A0A087YM70_POEFO Loading...

Protein fem-1 homolog C

AlphaFold DB , UniProt , Accession A0A087YM70, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 621 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M59.8Low90.9Very high178 Ų17845.5 Ų45.588%0.87724%0.239SC*.  0127.40-173.6179-68.800106.3T5 A6 N9M1-T5 HydrophobicContact CG-CG2 3.97Å; M1-T5 HydrophobicContact SD-CG2 4.16Å; M1-A6 HydrophobicContact SD-CB 4.23Å; M1-N9 PolarHBondContact SD-ND2 3.12Å; M1-N9 VanDerWaalsContact SD-ND2 3.41Å
2D89.6Confident91.4Very high106 Ų10648.4 Ų48.457%0.56724%0.244SC*.  trans-62.2147.6177.4-179.219000110.5K4 T5 A6D2-K4 VanDerWaalsContact C-N 3.27Å; D2-K4 PolarHBondContact O-N 2.77Å; D2-T5 PolarHBondContact O-N 3.05Å; D2-T5 VanDerWaalsContact O-N 3.09Å; D2-A6 PolarHBondContact O-N 2.8Å
3L90.2Very high91.9Very high49 Ų4949.5 Ų49.526%0.25725%0.251SS..Hα-helixtrans-55.8-43.1-176.3177.462.9000111.2T5 A6 V7 L22 K26 L34L3-T5 VanDerWaalsContact C-N 3.34Å; L3-T5 PolarHBondContact O-N 3.05Å; L3-A6 WeakPolarHBondContact O-CB 3.48Å; L3-A6 PolarHBondContact O-N 3.05Å; L3-A6 VanDerWaalsContact O-N 3.14Å; L3-V7 HydrophobicContact CD1-CG2 4.26Å; L3-V7 HydrophobicContact CG-CG2 4.45Å; L3-V7 WeakPolarHBondContact O-CG2 3.49Å; L3-V7 PolarHBondContact O-N 2.96Å; L3-L22 HydrophobicContact CD1-CB 4.22Å; L3-L22 HydrophobicContact CD1-CD2 4.11Å; L3-K26 HydrophobicContact CD2-CD 4.43Å; L3-L34 HydrophobicContact CD2-CD1 3.98Å; L3-L34 HydrophobicContact CG-CD1 4.43Å
4K92Very high92.2Very high53 Ų5348.1 Ų48.123%0.2326%0.255CS..Hα-helixtrans-53-50.5174.9176-169.2-178.31540112.1D2 A6 V7 Y8 L34 E37 K38 T39D2-K4 VanDerWaalsContact C-N 3.27Å; D2-K4 PolarHBondContact O-N 2.77Å; K4-A6 VanDerWaalsContact C-N 3.32Å; K4-A6 PolarHBondContact O-N 3.47Å; K4-V7 PolarHBondContact O-N 3.13Å; K4-Y8 WeakPolarHBondContact O-CB 2.92Å; K4-Y8 PolarHBondContact O-N 3.16Å; K4-L34 HydrophobicContact CB-CD2 4.32Å; K4-E37 HydrophobicContact CD-CB 4.5Å; K4-E37 VanDerWaalsContact CD-OE2 3.26Å; K4-E37 WeakPolarHBondContact CD-OE2 3.48Å; K4-E37 WeakPolarHBondContact CE-OE2 3.36Å; K4-E37 IonicContact NZ-OE2 2.71Å; K4-E37 PolarHBondContact NZ-OE2 3.41Å; K4-K38 WeakPolarHBondContact CE-O 3.44Å; K4-K38 PolarHBondContact NZ-O 3.39Å; K4-T39 VanDerWaalsContact CE-OG1 3.23Å; K4-T39 WeakPolarHBondContact CE-OG1 3.32Å
5T93.8Very high92.5Very high46 Ų4651.7 Ų51.728%0.28227%0.268SS..Hα-helixtrans-67-35.5179.7-49.70000111.4M1 D2 L3 N9 T39M1-T5 HydrophobicContact CG-CG2 3.97Å; M1-T5 HydrophobicContact SD-CG2 4.16Å; D2-T5 PolarHBondContact O-N 3.05Å; D2-T5 VanDerWaalsContact O-N 3.09Å; L3-T5 VanDerWaalsContact C-N 3.34Å; L3-T5 PolarHBondContact O-N 3.05Å; T5-N9 WeakPolarHBondContact O-CB 3.38Å; T5-N9 PolarHBondContact O-N 3.32Å; T5-N9 PolarHBondContact O-ND2 3.09Å; T5-T39 HydrophobicContact CG2-CG2 4.49Å
6A94.4Very high92.7Very high21 Ų2151.1 Ų51.117%0.17427%0.265CS..Hα-helixtrans-66.1-44.7176.200000112.1M1 D2 L3 K4 N9 A10 L22M1-A6 HydrophobicContact SD-CB 4.23Å; D2-A6 PolarHBondContact O-N 2.8Å; L3-A6 WeakPolarHBondContact O-CB 3.48Å; L3-A6 PolarHBondContact O-N 3.05Å; L3-A6 VanDerWaalsContact O-N 3.14Å; K4-A6 VanDerWaalsContact C-N 3.32Å; K4-A6 PolarHBondContact O-N 3.47Å; A6-N9 PolarHBondContact O-N 3.32Å; A6-A10 WeakPolarHBondContact O-CB 3.36Å; A6-A10 PolarHBondContact O-N 2.94Å; A6-L22 HydrophobicContact CB-CD1 3.92Å; A6-L22 HydrophobicContact CB-CD2 4.39Å
7V94.8Very high92.9Very high1 Ų160.8 Ų60.81%0.00630%0.297CS..Hα-helixtrans-59.5-49174164.40000110.7L3 K4 N9 A10 A11 L19 L22 L23 M35 P44L3-V7 HydrophobicContact CD1-CG2 4.26Å; L3-V7 HydrophobicContact CG-CG2 4.45Å; L3-V7 WeakPolarHBondContact O-CG2 3.49Å; L3-V7 PolarHBondContact O-N 2.96Å; K4-V7 PolarHBondContact O-N 3.13Å; V7-N9 PolarHBondContact O-N 3.26Å; V7-A10 PolarHBondContact O-N 3.37Å; V7-A11 PolarHBondContact O-N 3.25Å; V7-L19 HydrophobicContact CB-CD1 4.28Å; V7-L19 HydrophobicContact CG1-CD1 3.79Å; V7-L19 HydrophobicContact CG2-CD1 4.33Å; V7-L22 HydrophobicContact CG2-CB 4.33Å; V7-L22 HydrophobicContact CG2-CD1 4.34Å; V7-L23 HydrophobicContact CG2-CD2 4.06Å; V7-M35 HydrophobicContact CG1-CE 3.56Å; V7-P44 HydrophobicContact CG1-CB 4.44Å; V7-P44 HydrophobicContact CG1-CG 3.94Å
8Y95.6Very high93.1Very high14 Ų1461.9 Ų61.96%0.05530%0.304CS..Hα-helixtrans-57.4-49.3176.4171.3-92.5000112.3K4 A10 A11 R12 T39 A42 M47K4-Y8 WeakPolarHBondContact O-CB 2.92Å; K4-Y8 PolarHBondContact O-N 3.16Å; Y8-A10 VanDerWaalsContact C-N 3.34Å; Y8-A10 PolarHBondContact O-N 3.15Å; Y8-A11 PolarHBondContact O-N 3.49Å; Y8-R12 WeakPolarHBondContact O-CB 3.24Å; Y8-R12 PolarHBondContact O-N 2.9Å; Y8-T39 HydrophobicContact CD1-CG2 3.91Å; Y8-T39 HydrophobicContact CD2-CG2 4.41Å; Y8-T39 HydrophobicContact CE1-CG2 4.32Å; Y8-T39 VanDerWaalsContact CE2-O 3.24Å; Y8-T39 WeakPolarHBondContact CE2-O 3.28Å; Y8-T39 HydrophobicContact CG-CG2 3.96Å; Y8-A42 HydrophobicContact CE2-CB 4.01Å; Y8-M47 HydrophobicContact CD2-CG 4.11Å; Y8-M47 HydrophobicContact CE2-CG 3.36Å; Y8-M47 HydrophobicContact CE2-SD 4.08Å; Y8-M47 PolarHBondContact OH-SD 3.11Å; Y8-M47 VanDerWaalsContact OH-SD 3.36Å
9N96.4Very high93.2Very high32 Ų3258.7 Ų58.717%0.17129%0.288CS..Hα-helixtrans-64.7-38.7179.2-73.9-29.4000111.8M1 T5 A6 V7 R12 D13M1-N9 PolarHBondContact SD-ND2 3.12Å; M1-N9 VanDerWaalsContact SD-ND2 3.41Å; T5-N9 WeakPolarHBondContact O-CB 3.38Å; T5-N9 PolarHBondContact O-N 3.32Å; T5-N9 PolarHBondContact O-ND2 3.09Å; A6-N9 PolarHBondContact O-N 3.32Å; V7-N9 PolarHBondContact O-N 3.26Å; N9-R12 PolarHBondContact O-N 3.47Å; N9-R12 PolarHBondContact OD1-NH1 3.02Å; N9-D13 VanDerWaalsContact O-CB 3.28Å; N9-D13 WeakPolarHBondContact O-CB 3.48Å; N9-D13 PolarHBondContact O-N 3.02Å
10A96.9Very high93.2Very high1 Ų159.7 Ų59.71%0.00829%0.292CS..Hα-helixtrans-63.7-42.2176.300000111.6A6 V7 Y8 G14 K15 L18 L19 L22A6-A10 WeakPolarHBondContact O-CB 3.36Å; A6-A10 PolarHBondContact O-N 2.94Å; V7-A10 PolarHBondContact O-N 3.37Å; Y8-A10 VanDerWaalsContact C-N 3.34Å; Y8-A10 PolarHBondContact O-N 3.15Å; A10-G14 PolarHBondContact O-N 2.99Å; A10-G14 VanDerWaalsContact O-N 3.16Å; A10-K15 HydrophobicContact CB-CB 4.4Å; A10-K15 PolarHBondContact O-N 3.34Å; A10-L18 HydrophobicContact CB-CD2 4.19Å; A10-L18 HydrophobicContact CB-CG 4.3Å; A10-L19 HydrophobicContact CB-CB 4.2Å; A10-L19 HydrophobicContact CB-CD1 4.4Å; A10-L22 HydrophobicContact CB-CD1 4.36Å
11A96.5Very high93.3Very high0 Ų064.3 Ų64.30%031%0.311CS..Hα-helixtrans-66.5-44.8176.300000112.5V7 Y8 D13 G14 P44 H53 L56 L60V7-A11 PolarHBondContact O-N 3.25Å; Y8-A11 PolarHBondContact O-N 3.49Å; A11-D13 VanDerWaalsContact C-N 3.33Å; A11-D13 PolarHBondContact O-N 2.95Å; A11-G14 PolarHBondContact O-N 3.44Å; A11-P44 HydrophobicContact CB-CB 3.66Å; A11-H53 PolarHBondContact O-CD2 3.46Å; A11-H53 VanDerWaalsContact O-CD2 3.3Å; A11-L56 HydrophobicContact CB-CD2 3.68Å; A11-L60 HydrophobicContact CB-CD1 4.48Å
12R97.1Very high94.9Very high80 Ų8058.1 Ų58.130%0.30228%0.281SS..Hα-helixtrans-59.7-41.9176.5-172-162.765.5-159.7-5.9112.7Y8 N9 G14 M47 Y51 H53Y8-R12 WeakPolarHBondContact O-CB 3.24Å; Y8-R12 PolarHBondContact O-N 2.9Å; N9-R12 PolarHBondContact O-N 3.47Å; N9-R12 PolarHBondContact OD1-NH1 3.02Å; R12-G14 VanDerWaalsContact C-N 3.33Å; R12-M47 HydrophobicContact CB-CB 3.95Å; R12-M47 HydrophobicContact CB-CG 4.32Å; R12-M47 HydrophobicContact CG-CB 4.23Å; R12-M47 HydrophobicContact CG-CG 4.41Å; R12-M47 HydrophobicContact CG-SD 4.37Å; R12-Y51 HydrophobicContact CG-CD2 3.83Å; R12-Y51 HydrophobicContact CG-CE2 3.49Å; R12-Y51 VanDerWaalsContact CG-CE2 3.49Å; R12-H53 PolarHBondContact O-CD2 3.03Å; R12-H53 PolarHBondContact O-NE2 3.19Å
13D97.1Very high95.1Very high62 Ų6253.5 Ų53.533%0.33226%0.256SS..THydrogen-bonded Turntrans-87.60.7-176.7-61.9-5.8000113.1N9 A11 K15N9-D13 VanDerWaalsContact O-CB 3.28Å; N9-D13 WeakPolarHBondContact O-CB 3.48Å; N9-D13 PolarHBondContact O-N 3.02Å; A11-D13 VanDerWaalsContact C-N 3.33Å; A11-D13 PolarHBondContact O-N 2.95Å; D13-K15 HydrophobicContact CB-CD 4.01Å; D13-K15 HydrophobicContact CB-CG 4.04Å; D13-K15 PolarHBondContact O-N 2.99Å; D13-K15 IonicContact OD2-NZ 2.8Å; D13-K15 PolarHBondContact OD2-NZ 3.14Å
14G96.5Very high95Very high30 Ų3058 Ų5831%0.30928%0.276SS..THydrogen-bonded Turntrans73.222.7179.100000114.8A10 A11 R12 L16 H53A10-G14 PolarHBondContact O-N 2.99Å; A10-G14 VanDerWaalsContact O-N 3.16Å; A11-G14 PolarHBondContact O-N 3.44Å; R12-G14 VanDerWaalsContact C-N 3.33Å; G14-L16 PolarHBondContact O-N 3.33Å; G14-L16 VanDerWaalsContact O-N 3.13Å; G14-H53 VanDerWaalsContact CA-CD2 3.49Å; G14-H53 WeakPolarHBondContact CA-CD2 3.28Å; G14-H53 VanDerWaalsContact CA-CG 3.48Å; G14-H53 PolarHBondContact N-CD2 2.95Å; G14-H53 PolarHBondContact N-NE2 3.22Å
