Å; F47-L119 HydrophobicContact CZ-CD2 3.95Å; F47-L119 HydrophobicContact CZ-CG 4.38Å; F67-L119 HydrophobicContact CE2-CB 4.46Å; F67-L119 HydrophobicContact CZ-CB 4.04Å; L94-L119 HydrophobicContact CD1-CD2 3.59Å; L94-L119 HydrophobicContact CD1-CG 3.69Å; L94-L119 HydrophobicContact CG-CD2 4.06Å; L97-L119 HydrophobicContact CB-CD1 4.45Å; L97-L119 HydrophobicContact CD2-CD1 3.52Å; L97-L119 HydrophobicContact CD2-CG 4.33Å; L97-L119 HydrophobicContact CG-CD1 3.81Å; R98-L119 HydrophobicContact CB-CD2 3.75Å; R98-L119 HydrophobicContact CG-CD2 4.37Å; L101-L119 HydrophobicContact CD1-CD1 3.4Å; D115-L119 PolarHBondContact O-N 3.23Å; V116-L119 WeakPolarHBondContact O-CB 3.26Å; V116-L119 PolarHBondContact O-N 2.64Å; L119-K121 VanDerWaalsContact C-N 3.34Å; L119-K121 PolarHBondContact O-N 2.86Å; L119-Q122 CarbonylContact O-C 3.55Å; L119-Q122 PolarHBondContact O-N 3.01Å; L119-Q122 VanDerWaalsContact O-N 3.1Å; L119-F123 WeakPolarHBondContact O-CB 3.43Å; L119-F123 PolarHBondContact O-N 3.22Å
120V97.5Very high95.2Very high0 Ų037.1 Ų37.10%019%0.187CC..Hα-helixtrans-62.1-41.8177.61720000111.1F67 L68 A71 L75 F85 V116 Q122 F123 F124 F174F67-V120 HydrophobicContact CZ-CG2 4.49Å; L68-V120 HydrophobicContact CD1-CG1 4.09Å; A71-V120 HydrophobicContact CB-CG2 3.67Å; L75-V120 HydrophobicContact CD1-CG2 4.46Å; F85-V120 HydrophobicContact CE1-CB 4.11Å; F85-V120 HydrophobicContact CE1-CG1 4.05Å; V116-V120 WeakPolarHBondContact O-CG2 3.33Å; V116-V120 PolarHBondContact O-N 3.17Å; V120-Q122 PolarHBondContact O-N 3.03Å; V120-F123 PolarHBondContact O-N 3.32Å; V120-F124 HydrophobicContact CG1-CD2 4.15Å; V120-F124 HydrophobicContact CG1-CE2 3.83Å; V120-F124 VanDerWaalsContact O-CD2 3.26Å; V120-F124 WeakPolarHBondContact O-CD2 3.31Å; V120-F124 PolarHBondContact O-N 3.47Å; V120-F174 HydrophobicContact CG1-CD2 4.5Å; V120-F174 HydrophobicContact CG1-CE2 3.59Å; V120-F174 HydrophobicContact CG1-CZ 3.85Å
121K96.2Very high95.3Very high30 Ų3030.8 Ų30.813%0.1315%0.149CC..Hα-helixtrans-59.5-45.8170.4-69.8-176.7-60.4-179.20111.8F85 A117 G118 L119 F123 R125 I198 L199F85-K121 HydrophobicContact CB-CD 4.5Å; F85-K121 HydrophobicContact CD1-CD 4.34Å; F85-K121 HydrophobicContact CD1-CG 4.03Å; F85-K121 PolarHBondContact O-NZ 3.42Å; A117-K121 WeakPolarHBondContact O-CG 3.38Å; A117-K121 PolarHBondContact O-N 2.86Å; G118-K121 PolarHBondContact O-N 2.99Å; L119-K121 VanDerWaalsContact C-N 3.34Å; L119-K121 PolarHBondContact O-N 2.86Å; K121-F123 VanDerWaalsContact C-N 3.35Å; K121-F123 PolarHBondContact O-N 2.93Å; K121-R125 WeakPolarHBondContact O-CB 3.43Å; K121-R125 PolarHBondContact O-N 2.85Å; K121-R125 VanDerWaalsContact O-N 3.11Å; K121-I198 HydrophobicContact CD-CG2 3.73Å; K121-L199 HydrophobicContact CD-CD2 4.45Å; K121-L199 HydrophobicContact CG-CD2 3.87Å
122Q95.2Very high95.3Very high25 Ų2530.3 Ų30.312%0.11715%0.145CC..Hα-helixtrans-66-34.6-179.4-175.6161.59.100112.9F47 G118 L119 V120 E126F47-Q122 HydrophobicContact CD1-CG 4.4Å; G118-Q122 WeakPolarHBondContact O-CB 3.33Å; G118-Q122 PolarHBondContact O-N 3.48Å; L119-Q122 CarbonylContact O-C 3.55Å; L119-Q122 PolarHBondContact O-N 3.01Å; L119-Q122 VanDerWaalsContact O-N 3.1Å; V120-Q122 PolarHBondContact O-N 3.03Å; Q122-E126 HydrophobicContact CG-CG 4.32Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.44Å; Q122-E126 PolarHBondContact NE2-OE1 3.15Å; Q122-E126 WeakPolarHBondContact O-CB 3.35Å; Q122-E126 WeakPolarHBondContact O-CG 3.31Å; Q122-E126 PolarHBondContact O-N 3.06Å
123F96.6Very high95.1Very high1 Ų122.9 Ų22.90%0.00412%0.117CC..Hα-helixtrans-59.8-57.9175.4172.3-102.8000111V46 F47 L51 L54 P65 F67 L119 V120 K121 R125 E126 L127V46-F123 HydrophobicContact CG1-CD2 4.26Å; V46-F123 HydrophobicContact CG1-CE2 4.33Å; F47-F123 HydrophobicContact CD1-CB 4.19Å; F47-F123 HydrophobicContact CE1-CB 3.91Å; L51-F123 HydrophobicContact CD2-CZ 4.13Å; L54-F123 HydrophobicContact CD1-CE2 3.62Å; L54-F123 HydrophobicContact CD1-CZ 3.7Å; P65-F123 HydrophobicContact CB-CZ 4.33Å; P65-F123 HydrophobicContact CG-CZ 4.29Å; F67-F123 HydrophobicContact CD1-CB 4.47Å; F67-F123 AromaticContact CD1-CD2 3.82Å; F67-F123 HydrophobicContact CD1-CD2 3.82Å; F67-F123 HydrophobicContact CD1-CE2 4.16Å; F67-F123 HydrophobicContact CD1-CG 4.04Å; F67-F123 HydrophobicContact CE1-CB 3.65Å; F67-F123 HydrophobicContact CE1-CD1 4.3Å; F67-F123 AromaticContact CE1-CD2 3.85Å; F67-F123 HydrophobicContact CE1-CD2 3.85Å; F67-F123 AromaticContact CE1-CG 3.68Å; F67-F123 HydrophobicContact CE1-CG 3.68Å; F67-F123 HydrophobicContact CZ-CB 4.4Å; L119-F123 WeakPolarHBondContact O-CB 3.43Å; L119-F123 PolarHBondContact O-N 3.22Å; V120-F123 PolarHBondContact O-N 3.32Å; K121-F123 VanDerWaalsContact C-N 3.35Å; K121-F123 PolarHBondContact O-N 2.93Å; F123-R125 VanDerWaalsContact C-N 3.32Å; F123-R125 PolarHBondContact O-N 2.96Å; F123-E126 PolarHBondContact O-N 2.91Å; F123-L127 HydrophobicContact CE1-CD2 4.38Å; F123-L127 HydrophobicContact CE2-CD2 4.26Å; F123-L127 HydrophobicContact CZ-CD2 4.06Å; F123-L127 WeakPolarHBondContact O-CG 3.31Å; F123-L127 PolarHBondContact O-N 3.46Å
124F96.7Very high94.8Very high1 Ų126 Ų260%0.00414%0.136CC..Hα-helixtrans-61.1-39.4179.1-70.6-64.3000112.8L68 V120 E126 L127 I131 V170 F174 N202 L203 H205L68-F124 HydrophobicContact CD1-CE2 3.95Å; L68-F124 HydrophobicContact CD1-CZ 3.86Å; L68-F124 HydrophobicContact CD2-CE1 4.42Å; L68-F124 HydrophobicContact CD2-CZ 3.8Å; V120-F124 HydrophobicContact CG1-CD2 4.15Å; V120-F124 HydrophobicContact CG1-CE2 3.83Å; V120-F124 VanDerWaalsContact O-CD2 3.26Å; V120-F124 WeakPolarHBondContact O-CD2 3.31Å; V120-F124 PolarHBondContact O-N 3.47Å; F124-E126 VanDerWaalsContact C-N 3.34Å; F124-E126 PolarHBondContact O-N 3.44Å; F124-L127 HydrophobicContact CD1-CD1 4.03Å; F124-L127 PolarHBondContact O-N 2.74Å; F124-I131 HydrophobicContact CD1-CB 4Å; F124-I131 HydrophobicContact CD1-CG1 4.27Å; F124-I131 HydrophobicContact CD1-CG2 3.71Å; F124-I131 HydrophobicContact CE1-CB 4.35Å; F124-I131 HydrophobicContact CE1-CG1 4.1Å; F124-I131 HydrophobicContact CE1-CG2 4.22Å; F124-I131 HydrophobicContact CG-CG2 4.46Å; F124-V170 HydrophobicContact CE1-CG1 3.98Å; F124-V170 HydrophobicContact CZ-CG1 4.44Å; F124-F174 HydrophobicContact CD2-CE1 4.13Å; F124-F174 HydrophobicContact CD2-CZ 4.33Å; F124-F174 AromaticContact CE2-CD1 3.61Å; F124-F174 HydrophobicContact CE2-CD1 3.61Å; F124-F174 HydrophobicContact CE2-CD2 4.01Å; F124-F174 AromaticContact CE2-CE1 3.48Å; F124-F174 HydrophobicContact CE2-CE1 3.48Å; F124-F174 VanDerWaalsContact CE2-CE1 3.48Å; F124-F174 AromaticContact CE2-CE2 3.92Å; F124-F174 HydrophobicContact CE2-CE2 3.92Å; F124-F174 AromaticContact CE2-CG 3.89Å; F124-F174 HydrophobicContact CE2-CG 3.89Å; F124-F174 AromaticContact CE2-CZ 3.66Å; F124-F174 HydrophobicContact CE2-CZ 3.66Å; F124-F174 HydrophobicContact CZ-CB 4.27Å; F124-F174 AromaticContact CZ-CD1 3.7Å; F124-F174 HydrophobicContact CZ-CD1 3.7Å; F124-F174 HydrophobicContact CZ-CD2 4.24Å; F124-F174 HydrophobicContact CZ-CE1 4.07Å; F124-F174 AromaticContact CZ-CG 3.8Å; F124-F174 HydrophobicContact CZ-CG 3.8Å; F124-N202 CarbonylContact C-O 3.44Å; F124-L203 HydrophobicContact CB-CD2 4.12Å; F124-L203 HydrophobicContact CD1-CD2 3.89Å; F124-L203 HydrophobicContact CD2-CD2 3.84Å; F124-L203 HydrophobicContact CE1-CD2 4.22Å; F124-L203 HydrophobicContact CE2-CD2 4.18Å; F124-L203 HydrophobicContact CG-CD2 3.69Å; F124-L203 HydrophobicContact CZ-CD2 4.35Å; F124-H205 PolarHBondContact O-NE2 2.84Å
125R94.8Very high94.5Very high133 Ų13326.8 Ų26.850%0.50214%0.137SC..Hα-helixtrans-68.1-29.2178-167.4-177.365.9-150.6-2.6113.5K121 F123 N202 H205K121-R125 WeakPolarHBondContact O-CB 3.43Å; K121-R125 PolarHBondContact O-N 2.85Å; K121-R125 VanDerWaalsContact O-N 3.11Å; F123-R125 VanDerWaalsContact C-N 3.32Å; F123-R125 PolarHBondContact O-N 2.96Å; R125-N202 HydrophobicContact CB-CB 4.32Å; R125-N202 PolarHBondContact N-O 2.7Å; R125-H205 PolarHBondContact O-NE2 2.99Å
126E93.8Very high94.2Very high54 Ų5426.8 Ų26.825%0.25214%0.137SC..Hα-helixtrans-94.53.1178.9-70.6-175.1-152.700113.9G48 R98 Q122 F123 F124G48-E126 VanDerWaalsContact CA-O 3.26Å; G48-E126 WeakPolarHBondContact CA-O 3.12Å; R98-E126 IonicContact CZ-OE1 2.89Å; R98-E126 IonicContact CZ-OE2 3.56Å; R98-E126 IonicContact NH1-OE1 3.26Å; R98-E126 PolarHBondContact NH1-OE1 3.08Å; R98-E126 IonicContact NH1-OE2 2.77Å; R98-E126 PolarHBondContact NH1-OE2 2.96Å; R98-E126 IonicContact NH2-OE2 3.55Å; R98-E126 PolarHBondContact NH2-OE2 3.15Å; Q122-E126 HydrophobicContact CG-CG 4.32Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.44Å; Q122-E126 PolarHBondContact NE2-OE1 3.15Å; Q122-E126 WeakPolarHBondContact O-CB 3.35Å; Q122-E126 WeakPolarHBondContact O-CG 3.31Å; Q122-E126 PolarHBondContact O-N 3.06Å; F123-E126 PolarHBondContact O-N 2.91Å; F124-E126 VanDerWaalsContact C-N 3.34Å; F124-E126 PolarHBondContact O-N 3.44Å
127L93.6Very high93.9Very high7 Ų727.4 Ų27.44%0.03714%0.14CC..SBendtrans-60.8136.2172.6-67177.4000110.9L51 F123 F124 E129 I131 H205L51-L127 HydrophobicContact CD1-CD1 4.35Å; L51-L127 HydrophobicContact CD2-CD1 4.06Å; L51-L127 HydrophobicContact CD2-CD2 3.69Å; L51-L127 HydrophobicContact CG-CD1 4.33Å; L51-L127 HydrophobicContact CG-CD2 4.12Å; F123-L127 HydrophobicContact CE1-CD2 4.38Å; F123-L127 HydrophobicContact CE2-CD2 4.26Å; F123-L127 HydrophobicContact CZ-CD2 4.06Å; F123-L127 WeakPolarHBondContact O-CG 3.31Å; F123-L127 PolarHBondContact O-N 3.46Å; F124-L127 HydrophobicContact CD1-CD1 4.03Å; F124-L127 PolarHBondContact O-N 2.74Å; L127-E129 VanDerWaalsContact CB-O 3.27Å; L127-E129 WeakPolarHBondContact CB-O 3.41Å; L127-E129 PolarHBondContact O-N 2.74Å; L127-E129 VanDerWaalsContact O-N 3.09Å; L127-I131 HydrophobicContact CD1-CB 3.96Å; L127-I131 HydrophobicContact CD1-CD1 4.47Å; L127-H205 PolarHBondContact O-CE1 3.4Å
128P91.9Very high93.7Very high89 Ų8932.4 Ų32.458%0.57817%0.166SC*.SBendtrans-63.7-14.2178.8-26.836.9000115.7P50P50-P128 HydrophobicContact CG-CG 4.12Å
129E90.6Very high93.5Very high66 Ų6632.3 Ų32.331%0.30816%0.164SC..SBendtrans-136.5133.8169.2-179.5-174.8176.400106.4K32 L127 I131K32-E129 WeakPolarHBondContact CE-OE1 3.41Å; K32-E129 VanDerWaalsContact CE-OE2 3.24Å; K32-E129 WeakPolarHBondContact CE-OE2 3.31Å; K32-E129 VanDerWaalsContact NZ-CD 3.33Å; K32-E129 IonicContact NZ-OE1 2.9Å; K32-E129 PolarHBondContact NZ-OE1 3.41Å; K32-E129 IonicContact NZ-OE2 2.81Å; K32-E129 PolarHBondContact NZ-OE2 3.43Å; L127-E129 VanDerWaalsContact CB-O 3.27Å; L127-E129 WeakPolarHBondContact CB-O 3.41Å; L127-E129 PolarHBondContact O-N 2.74Å; L127-E129 VanDerWaalsContact O-N 3.09Å; E129-I131 PolarHBondContact O-N 2.84Å
130P93.1Very high93.4Very high7 Ų732.4 Ų32.45%0.04517%0.165CC..  trans-58.6140.8177.919.3-29.1000111.1L132 T134 H205P130-L132 CarbonylContact O-C 3.56Å; P130-L132 PolarHBondContact O-N 2.83Å; P130-L132 VanDerWaalsContact O-N 3.17Å; P130-T134 HydrophobicContact CG-CG2 3.72Å; P130-H205 HydrophobicContact CB-CB 4.19Å
131I94.9Very high93.3Very high0 Ų033.5 Ų33.50%017%0.171CC..SBendtrans-59.9-28.9-179.6-172.570.6000111.8L51 F124 L127 E129 P133 N167 V170 L171 L203L51-I131 HydrophobicContact CD1-CD1 3.51Å; F124-I131 HydrophobicContact CD1-CB 4Å; F124-I131 HydrophobicContact CD1-CG1 4.27Å; F124-I131 HydrophobicContact CD1-CG2 3.71Å; F124-I131 HydrophobicContact CE1-CB 4.35Å; F124-I131 HydrophobicContact CE1-CG1 4.1Å; F124-I131 HydrophobicContact CE1-CG2 4.22Å; F124-I131 HydrophobicContact CG-CG2 4.46Å; L127-I131 HydrophobicContact CD1-CB 3.96Å; L127-I131 HydrophobicContact CD1-CD1 4.47Å; E129-I131 PolarHBondContact O-N 2.84Å; I131-P133 WeakPolarHBondContact O-CD 3.39Å; I131-N167 HydrophobicContact CD1-CB 4Å; I131-N167 PolarHBondContact O-ND2 3.31Å; I131-V170 HydrophobicContact CD1-CB 4.03Å; I131-V170 HydrophobicContact CD1-CG1 3.65Å; I131-V170 HydrophobicContact CG1-CG1 4.29Å; I131-L171 HydrophobicContact CD1-CG 4.35Å; I131-L171 HydrophobicContact CG1-CD1 3.85Å; I131-L171 HydrophobicContact CG1-CD2 3.66Å; I131-L171 HydrophobicContact CG1-CG 3.55Å; I131-L171 HydrophobicContact CG2-CD2 4.07Å; I131-L203 HydrophobicContact CG2-CB 3.96Å; I131-L203 HydrophobicContact CG2-CD2 3.55Å; I131-L203 HydrophobicContact CG2-CG 4.38Å; I131-L203 VanDerWaalsContact CG2-O 3.31Å; I131-L203 WeakPolarHBondContact CG2-O 3.32Å
132L93.8Very high93.2Very high0 Ų036.6 Ų36.60%018%0.184CC..SBendtrans-98.599161.4-68.8171.8000109.4P130 F140 L163 L171 L203 I204P130-L132 CarbonylContact O-C 3.56Å; P130-L132 PolarHBondContact O-N 2.83Å; P130-L132 VanDerWaalsContact O-N 3.17Å; L132-F140 HydrophobicContact CB-CE2 4.33Å; L132-F140 HydrophobicContact CD2-CE2 4.16Å; L132-F140 HydrophobicContact CD2-CZ 3.89Å; L132-L163 HydrophobicContact CD2-CD1 3.92Å; L132-L163 HydrophobicContact CD2-CD2 3.85Å; L132-L171 HydrophobicContact CD2-CD1 3.56Å; L132-L171 HydrophobicContact CG-CD1 4.07Å; L132-L203 HydrophobicContact CD1-CB 4.25Å; L132-L203 PolarHBondContact N-O 2.74Å; L132-I204 HydrophobicContact CB-CG1 4.07Å; L132-I204 HydrophobicContact CD1-CD1 4.03Å; L132-I204 HydrophobicContact CD1-CG1 3.54Å; L132-I204 HydrophobicContact CG-CG1 4.41Å
133P91.6Very high93.2Very high4 Ų435.4 Ų35.43%0.02618%0.179CC..  trans-60.9145.3-164.6-2736.1000114.8I131 E135 L136 Q137 L163 P164I131-P133 WeakPolarHBondContact O-CD 3.39Å; P133-E135 PolarHBondContact O-N 2.93Å; P133-L136 PolarHBondContact O-N 3Å; P133-Q137 PolarHBondContact O-N 3.19Å; P133-L163 VanDerWaalsContact CD-CD2 3.5Å; P133-L163 HydrophobicContact CG-CD2 4.46Å; P133-P164 HydrophobicContact CG-CG 3.96Å
134T89.7Confident93.2Very high87 Ų8736.2 Ų36.253%0.53418%0.182SC..Hα-helixtrans-53.7-38.4179.2540000113P130 L136 Q137P130-T134 HydrophobicContact CG-CG2 3.72Å; T134-L136 PolarHBondContact O-N 3.37Å; T134-L136 VanDerWaalsContact O-N 3.11Å; T134-Q137 PolarHBondContact O-N 3.37Å
135E89.2Confident93Very high45 Ų4542.4 Ų42.421%0.2121%0.211CC..Hα-helixtrans-66.1-10.4178.6-61.2-153.5-106.300114.7K26 W28 N31 P133K26-E135 WeakPolarHBondContact CE-OE2 3.48Å; K26-E135 IonicContact NZ-OE2 3.91Å; K26-E135 PolarHBondContact NZ-OE2 2.84Å; W28-E135 WeakPolarHBondContact CA-OE1 3.49Å; W28-E135 HydrophobicContact CB-CB 3.96Å; W28-E135 HydrophobicContact CB-CG 4.34Å; W28-E135 WeakPolarHBondContact CB-OE1 3.47Å; N31-E135 PolarHBondContact ND2-OE1 2.91Å; N31-E135 PolarHBondContact ND2-OE2 3.32Å; P133-E135 PolarHBondContact O-N 2.93Å
136L91.2Very high93.1Very high2 Ų237.3 Ų37.31%0.0119%0.194CC..Hα-helixtrans-110.4-12.6177.5-61.1179.4000113.8I25 P133 T134 D138 A139 F140 L163I25-L136 HydrophobicContact CG2-CD2 3.56Å; P133-L136 PolarHBondContact O-N 3Å; T134-L136 PolarHBondContact O-N 3.37Å; T134-L136 VanDerWaalsContact O-N 3.11Å; L136-D138 VanDerWaalsContact C-N 3.27Å; L136-D138 PolarHBondContact O-N 3.46Å; L136-A139 WeakPolarHBondContact O-CA 3.49Å; L136-A139 WeakPolarHBondContact O-CB 3.41Å; L136-A139 PolarHBondContact O-N 3.16Å; L136-F140 HydrophobicContact CB-CD2 4.01Å; L136-F140 HydrophobicContact CB-CE2 3.49Å; L136-F140 VanDerWaalsContact CB-CE2 3.49Å; L136-F140 HydrophobicContact CB-CZ 4.12Å; L136-F140 HydrophobicContact CD1-CE2 4.47Å; L136-F140 HydrophobicContact CD1-CZ 4.4Å; L136-F140 WeakPolarHBondContact O-CD2 3.31Å; L136-F140 PolarHBondContact O-N 2.92Å; L136-L163 HydrophobicContact CD1-CD2 3.97Å
137Q91.1Very high93Very high14 Ų1440.3 Ų40.37%0.06522%0.218CC..Hα-helixtrans-56.3-42-178.5-66.3-172.521.100112.7P133 T134 A139 F140 L141 I204P133-Q137 PolarHBondContact O-N 3.19Å; T134-Q137 PolarHBondContact O-N 3.37Å; Q137-A139 PolarHBondContact O-N 3.04Å; Q137-F140 PolarHBondContact O-N 3.48Å; Q137-L141 WeakPolarHBondContact O-CB 3.32Å; Q137-L141 WeakPolarHBondContact O-CG 3.49Å; Q137-L141 PolarHBondContact O-N 3.03Å; Q137-I204 VanDerWaalsContact CD-CG2 3.43Å; Q137-I204 HydrophobicContact CG-CG2 3.8Å; Q137-I204 PolarHBondContact NE2-O 2.95Å
138D91.9Very high93.1Very high106 Ų10642 Ų4257%0.56723%0.23SC*.Hα-helixtrans-60.3-25.5174.5-112.250.3000114.1L136 K142L136-D138 VanDerWaalsContact C-N 3.27Å; L136-D138 PolarHBondContact O-N 3.46Å; D138-K142 VanDerWaalsContact O-CD 3.26Å; D138-K142 WeakPolarHBondContact O-CD 3.32Å; D138-K142 WeakPolarHBondContact O-CG 3.28Å; D138-K142 PolarHBondContact O-NZ 3.49Å; D138-K142 IonicContact OD2-NZ 2.83Å; D138-K142 PolarHBondContact OD2-NZ 3.11Å
139A94.1Very high93.2Very high7 Ų740.3 Ų40.36%0.05822%0.224CC..Hα-helixtrans-87.1-44.6175.900000110.7I23 I25 L136 Q137 L141 K142 V143 L159I23-A139 HydrophobicContact CG2-CB 3.91Å; I25-A139 HydrophobicContact CG1-CB 4.1Å; L136-A139 WeakPolarHBondContact O-CA 3.49Å; L136-A139 WeakPolarHBondContact O-CB 3.41Å; L136-A139 PolarHBondContact O-N 3.16Å; Q137-A139 PolarHBondContact O-N 3.04Å; A139-L141 VanDerWaalsContact C-N 3.34Å; A139-L141 PolarHBondContact O-N 3.48Å; A139-K142 PolarHBondContact O-N 2.84Å; A139-K142 VanDerWaalsContact O-N 3.13Å; A139-V143 PolarHBondContact O-N 3.48Å; A139-L159 HydrophobicContact CB-CD1 4.09Å; A139-L159 HydrophobicContact CB-CD2 4.01Å
140F94.3Very high93.4Very high2 Ų244.7 Ų44.71%0.00924%0.244CC..Hα-helixtrans-58.1-44.7175.5-63.6-63.5000111.9L132 L136 Q137 K142 V143 Q144 L159 L163 I227 Y231L132-F140 HydrophobicContact CB-CE2 4.33Å; L132-F140 HydrophobicContact CD2-CE2 4.16Å; L132-F140 HydrophobicContact CD2-CZ 3.89Å; L136-F140 HydrophobicContact CB-CD2 4.01Å; L136-F140 HydrophobicContact CB-CE2 3.49Å; L136-F140 VanDerWaalsContact CB-CE2 3.49Å; L136-F140 HydrophobicContact CB-CZ 4.12Å; L136-F140 HydrophobicContact CD1-CE2 4.47Å; L136-F140 HydrophobicContact CD1-CZ 4.4Å; L136-F140 WeakPolarHBondContact O-CD2 3.31Å; L136-F140 PolarHBondContact O-N 2.92Å; Q137-F140 PolarHBondContact O-N 3.48Å; F140-K142 VanDerWaalsContact C-N 3.29Å; F140-K142 PolarHBondContact O-N 2.6Å; F140-V143 PolarHBondContact O-N 3Å; F140-Q144 PolarHBondContact O-N 3.38Å; F140-L159 HydrophobicContact CB-CD1 4.4Å; F140-L159 HydrophobicContact CD1-CB 3.96Å; F140-L159 HydrophobicContact CD1-CD1 3.41Å; F140-L159 VanDerWaalsContact CD1-CD1 3.41Å; F140-L159 HydrophobicContact CD1-CG 4.29Å; F140-L159 HydrophobicContact CE1-CB 3.59Å; F140-L159 HydrophobicContact CE1-CD1 3.89Å; F140-L159 HydrophobicContact CE1-CG 4.3Å; F140-L159 HydrophobicContact CG-CD1 4.05Å; F140-L163 HydrophobicContact CZ-CD2 4.07Å; F140-L163 HydrophobicContact CZ-CG 4.45Å; F140-I227 HydrophobicContact CB-CD1 3.44Å; F140-I227 VanDerWaalsContact CB-CD1 3.44Å; F140-I227 HydrophobicContact CB-CG1 4.02Å; F140-I227 HydrophobicContact CB-CG2 4.44Å; F140-I227 HydrophobicContact CD1-CG2 4.18Å; F140-I227 HydrophobicContact CG-CD1 4.47Å; F140-I227 HydrophobicContact CG-CG2 4.43Å; F140-Y231 HydrophobicContact CE1-CE2 4.35Å; F140-Y231 VanDerWaalsContact CE1-OH 3.29Å; F140-Y231 WeakPolarHBondContact CE1-OH 3.44Å
141L94.1Very high93.5Very high24 Ų2447.6 Ų47.613%0.12626%0.258CS..Hα-helixtrans-63.8-33177-71.3173.8000112.7Q137 A139 Q145 R220 L223 Q224Q137-L141 WeakPolarHBondContact O-CB 3.32Å; Q137-L141 WeakPolarHBondContact O-CG 3.49Å; Q137-L141 PolarHBondContact O-N 3.03Å; A139-L141 VanDerWaalsContact C-N 3.34Å; A139-L141 PolarHBondContact O-N 3.48Å; L141-Q145 PolarHBondContact O-NE2 3.32Å; L141-R220 HydrophobicContact CD1-CG 4.07Å; L141-R220 HydrophobicContact CD2-CG 4.1Å; L141-L223 HydrophobicContact CD2-CB 3.65Å; L141-L223 HydrophobicContact CD2-CD1 4.17Å; L141-Q224 HydrophobicContact CD2-CG 4.21Å
142K94.8Very high93.5Very high95 Ų9551.7 Ų51.741%0.41327%0.273SS..Hα-helixtrans-76.7-34176.8-72.1176.8-167.995.90112.1D138 A139 F140 Q145D138-K142 VanDerWaalsContact O-CD 3.26Å; D138-K142 WeakPolarHBondContact O-CD 3.32Å; D138-K142 WeakPolarHBondContact O-CG 3.28Å; D138-K142 PolarHBondContact O-NZ 3.49Å; D138-K142 IonicContact OD2-NZ 2.83Å; D138-K142 PolarHBondContact OD2-NZ 3.11Å; A139-K142 PolarHBondContact O-N 2.84Å; A139-K142 VanDerWaalsContact O-N 3.13Å; F140-K142 VanDerWaalsContact C-N 3.29Å; F140-K142 PolarHBondContact O-N 2.6Å; K142-Q145 PolarHBondContact O-N 3.27Å; K142-Q145 VanDerWaalsContact O-N 3.16Å
143V95.6Very high93.6Very high0 Ų054 Ų540%029%0.287CS..Hα-helixtrans-57.1-49.4171165.60000110.6I23 A139 F140 Q145 L146 R152 A155 T156 L159I23-V143 HydrophobicContact CD1-CB 4.21Å; I23-V143 HydrophobicContact CD1-CG2 3.29Å; A139-V143 PolarHBondContact O-N 3.48Å; F140-V143 PolarHBondContact O-N 3Å; V143-Q145 PolarHBondContact O-N 3.49Å; V143-L146 HydrophobicContact CG1-CD1 4.33Å; V143-L146 WeakPolarHBondContact O-CB 3.41Å; V143-L146 WeakPolarHBondContact O-CD1 3.25Å; V143-L146 VanDerWaalsContact O-CG 3.25Å; V143-L146 WeakPolarHBondContact O-CG 3.49Å; V143-L146 PolarHBondContact O-N 3.3Å; V143-R152 VanDerWaalsContact CG1-O 3.22Å; V143-R152 WeakPolarHBondContact CG1-O 3.23Å; V143-R152 WeakPolarHBondContact O-CG 3.35Å; V143-A155 HydrophobicContact CB-CB 4.43Å; V143-A155 HydrophobicContact CG1-CB 3.83Å; V143-A155 HydrophobicContact CG2-CB 3.77Å; V143-T156 WeakPolarHBondContact CG1-OG1 3.33Å; V143-L159 HydrophobicContact CB-CD1 4.32Å; V143-L159 HydrophobicContact CG2-CD1 3.45Å; V143-L159 VanDerWaalsContact CG2-CD1 3.45Å; V143-L159 HydrophobicContact CG2-CG 4.22Å
144Q95.5Very high93.8Very high17 Ų1756 Ų568%0.07930%0.301CS..THydrogen-bonded Turntrans-69.20.5-179.6-67.1-60-34.900114.8F140 T156 L223 A226 I227F140-Q144 PolarHBondContact O-N 3.38Å; Q144-T156 PolarHBondContact NE2-OG1 3.25Å; Q144-T156 VanDerWaalsContact NE2-OG1 3.07Å; Q144-L223 HydrophobicContact CB-CB 4.43Å; Q144-L223 HydrophobicContact CB-CD2 3.59Å; Q144-A226 HydrophobicContact CG-CB 4.33Å; Q144-I227 HydrophobicContact CG-CD1 4.36Å; Q144-I227 HydrophobicContact CG-CG1 3.61Å
145Q94.1Very high94.1Very high132 Ų13251.9 Ų51.962%0.61728%0.276SS*.THydrogen-bonded Turntrans-1023.6171.6-70.716764.700112.9L141 K142 V143 L223L141-Q145 PolarHBondContact O-NE2 3.32Å; K142-Q145 PolarHBondContact O-N 3.27Å; K142-Q145 VanDerWaalsContact O-N 3.16Å; V143-Q145 PolarHBondContact O-N 3.49Å; Q145-L223 HydrophobicContact CG-CD1 4.49Å
146L95.3Very high94.4Very high25 Ų2549.8 Ų49.813%0.13127%0.266CS..SBendtrans-68.5143.9171.1-65.2165.6000110.5Y21 I23 V143 E151 R152 A155Y21-L146 HydrophobicContact CD1-CD1 3.6Å; Y21-L146 HydrophobicContact CD1-CD2 4.3Å; Y21-L146 HydrophobicContact CE1-CD1 4.35Å; Y21-L146 HydrophobicContact CG-CD1 4.15Å; I23-L146 HydrophobicContact CD1-CD1 4.44Å; V143-L146 HydrophobicContact CG1-CD1 4.33Å; V143-L146 WeakPolarHBondContact O-CB 3.41Å; V143-L146 WeakPolarHBondContact O-CD1 3.25Å; V143-L146 VanDerWaalsContact O-CG 3.25Å; V143-L146 WeakPolarHBondContact O-CG 3.49Å; V143-L146 PolarHBondContact O-N 3.3Å; L146-E151 HydrophobicContact CB-CB 4.09Å; L146-E151 HydrophobicContact CD1-CB 4.24Å; L146-R152 HydrophobicContact CB-CG 3.86Å; L146-R152 VanDerWaalsContact O-CD 3.27Å; L146-R152 WeakPolarHBondContact O-CD 3.21Å; L146-R152 WeakPolarHBondContact O-CG 3.44Å; L146-R152 PolarHBondContact O-NE 3.29Å; L146-A155 HydrophobicContact CD1-CB 3.76Å
147P92.8Very high94.7Very high117 Ų11750.3 Ų50.376%0.7627%0.269SS*.SBendtrans-71.1-45.4-17127-33.5000112.8E151P147-E151 WeakPolarHBondContact CD-OE2 3.46Å; P147-E151 WeakPolarHBondContact CG-OE2 3.36Å