15K97.6Very high94.8Very high102 Ų10262.6 Ų62.644%0.44330%0.303SS..  trans-89.369.4-173.2-64.5173.9179.9147.90112.2A10 D13 R17 L18 L19A10-K15 HydrophobicContact CB-CB 4.4Å; A10-K15 PolarHBondContact O-N 3.34Å; D13-K15 HydrophobicContact CB-CD 4.01Å; D13-K15 HydrophobicContact CB-CG 4.04Å; D13-K15 PolarHBondContact O-N 2.99Å; D13-K15 IonicContact OD2-NZ 2.8Å; D13-K15 PolarHBondContact OD2-NZ 3.14Å; K15-R17 PolarHBondContact O-N 3.41Å; K15-L18 HydrophobicContact CB-CB 3.95Å; K15-L18 HydrophobicContact CB-CD2 4.38Å; K15-L18 HydrophobicContact CD-CD2 4.03Å; K15-L18 WeakPolarHBondContact O-CB 3.49Å; K15-L18 PolarHBondContact O-N 2.88Å; K15-L18 VanDerWaalsContact O-N 3.11Å; K15-L19 PolarHBondContact O-N 3.38Å
16L95.8Very high94.7Very high42 Ų4264.1 Ų64.122%0.2231%0.306CS..Hα-helixtrans-53.3-48.2-176178.259.5000113.9G14 L18 L19 Q20 D55 L56 Y59G14-L16 PolarHBondContact O-N 3.33Å; G14-L16 VanDerWaalsContact O-N 3.13Å; L16-L18 VanDerWaalsContact C-N 3.29Å; L16-L18 PolarHBondContact O-N 3.14Å; L16-L19 WeakPolarHBondContact O-CB 3.41Å; L16-L19 PolarHBondContact O-N 3.42Å; L16-L19 VanDerWaalsContact O-N 3.16Å; L16-Q20 HydrophobicContact CD1-CG 4.17Å; L16-Q20 WeakPolarHBondContact O-CG 3.48Å; L16-Q20 PolarHBondContact O-N 2.95Å; L16-D55 HydrophobicContact CD2-CB 4.08Å; L16-L56 HydrophobicContact CB-CD1 4.47Å; L16-Y59 HydrophobicContact CD1-CD1 3.65Å; L16-Y59 HydrophobicContact CD1-CD2 4.17Å; L16-Y59 HydrophobicContact CD1-CE1 4.36Å; L16-Y59 HydrophobicContact CD1-CG 3.53Å
17R95.8Very high94.5Very high217 Ų21767.5 Ų67.582%0.81932%0.321SS*.Hα-helixtrans-62-36.4-179.9-65.5-176.6-174.8169.61.9112.9K15 K21K15-R17 PolarHBondContact O-N 3.41Å; R17-K21 WeakPolarHBondContact O-CB 3.37Å; R17-K21 PolarHBondContact O-N 2.99Å; R17-K21 VanDerWaalsContact O-N 3.15Å
18L95.4Very high94.1Very high81 Ų8170.1 Ų70.142%0.42435%0.348SS..Hα-helixtrans-69.2-44.3176.5177.261.4000110A10 K15 L16 Q20 K21 L22A10-L18 HydrophobicContact CB-CD2 4.19Å; A10-L18 HydrophobicContact CB-CG 4.3Å; K15-L18 HydrophobicContact CB-CB 3.95Å; K15-L18 HydrophobicContact CB-CD2 4.38Å; K15-L18 HydrophobicContact CD-CD2 4.03Å; K15-L18 WeakPolarHBondContact O-CB 3.49Å; K15-L18 PolarHBondContact O-N 2.88Å; K15-L18 VanDerWaalsContact O-N 3.11Å; L16-L18 VanDerWaalsContact C-N 3.29Å; L16-L18 PolarHBondContact O-N 3.14Å; L18-Q20 PolarHBondContact O-N 2.85Å; L18-K21 PolarHBondContact O-N 3.16Å; L18-L22 HydrophobicContact CD1-CD1 4.46Å; L18-L22 HydrophobicContact CD1-CG 4.35Å; L18-L22 HydrophobicContact CG-CD1 4.14Å; L18-L22 HydrophobicContact CG-CG 4.47Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.46Å; L18-L22 PolarHBondContact O-N 2.88Å
19L94.8Very high93.7Very high0 Ų076.7 Ų76.70%038%0.379CS..Hα-helixtrans-57.9-48.6176.7-176.769000111.3V7 A10 K15 L16 K21 L22 L23 L56 Y59 L60V7-L19 HydrophobicContact CB-CD1 4.28Å; V7-L19 HydrophobicContact CG1-CD1 3.79Å; V7-L19 HydrophobicContact CG2-CD1 4.33Å; A10-L19 HydrophobicContact CB-CB 4.2Å; A10-L19 HydrophobicContact CB-CD1 4.4Å; K15-L19 PolarHBondContact O-N 3.38Å; L16-L19 WeakPolarHBondContact O-CB 3.41Å; L16-L19 PolarHBondContact O-N 3.42Å; L16-L19 VanDerWaalsContact O-N 3.16Å; L19-K21 VanDerWaalsContact C-N 3.32Å; L19-K21 PolarHBondContact O-N 3.27Å; L19-L22 WeakPolarHBondContact O-CB 3.27Å; L19-L22 PolarHBondContact O-N 3.33Å; L19-L22 VanDerWaalsContact O-N 3.09Å; L19-L23 HydrophobicContact CD1-CD1 4.11Å; L19-L23 HydrophobicContact CG-CD1 4.07Å; L19-L23 WeakPolarHBondContact O-CG 3.35Å; L19-L23 PolarHBondContact O-N 3.02Å; L19-L23 VanDerWaalsContact O-N 3.16Å; L19-L56 HydrophobicContact CD2-CD1 4.18Å; L19-L56 HydrophobicContact CD2-CD2 3.97Å; L19-L56 HydrophobicContact CD2-CG 3.95Å; L19-Y59 HydrophobicContact CD2-CD1 3.86Å; L19-Y59 HydrophobicContact CD2-CE1 3.94Å; L19-Y59 HydrophobicContact CG-CE1 4.23Å; L19-L60 HydrophobicContact CD2-CD2 3.83Å; L19-L60 HydrophobicContact CD2-CG 4.34Å
20Q95Very high93.5Very high79 Ų7979 Ų7937%0.36939%0.389SS..Hα-helixtrans-55.9-46.4176-74.1171.6-22.100111.8L16 L18 L22 L23 E24 Y59L16-Q20 HydrophobicContact CD1-CG 4.17Å; L16-Q20 WeakPolarHBondContact O-CG 3.48Å; L16-Q20 PolarHBondContact O-N 2.95Å; L18-Q20 PolarHBondContact O-N 2.85Å; Q20-L22 VanDerWaalsContact C-N 3.31Å; Q20-L22 PolarHBondContact O-N 3.48Å; Q20-L23 PolarHBondContact O-N 3.13Å; Q20-L23 VanDerWaalsContact O-N 3.13Å; Q20-E24 PolarHBondContact O-N 3.48Å; Q20-Y59 HydrophobicContact CG-CD2 4.43Å; Q20-Y59 HydrophobicContact CG-CE1 4.04Å; Q20-Y59 HydrophobicContact CG-CE2 3.78Å
21K94.9Very high93.2Very high157 Ų15779.6 Ų79.668%0.68339%0.392SS*.Hα-helixtrans-64-33.7177.2-173.3173.8-178.1176.50113.3R17 L18 L19 L23R17-K21 WeakPolarHBondContact O-CB 3.37Å; R17-K21 PolarHBondContact O-N 2.99Å; R17-K21 VanDerWaalsContact O-N 3.15Å; L18-K21 PolarHBondContact O-N 3.16Å; L19-K21 VanDerWaalsContact C-N 3.32Å; L19-K21 PolarHBondContact O-N 3.27Å; K21-L23 VanDerWaalsContact C-N 3.26Å; K21-L23 PolarHBondContact O-N 2.85Å
22L93.1Very high92.9Very high47 Ų4782.4 Ų82.425%0.24641%0.409CS..Hα-helixtrans-70.1-24.6176.4-70.4171.5000112.4L3 A6 V7 A10 L18 L19 Q20L3-L22 HydrophobicContact CD1-CB 4.22Å; L3-L22 HydrophobicContact CD1-CD2 4.11Å; A6-L22 HydrophobicContact CB-CD1 3.92Å; A6-L22 HydrophobicContact CB-CD2 4.39Å; V7-L22 HydrophobicContact CG2-CB 4.33Å; V7-L22 HydrophobicContact CG2-CD1 4.34Å; A10-L22 HydrophobicContact CB-CD1 4.36Å; L18-L22 HydrophobicContact CD1-CD1 4.46Å; L18-L22 HydrophobicContact CD1-CG 4.35Å; L18-L22 HydrophobicContact CG-CD1 4.14Å; L18-L22 HydrophobicContact CG-CG 4.47Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.46Å; L18-L22 PolarHBondContact O-N 2.88Å; L19-L22 WeakPolarHBondContact O-CB 3.27Å; L19-L22 PolarHBondContact O-N 3.33Å; L19-L22 VanDerWaalsContact O-N 3.09Å; Q20-L22 VanDerWaalsContact C-N 3.31Å; Q20-L22 PolarHBondContact O-N 3.48Å
23L92.5Very high92.6Very high10 Ų1084.7 Ų84.75%0.05242%0.422CS..Hα-helixtrans-104.1-10.1-175.9-58.3176.4000113.7V7 L19 Q20 K21 N25 K26 V31 L34 M35 Y59V7-L23 HydrophobicContact CG2-CD2 4.06Å; L19-L23 HydrophobicContact CD1-CD1 4.11Å; L19-L23 HydrophobicContact CG-CD1 4.07Å; L19-L23 WeakPolarHBondContact O-CG 3.35Å; L19-L23 PolarHBondContact O-N 3.02Å; L19-L23 VanDerWaalsContact O-N 3.16Å; Q20-L23 PolarHBondContact O-N 3.13Å; Q20-L23 VanDerWaalsContact O-N 3.13Å; K21-L23 VanDerWaalsContact C-N 3.26Å; K21-L23 PolarHBondContact O-N 2.85Å; L23-N25 VanDerWaalsContact C-N 3.28Å; L23-N25 PolarHBondContact O-N 3.1Å; L23-N25 VanDerWaalsContact O-N 3.12Å; L23-K26 WeakPolarHBondContact O-CB 3.47Å; L23-K26 PolarHBondContact O-N 3.09Å; L23-V31 HydrophobicContact CB-CG2 4.46Å; L23-V31 HydrophobicContact CD1-CG1 4.37Å; L23-V31 HydrophobicContact CD2-CG2 4.32Å; L23-L34 HydrophobicContact CD2-CD1 4.28Å; L23-M35 HydrophobicContact CD1-CE 4.27Å; L23-M35 HydrophobicContact CD2-CE 4.29Å; L23-Y59 HydrophobicContact CD1-CE1 4.26Å
24E89.4Confident92.3Very high142 Ų14282.8 Ų82.866%0.66441%0.411SS*.THydrogen-bonded Turntrans-54.2-35.2-171.1-172.2173.7-161.600115Q20Q20-E24 PolarHBondContact O-N 3.48Å
25N88.3Confident92.1Very high151 Ų15181.4 Ų81.481%0.80740%0.397SS*.THydrogen-bonded Turntrans-106.222.5-177.9-64.1-52.9000113.1L23L23-N25 VanDerWaalsContact C-N 3.28Å; L23-N25 PolarHBondContact O-N 3.1Å; L23-N25 VanDerWaalsContact O-N 3.12Å
26K89.8Confident91.8Very high77 Ų7778.1 Ų78.134%0.33539%0.392SS..  trans-107139.6-175.8-62.7-72.4170-170.10110.7L3 L23 E30 V31L3-K26 HydrophobicContact CD2-CD 4.43Å; L23-K26 WeakPolarHBondContact O-CB 3.47Å; L23-K26 PolarHBondContact O-N 3.09Å; K26-E30 HydrophobicContact CD-CB 4.44Å; K26-E30 WeakPolarHBondContact CD-OE2 3.45Å; K26-E30 WeakPolarHBondContact CE-OE2 3.45Å; K26-E30 IonicContact NZ-OE2 2.92Å; K26-E30 PolarHBondContact NZ-OE2 3.42Å; K26-V31 HydrophobicContact CB-CG2 3.69Å
27D90.9Very high91.6Very high92 Ų9279 Ų7949%0.49240%0.395SS..  trans-72.7159.6172.471.840.5000110.7H29 E30 V31D27-H29 PolarHBondContact O-N 3.15Å; D27-H29 WeakPolarHBondContact OD1-CB 3.35Å; D27-H29 PolarHBondContact OD1-N 2.8Å; D27-E30 PolarHBondContact O-N 2.98Å; D27-E30 PolarHBondContact OD1-N 3.3Å; D27-V31 WeakPolarHBondContact O-CG2 3.39Å; D27-V31 PolarHBondContact O-N 3.42Å
28G86.8Confident91.5Very high56 Ų5673.4 Ų73.458%0.57738%0.377SS*.Hα-helixtrans-60.1-30.1-176.200000113.4T32G28-T32 PolarHBondContact O-N 3.26Å; G28-T32 PolarHBondContact O-OG1 3.21Å
29H88.1Confident91.5Very high152 Ų15270.2 Ų70.270%0.70436%0.361SS*.Hα-helixtrans-72.4-43.6179.8-173.466000111.6D27 V31 T32 K33D27-H29 PolarHBondContact O-N 3.15Å; D27-H29 WeakPolarHBondContact OD1-CB 3.35Å; D27-H29 PolarHBondContact OD1-N 2.8Å; H29-V31 VanDerWaalsContact C-N 3.33Å; H29-T32 PolarHBondContact O-N 3.14Å; H29-K33 WeakPolarHBondContact O-CB 3.49Å; H29-K33 PolarHBondContact O-N 2.98Å
30E90.5Very high91.3Very high81 Ų8176.5 Ų76.538%0.37939%0.394SS..Hα-helixtrans-60.5-42.9173.2-74.8-167.4173.100111.2K26 D27 K33 L34K26-E30 HydrophobicContact CD-CB 4.44Å; K26-E30 WeakPolarHBondContact CD-OE2 3.45Å; K26-E30 WeakPolarHBondContact CE-OE2 3.45Å; K26-E30 IonicContact NZ-OE2 2.92Å; K26-E30 PolarHBondContact NZ-OE2 3.42Å; D27-E30 PolarHBondContact O-N 2.98Å; D27-E30 PolarHBondContact OD1-N 3.3Å; E30-K33 PolarHBondContact O-N 3.09Å; E30-L34 WeakPolarHBondContact O-CB 3.33Å; E30-L34 VanDerWaalsContact O-CG 3.27Å; E30-L34 WeakPolarHBondContact O-CG 3.28Å; E30-L34 PolarHBondContact O-N 3.32Å
31V92.1Very high91.2Very high13 Ų1374 Ų748%0.07939%0.389CS..Hα-helixtrans-61.6-52.2177.6175.10000110.8L23 K26 D27 H29 K33 L34 M35 C64L23-V31 HydrophobicContact CB-CG2 4.46Å; L23-V31 HydrophobicContact CD1-CG1 4.37Å; L23-V31 HydrophobicContact CD2-CG2 4.32Å; K26-V31 HydrophobicContact CB-CG2 3.69Å; D27-V31 WeakPolarHBondContact O-CG2 3.39Å; D27-V31 PolarHBondContact O-N 3.42Å; H29-V31 VanDerWaalsContact C-N 3.33Å; V31-K33 VanDerWaalsContact C-N 3.29Å; V31-K33 PolarHBondContact O-N 3.48Å; V31-L34 PolarHBondContact O-N 2.97Å; V31-L34 VanDerWaalsContact O-N 3.14Å; V31-M35 HydrophobicContact CG1-CG 4.46Å; V31-M35 WeakPolarHBondContact O-CG 3.38Å; V31-M35 PolarHBondContact O-N 3Å; V31-C64 HydrophobicContact CG1-CB 3.65Å
32T89.8Confident91.3Very high59 Ų5966.5 Ų66.536%0.36236%0.357SS..Hα-helixtrans-60.2-40.5179.9-57.80000111.8G28 H29 M35 G36G28-T32 PolarHBondContact O-N 3.26Å; G28-T32 PolarHBondContact O-OG1 3.21Å; H29-T32 PolarHBondContact O-N 3.14Å; T32-M35 PolarHBondContact O-N 3.19Å; T32-G36 PolarHBondContact O-N 3.41Å; T32-G36 VanDerWaalsContact O-N 3.14Å
33K90.2Very high91.5Very high128 Ų12864.2 Ų64.256%0.55735%0.345SS*.Hα-helixtrans-59.9-48.6174.7-176.3-179.1174.8-175.40111.3H29 E30 V31 M35 G36 E37H29-K33 WeakPolarHBondContact O-CB 3.49Å; H29-K33 PolarHBondContact O-N 2.98Å; E30-K33 PolarHBondContact O-N 3.09Å; V31-K33 VanDerWaalsContact C-N 3.29Å; V31-K33 PolarHBondContact O-N 3.48Å; K33-M35 PolarHBondContact O-N 3.01Å; K33-G36 PolarHBondContact O-N 3.2Å; K33-G36 VanDerWaalsContact O-N 3.15Å; K33-E37 WeakPolarHBondContact CE-OE1 3.42Å; K33-E37 WeakPolarHBondContact O-CG 3.35Å; K33-E37 PolarHBondContact O-N 3.26Å
34L92Very high91.8Very high23 Ų2363.9 Ų63.912%0.1234%0.343CS..Hα-helixtrans-60.2-34177.8-73.9168.7000112.5L3 K4 L23 E30 V31L3-L34 HydrophobicContact CD2-CD1 3.98Å; L3-L34 HydrophobicContact CG-CD1 4.43Å; K4-L34 HydrophobicContact CB-CD2 4.32Å; L23-L34 HydrophobicContact CD2-CD1 4.28Å; E30-L34 WeakPolarHBondContact O-CB 3.33Å; E30-L34 VanDerWaalsContact O-CG 3.27Å; E30-L34 WeakPolarHBondContact O-CG 3.28Å; E30-L34 PolarHBondContact O-N 3.32Å; V31-L34 PolarHBondContact O-N 2.97Å; V31-L34 VanDerWaalsContact O-N 3.14Å
35M92Very high92.2Very high0 Ų057.1 Ų57.10%031%0.312CS..Hα-helixtrans-71.7-31.1177.5-64.6-46.8103.400113.4V7 L23 V31 T32 K33 P44 L60 C64 A66V7-M35 HydrophobicContact CG1-CE 3.56Å; L23-M35 HydrophobicContact CD1-CE 4.27Å; L23-M35 HydrophobicContact CD2-CE 4.29Å; V31-M35 HydrophobicContact CG1-CG 4.46Å; V31-M35 WeakPolarHBondContact O-CG 3.38Å; V31-M35 PolarHBondContact O-N 3Å; T32-M35 PolarHBondContact O-N 3.19Å; K33-M35 PolarHBondContact O-N 3.01Å; M35-P44 HydrophobicContact SD-CB 4.34Å; M35-P44 HydrophobicContact SD-CG 4.35Å; M35-L60 HydrophobicContact SD-CD2 3.32Å; M35-L60 WeakPolarHBondContact SD-CD2 3.43Å; M35-C64 HydrophobicContact CG-CB 3.66Å; M35-C64 HydrophobicContact SD-CB 4.05Å; M35-A66 HydrophobicContact CB-CB 3.88Å; M35-A66 HydrophobicContact CG-CB 4.06Å
36G89.6Confident92.7Very high34 Ų3450 Ų5035%0.35127%0.273SS..Hα-helixtrans-80-18.1177.100000114T32 K33T32-G36 PolarHBondContact O-N 3.41Å; T32-G36 VanDerWaalsContact O-N 3.14Å; K33-G36 PolarHBondContact O-N 3.2Å; K33-G36 VanDerWaalsContact O-N 3.15Å
37E91.5Very high93.1Very high59 Ų5946.7 Ų46.728%0.27626%0.259SS..  trans-77.9135.1-176.5-78.1-171.1-153.600113.5K4 K33K4-E37 HydrophobicContact CD-CB 4.5Å; K4-E37 VanDerWaalsContact CD-OE2 3.26Å; K4-E37 WeakPolarHBondContact CD-OE2 3.48Å; K4-E37 WeakPolarHBondContact CE-OE2 3.36Å; K4-E37 IonicContact NZ-OE2 2.71Å; K4-E37 PolarHBondContact NZ-OE2 3.41Å; K33-E37 WeakPolarHBondContact CE-OE1 3.42Å; K33-E37 WeakPolarHBondContact O-CG 3.35Å; K33-E37 PolarHBondContact O-N 3.26Å
38K94.3Very high93.4Very high100 Ų10042.3 Ų42.344%0.43524%0.236SC..  trans-87.2134.7177.7-67.2177.3175.4-174.80111.8K4 A42 T43 G71K4-K38 WeakPolarHBondContact CE-O 3.44Å; K4-K38 PolarHBondContact NZ-O 3.39Å; K38-A42 CarbonylContact C-O 3.54Å; K38-A42 WeakPolarHBondContact CA-O 3.26Å; K38-T43 HydrophobicContact CG-CG2 4.13Å; K38-G71 WeakPolarHBondContact CE-O 3.41Å; K38-G71 PolarHBondContact NZ-O 2.92Å
39T95.3Very high94Very high14 Ų1439.6 Ų39.69%0.08621%0.208CC..BIsolated β-bridgetrans-120.8128.8166.3-54.60000107.7K4 T5 Y8 G41 A42K4-T39 VanDerWaalsContact CE-OG1 3.23Å; K4-T39 WeakPolarHBondContact CE-OG1 3.32Å; T5-T39 HydrophobicContact CG2-CG2 4.49Å; Y8-T39 HydrophobicContact CD1-CG2 3.91Å; Y8-T39 HydrophobicContact CD2-CG2 4.41Å; Y8-T39 HydrophobicContact CE1-CG2 4.32Å; Y8-T39 VanDerWaalsContact CE2-O 3.24Å; Y8-T39 WeakPolarHBondContact CE2-O 3.28Å; Y8-T39 HydrophobicContact CG-CG2 3.96Å; T39-G41 PolarHBondContact O-N 2.89Å; T39-A42 PolarHBondContact N-O 3.48Å; T39-A42 PolarHBondContact O-N 2.91Å; T39-A42 VanDerWaalsContact O-O 3.12Å
40N91.2Very high94.5Very high132 Ų13234.5 Ų34.571%0.70618%0.183SC*.THydrogen-bonded Turntrans50.838.8-171.9-56.3-21.1000112.8A42N40-A42 VanDerWaalsContact C-N 3.29Å; N40-A42 PolarHBondContact O-N 3.3Å
41G93.7Very high94.8Very high26 Ų2635.6 Ų35.627%0.26818%0.184SC..THydrogen-bonded Turntrans79.6-3.8-179.500000116T39 G72 S73T39-G41 PolarHBondContact O-N 2.89Å; G41-G72 CarbonylContact O-C 3.51Å; G41-G72 WeakPolarHBondContact O-CA 3.24Å; G41-S73 PolarHBondContact O-N 3.18Å
42A96.8Very high95.1Very high0 Ų036.2 Ų36.20%019%0.193CC..BIsolated β-bridgetrans-124.7150.9-174.900000114.4Y8 K38 T39 N40 L46 M47Y8-A42 HydrophobicContact CE2-CB 4.01Å; K38-A42 CarbonylContact C-O 3.54Å; K38-A42 WeakPolarHBondContact CA-O 3.26Å; T39-A42 PolarHBondContact N-O 3.48Å; T39-A42 PolarHBondContact O-N 2.91Å; T39-A42 VanDerWaalsContact O-O 3.12Å; N40-A42 VanDerWaalsContact C-N 3.29Å; N40-A42 PolarHBondContact O-N 3.3Å; A42-L46 HydrophobicContact CB-CD2 3.87Å; A42-L46 HydrophobicContact CB-CG 4.45Å; A42-M47 HydrophobicContact CB-CE 3.51Å; A42-M47 HydrophobicContact CB-CG 4.15Å; A42-M47 HydrophobicContact CB-SD 4.06Å
43T97.4Very high95.5Very high0 Ų035.8 Ų35.80%019%0.187CC..  trans-86.2161.217362.20000111.3K38 L45 L46 M47 V70K38-T43 HydrophobicContact CG-CG2 4.13Å; T43-L45 VanDerWaalsContact C-N 3.31Å; T43-L45 PolarHBondContact O-N 3.29Å; T43-L46 PolarHBondContact O-N 2.9Å; T43-L46 VanDerWaalsContact OG1-CB 3.31Å; T43-L46 WeakPolarHBondContact OG1-CB 3.32Å; T43-L46 PolarHBondContact OG1-N 3.46Å; T43-M47 PolarHBondContact O-N 3.23Å; T43-V70 HydrophobicContact CG2-CB 4.16Å; T43-V70 HydrophobicContact CG2-CG1 3.58Å
44P97.6Very high95.9Very high2 Ų231.5 Ų31.51%0.01317%0.17CC..Hα-helixtrans-55.1-43.6172.6-2736.3000113V7 A11 M35 M47 A48 L60V7-P44 HydrophobicContact CG1-CB 4.44Å; V7-P44 HydrophobicContact CG1-CG 3.94Å; A11-P44 HydrophobicContact CB-CB 3.66Å; M35-P44 HydrophobicContact SD-CB 4.34Å; M35-P44 HydrophobicContact SD-CG 4.35Å; P44-M47 PolarHBondContact O-N 3.48Å; P44-A48 WeakPolarHBondContact O-CB 3.38Å; P44-A48 PolarHBondContact O-N 2.95Å; P44-L60 HydrophobicContact CB-CD1 4.21Å
45L98.4Very high96.2Very high1 Ų135.5 Ų35.51%0.00519%0.191CC..Hα-helixtrans-63.6-42.6178.8179.663.4000112.1T43 M47 A48 A49 V57 L60 L61 A66 P86 L102T43-L45 VanDerWaalsContact C-N 3.31Å; T43-L45 PolarHBondContact O-N 3.29Å; L45-M47 VanDerWaalsContact C-N 3.32Å; L45-M47 PolarHBondContact O-N 2.97Å; L45-A48 PolarHBondContact O-N 2.91Å; L45-A49 VanDerWaalsContact O-CB 3.3Å; L45-A49 WeakPolarHBondContact O-CB 3.14Å; L45-A49 PolarHBondContact O-N 2.99Å; L45-V57 HydrophobicContact CD1-CB 4.47Å; L45-V57 HydrophobicContact CD1-CG1 4.08Å; L45-V57 HydrophobicContact CD1-CG2 4.4Å; L45-L60 HydrophobicContact CB-CD1 4.15Å; L45-L60 HydrophobicContact CD1-CB 4.18Å; L45-L60 HydrophobicContact CD1-CD1 4.28Å; L45-L61 HydrophobicContact CD1-CD2 4.24Å; L45-L61 HydrophobicContact CD1-CG 4.13Å; L45-L61 HydrophobicContact CD2-CD2 3.77Å; L45-A66 HydrophobicContact CB-CB 4.14Å; L45-A66 HydrophobicContact CD2-CB 4.08Å; L45-P86 HydrophobicContact CD2-CB 4.49Å; L45-P86 HydrophobicContact CD2-CG 4.01Å; L45-P86 HydrophobicContact CG-CB 4.22Å; L45-P86 HydrophobicContact CG-CG 3.97Å; L45-L102 HydrophobicContact CD1-CD2 4.42Å
46L98.4Very high96.5Very high0 Ų035.7 Ų35.70%019%0.192CC..Hα-helixtrans-60.3-42.4177.4178.158.7000111.7A42 T43 R50 G72 V74 A84 P86 A89A42-L46 HydrophobicContact CB-CD2 3.87Å; A42-L46 HydrophobicContact CB-CG 4.45Å; T43-L46 PolarHBondContact O-N 2.9Å; T43-L46 VanDerWaalsContact OG1-CB 3.31Å; T43-L46 WeakPolarHBondContact OG1-CB 3.32Å; T43-L46 PolarHBondContact OG1-N 3.46Å; L46-R50 WeakPolarHBondContact O-CB 3.35Å; L46-R50 PolarHBondContact O-N 2.82Å; L46-G72 VanDerWaalsContact CD2-CA 3.47Å; L46-V74 HydrophobicContact CD1-CG1 3.71Å; L46-V74 HydrophobicContact CD2-CG1 3.79Å; L46-V74 HydrophobicContact CG-CG1 3.69Å; L46-A84 WeakPolarHBondContact CD1-O 3.44Å; L46-P86 HydrophobicContact CB-CG 4.4Å; L46-P86 HydrophobicContact CD1-CG 4.48Å; L46-A89 HydrophobicContact CD1-CB 3.73Å