148S95.4Very high94.8Very high42 Ų4249.8 Ų49.829%0.29427%0.266SS..SBendtrans-77.5143.3179172.90000111.9E150 E151 R152S148-E150 VanDerWaalsContact C-N 3.31Å; S148-E150 PolarHBondContact OG-N 3.04Å; S148-E150 VanDerWaalsContact OG-N 3.15Å; S148-E151 WeakPolarHBondContact CB-OE2 3.44Å; S148-E151 PolarHBondContact N-OE2 3.35Å; S148-E151 PolarHBondContact O-N 2.67Å; S148-R152 WeakPolarHBondContact O-CG 3.26Å; S148-R152 PolarHBondContact O-N 2.94Å
149A94.4Very high95Very high55 Ų5544.7 Ų44.746%0.45524%0.239SC..Hα-helixtrans-62.8-38.6170.700000111.8R152 T153A149-R152 PolarHBondContact O-N 3.33Å; A149-T153 PolarHBondContact O-N 2.94Å; A149-T153 PolarHBondContact O-OG1 3.18Å
150E94.4Very high95Very high157 Ų15744.4 Ų44.473%0.73424%0.237SC*.Hα-helixtrans-67.3-38.9178.1-61.5172.3-178.100111.6S148 T153 S154S148-E150 VanDerWaalsContact C-N 3.31Å; S148-E150 PolarHBondContact OG-N 3.04Å; S148-E150 VanDerWaalsContact OG-N 3.15Å; E150-T153 PolarHBondContact O-N 2.69Å; E150-S154 VanDerWaalsContact O-CB 3.25Å; E150-S154 WeakPolarHBondContact O-CB 3.46Å; E150-S154 PolarHBondContact O-N 2.95Å; E150-S154 PolarHBondContact O-OG 2.86Å
151E94.8Very high95Very high69 Ų6945.1 Ų45.132%0.32224%0.242SC..Hα-helixtrans-63.9-43.7172.9-72178.2142.500111.4Y21 L146 P147 S148 S154 A155Y21-E151 HydrophobicContact CD1-CB 4.32Å; Y21-E151 HydrophobicContact CE1-CB 4Å; Y21-E151 HydrophobicContact CE1-CG 4.15Å; L146-E151 HydrophobicContact CB-CB 4.09Å; L146-E151 HydrophobicContact CD1-CB 4.24Å; P147-E151 WeakPolarHBondContact CD-OE2 3.46Å; P147-E151 WeakPolarHBondContact CG-OE2 3.36Å; S148-E151 WeakPolarHBondContact CB-OE2 3.44Å; S148-E151 PolarHBondContact N-OE2 3.35Å; S148-E151 PolarHBondContact O-N 2.67Å; E151-S154 WeakPolarHBondContact CA-OG 3.32Å; E151-S154 PolarHBondContact O-OG 2.86Å; E151-A155 WeakPolarHBondContact O-CB 2.92Å; E151-A155 PolarHBondContact O-N 2.9Å
152R95.9Very high94.9Very high85 Ų8544 Ų4432%0.32124%0.236SC..Hα-helixtrans-59.4-47.4174.9-73.9-173.9-76133.5-4111.5V143 L146 S148 A149 T156V143-R152 VanDerWaalsContact CG1-O 3.22Å; V143-R152 WeakPolarHBondContact CG1-O 3.23Å; V143-R152 WeakPolarHBondContact O-CG 3.35Å; L146-R152 HydrophobicContact CB-CG 3.86Å; L146-R152 VanDerWaalsContact O-CD 3.27Å; L146-R152 WeakPolarHBondContact O-CD 3.21Å; L146-R152 WeakPolarHBondContact O-CG 3.44Å; L146-R152 PolarHBondContact O-NE 3.29Å; S148-R152 WeakPolarHBondContact O-CG 3.26Å; S148-R152 PolarHBondContact O-N 2.94Å; A149-R152 PolarHBondContact O-N 3.33Å; R152-T156 WeakPolarHBondContact O-CB 3.18Å; R152-T156 PolarHBondContact O-N 2.92Å; R152-T156 PolarHBondContact O-OG1 3.38Å
153T96.1Very high94.8Very high49 Ų4939.6 Ų39.630%0.30122%0.217SC..Hα-helixtrans-66.1-54.8179-61.20000111.4A149 E150 A155 T156 M157A149-T153 PolarHBondContact O-N 2.94Å; A149-T153 PolarHBondContact O-OG1 3.18Å; E150-T153 PolarHBondContact O-N 2.69Å; T153-A155 PolarHBondContact O-N 3.01Å; T153-T156 WeakPolarHBondContact O-CA 3.39Å; T153-T156 WeakPolarHBondContact O-CB 3.32Å; T153-T156 PolarHBondContact O-N 2.82Å; T153-M157 HydrophobicContact CG2-CG 4.48Å; T153-M157 WeakPolarHBondContact O-CG 3.39Å; T153-M157 PolarHBondContact O-N 2.89Å
154S95.1Very high94.6Very high46 Ų4640 Ų4032%0.32222%0.22SC..Hα-helixtrans-59.4-42.1-17856.60000112.9Y21 E150 E151 M157 L158Y21-S154 WeakPolarHBondContact OH-CB 3.26Å; Y21-S154 PolarHBondContact OH-OG 3.49Å; E150-S154 VanDerWaalsContact O-CB 3.25Å; E150-S154 WeakPolarHBondContact O-CB 3.46Å; E150-S154 PolarHBondContact O-N 2.95Å; E150-S154 PolarHBondContact O-OG 2.86Å; E151-S154 WeakPolarHBondContact CA-OG 3.32Å; E151-S154 PolarHBondContact O-OG 2.86Å; S154-M157 PolarHBondContact O-N 3.44Å; S154-L158 WeakPolarHBondContact O-CB 3.5Å; S154-L158 VanDerWaalsContact O-CG 3.28Å; S154-L158 WeakPolarHBondContact O-CG 3.15Å; S154-L158 PolarHBondContact O-N 3Å
155A95.9Very high94.2Very high0 Ų042.5 Ų42.50%023%0.234CC..Hα-helixtrans-72-27.7174.800000113.2L17 Y21 V143 L146 E151 T153 L159L17-A155 HydrophobicContact CD2-CB 3.86Å; Y21-A155 HydrophobicContact CD1-CB 3.95Å; Y21-A155 HydrophobicContact CD2-CB 4.07Å; Y21-A155 HydrophobicContact CE1-CB 3.9Å; Y21-A155 HydrophobicContact CE2-CB 4.02Å; Y21-A155 HydrophobicContact CG-CB 4Å; V143-A155 HydrophobicContact CB-CB 4.43Å; V143-A155 HydrophobicContact CG1-CB 3.83Å; V143-A155 HydrophobicContact CG2-CB 3.77Å; L146-A155 HydrophobicContact CD1-CB 3.76Å; E151-A155 WeakPolarHBondContact O-CB 2.92Å; E151-A155 PolarHBondContact O-N 2.9Å; T153-A155 PolarHBondContact O-N 3.01Å; A155-L159 PolarHBondContact O-N 3.01Å
156T96.5Very high94Very high1 Ų139.8 Ų39.81%0.00622%0.22CC..Hα-helixtrans-68.6-44.8173.3-63.60000110.3V143 Q144 R152 T153 L159 S160 C230 Y231V143-T156 WeakPolarHBondContact CG1-OG1 3.33Å; Q144-T156 PolarHBondContact NE2-OG1 3.25Å; Q144-T156 VanDerWaalsContact NE2-OG1 3.07Å; R152-T156 WeakPolarHBondContact O-CB 3.18Å; R152-T156 PolarHBondContact O-N 2.92Å; R152-T156 PolarHBondContact O-OG1 3.38Å; T153-T156 WeakPolarHBondContact O-CA 3.39Å; T153-T156 WeakPolarHBondContact O-CB 3.32Å; T153-T156 PolarHBondContact O-N 2.82Å; T156-L159 PolarHBondContact O-N 3Å; T156-S160 PolarHBondContact O-N 2.65Å; T156-C230 HydrophobicContact CG2-CB 3.93Å; T156-Y231 HydrophobicContact CG2-CD1 3.98Å; T156-Y231 HydrophobicContact CG2-CE1 3.42Å; T156-Y231 VanDerWaalsContact CG2-CE1 3.42Å; T156-Y231 HydrophobicContact CG2-CE2 4.06Å; T156-Y231 VanDerWaalsContact CG2-CZ 3.45Å; T156-Y231 VanDerWaalsContact O-CE1 3.32Å; T156-Y231 WeakPolarHBondContact O-CE1 3.48Å; T156-Y231 PolarHBondContact O-OH 2.97Å
157M95.9Very high93.9Very high14 Ų1439 Ų397%0.06922%0.216CC..Hα-helixtrans-65.6-41.3175.4-57.6-42.1-70.700111.5T153 S154 L159 S160 C161 Y231 N234 N237 F238T153-M157 HydrophobicContact CG2-CG 4.48Å; T153-M157 WeakPolarHBondContact O-CG 3.39Å; T153-M157 PolarHBondContact O-N 2.89Å; S154-M157 PolarHBondContact O-N 3.44Å; M157-L159 VanDerWaalsContact C-N 3.28Å; M157-L159 PolarHBondContact O-N 3.46Å; M157-S160 WeakPolarHBondContact O-CB 3.48Å; M157-S160 PolarHBondContact O-N 3.34Å; M157-S160 PolarHBondContact O-OG 2.84Å; M157-C161 PolarHBondContact O-N 2.92Å; M157-Y231 HydrophobicContact CE-CD1 4.21Å; M157-Y231 HydrophobicContact CE-CE1 4.46Å; M157-Y231 HydrophobicContact SD-CD1 3.73Å; M157-Y231 HydrophobicContact SD-CE1 3.85Å; M157-N234 HydrophobicContact CE-CB 3.72Å; M157-N234 VanDerWaalsContact CE-O 3.26Å; M157-N234 WeakPolarHBondContact CE-O 3.46Å; M157-N234 HydrophobicContact CG-CB 4.31Å; M157-N234 HydrophobicContact SD-CB 3.58Å; M157-N234 VanDerWaalsContact SD-CB 3.58Å; M157-N237 VanDerWaalsContact CE-C 3.42Å; M157-N237 HydrophobicContact CE-CB 3.93Å; M157-N237 VanDerWaalsContact CE-O 3.32Å; M157-N237 WeakPolarHBondContact CE-O 3.36Å; M157-F238 HydrophobicContact CE-CB 4.26Å
158L95Very high94Very high2 Ų234.5 Ų34.51%0.0119%0.186CC..Hα-helixtrans-60.5-33172.3-74.7170.2000113.3A13 H16 L17 Y21 S154 S160 C161 L241 P242 L245A13-L158 HydrophobicContact CB-CD2 4.37Å; H16-L158 WeakPolarHBondContact ND1-CD1 3.17Å; L17-L158 HydrophobicContact CD1-CB 4.06Å; L17-L158 HydrophobicContact CD2-CB 3.82Å; L17-L158 HydrophobicContact CD2-CD1 4.3Å; L17-L158 HydrophobicContact CG-CB 3.93Å; Y21-L158 HydrophobicContact CE2-CD1 3.84Å; S154-L158 WeakPolarHBondContact O-CB 3.5Å; S154-L158 VanDerWaalsContact O-CG 3.28Å; S154-L158 WeakPolarHBondContact O-CG 3.15Å; S154-L158 PolarHBondContact O-N 3Å; L158-S160 VanDerWaalsContact C-N 3.31Å; L158-S160 PolarHBondContact O-N 2.96Å; L158-C161 WeakPolarHBondContact O-CB 3.42Å; L158-C161 PolarHBondContact O-N 3.29Å; L158-L241 HydrophobicContact CD2-CD1 4.29Å; L158-P242 HydrophobicContact CD2-CG 3.98Å; L158-L245 HydrophobicContact CD2-CD1 3.57Å
159L94.8Very high93.9Very high0 Ų033.2 Ų33.20%018%0.177CC..Hα-helixtrans-68.7-27.2173.1-83.9177.7000113.3L17 I25 A139 F140 V143 A155 T156 M157 C161 V162 L163L17-L159 HydrophobicContact CD1-CD2 3.71Å; L17-L159 HydrophobicContact CD1-CG 3.93Å; I25-L159 HydrophobicContact CD1-CD2 3.45Å; I25-L159 VanDerWaalsContact CD1-CD2 3.45Å; I25-L159 HydrophobicContact CG1-CD2 4.19Å; A139-L159 HydrophobicContact CB-CD1 4.09Å; A139-L159 HydrophobicContact CB-CD2 4.01Å; F140-L159 HydrophobicContact CB-CD1 4.4Å; F140-L159 HydrophobicContact CD1-CB 3.96Å; F140-L159 HydrophobicContact CD1-CD1 3.41Å; F140-L159 VanDerWaalsContact CD1-CD1 3.41Å; F140-L159 HydrophobicContact CD1-CG 4.29Å; F140-L159 HydrophobicContact CE1-CB 3.59Å; F140-L159 HydrophobicContact CE1-CD1 3.89Å; F140-L159 HydrophobicContact CE1-CG 4.3Å; F140-L159 HydrophobicContact CG-CD1 4.05Å; V143-L159 HydrophobicContact CB-CD1 4.32Å; V143-L159 HydrophobicContact CG2-CD1 3.45Å; V143-L159 VanDerWaalsContact CG2-CD1 3.45Å; V143-L159 HydrophobicContact CG2-CG 4.22Å; A155-L159 PolarHBondContact O-N 3.01Å; T156-L159 PolarHBondContact O-N 3Å; M157-L159 VanDerWaalsContact C-N 3.28Å; M157-L159 PolarHBondContact O-N 3.46Å; L159-C161 VanDerWaalsContact C-N 3.29Å; L159-C161 PolarHBondContact O-N 3.07Å; L159-V162 CarbonylContact O-C 3.4Å; L159-V162 WeakPolarHBondContact O-CA 3.22Å; L159-V162 PolarHBondContact O-N 2.82Å; L159-L163 PolarHBondContact O-N 3.04Å
160S94.7Very high94Very high0 Ų030.7 Ų30.70%016%0.156CC..Hα-helixtrans-65.8-33.6174.874.40000112.2T156 M157 L158 V162 L163 G239T156-S160 PolarHBondContact O-N 2.65Å; M157-S160 WeakPolarHBondContact O-CB 3.48Å; M157-S160 PolarHBondContact O-N 3.34Å; M157-S160 PolarHBondContact O-OG 2.84Å; L158-S160 VanDerWaalsContact C-N 3.31Å; L158-S160 PolarHBondContact O-N 2.96Å; S160-V162 PolarHBondContact O-N 2.99Å; S160-V162 VanDerWaalsContact O-N 3.16Å; S160-L163 WeakPolarHBondContact O-CB 3.41Å; S160-L163 PolarHBondContact O-N 3.45Å; S160-G239 WeakPolarHBondContact OG-CA 3.47Å; S160-G239 PolarHBondContact OG-N 3.45Å
161C93.1Very high94.1Very high18 Ų1823.2 Ų23.212%0.12212%0.121CC..THydrogen-bonded Turntrans-64.3-13.7169-62.30000113.4A13 M157 L158 L159 V240A13-C161 HydrophobicContact CB-CB 3.93Å; M157-C161 PolarHBondContact O-N 2.92Å; L158-C161 WeakPolarHBondContact O-CB 3.42Å; L158-C161 PolarHBondContact O-N 3.29Å; L159-C161 VanDerWaalsContact C-N 3.29Å; L159-C161 PolarHBondContact O-N 3.07Å; C161-V240 VanDerWaalsContact SG-C 3.52Å; C161-V240 PolarHBondContact SG-O 2.67Å
162V92.9Very high94.1Very high1 Ų122.1 Ų22.11%0.00612%0.116CC..THydrogen-bonded Turntrans-106.87.8179.9-168.60000112R10 A13 V14 L17 I25 L159 S160R10-V162 HydrophobicContact CG-CG1 4.5Å; R10-V162 VanDerWaalsContact NH2-C 3.29Å; R10-V162 PolarHBondContact NH2-O 3.3Å; A13-V162 HydrophobicContact CB-CG2 3.82Å; V14-V162 HydrophobicContact CG2-CB 4.38Å; V14-V162 HydrophobicContact CG2-CG1 3.57Å; V14-V162 HydrophobicContact CG2-CG2 3.75Å; L17-V162 HydrophobicContact CD1-CG2 4.15Å; I25-V162 HydrophobicContact CD1-CB 4.36Å; I25-V162 HydrophobicContact CD1-CG1 3.87Å; I25-V162 HydrophobicContact CD1-CG2 4.32Å; I25-V162 HydrophobicContact CG2-CG1 4.36Å; L159-V162 CarbonylContact O-C 3.4Å; L159-V162 WeakPolarHBondContact O-CA 3.22Å; L159-V162 PolarHBondContact O-N 2.82Å; S160-V162 PolarHBondContact O-N 2.99Å; S160-V162 VanDerWaalsContact O-N 3.16Å
163L92.6Very high94.2Very high1 Ų119.7 Ų19.71%0.00511%0.108CC..SBendtrans-76.5152.6168.3-75.4166.1000112.5R10 L132 P133 L136 F140 L159 S160 T168 L171 F238R10-L163 PolarHBondContact NH1-O 3.15Å; R10-L163 PolarHBondContact NH2-O 3.05Å; L132-L163 HydrophobicContact CD2-CD1 3.92Å; L132-L163 HydrophobicContact CD2-CD2 3.85Å; P133-L163 VanDerWaalsContact CD-CD2 3.5Å; P133-L163 HydrophobicContact CG-CD2 4.46Å; L136-L163 HydrophobicContact CD1-CD2 3.97Å; F140-L163 HydrophobicContact CZ-CD2 4.07Å; F140-L163 HydrophobicContact CZ-CG 4.45Å; L159-L163 PolarHBondContact O-N 3.04Å; S160-L163 WeakPolarHBondContact O-CB 3.41Å; S160-L163 PolarHBondContact O-N 3.45Å; L163-T168 WeakPolarHBondContact CB-OG1 3.26Å; L163-L171 HydrophobicContact CD1-CD1 3.78Å; L163-F238 HydrophobicContact CD1-CE1 4.35Å; L163-F238 HydrophobicContact CD1-CE2 4.44Å; L163-F238 HydrophobicContact CD1-CZ 3.61Å
164P90.8Very high94.3Very high10 Ų1017.4 Ų17.47%0.0659%0.094CC..  trans-60.2137.5173.3-17.728.2000110.6W28 P133 K166 N167 T168W28-P164 HydrophobicContact CH2-CB 3.7Å; W28-P164 HydrophobicContact CH2-CG 3.68Å; W28-P164 HydrophobicContact CZ2-CB 4.3Å; W28-P164 HydrophobicContact CZ2-CG 4.17Å; W28-P164 HydrophobicContact CZ3-CB 4.25Å; W28-P164 HydrophobicContact CZ3-CG 3.86Å; P133-P164 HydrophobicContact CG-CG 3.96Å; P164-K166 VanDerWaalsContact C-N 3.32Å; P164-K166 PolarHBondContact O-N 3.43Å; P164-K166 VanDerWaalsContact O-N 3.08Å; P164-N167 HydrophobicContact CB-CB 4.31Å; P164-N167 HydrophobicContact CG-CB 4.33Å; P164-N167 CarbonylContact O-C 3.54Å; P164-N167 WeakPolarHBondContact O-CA 3.44Å; P164-N167 WeakPolarHBondContact O-CB 3.25Å; P164-N167 PolarHBondContact O-N 2.79Å; P164-T168 PolarHBondContact O-N 3.49Å; P164-T168 PolarHBondContact O-OG1 3.19Å
165D88.3Confident94.4Very high69 Ų6915.2 Ų15.237%0.3698%0.078SC..Hα-helixtrans-42.3-51.5-174-78.955.9000114.8K6 R10 N167 T168 C169K6-D165 WeakPolarHBondContact CD-OD2 3.3Å; K6-D165 WeakPolarHBondContact CE-OD2 3.37Å; K6-D165 IonicContact NZ-OD2 3.47Å; K6-D165 PolarHBondContact NZ-OD2 3Å; R10-D165 IonicContact NH1-OD1 3.9Å; D165-N167 PolarHBondContact O-N 3.06Å; D165-T168 WeakPolarHBondContact O-CB 3.35Å; D165-T168 PolarHBondContact O-N 3.3Å; D165-T168 VanDerWaalsContact O-N 3.15Å; D165-C169 PolarHBondContact O-N 2.89Å; D165-C169 PolarHBondContact O-SG 2.74Å
166K89.3Confident94.4Very high74 Ų7417.5 Ų17.532%0.3229%0.091SC..Hα-helixtrans-62.7-40.8179.3-68.1-172.7176.2-175.70112.5D52 P164 T168 C169 V170D52-K166 WeakPolarHBondContact OD1-CD 3.38Å; D52-K166 WeakPolarHBondContact OD1-CE 3.37Å; D52-K166 IonicContact OD1-NZ 3.05Å; D52-K166 PolarHBondContact OD1-NZ 2.98Å; P164-K166 VanDerWaalsContact C-N 3.32Å; P164-K166 PolarHBondContact O-N 3.43Å; P164-K166 VanDerWaalsContact O-N 3.08Å; K166-T168 VanDerWaalsContact C-N 3.3Å; K166-C169 PolarHBondContact O-N 3.11Å; K166-V170 WeakPolarHBondContact O-CB 3.43Å; K166-V170 VanDerWaalsContact O-CG2 3.24Å; K166-V170 WeakPolarHBondContact O-CG2 3.46Å; K166-V170 PolarHBondContact O-N 2.93Å
167N93.7Very high94.5Very high9 Ų917.7 Ų17.75%0.0489%0.091CC..Hα-helixtrans-64.6-38.2175.4-59.150.4000110.4I131 P164 D165 L171I131-N167 HydrophobicContact CD1-CB 4Å; I131-N167 PolarHBondContact O-ND2 3.31Å; P164-N167 HydrophobicContact CB-CB 4.31Å; P164-N167 HydrophobicContact CG-CB 4.33Å; P164-N167 CarbonylContact O-C 3.54Å; P164-N167 WeakPolarHBondContact O-CA 3.44Å; P164-N167 WeakPolarHBondContact O-CB 3.25Å; P164-N167 PolarHBondContact O-N 2.79Å; D165-N167 PolarHBondContact O-N 3.06Å; N167-L171 VanDerWaalsContact O-CB 3.26Å; N167-L171 WeakPolarHBondContact O-CB 3.27Å; N167-L171 VanDerWaalsContact O-CG 3.31Å; N167-L171 WeakPolarHBondContact O-CG 3.45Å; N167-L171 PolarHBondContact O-N 2.89Å
168T93.8Very high94.6Very high23 Ų2317 Ų1714%0.1419%0.088CC..Hα-helixtrans-62.9-49.4175.2-49.90000111.4L163 P164 D165 K166 V170 L171 H172 F238L163-T168 WeakPolarHBondContact CB-OG1 3.26Å; P164-T168 PolarHBondContact O-N 3.49Å; P164-T168 PolarHBondContact O-OG1 3.19Å; D165-T168 WeakPolarHBondContact O-CB 3.35Å; D165-T168 PolarHBondContact O-N 3.3Å; D165-T168 VanDerWaalsContact O-N 3.15Å; K166-T168 VanDerWaalsContact C-N 3.3Å; T168-V170 VanDerWaalsContact C-N 3.34Å; T168-V170 PolarHBondContact O-N 3Å; T168-L171 PolarHBondContact O-N 3.17Å; T168-H172 VanDerWaalsContact O-CB 3.3Å; T168-H172 WeakPolarHBondContact O-CB 3.45Å; T168-H172 PolarHBondContact O-N 3.4Å; T168-F238 HydrophobicContact CG2-CD1 4.32Å; T168-F238 HydrophobicContact CG2-CE1 3.98Å
169C93.6Very high94.8Very high15 Ų1518.3 Ų18.310%0.1019%0.094CC..Hα-helixtrans-56.6-47177-56.60000112C61 R63 D165 K166 H173C61-C169 WeakPolarHBondContact O-CB 3.03Å; C61-C169 PolarHBondContact O-SG 3.48Å; R63-C169 WeakPolarHBondContact O-CB 3.34Å; D165-C169 PolarHBondContact O-N 2.89Å; D165-C169 PolarHBondContact O-SG 2.74Å; K166-C169 PolarHBondContact O-N 3.11Å; C169-H173 PolarHBondContact O-N 3.06Å
170V96.1Very high94.9Very high2 Ų221 Ų211%0.01211%0.113CC..Hα-helixtrans-66.3-41.6-178.9168.60000112.4V64 P65 L68 F124 I131 K166 T168 F174V64-V170 HydrophobicContact CG1-CG2 4.42Å; P65-V170 VanDerWaalsContact CD-CG2 3.4Å; P65-V170 HydrophobicContact CG-CG2 4.28Å; L68-V170 HydrophobicContact CD2-CG1 3.72Å; F124-V170 HydrophobicContact CE1-CG1 3.98Å; F124-V170 HydrophobicContact CZ-CG1 4.44Å; I131-V170 HydrophobicContact CD1-CB 4.03Å; I131-V170 HydrophobicContact CD1-CG1 3.65Å; I131-V170 HydrophobicContact CG1-CG1 4.29Å; K166-V170 WeakPolarHBondContact O-CB 3.43Å; K166-V170 VanDerWaalsContact O-CG2 3.24Å; K166-V170 WeakPolarHBondContact O-CG2 3.46Å; K166-V170 PolarHBondContact O-N 2.93Å; T168-V170 VanDerWaalsContact C-N 3.34Å; T168-V170 PolarHBondContact O-N 3Å; V170-F174 WeakPolarHBondContact O-CB 3.36Å; V170-F174 PolarHBondContact O-N 2.94Å
171L96.9Very high95Very high0 Ų021 Ų210%011%0.113CC..Hα-helixtrans-75.1-34.4179.4-74.7169000112.7I131 L132 L163 N167 T168 F174 F175 L203 F238I131-L171 HydrophobicContact CD1-CG 4.35Å; I131-L171 HydrophobicContact CG1-CD1 3.85Å; I131-L171 HydrophobicContact CG1-CD2 3.66Å; I131-L171 HydrophobicContact CG1-CG 3.55Å; I131-L171 HydrophobicContact CG2-CD2 4.07Å; L132-L171 HydrophobicContact CD2-CD1 3.56Å; L132-L171 HydrophobicContact CG-CD1 4.07Å; L163-L171 HydrophobicContact CD1-CD1 3.78Å; N167-L171 VanDerWaalsContact O-CB 3.26Å; N167-L171 WeakPolarHBondContact O-CB 3.27Å; N167-L171 VanDerWaalsContact O-CG 3.31Å; N167-L171 WeakPolarHBondContact O-CG 3.45Å; N167-L171 PolarHBondContact O-N 2.89Å; T168-L171 PolarHBondContact O-N 3.17Å; L171-F174 PolarHBondContact O-N 2.88Å; L171-F175 HydrophobicContact CB-CD2 4Å; L171-F175 HydrophobicContact CB-CE2 3.85Å; L171-F175 HydrophobicContact CD2-CE2 3.79Å; L171-F175 HydrophobicContact CD2-CZ 4.08Å; L171-F175 HydrophobicContact CG-CE2 4.27Å; L171-F175 WeakPolarHBondContact O-CB 3.09Å; L171-F175 WeakPolarHBondContact O-CD2 3.26Å; L171-F175 WeakPolarHBondContact O-CG 3.32Å; L171-F175 PolarHBondContact O-N 3.35Å; L171-L203 HydrophobicContact CD2-CD2 4.27Å; L171-F238 HydrophobicContact CB-CE1 3.57Å; L171-F238 HydrophobicContact CB-CE2 4.42Å; L171-F238 HydrophobicContact CB-CZ 3.47Å; L171-F238 VanDerWaalsContact CB-CZ 3.47Å; L171-F238 HydrophobicContact CD1-CZ 4.08Å; L171-F238 HydrophobicContact CG-CZ 4.41Å
172H96.1Very high95.3Very high46 Ų4620.7 Ų20.721%0.21311%0.111CC..Hα-helixtrans-55.1-62.2173.6-168.8-46.7000109.7C61 T168 F174 F175 D176 F238C61-H172 HydrophobicContact CB-CB 4.16Å; T168-H172 VanDerWaalsContact O-CB 3.3Å; T168-H172 WeakPolarHBondContact O-CB 3.45Å; T168-H172 PolarHBondContact O-N 3.4Å; H172-F174 VanDerWaalsContact C-N 3.25Å; H172-F174 PolarHBondContact O-N 3.29Å; H172-F174 VanDerWaalsContact O-N 3.17Å; H172-F175 PolarHBondContact O-N 3.47Å; H172-D176 VanDerWaalsContact C-OD2 3.27Å; H172-D176 IonicContact CE1-OD1 2.64Å; H172-D176 IonicContact CE1-OD2 3.23Å; H172-D176 PolarHBondContact CE1-OD2 3.02Å; H172-D176 IonicContact CG-OD2 2.85Å; H172-D176 IonicContact ND1-OD1 3.47Å; H172-D176 PolarHBondContact ND1-OD1 2.92Å; H172-D176 IonicContact ND1-OD2 3.6Å; H172-D176 PolarHBondContact ND1-OD2 3.24Å; H172-D176 PolarHBondContact O-N 2.75Å; H172-F238 HydrophobicContact CB-CD1 3.86Å; H172-F238 HydrophobicContact CB-CE1 4.49Å; H172-F238 PolarHBondContact CD2-O 3.32Å
173H96.8Very high95.5Very high34 Ų3427 Ų2716%0.15714%0.14CC..Hα-helixtrans-54.4-39.9178.2177.775.2000113V64 C169 F177V64-H173 HydrophobicContact CG1-CB 4.39Å; V64-H173 HydrophobicContact CG2-CB 4.03Å; C169-H173 PolarHBondContact O-N 3.06Å; H173-F177 WeakPolarHBondContact O-CB 3.45Å; H173-F177 PolarHBondContact O-N 3.13Å; H173-F177 VanDerWaalsContact O-N 3.12Å
174F97.9Very high95.7Very high0 Ų032.1 Ų32.10%016%0.16CC..Hα-helixtrans-72.2-34.8178.7-170.3-124.6000113.1L68 V120 F124 V170 L171 H172 F177 L178 L199 L203L68-F174 HydrophobicContact CD1-CD2 4.15Å; V120-F174 HydrophobicContact CG1-CD2 4.5Å; V120-F174 HydrophobicContact CG1-CE2 3.59Å; V120-F174 HydrophobicContact CG1-CZ 3.85Å; F124-F174 HydrophobicContact CD2-CE1 4.13Å; F124-F174 HydrophobicContact CD2-CZ 4.33Å; F124-F174 AromaticContact CE2-CD1 3.61Å; F124-F174 HydrophobicContact CE2-CD1 3.61Å; F124-F174 HydrophobicContact CE2-CD2 4.01Å; F124-F174 AromaticContact CE2-CE1 3.48Å; F124-F174 HydrophobicContact CE2-CE1 3.48Å; F124-F174 VanDerWaalsContact CE2-CE1 3.48Å; F124-F174 AromaticContact CE2-CE2 3.92Å; F124-F174 HydrophobicContact CE2-CE2 3.92Å; F124-F174 AromaticContact CE2-CG 3.89Å; F124-F174 HydrophobicContact CE2-CG 3.89Å; F124-F174 AromaticContact CE2-CZ 3.66Å; F124-F174 HydrophobicContact CE2-CZ 3.66Å; F124-F174 HydrophobicContact CZ-CB 4.27Å; F124-F174 AromaticContact CZ-CD1 3.7Å; F124-F174 HydrophobicContact CZ-CD1 3.7Å; F124-F174 HydrophobicContact CZ-CD2 4.24Å; F124-F174 HydrophobicContact CZ-CE1 4.07Å; F124-F174 AromaticContact CZ-CG 3.8Å; F124-F174 HydrophobicContact CZ-CG 3.8Å; V170-F174 WeakPolarHBondContact O-CB 3.36Å; V170-F174 PolarHBondContact O-N 2.94Å; L171-F174 PolarHBondContact O-N 2.88Å; H172-F174 VanDerWaalsContact C-N 3.25Å; H172-F174 PolarHBondContact O-N 3.29Å; H172-F174 VanDerWaalsContact O-N 3.17Å; F174-F177 AromaticContact CD2-CD1 3.79Å; F174-F177 HydrophobicContact CD2-CD1 3.79Å; F174-F177 HydrophobicContact CD2-CE1 4.4Å; F174-F177 AromaticContact CE2-CD1 3.75Å; F174-F177 HydrophobicContact CE2-CD1 3.75Å; F174-F177 AromaticContact CE2-CE1 3.9Å; F174-F177 HydrophobicContact CE2-CE1 3.9Å; F174-L178 HydrophobicContact CD1-CD1 3.89Å; F174-L178 HydrophobicContact CE1-CD1 3.59Å; F174-L178 HydrophobicContact CE1-CG 4.29Å; F174-L178 HydrophobicContact CE2-CD1 4.44Å; F174-L178 HydrophobicContact CE2-CD2 4.37Å; F174-L178 HydrophobicContact CE2-CG 4.28Å; F174-L178 HydrophobicContact CG-CD1 4.44Å; F174-L178 HydrophobicContact CZ-CD1 3.89Å; F174-L178 HydrophobicContact CZ-CD2 4.13Å; F174-L178 HydrophobicContact CZ-CG 4.13Å; F174-L178 VanDerWaalsContact O-CG 3.22Å; F174-L178 WeakPolarHBondContact O-CG 3.27Å; F174-L178 PolarHBondContact O-N 3.04Å; F174-L199 HydrophobicContact CE1-CD1 4.35Å; F174-L199 HydrophobicContact CZ-CD1 4.19Å; F174-L199 HydrophobicContact CZ-CD2 4.25Å; F174-L203 HydrophobicContact CD1-CD2 4.21Å; F174-L203 HydrophobicContact CE1-CD1 4.42Å; F174-L203 HydrophobicContact CE1-CD2 4Å
175F98Very high96Very high0 Ų033.9 Ų33.90%017%0.172CC..Hα-helixtrans-75.1-36.1175.8-72.1-51.8000112.3L171 H172 F177 L178 H179 L203 V228 Y231 I232 A235 F238L171-F175 HydrophobicContact CB-CD2 4Å; L171-F175 HydrophobicContact CB-CE2 3.85Å; L171-F175 HydrophobicContact CD2-CE2 3.79Å; L171-F175 HydrophobicContact CD2-CZ 4.08Å; L171-F175 HydrophobicContact CG-CE2 4.27Å; L171-F175 WeakPolarHBondContact O-CB 3.09Å; L171-F175 WeakPolarHBondContact O-CD2 3.26Å; L171-F175 WeakPolarHBondContact O-CG 3.32Å; L171-F175 PolarHBondContact O-N 3.35Å; H172-F175 PolarHBondContact O-N 3.47Å; F175-F177 VanDerWaalsContact C-N 3.31Å; F175-F177 PolarHBondContact O-N 3.45Å; F175-L178 HydrophobicContact CD1-CD1 3.95Å; F175-L178 HydrophobicContact CE1-CD1 4.25Å; F175-L178 PolarHBondContact O-N 2.8Å; F175-H179 WeakPolarHBondContact O-CB 3.32Å; F175-H179 PolarHBondContact O-N 3.4Å; F175-L203 HydrophobicContact CE1-CD1 4.33Å; F175-L203 HydrophobicContact CZ-CD1 4.27Å; F175-V228 HydrophobicContact CE1-CG1 4.09Å; F175-Y231 HydrophobicContact CD2-CG 4.35Å; F175-Y231 AromaticContact CE2-CD2 3.84Å; F175-Y231 HydrophobicContact CE2-CD2 3.84Å; F175-Y231 AromaticContact CE2-CG 3.9Å; F175-Y231 HydrophobicContact CE2-CG 3.9Å; F175-Y231 AromaticContact CZ-CD2 3.88Å; F175-Y231 HydrophobicContact CZ-CD2 3.88Å; F175-Y231 HydrophobicContact CZ-CG 4.13Å; F175-I232 HydrophobicContact CD1-CG1 3.88Å; F175-I232 HydrophobicContact CE1-CG1 4.24Å; F175-A235 HydrophobicContact CB-CB 4.07Å; F175-F238 AromaticContact CD2-CD2 3.69Å; F175-F238 HydrophobicContact CD2-CD2 3.69Å; F175-F238 AromaticContact CD2-CE2 3.55Å; F175-F238 HydrophobicContact CD2-CE2 3.55Å; F175-F238 HydrophobicContact CD2-CG 4.26Å; F175-F238 HydrophobicContact CD2-CZ 4Å; F175-F238 HydrophobicContact CE2-CD2 4.11Å; F175-F238 AromaticContact CE2-CE2 3.51Å; F175-F238 HydrophobicContact CE2-CE2 3.51Å; F175-F238 AromaticContact CE2-CZ 3.93Å; F175-F238 HydrophobicContact CE2-CZ 3.93Å