47M98.1Very high96.9Very high8 Ų834 Ų344%0.03918%0.176CC..Hα-helixtrans-68.5-44176.7-65.3-64.588.100112.1Y8 R12 A42 T43 P44 L45 A49 R50 Y51 V74Y8-M47 HydrophobicContact CD2-CG 4.11Å; Y8-M47 HydrophobicContact CE2-CG 3.36Å; Y8-M47 HydrophobicContact CE2-SD 4.08Å; Y8-M47 PolarHBondContact OH-SD 3.11Å; Y8-M47 VanDerWaalsContact OH-SD 3.36Å; R12-M47 HydrophobicContact CB-CB 3.95Å; R12-M47 HydrophobicContact CB-CG 4.32Å; R12-M47 HydrophobicContact CG-CB 4.23Å; R12-M47 HydrophobicContact CG-CG 4.41Å; R12-M47 HydrophobicContact CG-SD 4.37Å; A42-M47 HydrophobicContact CB-CE 3.51Å; A42-M47 HydrophobicContact CB-CG 4.15Å; A42-M47 HydrophobicContact CB-SD 4.06Å; T43-M47 PolarHBondContact O-N 3.23Å; P44-M47 PolarHBondContact O-N 3.48Å; L45-M47 VanDerWaalsContact C-N 3.32Å; L45-M47 PolarHBondContact O-N 2.97Å; M47-A49 VanDerWaalsContact C-N 3.26Å; M47-A49 PolarHBondContact O-N 3.43Å; M47-R50 HydrophobicContact CE-CB 4.47Å; M47-R50 PolarHBondContact O-N 3.49Å; M47-Y51 WeakPolarHBondContact O-CD2 3.46Å; M47-Y51 PolarHBondContact O-N 3.3Å; M47-Y51 HydrophobicContact SD-CE2 4.09Å; M47-V74 HydrophobicContact CE-CG1 3.8Å
48A98.4Very high97.2Very high0 Ų034.5 Ų34.50%018%0.178CC..Hα-helixtrans-57-43.8175.900000111.4P44 L45 G52 H53 L56 V57 L60P44-A48 WeakPolarHBondContact O-CB 3.38Å; P44-A48 PolarHBondContact O-N 2.95Å; L45-A48 PolarHBondContact O-N 2.91Å; A48-G52 PolarHBondContact O-N 3.16Å; A48-G52 VanDerWaalsContact O-N 3.1Å; A48-H53 PolarHBondContact O-N 2.98Å; A48-L56 HydrophobicContact CB-CD2 3.53Å; A48-V57 HydrophobicContact CB-CG2 3.72Å; A48-L60 HydrophobicContact CB-CD1 4.06Å
49A98.6Very high97.3Very high0 Ų031.8 Ų31.80%017%0.165CC..Hα-helixtrans-67.6-45.1178.200000112.6L45 M47 Y51 G52 V57 P86 A90 H95 V98 L102L45-A49 VanDerWaalsContact O-CB 3.3Å; L45-A49 WeakPolarHBondContact O-CB 3.14Å; L45-A49 PolarHBondContact O-N 2.99Å; M47-A49 VanDerWaalsContact C-N 3.26Å; M47-A49 PolarHBondContact O-N 3.43Å; A49-Y51 VanDerWaalsContact C-N 3.27Å; A49-Y51 PolarHBondContact O-N 3.02Å; A49-G52 PolarHBondContact O-N 3.42Å; A49-V57 HydrophobicContact CB-CG2 4.38Å; A49-P86 HydrophobicContact CB-CB 3.85Å; A49-A90 HydrophobicContact CB-CB 4.33Å; A49-H95 PolarHBondContact O-CD2 3.3Å; A49-V98 HydrophobicContact CB-CG1 3.97Å; A49-L102 HydrophobicContact CB-CD1 4.1Å
50R98.1Very high97.4Very high44 Ų4431.1 Ų31.117%0.16616%0.161CC..Hα-helixtrans-59.3-35.3178.1171.458.6-172.890.9-7113.1L46 M47 N75 F76 A89 A93 H95L46-R50 WeakPolarHBondContact O-CB 3.35Å; L46-R50 PolarHBondContact O-N 2.82Å; M47-R50 HydrophobicContact CE-CB 4.47Å; M47-R50 PolarHBondContact O-N 3.49Å; R50-N75 PolarHBondContact NE-O 3.44Å; R50-N75 PolarHBondContact NH2-O 3.3Å; R50-F76 VanDerWaalsContact CD-CE2 3.45Å; R50-A89 HydrophobicContact CB-CB 4.08Å; R50-A93 WeakPolarHBondContact O-CB 3.39Å; R50-H95 PolarHBondContact O-NE2 2.94Å
51Y98.1Very high97.6Very high105 Ų10525.7 Ų25.741%0.41213%0.132SC..THydrogen-bonded Turntrans-101.83.5-176.7-67-67.4000114R12 M47 A49 H53R12-Y51 HydrophobicContact CG-CD2 3.83Å; R12-Y51 HydrophobicContact CG-CE2 3.49Å; R12-Y51 VanDerWaalsContact CG-CE2 3.49Å; M47-Y51 WeakPolarHBondContact O-CD2 3.46Å; M47-Y51 PolarHBondContact O-N 3.3Å; M47-Y51 HydrophobicContact SD-CE2 4.09Å; A49-Y51 VanDerWaalsContact C-N 3.27Å; A49-Y51 PolarHBondContact O-N 3.02Å; Y51-H53 WeakPolarHBondContact CB-NE2 3.49Å
52G98.1Very high97.7Very high25 Ų2530.4 Ų30.426%0.25815%0.147SC..THydrogen-bonded Turntrans80.322.8169.600000115.1A48 A49 L54 H95A48-G52 PolarHBondContact O-N 3.16Å; A48-G52 VanDerWaalsContact O-N 3.1Å; A49-G52 PolarHBondContact O-N 3.42Å; G52-L54 PolarHBondContact O-N 3.21Å; G52-H95 WeakPolarHBondContact CA-CD2 3.48Å; G52-H95 PolarHBondContact N-CD2 3.03Å; G52-H95 VanDerWaalsContact N-CD2 3.27Å; G52-H95 PolarHBondContact N-NE2 3.39Å
53H98.5Very high97.4Very high51 Ų5134.2 Ų34.224%0.23617%0.173CC..  trans-82.875.9-177-57.1-47.5000111.4A11 R12 G14 A48 Y51 D55 L56 V57A11-H53 PolarHBondContact O-CD2 3.46Å; A11-H53 VanDerWaalsContact O-CD2 3.3Å; R12-H53 PolarHBondContact O-CD2 3.03Å; R12-H53 PolarHBondContact O-NE2 3.19Å; G14-H53 VanDerWaalsContact CA-CD2 3.49Å; G14-H53 WeakPolarHBondContact CA-CD2 3.28Å; G14-H53 VanDerWaalsContact CA-CG 3.48Å; G14-H53 PolarHBondContact N-CD2 2.95Å; G14-H53 PolarHBondContact N-NE2 3.22Å; A48-H53 PolarHBondContact O-N 2.98Å; Y51-H53 WeakPolarHBondContact CB-NE2 3.49Å; H53-D55 PolarHBondContact O-N 3.46Å; H53-L56 HydrophobicContact CB-CB 3.92Å; H53-L56 WeakPolarHBondContact O-CB 3.39Å; H53-L56 PolarHBondContact O-N 2.86Å; H53-L56 VanDerWaalsContact O-N 3.09Å; H53-V57 WeakPolarHBondContact O-CG2 3.46Å; H53-V57 PolarHBondContact O-N 3.02Å
54L98.4Very high97.1Very high38 Ų3834.3 Ų34.320%0.19917%0.173CC..Hα-helixtrans-50.9-56.6-173.4179.164000113.7G52 L56 V57 E58 K97 V98G52-L54 PolarHBondContact O-N 3.21Å; L54-L56 PolarHBondContact O-N 3.19Å; L54-L56 VanDerWaalsContact O-N 3.1Å; L54-V57 WeakPolarHBondContact O-CA 3.47Å; L54-V57 WeakPolarHBondContact O-CB 3.28Å; L54-V57 PolarHBondContact O-N 3.04Å; L54-E58 HydrophobicContact CD1-CG 4.24Å; L54-E58 PolarHBondContact O-N 3.38Å; L54-K97 HydrophobicContact CD1-CB 4.23Å; L54-K97 HydrophobicContact CD2-CB 3.9Å; L54-K97 HydrophobicContact CD2-CD 3.98Å; L54-V98 HydrophobicContact CB-CG2 4.33Å; L54-V98 HydrophobicContact CD1-CG2 4.34Å
55D97.9Very high96.7Very high107 Ų10738.2 Ų38.257%0.57220%0.2SC*.Hα-helixtrans-57.7-32-177.9-52.7-12.1000112L16 H53 Y59L16-D55 HydrophobicContact CD2-CB 4.08Å; H53-D55 PolarHBondContact O-N 3.46Å; D55-Y59 VanDerWaalsContact O-CB 3.28Å; D55-Y59 WeakPolarHBondContact O-CB 3.38Å; D55-Y59 PolarHBondContact O-N 3.36Å
56L97.6Very high96.5Very high3 Ų338.5 Ų38.52%0.01620%0.202CC..Hα-helixtrans-78.1-38.4178.7-157.7147.4000111A11 L16 L19 A48 H53 L54 Y59 L60A11-L56 HydrophobicContact CB-CD2 3.68Å; L16-L56 HydrophobicContact CB-CD1 4.47Å; L19-L56 HydrophobicContact CD2-CD1 4.18Å; L19-L56 HydrophobicContact CD2-CD2 3.97Å; L19-L56 HydrophobicContact CD2-CG 3.95Å; A48-L56 HydrophobicContact CB-CD2 3.53Å; H53-L56 HydrophobicContact CB-CB 3.92Å; H53-L56 WeakPolarHBondContact O-CB 3.39Å; H53-L56 PolarHBondContact O-N 2.86Å; H53-L56 VanDerWaalsContact O-N 3.09Å; L54-L56 PolarHBondContact O-N 3.19Å; L54-L56 VanDerWaalsContact O-N 3.1Å; L56-Y59 PolarHBondContact O-N 3.33Å; L56-L60 HydrophobicContact CD2-CD1 3.42Å; L56-L60 VanDerWaalsContact CD2-CD1 3.42Å; L56-L60 HydrophobicContact CD2-CG 3.77Å; L56-L60 VanDerWaalsContact O-CB 3.28Å; L56-L60 WeakPolarHBondContact O-CB 3.26Å; L56-L60 WeakPolarHBondContact O-CG 3.23Å; L56-L60 PolarHBondContact O-N 3.18Å
57V98.4Very high96.2Very high0 Ų040.7 Ų40.70%022%0.216CC..Hα-helixtrans-58.9-49.3171.6168.80000110.5L45 A48 A49 H53 L54 L60 L61 V98 L102L45-V57 HydrophobicContact CD1-CB 4.47Å; L45-V57 HydrophobicContact CD1-CG1 4.08Å; L45-V57 HydrophobicContact CD1-CG2 4.4Å; A48-V57 HydrophobicContact CB-CG2 3.72Å; A49-V57 HydrophobicContact CB-CG2 4.38Å; H53-V57 WeakPolarHBondContact O-CG2 3.46Å; H53-V57 PolarHBondContact O-N 3.02Å; L54-V57 WeakPolarHBondContact O-CA 3.47Å; L54-V57 WeakPolarHBondContact O-CB 3.28Å; L54-V57 PolarHBondContact O-N 3.04Å; V57-L60 PolarHBondContact O-N 3.42Å; V57-L61 HydrophobicContact CG1-CD1 3.66Å; V57-L61 HydrophobicContact CG1-CG 4.49Å; V57-L61 WeakPolarHBondContact O-CD1 3.49Å; V57-L61 VanDerWaalsContact O-CG 3.26Å; V57-L61 WeakPolarHBondContact O-CG 2.99Å; V57-L61 PolarHBondContact O-N 3.3Å; V57-V98 HydrophobicContact CG1-CG1 4.41Å; V57-V98 HydrophobicContact CG2-CG1 4.1Å; V57-V98 HydrophobicContact CG2-CG2 4.49Å; V57-L102 HydrophobicContact CG1-CD2 4.12Å; V57-L102 HydrophobicContact CG1-CG 4.29Å
58E97.9Very high96.1Very high69 Ų6941.6 Ų41.632%0.32222%0.222SC..Hα-helixtrans-60.8-48.7178-70.7177.3171.600111.1L54 L60 L61 E62 S101L54-E58 HydrophobicContact CD1-CG 4.24Å; L54-E58 PolarHBondContact O-N 3.38Å; E58-L60 VanDerWaalsContact C-N 3.33Å; E58-L60 PolarHBondContact O-N 2.9Å; E58-L61 PolarHBondContact O-N 3.4Å; E58-E62 WeakPolarHBondContact O-CB 3.33Å; E58-E62 WeakPolarHBondContact O-CG 3.31Å; E58-E62 PolarHBondContact O-N 2.95Å; E58-S101 WeakPolarHBondContact CG-OG 3.36Å
59Y97.1Very high96.1Very high42 Ų4245.2 Ų45.217%0.16524%0.239CC..Hα-helixtrans-58.6-41.8176177.3-100.9000113L16 L19 Q20 L23 D55 L56 C63 C64L16-Y59 HydrophobicContact CD1-CD1 3.65Å; L16-Y59 HydrophobicContact CD1-CD2 4.17Å; L16-Y59 HydrophobicContact CD1-CE1 4.36Å; L16-Y59 HydrophobicContact CD1-CG 3.53Å; L19-Y59 HydrophobicContact CD2-CD1 3.86Å; L19-Y59 HydrophobicContact CD2-CE1 3.94Å; L19-Y59 HydrophobicContact CG-CE1 4.23Å; Q20-Y59 HydrophobicContact CG-CD2 4.43Å; Q20-Y59 HydrophobicContact CG-CE1 4.04Å; Q20-Y59 HydrophobicContact CG-CE2 3.78Å; L23-Y59 HydrophobicContact CD1-CE1 4.26Å; D55-Y59 VanDerWaalsContact O-CB 3.28Å; D55-Y59 WeakPolarHBondContact O-CB 3.38Å; D55-Y59 PolarHBondContact O-N 3.36Å; L56-Y59 PolarHBondContact O-N 3.33Å; Y59-C63 HydrophobicContact CD2-CB 3.72Å; Y59-C63 HydrophobicContact CE2-CB 3.57Å; Y59-C63 HydrophobicContact CG-CB 4.4Å; Y59-C63 WeakPolarHBondContact O-CA 3.16Å; Y59-C63 VanDerWaalsContact O-CB 3.24Å; Y59-C63 WeakPolarHBondContact O-CB 3.27Å; Y59-C63 PolarHBondContact O-N 2.88Å; Y59-C64 WeakPolarHBondContact CE1-SG 3.22Å; Y59-C64 PolarHBondContact O-N 3.32Å
60L96.4Very high95.9Very high0 Ų047.2 Ų47.20%025%0.251CS..Hα-helixtrans-65.7-38.2178.7-76.3-178.2000112.4A11 L19 M35 P44 L45 A48 L56 V57 E58 C64 C65 A66A11-L60 HydrophobicContact CB-CD1 4.48Å; L19-L60 HydrophobicContact CD2-CD2 3.83Å; L19-L60 HydrophobicContact CD2-CG 4.34Å; M35-L60 HydrophobicContact SD-CD2 3.32Å; M35-L60 WeakPolarHBondContact SD-CD2 3.43Å; P44-L60 HydrophobicContact CB-CD1 4.21Å; L45-L60 HydrophobicContact CB-CD1 4.15Å; L45-L60 HydrophobicContact CD1-CB 4.18Å; L45-L60 HydrophobicContact CD1-CD1 4.28Å; A48-L60 HydrophobicContact CB-CD1 4.06Å; L56-L60 HydrophobicContact CD2-CD1 3.42Å; L56-L60 VanDerWaalsContact CD2-CD1 3.42Å; L56-L60 HydrophobicContact CD2-CG 3.77Å; L56-L60 VanDerWaalsContact O-CB 3.28Å; L56-L60 WeakPolarHBondContact O-CB 3.26Å; L56-L60 WeakPolarHBondContact O-CG 3.23Å; L56-L60 PolarHBondContact O-N 3.18Å; V57-L60 PolarHBondContact O-N 3.42Å; E58-L60 VanDerWaalsContact C-N 3.33Å; E58-L60 PolarHBondContact O-N 2.9Å; L60-C64 HydrophobicContact CD2-CB 4.32Å; L60-C64 CarbonylContact O-C 3.58Å; L60-C64 WeakPolarHBondContact O-CB 3.24Å; L60-C64 PolarHBondContact O-N 2.88Å; L60-C65 PolarHBondContact O-N 2.92Å; L60-A66 HydrophobicContact CB-CB 4.05Å; L60-A66 VanDerWaalsContact O-CB 3.24Å; L60-A66 WeakPolarHBondContact O-CB 3.3Å; L60-A66 PolarHBondContact O-N 3.49Å
61L96.3Very high95.8Very high19 Ų1945.9 Ų45.910%0.09925%0.252CS..Hα-helixtrans-75.1-50179.8-68.3165.7000111.4L45 V57 E58 V68 L102 H105L45-L61 HydrophobicContact CD1-CD2 4.24Å; L45-L61 HydrophobicContact CD1-CG 4.13Å; L45-L61 HydrophobicContact CD2-CD2 3.77Å; V57-L61 HydrophobicContact CG1-CD1 3.66Å; V57-L61 HydrophobicContact CG1-CG 4.49Å; V57-L61 WeakPolarHBondContact O-CD1 3.49Å; V57-L61 VanDerWaalsContact O-CG 3.26Å; V57-L61 WeakPolarHBondContact O-CG 2.99Å; V57-L61 PolarHBondContact O-N 3.3Å; E58-L61 PolarHBondContact O-N 3.4Å; L61-V68 HydrophobicContact CD2-CB 4.18Å; L61-V68 HydrophobicContact CD2-CG2 4.18Å; L61-L102 HydrophobicContact CD1-CD2 4.09Å; L61-H105 HydrophobicContact CD1-CB 3.92Å; L61-H105 HydrophobicContact CD2-CB 4.38Å
62E94.6Very high95.7Very high124 Ų12441 Ų4158%0.57923%0.233SC*.Hα-helixtrans-79.5-42.3-172.1-64.4177.3-179.300112.8E58 H105E58-E62 WeakPolarHBondContact O-CB 3.33Å; E58-E62 WeakPolarHBondContact O-CG 3.31Å; E58-E62 PolarHBondContact O-N 2.95Å; E62-H105 WeakPolarHBondContact CG-NE2 3.43Å; E62-H105 IonicContact OE1-CE1 3.46Å; E62-H105 IonicContact OE1-NE2 3.85Å
63C91.4Very high95.7Very high81 Ų8140.7 Ų40.755%0.54723%0.227SC..THydrogen-bonded Turntrans-100.8-24.2-172-60.90000113.5Y59Y59-C63 HydrophobicContact CD2-CB 3.72Å; Y59-C63 HydrophobicContact CE2-CB 3.57Å; Y59-C63 HydrophobicContact CG-CB 4.4Å; Y59-C63 WeakPolarHBondContact O-CA 3.16Å; Y59-C63 VanDerWaalsContact O-CB 3.24Å; Y59-C63 WeakPolarHBondContact O-CB 3.27Å; Y59-C63 PolarHBondContact O-N 2.88Å
64C89.9Confident95.6Very high2 Ų238.3 Ų38.31%0.01422%0.216CC..THydrogen-bonded Turntrans-112.1-2.9-174.7-52.40000114V31 M35 Y59 L60 A66V31-C64 HydrophobicContact CG1-CB 3.65Å; M35-C64 HydrophobicContact CG-CB 3.66Å; M35-C64 HydrophobicContact SD-CB 4.05Å; Y59-C64 WeakPolarHBondContact CE1-SG 3.22Å; Y59-C64 PolarHBondContact O-N 3.32Å; L60-C64 HydrophobicContact CD2-CB 4.32Å; L60-C64 CarbonylContact O-C 3.58Å; L60-C64 WeakPolarHBondContact O-CB 3.24Å; L60-C64 PolarHBondContact O-N 2.88Å; C64-A66 PolarHBondContact O-N 3.47Å
65C90.8Very high95.5Very high84 Ų8440.6 Ų40.657%0.56823%0.228SC*.  trans49.540.6-174.6-56.80000112.6L60L60-C65 PolarHBondContact O-N 2.92Å
66A92.8Very high95.2Very high7 Ų736.6 Ų36.66%0.05821%0.206CC..  trans-62.4134.3-179.100000110.7M35 L45 L60 C64 V68M35-A66 HydrophobicContact CB-CB 3.88Å; M35-A66 HydrophobicContact CG-CB 4.06Å; L45-A66 HydrophobicContact CB-CB 4.14Å; L45-A66 HydrophobicContact CD2-CB 4.08Å; L60-A66 HydrophobicContact CB-CB 4.05Å; L60-A66 VanDerWaalsContact O-CB 3.24Å; L60-A66 WeakPolarHBondContact O-CB 3.3Å; L60-A66 PolarHBondContact O-N 3.49Å; C64-A66 PolarHBondContact O-N 3.47Å; A66-V68 PolarHBondContact O-N 3.05Å
67P93.8Very high94.9Very high45 Ų4543.7 Ų43.729%0.29224%0.244SC..  trans-72.7116.9-175.630.6-36000110.9E69 V70P67-E69 VanDerWaalsContact C-N 3.33Å; P67-E69 PolarHBondContact O-N 2.98Å; P67-V70 HydrophobicContact CB-CG2 3.68Å; P67-V70 HydrophobicContact CG-CB 4.31Å; P67-V70 HydrophobicContact CG-CG2 3.58Å
68V95.9Very high94.3Very high27 Ų2747.2 Ų47.216%0.16428%0.28CS..THydrogen-bonded Turntrans-70.4-24.2-17172.10000114.3L61 A66 P86 L102 A107L61-V68 HydrophobicContact CD2-CB 4.18Å; L61-V68 HydrophobicContact CD2-CG2 4.18Å; A66-V68 PolarHBondContact O-N 3.05Å; V68-P86 VanDerWaalsContact O-CD 3.25Å; V68-P86 WeakPolarHBondContact O-CD 3.12Å; V68-P86 WeakPolarHBondContact O-CG 3.13Å; V68-L102 HydrophobicContact CG2-CD2 3.9Å; V68-A107 HydrophobicContact CG2-CB 3.71Å
69E96.9Very high94Very high76 Ų7650.8 Ų50.836%0.35530%0.297SS..THydrogen-bonded Turntrans-97.4-2.8-174.5-66.5-56.1131.700114.7P67 G71 A107 S108 S111P67-E69 VanDerWaalsContact C-N 3.33Å; P67-E69 PolarHBondContact O-N 2.98Å; E69-G71 PolarHBondContact O-N 3.28Å; E69-A107 VanDerWaalsContact OE1-CA 3.27Å; E69-A107 WeakPolarHBondContact OE1-CA 3.44Å; E69-S108 PolarHBondContact OE1-N 3.34Å; E69-S111 VanDerWaalsContact OE2-CB 3.28Å; E69-S111 WeakPolarHBondContact OE2-CB 3.29Å; E69-S111 PolarHBondContact OE2-OG 3.38Å
70V95.7Very high93.9Very high42 Ų4252.5 Ų52.526%0.25531%0.312SS..  trans-71.8106.1-173.2176.30000110.5T43 P67T43-V70 HydrophobicContact CG2-CB 4.16Å; T43-V70 HydrophobicContact CG2-CG1 3.58Å; P67-V70 HydrophobicContact CB-CG2 3.68Å; P67-V70 HydrophobicContact CG-CB 4.31Å; P67-V70 HydrophobicContact CG-CG2 3.58Å
71G95.7Very high93.8Very high17 Ų1754.4 Ų54.418%0.17532%0.321CS..  trans-68.7147.7173.700000112.9K38 E69 A84K38-G71 WeakPolarHBondContact CE-O 3.41Å; K38-G71 PolarHBondContact NZ-O 2.92Å; E69-G71 PolarHBondContact O-N 3.28Å; G71-A84 VanDerWaalsContact CA-O 3.3Å; G71-A84 WeakPolarHBondContact CA-O 3.42Å
72G96.4Very high93.9Very high1 Ų157.7 Ų57.71%0.0134%0.336CS..EExtended strand (participates in β ladder)trans-152.4-169.1177.800000113.2G41 L46 G83 A84G41-G72 CarbonylContact O-C 3.51Å; G41-G72 WeakPolarHBondContact O-CA 3.24Å; L46-G72 VanDerWaalsContact CD2-CA 3.47Å; G72-G83 PolarHBondContact O-N 3.02Å; G72-G83 VanDerWaalsContact O-N 3.09Å; G72-A84 PolarHBondContact N-O 2.84Å; G72-A84 PolarHBondContact O-N 3.35Å
73S97.4Very high94Very high20 Ų2052.7 Ų52.714%0.1432%0.318CS..EExtended strand (participates in β ladder)trans-91.1125.5-178.6-40.20000110.3G41 I81 E82G41-S73 PolarHBondContact O-N 3.18Å; S73-I81 WeakPolarHBondContact CA-O 3.2Å; S73-E82 WeakPolarHBondContact CB-OE1 3.2Å; S73-E82 WeakPolarHBondContact CB-OE2 3.4Å; S73-E82 VanDerWaalsContact OG-CD 3.26Å; S73-E82 PolarHBondContact OG-OE1 3.06Å; S73-E82 PolarHBondContact OG-OE2 3.43Å
74V97Very high94.3Very high1 Ų148.9 Ų48.91%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-130.8149.3176.7-64.30000111.3L46 M47 F76 I81 A84 W88 A89L46-V74 HydrophobicContact CD1-CG1 3.71Å; L46-V74 HydrophobicContact CD2-CG1 3.79Å; L46-V74 HydrophobicContact CG-CG1 3.69Å; M47-V74 HydrophobicContact CE-CG1 3.8Å; V74-F76 HydrophobicContact CB-CE2 4.32Å; V74-F76 HydrophobicContact CG2-CD2 4.08Å; V74-F76 HydrophobicContact CG2-CE2 3.84Å; V74-I81 HydrophobicContact CG2-CB 4.07Å; V74-I81 PolarHBondContact N-O 3.33Å; V74-I81 PolarHBondContact O-N 2.98Å; V74-A84 HydrophobicContact CG2-CB 3.67Å; V74-W88 HydrophobicContact CG2-CE3 4.49Å; V74-W88 HydrophobicContact CG2-CZ3 4.06Å; V74-A89 HydrophobicContact CG1-CB 4.27Å
75N94.7Very high94.7Very high86 Ų8649 Ų4946%0.4629%0.293SS..EExtended strand (participates in β ladder)trans-104.9131.3179.3-66.675.5000112.1R50 E79 T80R50-N75 PolarHBondContact NE-O 3.44Å; R50-N75 PolarHBondContact NH2-O 3.3Å; N75-E79 VanDerWaalsContact CA-O 3.26Å; N75-E79 WeakPolarHBondContact CA-O 3.44Å; N75-T80 PolarHBondContact ND2-OG1 3.3Å
76F93.6Very high95.1Very high22 Ų2245 Ų4510%0.09627%0.266CS..EExtended strand (participates in β ladder)trans-134.1126.9170.5-76.9-94.3000107.9R50 V74 G78 E79 I81 W88 A92 A93R50-F76 VanDerWaalsContact CD-CE2 3.45Å; V74-F76 HydrophobicContact CB-CE2 4.32Å; V74-F76 HydrophobicContact CG2-CD2 4.08Å; V74-F76 HydrophobicContact CG2-CE2 3.84Å; F76-G78 PolarHBondContact O-N 3.36Å; F76-E79 PolarHBondContact N-O 3.1Å; F76-E79 PolarHBondContact O-N 3.38Å; F76-I81 HydrophobicContact CB-CD1 4.34Å; F76-I81 HydrophobicContact CD2-CD1 4.06Å; F76-W88 HydrophobicContact CD2-CZ3 4.19Å; F76-W88 HydrophobicContact CE2-CH2 4.47Å; F76-W88 AromaticContact CE2-CZ3 3.78Å; F76-W88 HydrophobicContact CE2-CZ3 3.78Å; F76-W88 HydrophobicContact CZ-CZ3 4.48Å; F76-A92 HydrophobicContact CD1-CB 4.44Å; F76-A92 HydrophobicContact CE1-CB 3.62Å; F76-A92 HydrophobicContact CE2-CB 4.06Å; F76-A92 HydrophobicContact CZ-CB 3.39Å; F76-A93 HydrophobicContact CE1-CB 4.04Å; F76-A93 HydrophobicContact CZ-CB 4.1Å