176D97Very high96.4Very high48 Ų4834.4 Ų34.426%0.25719%0.186SC..Hα-helixtrans-59.6-44.4171.3-54.6-41000111.1H172 H179 S180H172-D176 VanDerWaalsContact C-OD2 3.27Å; H172-D176 IonicContact CE1-OD1 2.64Å; H172-D176 IonicContact CE1-OD2 3.23Å; H172-D176 PolarHBondContact CE1-OD2 3.02Å; H172-D176 IonicContact CG-OD2 2.85Å; H172-D176 IonicContact ND1-OD1 3.47Å; H172-D176 PolarHBondContact ND1-OD1 2.92Å; H172-D176 IonicContact ND1-OD2 3.6Å; H172-D176 PolarHBondContact ND1-OD2 3.24Å; H172-D176 PolarHBondContact O-N 2.75Å; D176-H179 PolarHBondContact O-N 3.49Å; D176-S180 WeakPolarHBondContact O-CB 3.42Å; D176-S180 PolarHBondContact O-N 3.1Å; D176-S180 PolarHBondContact O-OG 3.33Å
177F97.7Very high96.8Very high5 Ų535.5 Ų35.52%0.02219%0.192CC..Hα-helixtrans-59.3-49173160.6-96.9000111.7C72 L75 L76 F85 H173 F174 F175 H179 S180 V181C72-F177 HydrophobicContact CB-CB 4.36Å; C72-F177 HydrophobicContact CB-CD2 3.74Å; C72-F177 HydrophobicContact CB-CE2 4.24Å; C72-F177 HydrophobicContact CB-CG 3.94Å; C72-F177 VanDerWaalsContact SG-CD1 3.59Å; C72-F177 WeakPolarHBondContact SG-CG 3.29Å; L75-F177 HydrophobicContact CB-CE2 3.64Å; L75-F177 HydrophobicContact CB-CZ 3.69Å; L75-F177 HydrophobicContact CD1-CZ 3.82Å; L75-F177 HydrophobicContact CG-CZ 4.42Å; L76-F177 HydrophobicContact CD1-CD2 4.17Å; L76-F177 HydrophobicContact CD2-CD2 3.81Å; L76-F177 HydrophobicContact CD2-CE2 4.13Å; L76-F177 HydrophobicContact CG-CD2 3.69Å; L76-F177 HydrophobicContact CG-CE2 3.96Å; F85-F177 AromaticContact CE2-CE1 3.7Å; F85-F177 HydrophobicContact CE2-CE1 3.7Å; F85-F177 AromaticContact CE2-CZ 3.85Å; F85-F177 HydrophobicContact CE2-CZ 3.85Å; F85-F177 AromaticContact CZ-CE1 3.55Å; F85-F177 HydrophobicContact CZ-CE1 3.55Å; F85-F177 AromaticContact CZ-CZ 3.83Å; F85-F177 HydrophobicContact CZ-CZ 3.83Å; H173-F177 WeakPolarHBondContact O-CB 3.45Å; H173-F177 PolarHBondContact O-N 3.13Å; H173-F177 VanDerWaalsContact O-N 3.12Å; F174-F177 AromaticContact CD2-CD1 3.79Å; F174-F177 HydrophobicContact CD2-CD1 3.79Å; F174-F177 HydrophobicContact CD2-CE1 4.4Å; F174-F177 AromaticContact CE2-CD1 3.75Å; F174-F177 HydrophobicContact CE2-CD1 3.75Å; F174-F177 AromaticContact CE2-CE1 3.9Å; F174-F177 HydrophobicContact CE2-CE1 3.9Å; F175-F177 VanDerWaalsContact C-N 3.31Å; F175-F177 PolarHBondContact O-N 3.45Å; F177-H179 PolarHBondContact O-N 3.27Å; F177-S180 WeakPolarHBondContact O-CB 3.15Å; F177-S180 PolarHBondContact O-N 2.9Å; F177-V181 HydrophobicContact CE1-CG2 4.2Å; F177-V181 HydrophobicContact CE2-CG2 3.91Å; F177-V181 HydrophobicContact CZ-CG2 3.73Å; F177-V181 WeakPolarHBondContact O-CG2 3.37Å; F177-V181 PolarHBondContact O-N 2.72Å
178L98.3Very high96.9Very high0 Ų035.1 Ų35.10%019%0.19CC..Hα-helixtrans-66.3-37179.8-71.2169.8000112.8F85 F174 F175 S180 V181 S182 L195 L199 I232F85-L178 HydrophobicContact CE2-CD2 4.1Å; F174-L178 HydrophobicContact CD1-CD1 3.89Å; F174-L178 HydrophobicContact CE1-CD1 3.59Å; F174-L178 HydrophobicContact CE1-CG 4.29Å; F174-L178 HydrophobicContact CE2-CD1 4.44Å; F174-L178 HydrophobicContact CE2-CD2 4.37Å; F174-L178 HydrophobicContact CE2-CG 4.28Å; F174-L178 HydrophobicContact CG-CD1 4.44Å; F174-L178 HydrophobicContact CZ-CD1 3.89Å; F174-L178 HydrophobicContact CZ-CD2 4.13Å; F174-L178 HydrophobicContact CZ-CG 4.13Å; F174-L178 VanDerWaalsContact O-CG 3.22Å; F174-L178 WeakPolarHBondContact O-CG 3.27Å; F174-L178 PolarHBondContact O-N 3.04Å; F175-L178 HydrophobicContact CD1-CD1 3.95Å; F175-L178 HydrophobicContact CE1-CD1 4.25Å; F175-L178 PolarHBondContact O-N 2.8Å; L178-S180 VanDerWaalsContact C-N 3.3Å; L178-S180 PolarHBondContact O-N 3.34Å; L178-V181 WeakPolarHBondContact O-CB 3.49Å; L178-V181 PolarHBondContact O-N 3.12Å; L178-V181 VanDerWaalsContact O-N 3.14Å; L178-S182 PolarHBondContact O-N 3.41Å; L178-S182 PolarHBondContact O-OG 3.26Å; L178-L195 HydrophobicContact CD2-CD1 4.28Å; L178-L195 HydrophobicContact CD2-CD2 4.2Å; L178-L199 HydrophobicContact CD1-CD1 3.56Å; L178-L199 HydrophobicContact CD2-CD1 3.36Å; L178-L199 HydrophobicContact CG-CD1 4.11Å; L178-I232 HydrophobicContact CB-CD1 4.3Å; L178-I232 HydrophobicContact CB-CG1 3.94Å; L178-I232 HydrophobicContact CB-CG2 4.27Å; L178-I232 HydrophobicContact CD1-CD1 4.13Å; L178-I232 HydrophobicContact CD1-CG1 4.04Å
179H98Very high97.1Very high30 Ų3038.9 Ų38.914%0.13921%0.205CC..Hα-helixtrans-59.6-45173.1-171.890.7000110.2F175 D176 F177 V181 S182 Q183 I232 A235F175-H179 WeakPolarHBondContact O-CB 3.32Å; F175-H179 PolarHBondContact O-N 3.4Å; D176-H179 PolarHBondContact O-N 3.49Å; F177-H179 PolarHBondContact O-N 3.27Å; H179-V181 VanDerWaalsContact C-N 3.25Å; H179-V181 PolarHBondContact O-N 2.97Å; H179-S182 WeakPolarHBondContact CA-OG 3.3Å; H179-S182 PolarHBondContact O-N 2.91Å; H179-S182 VanDerWaalsContact O-N 3.15Å; H179-S182 PolarHBondContact O-OG 3.5Å; H179-Q183 PolarHBondContact NE2-NE2 3.2Å; H179-Q183 VanDerWaalsContact O-CG 3.31Å; H179-Q183 WeakPolarHBondContact O-CG 3.31Å; H179-Q183 PolarHBondContact O-N 3.27Å; H179-I232 PolarHBondContact ND1-O 3.48Å; H179-A235 HydrophobicContact CB-CB 3.91Å
180S97.6Very high97.3Very high56 Ų5638.2 Ų38.239%0.39220%0.2SC..Hα-helixtrans-61.5-31.1175.5-54.40000112.9D176 F177 L178D176-S180 WeakPolarHBondContact O-CB 3.42Å; D176-S180 PolarHBondContact O-N 3.1Å; D176-S180 PolarHBondContact O-OG 3.33Å; F177-S180 WeakPolarHBondContact O-CB 3.15Å; F177-S180 PolarHBondContact O-N 2.9Å; L178-S180 VanDerWaalsContact C-N 3.3Å; L178-S180 PolarHBondContact O-N 3.34Å
181V97.9Very high97.4Very high0 Ų040.8 Ų40.80%021%0.214CC..Hα-helixtrans-72.6-45172.2177.80000111.3V79 F177 L178 H179 Q183 R184 N188 L195V79-V181 HydrophobicContact CG2-CB 4.33Å; V79-V181 HydrophobicContact CG2-CG2 4.07Å; F177-V181 HydrophobicContact CE1-CG2 4.2Å; F177-V181 HydrophobicContact CE2-CG2 3.91Å; F177-V181 HydrophobicContact CZ-CG2 3.73Å; F177-V181 WeakPolarHBondContact O-CG2 3.37Å; F177-V181 PolarHBondContact O-N 2.72Å; L178-V181 WeakPolarHBondContact O-CB 3.49Å; L178-V181 PolarHBondContact O-N 3.12Å; L178-V181 VanDerWaalsContact O-N 3.14Å; H179-V181 VanDerWaalsContact C-N 3.25Å; H179-V181 PolarHBondContact O-N 2.97Å; V181-Q183 VanDerWaalsContact C-N 3.35Å; V181-Q183 PolarHBondContact O-N 3.32Å; V181-R184 PolarHBondContact O-N 3.24Å; V181-R184 VanDerWaalsContact O-N 3.12Å; V181-N188 PolarHBondContact O-ND2 3.22Å; V181-L195 HydrophobicContact CB-CD1 4.21Å; V181-L195 HydrophobicContact CG1-CD1 4.04Å; V181-L195 HydrophobicContact CG1-CD2 4.43Å
182S97.8Very high97.5Very high11 Ų1141.2 Ų41.28%0.07722%0.217CC..Hα-helixtrans-69.6-28-178.750.80000114L178 H179 R184 S185 M190L178-S182 PolarHBondContact O-N 3.41Å; L178-S182 PolarHBondContact O-OG 3.26Å; H179-S182 WeakPolarHBondContact CA-OG 3.3Å; H179-S182 PolarHBondContact O-N 2.91Å; H179-S182 VanDerWaalsContact O-N 3.15Å; H179-S182 PolarHBondContact O-OG 3.5Å; S182-R184 PolarHBondContact O-N 3.22Å; S182-S185 WeakPolarHBondContact O-CB 3.49Å; S182-S185 PolarHBondContact O-N 2.97Å; S182-S185 PolarHBondContact O-OG 3.35Å; S182-M190 WeakPolarHBondContact CA-O 3.35Å
183Q97.6Very high97.5Very high134 Ų13439.9 Ų39.963%0.62622%0.216SC*.THydrogen-bonded Turntrans-62.6-21.3171.1-69.1-66.7-4.400112.7H179 V181H179-Q183 PolarHBondContact NE2-NE2 3.2Å; H179-Q183 VanDerWaalsContact O-CG 3.31Å; H179-Q183 WeakPolarHBondContact O-CG 3.31Å; H179-Q183 PolarHBondContact O-N 3.27Å; V181-Q183 VanDerWaalsContact C-N 3.35Å; V181-Q183 PolarHBondContact O-N 3.32Å
184R96.9Very high97.6Very high109 Ų10941.7 Ų41.741%0.41123%0.226SC..THydrogen-bonded Turntrans-102.422.6171.9-56.9-148.6-160.91705.1114.1V79 E80 V181 S182 A186 E187 N188V79-R184 HydrophobicContact CG2-CB 4.41Å; V79-R184 HydrophobicContact CG2-CG 4.44Å; E80-R184 IonicContact OE2-NH1 2.74Å; V181-R184 PolarHBondContact O-N 3.24Å; V181-R184 VanDerWaalsContact O-N 3.12Å; S182-R184 PolarHBondContact O-N 3.22Å; R184-A186 PolarHBondContact O-N 3.38Å; R184-A186 VanDerWaalsContact O-N 3.13Å; R184-E187 VanDerWaalsContact CD-OE2 3.24Å; R184-E187 WeakPolarHBondContact CD-OE2 3.38Å; R184-E187 IonicContact NH1-OE2 2.84Å; R184-E187 PolarHBondContact O-N 3.44Å; R184-N188 VanDerWaalsContact O-CG 3.24Å; R184-N188 PolarHBondContact O-N 3.32Å; R184-N188 PolarHBondContact O-ND2 2.81Å; R184-N188 PolarHBondContact O-OD1 2.87Å
185S97.3Very high97.6Very high46 Ų4641.7 Ų41.732%0.32223%0.226SC..Hα-helixtrans-55.5-27.9177.851.70000114.3S182 E187 N188 K189S182-S185 WeakPolarHBondContact O-CB 3.49Å; S182-S185 PolarHBondContact O-N 2.97Å; S182-S185 PolarHBondContact O-OG 3.35Å; S185-E187 VanDerWaalsContact C-N 3.32Å; S185-E187 PolarHBondContact O-N 3.48Å; S185-N188 WeakPolarHBondContact CA-OD1 3.41Å; S185-K189 WeakPolarHBondContact O-CA 3.31Å; S185-K189 PolarHBondContact O-N 2.97Å
186A97.3Very high97.6Very high81 Ų8141.9 Ų41.967%0.66923%0.227SC*.Hα-helixtrans-59.7-38.7172.500000113.1R184 K189R184-A186 PolarHBondContact O-N 3.38Å; R184-A186 VanDerWaalsContact O-N 3.13Å; A186-K189 PolarHBondContact O-NZ 3.18Å
187E96.3Very high97.6Very high97 Ų9744.1 Ų44.145%0.45324%0.243SC..Hα-helixtrans-83.4-63.5175.7-65.7162.7-166.300109.9E80 R184 S185 K189E80-E187 HydrophobicContact CB-CB 4.43Å; E80-E187 WeakPolarHBondContact CB-OE2 3.27Å; R184-E187 VanDerWaalsContact CD-OE2 3.24Å; R184-E187 WeakPolarHBondContact CD-OE2 3.38Å; R184-E187 IonicContact NH1-OE2 2.84Å; R184-E187 PolarHBondContact O-N 3.44Å; S185-E187 VanDerWaalsContact C-N 3.32Å; S185-E187 PolarHBondContact O-N 3.48Å; E187-K189 VanDerWaalsContact C-N 3.32Å; E187-K189 WeakPolarHBondContact O-CD 3.47Å; E187-K189 VanDerWaalsContact O-CE 3.27Å; E187-K189 WeakPolarHBondContact O-CE 3.47Å; E187-K189 PolarHBondContact O-N 2.89Å
188N96.9Very high97.5Very high0 Ų045.6 Ų45.60%025%0.251CS..Hα-helixtrans-82.9-5-165.568.729.7000114.2V79 E82 G83 V181 R184 S185 M190V79-N188 VanDerWaalsContact O-CB 3.27Å; V79-N188 WeakPolarHBondContact O-CB 3.48Å; V79-N188 PolarHBondContact O-ND2 3.45Å; E82-N188 CarbonylContact C-O 3.3Å; E82-N188 WeakPolarHBondContact CA-O 3.35Å; G83-N188 PolarHBondContact N-O 3.45Å; V181-N188 PolarHBondContact O-ND2 3.22Å; R184-N188 VanDerWaalsContact O-CG 3.24Å; R184-N188 PolarHBondContact O-N 3.32Å; R184-N188 PolarHBondContact O-ND2 2.81Å; R184-N188 PolarHBondContact O-OD1 2.87Å; S185-N188 WeakPolarHBondContact CA-OD1 3.41Å; N188-M190 PolarHBondContact O-N 3.17Å; N188-M190 WeakPolarHBondContact OD1-CA 3.41Å; N188-M190 WeakPolarHBondContact OD1-CB 3.46Å; N188-M190 PolarHBondContact OD1-N 3.24Å
189K97.8Very high97.4Very high103 Ų10345.7 Ų45.745%0.44825%0.251SS..  trans57.830.2179.3-38.4-55.1178-174.40113.9R86 S185 A186 E187R86-K189 PolarHBondContact NH1-O 2.87Å; S185-K189 WeakPolarHBondContact O-CA 3.31Å; S185-K189 PolarHBondContact O-N 2.97Å; A186-K189 PolarHBondContact O-NZ 3.18Å; E187-K189 VanDerWaalsContact C-N 3.32Å; E187-K189 WeakPolarHBondContact O-CD 3.47Å; E187-K189 VanDerWaalsContact O-CE 3.27Å; E187-K189 WeakPolarHBondContact O-CE 3.47Å; E187-K189 PolarHBondContact O-N 2.89Å
190M97.9Very high97.3Very high0 Ų044.3 Ų44.30%025%0.245CC..  trans-129.284.2-179.6-65.5-56.5-52.500111.3L84 R86 S182 N188 N194 L195 I198L84-M190 WeakPolarHBondContact O-CE 3.33Å; L84-M190 WeakPolarHBondContact O-CG 3.36Å; R86-M190 HydrophobicContact CB-CE 4.07Å; R86-M190 HydrophobicContact CB-SD 3.63Å; R86-M190 HydrophobicContact CG-SD 4.45Å; R86-M190 PolarHBondContact NH1-SD 3.19Å; S182-M190 WeakPolarHBondContact CA-O 3.35Å; N188-M190 PolarHBondContact O-N 3.17Å; N188-M190 WeakPolarHBondContact OD1-CA 3.41Å; N188-M190 WeakPolarHBondContact OD1-CB 3.46Å; N188-M190 PolarHBondContact OD1-N 3.24Å; M190-N194 HydrophobicContact CE-CB 3.55Å; M190-N194 HydrophobicContact SD-CB 4.22Å; M190-L195 HydrophobicContact CB-CD2 4.26Å; M190-L195 HydrophobicContact CB-CG 4.29Å; M190-L195 HydrophobicContact CE-CD2 3.8Å; M190-L195 HydrophobicContact CE-CG 4.09Å; M190-I198 HydrophobicContact CE-CD1 3.63Å
191D97.9Very high97.1Very high57 Ų5744 Ų4431%0.30524%0.241SC..  trans-70.8171.416769.3-40.1000112.3G193 N194 L195D191-G193 PolarHBondContact O-N 3.45Å; D191-G193 VanDerWaalsContact OD2-CA 3.26Å; D191-G193 WeakPolarHBondContact OD2-CA 3.4Å; D191-G193 PolarHBondContact OD2-N 3.28Å; D191-G193 VanDerWaalsContact OD2-N 3.15Å; D191-N194 PolarHBondContact O-N 3.13Å; D191-N194 WeakPolarHBondContact OD1-CB 3.48Å; D191-N194 VanDerWaalsContact OD1-CG 3.29Å; D191-N194 PolarHBondContact OD1-N 3.36Å; D191-N194 PolarHBondContact OD1-ND2 2.96Å; D191-L195 WeakPolarHBondContact O-CB 3.08Å; D191-L195 VanDerWaalsContact O-CG 3.28Å; D191-L195 WeakPolarHBondContact O-CG 3.25Å; D191-L195 PolarHBondContact O-N 2.95Å
192S98Very high97Very high9 Ų944.8 Ų44.86%0.06325%0.246CC..Hα-helixtrans-58.4-33.3173.552.80000112.6S196 E233S192-S196 WeakPolarHBondContact O-CB 3.07Å; S192-S196 PolarHBondContact O-N 3.12Å; S192-S196 PolarHBondContact O-OG 2.86Å; S192-E233 WeakPolarHBondContact CB-OE1 3.45Å; S192-E233 PolarHBondContact OG-OE1 2.89Å
193G97.8Very high96.9Very high18 Ų1844.2 Ų44.219%0.18624%0.242CC..Hα-helixtrans-53-66.4168.700000112.3D191 L195 S196 V197D191-G193 PolarHBondContact O-N 3.45Å; D191-G193 VanDerWaalsContact OD2-CA 3.26Å; D191-G193 WeakPolarHBondContact OD2-CA 3.4Å; D191-G193 PolarHBondContact OD2-N 3.28Å; D191-G193 VanDerWaalsContact OD2-N 3.15Å; G193-L195 VanDerWaalsContact C-N 3.34Å; G193-L195 PolarHBondContact O-N 3.02Å; G193-S196 PolarHBondContact O-N 2.96Å; G193-S196 PolarHBondContact O-OG 3.45Å; G193-V197 PolarHBondContact O-N 3.04Å
194N97.7Very high96.7Very high71 Ų7138 Ų3838%0.3821%0.213SC..Hα-helixtrans-60.5-40.2-179.8-78.9-72000112.8M190 D191 I198M190-N194 HydrophobicContact CE-CB 3.55Å; M190-N194 HydrophobicContact SD-CB 4.22Å; D191-N194 PolarHBondContact O-N 3.13Å; D191-N194 WeakPolarHBondContact OD1-CB 3.48Å; D191-N194 VanDerWaalsContact OD1-CG 3.29Å; D191-N194 PolarHBondContact OD1-N 3.36Å; D191-N194 PolarHBondContact OD1-ND2 2.96Å; N194-I198 VanDerWaalsContact O-CD1 3.31Å; N194-I198 WeakPolarHBondContact O-CD1 3.22Å; N194-I198 VanDerWaalsContact O-CG1 3.3Å; N194-I198 WeakPolarHBondContact O-CG1 3.44Å; N194-I198 PolarHBondContact O-N 3.13Å
195L98.3Very high96.2Very high0 Ų035.3 Ų35.30%021%0.205CC..Hα-helixtrans-61.8-43.9176.9-70.9170.8000111.9F85 L178 V181 M190 D191 G193 V197 I198 L199 I232F85-L195 HydrophobicContact CB-CD2 4.36Å; F85-L195 HydrophobicContact CD2-CD2 3.69Å; F85-L195 HydrophobicContact CG-CD2 4.36Å; L178-L195 HydrophobicContact CD2-CD1 4.28Å; L178-L195 HydrophobicContact CD2-CD2 4.2Å; V181-L195 HydrophobicContact CB-CD1 4.21Å; V181-L195 HydrophobicContact CG1-CD1 4.04Å; V181-L195 HydrophobicContact CG1-CD2 4.43Å; M190-L195 HydrophobicContact CB-CD2 4.26Å; M190-L195 HydrophobicContact CB-CG 4.29Å; M190-L195 HydrophobicContact CE-CD2 3.8Å; M190-L195 HydrophobicContact CE-CG 4.09Å; D191-L195 WeakPolarHBondContact O-CB 3.08Å; D191-L195 VanDerWaalsContact O-CG 3.28Å; D191-L195 WeakPolarHBondContact O-CG 3.25Å; D191-L195 PolarHBondContact O-N 2.95Å; G193-L195 VanDerWaalsContact C-N 3.34Å; G193-L195 PolarHBondContact O-N 3.02Å; L195-V197 PolarHBondContact O-N 3.27Å; L195-I198 PolarHBondContact O-N 3.03Å; L195-L199 HydrophobicContact CB-CD1 4.36Å; L195-L199 VanDerWaalsContact O-CB 3.32Å; L195-L199 WeakPolarHBondContact O-CB 3.34Å; L195-L199 VanDerWaalsContact O-CG 3.27Å; L195-L199 WeakPolarHBondContact O-CG 3.48Å; L195-L199 PolarHBondContact O-N 3.33Å; L195-I232 HydrophobicContact CB-CD1 3.89Å
196S97.8Very high94.7Very high4 Ų434.4 Ų34.43%0.02820%0.198CC..Hα-helixtrans-63.9-42.6-176.571.50000113.2S192 G193 I198 L199 A200 A225S192-S196 WeakPolarHBondContact O-CB 3.07Å; S192-S196 PolarHBondContact O-N 3.12Å; S192-S196 PolarHBondContact O-OG 2.86Å; G193-S196 PolarHBondContact O-N 2.96Å; G193-S196 PolarHBondContact O-OG 3.45Å; S196-I198 VanDerWaalsContact C-N 3.32Å; S196-I198 PolarHBondContact O-N 2.98Å; S196-L199 PolarHBondContact O-N 3.41Å; S196-A200 VanDerWaalsContact O-CB 3.23Å; S196-A200 WeakPolarHBondContact O-CB 3.47Å; S196-A200 PolarHBondContact O-N 2.81Å; S196-A225 WeakPolarHBondContact CB-O 3.35Å
197V96.3Very high92.9Very high95 Ų9533.5 Ų33.558%0.57620%0.197SC*.Hα-helixtrans-63.2-39.3178.3175.10000111.2G193 L195 P201 A225G193-V197 PolarHBondContact O-N 3.04Å; L195-V197 PolarHBondContact O-N 3.27Å; V197-P201 WeakPolarHBondContact O-CD 3.49Å; V197-A225 HydrophobicContact CG2-CB 3.96Å
198I96.1Very high90.9Very high37 Ų3735.7 Ų35.719%0.1921%0.212CC..Hα-helixtrans-73.5-37.3179.5-65.9165.1000111.7F85 R86 K121 M190 N194 L195 S196 N202F85-I198 HydrophobicContact CB-CG2 4.1Å; R86-I198 HydrophobicContact CB-CD1 3.69Å; R86-I198 HydrophobicContact CG-CD1 4.14Å; K121-I198 HydrophobicContact CD-CG2 3.73Å; M190-I198 HydrophobicContact CE-CD1 3.63Å; N194-I198 VanDerWaalsContact O-CD1 3.31Å; N194-I198 WeakPolarHBondContact O-CD1 3.22Å; N194-I198 VanDerWaalsContact O-CG1 3.3Å; N194-I198 WeakPolarHBondContact O-CG1 3.44Å; N194-I198 PolarHBondContact O-N 3.13Å; L195-I198 PolarHBondContact O-N 3.03Å; S196-I198 VanDerWaalsContact C-N 3.32Å; S196-I198 PolarHBondContact O-N 2.98Å; I198-N202 PolarHBondContact O-ND2 3.33Å
199L97.1Very high88.9Confident1 Ų139.7 Ų39.71%0.00525%0.253CS..Hα-helixtrans-92.5-32.2-169.4-66.3169.7000113.5F85 K121 F174 L178 L195 S196 N202 L203 V228F85-L199 HydrophobicContact CD1-CD2 3.99Å; F85-L199 HydrophobicContact CE1-CD2 4.46Å; F85-L199 HydrophobicContact CG-CD2 4.43Å; K121-L199 HydrophobicContact CD-CD2 4.45Å; K121-L199 HydrophobicContact CG-CD2 3.87Å; F174-L199 HydrophobicContact CE1-CD1 4.35Å; F174-L199 HydrophobicContact CZ-CD1 4.19Å; F174-L199 HydrophobicContact CZ-CD2 4.25Å; L178-L199 HydrophobicContact CD1-CD1 3.56Å; L178-L199 HydrophobicContact CD2-CD1 3.36Å; L178-L199 HydrophobicContact CG-CD1 4.11Å; L195-L199 HydrophobicContact CB-CD1 4.36Å; L195-L199 VanDerWaalsContact O-CB 3.32Å; L195-L199 WeakPolarHBondContact O-CB 3.34Å; L195-L199 VanDerWaalsContact O-CG 3.27Å; L195-L199 WeakPolarHBondContact O-CG 3.48Å; L195-L199 PolarHBondContact O-N 3.33Å; S196-L199 PolarHBondContact O-N 3.41Å; L199-N202 WeakPolarHBondContact O-CA 3.22Å; L199-N202 PolarHBondContact O-N 2.92Å; L199-L203 HydrophobicContact CB-CD1 4.11Å; L199-L203 HydrophobicContact CB-CG 4.5Å; L199-L203 WeakPolarHBondContact O-CG 3.12Å; L199-L203 PolarHBondContact O-N 2.87Å; L199-V228 HydrophobicContact CB-CG1 4.46Å
200A96.1Very high86.8Confident2 Ų241 Ų412%0.01727%0.27CS..Hα-helixtrans-53.2-42.6-17900000115S196 N202 L203 I204 Q224 V228S196-A200 VanDerWaalsContact O-CB 3.23Å; S196-A200 WeakPolarHBondContact O-CB 3.47Å; S196-A200 PolarHBondContact O-N 2.81Å; A200-N202 VanDerWaalsContact C-N 3.28Å; A200-N202 PolarHBondContact O-N 3.43Å; A200-L203 PolarHBondContact O-N 3.35Å; A200-I204 HydrophobicContact CB-CD1 4.28Å; A200-I204 WeakPolarHBondContact O-CB 3.36Å; A200-I204 WeakPolarHBondContact O-CG1 3.35Å; A200-I204 PolarHBondContact O-N 3.29Å; A200-Q224 HydrophobicContact CB-CB 4.26Å; A200-Q224 WeakPolarHBondContact CB-O 3.43Å; A200-V228 HydrophobicContact CB-CB 4.19Å; A200-V228 HydrophobicContact CB-CG2 3.68Å
201P93.4Very high85.1Confident48 Ų4847.6 Ų47.631%0.31230%0.301SS..Hα-helixtrans-61.6-34.4175.1-23.835.3000113.3V197 H205V197-P201 WeakPolarHBondContact O-CD 3.49Å; P201-H205 VanDerWaalsContact O-CA 3.29Å; P201-H205 WeakPolarHBondContact O-CA 3.34Å; P201-H205 PolarHBondContact O-N 3.4Å; P201-H205 VanDerWaalsContact O-N 3.08Å
202N95.1Very high83.7Confident17 Ų1753.7 Ų53.79%0.09133%0.325CS..Hα-helixtrans-80.3-31.3-179.1-59.8-81.4000112.3F124 R125 I198 L199 A200 H205F124-N202 CarbonylContact C-O 3.44Å; R125-N202 HydrophobicContact CB-CB 4.32Å; R125-N202 PolarHBondContact N-O 2.7Å; I198-N202 PolarHBondContact O-ND2 3.33Å; L199-N202 WeakPolarHBondContact O-CA 3.22Å; L199-N202 PolarHBondContact O-N 2.92Å; A200-N202 VanDerWaalsContact C-N 3.28Å; A200-N202 PolarHBondContact O-N 3.43Å; N202-H205 PolarHBondContact O-CD2 2.88Å
203L96Very high82.6Confident0 Ų059.1 Ų59.10%035%0.351CS..Hα-helixtrans-83.5-32.2179.7-63.7173.3000113.4F124 I131 L132 L171 F174 F175 L199 A200 V228F124-L203 HydrophobicContact CB-CD2 4.12Å; F124-L203 HydrophobicContact CD1-CD2 3.89Å; F124-L203 HydrophobicContact CD2-CD2 3.84Å; F124-L203 HydrophobicContact CE1-CD2 4.22Å; F124-L203 HydrophobicContact CE2-CD2 4.18Å; F124-L203 HydrophobicContact CG-CD2 3.69Å; F124-L203 HydrophobicContact CZ-CD2 4.35Å; I131-L203 HydrophobicContact CG2-CB 3.96Å; I131-L203 HydrophobicContact CG2-CD2 3.55Å; I131-L203 HydrophobicContact CG2-CG 4.38Å; I131-L203 VanDerWaalsContact CG2-O 3.31Å; I131-L203 WeakPolarHBondContact CG2-O 3.32Å; L132-L203 HydrophobicContact CD1-CB 4.25Å; L132-L203 PolarHBondContact N-O 2.74Å; L171-L203 HydrophobicContact CD2-CD2 4.27Å; F174-L203 HydrophobicContact CD1-CD2 4.21Å; F174-L203 HydrophobicContact CE1-CD1 4.42Å; F174-L203 HydrophobicContact CE1-CD2 4Å; F175-L203 HydrophobicContact CE1-CD1 4.33Å; F175-L203 HydrophobicContact CZ-CD1 4.27Å; L199-L203 HydrophobicContact CB-CD1 4.11Å; L199-L203 HydrophobicContact CB-CG 4.5Å; L199-L203 WeakPolarHBondContact O-CG 3.12Å; L199-L203 PolarHBondContact O-N 2.87Å; A200-L203 PolarHBondContact O-N 3.35Å; L203-V228 HydrophobicContact CD1-CG1 4.04Å; L203-V228 HydrophobicContact CD1-CG2 4.06Å
204I92.3Very high82Confident3 Ų361.2 Ų61.22%0.01536%0.358CS..Hα-helixtrans-106.5-12.7-172.8-54.3171.2000111.8L132 Q137 A200 Q224 V228L132-I204 HydrophobicContact CB-CG1 4.07Å; L132-I204 HydrophobicContact CD1-CD1 4.03Å; L132-I204 HydrophobicContact CD1-CG1 3.54Å; L132-I204 HydrophobicContact CG-CG1 4.41Å; Q137-I204 VanDerWaalsContact CD-CG2 3.43Å; Q137-I204 HydrophobicContact CG-CG2 3.8Å; Q137-I204 PolarHBondContact NE2-O 2.95Å; A200-I204 HydrophobicContact CB-CD1 4.28Å; A200-I204 WeakPolarHBondContact O-CB 3.36Å; A200-I204 WeakPolarHBondContact O-CG1 3.35Å; A200-I204 PolarHBondContact O-N 3.29Å; I204-Q224 HydrophobicContact CD1-CB 3.9Å; I204-Q224 HydrophobicContact CD1-CG 3.92Å; I204-Q224 HydrophobicContact CG2-CG 4.37Å; I204-Q224 VanDerWaalsContact CG2-NE2 3.29Å; I204-V228 HydrophobicContact CD1-CG2 4.22Å
205H87.1Confident81.6Confident53 Ų5360.6 Ų60.625%0.24536%0.362CS..THydrogen-bonded Turntrans52.460.2-171.4-58.8173.1000111F124 R125 L127 P130 P201 N202 G207F124-H205 PolarHBondContact O-NE2 2.84Å; R125-H205 PolarHBondContact O-NE2 2.99Å; L127-H205 PolarHBondContact O-CE1 3.4Å; P130-H205 HydrophobicContact CB-CB 4.19Å; P201-H205 VanDerWaalsContact O-CA 3.29Å; P201-H205 WeakPolarHBondContact O-CA 3.34Å; P201-H205 PolarHBondContact O-N 3.4Å; P201-H205 VanDerWaalsContact O-N 3.08Å; N202-H205 PolarHBondContact O-CD2 2.88Å; H205-G207 PolarHBondContact O-N 3.39Å
206S66.9Low81Confident26 Ų2666.2 Ų66.218%0.18239%0.392CS..  trans-54.4123.4163.7-53.30000107.8Q224S206-Q224 VanDerWaalsContact OG-CD 3.24Å; S206-Q224 PolarHBondContact OG-NE2 3.36Å; S206-Q224 PolarHBondContact OG-OE1 2.95Å
207G58.9Low80.6Confident63 Ų6367.4 Ų67.465%0.64940%0.399SS*.  trans-53.5147.4-16600000113.3H205 G209H205-G207 PolarHBondContact O-N 3.39Å; G207-G209 PolarHBondContact O-N 2.71Å
208D54Low80.2Confident142 Ų14266.5 Ų66.576%0.75939%0.389SS*.  trans-45.6124-172.8-70.9-55.3000111.8T210 E211D208-T210 HydrophobicContact CB-CG2 4.46Å; D208-T210 PolarHBondContact O-N 3.47Å; D208-T210 PolarHBondContact O-OG1 3.21Å; D208-T210 VanDerWaalsContact O-OG1 3.09Å; D208-E211 PolarHBondContact O-N 3.15Å
209G53.7Low80Confident84 Ų8470.8 Ų70.887%0.86641%0.406SS*.THydrogen-bonded Turntrans-64.524.3-172.800000116.4G207 E211G207-G209 PolarHBondContact O-N 2.71Å; G209-E211 VanDerWaalsContact C-N 3.34Å
210T55.1Low79.7Confident131 Ų13175.7 Ų75.780%0.80442%0.424SS*.THydrogen-bonded Turntrans-70.7-26.5163.662.60000112.5D208D208-T210 HydrophobicContact CB-CG2 4.46Å; D208-T210 PolarHBondContact O-N 3.47Å; D208-T210 PolarHBondContact O-OG1 3.21Å; D208-T210 VanDerWaalsContact O-OG1 3.09Å
211E61.7Low79.5Confident138 Ų13878.5 Ų78.565%0.64544%0.439SS*.SBendtrans-72.3129.5172.8-170.4170-131.300110.2D208 G209 M213D208-E211 PolarHBondContact O-N 3.15Å; G209-E211 VanDerWaalsContact C-N 3.34Å; E211-M213 PolarHBondContact O-N 2.8Å
212K68Low79.5Confident186 Ų18682.4 Ų82.481%0.80945%0.451SS*.PPolyproline II helixtrans-61.6123.1-178.3-67.2-176.9180-1790110.2N214K212-N214 PolarHBondContact O-N 2.77Å; K212-N214 VanDerWaalsContact O-N 3.12Å; K212-N214 PolarHBondContact O-ND2 3.4Å; K212-N214 VanDerWaalsContact O-ND2 3.12Å
213M76.1Confident79.5Confident123 Ų12383.7 Ų83.761%0.60646%0.457SS*.PPolyproline II helixtrans-53.1117.9178.8-174.263146.500110.3E211 T217 E218 L221E211-M213 PolarHBondContact O-N 2.8Å; M213-T217 PolarHBondContact SD-OG1 3.34Å; M213-T217 VanDerWaalsContact SD-OG1 3.33Å; M213-E218 HydrophobicContact CE-CB 3.66Å; M213-E218 HydrophobicContact CE-CG 3.79Å; M213-E218 HydrophobicContact SD-CB 4.12Å; M213-L221 HydrophobicContact CE-CD1 3.92Å; M213-L221 HydrophobicContact SD-CD1 4.13Å
214N84.8Confident79.5Confident62 Ų6283.8 Ų83.833%0.33246%0.458SS..  trans-126.5164.4178.861.777.5000109.5K212 N216 T217 E218K212-N214 PolarHBondContact O-N 2.77Å; K212-N214 VanDerWaalsContact O-N 3.12Å; K212-N214 PolarHBondContact O-ND2 3.4Å; K212-N214 VanDerWaalsContact O-ND2 3.12Å; N214-N216 PolarHBondContact O-N 3.06Å; N214-N216 WeakPolarHBondContact OD1-CB 3.48Å; N214-N216 PolarHBondContact OD1-N 2.89Å; N214-N216 VanDerWaalsContact OD1-N 3.08Å; N214-T217 PolarHBondContact N-OG1 3.17Å; N214-T217 WeakPolarHBondContact ND2-CG2 3.31Å; N214-T217 PolarHBondContact O-N 3.11Å; N214-T217 PolarHBondContact O-OG1 2.84Å; N214-T217 PolarHBondContact OD1-N 3.26Å; N214-E218 PolarHBondContact O-N 2.96Å
215A88.2Confident79.7Confident57 Ų5784.2 Ų84.247%0.47146%0.462SS..Hα-helixtrans-58.1-21.5-175.800000113.8K219A215-K219 WeakPolarHBondContact O-CB 3.28Å; A215-K219 VanDerWaalsContact O-CD 3.26Å; A215-K219 WeakPolarHBondContact O-CD 3.18Å; A215-K219 WeakPolarHBondContact O-CG 3.05Å; A215-K219 PolarHBondContact O-N 3.12Å
216N87.6Confident80.2Confident119 Ų11983.3 Ų83.364%0.63646%0.464SS*.Hα-helixtrans-86.8-36.4177.6-60.2-33.5000112.3N214 R220N214-N216 PolarHBondContact O-N 3.06Å; N214-N216 WeakPolarHBondContact OD1-CB 3.48Å; N214-N216 PolarHBondContact OD1-N 2.89Å; N214-N216 VanDerWaalsContact OD1-N 3.08Å; N216-R220 WeakPolarHBondContact O-CB 3.26Å; N216-R220 PolarHBondContact O-N 2.9Å
217T87.6Confident81.6Confident28 Ų2882.2 Ų82.217%0.17246%0.456CS..Hα-helixtrans-67.2-38.817154.50000111.2M213 N214 R220 L221M213-T217 PolarHBondContact SD-OG1 3.34Å; M213-T217 VanDerWaalsContact SD-OG1 3.33Å; N214-T217 PolarHBondContact N-OG1 3.17Å; N214-T217 WeakPolarHBondContact ND2-CG2 3.31Å; N214-T217 PolarHBondContact O-N 3.11Å; N214-T217 PolarHBondContact O-OG1 2.84Å; N214-T217 PolarHBondContact OD1-N 3.26Å; T217-R220 PolarHBondContact O-N 3.05Å; T217-L221 WeakPolarHBondContact O-CB 3.44Å; T217-L221 VanDerWaalsContact O-CG 3.31Å; T217-L221 WeakPolarHBondContact O-CG 3.39Å; T217-L221 PolarHBondContact O-N 3.5Å
218E89.2Confident83.5Confident76 Ų7679.2 Ų79.236%0.35543%0.425SS..Hα-helixtrans-61.8-49.4173.8-170.3-162.1142.900111.7M213 N214 R220 L221 K222M213-E218 HydrophobicContact CE-CB 3.66Å; M213-E218 HydrophobicContact CE-CG 3.79Å; M213-E218 HydrophobicContact SD-CB 4.12Å; N214-E218 PolarHBondContact O-N 2.96Å; E218-R220 VanDerWaalsContact C-N 3.31Å; E218-R220 PolarHBondContact O-N 3.02Å; E218-L221 PolarHBondContact O-N 3.24Å; E218-K222 HydrophobicContact CG-CD 4.37Å; E218-K222 PolarHBondContact O-N 2.95Å; E218-K222 VanDerWaalsContact OE1-CE 3.28Å; E218-K222 WeakPolarHBondContact OE1-CE 3.39Å; E218-K222 IonicContact OE1-NZ 3.98Å; E218-K222 PolarHBondContact OE1-NZ 3.17Å
219K91Very high85.5Confident127 Ų12775.8 Ų75.855%0.55240%0.404SS*.Hα-helixtrans-57.9-43174.2-75.6168.5-171.7177.90111.6A215 L221 K222 L223A215-K219 WeakPolarHBondContact O-CB 3.28Å; A215-K219 VanDerWaalsContact O-CD 3.26Å; A215-K219 WeakPolarHBondContact O-CD 3.18Å; A215-K219 WeakPolarHBondContact O-CG 3.05Å; A215-K219 PolarHBondContact O-N 3.12Å; K219-L221 PolarHBondContact O-N 3.08Å; K219-K222 PolarHBondContact O-N 3.46Å; K219-L223 VanDerWaalsContact O-CG 3.27Å; K219-L223 WeakPolarHBondContact O-CG 3.42Å; K219-L223 PolarHBondContact O-N 2.8Å
220R90.9Very high87.6Confident104 Ų10472.2 Ų72.239%0.39237%0.366SS..Hα-helixtrans-60.6-44.4175.4-176.9178.7176.6173.31.2111.9L141 N216 T217 E218 L223 Q224L141-R220 HydrophobicContact CD1-CG 4.07Å; L141-R220 HydrophobicContact CD2-CG 4.1Å; N216-R220 WeakPolarHBondContact O-CB 3.26Å; N216-R220 PolarHBondContact O-N 2.9Å; T217-R220 PolarHBondContact O-N 3.05Å; E218-R220 VanDerWaalsContact C-N 3.31Å; E218-R220 PolarHBondContact O-N 3.02Å; R220-L223 PolarHBondContact O-N 3.44Å; R220-Q224 HydrophobicContact CG-CG 4.45Å; R220-Q224 WeakPolarHBondContact O-CB 3.26Å; R220-Q224 VanDerWaalsContact O-CG 3.24Å; R220-Q224 WeakPolarHBondContact O-CG 3.39Å; R220-Q224 PolarHBondContact O-N 3.07Å
221L92.3Very high89.7Confident62 Ų6266 Ų6633%0.32533%0.328SS..Hα-helixtrans-65-41.2178.1-74.7164000111.9M213 T217 E218 K219 Q224 A225M213-L221 HydrophobicContact CE-CD1 3.92Å; M213-L221 HydrophobicContact SD-CD1 4.13Å; T217-L221 WeakPolarHBondContact O-CB 3.44Å; T217-L221 VanDerWaalsContact O-CG 3.31Å; T217-L221 WeakPolarHBondContact O-CG 3.39Å; T217-L221 PolarHBondContact O-N 3.5Å; E218-L221 PolarHBondContact O-N 3.24Å; K219-L221 PolarHBondContact O-N 3.08Å; L221-Q224 WeakPolarHBondContact O-CB 3.09Å; L221-Q224 PolarHBondContact O-N 3.37Å; L221-A225 PolarHBondContact O-N 2.82Å
222K93.6Very high91.4Very high130 Ų13059.4 Ų59.457%0.56530%0.297SS*.Hα-helixtrans-61.9-44173.8-75.4175.5168.9174.20112.1E218 K219 A225 A226E218-K222 HydrophobicContact CG-CD 4.37Å; E218-K222 PolarHBondContact O-N 2.95Å; E218-K222 VanDerWaalsContact OE1-CE 3.28Å; E218-K222 WeakPolarHBondContact OE1-CE 3.39Å; E218-K222 IonicContact OE1-NZ 3.98Å; E218-K222 PolarHBondContact OE1-NZ 3.17Å; K219-K222 PolarHBondContact O-N 3.46Å; K222-A225 PolarHBondContact O-N 2.95Å; K222-A226 PolarHBondContact O-N 3.22Å
223L95.2Very high92.8Very high43 Ų4354.8 Ų54.823%0.22528%0.278CS..Hα-helixtrans-65-38.1173.7-65.1168.4000111.9L141 Q144 Q145 K219 R220 A226 I227L141-L223 HydrophobicContact CD2-CB 3.65Å; L141-L223 HydrophobicContact CD2-CD1 4.17Å; Q144-L223 HydrophobicContact CB-CB 4.43Å; Q144-L223 HydrophobicContact CB-CD2 3.59Å; Q145-L223 HydrophobicContact CG-CD1 4.49Å; K219-L223 VanDerWaalsContact O-CG 3.27Å; K219-L223 WeakPolarHBondContact O-CG 3.42Å; K219-L223 PolarHBondContact O-N 2.8Å; R220-L223 PolarHBondContact O-N 3.44Å; L223-A226 PolarHBondContact O-N 3.17Å; L223-I227 WeakPolarHBondContact O-CD1 3.42Å; L223-I227 WeakPolarHBondContact O-CG1 3.42Å; L223-I227 PolarHBondContact O-N 2.81Å; L223-I227 VanDerWaalsContact O-N 3.07Å
224Q95.1Very high93.7Very high3 Ų351 Ų511%0.01426%0.26CS..Hα-helixtrans-63-41.4174.7-78.5174.3-40.500112.5L141 A200 I204 S206 R220 L221 V228L141-Q224 HydrophobicContact CD2-CG 4.21Å; A200-Q224 HydrophobicContact CB-CB 4.26Å; A200-Q224 WeakPolarHBondContact CB-O 3.43Å; I204-Q224 HydrophobicContact CD1-CB 3.9Å; I204-Q224 HydrophobicContact CD1-CG 3.92Å; I204-Q224 HydrophobicContact CG2-CG 4.37Å; I204-Q224 VanDerWaalsContact CG2-NE2 3.29Å; S206-Q224 VanDerWaalsContact OG-CD 3.24Å; S206-Q224 PolarHBondContact OG-NE2 3.36Å; S206-Q224 PolarHBondContact OG-OE1 2.95Å; R220-Q224 HydrophobicContact CG-CG 4.45Å; R220-Q224 WeakPolarHBondContact O-CB 3.26Å; R220-Q224 VanDerWaalsContact O-CG 3.24Å; R220-Q224 WeakPolarHBondContact O-CG 3.39Å; R220-Q224 PolarHBondContact O-N 3.07Å; L221-Q224 WeakPolarHBondContact O-CB 3.09Å; L221-Q224 PolarHBondContact O-N 3.37Å; Q224-V228 PolarHBondContact O-N 2.79Å
225A96.7Very high94.2Very high12 Ų1248 Ų4810%0.09925%0.245CC..Hα-helixtrans-62.9-46.6170.900000111.4S196 V197 L221 K222 I227 V228 H229S196-A225 WeakPolarHBondContact CB-O 3.35Å; V197-A225 HydrophobicContact CG2-CB 3.96Å; L221-A225 PolarHBondContact O-N 2.82Å; K222-A225 PolarHBondContact O-N 2.95Å; A225-I227 VanDerWaalsContact C-N 3.29Å; A225-I227 PolarHBondContact O-N 3.38Å; A225-V228 PolarHBondContact O-N 2.94Å; A225-H229 WeakPolarHBondContact O-CB 3.49Å; A225-H229 PolarHBondContact O-N 3.49Å
226A97.2Very high94.4Very high34 Ų3452.5 Ų52.528%0.28126%0.256SS..Hα-helixtrans-58.5-35179.300000113.9Q144 K222 L223 C230Q144-A226 HydrophobicContact CG-CB 4.33Å; K222-A226 PolarHBondContact O-N 3.22Å; L223-A226 PolarHBondContact O-N 3.17Å; A226-C230 WeakPolarHBondContact O-CB 3.28Å; A226-C230 PolarHBondContact O-N 3.32Å
227I97Very high94.6Very high2 Ų251.1 Ų51.11%0.0125%0.248CC..Hα-helixtrans-61.3-47.4172.5-67.1149.7000110.8F140 Q144 L223 A225 C230 Y231F140-I227 HydrophobicContact CB-CD1 3.44Å; F140-I227 VanDerWaalsContact CB-CD1 3.44Å; F140-I227 HydrophobicContact CB-CG1 4.02Å; F140-I227 HydrophobicContact CB-CG2 4.44Å; F140-I227 HydrophobicContact CD1-CG2 4.18Å; F140-I227 HydrophobicContact CG-CD1 4.47Å; F140-I227 HydrophobicContact CG-CG2 4.43Å; Q144-I227 HydrophobicContact CG-CD1 4.36Å; Q144-I227 HydrophobicContact CG-CG1 3.61Å; L223-I227 WeakPolarHBondContact O-CD1 3.42Å; L223-I227 WeakPolarHBondContact O-CG1 3.42Å; L223-I227 PolarHBondContact O-N 2.81Å; L223-I227 VanDerWaalsContact O-N 3.07Å; A225-I227 VanDerWaalsContact C-N 3.29Å; A225-I227 PolarHBondContact O-N 3.38Å; I227-C230 PolarHBondContact O-N 3.33Å; I227-Y231 HydrophobicContact CG2-CD2 4.05Å; I227-Y231 HydrophobicContact CG2-CE2 3.67Å; I227-Y231 VanDerWaalsContact O-CD2 3.31Å; I227-Y231 WeakPolarHBondContact O-CD2 3.34Å; I227-Y231 PolarHBondContact O-N 2.89Å
228V97.8Very high95Very high0 Ų049.8 Ų49.80%024%0.24CC..Hα-helixtrans-71.9-38.2-177.8174.90000111.2F175 L199 A200 L203 I204 Q224 A225 Y231 I232F175-V228 HydrophobicContact CE1-CG1 4.09Å; L199-V228 HydrophobicContact CB-CG1 4.46Å; A200-V228 HydrophobicContact CB-CB 4.19Å; A200-V228 HydrophobicContact CB-CG2 3.68Å; L203-V228 HydrophobicContact CD1-CG1 4.04Å; L203-V228 HydrophobicContact CD1-CG2 4.06Å; I204-V228 HydrophobicContact CD1-CG2 4.22Å; Q224-V228 PolarHBondContact O-N 2.79Å; A225-V228 PolarHBondContact O-N 2.94Å; V228-Y231 PolarHBondContact O-N 2.68Å; V228-I232 HydrophobicContact CG1-CD1 4.08Å; V228-I232 WeakPolarHBondContact O-CG1 3.42Å; V228-I232 PolarHBondContact O-N 3.37Å
229H97.9Very high95.1Very high71 Ų7147.2 Ų47.233%0.32923%0.234SC..Hα-helixtrans-56.5-50.6171.3-177-63000111.1A225 Y231 I232 E233A225-H229 WeakPolarHBondContact O-CB 3.49Å; A225-H229 PolarHBondContact O-N 3.49Å; H229-Y231 PolarHBondContact O-N 2.93Å; H229-I232 PolarHBondContact O-N 3.44Å; H229-I232 VanDerWaalsContact O-N 3.12Å; H229-E233 WeakPolarHBondContact O-CG 3.39Å; H229-E233 PolarHBondContact O-N 2.53Å
230C97.3Very high95.1Very high9 Ų944.6 Ų44.66%0.06123%0.228CC..Hα-helixtrans-56.2-37.9178.2-173.50000112.1T156 A226 I227 N234T156-C230 HydrophobicContact CG2-CB 3.93Å; A226-C230 WeakPolarHBondContact O-CB 3.28Å; A226-C230 PolarHBondContact O-N 3.32Å; I227-C230 PolarHBondContact O-N 3.33Å; C230-N234 VanDerWaalsContact O-CB 3.31Å; C230-N234 WeakPolarHBondContact O-CB 3.47Å; C230-N234 PolarHBondContact O-N 3.09Å; C230-N234 PolarHBondContact O-ND2 3.22Å
231Y97.8Very high95.1Very high0 Ų040 Ų400%021%0.211CC..Hα-helixtrans-76.6-29.6176.9-69.1-41.5000114.9F140 T156 M157 F175 I227 V228 H229 A235 F238F140-Y231 HydrophobicContact CE1-CE2 4.35Å; F140-Y231 VanDerWaalsContact CE1-OH 3.29Å; F140-Y231 WeakPolarHBondContact CE1-OH 3.44Å; T156-Y231 HydrophobicContact CG2-CD1 3.98Å; T156-Y231 HydrophobicContact CG2-CE1 3.42Å; T156-Y231 VanDerWaalsContact CG2-CE1 3.42Å; T156-Y231 HydrophobicContact CG2-CE2 4.06Å; T156-Y231 VanDerWaalsContact CG2-CZ 3.45Å; T156-Y231 VanDerWaalsContact O-CE1 3.32Å; T156-Y231 WeakPolarHBondContact O-CE1 3.48Å; T156-Y231 PolarHBondContact O-OH 2.97Å; M157-Y231 HydrophobicContact CE-CD1 4.21Å; M157-Y231 HydrophobicContact CE-CE1 4.46Å; M157-Y231 HydrophobicContact SD-CD1 3.73Å; M157-Y231 HydrophobicContact SD-CE1 3.85Å; F175-Y231 HydrophobicContact CD2-CG 4.35Å; F175-Y231 AromaticContact CE2-CD2 3.84Å; F175-Y231 HydrophobicContact CE2-CD2 3.84Å; F175-Y231 AromaticContact CE2-CG 3.9Å; F175-Y231 HydrophobicContact CE2-CG 3.9Å; F175-Y231 AromaticContact CZ-CD2 3.88Å; F175-Y231 HydrophobicContact CZ-CD2 3.88Å; F175-Y231 HydrophobicContact CZ-CG 4.13Å; I227-Y231 HydrophobicContact CG2-CD2 4.05Å; I227-Y231 HydrophobicContact CG2-CE2 3.67Å; I227-Y231 VanDerWaalsContact O-CD2 3.31Å; I227-Y231 WeakPolarHBondContact O-CD2 3.34Å; I227-Y231 PolarHBondContact O-N 2.89Å; V228-Y231 PolarHBondContact O-N 2.68Å; H229-Y231 PolarHBondContact O-N 2.93Å; Y231-A235 WeakPolarHBondContact O-CA 3.33Å; Y231-A235 PolarHBondContact O-N 3.15Å; Y231-A235 VanDerWaalsContact O-N 3.17Å; Y231-F238 AromaticContact CD1-CD2 3.45Å; Y231-F238 HydrophobicContact CD1-CD2 3.45Å; Y231-F238 VanDerWaalsContact CD1-CD2 3.45Å; Y231-F238 AromaticContact CD1-CE2 3.52Å; Y231-F238 HydrophobicContact CD1-CE2 3.52Å; Y231-F238 AromaticContact CD2-CE2 3.96Å; Y231-F238 HydrophobicContact CD2-CE2 3.96Å; Y231-F238 AromaticContact CE1-CD2 3.88Å; Y231-F238 HydrophobicContact CE1-CD2 3.88Å; Y231-F238 AromaticContact CE1-CE2 3.69Å; Y231-F238 HydrophobicContact CE1-CE2 3.69Å; Y231-F238 HydrophobicContact CE2-CE2 4.11Å; Y231-F238 AromaticContact CG-CD2 3.87Å; Y231-F238 HydrophobicContact CG-CD2 3.87Å; Y231-F238 AromaticContact CG-CE2 3.68Å; Y231-F238 HydrophobicContact CG-CE2 3.68Å; Y231-F238 AromaticContact CZ-CE2 3.99Å
232I98Very high95.1Very high0 Ų039 Ų390%021%0.209CC..Hα-helixtrans-69.1-45.9171.9-64.2165.9000109.7F175 L178 H179 L195 V228 H229 N234F175-I232 HydrophobicContact CD1-CG1 3.88Å; F175-I232 HydrophobicContact CE1-CG1 4.24Å; L178-I232 HydrophobicContact CB-CD1 4.3Å; L178-I232 HydrophobicContact CB-CG1 3.94Å; L178-I232 HydrophobicContact CB-CG2 4.27Å; L178-I232 HydrophobicContact CD1-CD1 4.13Å; L178-I232 HydrophobicContact CD1-CG1 4.04Å; H179-I232 PolarHBondContact ND1-O 3.48Å; L195-I232 HydrophobicContact CB-CD1 3.89Å; V228-I232 HydrophobicContact CG1-CD1 4.08Å; V228-I232 WeakPolarHBondContact O-CG1 3.42Å; V228-I232 PolarHBondContact O-N 3.37Å; H229-I232 PolarHBondContact O-N 3.44Å; H229-I232 VanDerWaalsContact O-N 3.12Å; I232-N234 PolarHBondContact O-N 2.76Å
233E97.2Very high94.9Very high88 Ų8840.2 Ų40.241%0.41122%0.216SC..Hα-helixtrans-62.5-39.7177.3-70-55.9132.800112.8S192 H229S192-E233 WeakPolarHBondContact CB-OE1 3.45Å; S192-E233 PolarHBondContact OG-OE1 2.89Å; H229-E233 WeakPolarHBondContact O-CG 3.39Å; H229-E233 PolarHBondContact O-N 2.53Å
234N96.3Very high94.7Very high43 Ų4342.6 Ų42.623%0.2323%0.225CC..THydrogen-bonded Turntrans-105.528.1-173.6-63.6-99.7000113M157 C230 I232 Q236 N237 F238M157-N234 HydrophobicContact CE-CB 3.72Å; M157-N234 VanDerWaalsContact CE-O 3.26Å; M157-N234 WeakPolarHBondContact CE-O 3.46Å; M157-N234 HydrophobicContact CG-CB 4.31Å; M157-N234 HydrophobicContact SD-CB 3.58Å; M157-N234 VanDerWaalsContact SD-CB 3.58Å; C230-N234 VanDerWaalsContact O-CB 3.31Å; C230-N234 WeakPolarHBondContact O-CB 3.47Å; C230-N234 PolarHBondContact O-N 3.09Å; C230-N234 PolarHBondContact O-ND2 3.22Å; I232-N234 PolarHBondContact O-N 2.76Å; N234-Q236 VanDerWaalsContact C-N 3.33Å; N234-Q236 PolarHBondContact O-N 3.29Å; N234-N237 PolarHBondContact O-N 3.04Å; N234-F238 PolarHBondContact O-N 2.83Å
235A95.6Very high94.4Very high1 Ų143 Ų431%0.00823%0.227CC..G310 helixtrans-52.1-45.5-172.100000113.6F175 H179 Y231 N237 F238F175-A235 HydrophobicContact CB-CB 4.07Å; H179-A235 HydrophobicContact CB-CB 3.91Å; Y231-A235 WeakPolarHBondContact O-CA 3.33Å; Y231-A235 PolarHBondContact O-N 3.15Å; Y231-A235 VanDerWaalsContact O-N 3.17Å; A235-N237 PolarHBondContact O-N 3.49Å; A235-N237 VanDerWaalsContact O-N 3.08Å; A235-F238 WeakPolarHBondContact O-CB 3.31Å; A235-F238 PolarHBondContact O-N 3.23Å
236Q92.4Very high93.9Very high151 Ų15147.1 Ų47.171%0.70625%0.245SC*.G310 helixtrans-58.6-24.5178.3-59.3177.88.800114.1N234N234-Q236 VanDerWaalsContact C-N 3.33Å; N234-Q236 PolarHBondContact O-N 3.29Å
237N91.8Very high93.4Very high89 Ų8951.9 Ų51.948%0.47626%0.261SS..G310 helixtrans-97.46.1178.7-69.9-50.8000112.4M157 N234 A235 G239 V240M157-N237 VanDerWaalsContact CE-C 3.42Å; M157-N237 HydrophobicContact CE-CB 3.93Å; M157-N237 VanDerWaalsContact CE-O 3.32Å; M157-N237 WeakPolarHBondContact CE-O 3.36Å; N234-N237 PolarHBondContact O-N 3.04Å; A235-N237 PolarHBondContact O-N 3.49Å; A235-N237 VanDerWaalsContact O-N 3.08Å; N237-G239 PolarHBondContact O-N 3.36Å; N237-V240 PolarHBondContact O-N 2.72Å
238F94.4Very high92.8Very high1 Ų156.8 Ų56.80%0.00428%0.282CS..THydrogen-bonded Turntrans-71.9124.2-173.5-170.8-86.9000112.4M157 L163 T168 L171 H172 F175 Y231 N234 A235 V240M157-F238 HydrophobicContact CE-CB 4.26Å; L163-F238 HydrophobicContact CD1-CE1 4.35Å; L163-F238 HydrophobicContact CD1-CE2 4.44Å; L163-F238 HydrophobicContact CD1-CZ 3.61Å; T168-F238 HydrophobicContact CG2-CD1 4.32Å; T168-F238 HydrophobicContact CG2-CE1 3.98Å; L171-F238 HydrophobicContact CB-CE1 3.57Å; L171-F238 HydrophobicContact CB-CE2 4.42Å; L171-F238 HydrophobicContact CB-CZ 3.47Å; L171-F238 VanDerWaalsContact CB-CZ 3.47Å; L171-F238 HydrophobicContact CD1-CZ 4.08Å; L171-F238 HydrophobicContact CG-CZ 4.41Å; H172-F238 HydrophobicContact CB-CD1 3.86Å; H172-F238 HydrophobicContact CB-CE1 4.49Å; H172-F238 PolarHBondContact CD2-O 3.32Å; F175-F238 AromaticContact CD2-CD2 3.69Å; F175-F238 HydrophobicContact CD2-CD2 3.69Å; F175-F238 AromaticContact CD2-CE2 3.55Å; F175-F238 HydrophobicContact CD2-CE2 3.55Å; F175-F238 HydrophobicContact CD2-CG 4.26Å; F175-F238 HydrophobicContact CD2-CZ 4Å; F175-F238 HydrophobicContact CE2-CD2 4.11Å; F175-F238 AromaticContact CE2-CE2 3.51Å; F175-F238 HydrophobicContact CE2-CE2 3.51Å; F175-F238 AromaticContact CE2-CZ 3.93Å; F175-F238 HydrophobicContact CE2-CZ 3.93Å; Y231-F238 AromaticContact CD1-CD2 3.45Å; Y231-F238 HydrophobicContact CD1-CD2 3.45Å; Y231-F238 VanDerWaalsContact CD1-CD2 3.45Å; Y231-F238 AromaticContact CD1-CE2 3.52Å; Y231-F238 HydrophobicContact CD1-CE2 3.52Å; Y231-F238 AromaticContact CD2-CE2 3.96Å; Y231-F238 HydrophobicContact CD2-CE2 3.96Å; Y231-F238 AromaticContact CE1-CD2 3.88Å; Y231-F238 HydrophobicContact CE1-CD2 3.88Å; Y231-F238 AromaticContact CE1-CE2 3.69Å; Y231-F238 HydrophobicContact CE1-CE2 3.69Å; Y231-F238 HydrophobicContact CE2-CE2 4.11Å; Y231-F238 AromaticContact CG-CD2 3.87Å; Y231-F238 HydrophobicContact CG-CD2 3.87Å; Y231-F238 AromaticContact CG-CE2 3.68Å; Y231-F238 HydrophobicContact CG-CE2 3.68Å; Y231-F238 AromaticContact CZ-CE2 3.99Å; N234-F238 PolarHBondContact O-N 2.83Å; A235-F238 WeakPolarHBondContact O-CB 3.31Å; A235-F238 PolarHBondContact O-N 3.23Å; F238-V240 PolarHBondContact O-N 2.91Å
239G91.4Very high92.2Very high21 Ų2157.1 Ų57.122%0.21628%0.284CS..THydrogen-bonded Turntrans74-2.1-175.300000114.6S160 N237S160-G239 WeakPolarHBondContact OG-CA 3.47Å; S160-G239 PolarHBondContact OG-N 3.45Å; N237-G239 PolarHBondContact O-N 3.36Å
240V91.4Very high91.5Very high72 Ų7256.8 Ų56.844%0.43629%0.288SS..PPolyproline II helixtrans-81.9128.3177.7-1750000109.8C161 N237 F238C161-V240 VanDerWaalsContact SG-C 3.52Å; C161-V240 PolarHBondContact SG-O 2.67Å; N237-V240 PolarHBondContact O-N 2.72Å; F238-V240 PolarHBondContact O-N 2.91Å
241L91.3Very high90.7Very high8 Ų859.7 Ų59.74%0.04231%0.313CS..PPolyproline II helixtrans-81.1127.9176-173.473.7000109.5M9 A13 L158 L245 Q246 V249M9-L241 HydrophobicContact CB-CD2 3.94Å; M9-L241 HydrophobicContact CG-CD2 3.98Å; M9-L241 HydrophobicContact SD-CB 4.24Å; M9-L241 HydrophobicContact SD-CD2 4.19Å; A13-L241 HydrophobicContact CB-CD1 4.02Å; L158-L241 HydrophobicContact CD2-CD1 4.29Å; L241-L245 HydrophobicContact CD1-CB 4.01Å; L241-L245 HydrophobicContact CD1-CD1 3.93Å; L241-L245 HydrophobicContact CD2-CB 3.93Å; L241-L245 HydrophobicContact CG-CB 3.86Å; L241-Q246 HydrophobicContact CD2-CB 4.4Å; L241-V249 HydrophobicContact CD2-CG2 3.89Å
242P92.4Very high89.8Confident42 Ų4261.3 Ų61.327%0.27332%0.321SS..PPolyproline II helixtrans-55141.1176.9-28.836.6000113.2L158 F244 L245 Q246L158-P242 HydrophobicContact CD2-CG 3.98Å; P242-F244 VanDerWaalsContact C-N 3.32Å; P242-F244 HydrophobicContact CB-CD1 3.73Å; P242-F244 HydrophobicContact CB-CE1 3.47Å; P242-F244 VanDerWaalsContact CB-CE1 3.47Å; P242-F244 HydrophobicContact CB-CZ 4.4Å; P242-F244 HydrophobicContact CG-CE1 4.27Å; P242-F244 PolarHBondContact O-N 2.97Å; P242-L245 WeakPolarHBondContact O-CA 3.18Å; P242-L245 WeakPolarHBondContact O-CB 3.38Å; P242-L245 PolarHBondContact O-N 3.31Å; P242-Q246 PolarHBondContact O-N 3.46Å
243Q89.7Confident88.8Confident154 Ų15464.2 Ų64.272%0.7234%0.335SS*.Hα-helixtrans-50.8-46.4-172.4-67.2172.5-10.300112.9L245 Q246 E247Q243-L245 PolarHBondContact O-N 3.19Å; Q243-Q246 WeakPolarHBondContact O-CA 3.36Å; Q243-Q246 WeakPolarHBondContact O-CB 3.34Å; Q243-Q246 PolarHBondContact O-N 2.78Å; Q243-E247 WeakPolarHBondContact O-CG 3.41Å; Q243-E247 PolarHBondContact O-N 3.47Å
244F89.6Confident87.8Confident94 Ų9462.5 Ų62.541%0.41234%0.341SS..Hα-helixtrans-62.6-14.3178.578.9-88.6000114.6H16 P242 K248H16-F244 AromaticContact CD2-CE2 3.98Å; H16-F244 AromaticContact CE1-CE2 3.96Å; H16-F244 AromaticContact CE1-CZ 3.72Å; H16-F244 AromaticContact NE2-CE2 3.48Å; H16-F244 WeakPolarHBondContact NE2-CE2 3.38Å; H16-F244 AromaticContact NE2-CZ 3.73Å; P242-F244 VanDerWaalsContact C-N 3.32Å; P242-F244 HydrophobicContact CB-CD1 3.73Å; P242-F244 HydrophobicContact CB-CE1 3.47Å; P242-F244 VanDerWaalsContact CB-CE1 3.47Å; P242-F244 HydrophobicContact CB-CZ 4.4Å; P242-F244 HydrophobicContact CG-CE1 4.27Å; P242-F244 PolarHBondContact O-N 2.97Å; F244-K248 WeakPolarHBondContact O-CD 3.22Å; F244-K248 PolarHBondContact O-NZ 2.94Å