77D91.1Very high95.4Very high153 Ų15344.9 Ų44.982%0.81826%0.264SS*.THydrogen-bonded Turntrans50.133.6177.9-56.3-28.2000115.5E79D77-E79 VanDerWaalsContact C-N 3.27Å; D77-E79 PolarHBondContact O-N 3.33Å
78G86.1Confident95.6Very high73 Ų7343.3 Ų43.375%0.75325%0.252SS*.THydrogen-bonded Turntrans83.2-5.5-178.500000114.8F76F76-G78 PolarHBondContact O-N 3.36Å
79E90.3Very high95.7Very high145 Ų14542 Ų4268%0.67825%0.245SC*.EExtended strand (participates in β ladder)trans-91.7140.5173.4-60.3-165.3168.700111.2N75 F76 D77N75-E79 VanDerWaalsContact CA-O 3.26Å; N75-E79 WeakPolarHBondContact CA-O 3.44Å; F76-E79 PolarHBondContact N-O 3.1Å; F76-E79 PolarHBondContact O-N 3.38Å; D77-E79 VanDerWaalsContact C-N 3.27Å; D77-E79 PolarHBondContact O-N 3.33Å
80T94.4Very high95.8Very high78 Ų7838.4 Ų38.448%0.47923%0.228SC..EExtended strand (participates in β ladder)trans-97.6124.7174.9-530000109.3N75 E82N75-T80 PolarHBondContact ND2-OG1 3.3Å; T80-E82 WeakPolarHBondContact CG2-OE1 3.3Å
81I96.3Very high96Very high39 Ų3936.4 Ų36.420%0.222%0.216CC..EExtended strand (participates in β ladder)trans-108121.5-179.1-57.2177000108.2S73 V74 F76 A84 W88 T113S73-I81 WeakPolarHBondContact CA-O 3.2Å; V74-I81 HydrophobicContact CG2-CB 4.07Å; V74-I81 PolarHBondContact N-O 3.33Å; V74-I81 PolarHBondContact O-N 2.98Å; F76-I81 HydrophobicContact CB-CD1 4.34Å; F76-I81 HydrophobicContact CD2-CD1 4.06Å; I81-A84 HydrophobicContact CG2-CB 4.42Å; I81-W88 HydrophobicContact CD1-CH2 3.36Å; I81-W88 HydrophobicContact CD1-CZ2 4.29Å; I81-W88 HydrophobicContact CD1-CZ3 3.93Å; I81-W88 HydrophobicContact CG2-CH2 4.1Å; I81-W88 HydrophobicContact CG2-CZ3 4.24Å; I81-T113 HydrophobicContact CG2-CG2 3.99Å
82E96.5Very high96.1Very high89 Ų8935.7 Ų35.742%0.41621%0.208SC..EExtended strand (participates in β ladder)trans-94.1146.2-175.7-65.6-59.3152.900113.1S73 T80 A84 L114S73-E82 WeakPolarHBondContact CB-OE1 3.2Å; S73-E82 WeakPolarHBondContact CB-OE2 3.4Å; S73-E82 VanDerWaalsContact OG-CD 3.26Å; S73-E82 PolarHBondContact OG-OE1 3.06Å; S73-E82 PolarHBondContact OG-OE2 3.43Å; T80-E82 WeakPolarHBondContact CG2-OE1 3.3Å; E82-A84 VanDerWaalsContact C-N 3.28Å; E82-A84 PolarHBondContact O-N 3.23Å; E82-L114 HydrophobicContact CB-CD1 3.71Å; E82-L114 HydrophobicContact CB-CG 4.31Å; E82-L114 PolarHBondContact O-N 3.16Å
83G97.1Very high96.2Very high19 Ų1936.8 Ų36.820%0.19622%0.217CC..EExtended strand (participates in β ladder)trans68.421.4177.900000114.4G72 P85G72-G83 PolarHBondContact O-N 3.02Å; G72-G83 VanDerWaalsContact O-N 3.09Å; G83-P85 WeakPolarHBondContact O-CD 3.46Å
84A98.3Very high96.3Very high0 Ų037.1 Ų37.10%022%0.224CC..EExtended strand (participates in β ladder)trans-75120.3-18000000111.7L46 G71 G72 V74 I81 E82 W88 T113L46-A84 WeakPolarHBondContact CD1-O 3.44Å; G71-A84 VanDerWaalsContact CA-O 3.3Å; G71-A84 WeakPolarHBondContact CA-O 3.42Å; G72-A84 PolarHBondContact N-O 2.84Å; G72-A84 PolarHBondContact O-N 3.35Å; V74-A84 HydrophobicContact CG2-CB 3.67Å; I81-A84 HydrophobicContact CG2-CB 4.42Å; E82-A84 VanDerWaalsContact C-N 3.28Å; E82-A84 PolarHBondContact O-N 3.23Å; A84-W88 HydrophobicContact CB-CD2 4.27Å; A84-W88 HydrophobicContact CB-CE3 3.66Å; A84-W88 HydrophobicContact CB-CZ3 4.25Å; A84-T113 HydrophobicContact CB-CG2 4.11Å
85P98.3Very high96.4Very high5 Ų539.6 Ų39.63%0.03224%0.235CC..  trans-73.5159.8172.329.2-33.2000111.7G83 L87 W88 A89G83-P85 WeakPolarHBondContact O-CD 3.46Å; P85-L87 VanDerWaalsContact C-N 3.28Å; P85-L87 PolarHBondContact O-N 2.9Å; P85-W88 HydrophobicContact CG-CB 3.77Å; P85-W88 WeakPolarHBondContact O-CB 3.35Å; P85-W88 PolarHBondContact O-N 3.33Å; P85-A89 PolarHBondContact O-N 3.03Å; P85-A89 VanDerWaalsContact O-N 3.11Å
86P98.7Very high96.5Very high0 Ų037.9 Ų37.90%023%0.226CC..Hα-helixtrans-50.4-42.8178.7-2934.3000114.3L45 L46 A49 V68 W88 A89 A90 L102L45-P86 HydrophobicContact CD2-CB 4.49Å; L45-P86 HydrophobicContact CD2-CG 4.01Å; L45-P86 HydrophobicContact CG-CB 4.22Å; L45-P86 HydrophobicContact CG-CG 3.97Å; L46-P86 HydrophobicContact CB-CG 4.4Å; L46-P86 HydrophobicContact CD1-CG 4.48Å; A49-P86 HydrophobicContact CB-CB 3.85Å; V68-P86 VanDerWaalsContact O-CD 3.25Å; V68-P86 WeakPolarHBondContact O-CD 3.12Å; V68-P86 WeakPolarHBondContact O-CG 3.13Å; P86-W88 PolarHBondContact O-N 3.21Å; P86-A89 PolarHBondContact O-N 2.97Å; P86-A90 WeakPolarHBondContact O-CB 3.28Å; P86-A90 PolarHBondContact O-N 3.27Å; P86-L102 HydrophobicContact CB-CD1 4.09Å; P86-L102 HydrophobicContact CB-CD2 4.03Å
87L98.9Very high96.8Very high4 Ų443.7 Ų43.72%0.02125%0.251CS..Hα-helixtrans-61.3-45.2178.7-179.162.8000111.5P85 A89 A90 S91 V99 L102 L103 A107 P119 L135P85-L87 VanDerWaalsContact C-N 3.28Å; P85-L87 PolarHBondContact O-N 2.9Å; L87-A89 PolarHBondContact O-N 2.98Å; L87-A90 PolarHBondContact O-N 3.2Å; L87-S91 WeakPolarHBondContact O-CB 3.06Å; L87-S91 PolarHBondContact O-N 2.71Å; L87-S91 PolarHBondContact O-OG 2.96Å; L87-V99 HydrophobicContact CD1-CB 4.33Å; L87-V99 HydrophobicContact CD1-CG1 3.9Å; L87-V99 HydrophobicContact CD1-CG2 4.37Å; L87-L102 HydrophobicContact CB-CD1 4.38Å; L87-L102 HydrophobicContact CD1-CB 4.19Å; L87-L102 HydrophobicContact CD1-CD1 4.47Å; L87-L103 HydrophobicContact CD1-CD2 4.47Å; L87-L103 HydrophobicContact CD1-CG 4.07Å; L87-L103 HydrophobicContact CD2-CD2 3.74Å; L87-L103 HydrophobicContact CD2-CG 4.24Å; L87-A107 HydrophobicContact CB-CB 4.28Å; L87-A107 HydrophobicContact CD2-CB 4.1Å; L87-P119 HydrophobicContact CB-CG 4.47Å; L87-P119 HydrophobicContact CD2-CB 4.36Å; L87-P119 HydrophobicContact CD2-CG 3.95Å; L87-P119 HydrophobicContact CG-CB 4.04Å; L87-P119 HydrophobicContact CG-CG 3.92Å; L87-L135 HydrophobicContact CD1-CD2 4.48Å
88W98.8Very high97.2Very high13 Ų1336.6 Ų36.65%0.04921%0.213CC..Hα-helixtrans-59.7-46.3177.1-173.397.7000111.5V74 F76 I81 A84 P85 P86 S91 A92 T113 S117 T118 P119 A122V74-W88 HydrophobicContact CG2-CE3 4.49Å; V74-W88 HydrophobicContact CG2-CZ3 4.06Å; F76-W88 HydrophobicContact CD2-CZ3 4.19Å; F76-W88 HydrophobicContact CE2-CH2 4.47Å; F76-W88 AromaticContact CE2-CZ3 3.78Å; F76-W88 HydrophobicContact CE2-CZ3 3.78Å; F76-W88 HydrophobicContact CZ-CZ3 4.48Å; I81-W88 HydrophobicContact CD1-CH2 3.36Å; I81-W88 HydrophobicContact CD1-CZ2 4.29Å; I81-W88 HydrophobicContact CD1-CZ3 3.93Å; I81-W88 HydrophobicContact CG2-CH2 4.1Å; I81-W88 HydrophobicContact CG2-CZ3 4.24Å; A84-W88 HydrophobicContact CB-CD2 4.27Å; A84-W88 HydrophobicContact CB-CE3 3.66Å; A84-W88 HydrophobicContact CB-CZ3 4.25Å; P85-W88 HydrophobicContact CG-CB 3.77Å; P85-W88 WeakPolarHBondContact O-CB 3.35Å; P85-W88 PolarHBondContact O-N 3.33Å; P86-W88 PolarHBondContact O-N 3.21Å; W88-S91 PolarHBondContact O-N 3.49Å; W88-A92 HydrophobicContact CE3-CB 4.34Å; W88-A92 HydrophobicContact CH2-CB 4.05Å; W88-A92 HydrophobicContact CZ3-CB 3.95Å; W88-A92 WeakPolarHBondContact O-CB 3.25Å; W88-A92 PolarHBondContact O-N 3.37Å; W88-T113 HydrophobicContact CD2-CG2 3.57Å; W88-T113 VanDerWaalsContact CE2-CG2 3.42Å; W88-T113 HydrophobicContact CE3-CG2 4.2Å; W88-T113 HydrophobicContact CG-CG2 3.81Å; W88-T113 HydrophobicContact CZ2-CG2 4.01Å; W88-S117 PolarHBondContact NE1-O 2.6Å; W88-S117 PolarHBondContact NE1-OG 3.21Å; W88-T118 VanDerWaalsContact CD1-C 3.42Å; W88-T118 PolarHBondContact NE1-O 3.34Å; W88-P119 HydrophobicContact CB-CG 4.25Å; W88-A122 HydrophobicContact CD2-CB 4.24Å; W88-A122 HydrophobicContact CG-CB 4.48Å; W88-A122 HydrophobicContact CZ2-CB 3.87Å
89A98.6Very high97.8Very high0 Ų033.1 Ų33.10%018%0.177CC..Hα-helixtrans-66-39.5-178.900000112.6L46 R50 V74 P85 P86 L87 A93L46-A89 HydrophobicContact CD1-CB 3.73Å; R50-A89 HydrophobicContact CB-CB 4.08Å; V74-A89 HydrophobicContact CG1-CB 4.27Å; P85-A89 PolarHBondContact O-N 3.03Å; P85-A89 VanDerWaalsContact O-N 3.11Å; P86-A89 PolarHBondContact O-N 2.97Å; L87-A89 PolarHBondContact O-N 2.98Å; A89-A93 VanDerWaalsContact O-CB 3.27Å; A89-A93 WeakPolarHBondContact O-CB 3.3Å; A89-A93 PolarHBondContact O-N 3.13Å
90A98.8Very high98.2Very high0 Ų029.8 Ų29.80%016%0.161CC..Hα-helixtrans-66.4-40174.800000112.2A49 P86 L87 A93 G94 H95 V98 V99 L102A49-A90 HydrophobicContact CB-CB 4.33Å; P86-A90 WeakPolarHBondContact O-CB 3.28Å; P86-A90 PolarHBondContact O-N 3.27Å; L87-A90 PolarHBondContact O-N 3.2Å; A90-A93 PolarHBondContact O-N 3.08Å; A90-G94 PolarHBondContact O-N 2.75Å; A90-G94 VanDerWaalsContact O-N 3.15Å; A90-H95 HydrophobicContact CB-CB 4.49Å; A90-H95 PolarHBondContact O-N 3.32Å; A90-V98 HydrophobicContact CB-CB 4.15Å; A90-V98 HydrophobicContact CB-CG1 3.56Å; A90-V99 HydrophobicContact CB-CG2 3.89Å; A90-L102 HydrophobicContact CB-CD1 4.08Å