245L88.5Confident86.5Confident10 Ų1063.9 Ų63.95%0.05235%0.353CS..Hα-helixtrans-97.4-34167.9-64.2-176.5000111.7H16 L158 L241 P242 Q243 E247 K248 V249H16-L245 HydrophobicContact CB-CD1 3.79Å; H16-L245 HydrophobicContact CB-CD2 4.18Å; L158-L245 HydrophobicContact CD2-CD1 3.57Å; L241-L245 HydrophobicContact CD1-CB 4.01Å; L241-L245 HydrophobicContact CD1-CD1 3.93Å; L241-L245 HydrophobicContact CD2-CB 3.93Å; L241-L245 HydrophobicContact CG-CB 3.86Å; P242-L245 WeakPolarHBondContact O-CA 3.18Å; P242-L245 WeakPolarHBondContact O-CB 3.38Å; P242-L245 PolarHBondContact O-N 3.31Å; Q243-L245 PolarHBondContact O-N 3.19Å; L245-E247 VanDerWaalsContact C-N 3.34Å; L245-E247 PolarHBondContact O-N 3.18Å; L245-K248 WeakPolarHBondContact O-CB 3.5Å; L245-K248 PolarHBondContact O-N 2.84Å; L245-V249 PolarHBondContact O-N 3.14Å
246Q87Confident84.5Confident100 Ų10071.4 Ų71.447%0.46739%0.388SS..Hα-helixtrans-59.3-42.1174.9-165.7178.18.200111.9L241 P242 Q243 K248 V249 P250L241-Q246 HydrophobicContact CD2-CB 4.4Å; P242-Q246 PolarHBondContact O-N 3.46Å; Q243-Q246 WeakPolarHBondContact O-CA 3.36Å; Q243-Q246 WeakPolarHBondContact O-CB 3.34Å; Q243-Q246 PolarHBondContact O-N 2.78Å; Q246-K248 PolarHBondContact O-N 3Å; Q246-K248 VanDerWaalsContact O-N 3.16Å; Q246-V249 VanDerWaalsContact O-CB 3.31Å; Q246-V249 WeakPolarHBondContact O-CB 3.42Å; Q246-V249 PolarHBondContact O-N 3.05Å; Q246-P250 WeakPolarHBondContact O-CD 3.13Å
247E87.3Confident82.2Confident133 Ų13370.4 Ų70.462%0.62140%0.395SS*.THydrogen-bonded Turntrans-54.6-30.5171.1-70.6166.4-178.800113.8Q243 L245Q243-E247 WeakPolarHBondContact O-CG 3.41Å; Q243-E247 PolarHBondContact O-N 3.47Å; L245-E247 VanDerWaalsContact C-N 3.34Å; L245-E247 PolarHBondContact O-N 3.18Å
248K84.5Confident80.1Confident105 Ų10569.5 Ų69.546%0.45741%0.406SS..Hα-helixtrans-84.6-13.3-178.9-61.7175.5175.661.50112F244 L245 Q246 M252F244-K248 WeakPolarHBondContact O-CD 3.22Å; F244-K248 PolarHBondContact O-NZ 2.94Å; L245-K248 WeakPolarHBondContact O-CB 3.5Å; L245-K248 PolarHBondContact O-N 2.84Å; Q246-K248 PolarHBondContact O-N 3Å; Q246-K248 VanDerWaalsContact O-N 3.16Å; K248-M252 WeakPolarHBondContact O-CB 3.2Å; K248-M252 VanDerWaalsContact O-CG 3.3Å; K248-M252 WeakPolarHBondContact O-CG 3.28Å; K248-M252 PolarHBondContact O-N 2.93Å
249V83.9Confident77.4Confident8 Ų873.9 Ų73.95%0.04844%0.443CS..Hα-helixtrans-66.8-47.1-179.3172.80000112.6V8 M9 L241 L245 Q246 A251 M252 M253V8-V249 HydrophobicContact CB-CG1 4.31Å; V8-V249 HydrophobicContact CG1-CB 4.46Å; V8-V249 HydrophobicContact CG1-CG1 3.91Å; M9-V249 HydrophobicContact CG-CG1 4.31Å; M9-V249 HydrophobicContact CG-CG2 3.96Å; L241-V249 HydrophobicContact CD2-CG2 3.89Å; L245-V249 PolarHBondContact O-N 3.14Å; Q246-V249 VanDerWaalsContact O-CB 3.31Å; Q246-V249 WeakPolarHBondContact O-CB 3.42Å; Q246-V249 PolarHBondContact O-N 3.05Å; V249-A251 VanDerWaalsContact C-N 3.34Å; V249-A251 PolarHBondContact O-N 3.31Å; V249-M252 CarbonylContact O-C 3.56Å; V249-M252 PolarHBondContact O-N 3.23Å; V249-M252 VanDerWaalsContact O-N 3.16Å; V249-M253 HydrophobicContact CG1-CG 4.23Å; V249-M253 WeakPolarHBondContact O-CG 3.33Å; V249-M253 PolarHBondContact O-N 3.22Å
250P83.9Confident74.6Confident64 Ų6484.4 Ų84.442%0.41648%0.476SS..Hα-helixtrans-55.5-45.5173.8-27.535.1000113.2Q246 M252 M253 G254 C255Q246-P250 WeakPolarHBondContact O-CD 3.13Å; P250-M252 PolarHBondContact O-N 3.49Å; P250-M253 WeakPolarHBondContact O-CB 3.18Å; P250-M253 PolarHBondContact O-N 3.49Å; P250-M253 VanDerWaalsContact O-N 3.09Å; P250-G254 PolarHBondContact O-N 2.96Å; P250-G254 VanDerWaalsContact O-N 3.16Å; P250-C255 HydrophobicContact CB-CB 4.18Å; P250-C255 WeakPolarHBondContact O-CB 3.5Å; P250-C255 PolarHBondContact O-N 3.29Å
251A80.5Confident71.5Confident69 Ų6986.3 Ų86.357%0.5749%0.492SS*.Hα-helixtrans-62.8-40176.500000112.1V249 M253 G254V249-A251 VanDerWaalsContact C-N 3.34Å; V249-A251 PolarHBondContact O-N 3.31Å; A251-M253 VanDerWaalsContact C-N 3.3Å; A251-M253 PolarHBondContact O-N 3Å; A251-G254 PolarHBondContact O-N 3.15Å
252M78.4Confident68.8Low35 Ų3591.7 Ų91.717%0.17253%0.528CS..Hα-helixtrans-69.7-23.2173.7-72.7177.56800113.8V8 L11 A12 K248 V249 P250 G254V8-M252 HydrophobicContact CG1-CB 3.56Å; V8-M252 HydrophobicContact CG1-CE 4.25Å; L11-M252 HydrophobicContact CB-CE 4.42Å; L11-M252 HydrophobicContact CD2-CE 4.07Å; L11-M252 HydrophobicContact CG-CE 4.06Å; A12-M252 HydrophobicContact CB-CE 4.34Å; A12-M252 HydrophobicContact CB-SD 3.99Å; K248-M252 WeakPolarHBondContact O-CB 3.2Å; K248-M252 VanDerWaalsContact O-CG 3.3Å; K248-M252 WeakPolarHBondContact O-CG 3.28Å; K248-M252 PolarHBondContact O-N 2.93Å; V249-M252 CarbonylContact O-C 3.56Å; V249-M252 PolarHBondContact O-N 3.23Å; V249-M252 VanDerWaalsContact O-N 3.16Å; P250-M252 PolarHBondContact O-N 3.49Å; M252-G254 VanDerWaalsContact C-N 3.32Å
253M77.9Confident66.1Low60 Ų6095.2 Ų95.230%0.29655%0.554SS.*Hα-helixtrans-80.8-10.9172-64.2-119.4-74.600113M4 E5 V8 V249 P250 A251M4-M253 HydrophobicContact CG-SD 4.15Å; E5-M253 HydrophobicContact CB-CE 4.17Å; E5-M253 HydrophobicContact CB-SD 4.35Å; E5-M253 HydrophobicContact CG-CE 4.32Å; V8-M253 HydrophobicContact CB-CG 4.29Å; V8-M253 HydrophobicContact CB-SD 4.47Å; V8-M253 HydrophobicContact CG1-CG 4.15Å; V8-M253 HydrophobicContact CG2-CG 4.07Å; V8-M253 HydrophobicContact CG2-SD 4.09Å; V249-M253 HydrophobicContact CG1-CG 4.23Å; V249-M253 WeakPolarHBondContact O-CG 3.33Å; V249-M253 PolarHBondContact O-N 3.22Å; P250-M253 WeakPolarHBondContact O-CB 3.18Å; P250-M253 PolarHBondContact O-N 3.49Å; P250-M253 VanDerWaalsContact O-N 3.09Å; A251-M253 VanDerWaalsContact C-N 3.3Å; A251-M253 PolarHBondContact O-N 3Å
254G76.6Confident63.2Low52 Ų5295.2 Ų95.254%0.53655%0.553SS.*THydrogen-bonded Turntrans77.922.6-173.400000113.6P250 A251 M252 E256P250-G254 PolarHBondContact O-N 2.96Å; P250-G254 VanDerWaalsContact O-N 3.16Å; A251-G254 PolarHBondContact O-N 3.15Å; M252-G254 VanDerWaalsContact C-N 3.32Å; G254-E256 PolarHBondContact O-N 2.99Å
255C67.7Low60.4Low72 Ų72100 Ų10049%0.48658%0.577SS.*  trans-83105170.7-60.30000108.7P250P250-C255 HydrophobicContact CB-CB 4.18Å; P250-C255 WeakPolarHBondContact O-CB 3.5Å; P250-C255 PolarHBondContact O-N 3.29Å
256E53.3Low57.7Low160 Ų160106.9 Ų106.975%0.74861%0.609SS**  trans-64.3132.2178-66.1-67.1155.200111.1G254 G258G254-E256 PolarHBondContact O-N 2.99Å; E256-G258 PolarHBondContact O-N 3.29Å
257P45.4Very low55.2Low130 Ų130109.8 Ų109.884%0.84463%0.627SS**THydrogen-bonded Turntrans-7487.2178.531-34.4000110.4
258G47.3Very low52.7Low69 Ų69111.7 Ų111.771%0.71164%0.636SS**THydrogen-bonded Turntrans173.4-15.5-179.400000115.3E256 R260E256-G258 PolarHBondContact O-N 3.29Å; G258-R260 PolarHBondContact O-N 2.77Å
259A37.5Very low50.3Low93 Ų93115 Ų11577%0.76965%0.653SS**  trans-71.694.5171.600000110.7S261A259-S261 PolarHBondContact O-N 3.26Å
260R32.3Very low47.7Very low242 Ų242120 Ų12091%0.91368%0.683SS**  trans-55.1129.2164.7-76-176.9173-178-2.8109.1G258 P262G258-R260 PolarHBondContact O-N 2.77Å; R260-P262 WeakPolarHBondContact O-CD 3.17Å
261S26.9Very low45.5Very low112 Ų112124.9 Ų124.978%0.78371%0.706SS**  trans-61.2123.4171.2-48.80000110.2A259 S263A259-S261 PolarHBondContact O-N 3.26Å; S261-S263 PolarHBondContact O-N 2.92Å
262P35Very low43.3Very low122 Ų122129 Ų12979%0.79272%0.718SS**  trans-72111.8158.929.8-29.7000107.7R260 Q264R260-P262 WeakPolarHBondContact O-CD 3.17Å; P262-Q264 PolarHBondContact O-N 3.29Å
263S34.7Very low41.2Very low116 Ų116135 Ų13581%0.81175%0.75SS**  trans-74.2113.6166.7510000108.9S261S261-S263 PolarHBondContact O-N 2.92Å
264Q29.5Very low39Very low153 Ų153137.6 Ų137.672%0.71577%0.774SS**  trans-152.6109.7167.8-159147.96.400112.4P262 E266P262-Q264 PolarHBondContact O-N 3.29Å; Q264-E266 HydrophobicContact CG-CB 4.33Å
265E30.5Very low37.4Very low195 Ų195138.7 Ų138.791%0.91179%0.786SS**  trans-74.7112.3136.1-65.4-178.812600106.3
266E32.8Very low35.9Very low154 Ų154142.2 Ų142.272%0.7280%0.798SS**  trans-177.1135.2138.9-109.3-172.3147.300113.1Q264Q264-E266 HydrophobicContact CG-CB 4.33Å
267L32.8Very low35Very low162 Ų162143.6 Ų143.685%0.84880%0.802SS**  trans59.2139.9146.9-125.764.6000122.5
268E35Very low34.8Very low172 Ų172147.6 Ų147.680%0.80481%0.806SS**  trans-72157.7158.6-51.3-168160.700108.7
269E33.8Very low34.3Very low175 Ų175154.1 Ų154.182%0.81882%0.815SS**  -166.1-174.371.3-77.3-163143.200113
270V29.6Very low34.3Very low113 Ų113157.1 Ų157.169%0.68582%0.818SS**  trans70.8100.8162.4-165.50000117.5L272V270-L272 HydrophobicContact CG1-CD1 4.37Å; V270-L272 HydrophobicContact CG1-CG 4.08Å
271N38.7Very low34.7Very low167 Ų167157.3 Ų157.389%0.89382%0.819SS**  trans-78.7121.5156.7-84.3-99.6000110.4
272L33Very low35.6Very low156 Ų156162.4 Ų162.482%0.81782%0.821SS**  trans-135.5148.8158.4-79.7-179.5000112.3V270V270-L272 HydrophobicContact CG1-CD1 4.37Å; V270-L272 HydrophobicContact CG1-CG 4.08Å
273N35.3Very low36.2Very low160 Ų160159.9 Ų159.986%0.85681%0.806SS**  trans-79.4138-164-59-72000114.2
274S31.6Very low37.1Very low115 Ų115159.1 Ų159.180%0.80479%0.788SS**  -163146.7125.658.30000111.1
275G42.3Very low38.1Very low75 Ų75153.6 Ų153.677%0.77377%0.772SS**  trans-119.3121.4-17100000114.1
276I36.9Very low39Very low146 Ų146149.4 Ų149.475%0.74976%0.756SS**  trans-121.5109.4166.1-71.988.2000111
277K34.5Very low40.3Very low189 Ų189146.1 Ų146.182%0.82274%0.742SS**  trans45.8105.2148.5-60.6173-175.3171.70117.8K279K277-K279 PolarHBondContact O-N 3.25Å
278K41.9Very low41.3Very low214 Ų214139.7 Ų139.793%0.9371%0.709SS**  trans-46.4107.7157.9-68.3174.8178.3173.10110.6N280K278-N280 PolarHBondContact O-N 3.46Å
279K36.6Very low42Very low206 Ų206135.4 Ų135.490%0.89670%0.697SS**  trans-65.3131163.8-84.8178.7177.2170.50108.3K277 R281K277-K279 PolarHBondContact O-N 3.25Å; K279-R281 PolarHBondContact O-N 3.04Å
280N36.6Very low42.6Very low156 Ų156129.2 Ų129.283%0.83468%0.681SS**  trans-58.4133.5-179.6-115.5-0.4000110.6K278 R282K278-N280 PolarHBondContact O-N 3.46Å; N280-R282 PolarHBondContact O-N 3.24Å; N280-R282 VanDerWaalsContact O-N 3.09Å
281R41.7Very low43.7Very low246 Ų246125.8 Ų125.893%0.92866%0.664SS**  trans-58.9114.3165.8-77.8-178.2170.4178.1-3.8108K279K279-R281 PolarHBondContact O-N 3.04Å
282R45.5Very low44.3Very low219 Ų219120.8 Ų120.883%0.82664%0.637SS**  trans-68.6155.3165.2-61.5-176.6-175.9179.91.6108.6N280N280-R282 PolarHBondContact O-N 3.24Å; N280-R282 VanDerWaalsContact O-N 3.09Å
283S46.5Very low45.1Very low69 Ų69120.2 Ų120.248%0.48364%0.635SS.*  trans-63.5141.8175-173.50000109.6G285 D286 M287S283-G285 PolarHBondContact O-N 2.82Å; S283-G285 PolarHBondContact OG-N 2.68Å; S283-D286 WeakPolarHBondContact CB-OD2 3.27Å; S283-D286 PolarHBondContact N-OD2 3.07Å; S283-D286 PolarHBondContact O-N 3.12Å; S283-M287 PolarHBondContact O-N 2.95Å
284F53.5Low46Very low100 Ų100121 Ų12144%0.43963%0.63SS.*Hα-helixtrans-61.1-25.2176.1-151.8-90.3000111.5M4 V8 M287 V288M4-F284 HydrophobicContact CE-CE2 4.44Å; V8-F284 HydrophobicContact CG2-CZ 4.4Å; F284-M287 HydrophobicContact CE2-CE 4.26Å; F284-V288 WeakPolarHBondContact O-CG2 3.27Å
285G50.2Low46.9Very low37 Ų37121.6 Ų121.638%0.38162%0.623SS.*Hα-helixtrans-69-44171.600000113.6S283 M287 V288 C289S283-G285 PolarHBondContact O-N 2.82Å; S283-G285 PolarHBondContact OG-N 2.68Å; G285-M287 VanDerWaalsContact C-N 3.3Å; G285-M287 PolarHBondContact O-N 3.28Å; G285-V288 PolarHBondContact O-N 2.78Å; G285-C289 WeakPolarHBondContact O-CB 3.24Å; G285-C289 PolarHBondContact O-N 3.32Å; G285-C289 PolarHBondContact O-SG 3.45Å
286D50.6Low47.1Very low107 Ų107127.6 Ų127.657%0.57263%0.628SS**Hα-helixtrans-65.3-36.9-176.3-53.4-27.7000111.6S283 G290S283-D286 WeakPolarHBondContact CB-OD2 3.27Å; S283-D286 PolarHBondContact N-OD2 3.07Å; S283-D286 PolarHBondContact O-N 3.12Å; D286-G290 PolarHBondContact O-N 3.34Å
287M58.8Low47.4Very low85 Ų85126.1 Ų126.142%0.41963%0.626SS.*Hα-helixtrans-63.9-46.3178.9-168.2169.480.200111.6S283 F284 G285 A291S283-M287 PolarHBondContact O-N 2.95Å; F284-M287 HydrophobicContact CE2-CE 4.26Å; G285-M287 VanDerWaalsContact C-N 3.3Å; G285-M287 PolarHBondContact O-N 3.28Å; M287-A291 PolarHBondContact O-N 3.17Å
288V54.2Low47.6Very low27 Ų27125.2 Ų125.216%0.16463%0.63CS.*Hα-helixtrans-68.4-48178176.40000110.8L11 F284 G285 G290 A291 L292L11-V288 HydrophobicContact CD2-CG1 4.14Å; L11-V288 HydrophobicContact CD2-CG2 3.79Å; F284-V288 WeakPolarHBondContact O-CG2 3.27Å; G285-V288 PolarHBondContact O-N 2.78Å; V288-G290 VanDerWaalsContact C-N 3.28Å; V288-G290 PolarHBondContact O-N 3.1Å; V288-A291 PolarHBondContact O-N 3.38Å; V288-L292 HydrophobicContact CG1-CD1 4.07Å; V288-L292 HydrophobicContact CG1-CG 4.48Å; V288-L292 WeakPolarHBondContact O-CG 3.36Å; V288-L292 PolarHBondContact O-N 2.73Å
289C50.1Low47.4Very low81 Ų81126.5 Ų126.555%0.54763%0.629SS.*Hα-helixtrans-62.7-32.7179.9-71.80000113.1G285G285-C289 WeakPolarHBondContact O-CB 3.24Å; G285-C289 PolarHBondContact O-N 3.32Å; G285-C289 PolarHBondContact O-SG 3.45Å
290G46.3Very low47.3Very low46 Ų46122.9 Ų122.947%0.47463%0.625SS.*Hα-helixtrans-65.8-35.817600000114.1D286 V288D286-G290 PolarHBondContact O-N 3.34Å; V288-G290 VanDerWaalsContact C-N 3.28Å; V288-G290 PolarHBondContact O-N 3.1Å
291A53.4Low47.3Very low40 Ų40121.3 Ų121.333%0.33162%0.623SS.*Hα-helixtrans-72.5-43.417800000112.2M287 V288 N293 K294M287-A291 PolarHBondContact O-N 3.17Å; V288-A291 PolarHBondContact O-N 3.38Å; A291-N293 VanDerWaalsContact C-N 3.29Å; A291-N293 PolarHBondContact O-N 3.27Å; A291-K294 WeakPolarHBondContact O-CB 3.5Å; A291-K294 PolarHBondContact O-N 3.13Å
292L51Low47.1Very low62 Ų62115.4 Ų115.433%0.32561%0.614SS.*Hα-helixtrans-67.2-25.3-171.8-63.2-177.7000114.3V288 K294 I295V288-L292 HydrophobicContact CG1-CD1 4.07Å; V288-L292 HydrophobicContact CG1-CG 4.48Å; V288-L292 WeakPolarHBondContact O-CG 3.36Å; V288-L292 PolarHBondContact O-N 2.73Å; L292-K294 PolarHBondContact O-N 3.27Å; L292-I295 PolarHBondContact O-N 2.97Å
293N48.9Very low46.4Very low145 Ų145113.1 Ų113.178%0.77562%0.618SS**THydrogen-bonded Turntrans-71.7-11.6174.2-77.1-8.6000113.9A291A291-N293 VanDerWaalsContact C-N 3.29Å; A291-N293 PolarHBondContact O-N 3.27Å
294K53.9Low45.6Very low176 Ų176117.6 Ų117.677%0.76564%0.635SS**THydrogen-bonded Turntrans-88-14.5176.8-70.2-168.8171.7-1710114.4A291 L292 K296A291-K294 WeakPolarHBondContact O-CB 3.5Å; A291-K294 PolarHBondContact O-N 3.13Å; L292-K294 PolarHBondContact O-N 3.27Å; K294-K296 VanDerWaalsContact C-N 3.35Å; K294-K296 PolarHBondContact O-N 2.92Å
295I51.4Low44.4Very low127 Ų127118 Ų11865%0.65165%0.651SS**  trans-100.537.5-170.1-38.7-178.3000111.4L292L292-I295 PolarHBondContact O-N 2.97Å
296K46.8Very low43.4Very low201 Ų201124.7 Ų124.787%0.87467%0.672SS**  trans-119.986.5170.9-107.1-166.8173.3-170.50109.9K294K294-K296 VanDerWaalsContact C-N 3.35Å; K294-K296 PolarHBondContact O-N 2.92Å
297T43Very low43.1Very low115 Ų115125.1 Ų125.171%0.70668%0.68SS**  trans-128.584.4-176.549.40000111.5
298N39Very low41.7Very low171 Ų171130.7 Ų130.791%0.91471%0.705SS**  trans-91.188.7154.2-81.1-3.5000107.7
299R37Very low40.6Very low240 Ų240132.9 Ų132.991%0.90673%0.734SS**  trans-160.1120.6165.3-115.5174.1-173.8-177.40.3110.4
300T35.3Very low39.8Very low131 Ų131137.2 Ų137.280%0.80475%0.75SS**PPolyproline II helixtrans-75.4134.8-177.5-33.30000111.2
301P36.2Very low39Very low123 Ų123140.4 Ų140.480%0.79976%0.76SS**PPolyproline II helixtrans-95.2119.2164.533.6-26.8000110.5
302T36.9Very low37.9Very low122 Ų122147.4 Ų147.475%0.74878%0.784SS**PPolyproline II helixtrans-98.8130.1163.146.60000109.4
303N30.8Very low36.9Very low170 Ų170149.6 Ų149.691%0.90980%0.804SS**  trans-161.5144.1147.8-100.9-24.3000110.1
304I30.3Very low36Very low163 Ų163147.7 Ų147.784%0.83680%0.803SS**  trans-119.7139.7176.2-68.4173.4000107.1
305S28.7Very low34.9Very low110 Ų110145.7 Ų145.777%0.76981%0.805SS**  trans-78.5143-177.3-50.70000112.7
306Q29.5Very low34.2Very low177 Ų177145.5 Ų145.583%0.82781%0.81SS**  trans-141.1148158.2-75.4-61.5-26.500109
307P43.1Very low34.3Very low115 Ų115141.7 Ų141.775%0.74781%0.806SS**  trans-90.9167.2-177.936.8-34.6000113.5
308E30.4Very low33.8Very low202 Ų202141.4 Ų141.494%0.94480%0.804SS**  trans-81.7152.9173.3-63.3-173.2137.800112.7
309G30.7Very low33.6Very low73 Ų73141.2 Ų141.275%0.75380%0.801SS**  trans-164.338.1-167.300000119.6
310L32.9Very low33.5Very low172 Ų172134.1 Ų134.190%0.90179%0.793SS**  trans74.8164.7155.8-15371.5000119.7
311V30.6Very low33.8Very low113 Ų113134 Ų13469%0.68579%0.793SS**  trans99.998.4157.3-1660000120.4
312F29.6Very low34.3Very low187 Ų187133.6 Ų133.682%0.8279%0.79SS**  trans48.3111.6144.8-61.3-48.4000126.6
313S29.3Very low34.1Very low108 Ų108132.7 Ų132.776%0.75579%0.789SS**  71.5136.2110.4-57.80000125.9
314S30Very low34.3Very low106 Ų106128.8 Ų128.874%0.74178%0.775SS**  trans73.7111.8144.9-157.80000119.2
315T32.1Very low34.4Very low133 Ų133129.3 Ų129.382%0.81677%0.771SS**  -170171.386.325.50000112.2
316T36.2Very low34.9Very low124 Ų124134.5 Ų134.576%0.76177%0.774SS**  trans-137.7137.2-179.6-390000111.8V318T316-V318 HydrophobicContact CG2-CG2 4.45Å
317P49.8Very low35.1Very low121 Ų121135.4 Ų135.479%0.78678%0.775SS**  -129.7151.2122.46.715.2000111.3
318V31.6Very low34.6Very low109 Ų109137.7 Ų137.766%0.66178%0.78SS**  cis107.111924167.60000112.7T316T316-V318 HydrophobicContact CG2-CG2 4.45Å
319I34.9Very low35.4Very low167 Ų167133.2 Ų133.286%0.85677%0.768SS**  trans70.7143.6168-70.2164.5000115.2
320A34.4Very low35.5Very low90 Ų90137.5 Ų137.574%0.74477%0.773SS**  cis-134.4179.410.600000114.2
321T41.3Very low35.4Very low129 Ų129137.2 Ų137.279%0.79177%0.767SS**  trans-110.2176.2167.564.80000111
322P46.8Very low36Very low115 Ų115137 Ų13775%0.74777%0.769SS**  -149.6122.199.835.6-17000117.7
323S33.5Very low35.8Very low102 Ų102137.9 Ų137.971%0.71377%0.766SS**  trans65.5143.713084.40000124.4
324S33.6Very low35.9Very low89 Ų89139 Ų13962%0.62276%0.763SS**  trans78.2124.2135.4-175.70000119.9
325K34.4Very low35.8Very low174 Ų174139.7 Ų139.776%0.75777%0.768SS**  cis-158.1142.2-1.1-106.1160.6-158.4164.80110.7
326R37.2Very low35.8Very low219 Ų219143.6 Ų143.683%0.82678%0.775SS**  trans13.8138.5138.4-81.2176.2-98.2171.1-8.3118.3
327K34.3Very low35.5Very low196 Ų196141.1 Ų141.185%0.85277%0.774SS**  cis-15316140.1-68.6-176.9179.9-178.50115.2
328L32.9Very low34.5Very low162 Ų162145 Ų14585%0.84878%0.779SS**  trans-112.9-175.2153.1-67.9169.9000108.1
329P48.3Very low34.7Very low108 Ų108144.1 Ų144.170%0.70178%0.778SS**  cis-124.5-180-26.726-4.5000112.3
330L32.6Very low34.6Very low163 Ų163143.2 Ų143.285%0.85378%0.775SS**  -178.4138.2121.6-119.974.6000112.5
331E30.6Very low35Very low167 Ų167148.3 Ų148.378%0.7878%0.78SS**  trans-115.1171161.4-91.6-81.5150.300106.6
332P42.1Very low34.7Very low109 Ų109150.3 Ų150.371%0.70878%0.778SS**  cis-137.3-179.58.136.5-16.2000117.5
333R26.8Very low34.3Very low205 Ų205155.2 Ų155.277%0.77478%0.781SS**  114128.2127.7-162.8168-171.6-165.34.1119.8
334N29.6Very low34.4Very low130 Ų130162.2 Ų162.270%0.69579%0.792SS**  trans63.9102.8160-69.60.9000119.6
335S28.2Very low34.3Very low121 Ų121161.5 Ų161.585%0.84679%0.792SS**  -178.2172.698.850.40000113.2
336F32.7Very low34.3Very low215 Ų215160.5 Ų160.594%0.94379%0.793SS**  trans-83.7137.5-161.7-73.9-105000115.7
337G29.4Very low34.1Very low73 Ų73159.1 Ų159.175%0.75379%0.793SS**  80.2101.5119.400000119.6
338F30Very low34.1Very low201 Ų201158.6 Ų158.688%0.88279%0.791SS**  trans-54.6137.7161.1-64.1-81.7000111.4
339S35.1Very low34.2Very low92 Ų92158.4 Ų158.464%0.64379%0.791SS**  64124.957.6-171.50000111.7
340N32.4Very low33.8Very low148 Ų148161.9 Ų161.979%0.79180%0.802SS**  cis-156.4165.6-5.1-130.3-57.3000111.8
341K43.3Very low33.7Very low196 Ų196157.1 Ų157.185%0.85279%0.792SS**  trans-147.6138.5164.5-172.2173.3-175.6173.50110.6
342K35.4Very low33.7Very low171 Ų171159.5 Ų159.574%0.74380%0.8SS**  trans99.7121.9161.4-163.5176.4-178.7-178.60117
343R37.7Very low33.3Very low218 Ų218162.7 Ų162.782%0.82381%0.806SS**  trans69.1134.4157.2-76.6173.5173.2-172.1-5.7120
344R36.1Very low33.6Very low250 Ų250161.3 Ų161.394%0.94381%0.813SS**  -135.4164.9123.2-147.3172.6-71.9-154.11.4108.4
345A31.7Very low33.6Very low74 Ų74162.8 Ų162.861%0.61282%0.82SS**  trans-160.3155.2-173.300000112.9
346I33.4Very low34.4Very low152 Ų152162.3 Ų162.378%0.77981%0.814SS**  trans74.8134.4156.9-63.9159.3000118.5
347K32.9Very low34.4Very low191 Ų191157 Ų15783%0.8380%0.804SS**  trans70.3150.9163.5-86.9174.6178.5177.80117.3
348K35.7Very low34.4Very low185 Ų185158.7 Ų158.780%0.80480%0.804SS**  cis-128.9167.6-1.5-68.2-172.7-178.3175.40111.1
349N35.2Very low34.5Very low158 Ų158156.6 Ų156.685%0.84580%0.801SS**  trans-72.2139.6158.9-59.3-25.5000110.6
350L39Very low34.5Very low181 Ų181160.6 Ų160.695%0.94881%0.807SS**  trans-142.2147.8143.8-79178.5000106.3
351G30.3Very low34.4Very low62 Ų62160.4 Ų160.464%0.63981%0.806SS**  trans-137151166.100000108.7
352F30.1Very low33.8Very low217 Ų217154.1 Ų154.195%0.95280%0.797SS**  trans-158.9162.3152.4-99.5-65.2000108.3
353E34.7Very low33.6Very low177 Ų177152.3 Ų152.383%0.82780%0.801SS**  trans-78161.5-176.3-54.917412800111.8
354L32.2Very low33.4Very low176 Ų176146.5 Ų146.592%0.92179%0.794SS**  trans-168.8145.1133-101.7164.1000110.2
355L31.1Very low33.4Very low160 Ų160141 Ų14184%0.83879%0.788SS**  trans-100.1-167177.9-59.9168.1000108.9
356P45Very low34.4Very low111 Ų111143.9 Ų143.972%0.72180%0.8SS**  cis-134.9-164.5-931.6-7.7000114.5
357S32.3Very low34.2Very low104 Ų104140 Ų14073%0.72780%0.798SS**  trans80.5127.1162.873.90000118.5
358S29.4Very low34.1Very low109 Ų109137.1 Ų137.176%0.76280%0.802SS**  cis94.6112.88.889.50000118.5
359L32.2Very low33.7Very low156 Ų156132.6 Ų132.682%0.81780%0.799SS**  trans-149.3130.1152.1-72.3-177.8000111.2
360F34.8Very low33.4Very low176 Ų176130.5 Ų130.577%0.77280%0.795SS**  trans28140.3146.4-59.2-100.3000120.7
361N30.2Very low33.1Very low144 Ų144127.6 Ų127.677%0.7779%0.79SS**  cis-148.9155.64.6-107.6-24000108.4
362G30.4Very low33Very low65 Ų65128.9 Ų128.967%0.6780%0.795SS**  92122.863.300000109.5
363T31.8Very low33Very low133 Ų133125 Ų12582%0.81679%0.794SS**  cis-152.3154.135.344.60000115.9
364S32.8Very low32.6Very low96 Ų96119.8 Ų119.867%0.67179%0.788SS**  trans31.5123152.1550000122.8
365T36.1Very low32.6Very low135 Ų135119.3 Ų119.383%0.82879%0.786SS**  68.4153.461.661.80000116.1
366P52.7Low32.6Very low134 Ų134119.5 Ų119.587%0.8779%0.787SS**  cis-108.7-161.20.943.7-33.8000112.9
367G28.8Very low31.9Very low71 Ų71121.4 Ų121.473%0.73279%0.791SS**  cis146.1165.7-13.400000114.7
368S31.7Very low32.2Very low129 Ų129121.3 Ų121.390%0.90279%0.79SS**  trans75.5136170.1-156.60000118.8
369A27.4Very low32.6Very low91 Ų91120.4 Ų120.475%0.75278%0.784SS**  cis-159.9177.1-13.200000114
370C29.2Very low32.9Very low113 Ų113120 Ų12076%0.76478%0.778SS**  trans-65163.3-163.4-48.80000122
371S31.8Very low32.8Very low121 Ų121117.3 Ų117.385%0.84677%0.772SS**  trans68.4168.5140.9-65.70000121
372A28.5Very low32.8Very low89 Ų89115.7 Ų115.774%0.73677%0.767SS**  cis-172.7157.8-39.400000111.9
373S29.6Very low32.7Very low134 Ų134121.5 Ų121.594%0.93777%0.774SS**  trans74.8166.1159-151.30000121.1
374G27.5Very low32.5Very low68 Ų68120.2 Ų120.270%0.70177%0.771SS**  trans95.7115.7177.800000114.8
375L32Very low33.4Very low166 Ų166121.2 Ų121.287%0.86978%0.775SS**  cis108.8143.816.5-164.872.1000113.4