91S98.8Very high98.4Very high0 Ų026.6 Ų26.60%014%0.143CC..Hα-helixtrans-65.9-44.9176.9-65.20000112.5L87 W88 A93 G94 V99 P119 H128L87-S91 WeakPolarHBondContact O-CB 3.06Å; L87-S91 PolarHBondContact O-N 2.71Å; L87-S91 PolarHBondContact O-OG 2.96Å; W88-S91 PolarHBondContact O-N 3.49Å; S91-A93 VanDerWaalsContact C-N 3.34Å; S91-A93 PolarHBondContact O-N 3.46Å; S91-G94 PolarHBondContact O-N 2.97Å; S91-V99 WeakPolarHBondContact OG-CG2 3.49Å; S91-P119 WeakPolarHBondContact CB-O 3.46Å; S91-H128 PolarHBondContact O-CD2 3.04Å
92A98.5Very high98.5Very high2 Ų224.8 Ų24.82%0.01713%0.133CC..Hα-helixtrans-59.2-45173.800000111.4F76 W88 G94 A122 D126 H128F76-A92 HydrophobicContact CD1-CB 4.44Å; F76-A92 HydrophobicContact CE1-CB 3.62Å; F76-A92 HydrophobicContact CE2-CB 4.06Å; F76-A92 HydrophobicContact CZ-CB 3.39Å; W88-A92 HydrophobicContact CE3-CB 4.34Å; W88-A92 HydrophobicContact CH2-CB 4.05Å; W88-A92 HydrophobicContact CZ3-CB 3.95Å; W88-A92 WeakPolarHBondContact O-CB 3.25Å; W88-A92 PolarHBondContact O-N 3.37Å; A92-G94 VanDerWaalsContact C-N 3.27Å; A92-G94 PolarHBondContact O-N 3.48Å; A92-A122 HydrophobicContact CB-CB 3.91Å; A92-D126 VanDerWaalsContact O-OD2 3.06Å; A92-H128 PolarHBondContact O-CD2 3.3Å; A92-H128 PolarHBondContact O-NE2 3.11Å
93A98.4Very high98.6Very high23 Ų2321.7 Ų21.719%0.1912%0.119CC..THydrogen-bonded Turntrans-78.5-2.2-176.500000115R50 F76 A89 A90 S91 H95R50-A93 WeakPolarHBondContact O-CB 3.39Å; F76-A93 HydrophobicContact CE1-CB 4.04Å; F76-A93 HydrophobicContact CZ-CB 4.1Å; A89-A93 VanDerWaalsContact O-CB 3.27Å; A89-A93 WeakPolarHBondContact O-CB 3.3Å; A89-A93 PolarHBondContact O-N 3.13Å; A90-A93 PolarHBondContact O-N 3.08Å; S91-A93 VanDerWaalsContact C-N 3.34Å; S91-A93 PolarHBondContact O-N 3.46Å; A93-H95 VanDerWaalsContact CB-CD2 3.46Å; A93-H95 WeakPolarHBondContact CB-CD2 3.4Å; A93-H95 WeakPolarHBondContact CB-NE2 3.42Å
94G98.6Very high98.6Very high28 Ų2824 Ų2429%0.28914%0.143SC..THydrogen-bonded Turntrans79.721.1176.400000114.8A90 S91 A92 L96 H128 I131A90-G94 PolarHBondContact O-N 2.75Å; A90-G94 VanDerWaalsContact O-N 3.15Å; S91-G94 PolarHBondContact O-N 2.97Å; A92-G94 VanDerWaalsContact C-N 3.27Å; A92-G94 PolarHBondContact O-N 3.48Å; G94-L96 PolarHBondContact O-N 2.75Å; G94-H128 WeakPolarHBondContact CA-NE2 3.34Å; G94-H128 PolarHBondContact N-NE2 3.07Å; G94-I131 VanDerWaalsContact C-CD1 3.47Å
95H98.8Very high98.6Very high52 Ų5227.5 Ų27.524%0.24116%0.159CC..  trans-92.173.5-175.1-59.2-40.5000112.5A49 R50 G52 A90 A93 K97 V98 V99A49-H95 PolarHBondContact O-CD2 3.3Å; R50-H95 PolarHBondContact O-NE2 2.94Å; G52-H95 WeakPolarHBondContact CA-CD2 3.48Å; G52-H95 PolarHBondContact N-CD2 3.03Å; G52-H95 VanDerWaalsContact N-CD2 3.27Å; G52-H95 PolarHBondContact N-NE2 3.39Å; A90-H95 HydrophobicContact CB-CB 4.49Å; A90-H95 PolarHBondContact O-N 3.32Å; A93-H95 VanDerWaalsContact CB-CD2 3.46Å; A93-H95 WeakPolarHBondContact CB-CD2 3.4Å; A93-H95 WeakPolarHBondContact CB-NE2 3.42Å; H95-K97 PolarHBondContact O-N 3.23Å; H95-V98 HydrophobicContact CB-CB 3.96Å; H95-V98 HydrophobicContact CB-CG2 4.12Å; H95-V98 WeakPolarHBondContact O-CB 3.27Å; H95-V98 PolarHBondContact O-N 3.05Å; H95-V99 PolarHBondContact O-N 3.06Å
96L98.8Very high98.6Very high51 Ų5130 Ų3027%0.26719%0.186SC..Hα-helixtrans-51.5-46.4-174.917862.8000114G94 V98 V99 Q100 D130 I131 Y134G94-L96 PolarHBondContact O-N 2.75Å; L96-V98 VanDerWaalsContact C-N 3.28Å; L96-V98 PolarHBondContact O-N 3.24Å; L96-V99 WeakPolarHBondContact O-CB 3.44Å; L96-V99 PolarHBondContact O-N 3.31Å; L96-V99 VanDerWaalsContact O-N 3.16Å; L96-Q100 HydrophobicContact CD1-CG 4.29Å; L96-Q100 HydrophobicContact CG-CG 4.46Å; L96-Q100 VanDerWaalsContact O-CG 3.3Å; L96-Q100 WeakPolarHBondContact O-CG 3.35Å; L96-Q100 PolarHBondContact O-N 2.98Å; L96-D130 HydrophobicContact CD2-CB 3.97Å; L96-I131 HydrophobicContact CB-CD1 4.42Å; L96-I131 HydrophobicContact CB-CG1 3.97Å; L96-I131 HydrophobicContact CD1-CG1 3.83Å; L96-Y134 HydrophobicContact CD1-CG 4.38Å
97K98.8Very high98.5Very high144 Ų14430.4 Ų30.463%0.62619%0.19SC*.Hα-helixtrans-62.9-35.8-179.7-64.1-174.6178.2-177.60112.6L54 H95 Q100 S101L54-K97 HydrophobicContact CD1-CB 4.23Å; L54-K97 HydrophobicContact CD2-CB 3.9Å; L54-K97 HydrophobicContact CD2-CD 3.98Å; H95-K97 PolarHBondContact O-N 3.23Å; K97-Q100 PolarHBondContact O-N 3.08Å; K97-S101 PolarHBondContact O-N 3.15Å
98V98.9Very high98.5Very high3 Ų332.8 Ų32.82%0.01821%0.206CC..Hα-helixtrans-69.6-41.7175.3172.10000110.5A49 L54 V57 A90 H95 L96 Q100 S101 L102A49-V98 HydrophobicContact CB-CG1 3.97Å; L54-V98 HydrophobicContact CB-CG2 4.33Å; L54-V98 HydrophobicContact CD1-CG2 4.34Å; V57-V98 HydrophobicContact CG1-CG1 4.41Å; V57-V98 HydrophobicContact CG2-CG1 4.1Å; V57-V98 HydrophobicContact CG2-CG2 4.49Å; A90-V98 HydrophobicContact CB-CB 4.15Å; A90-V98 HydrophobicContact CB-CG1 3.56Å; H95-V98 HydrophobicContact CB-CB 3.96Å; H95-V98 HydrophobicContact CB-CG2 4.12Å; H95-V98 WeakPolarHBondContact O-CB 3.27Å; H95-V98 PolarHBondContact O-N 3.05Å; L96-V98 VanDerWaalsContact C-N 3.28Å; L96-V98 PolarHBondContact O-N 3.24Å; V98-Q100 VanDerWaalsContact C-N 3.31Å; V98-Q100 PolarHBondContact O-N 3.26Å; V98-S101 PolarHBondContact O-N 3.44Å; V98-L102 HydrophobicContact CG1-CD1 3.71Å; V98-L102 HydrophobicContact CG1-CG 4.22Å; V98-L102 WeakPolarHBondContact O-CB 3.28Å; V98-L102 VanDerWaalsContact O-CG 3.29Å; V98-L102 WeakPolarHBondContact O-CG 3.45Å; V98-L102 PolarHBondContact O-N 2.84Å
99V98.9Very high98.5Very high0 Ų033 Ų330%021%0.209CC..Hα-helixtrans-56.9-45.9173.3169.60000110.9L87 A90 S91 H95 L96 L102 L103 I131 Y134 L135L87-V99 HydrophobicContact CD1-CB 4.33Å; L87-V99 HydrophobicContact CD1-CG1 3.9Å; L87-V99 HydrophobicContact CD1-CG2 4.37Å; A90-V99 HydrophobicContact CB-CG2 3.89Å; S91-V99 WeakPolarHBondContact OG-CG2 3.49Å; H95-V99 PolarHBondContact O-N 3.06Å; L96-V99 WeakPolarHBondContact O-CB 3.44Å; L96-V99 PolarHBondContact O-N 3.31Å; L96-V99 VanDerWaalsContact O-N 3.16Å; V99-L102 PolarHBondContact O-N 3.46Å; V99-L103 HydrophobicContact CG1-CD1 4.24Å; V99-L103 PolarHBondContact O-N 3.45Å; V99-I131 HydrophobicContact CG1-CG2 4.33Å; V99-I131 HydrophobicContact CG2-CD1 4.24Å; V99-I131 HydrophobicContact CG2-CG2 4.2Å; V99-Y134 HydrophobicContact CG1-CD1 4.01Å; V99-Y134 HydrophobicContact CG1-CE1 4.43Å; V99-L135 HydrophobicContact CG1-CD2 4Å; V99-L135 HydrophobicContact CG1-CG 4.49Å
100Q98.8Very high98.5Very high75 Ų7535.5 Ų35.535%0.3522%0.223SC..Hα-helixtrans-59.8-48.6176.4-70.1173-23.700111.7L96 K97 V98 L103 G104 Y134L96-Q100 HydrophobicContact CD1-CG 4.29Å; L96-Q100 HydrophobicContact CG-CG 4.46Å; L96-Q100 VanDerWaalsContact O-CG 3.3Å; L96-Q100 WeakPolarHBondContact O-CG 3.35Å; L96-Q100 PolarHBondContact O-N 2.98Å; K97-Q100 PolarHBondContact O-N 3.08Å; V98-Q100 VanDerWaalsContact C-N 3.31Å; V98-Q100 PolarHBondContact O-N 3.26Å; Q100-L103 PolarHBondContact O-N 3.01Å; Q100-G104 PolarHBondContact O-N 3.29Å; Q100-Y134 HydrophobicContact CB-CE1 4.26Å; Q100-Y134 HydrophobicContact CG-CD1 4.2Å; Q100-Y134 HydrophobicContact CG-CD2 4.22Å; Q100-Y134 HydrophobicContact CG-CE1 3.73Å; Q100-Y134 HydrophobicContact CG-CE2 3.77Å; Q100-Y134 HydrophobicContact CG-CG 4.42Å
101S98.6Very high98.5Very high12 Ų1236.9 Ų36.98%0.08423%0.232CC..Hα-helixtrans-62.3-45.7178.9-177.90000112.1E58 K97 V98 L103 G104 H105E58-S101 WeakPolarHBondContact CG-OG 3.36Å; K97-S101 PolarHBondContact O-N 3.15Å; V98-S101 PolarHBondContact O-N 3.44Å; S101-L103 PolarHBondContact O-N 3.47Å; S101-G104 PolarHBondContact O-N 3.4Å; S101-H105 PolarHBondContact O-N 3.07Å; S101-H105 PolarHBondContact O-ND1 3.38Å
102L98.8Very high98.5Very high0 Ų038.9 Ų38.90%024%0.244CC..Hα-helixtrans-62-44.9179.1-72.7167.7000112.3L45 A49 V57 L61 V68 P86 L87 A90 V98 V99 H105 G106 A107L45-L102 HydrophobicContact CD1-CD2 4.42Å; A49-L102 HydrophobicContact CB-CD1 4.1Å; V57-L102 HydrophobicContact CG1-CD2 4.12Å; V57-L102 HydrophobicContact CG1-CG 4.29Å; L61-L102 HydrophobicContact CD1-CD2 4.09Å; V68-L102 HydrophobicContact CG2-CD2 3.9Å; P86-L102 HydrophobicContact CB-CD1 4.09Å; P86-L102 HydrophobicContact CB-CD2 4.03Å; L87-L102 HydrophobicContact CB-CD1 4.38Å; L87-L102 HydrophobicContact CD1-CB 4.19Å; L87-L102 HydrophobicContact CD1-CD1 4.47Å; A90-L102 HydrophobicContact CB-CD1 4.08Å; V98-L102 HydrophobicContact CG1-CD1 3.71Å; V98-L102 HydrophobicContact CG1-CG 4.22Å; V98-L102 WeakPolarHBondContact O-CB 3.28Å; V98-L102 VanDerWaalsContact O-CG 3.29Å; V98-L102 WeakPolarHBondContact O-CG 3.45Å; V98-L102 PolarHBondContact O-N 2.84Å; V99-L102 PolarHBondContact O-N 3.46Å; L102-H105 CarbonylContact O-C 3.44Å; L102-H105 PolarHBondContact O-N 3.5Å; L102-G106 PolarHBondContact O-N 3.29Å; L102-A107 HydrophobicContact CB-CB 4.12Å; L102-A107 WeakPolarHBondContact O-CB 3.43Å; L102-A107 PolarHBondContact O-N 3.23Å