376L30.2Very low33Very low164 Ų164119.8 Ų119.886%0.85978%0.777SS**  trans95.6161.3173.8-55.1-179.1000118.2
377D29.6Very low31.9Very low151 Ų151116.7 Ų116.781%0.80777%0.769SS**  trans-158.9172.4-138.3-177.932.7000112.7
378S38.9Very low32.1Very low102 Ų102125.4 Ų125.471%0.71378%0.78SS**  trans69.3153.4173-87.80000117.6
379S39.1Very low32Very low91 Ų91124 Ų12464%0.63677%0.77SS**  cis-155.4-161-11.254.20000108.5
380Q37.8Very low32.2Very low146 Ų146128.7 Ų128.768%0.68277%0.773SS**  cis-164.61716.2-140.1173.2109.600109.5
381N32Very low32.1Very low121 Ų121135 Ų13565%0.64778%0.781SS**  trans52.9138.1151.9-62.7-17.1000120.8
382T30.4Very low32.2Very low110 Ų110137.4 Ų137.468%0.67578%0.779SS**  cis-164-174.46.96.80000108
383F28.1Very low32.8Very low187 Ų187138.1 Ų138.182%0.8278%0.776SS**  cis-153.3-1566.3-131.5-38.7000112
384S28.5Very low32.8Very low105 Ų105136.5 Ų136.573%0.73477%0.765SS**  trans-163.3-172.1175.6-73.90000107.4
385P51.3Low32.9Very low118 Ų118139 Ų13977%0.76677%0.767SS**  cis-147.4-175.68.945.2-25.2000118.6
386A27.9Very low32.9Very low105 Ų105136.4 Ų136.487%0.86876%0.763SS**  trans61.2153.9146.600000122.7
387G28.8Very low33.1Very low68 Ų68133.9 Ų133.970%0.70177%0.765SS**  cis159.6157.5-16.100000117.2
388R34.9Very low33.3Very low254 Ų254138.4 Ų138.496%0.95877%0.771SS**  trans79.4157169.2-50-179.9176.1-175.6-1.1116.1
389S29.3Very low33Very low99 Ų99145.7 Ų145.769%0.69278%0.783SS**  cis-153143.512.4-159.20000116.7
390K30.6Very low32.8Very low190 Ų190151 Ų15183%0.82680%0.795SS**  trans25.1134.6149.9-65179.9176.7-179.10123.3
391R27.7Very low32.3Very low247 Ų247149.6 Ų149.693%0.93280%0.801SS**  -160.7154.4103.8-104177.9-170.5-171.23.7113.4
392Q33.5Very low32.3Very low170 Ų170153.8 Ų153.879%0.79481%0.813SS**  trans-163.5154.1-177.8-92.8-69.7-14.800105.2
393P40.3Very low32.4Very low104 Ų104160.1 Ų160.168%0.67583%0.825SS**  -164.4169.172.142.8-21000120.7
394S30.3Very low32.4Very low101 Ų101159.4 Ų159.471%0.70682%0.822SS**  trans62.7165.5142.569.90000120.2
395T30.7Very low32.7Very low121 Ų121158.6 Ų158.674%0.74282%0.816SS**  cis-137.3158.71.149.20000109.8
396S31.8Very low32.4Very low111 Ų111159.8 Ų159.878%0.77681%0.811SS**  cis92.394.313.379.10000119
397A33.2Very low33.2Very low111 Ų111164.6 Ų164.692%0.91781%0.806SS**  trans-151.8166167.900000113.5
398R34Very low33.5Very low246 Ų246166 Ų16693%0.92880%0.795SS**  trans-158.8133-157.4178.8-166.9-168.9-142.810.9115.3
399R32.7Very low33.3Very low254 Ų254161 Ų16196%0.95879%0.785SS**  trans-167.5172.2154.8-112.1171.3-172.3-167.31.6113.5
400K34Very low33.4Very low204 Ų204160.7 Ų160.789%0.88778%0.779SS**  trans-118.6160.8-177.4-80.3-174.5174.7-177.60112.4
401S27.8Very low33.3Very low116 Ų116158 Ų15881%0.81177%0.774SS**  trans75.6107.9154.5-166.40000120.5
402K33.4Very low33.6Very low208 Ų208155.7 Ų155.790%0.90477%0.765SS**  -166.7178120.2-113.7177.8-180179.30112.4
403R32.1Very low33.5Very low243 Ų243152.7 Ų152.792%0.91776%0.758SS**  trans-73.5161-167.6-148.7173.8-171.2170.81.6113.1S405R403-S405 PolarHBondContact O-N 2.99Å
404F27.3Very low33.5Very low173 Ų173155.2 Ų155.276%0.75976%0.761SS**  trans-72.8110.7-170-96.2-102.3000115.7H408F404-H408 AromaticContact CD1-CE1 3.71Å; F404-H408 AromaticContact CD1-NE2 3.95Å
405S34.5Very low33.7Very low87 Ų87156 Ų15661%0.60877%0.767SS**  trans-171.1144.6158.647.40000107.4R403R403-S405 PolarHBondContact O-N 2.99Å
406H45.7Very low33.8Very low143 Ų143153.3 Ų153.366%0.66276%0.763SS**SBendcis-151.8159.4-6.5-90.3-14.2000106.3H408H406-H408 AromaticContact CE1-CD2 3.64Å; H406-H408 AromaticContact CE1-NE2 3.64Å
407R44.3Very low34.1Very low206 Ų206160.2 Ų160.278%0.77777%0.772SS**SBendcis-158144.9-10.2-105.6164.8-159-168.25.8106.3
408H35Very low34.1Very low98 Ų98159.5 Ų159.545%0.45477%0.766SS.*  -173.2141.3-52.8-95.9-30.9000104.4F404 H406F404-H408 AromaticContact CD1-CE1 3.71Å; F404-H408 AromaticContact CD1-NE2 3.95Å; H406-H408 AromaticContact CE1-CD2 3.64Å; H406-H408 AromaticContact CE1-NE2 3.64Å
409I30.9Very low34.2Very low148 Ų148150.9 Ų150.976%0.75975%0.753SS**  cis-149.3128.531.3-100.4132.7000106.6
410V31.6Very low34.3Very low94 Ų94144.2 Ų144.257%0.5775%0.745SS**  62.2132.480.9166.50000112.2
411N29.5Very low34.2Very low134 Ų134144 Ų14472%0.71774%0.744SS**  cis-160.7153.5-15.1-101-16.3000105.2
412R32.4Very low35.1Very low198 Ų198144.1 Ų144.175%0.74775%0.745SS**  76137.653.3-153.9-142.7156.797.311.3114.7
413V32.5Very low35.7Very low106 Ų106140.2 Ų140.264%0.64274%0.74SS**  trans85.2119.2171.1-1720000113.5
414E39.8Very low35.7Very low158 Ų158138 Ų13874%0.73874%0.737SS**  cis89.4160.725.7-160.7178.4-143.500114.3
415S34.8Very low36.6Very low118 Ų118136.1 Ų136.183%0.82574%0.74SS**  trans69.3147-173.579.80000116
416G32.7Very low36.6Very low64 Ų64138.8 Ų138.866%0.6675%0.753SS**  cis154177.9-7.700000112.6
417R37.7Very low36.5Very low256 Ų256141.4 Ų141.497%0.96676%0.762SS**  trans67.2159.9176.9-63.3179.5173.2-160.9-3.2114.7
418A32.8Very low36.2Very low95 Ų95139.4 Ų139.479%0.78576%0.759SS**  cis-165.4-177.9-26.500000108.1
419G35.8Very low36.3Very low65 Ų65141.9 Ų141.967%0.6777%0.771SS**  trans102.993.4-178.700000110.6
420C36.3Very low36.5Very low115 Ų115139.4 Ų139.478%0.77777%0.773SS**  79.1144.650-52.80000113.8
421F31.6Very low37.7Very low200 Ų200141 Ų14188%0.87779%0.785SS**  trans69.8111176.6-69.3-81.5000118.9
422S46.6Very low38.2Very low118 Ų118143.2 Ų143.283%0.82580%0.796SS**  trans-130.7121147.8-53.70000108
423P46.3Very low38.3Very low125 Ų125142.7 Ų142.781%0.81280%0.799SS**  trans-89.5171.9166.733.9-30.4000111.6
424K31.5Very low38.3Very low196 Ų196142.7 Ų142.785%0.85280%0.804SS**  trans-117.8142.7-166.6-60.3174.4-178.6173.60113.9
425V46.9Very low38Very low134 Ų134142.8 Ų142.881%0.81281%0.809SS**  trans27.1127.5132.3-173.50000120.2
426T33.5Very low37.9Very low144 Ų144147.7 Ų147.788%0.88381%0.809SS**  trans-154.2-174.6146.4370000112.6
427K44.3Very low37.9Very low198 Ų198152 Ų15286%0.86181%0.812SS**  trans-116.4-176.9-161.1-64.6-172178.8-178.30112.4
428K36.9Very low37.7Very low164 Ų164149.5 Ų149.571%0.71380%0.803SS**  cis-143.3-9614.1-158.7-149.6-172.5-143.30116
429E38.4Very low37.5Very low149 Ų149153.3 Ų153.370%0.69680%0.802SS**  trans-151.1160.7-159.7-76.1155.8-147.300113.4
430A33.8Very low37.4Very low97 Ų97154.9 Ų154.980%0.80280%0.802SS**  trans-148.1150.1140.900000109.7
431P58.6Low37Very low128 Ų128157.6 Ų157.683%0.83181%0.808SS**  trans-110.5155.3-167.539.5-32.9000115.4
432L38Very low36.8Very low179 Ų179151.3 Ų151.394%0.93780%0.8SS**  trans-149.4167.1160.5-110.1178.8000112.8
433K35.4Very low36.2Very low187 Ų187156 Ų15681%0.81381%0.805SS**  trans-95.5164.6-168.6-65176.2179.5174.70113.9
434S32.3Very low35.6Very low106 Ų106155.4 Ų155.474%0.74180%0.804SS**  trans61.9113.5150.254.10000121.1
435L33.4Very low35.7Very low161 Ų161152.9 Ų152.984%0.84380%0.8SS**  52.5114.1116.3-153.482.6000117
436R32.1Very low35.1Very low220 Ų220156.1 Ų156.183%0.8380%0.803SS**  -178.6151.870.5-160172-170.6-1444.9110.7
437Q33.6Very low35Very low155 Ų155155.7 Ų155.772%0.72480%0.796SS**  trans-15.2141173.3-56.7176.8-16.900118.3
438R33Very low34.4Very low204 Ų204152 Ų15277%0.7780%0.795SS**  -176.315583.8-94.5-175.1167.4-157.6-4113.6
439F29.5Very low34Very low175 Ų175150.6 Ų150.677%0.76880%0.8SS**  trans35.1132.3142.8-70.7-66.2000120.4
440S32.4Very low33.5Very low97 Ų97148 Ų14868%0.67880%0.798SS**  cis-168.5-172.119.5-76.90000112.6
441L27.9Very low33.1Very low173 Ų173149.5 Ų149.591%0.90680%0.801SS**  trans86.780.3149.6-66.5168.8000121.5
442G27.9Very low31.8Very low68 Ų68150.1 Ų150.170%0.70180%0.796SS**  87.3176.1103.200000121.2
443K33.6Very low31.2Very low215 Ų215150.3 Ų150.394%0.93579%0.79SS**  trans76.5148.5-170.8-55.8170.3-174.9169.30113.3
444S34.3Very low30.8Very low114 Ų114146.5 Ų146.580%0.79779%0.786SS**  cis-149.2163.20.643.10000112.4
445N33.4Very low30.5Very low143 Ų143149.4 Ų149.477%0.76579%0.786SS**  trans-51.2153.5169.5-57.25.2000113.4
446K35.2Very low30.4Very low201 Ų201148.4 Ų148.487%0.87479%0.786SS**  trans-148.7126.6134.3-164.9171.1-176.6179.30110.7
447D30.3Very low30.3Very low136 Ų136144 Ų14473%0.72778%0.783SS**  trans-76.2149.1177.2-50.5-94.4000111.8
448S32Very low30Very low121 Ų121143.5 Ų143.585%0.84679%0.785SS**  trans-143.1136.5160.158.60000109.9
449V29.3Very low29.9Very low134 Ų134141.2 Ų141.281%0.81279%0.785SS**  trans-102.4140.3-165167.10000111.8
450S27.5Very low29.9Very low93 Ų93142.7 Ų142.765%0.6579%0.791SS**  trans18113.8156.8170.40000118.2
451C25.4Very low29.7Very low130 Ų130141.1 Ų141.188%0.87879%0.79SS**  trans-119.1128.1144.5-84.50000109.9
452I30.4Very low30.1Very low140 Ų140139.3 Ų139.372%0.71879%0.792SS**  trans-78.9131.9173.3-62.8159.7000107.6
453F25.8Very low30.3Very low183 Ų183139.4 Ų139.480%0.80379%0.793SS**  trans-147.8119.1150-110.2-73.4000111.2F455F453-F455 HydrophobicContact CD1-CD2 4.04Å; F453-F455 HydrophobicContact CD1-CE2 4.32Å; F453-F455 HydrophobicContact CE1-CD2 4.43Å; F453-F455 HydrophobicContact CE1-CE2 4.25Å
454S28.2Very low30.7Very low107 Ų107134.5 Ų134.575%0.74879%0.785SS**  trans-83.9132.4161.1-54.30000108.2
455F26.3Very low30.7Very low168 Ų168137.1 Ų137.174%0.73779%0.789SS**  trans-142.1124.2160.6-116.6-76.5000111.5F453 V457F453-F455 HydrophobicContact CD1-CD2 4.04Å; F453-F455 HydrophobicContact CD1-CE2 4.32Å; F453-F455 HydrophobicContact CE1-CD2 4.43Å; F453-F455 HydrophobicContact CE1-CE2 4.25Å; F455-V457 HydrophobicContact CD1-CG2 3.77Å
456V30.3Very low30.7Very low140 Ų140133 Ų13385%0.84878%0.78SS**  trans-92.2119.8165.3174.10000106.6
457V29.8Very low30.8Very low126 Ų126130.7 Ų130.776%0.76478%0.777SS**  trans-134.8150170.3-173.20000109.3F455F455-V457 HydrophobicContact CD1-CG2 3.77Å
458L28Very low31.1Very low146 Ų146134 Ų13476%0.76478%0.779SS**  trans-132.5136.2-164.8172.868.6000110.1
459M29.8Very low31.2Very low156 Ų156135.1 Ų135.177%0.76878%0.775SS**  trans73.6147.8160.2-78-73.9-179.400121.3
460K30.3Very low31.2Very low206 Ų206132.9 Ų132.990%0.89677%0.77SS**  trans65.3147.3164.4-62.6165.8-178.4-1770117
461G28.9Very low31.3Very low64 Ų64134.7 Ų134.766%0.6678%0.778SS**  cis143.5131.1-7.900000114
462S35Very low31.7Very low135 Ų135136 Ų13694%0.94477%0.771SS**  trans74.5157.8167.578.70000120.4
463G31.9Very low31.7Very low69 Ų69136.5 Ų136.571%0.71177%0.77SS**  trans85.6111.8174.100000114.6
464S42Very low32Very low112 Ų112132.2 Ų132.278%0.78376%0.763SS**  cis94.215633.885.60000114.7
465I34.9Very low32.1Very low169 Ų169133.2 Ų133.287%0.86777%0.765SS**  trans75.5138.2-174.5-47.6158.7000113.7
466G34.2Very low32.3Very low57 Ų57131.9 Ų131.959%0.58877%0.771SS**  cis151.2147.5-11.100000114.1
467L37.1Very low32.2Very low153 Ų153128.3 Ų128.380%0.80176%0.762SS**  trans68.4146.8172.8-81.569000117.2
468R36.3Very low32.1Very low206 Ų206132.9 Ų132.978%0.77777%0.772SS**  cis-156-161.9-22.1-134.6-161-87.1-164.6-4.5107.7
469L34.3Very low32.1Very low144 Ų144132.3 Ų132.375%0.75477%0.769SS**  cis-118.2-94.416.2-151.1-179000114.2
470A28.8Very low32Very low87 Ų87135.1 Ų135.172%0.71978%0.777SS**  cis-157.3-174.8-6.600000110.5
471T30.3Very low31.9Very low131 Ų131131.8 Ų131.880%0.80477%0.769SS**  trans-122.7164.6-174.653.10000111.5
472Q32.6Very low32Very low156 Ų156136.9 Ų136.973%0.72977%0.773SS**  cis-154.3142.515.7-150.3178.5-14.400113.9
473E31.3Very low31.6Very low151 Ų151137.7 Ų137.771%0.70676%0.762SS**  trans33121.4145.8-65.5167.2-107.100125.3
474S32.7Very low31.6Very low93 Ų93141.7 Ų141.765%0.6576%0.764SS**  82114.8115.4-54.80000125
475T30Very low30.9Very low129 Ų129141.7 Ų141.779%0.79176%0.755SS**  trans79.3157.1134.843.40000124.1
476T30.4Very low30.7Very low140 Ų140142.3 Ų142.386%0.85975%0.752SS**  trans68.5113.3168.756.20000120.1
477G28.6Very low30.3Very low65 Ų65145.6 Ų145.667%0.6776%0.761SS**  113.9114.69600000118.9
478F26.1Very low30.3Very low221 Ų221144 Ų14497%0.96976%0.759SS**  trans76.1151.7156.6-70.7-81000121
479I28.5Very low30Very low135 Ų135140 Ų14069%0.69276%0.763SS**  trans-107148.4-172.5-64161.1000108.2
480F28.7Very low29.7Very low214 Ų214140.2 Ų140.294%0.93977%0.765SS**  trans-134.4143.3146-115.2-83.6000110.8
481N28Very low29.7Very low137 Ų137144 Ų14473%0.73377%0.772SS**  trans-92.3163.4-172.9-79.1-26000112.9
482K29.6Very low29.6Very low170 Ų170141.8 Ų141.874%0.73977%0.767SS**  trans94.7115142.1-151.1152.9-163-178.70118.7
483E28.2Very low29.4Very low153 Ų153144.4 Ų144.472%0.71577%0.77SS**  19.9155.2125.8-58.5153.6-158.700119.8
484M31.6Very low29.2Very low152 Ų152146.1 Ų146.175%0.74978%0.775SS**  cis-173.2-173.1-22.7-159157.366.400106.2
485D27.2Very low29Very low113 Ų113146.7 Ų146.760%0.60478%0.775SS**  trans72.1102157.2-57.4-31.3000122.7
486F29.7Very low28.9Very low181 Ų181148.7 Ų148.779%0.79478%0.775SS**  63.4129.9123.2-74.4-76.2000125.6
487T26.5Very low29Very low127 Ų127145.9 Ų145.978%0.77976%0.761SS**  trans60.4121.114743.60000121.7
488P37.7Very low29.1Very low119 Ų119151.9 Ų151.977%0.77377%0.769SS**  trans-104.7127.9160.135.4-26.5000112.8
489S28.4Very low29.4Very low122 Ų122145.9 Ų145.985%0.85375%0.754SS**  trans-117.1144.7159.6610000109.4
490N29.2Very low29.7Very low148 Ų148143.8 Ų143.879%0.79175%0.752SS**  trans-108.3131.1-174.2-77.8-99.3000111
491L27.7Very low30Very low168 Ų168139.8 Ų139.888%0.8874%0.74SS**  -159.3164121.6-133.468.2000113.7
492A29.6Very low30.2Very low83 Ų83142.7 Ų142.769%0.68674%0.742SS**  trans-65174.3-178.500000113.1
493R27.5Very low30.3Very low211 Ų211142.4 Ų142.480%0.79675%0.746SS**  cis-179.3130.843-167.9-169.4-55.3162.34.4113.2
494K27.6Very low30.6Very low188 Ų188139.3 Ų139.382%0.81774%0.741SS**  trans60.7159.5161.5-73.9-176.4174.3-164.90116
495T29.2Very low30.9Very low104 Ų104140.6 Ų140.664%0.63874%0.742SS**  cis-149.3170.4-8.20.40000110.1
496E26.1Very low31.3Very low171 Ų171139.7 Ų139.780%0.79975%0.745SS**  trans-5.5155.6150.1-64157.8140.200120.9
497S32.8Very low31.7Very low81 Ų81138.3 Ų138.357%0.56674%0.741SS**  cis-178.9158-18.765.70000110.4
498K31Very low32.2Very low192 Ų192138.9 Ų138.984%0.83574%0.739SS**  trans67.4155.4156.7-68162.9-172.8168.60116.2
499S32.2Very low32.1Very low94 Ų94139 Ų13966%0.65773%0.733SS**  cis-167.5168.9-14.547.30000110.8
500S35.6Very low32.4Very low92 Ų92139.6 Ų139.664%0.64373%0.726SS**  trans65.8148.2145.651.90000120.2
501N34.6Very low32.6Very low130 Ų130139.9 Ų139.970%0.69573%0.727SS**  cis-167.7172.8-12.3-103.1-8.9000110.2
502Y32.3Very low32.8Very low198 Ų198137.8 Ų137.878%0.77672%0.721SS**  trans86.2133.3150.2-74.2-59.6000123
503M30.8Very low33.3Very low164 Ų164139.4 Ų139.481%0.80872%0.724SS**  trans74.5127.5146.1-72.6169.568.500118.2
504S35.5Very low33.1Very low88 Ų88137.9 Ų137.962%0.61573%0.727SS**  cis86.9129.748.7179.10000110.6
505K36.8Very low33Very low178 Ų178133.6 Ų133.677%0.77472%0.719SS**  cis-161.5168.114.5-133.5172.5-168.1-179.40110.9
506S37.1Very low32.8Very low94 Ų94135.5 Ų135.566%0.65773%0.725SS**  trans58171.5149.561.40000117.9
507E37.6Very low32.8Very low152 Ų152132.9 Ų132.971%0.7173%0.726SS**  cis-147.5151.54.138-120.466.700112.6
508D36Very low32.5Very low139 Ų139133.6 Ų133.674%0.74373%0.731SS**  trans60.5148.4131.3-73.641.5000124.2
509N35.7Very low32.4Very low122 Ų122129.7 Ų129.765%0.65272%0.723SS**  cis-166.4173.4-19.6-140.7-39.5000112.4
510L35Very low32.2Very low135 Ų135134 Ų13471%0.70773%0.733SS**  trans66.3112.7159.9-56.6-175.7000123.7
511L34.6Very low31.7Very low154 Ų154138.3 Ų138.381%0.80674%0.743SS**  63133.5120.7-60.5177.3000125.7
512T31.8Very low32Very low123 Ų123136.8 Ų136.876%0.75574%0.74SS**  trans-53.6157.8156.547.70000115.9
513P39.7Very low31.7Very low117 Ų117131.8 Ų131.876%0.7673%0.734SS**  -129.9169.482.325.4-5.1000113.3
514Q23.4Very low31.4Very low180 Ų180134.7 Ų134.784%0.84174%0.736SS**  cis65.4145.647.7-104.5-161.410.600113.9
515C25.1Very low30.9Very low98 Ų98137.3 Ų137.366%0.66274%0.742SS**  cis-153-178.8-1.8-152.80000110.9
516D25.6Very low30.5Very low143 Ų143134.1 Ų134.177%0.76574%0.737SS**  trans-82.7179.6-169.7-57.4-87000117.9
517S24.9Very low29.9Very low116 Ų116138.5 Ų138.581%0.81175%0.747SS**  trans86.8146.8163.9810000116.6
518S26.9Very low30.2Very low96 Ų96137.7 Ų137.767%0.67175%0.753SS**  cis-166.3166.245.853.30000116.5
519T28.7Very low30.8Very low111 Ų111136.5 Ų136.568%0.68175%0.752SS**  trans57.7117.1150.449.80000124.2
520H28.7Very low30.6Very low184 Ų184137.3 Ų137.385%0.85276%0.761SS**  trans64.4135.9131-60.1-59.8000125.4
521Q24.6Very low30.5Very low182 Ų182134.1 Ų134.185%0.8576%0.761SS**  trans-46.1173.9149.7-106.1179.5-30.100115.5
522P41.4Very low30.6Very low98 Ų98132.6 Ų132.664%0.63676%0.758SS**  cis-142.8163.1-537.6-17.9000118.4
523S24.9Very low30.8Very low93 Ų93135.7 Ų135.765%0.6576%0.764SS**  trans64151.6135.869.20000125.3
524W24.9Very low30.7Very low226 Ų226134.1 Ų134.186%0.85676%0.761SS**  trans81145.9154.6-74.7109000121.5
525I24.6Very low31.3Very low143 Ų143133.5 Ų133.573%0.73376%0.763SS**  trans68.7129.2159.7-66.7154.6000115.7
526V28.7Very low31.8Very low110 Ų110134 Ų13467%0.66776%0.759SS**  cis98.4135.224.3178.20000114.4
527E25.9Very low32.3Very low186 Ų186137.5 Ų137.587%0.86976%0.761SS**  trans77.6134.7167.7-84.5159.8-146.800121.9
528T43.8Very low32.7Very low136 Ų136135 Ų13583%0.83475%0.753SS**  trans-88.9164.9171.816.40000111.6
529P48Very low33.2Very low114 Ų114135.3 Ų135.374%0.7476%0.756SS**  trans-150.6168132.439-23.1000117
530V32.3Very low33.6Very low138 Ų138139.2 Ų139.284%0.83676%0.764SS**  trans68.1134.2165.6-159.50000116.5
531G32.3Very low34Very low68 Ų68136.5 Ų136.570%0.70175%0.754SS**  cis139.3165.12.300000111
532T36.6Very low34.4Very low123 Ų123134.3 Ų134.376%0.75575%0.748SS**  cis-165165.5-4.5-32.20000109.9
533Q36.5Very low34.2Very low187 Ų187135.8 Ų135.887%0.87476%0.756SS**  trans76.4146.4165.5-58.5-178.522.800118.9
534A37.1Very low35.7Very low85 Ų85136.6 Ų136.670%0.70276%0.759SS**  cis-173.3170.4-23.200000106.6
535L35.7Very low36.1Very low167 Ų167133 Ų13387%0.87476%0.755SS**  cis-146173.73-79.5177.4000105.9
536D36Very low36.3Very low107 Ų107131.2 Ų131.257%0.57275%0.752SS**  cis-166.5162.9-26.9173.937000106.5
537R35.3Very low36.2Very low218 Ų218132.9 Ų132.982%0.82376%0.762SS**  trans68.6123.2155.8-144.4159.7-63.7-110.4-10.1120.4
538G34.4Very low37Very low62 Ų62128.7 Ų128.764%0.63976%0.759SS**  cis162.2165.8-11.500000115.5
539S36.8Very low36.3Very low104 Ų104129.9 Ų129.973%0.72776%0.759SS**  trans68.5147.8171.269.10000118.9
540F36.8Very low35.3Very low192 Ų192133.6 Ų133.684%0.84276%0.764SS**  cis-179.5166.8-21.2-88.9-31.7000106.5
541I37.6Very low35Very low128 Ų128130.8 Ų130.866%0.65676%0.763SS**  cis-159.3136.7-8-108.7163.1000104.5
542D33.8Very low34.8Very low136 Ų136132.6 Ų132.673%0.72777%0.765SS**  64.2148.276-81.7-38000115.9
543T36.4Very low34.5Very low129 Ų129136.5 Ų136.579%0.79177%0.767SS**  cis-152.8176.48.260000111.7
544P57Low34.2Very low110 Ų110135.4 Ų135.471%0.71476%0.764SS**  trans-122.8-174.2-171.743.4-32.4000117.7
545L32.2Very low33.9Very low149 Ų149135.8 Ų135.878%0.7876%0.761SS**  trans91.2125.8147-131.179.3000122.9
546T29.6Very low34Very low107 Ų107136.7 Ų136.766%0.65676%0.761SS**  trans61.7141.4142.439.80000125.9
547T27.1Very low34.9Very low145 Ų145137.3 Ų137.389%0.8977%0.771SS**  trans75.6161.8149.147.70000120.1
548A41.1Very low34.9Very low98 Ų98131.1 Ų131.181%0.8177%0.766SS**  trans-128.1155.3-152.900000115.1
549L29.2Very low35.1Very low160 Ų160135.8 Ų135.884%0.83878%0.775SS**  trans-155.8172.3173.6-104.6167.3000112.1
550K27.7Very low34.8Very low193 Ų193137 Ų13784%0.83978%0.778SS**  trans-26.5151.4175.4-58.1163.9179.2175.50117.2
551G26.4Very low34.5Very low78 Ų78131.8 Ų131.880%0.80477%0.771SS**  cis109.3104.80.600000115.5
552S27.8Very low34.3Very low107 Ų107130.4 Ų130.475%0.74877%0.772SS**  trans-174.4167.9161.2-1570000113.9
553Y29.8Very low34.2Very low205 Ų205133.1 Ų133.180%0.80478%0.778SS**  trans64.5127.1176.8-75.4-103000117.2
554M29.9Very low33.7Very low163 Ų163134.1 Ų134.180%0.80378%0.777SS**  cis83.4133.745.5-62.3-88.5-170.300113
555S31.4Very low32.3Very low93 Ų93133.8 Ų133.865%0.6578%0.777SS**  cis-166151.4-8.9-81.60000112.6
556E37.9Very low33.3Very low186 Ų186132.6 Ų132.687%0.86978%0.778SS**  trans55.2157.2157.1-76.4-158.6142.900121.9
557P54Low33.3Very low120 Ų120132 Ų13278%0.77979%0.785SS**  cis-104-120.45.236.3-21.1000114
558A36.2Very low33.4Very low88 Ų88131.4 Ų131.473%0.72778%0.781SS**  cis-152.1-177.22000000113.3
559I38.6Very low32.8Very low161 Ų161134.5 Ų134.583%0.82678%0.782SS**  trans-138.7141.7-171.3-34.1-179.8000106.5
560V30.8Very low33.2Very low128 Ų128134.5 Ų134.578%0.77678%0.782SS**  -157.8110.156.4170.20000108.4
561A31.1Very low34.3Very low84 Ų84130 Ų13069%0.69477%0.773SS**  80.7144.196.400000116.1
562S32.5Very low34.5Very low98 Ų98135.2 Ų135.269%0.68577%0.773SS**  cis-175.5145-15.551.40000113.7
563K31.4Very low34.5Very low194 Ų194139.3 Ų139.384%0.84378%0.777SS**  trans63.3162.4143.7-71.4178.2176.9177.20117.8
564L26.6Very low34.6Very low150 Ų150137.2 Ų137.279%0.78578%0.78SS**  cis-145.9-166.6-5.9-127167.9000110.6
565S26.4Very low34.6Very low102 Ų102134.5 Ų134.571%0.71378%0.775SS**  trans-118.4-169-16268.70000113.4
566P54.1Low34.4Very low124 Ų124136.2 Ų136.281%0.80579%0.786SS**  trans-96.8160.8-151.738.6-39.9000117.5
567A28.6Very low34.1Very low96 Ų96132 Ų13279%0.79378%0.782SS**  trans-156132.5156.400000115.1
568T29.8Very low33Very low132 Ų132132.1 Ų132.181%0.8179%0.786SS**  trans-0.1139.8143.4-36.60000120.6
569I29.6Very low32.8Very low163 Ų163133.3 Ų133.384%0.83679%0.79SS**  175134.3125.6-90.3155.3000113.5
570L37.7Very low32.5Very low160 Ų160131.1 Ų131.184%0.83879%0.788SS**  trans-107.6161.7163.1-85.2165.5000107.6
571P49.8Very low32.5Very low98 Ų98133.4 Ų133.464%0.63679%0.791SS**  cis-154.9-156.938.737-10.7000116.2
572K30.3Very low32.4Very low187 Ų187134.4 Ų134.481%0.81379%0.793SS**  trans80.8114.1165.5-61.3162.1-176.2174.50115.3
573K28.4Very low32.2Very low193 Ų193136.6 Ų136.684%0.83980%0.796SS**  77.7110.464.3-79.4-169.9174.3-174.20113.9
574L32.2Very low32.1Very low162 Ų162134.9 Ų134.985%0.84879%0.791SS**  -177.5171.8106.3-94.1173.7000113.2
575C28.3Very low32.4Very low106 Ų106132.7 Ų132.772%0.71679%0.788SS**  trans-23.1144.7178.8-60.40000119.6
576C28.7Very low32.6Very low129 Ų129134.3 Ų134.387%0.87279%0.794SS**  cis83.495.943.3-62.40000116
577A31.1Very low31.4Very low96 Ų96139 Ų13979%0.79380%0.795SS**  trans176.3157155.400000108.2
578S30.4Very low31.3Very low123 Ų123144.1 Ų144.186%0.8680%0.8SS**  cis-160.6171.5-23.4-90.60000108.3
579S32.7Very low31.3Very low114 Ų114144 Ų14480%0.79780%0.799SS**  trans-102.5-177.6-179.5-51.50000113.7
580S32.9Very low31.2Very low114 Ų114141.1 Ų141.180%0.79780%0.799SS**  trans87.6149.5177.480.10000115.1
581E30.1Very low30.8Very low177 Ų177142.2 Ų142.283%0.82780%0.8SS**  cis-132.7150.712.8-70.2-178.3118.700112.1
582S29.6Very low30.6Very low105 Ų105143.4 Ų143.473%0.73481%0.808SS**  51.2103.997.1-144.10000114.8
583L28.6Very low30.4Very low144 Ų144142.6 Ų142.675%0.75481%0.812SS**  88.113266.6-84.5174.9000116.4
584E29Very low30.5Very low157 Ų157144 Ų14473%0.73481%0.812SS**  trans67.4115.8152.7-71.4168.7131.200119
585S33.2Very low30.4Very low104 Ų104144.3 Ų144.373%0.72781%0.809SS**  80.7142.194.3-58.90000113
586T28.8Very low30.4Very low137 Ų137146 Ų14684%0.8481%0.811SS**  cis-157.1176.745.144.40000112.8
587R30.1Very low30.2Very low222 Ų222147.1 Ų147.184%0.83881%0.808SS**  trans-78.4154.3162.7-54.3172-178.1155.2-1110.7
588F27Very low31.5Very low204 Ų204147.8 Ų147.890%0.89580%0.804SS**  -166.8169.8107-111.9-75.6000112.7
589V29.7Very low31.4Very low129 Ų129148 Ų14878%0.78280%0.801SS**  trans-91.6150.3-172.4175.60000111.4
590A27.4Very low31.3Very low102 Ų102148.1 Ų148.184%0.84380%0.796SS**  trans-130.1140.6155.100000109.4
591E29.5Very low31Very low183 Ų183149.2 Ų149.286%0.85579%0.793SS**  trans-130.9132.3173.4-176.3180-124.200108.1
592P44.1Very low31.1Very low124 Ų124146.3 Ų146.381%0.80579%0.788SS**  trans-95.8170.7-176.437.5-35.1000113.8
593L27Very low31.1Very low170 Ų170149 Ų14989%0.8979%0.788SS**  trans-88.5151-176.1-165.864.7000113.1
594R31Very low31.4Very low221 Ų221148 Ų14883%0.83478%0.784SS**  trans-44144.1174.8-73-84.1-175155.2-2.2115.5
595Q28.5Very low31.5Very low170 Ų170146.5 Ų146.579%0.79478%0.781SS**  -177.3158.997.7-119.3167.9-33.700115.2
596N28.5Very low31.3Very low141 Ų141146.2 Ų146.275%0.75478%0.775SS**  trans80.7149.4161.6-52.4-14.8000120.7
597D25.5Very low31.3Very low153 Ų153150.3 Ų150.382%0.81878%0.775SS**  trans-115.4-169.2-171.6-30.7-96.3000111.5
598P58.3Low31.4Very low110 Ų110147.1 Ų147.171%0.71477%0.77SS**  cis-132.6-138.8-20.235.2-11.9000112
599T28.8Very low32.4Very low128 Ų128142.2 Ų142.279%0.78576%0.758SS**  trans71.5151.8164.446.10000120.5
600V29.3Very low32.3Very low116 Ų116144.3 Ų144.370%0.70376%0.759SS**  cis-170.8149.6-35.1106.80000111.6
601N27.8Very low32.5Very low137 Ų137144.7 Ų144.773%0.73376%0.756SS**  trans57169.9169.4-60.6-2000117.4
602T30.6Very low32.3Very low116 Ų116143 Ų14371%0.71275%0.753SS**  cis-150.1138.93.9-180000105.3
603Q31.3Very low31.7Very low160 Ų160144.1 Ų144.175%0.74875%0.751SS**  58.5128.556.5-173.2175.115.400112.3
604N34.2Very low32.3Very low125 Ų125141.5 Ų141.567%0.66874%0.744SS**  cis-152.1-150.3-8.2-12932.2000108.6
605D31.1Very low32.2Very low125 Ų125135.3 Ų135.367%0.66874%0.741SS**  cis-164.2-175.65.9-140.9-60.3000111.2
606V29.3Very low32Very low98 Ų98131.6 Ų131.659%0.59473%0.734SS**  trans69.5128.7145.7161.20000119.1
607R29.3Very low32Very low223 Ų223133.8 Ų133.884%0.84274%0.736SS**  cis-162.5152.4-4.2-129175.7-151.3143.412115.3
608E32.2Very low32Very low155 Ų155137.1 Ų137.172%0.72474%0.737SS**  trans-74.4177.8151.6-77.1-67.6158.800110.8
609P47.6Very low30.4Very low100 Ų100135.1 Ų135.165%0.64974%0.736SS**  cis-14717924.144.8-23.9000119.6
610E27.5Very low30.2Very low173 Ų173138.3 Ų138.381%0.80874%0.74SS**  trans11.2148.4131.5-46175.4128.200118.6
611S30.5Very low30Very low111 Ų111138 Ų13878%0.77674%0.742SS**  cis-160-158.63344.90000109.4
612D26.1Very low30Very low148 Ų148136.9 Ų136.979%0.79175%0.745SS**  cis-158.9-176.47-160.56.2000112
613L30.5Very low29.8Very low146 Ų146136 Ų13676%0.76474%0.743SS**  trans-88.9-176.2167.9-82.6166.6000111.2
614P41.6Very low29.7Very low115 Ų115134.5 Ų134.575%0.74774%0.744SS**  cis-148.4167.821.844.2-23.1000121
615A27.2Very low29.4Very low92 Ų92131.9 Ų131.976%0.7675%0.747SS**  trans27.1144.9141.500000124.1
616S25.4Very low29.5Very low92 Ų92134.7 Ų134.764%0.64376%0.756SS**  153.6113.198.4-174.20000117.1
617K28.3Very low29.5Very low186 Ų186135.6 Ų135.681%0.80977%0.767SS**  trans63.4158.8147-58.6172.7-175.5172.30117.5
618R24.3Very low29.6Very low224 Ų224128 Ų12885%0.84576%0.758SS**  cis-162.113914.9-151.2-176.8-56.4-169.73.9113
619G25.2Very low29.7Very low67 Ų67128.2 Ų128.269%0.69176%0.762SS**  trans70.3-179.9153.600000119
620F25.4Very low28.9Very low195 Ų195131.9 Ų131.986%0.85577%0.768SS**  cis-165.9158.4-21-132.3-83000110.8
621C24.5Very low29Very low110 Ų110131 Ų13174%0.74377%0.768SS**  trans22.6122.7165-80.40000123.2
622S28.3Very low29Very low114 Ų114130.4 Ų130.480%0.79776%0.764SS**  trans177.4153.1132.527.20000108.7
623S26.8Very low29.2Very low98 Ų98126.8 Ų126.869%0.68576%0.755SS**  cis147.1145.2-19.657.30000106.7
624V28.6Very low29.1Very low127 Ų127126.4 Ų126.477%0.7775%0.753SS**  trans71.1138.6177.7-166.60000110.8E626V624-E626 HydrophobicContact CG1-CG 4.26Å
625G28.7Very low28.7Very low70 Ų70126.9 Ų126.972%0.72275%0.754SS**  cis89.9152.139.900000108.4
626E31.9Very low29.4Very low184 Ų184128 Ų12886%0.8675%0.754SS**  cis-154.8174.92.6-64.4-178.911700104.8V624V624-E626 HydrophobicContact CG1-CG 4.26Å
627S30.6Very low29.5Very low117 Ų117127.8 Ų127.882%0.81876%0.757SS**  cis-156.9162.8-1645.10000105.5
628G31.1Very low29.5Very low64 Ų64125.6 Ų125.666%0.6676%0.759SS**  cis172.3-177.9-4.500000109.9
629I33.2Very low30.2Very low159 Ų159120.4 Ų120.482%0.81576%0.755SS**  trans63.888.4161.8-53.9-179.9000114.4
630K30.5Very low30.2Very low177 Ų177122.8 Ų122.877%0.7776%0.756SS**  83.8122.588.6-82.3-175.9176.3179.40113.5
631L31.5Very low30.3Very low155 Ų155119 Ų11981%0.81275%0.754SS**  64.213785.1-67.5-177.2000113.2
632S29.1Very low30.3Very low99 Ų99117.2 Ų117.269%0.69275%0.747SS**  cis-154.7159.48.8-179.10000112.4
633A30.6Very low30.2Very low71 Ų71120.2 Ų120.259%0.58775%0.746SS**  trans-55.6162.5155.700000111.9
634N28.5Very low30.1Very low138 Ų138123.5 Ų123.574%0.73875%0.75SS**  -166.1140.568.9-76.7-54.7000114.6
635V34.1Very low29.9Very low125 Ų125123 Ų12376%0.75875%0.747SS**  20.2130108.4-164.80000114.8
636P41.3Very low29.7Very low117 Ų117126.2 Ų126.276%0.7675%0.748SS**  -159.9-177.46744.9-23.6000120.7
637A27.6Very low29.3Very low86 Ų86123 Ų12371%0.71174%0.741SS**  trans88.892.4142.500000121.1
638T28Very low29Very low140 Ų140126.7 Ų126.786%0.85974%0.743SS**  trans-65.1147.5137.2460000111.4
639P38.8Very low28.7Very low115 Ų115129.1 Ų129.175%0.74775%0.748SS**  -145.8173.4102.831-12.3000112.3
640T25.6Very low29.3Very low117 Ų117127.2 Ų127.272%0.71875%0.747SS**  cis169.4147.2-13-80.90000105.3
641S26.5Very low30Very low115 Ų115124.2 Ų124.280%0.80475%0.745SS**  trans64.6168.1164.467.50000119.9
642A24.8Very low29.7Very low73 Ų73120.6 Ų120.660%0.60374%0.737SS**  cis-175.1162.2-4400000110.4
643F26.5Very low29.6Very low177 Ų177124.5 Ų124.578%0.77675%0.745SS**  trans68126.2168.4-67.9-77.1000116.4
644E25Very low29.5Very low167 Ų167125.3 Ų125.378%0.7875%0.751SS**  66.6143.794.6-70.2-173173.400115.4
645V24.9Very low29.5Very low116 Ų116125.5 Ų125.570%0.70375%0.753SS**  cis-159.4155-11.5116.20000110.3
646D23.5Very low29.2Very low139 Ų139126.6 Ų126.674%0.74375%0.749SS**  trans25.2145.3162.3-56.7-25.2000125.4
647T24.4Very low28.7Very low115 Ų115127.8 Ų127.871%0.70675%0.745SS**  trans111.5140.5132.2-40000122
648F24.3Very low28.8Very low195 Ų195129.8 Ų129.886%0.85574%0.743SS**  trans81113.2157.7-71.4-66000122.4
649C24.3Very low28.8Very low115 Ų115128.6 Ų128.678%0.77774%0.736SS**  trans-79-174.4148.9-400000109.6
650P46.1Very low28.3Very low120 Ų120129.1 Ų129.178%0.77974%0.737SS**  cis-131.8-148.69.738.3-13.1000110.6
651P45.3Very low28.4Very low113 Ų113133.7 Ų133.773%0.73475%0.747SS**  cis-143.4176-2.444.7-25.8000119.4
652A25.7Very low28.6Very low79 Ų79131.5 Ų131.565%0.65374%0.743SS**  trans72.5138.713900000123.7
653Q26.6Very low28.9Very low181 Ų181137.8 Ų137.885%0.84675%0.751SS**  trans62.8113.2147.1-73.2168.3-33.300117.7
654A28.2Very low29Very low88 Ų88136.7 Ų136.773%0.72775%0.746SS**  92.61519000000111.1
655D27.4Very low29.1Very low143 Ų143134.6 Ų134.677%0.76574%0.74SS**  cis-144.2168.94.8-137.7-29.2000112.8
656E28.4Very low29.4Very low148 Ų148137.6 Ų137.669%0.69274%0.744SS**  trans19.3149.5154-100.3-174.3-164.400126.1
657Q31.8Very low29.5Very low141 Ų141139 Ų13966%0.65975%0.746SS**  trans88.2109.1142.9-76.6-177.257.100123.1
658N28.9Very low29.7Very low128 Ų128137.4 Ų137.468%0.68474%0.744SS**  99.6124.7113.8-76.9-16.6000124.2
659V28Very low30Very low116 Ų116136.1 Ų136.170%0.70375%0.746SS**  82.493.3128.5175.20000119.6
660T28.7Very low30.4Very low126 Ų126136.8 Ų136.877%0.77375%0.746SS**  77.3113.6120.8-54.90000120.5
661F28.2Very low30.6Very low213 Ų213136.3 Ų136.393%0.93474%0.743SS**  trans-66.2145.1159.3-87.8-102.7000113.2
662G30.5Very low29.9Very low68 Ų68137.9 Ų137.970%0.70174%0.744SS**  trans-151.3164.2155.400000109.6
663R29.6Very low30.2Very low206 Ų206141.9 Ų141.978%0.77775%0.749SS**  cis-168.6158-8.1-165.3172.6173.8-164.8-1.1107.6
664F29.6Very low30.4Very low153 Ų153140.1 Ų140.167%0.67174%0.744SS**  trans70.9155.4172.3-46.3-69.9000116.2
665N27.7Very low30.4Very low123 Ų123142.9 Ų142.966%0.65875%0.747SS**  cis150.6122.4-29.1-97.519.6000107.6
666F29.4Very low30.5Very low180 Ų180141.9 Ų141.979%0.78975%0.751SS**  trans59152.6156-59.7-64.2000118.5
667E26.8Very low30.6Very low169 Ų169138.7 Ų138.779%0.7976%0.758SS**  cis-151.5172.9-4.3-142165.3164.100112.3
668A28.1Very low30.4Very low80 Ų80138.6 Ų138.666%0.66177%0.766SS**  trans19.2132156.900000122.2
669L31Very low30.5Very low169 Ų169141.3 Ų141.389%0.88577%0.773SS**  -174.2156.5103.8-97169.1000112.7
670T32Very low30.6Very low128 Ų128143.8 Ų143.879%0.78578%0.776SS**  trans-144.4172.5174.2560000109.1
671P50.6Low30.5Very low110 Ų110143.6 Ų143.671%0.71478%0.78SS**  -122.8179.9-50.138.3-26.3000110.7
672L30.2Very low30.4Very low146 Ų146138.6 Ų138.676%0.76477%0.772SS**  trans171.1161.4138-98.6166.9000115.6
673H31.6Very low31.1Very low163 Ų163139.6 Ų139.676%0.75577%0.766SS**  trans70.7168.8159.6-67.7127.2000120.5
674I32.6Very low31Very low145 Ų145138.3 Ų138.374%0.74477%0.768SS**  trans-149152.8-139.6-78.3170.4000110.7
675D27.7Very low30.7Very low145 Ų145136.3 Ų136.378%0.77577%0.772SS**  trans78137.7160.8-78.2-21.7000123.3
676S29.7Very low30.8Very low123 Ų123135.7 Ų135.786%0.8678%0.777SS**  trans65.4130.2146.4-62.40000122
677G29.2Very low32Very low80 Ų80133 Ų13383%0.82578%0.778SS**  trans160.9118.7162.300000114.7
678V27.5Very low31.9Very low139 Ų139131.2 Ų131.284%0.84278%0.778SS**  trans-96.3165.7-176.8166.50000112.1
679F32.6Very low31.9Very low186 Ų186132.9 Ų132.982%0.81678%0.78SS**  trans-33.3166.1163.1-67.2-105.2000115.6
680E30.4Very low31.6Very low167 Ų167131 Ų13178%0.7877%0.771SS**  cis-165.4163.124.9-153.9167.9-135.100112.2
681S25.5Very low31.3Very low123 Ų123134.2 Ų134.286%0.8677%0.774SS**  trans-178.1142.2138.131.30000116.9
682S26.1Very low30.1Very low108 Ų108132.5 Ų132.576%0.75578%0.776SS**  trans-83.7-169-177.5-99.40000115
683P45.4Very low30Very low88 Ų88134.2 Ų134.257%0.57179%0.785SS**  cis-147.7-168.3-39.541.2-21.7000116.7
684H26.9Very low29.9Very low179 Ų179131.4 Ų131.483%0.82978%0.784SS**  trans79.2157.1160.9-51.2-27.5000118.1
685C24.8Very low30.2Very low112 Ų112130.1 Ų130.176%0.75779%0.785SS**  cis-160.4157.215.5-154.50000116.7
686S28.2Very low30.3Very low109 Ų109127.9 Ų127.976%0.76278%0.781SS**  trans71.1156.8147.667.30000125.8
687P54.7Low30.1Very low123 Ų123132.1 Ų132.180%0.79978%0.784SS**  trans-130.5-179.6-175.745.5-30.1000117
688V25.3Very low29.9Very low132 Ų132131.5 Ų131.580%0.878%0.778SS**  trans177.2136.7157.7138.70000107.6
689V27.8Very low29.9Very low115 Ų115136.5 Ų136.570%0.69778%0.782SS**  cis90.8104.238.6177.30000115.4
690N26Very low29.6Very low131 Ų131132.6 Ų132.670%0.70178%0.776SS**  180132.2128.8-101.9-62.6000116.3
691K25.7Very low29.8Very low195 Ų195128.8 Ų128.885%0.84877%0.768SS**  trans29.2138.3137.4-60.9173.7-174.1174.10122.9
692G23.6Very low29.9Very low73 Ų73129.9 Ų129.975%0.75376%0.764SS**  trans-116.8-168.8158.900000113.1
693L28.8Very low30.1Very low182 Ų182129.7 Ų129.795%0.95376%0.763SS**  trans-146.9146.4-178.8-101.8165.3000112.7
694S28.8Very low29.3Very low104 Ų104131.3 Ų131.373%0.72777%0.771SS**  trans-140.5154169.364.30000109.7
695P40.4Very low29.4Very low119 Ų119131 Ų13177%0.77377%0.774SS**  -154.2-169.8114.836.3-16.8000113.2
696S29.3Very low29.5Very low98 Ų98128.6 Ų128.669%0.68577%0.769SS**  -165-163.5-50.672.90000109.4
697F25.6Very low29.5Very low211 Ų211128.8 Ų128.893%0.92577%0.77SS**  trans90.1125.5-174.5-62.3-74.3000117.1
698G25Very low28.2Very low68 Ų68127.6 Ų127.670%0.70176%0.761SS**  cis168.7142.9-1700000117
699R27.9Very low28.2Very low244 Ų244127.9 Ų127.992%0.92175%0.753SS**  trans66.8149163.2-65.6-165.5168.2-172.3-3.4118.2
700C25.4Very low28.3Very low104 Ų104131.8 Ų131.870%0.70376%0.755SS**  cis-167.5171.2-7.8-105.10000107.8
701S34.6Very low28.3Very low87 Ų87131.8 Ų131.861%0.60876%0.76SS**  cis-171.9-170.9-19.655.30000109.2
702N27.6Very low28.9Very low146 Ų146126.7 Ų126.778%0.78175%0.747SS**  trans75150173-485.3000114.9
703S30.2Very low29Very low103 Ų103131.8 Ų131.872%0.7275%0.751SS**  cis-179.3153.2-26.2510000109.9
704T29.9Very low28.9Very low123 Ų123131.4 Ų131.476%0.75574%0.744SS**  cis-171.6154.4-23.8-66.50000107.1
705L29Very low28.8Very low171 Ų171132 Ų13290%0.89574%0.743SS**  trans77146.6165.6-137.166.2000116.7
706G26.3Very low28.2Very low62 Ų62133.5 Ų133.564%0.63975%0.745SS**  cis-157.1157.7-4.600000110.9
707S27.2Very low28Very low113 Ų113133.1 Ų133.179%0.7974%0.741SS**  75.6129.874.9-160.10000112.3
708V27.8Very low28.3Very low99 Ų99127.8 Ų127.860%0.673%0.73SS**  cis-160.6133.65.7104.90000106.7
709E26.5Very low28.9Very low138 Ų138135.2 Ų135.265%0.64574%0.737SS**  76.8153.981.5-158.8-151.3-17000115.2
710R29Very low29.3Very low196 Ų196130.4 Ų130.474%0.7473%0.729SS**  trans86.3147.9164-54.5-174.4-162.4152.320.3117.6
711V25.5Very low29.7Very low131 Ų131132.3 Ų132.379%0.79473%0.73SS**  cis-146161.7-2.8108.80000110.3
712P38.5Very low29.6Very low89 Ų89136 Ų13658%0.57874%0.743SS**  trans-116.1-175.6-154.644.5-37.7000116.6
713Q25.7Very low29.8Very low180 Ų180132.6 Ų132.684%0.84174%0.736SS**  trans70.9159.9158.5-75.8158-36.400114.8
714Q26.3Very low30Very low174 Ų174135.5 Ų135.581%0.81374%0.742SS**  cis-164.8127.949.1174.1166.90.300114.6
715V27.6Very low30Very low115 Ų115135.7 Ų135.770%0.69774%0.739SS**  trans54.799.4140.1179.40000120.6
716N26.3Very low30Very low152 Ų152134.8 Ų134.881%0.81373%0.731SS**  76.9175.9116.4-154.510.3000120.7
717C27Very low30.3Very low90 Ų90139 Ų13961%0.60873%0.734SS**  trans8867160.4-62.60000120.4
718S31.2Very low30.5Very low98 Ų98138.8 Ų138.869%0.68573%0.733SS**  65.4169.2122.473.90000121.5
719R37.3Very low31.3Very low225 Ų225140 Ų14085%0.84974%0.743SS**  trans74.1150.7172.8-53.8175-176.6-162.9-0.7114.6
720L35.7Very low31.5Very low143 Ų143137 Ų13775%0.74974%0.742SS**  cis-149.5-178.4-19.3-119.5166.9000109.4
721I34Very low31.5Very low144 Ų144136.8 Ų136.874%0.73875%0.749SS**  trans-48.3142172-62.1155.7000111.2
722D33.1Very low31.8Very low164 Ų164140.2 Ų140.288%0.87775%0.754SS**  trans-133.1138.3156.7-128.8-20.1000110
723A32.1Very low31.4Very low75 Ų75140.7 Ų140.762%0.6277%0.765SS**  trans-160.5147.9-179.700000111
724L33Very low31.6Very low164 Ų164140.1 Ų140.186%0.85977%0.767SS**  trans70.8103.3174-51.1178.7000116.7
725D31Very low31.7Very low127 Ų127136.7 Ų136.768%0.67977%0.768SS**  23.6128.4112.2-170.520.6000118.6
726M29.9Very low31.8Very low151 Ų151137.4 Ų137.474%0.74477%0.772SS**  -173.6109.1128.9-99.7-68.4-80.900113.9
727Q31.3Very low32.1Very low151 Ų151136.9 Ų136.971%0.70678%0.775SS**  trans18.9131.2143.4-55.1178.91100123.7
728S31.9Very low32.2Very low109 Ų109138.2 Ų138.276%0.76279%0.785SS**  trans74.6156.4144.4-136.80000119A730S728-A730 PolarHBondContact OG-N 3.46Å
729P43.8Very low32.1Very low123 Ų123136.8 Ų136.880%0.79979%0.786SS**  -139.8143.27837.3-21.4000117.8
730A31.5Very low31.8Very low77 Ų77133.7 Ų133.764%0.63679%0.786SS**  trans48127.8138.100000122.9S728S728-A730 PolarHBondContact OG-N 3.46Å
731H28.2Very low31.6Very low191 Ų191135 Ų13588%0.88479%0.788SS**  trans-84.7151.7151.7-79.3-100.7000111.2
732F32Very low31.5Very low203 Ų203132.6 Ų132.689%0.8978%0.784SS**  trans-107.5170.7165.2-92.3-85.1000112.5
733A30.3Very low31.4Very low98 Ų98130.9 Ų130.981%0.8178%0.78SS**  trans-99.4-179-146.300000117.2
734L30.4Very low32.5Very low168 Ų168132.8 Ų132.888%0.8879%0.786SS**  trans-59.6148.4-179.8-76.5146.9000114.8
735A27.3Very low32.2Very low103 Ų103135.6 Ų135.685%0.85179%0.786SS**  trans-139.7150.6152.800000109.7
736V30.6Very low32.6Very low129 Ų129138.3 Ų138.378%0.78279%0.792SS**  trans-120.2130.2-176.3171.90000109.2
737T31.5Very low33.4Very low141 Ų141137.4 Ų137.487%0.86580%0.798SS**  trans-167.7155.5143.816.30000114.9
738S30Very low33.4Very low118 Ų118133.3 Ų133.383%0.82580%0.796SS**  trans-44.9160.5173.151.70000121.1
739G29Very low33.5Very low69 Ų69135.3 Ų135.371%0.71180%0.803SS**  trans132.8103.2153.600000113.1
740L32.1Very low32.8Very low159 Ų159132.4 Ų132.483%0.83280%0.796SS**  69109.472.3-79.2169.3000116.9
741Q31.4Very low33Very low171 Ų171135.8 Ų135.880%0.79980%0.802SS**  trans63.7125.4140.3-73-177.6-11.200123.3
742S31.6Very low33.1Very low94 Ų94132.8 Ų132.866%0.65779%0.793SS**  trans61119.1133.865.60000123.1
743T31.6Very low33.1Very low128 Ų128130 Ų13079%0.78579%0.788SS**  21.6156.6119.664.30000121.5
744P54.2Low33.1Very low114 Ų114133.2 Ų133.274%0.7479%0.785SS**  cis-141.3-162.3733.4-8.7000116.1
745Y26.2Very low34.3Very low223 Ų223129.6 Ų129.688%0.87577%0.772SS**  trans95.7158.2146-120.8-103.9000122.2
746K40.3Very low34.6Very low184 Ų184131.8 Ų131.880%0.877%0.77SS**  trans-140146.9-179.5-79.7-170.2172.8-170.20111.5
747P47.1Very low34.5Very low132 Ų132133.1 Ų133.186%0.85777%0.769SS**  -139.1-162.6105.931.8-12.4000111.7
748G31Very low35.7Very low66 Ų66130.3 Ų130.368%0.6875%0.754SS**  cis110.1141.8-5.900000115.3
749V33.5Very low35.7Very low150 Ų150131 Ų13191%0.90975%0.748SS**  cis-159.6153.1-7.7-168.10000110
750G28.8Very low35.8Very low62 Ų62135.7 Ų135.764%0.63975%0.749SS**  trans176.5136.2171.200000110.3
751L35.9Very low36Very low148 Ų148133.4 Ų133.478%0.77574%0.742SS**  cis80.613430-48.8169.7000114.5
752D30.1Very low36.1Very low129 Ų129133.4 Ų133.469%0.6974%0.742SS**  cis-168.5168.5-20.3-97.8-15.3000112
753D31.4Very low36Very low145 Ų145134.4 Ų134.478%0.77574%0.744SS**  trans69.8132.4151.4-67.1-23.1000128.8
754E30.5Very low36Very low164 Ų164135.5 Ų135.577%0.76674%0.744SS**  trans70.9174.1136.1-70.9-79.596.600122.8
755P55.8Low34.7Very low93 Ų93140.4 Ų140.460%0.60475%0.748SS**  -149.7174.2-70.747.2-29000121.4
756N34.5Very low34.9Very low149 Ų149135 Ų13580%0.79774%0.742SS**  trans78.9165.5138.1-123.7-33.5000126.6
757M27.2Very low34.4Very low157 Ų157134.4 Ų134.477%0.77374%0.74SS**  trans85.5155.7164.8-63.3-71.2-82.800120.1
758P57.1Low33.4Very low82 Ų82132.6 Ų132.653%0.53273%0.73SS.*  cis-147.5177.6-39.641.8-24.5000118.5
759N31.3Very low33.3Very low132 Ų132137.5 Ų137.571%0.70673%0.73SS**  trans74.7152.6154.9-61.5-38.7000120.4
760K30.7Very low33Very low168 Ų168137.8 Ų137.873%0.7372%0.721SS**  cis-165.6127.8-14-108.3-179.6-178-176.10110.3
761T35.3Very low32.9Very low111 Ų111140.3 Ų140.368%0.68172%0.724SS**  59.6144.2100.465.40000117.6
762E33.9Very low32.4Very low171 Ų171139.6 Ų139.680%0.79973%0.726SS**  cis-164.2172.98.2-124.4169.5166.400111
763T29.6Very low32.4Very low115 Ų115140.6 Ų140.671%0.70673%0.731SS**  171.3132.288.6-61.30000113.9
764L31.9Very low32.2Very low151 Ų151140.3 Ų140.379%0.79173%0.734SS**  trans63.9147.2157-72.1173.8000121.6
765R27.6Very low32.2Very low217 Ų217137.5 Ų137.582%0.81973%0.732SS**  cis-168.9152.5-9.8-162-171.7-156.5-173.95.6113.1
766S28.8Very low32Very low108 Ų108138.3 Ų138.376%0.75574%0.738SS**  trans125.6154.7139.9-52.70000119
767K30.1Very low31.8Very low172 Ų172139.5 Ų139.575%0.74874%0.739SS**  trans-88.7-178.3-167-49.4-179.1174.7-172.40112.8Y769K767-Y769 HydrophobicContact CD-CE2 4.32Å
768S27.5Very low31.9Very low95 Ų95137.3 Ų137.366%0.66474%0.739SS**  cis-167.4145.624.439.30000115.4
769Y26.9Very low30.5Very low169 Ų169136.9 Ų136.966%0.66375%0.749SS**  trans23.7144.9144.5-32.6-63.8000121.8K767K767-Y769 HydrophobicContact CD-CE2 4.32Å
770E29.1Very low30.4Very low156 Ų156135.3 Ų135.373%0.72975%0.754SS**  cis-158.8-132.4-13.2-117.3169.967.100109.7
771T26Very low30.3Very low114 Ų114136.9 Ų136.970%0.69976%0.761SS**  cis-167.7159.94.1-25.60000112.2
772V25Very low30.1Very low134 Ų134137.6 Ų137.681%0.81277%0.765SS**  trans73.3140.7164.7-176.10000119.9
773N30.2Very low29.8Very low149 Ų149137.4 Ų137.480%0.79776%0.762SS**  trans-90.1177-174.4-59.4-60.9000112.9
774V27.8Very low29.9Very low139 Ų139138.6 Ų138.684%0.84276%0.759SS**  -165.2147.859.4165.10000111.6
775S31.1Very low29.8Very low105 Ų105140.4 Ų140.473%0.73476%0.764SS**  trans-76165.6175.5-57.90000113.7
776P49.7Very low30.3Very low111 Ų111135.6 Ų135.672%0.72176%0.76SS**  cis-128.4-149.722.234.5-9.5000112.1
777E31.5Very low30.1Very low174 Ų174134.6 Ų134.681%0.81376%0.759SS**  cis-157.6-155.310.1-151.2161.6-100.600112.7
778S29.6Very low29.9Very low111 Ų111134 Ų13478%0.77676%0.763SS**  trans-73.9157.9-177.657.90000114.8
779G26.6Very low29.7Very low73 Ų73134.9 Ų134.975%0.75377%0.769SS**  cis-160.4-179.46.800000114.2
780A30.6Very low30.3Very low98 Ų98132.9 Ų132.981%0.8178%0.777SS**  trans-65.1140.2-16700000114.8
781K27.9Very low30.3Very low201 Ų201132.8 Ų132.887%0.87478%0.781SS**  63.5140.465.1-90.3-179.5176.9176.40112.6
782V30.1Very low30.4Very low127 Ų127130.5 Ų130.577%0.7778%0.78SS**  cis-143.2166.641172.50000113.3
783K27.8Very low31.2Very low166 Ų166133 Ų13372%0.72278%0.783SS**  trans-145.6158.5177.3-65.2-173.2169.1-790110.3
784H31.6Very low31.4Very low140 Ų140134.9 Ų134.965%0.64879%0.787SS**  cis-171.8153.9-20.3-89.2-29.9000108.9
785Q30.3Very low32.3Very low190 Ų190135 Ų13589%0.88879%0.789SS**  trans63.7173.8162.9-73.5-172.8-3.700117
786P37.9Very low32.7Very low115 Ų115138.5 Ų138.575%0.74779%0.793SS**  cis-132.6173.82.641.9-24.9000118.2
787A25.6Very low32.6Very low88 Ų88143 Ų14373%0.72780%0.802SS**  trans54.6120.1143.900000125.7
788L26.2Very low33.6Very low160 Ų160143.4 Ų143.484%0.83880%0.795SS**  trans60.5122.5130.5-68.6166.6000124.5
789S22.8Very low35.3Very low112 Ų112147.4 Ų147.478%0.78379%0.794SS**  trans63.1166.7148.371.50000119.5
790P38.6Very low36.8Very low128 Ų128149.4 Ų149.483%0.83179%0.791SS**  cis-125.6-148.3-344.4-27.6000114.1
791D29.8Very low38.1Very low153 Ų153150.1 Ų150.182%0.81878%0.781SS**  trans-72164.4179.8-175.928.3000114.4
792G28.3Very low40.1Very low66 Ų66143.6 Ų143.668%0.6876%0.755SS**  trans174.2100.9173.600000115.3Q794G792-Q794 PolarHBondContact O-N 2.95Å
793Q42.5Very low41.9Very low188 Ų188143.2 Ų143.288%0.87975%0.745SS**  trans-73.9119.2169.4-66.7-172.85.500111.9
794Q33.8Very low44Very low187 Ų187139.5 Ų139.587%0.87473%0.732SS**  trans-136.7137.3158-82-165.8-3.800112.5G792 Q796G792-Q794 PolarHBondContact O-N 2.95Å; Q794-Q796 PolarHBondContact O-N 3.13Å
795T45.3Very low45.4Very low143 Ų143138.7 Ų138.788%0.87773%0.728SS**  trans-80.979-17336.10000112.4K797T795-K797 PolarHBondContact O-N 2.96Å
796Q41.4Very low47.1Very low177 Ų177135 Ų13583%0.82771%0.711SS**  trans-60.8122.4166.6-73.8-164.9-2.700110.9Q794 R798Q794-Q796 PolarHBondContact O-N 3.13Å; Q796-R798 VanDerWaalsContact C-N 3.33Å; Q796-R798 PolarHBondContact O-N 2.74Å
797K45.7Very low48.4Very low207 Ų207136 Ų13690%0.970%0.704SS**  trans-65.689.2171.2-68178.6179.7176.10109.7T795T795-K797 PolarHBondContact O-N 2.96Å
798R53.6Low50Low181 Ų181136 Ų13668%0.68369%0.691SS**  trans-56.2141172.3-70.4-176.2177.71730.4110Q796 D802Q796-R798 VanDerWaalsContact C-N 3.33Å; Q796-R798 PolarHBondContact O-N 2.74Å; R798-D802 HydrophobicContact CB-CB 4.38Å
799R64.7Low51.6Low196 Ų196136.1 Ų136.174%0.7469%0.685SS**  trans-75.3152-179.6-51.4-175.6-163.3-160.35.1108.2L801 D802 H803R799-L801 PolarHBondContact O-N 3.44Å; R799-L801 VanDerWaalsContact O-N 3.07Å; R799-D802 PolarHBondContact N-OD2 3.33Å; R799-D802 WeakPolarHBondContact O-CB 3.33Å; R799-D802 PolarHBondContact O-N 2.99Å; R799-H803 PolarHBondContact O-N 3.14Å
800V58.1Low53.1Low114 Ų114136.7 Ų136.769%0.69168%0.679SS**Hα-helixtrans-55.5-31.6178-179.10000111.5D802 H803 I804V800-D802 VanDerWaalsContact C-N 3.3Å; V800-D802 PolarHBondContact O-N 2.91Å; V800-H803 PolarHBondContact O-N 3.28Å; V800-I804 HydrophobicContact CG1-CD1 3.93Å; V800-I804 HydrophobicContact CG1-CG1 4.44Å; V800-I804 WeakPolarHBondContact O-CG1 3.48Å; V800-I804 PolarHBondContact O-N 3.22Å
801L59.3Low53.6Low114 Ų114134.8 Ų134.860%0.59767%0.665SS**Hα-helixtrans-56.5-39.8173.3-149.582.6000113.1R799 I804 Q805R799-L801 PolarHBondContact O-N 3.44Å; R799-L801 VanDerWaalsContact O-N 3.07Å; L801-I804 PolarHBondContact O-N 3.5Å; L801-Q805 WeakPolarHBondContact O-CG 3.48Å; L801-Q805 PolarHBondContact O-N 3.03Å
802D68.1Low54.3Low63 Ų63134 Ų13434%0.33766%0.66SS.*Hα-helixtrans-72-37.3-176.2-47.3-32000110.6R798 R799 V800 Q805 H806R798-D802 HydrophobicContact CB-CB 4.38Å; R799-D802 PolarHBondContact N-OD2 3.33Å; R799-D802 WeakPolarHBondContact O-CB 3.33Å; R799-D802 PolarHBondContact O-N 2.99Å; V800-D802 VanDerWaalsContact C-N 3.3Å; V800-D802 PolarHBondContact O-N 2.91Å; D802-Q805 PolarHBondContact O-N 3.24Å; D802-H806 WeakPolarHBondContact O-CB 3.3Å; D802-H806 PolarHBondContact O-N 2.98Å
803H68.9Low54.7Low119 Ų119141.5 Ų141.555%0.55167%0.669SS**Hα-helixtrans-67.9-40.8173.1-81.5-146.6000111.6R799 V800 H806 F807R799-H803 PolarHBondContact O-N 3.14Å; V800-H803 PolarHBondContact O-N 3.28Å; H803-H806 PolarHBondContact O-N 2.91Å; H803-F807 WeakPolarHBondContact O-CB 3.41Å; H803-F807 PolarHBondContact O-N 2.94Å
804I70.8Confident54.4Low88 Ų88137.6 Ų137.645%0.45166%0.663SS.*Hα-helixtrans-63.2-43.1174.2-69.2167.8000110.7V800 L801 F807 N808V800-I804 HydrophobicContact CG1-CD1 3.93Å; V800-I804 HydrophobicContact CG1-CG1 4.44Å; V800-I804 WeakPolarHBondContact O-CG1 3.48Å; V800-I804 PolarHBondContact O-N 3.22Å; L801-I804 PolarHBondContact O-N 3.5Å; I804-F807 PolarHBondContact O-N 3.49Å; I804-N808 WeakPolarHBondContact O-CB 3.37Å; I804-N808 PolarHBondContact O-N 3.48Å; I804-N808 PolarHBondContact O-ND2 2.89Å
805Q61.4Low54.4Low123 Ų123134.9 Ų134.958%0.57566%0.662SS**Hα-helixtrans-63.9-41.8174.8-74.9-172.79.200112.3L801 D802 N808 K809L801-Q805 WeakPolarHBondContact O-CG 3.48Å; L801-Q805 PolarHBondContact O-N 3.03Å; D802-Q805 PolarHBondContact O-N 3.24Å; Q805-N808 PolarHBondContact O-N 2.9Å; Q805-K809 VanDerWaalsContact O-CB 3.3Å; Q805-K809 WeakPolarHBondContact O-CB 3.37Å; Q805-K809 PolarHBondContact O-N 3.37Å
806H67.2Low53.7Low114 Ų114133.6 Ų133.653%0.52866%0.658SS.*Hα-helixtrans-63.3-45.8177-170.674.7000111.9D802 H803 K809 L810D802-H806 WeakPolarHBondContact O-CB 3.3Å; D802-H806 PolarHBondContact O-N 2.98Å; H803-H806 PolarHBondContact O-N 2.91Å; H806-K809 PolarHBondContact O-N 3.47Å; H806-L810 WeakPolarHBondContact O-CG 3.36Å; H806-L810 PolarHBondContact O-N 3.33Å; H806-L810 VanDerWaalsContact O-N 3.14Å
807F64.3Low53.3Low136 Ų136133.3 Ų133.360%0.59666%0.661SS**Hα-helixtrans-60.7-49.3175.9-173-95.7000111.7H803 I804 K809 L810 T811H803-F807 WeakPolarHBondContact O-CB 3.41Å; H803-F807 PolarHBondContact O-N 2.94Å; I804-F807 PolarHBondContact O-N 3.49Å; F807-K809 PolarHBondContact O-N 3.02Å; F807-L810 WeakPolarHBondContact O-CB 3.4Å; F807-L810 PolarHBondContact O-N 2.91Å; F807-T811 PolarHBondContact O-N 3.49Å; F807-T811 PolarHBondContact O-OG1 3.34Å
808N59.6Low52.8Low86 Ų86128 Ų12846%0.4665%0.65SS.*Hα-helixtrans-60.3-31.8177.2-70.6-18.4000112.9I804 Q805I804-N808 WeakPolarHBondContact O-CB 3.37Å; I804-N808 PolarHBondContact O-N 3.48Å; I804-N808 PolarHBondContact O-ND2 2.89Å; Q805-N808 PolarHBondContact O-N 2.9Å
809K60.2Low51.9Low163 Ų163130.4 Ų130.471%0.70966%0.659SS**Hα-helixtrans-72.7-26.1175.9-162.8171.9-174.5178.10112.8Q805 H806 F807Q805-K809 VanDerWaalsContact O-CB 3.3Å; Q805-K809 WeakPolarHBondContact O-CB 3.37Å; Q805-K809 PolarHBondContact O-N 3.37Å; H806-K809 PolarHBondContact O-N 3.47Å; F807-K809 PolarHBondContact O-N 3.02Å
810L54.4Low50.4Low124 Ų124127.5 Ų127.565%0.64966%0.658SS**Hα-helixtrans-83.2-28.3173.3-68.5169.4000113H806 F807 L812H806-L810 WeakPolarHBondContact O-CG 3.36Å; H806-L810 PolarHBondContact O-N 3.33Å; H806-L810 VanDerWaalsContact O-N 3.14Å; F807-L810 WeakPolarHBondContact O-CB 3.4Å; F807-L810 PolarHBondContact O-N 2.91Å; L810-L812 PolarHBondContact O-N 3.07Å
811T49.1Very low49.4Very low88 Ų88131.3 Ų131.354%0.5467%0.665SS.*SBendtrans-81.7-8.9-175-430000114.6F807F807-T811 PolarHBondContact O-N 3.49Å; F807-T811 PolarHBondContact O-OG1 3.34Å
812L44.1Very low48.3Very low137 Ų137135.4 Ų135.472%0.71768%0.681SS**  trans-12445.7-168-69.5177.7000115.7L810L810-L812 PolarHBondContact O-N 3.07Å
813Y36.8Very low46.7Very low223 Ų223140.4 Ų140.488%0.87571%0.706SS**  trans-124.988.2161.8-86.6-79.2000112.4
814S35.7Very low44.9Very low106 Ų106146.4 Ų146.474%0.74172%0.724SS**SBendtrans-125.1145.8155.259.70000109.1S816S814-S816 PolarHBondContact O-N 3.37Å
815P34.6Very low42.9Very low131 Ų131147.1 Ų147.185%0.85174%0.737SS**PPolyproline II helixtrans-69.1127.3-167-20.933.9000113.2I817P815-I817 PolarHBondContact O-N 2.87Å
816S30Very low42.3Very low116 Ų116146.6 Ų146.681%0.81174%0.744SS**PPolyproline II helixtrans-73.8122.5-177.664.50000113.2S814S814-S816 PolarHBondContact O-N 3.37Å
817I33.2Very low40.6Very low170 Ų170149.7 Ų149.787%0.87276%0.761SS**PPolyproline II helixtrans-83.6144.7159.1-63.1175.5000108.5P815P815-I817 PolarHBondContact O-N 2.87Å
818S34.4Very low39.2Very low96 Ų96152.2 Ų152.267%0.67177%0.772SS**PPolyproline II helixtrans-96.9121.4-159.447.50000116
819R36Very low37.8Very low231 Ų231157.3 Ų157.387%0.87279%0.79SS**  trans68.9144.4153.4-56.8175.9-170.4-176.72.9115.5
820N32.1Very low37.1Very low135 Ų135158 Ų15872%0.72280%0.796SS**  cis-148.114015.2-110.9-25.7000113.3
821K37.5Very low36Very low194 Ų194163.6 Ų163.684%0.84381%0.808SS**  trans20.1120.5149.5-58.1179-179.1-175.70121
822Q35.8Very low35.9Very low201 Ų201165.3 Ų165.394%0.93982%0.819SS**  -162.6178.8105.9-107.9-174.5700111.7
823I34.6Very low35.9Very low167 Ų167164.9 Ų164.986%0.85683%0.825SS**  trans-117.9152.4-158.3-63.2169.3000112.6
824R31.4Very low35.7Very low245 Ų245160.7 Ų160.793%0.92582%0.822SS**  trans116.9152.7151-141.3170-164.3171.14.2115.9
825S29.6Very low36Very low104 Ų104166.3 Ų166.373%0.72783%0.827SS**  trans-134.7-174.3-166.256.70000110.3
826P47.1Very low36.1Very low112 Ų112167.2 Ų167.273%0.72782%0.824SS**  cis-121174.4-43.533.1-18.3000112.5
827M32.5Very low36.4Very low178 Ų178167.6 Ų167.688%0.87782%0.821SS**  trans31.8124.9161.4-71.5-171.371.500121
828K34Very low36.3Very low189 Ų189166.2 Ų166.282%0.82282%0.82SS**  -162.6133126.3-110165-172.8176.80114.4
829F31.3Very low36.5Very low194 Ų194173.1 Ų173.185%0.85183%0.832SS**  trans59.6148.4162-69-69.8000122.7
830Q43.9Very low36.5Very low177 Ų177172.4 Ų172.483%0.82783%0.829SS**  trans-85.8157.4178.2-56166.4-21.200111.4
831R33.1Very low36.6Very low241 Ų241173.9 Ų173.991%0.90984%0.835SS**  -167.5161.7117-103.6162-172.3-177.12.1112
832T46Very low36.3Very low125 Ų125171.3 Ų171.377%0.76783%0.831SS**  trans-85.2139.1-174.238.70000112.6
833P44.8Very low36.1Very low128 Ų128167.2 Ų167.283%0.83182%0.824SS**  trans-86.9113.6165.232.1-29.4000110.6
834V32.8Very low36Very low134 Ų134166.1 Ų166.181%0.81282%0.819SS**  trans-70.1149.5165.4178.20000109
835R40.5Very low35.9Very low225 Ų225161.2 Ų161.285%0.84982%0.817SS**  trans-59.1150173.3-66.7174.8172169.3-2.8110.5
836L38.6Very low35.8Very low150 Ų150160 Ų16079%0.78582%0.82SS**  179.2150.4105.8-91.8166.5000113.9
837T34.5Very low35Very low123 Ų123163.7 Ų163.776%0.75583%0.828SS**  trans35.5120.8152.553.50000121.6
838V31Very low34.8Very low142 Ų142160.3 Ų160.386%0.86182%0.822SS**  trans-116.6120.8149.2178.30000110.1
839R39.3Very low34.7Very low240 Ų240162.7 Ų162.791%0.90683%0.826SS**  trans-133.6105.2153.5-77.3-174.3174.9-175.9-0.2105.5
840R36.5Very low34.9Very low217 Ų217162.7 Ų162.782%0.81983%0.826SS**  82.2101.782.8-178.2-151.1-112.1-172.2-3111.7
841I33Very low34.3Very low165 Ų165159.8 Ų159.885%0.84682%0.822SS**  trans-133.8142.5155.9-62.7-177.5000107.5
842N32.8Very low33.9Very low141 Ų141153.5 Ų153.575%0.75482%0.815SS**  trans-109.1132.2174.1-72.6-8.4000109.9
843S31.1Very low33Very low114 Ų114157.3 Ų157.380%0.79782%0.821SS**  trans171.4154.6152-85.70000109.7
844L32.5Very low32.3Very low144 Ų144158.9 Ų158.975%0.75482%0.822SS**  cis-174.8158-33-123.8171.3000105.8
845T28.1Very low33.2Very low142 Ų142157.4 Ų157.487%0.87181%0.814SS**  trans65155.5177.972.60000116.4
846G28Very low32.4Very low78 Ų78155.2 Ų155.280%0.80481%0.814SS**  trans125.398.7-174.200000112
847E30Very low31.9Very low190 Ų190155.5 Ų155.589%0.88882%0.815SS**  trans-81.5146.6-175.4-58.516798.900112.8
848S29.5Very low31.7Very low108 Ų108154 Ų15476%0.75582%0.816SS**  174.7138.9118.844.30000114.9
849R30.8Very low31.8Very low238 Ų238151.4 Ų151.490%0.89881%0.809SS**  trans39.8103143.8-57.9175.8-174.6174.62118.9
850K35.9Very low31.4Very low195 Ų195145.6 Ų145.685%0.84881%0.805SS**  trans-79.8153.3132.1-76-174.9177178.80108.9
851P32Very low31.1Very low116 Ų116143.6 Ų143.675%0.75381%0.81SS**  -136.2130.3104.335.7-25.8000113.4
852S24.2Very low31.1Very low109 Ų109140.8 Ų140.876%0.76281%0.811SS**  trans-85.9115.5160.148.60000109
853K26.7Very low31Very low205 Ų205137.5 Ų137.589%0.89181%0.81SS**  trans-82.7124.1173.9-78.4-169174.8-174.10111.5
854L30.8Very low31Very low161 Ų161141.6 Ų141.684%0.84382%0.817SS**  trans-165.7148.2163.3-105170.3000106.1
855P51.3Low30.9Very low102 Ų102140.6 Ų140.666%0.66282%0.816SS**  cis-114.2-144.5-20.339.6-23.9000109.7
856E24.5Very low30.9Very low179 Ų179139.5 Ų139.584%0.83681%0.81SS**  129154.7127.6-150.3124.5-113.900115.3
857L27.4Very low31Very low156 Ų156145.2 Ų145.282%0.81781%0.812SS**  trans-143.4137.7-158.5-128171.4000108.4
858A30.9Very low31Very low92 Ų92140.3 Ų140.376%0.7680%0.804SS**  trans67.3151.6162.200000117.9
859A32.1Very low31Very low88 Ų88142 Ų14273%0.72781%0.81SS**  cis-169-178.1-18.900000110.8
860S31.4Very low30.9Very low117 Ų117134.9 Ų134.982%0.81880%0.796SS**  trans86.5122.2156.973.50000118.4
861L30.4Very low31Very low176 Ų176132.8 Ų132.892%0.92179%0.794SS**  trans-91.7147156.9-8168.2000108.6
862A31.8Very low31.1Very low106 Ų106134.1 Ų134.188%0.87679%0.79SS**  trans-145.4127.3141.300000107.1
863G31.6Very low31.5Very low71 Ų71134.8 Ų134.873%0.73279%0.789SS**  trans-98154.2-174.900000113.1
864H31.3Very low31.6Very low201 Ų201128.2 Ų128.293%0.93178%0.78SS**  trans-137.3166.6161.4-109-95.4000109.9
865V29.8Very low31.8Very low123 Ų123128.3 Ų128.375%0.74578%0.78SS**  trans-115.2155.5-150.7168.20000113.5
866T28.8Very low30.8Very low119 Ų119128.5 Ų128.573%0.7378%0.784SS**  trans81.712716331.80000122.6
867K30.4Very low32.4Very low197 Ų197125.9 Ų125.986%0.85778%0.783SS**  trans83.2103.1139.8-72.7176.8178.7-176.90122.2
868A29.8Very low32.7Very low88 Ų88126.6 Ų126.673%0.72778%0.781SS**  89.1131.7112.200000122.5
869V28.6Very low33.6Very low144 Ų144126.8 Ų126.887%0.87378%0.775SS**  trans68.3142138.3164.90000119
870S29.8Very low33.7Very low88 Ų88130 Ų13062%0.61578%0.775SS**  cis-175.1161-24.7-1580000110.4
871L36.9Very low33.6Very low151 Ų151131.5 Ų131.579%0.79177%0.773SS**  trans65.6162163.8-57.2179.1000116.9
872E34.3Very low33.5Very low144 Ų144134.1 Ų134.167%0.67377%0.771SS**  cis-159.6-172.2-6.9-117.5-74.5133.100111.9
873T34.1Very low34.3Very low122 Ų122134.4 Ų134.475%0.74876%0.764SS**  trans-32.8171176.438.40000121.8
874G28.6Very low34.2Very low67 Ų67139 Ų13969%0.69177%0.766SS**  cis164.5164.6-5.700000116.3
875L34Very low34Very low163 Ų163137.1 Ų137.185%0.85376%0.761SS**  trans59.4105.1153.6-58.3177.1000125.8
876S30.2Very low33.9Very low106 Ų106134.8 Ų134.874%0.74176%0.762SS**  59.6179.5120.987.40000122.6
877P58.5Low33.7Very low124 Ų124140.8 Ų140.881%0.80577%0.771SS**  cis-132.5-160.8-20.338.7-18.8000115.1
878H32.9Very low33.6Very low171 Ų171137 Ų13779%0.79277%0.769SS**  trans-106.8166.5-178177.854.1000112.3
879P51Low33.7Very low96 Ų96140.6 Ų140.662%0.62378%0.777SS**  -163.3154.1110.941.1-20.7000121
880Q34.3Very low33.8Very low157 Ų157139 Ų13973%0.73477%0.771SS**  trans64.5169.2132-68.5177.83.600122.2
881L29.7Very low33.8Very low148 Ų148141.4 Ų141.478%0.77578%0.783SS**  cis-150.4-150.13.5-131.2165.9000114.5
882R28.2Very low33.4Very low231 Ų231138.7 Ų138.787%0.87278%0.782SS**  trans-150.1-175.4-166.6-86.1179.9169-176.9-3.9111
883P47.4Very low33.7Very low112 Ų112137.5 Ų137.573%0.72779%0.787SS**  cis-142.717115.750.7-31.2000117.3
884Q29.2Very low33.9Very low167 Ų167138.6 Ų138.678%0.7879%0.794SS**  83.1146.2101.4-78.6-74.321.700123.3
885I28.5Very low34.1Very low161 Ų161145 Ų14583%0.82680%0.802SS**  trans71.8137.6154.7-68.1154.3000121.7
886G26.2Very low34.4Very low74 Ų74146.8 Ų146.876%0.76380%0.803SS**  trans163.674.3161.700000121.8
887R26.1Very low35.1Very low245 Ų245147.4 Ų147.493%0.92581%0.805SS**  trans-1.4153.9160.6-86.3-178.5170.3-178.2-2.1124.8
888S27.2Very low34.6Very low117 Ų117147.4 Ų147.482%0.81881%0.805SS**  trans109.4159.1133.976.30000121.3
889N32.6Very low35.4Very low165 Ų165145 Ų14588%0.88280%0.804SS**  trans-124143-168.5-57.8-28.4000112.7
890S29.7Very low34.6Very low109 Ų109147.1 Ų147.176%0.76282%0.815SS**  trans-158.8130.1151.855.20000109
891T30Very low35.5Very low140 Ų140145 Ų14586%0.85982%0.815SS**  77.2144.662.3-38.80000114
892A29.5Very low36.5Very low93 Ų93143.9 Ų143.977%0.76982%0.817SS**  trans85.7160.9176.800000115.8
893P39.4Very low36.6Very low119 Ų119142.7 Ų142.777%0.77382%0.818SS**  -127.7165.7-116.425.1-1.7000116.5K895P893-K895 PolarHBondContact O-N 2.77Å
894T38.1Very low35.8Very low146 Ų146149 Ų14990%0.89683%0.827SS**  trans-72.2122.9-179.440.50000113.4
895K32.4Very low35.8Very low200 Ų200149.5 Ų149.587%0.8783%0.834SS**  trans-123152.3168.7-80.9-174.8175.4178.30111.7P893P893-K895 PolarHBondContact O-N 2.77Å
896K40.3Very low35.9Very low201 Ų201146.5 Ų146.587%0.87483%0.828SS**  trans-81.3151.2-173-50.3171.4-176.4175.50112.4
897P44.9Very low36.1Very low119 Ų119149.5 Ų149.577%0.77383%0.831SS**  trans-94.6158.6142.734.8-29.6000111.6
898P49.1Very low36.3Very low124 Ų124145.2 Ų145.281%0.80583%0.826SS**  trans-120.3-155.7-16250.4-36.3000111.5
899P50.2Low37.2Very low121 Ų121144.7 Ų144.779%0.78682%0.819SS**  trans-120.1171.8-136.327.1-2.1000116.2
900V34.5Very low36.9Very low140 Ų140146.6 Ų146.685%0.84881%0.814SS**  trans-135.3137.5167.4-178.80000109
901P51.8Low36.8Very low113 Ų113149.8 Ų149.873%0.73482%0.815SS**  trans-97168-154.537.6-37.9000116.1
902P50.4Low37.4Very low125 Ų125151.3 Ų151.381%0.81282%0.816SS**  trans-80.9169.1-179.334.6-38000113.9
903K30.9Very low37.7Very low206 Ų206156.3 Ų156.390%0.89682%0.821SS**  trans-125.6129.7163.9-74.4-171.8175.3-176.90111.8
904R31.1Very low38.2Very low244 Ų244156.2 Ų156.292%0.92182%0.82SS**  trans-128.1174.2161.7-105.7-168.5178.6-165.42.1107.9
905L29.4Very low38Very low178 Ų178154.6 Ų154.693%0.93281%0.814SS**  trans77.9154.8174.4-64.4167.4000116.8
906S30.2Very low38Very low98 Ų98148.8 Ų148.869%0.68580%0.803SS**  trans-105.5156-16248.30000112.2
907T30Very low37.8Very low136 Ų136147.2 Ų147.283%0.83480%0.803SS**  -174171.1129.317.50000112.2
908L29.9Very low37.3Very low155 Ų155144.7 Ų144.781%0.81280%0.799SS**  trans-63-178.3169.2-61.3102.5000112.9
909P46.9Very low36.7Very low106 Ų106145.8 Ų145.869%0.68880%0.798SS**  cis-134.8-160.2-19.718.58.6000112.8
910R26.7Very low36.1Very low205 Ų205147.7 Ų147.777%0.77480%0.798SS**  trans105.3113.2140.3-76-176169.9-178-0.5121.2
911K26.7Very low36.1Very low177 Ų177146 Ų14677%0.7779%0.788SS**  74.2118.8123.8-69.5-176.2173.7-174.50121.7
912L42.3Very low35.5Very low171 Ų171146.9 Ų146.990%0.89579%0.787SS**  trans-70.1151.6145.3-67.7156.7000112.1
913K35.9Very low34.7Very low199 Ų199149.5 Ų149.587%0.86579%0.785SS**  trans173.3170.4154.4-104.7-166.2177.1-162.70109.2
914P49.9Very low34.6Very low117 Ų117146 Ų14676%0.7678%0.781SS**  cis-93.7-146.4-16.940.1-31.9000109.5
915C34Very low34.8Very low112 Ų112142.8 Ų142.876%0.75778%0.777SS**  cis-157.2179.5-10.6-135.80000106.7
916A32.8Very low35.5Very low77 Ų77139.8 Ų139.864%0.63677%0.768SS**  cis-142.5134.6-6.900000107.3
917L35.6Very low35.7Very low169 Ų169142.3 Ų142.389%0.88577%0.774SS**  58.9125.8106.5-58.5172.7000115.2
918G35.8Very low36.4Very low66 Ų66141.9 Ų141.968%0.6877%0.773SS**  cis-144.5-161.5-400000110.2
919D36.6Very low36.5Very low146 Ų146144 Ų14478%0.78178%0.776SS**  cis-161.6164.6-0.8-127.3-39.9000111.2
920M35.9Very low35.7Very low161 Ų161144.5 Ų144.579%0.79378%0.776SS**  trans38.4142.7155.5-54.9-131.8113.200121.8
921T36.3Very low35.5Very low104 Ų104143 Ų14364%0.63878%0.778SS**  cis-161.7157.811.7-2.80000112.9
922N37.5Very low35.6Very low133 Ų133139 Ų13971%0.71177%0.773SS**  trans9.8148.6147.5-67.1-30.4000121.9
923K34.9Very low35.2Very low179 Ų179138.9 Ų138.978%0.77877%0.773SS**  cis-161.4171.3-17.2-86.9-163-175.3-177.50105.7
924V28.2Very low35.7Very low133 Ų133134.2 Ų134.281%0.80676%0.763SS**  -168.7156.357.3168.50000109.8
925Q34.8Very low34.8Very low177 Ų177134.3 Ų134.383%0.82777%0.766SS**  trans-132.7161.9159.5-96.8-167.514.500107.2
926P45.7Very low34.7Very low115 Ų115133.2 Ų133.275%0.74777%0.766SS**  cis-148.8-164.540.442.4-20.3000116.7
927N33.5Very low34.7Very low151 Ų151135.1 Ų135.181%0.80777%0.769SS**  trans-62.6168.1164.9-60.4-28.6000112.8
928P44.9Very low34.5Very low127 Ų127133.4 Ų133.483%0.82576%0.756SS**  -129.5168.5117.137.7-31.6000114.4
929K32.3Very low34.4Very low200 Ų200138.5 Ų138.587%0.8776%0.76SS**  trans-102.2158.5158.3-72.4-178.8171.8-174.40108.4
930V29.1Very low35Very low115 Ų115136.5 Ų136.570%0.69776%0.755SS**  trans166.8132.6133.7146.70000110.2
931E23.8Very low34.9Very low174 Ų174135.7 Ų135.781%0.81375%0.752SS**  trans53.1171.9158-75.3151-158.400118.9
932S28.2Very low34.8Very low94 Ų94137.6 Ų137.666%0.65776%0.757SS**  cis-165.3143.9-33.252.70000109.4
933D33.6Very low34.6Very low167 Ų167138.9 Ų138.989%0.89376%0.761SS**  trans-71.7146162.1-63.4-46000110.6
934P46Very low34.6Very low101 Ų101137.7 Ų137.766%0.65676%0.758SS**  -150.8150.812936-19.8000117.1
935S30.9Very low34.9Very low119 Ų119139 Ų13983%0.83276%0.755SS**  trans67.3148.5156.674.30000117.3
936A32.9Very low34.7Very low90 Ų90136.1 Ų136.174%0.74475%0.749SS**  cis-155.6179.413.300000109
937V32Very low33.9Very low117 Ų117135.2 Ų135.271%0.70975%0.751SS**  cis179.3136.4-22.8139.70000104.4
938Q31.3Very low33.9Very low132 Ų132132.7 Ų132.762%0.61775%0.752SS**  cis-161.5149.8-9.9-111.417888.100109.2
939K33.7Very low33.4Very low173 Ų173136 Ų13675%0.75276%0.757SS**  trans68.3156.8147-72.6170.8174.2154.40120.1
940P50.4Low33.3Very low105 Ų105133.9 Ų133.968%0.68275%0.754SS**  cis-142.9-172.1-33.641.4-23.8000114.7
941I32.8Very low33.7Very low144 Ų144136.9 Ų136.974%0.73876%0.763SS**  trans82.2104.9157.7-63.3168.4000119.4
942I33.3Very low34Very low144 Ų144133.8 Ų133.874%0.73876%0.761SS**  53.2118.1128.2-52.5179.5000121.8
943M34.6Very low34.3Very low160 Ų160138.3 Ų138.379%0.78877%0.771SS**  trans80.8150.5148.1-79.2177.971.800124.5
944Q34.4Very low34.2Very low154 Ų154137.9 Ų137.972%0.7276%0.758SS**  trans95.577.9144.6-142.1153.87.500122.1
945Q34.2Very low33.5Very low161 Ų161145.1 Ų145.175%0.75277%0.772SS**  52.3144.8105.8-152.7-162.5-23.100121.7
946V30.6Very low33.5Very low115 Ų115142.1 Ų142.170%0.69776%0.76SS**  trans106.3126.4152-174.70000118.5
947A30.3Very low34.1Very low96 Ų96141.7 Ų141.779%0.79375%0.752SS**  trans59.7143.6156.100000121.7
948A31.9Very low35Very low99 Ų99141.5 Ų141.582%0.81875%0.753SS**  trans-105154.416600000110.3
949E34.5Very low35.2Very low197 Ų197144.9 Ų144.992%0.92176%0.76SS**  trans-87.5166.5-165-59.8-177.9117.100115.5
950N30.7Very low35.5Very low154 Ų154144.1 Ų144.182%0.82476%0.764SS**  trans-103.6128.1175.6-82.6-60.2000113.2
951M36.8Very low35.3Very low179 Ų179144.1 Ų144.188%0.88276%0.764SS**  trans49.3114.3142.9-63.8-159.570.100122.1
952S31.3Very low35.7Very low109 Ų109145.7 Ų145.776%0.76277%0.773SS**  trans-146.2155.4146.170.80000108.9
953H33.6Very low36Very low189 Ų189144.9 Ų144.988%0.87577%0.771SS**  cis-152.3-177.7-11.5-134.158.4000109.4
954Y31.3Very low36.5Very low157 Ų157145.9 Ų145.962%0.61677%0.773SS**  trans-127.6130.3-173.9178.1-90000115.2G956Y954-G956 PolarHBondContact OH-O 2.87Å
955R32.3Very low36.7Very low253 Ų253142.6 Ų142.696%0.95578%0.78SS**  trans-163.8102.9147.7-111.6-174.3-169.1-89.92.2111.5
956G31Very low37Very low57 Ų57142.7 Ų142.759%0.58878%0.781SS**  trans174.5123.2174.900000111.3Y954Y954-G956 PolarHBondContact OH-O 2.87Å
957S45.9Very low37.9Very low81 Ų81145.5 Ų145.557%0.56679%0.791SS**  trans-121.8168.7-168.5-1220000111.2
958P50.5Low38.4Very low113 Ų113148.1 Ų148.173%0.73479%0.791SS**  cis-132.5127.76.829.1-6.7000117.5
959R34.8Very low38.7Very low203 Ų203148.5 Ų148.577%0.76679%0.787SS**  49.384.9120.8-58.8176.1175.6-171.9-5.1119.3
960N40.9Very low39.5Very low157 Ų157144.1 Ų144.184%0.8479%0.785SS**  -173.379106.5-97.61.2000111.8
961P45.5Very low40.4Very low105 Ų105142.3 Ų142.368%0.68278%0.78SS**  trans-72.4128.116231.3-31.4000109.5N963P961-N963 PolarHBondContact O-N 3.22Å
962L40.3Very low40.5Very low177 Ų177143.3 Ų143.393%0.92778%0.779SS**  trans-74.4105.6173.6-73173.1000109.8
963N40.7Very low41.3Very low127 Ų127143.7 Ų143.768%0.67978%0.779SS**  trans-72.5165.4166.3-70.8-33.1000110.7P961P961-N963 PolarHBondContact O-N 3.22Å
964H44.9Very low41.5Very low181 Ų181140.9 Ų140.984%0.83878%0.775SS**  trans73.977-178.4-47.7-74.7000115.6Q966H964-Q966 PolarHBondContact O-N 3.04Å
965G39Very low42Very low85 Ų85140.8 Ų140.888%0.87679%0.785SS**  trans-70.897.9150.500000109.7
966Q40.7Very low42.6Very low163 Ų163140.3 Ų140.376%0.76280%0.8SS**  trans-85.2112.3173.9-171.5171.59.600110H964 L968H964-Q966 PolarHBondContact O-N 3.04Å; Q966-L968 PolarHBondContact O-N 3.45Å
967L48.2Very low43.2Very low173 Ų173144.5 Ų144.591%0.90681%0.811SS**  trans-71107.4170.5-71170.6000109.2
968L42.3Very low43.1Very low151 Ų151147.8 Ų147.879%0.79182%0.824SS**  trans-76.2121.6168.8-67.6177.3000109.5Q966Q966-L968 PolarHBondContact O-N 3.45Å
969S37.2Very low42.7Very low107 Ų107149.7 Ų149.775%0.74883%0.829SS**  trans-71.3140.4179.141.50000111.8T971S969-T971 PolarHBondContact O-N 3.34Å
970A52Low43.1Very low106 Ų106146.6 Ų146.688%0.87683%0.832SS**SBendtrans-81.276.2-17000000113.4
971T48.3Very low43.3Very low116 Ų116145.9 Ų145.971%0.71283%0.832SS**  trans-146.888.6168.548.10000113.5S969S969-T971 PolarHBondContact O-N 3.34Å
972K39.2Very low43.1Very low199 Ų199148.7 Ų148.787%0.86584%0.842SS**  trans-174.7149.3139-102.6161.6-175.2-177.70110.5
973P47.7Very low43.3Very low117 Ų117146.6 Ų146.676%0.7684%0.836SS**  trans-75.8165.1178.133.3-35.4000111.9
974V39.7Very low43.5Very low130 Ų130148.2 Ų148.279%0.78885%0.848SS**  trans-113.3120.9169.2173.50000107
975D41.3Very low43.4Very low156 Ų156145.4 Ų145.483%0.83485%0.849SS**  trans-72155.1168-75.2-52.8000110.9
976L45.4Very low43.8Very low242 Ų242150.9 Ų150.9100%1.26785%0.846SS**  trans-108.60-175-73.3173.5000112.7

Retrieved 976 of 976 residues in 360.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).