103L98.6Very high98.4Very high24 Ų2439 Ų3913%0.12625%0.245CC..Hα-helixtrans-66.2-38.3175.5-76.1175.5000112L87 V99 Q100 S101 H105 G106 A107 V109 Y134 L135 H138L87-L103 HydrophobicContact CD1-CD2 4.47Å; L87-L103 HydrophobicContact CD1-CG 4.07Å; L87-L103 HydrophobicContact CD2-CD2 3.74Å; L87-L103 HydrophobicContact CD2-CG 4.24Å; V99-L103 HydrophobicContact CG1-CD1 4.24Å; V99-L103 PolarHBondContact O-N 3.45Å; Q100-L103 PolarHBondContact O-N 3.01Å; S101-L103 PolarHBondContact O-N 3.47Å; L103-H105 PolarHBondContact O-N 3.35Å; L103-G106 PolarHBondContact O-N 3.06Å; L103-A107 HydrophobicContact CD2-CB 4.47Å; L103-A107 WeakPolarHBondContact CD2-O 3.5Å; L103-V109 HydrophobicContact CD2-CB 3.98Å; L103-V109 HydrophobicContact CD2-CG2 4.25Å; L103-Y134 HydrophobicContact CB-CE1 4.43Å; L103-Y134 HydrophobicContact CD1-CD1 3.86Å; L103-Y134 HydrophobicContact CD1-CE1 3.53Å; L103-L135 HydrophobicContact CD1-CD2 3.98Å; L103-H138 HydrophobicContact CD1-CB 3.99Å
104G98.1Very high98.4Very high67 Ų6744.3 Ų44.369%0.69127%0.269SS*.Hα-helixtrans-59.6-28.7172.600000113.3Q100 S101Q100-G104 PolarHBondContact O-N 3.29Å; S101-G104 PolarHBondContact O-N 3.4Å
105H98.1Very high98.3Very high74 Ų7445.4 Ų45.434%0.34327%0.271SS..THydrogen-bonded Turntrans-95.118.6175.9-70.788.3000113.9L61 E62 S101 L102 L103L61-H105 HydrophobicContact CD1-CB 3.92Å; L61-H105 HydrophobicContact CD2-CB 4.38Å; E62-H105 WeakPolarHBondContact CG-NE2 3.43Å; E62-H105 IonicContact OE1-CE1 3.46Å; E62-H105 IonicContact OE1-NE2 3.85Å; S101-H105 PolarHBondContact O-N 3.07Å; S101-H105 PolarHBondContact O-ND1 3.38Å; L102-H105 CarbonylContact O-C 3.44Å; L102-H105 PolarHBondContact O-N 3.5Å; L103-H105 PolarHBondContact O-N 3.35Å
106G96.8Very high98.2Very high58 Ų5846.1 Ų46.160%0.59828%0.276SS*.THydrogen-bonded Turntrans82.818.5170.300000115.3L102 L103 S108L102-G106 PolarHBondContact O-N 3.29Å; L103-G106 PolarHBondContact O-N 3.06Å; G106-S108 PolarHBondContact O-N 3.4Å
107A98.3Very high98.2Very high9 Ų944 Ų447%0.07427%0.265CS..  trans-56.9137169.400000111V68 E69 L87 L102 L103 V109V68-A107 HydrophobicContact CG2-CB 3.71Å; E69-A107 VanDerWaalsContact OE1-CA 3.27Å; E69-A107 WeakPolarHBondContact OE1-CA 3.44Å; L87-A107 HydrophobicContact CB-CB 4.28Å; L87-A107 HydrophobicContact CD2-CB 4.1Å; L102-A107 HydrophobicContact CB-CB 4.12Å; L102-A107 WeakPolarHBondContact O-CB 3.43Å; L102-A107 PolarHBondContact O-N 3.23Å; L103-A107 HydrophobicContact CD2-CB 4.47Å; L103-A107 WeakPolarHBondContact CD2-O 3.5Å; A107-V109 PolarHBondContact O-N 2.89Å
108S98.5Very high98.2Very high53 Ų5337.1 Ų37.137%0.37124%0.236SC..  trans-75114.6175.1159.50000110.1E69 G106 N110 S111E69-S108 PolarHBondContact OE1-N 3.34Å; G106-S108 PolarHBondContact O-N 3.4Å; S108-N110 PolarHBondContact O-N 2.93Å; S108-N110 VanDerWaalsContact O-N 3.08Å; S108-S111 WeakPolarHBondContact CB-OG 3.47Å; S108-S111 PolarHBondContact O-N 3.43Å; S108-S111 VanDerWaalsContact O-N 3.13Å; S108-S111 PolarHBondContact OG-N 2.63Å; S108-S111 PolarHBondContact OG-OG 3.41Å
109V98.6Very high98.2Very high18 Ų1837 Ų3711%0.10924%0.235CC..THydrogen-bonded Turntrans-58.4-25.2-17672.20000113.8L103 A107 P119 L135 A140L103-V109 HydrophobicContact CD2-CB 3.98Å; L103-V109 HydrophobicContact CD2-CG2 4.25Å; A107-V109 PolarHBondContact O-N 2.89Å; V109-P119 VanDerWaalsContact O-CD 3.3Å; V109-P119 WeakPolarHBondContact O-CD 3.41Å; V109-P119 WeakPolarHBondContact O-CG 3.44Å; V109-L135 HydrophobicContact CG2-CD2 3.92Å; V109-A140 HydrophobicContact CG2-CB 3.76Å
110N98.4Very high98.2Very high53 Ų5337 Ų3728%0.28324%0.235SC..THydrogen-bonded Turntrans-108.48.9-176.7-65.7-42.2000113.5S108 T112 A140 D141S108-N110 PolarHBondContact O-N 2.93Å; S108-N110 VanDerWaalsContact O-N 3.08Å; N110-T112 VanDerWaalsContact O-CG2 3.31Å; N110-T112 WeakPolarHBondContact O-CG2 3.33Å; N110-T112 PolarHBondContact O-N 3.39Å; N110-A140 WeakPolarHBondContact OD1-CA 3.34Å; N110-D141 PolarHBondContact OD1-N 3.09Å
111S98.1Very high98.2Very high28 Ų2835 Ų3520%0.19622%0.224CC..  trans-64.5128.3175.3-73.20000111.2E69 S108 P119E69-S111 VanDerWaalsContact OE2-CB 3.28Å; E69-S111 WeakPolarHBondContact OE2-CB 3.29Å; E69-S111 PolarHBondContact OE2-OG 3.38Å; S108-S111 WeakPolarHBondContact CB-OG 3.47Å; S108-S111 PolarHBondContact O-N 3.43Å; S108-S111 VanDerWaalsContact O-N 3.13Å; S108-S111 PolarHBondContact OG-N 2.63Å; S108-S111 PolarHBondContact OG-OG 3.41Å; S111-P119 WeakPolarHBondContact O-CD 3.31Å
112T98.4Very high98.2Very high42 Ų4234.6 Ų34.626%0.25822%0.222SC..  trans-108.6164.7-168.460.30000113.9N110 N116 S117 T118N110-T112 VanDerWaalsContact O-CG2 3.31Å; N110-T112 WeakPolarHBondContact O-CG2 3.33Å; N110-T112 PolarHBondContact O-N 3.39Å; T112-N116 PolarHBondContact OG1-OD1 2.97Å; T112-N116 VanDerWaalsContact OG1-OD1 3.14Å; T112-S117 VanDerWaalsContact CA-O 3.26Å; T112-S117 WeakPolarHBondContact CA-O 3.47Å; T112-S117 WeakPolarHBondContact CB-O 3.38Å; T112-T118 HydrophobicContact CG2-CG2 3.73Å
113T98.4Very high98.2Very high5 Ų534.6 Ų34.63%0.03122%0.222CC..  trans-73.4175.4163.469.50000111.5I81 A84 W88 T115 N116 S117I81-T113 HydrophobicContact CG2-CG2 3.99Å; A84-T113 HydrophobicContact CB-CG2 4.11Å; W88-T113 HydrophobicContact CD2-CG2 3.57Å; W88-T113 VanDerWaalsContact CE2-CG2 3.42Å; W88-T113 HydrophobicContact CE3-CG2 4.2Å; W88-T113 HydrophobicContact CG-CG2 3.81Å; W88-T113 HydrophobicContact CZ2-CG2 4.01Å; T113-T115 PolarHBondContact O-N 2.99Å; T113-T115 PolarHBondContact OG1-N 2.97Å; T113-T115 PolarHBondContact OG1-OG1 3.36Å; T113-N116 WeakPolarHBondContact O-CA 3.47Å; T113-N116 PolarHBondContact O-N 3.17Å; T113-S117 PolarHBondContact N-O 3.43Å; T113-S117 VanDerWaalsContact N-O 3.09Å; T113-S117 WeakPolarHBondContact OG1-CB 3.18Å; T113-S117 PolarHBondContact OG1-N 3.08Å
114L97Very high98.2Very high134 Ų13433.4 Ų33.470%0.70222%0.216SC*.THydrogen-bonded Turntrans-61-17.7173.7-64.3-173.1000114.3E82 N116E82-L114 HydrophobicContact CB-CD1 3.71Å; E82-L114 HydrophobicContact CB-CG 4.31Å; E82-L114 PolarHBondContact O-N 3.16Å; L114-N116 VanDerWaalsContact C-N 3.26Å
115T95.9Very high98.3Very high52 Ų5233.6 Ų33.632%0.31920%0.197SC..THydrogen-bonded Turntrans-90.410.1174.560.90000112.9T113 S117 N146 R147T113-T115 PolarHBondContact O-N 2.99Å; T113-T115 PolarHBondContact OG1-N 2.97Å; T113-T115 PolarHBondContact OG1-OG1 3.36Å; T115-S117 VanDerWaalsContact C-N 3.26Å; T115-S117 PolarHBondContact O-N 3.36Å; T115-N146 CarbonylContact O-C 3.58Å; T115-N146 WeakPolarHBondContact O-CA 3.38Å; T115-N146 WeakPolarHBondContact O-CB 3.3Å; T115-R147 PolarHBondContact O-N 3.01Å
116N98.3Very high98.2Very high67 Ų6732.9 Ų32.936%0.35820%0.196SC..  trans60.231.1-172.8-152.749.8000113.5T112 T113 L114 A145 N146T112-N116 PolarHBondContact OG1-OD1 2.97Å; T112-N116 VanDerWaalsContact OG1-OD1 3.14Å; T113-N116 WeakPolarHBondContact O-CA 3.47Å; T113-N116 PolarHBondContact O-N 3.17Å; L114-N116 VanDerWaalsContact C-N 3.26Å; N116-A145 PolarHBondContact ND2-O 3.29Å; N116-N146 WeakPolarHBondContact O-CA 3.43Å
117S98.5Very high98.3Very high5 Ų531.4 Ų31.44%0.03518%0.181CC..  trans-83.9122.3176.1-170.50000110.2W88 T112 T113 T115W88-S117 PolarHBondContact NE1-O 2.6Å; W88-S117 PolarHBondContact NE1-OG 3.21Å; T112-S117 VanDerWaalsContact CA-O 3.26Å; T112-S117 WeakPolarHBondContact CA-O 3.47Å; T112-S117 WeakPolarHBondContact CB-O 3.38Å; T113-S117 PolarHBondContact N-O 3.43Å; T113-S117 VanDerWaalsContact N-O 3.09Å; T113-S117 WeakPolarHBondContact OG1-CB 3.18Å; T113-S117 PolarHBondContact OG1-N 3.08Å; T115-S117 VanDerWaalsContact C-N 3.26Å; T115-S117 PolarHBondContact O-N 3.36Å
118T98.8Very high98.3Very high1 Ų133.5 Ų33.51%0.00619%0.189CC..  trans-80.1161.6176.659.20000112.1W88 T112 L120 R121 A122 V144W88-T118 VanDerWaalsContact CD1-C 3.42Å; W88-T118 PolarHBondContact NE1-O 3.34Å; T112-T118 HydrophobicContact CG2-CG2 3.73Å; T118-L120 PolarHBondContact O-N 2.96Å; T118-R121 PolarHBondContact O-N 2.94Å; T118-R121 VanDerWaalsContact O-N 3.17Å; T118-R121 WeakPolarHBondContact OG1-CB 3.26Å; T118-R121 PolarHBondContact OG1-N 2.97Å; T118-A122 PolarHBondContact O-N 3.34Å; T118-V144 HydrophobicContact CG2-CB 3.81Å; T118-V144 HydrophobicContact CG2-CG1 3.43Å; T118-V144 VanDerWaalsContact CG2-CG1 3.43Å
119P98.9Very high98.3Very high0 Ų033 Ų330%018%0.182CC..Hα-helixtrans-58.3-35.4170.4-23.634.8000112.1L87 W88 S91 V109 S111 A122 A123 L135L87-P119 HydrophobicContact CB-CG 4.47Å; L87-P119 HydrophobicContact CD2-CB 4.36Å; L87-P119 HydrophobicContact CD2-CG 3.95Å; L87-P119 HydrophobicContact CG-CB 4.04Å; L87-P119 HydrophobicContact CG-CG 3.92Å; W88-P119 HydrophobicContact CB-CG 4.25Å; S91-P119 WeakPolarHBondContact CB-O 3.46Å; V109-P119 VanDerWaalsContact O-CD 3.3Å; V109-P119 WeakPolarHBondContact O-CD 3.41Å; V109-P119 WeakPolarHBondContact O-CG 3.44Å; S111-P119 WeakPolarHBondContact O-CD 3.31Å; P119-A122 WeakPolarHBondContact O-CB 3.22Å; P119-A122 PolarHBondContact O-N 2.93Å; P119-A123 PolarHBondContact O-N 2.93Å; P119-L135 HydrophobicContact CB-CD1 4.12Å; P119-L135 HydrophobicContact CB-CD2 4.37Å
120L98.9Very high98.4Very high0 Ų037.2 Ų37.20%020%0.204CC..Hα-helixtrans-60.9-48.7173.8178.963.1000111T118 A122 A123 C124 V132 L135 V136 A140 L142 C152T118-L120 PolarHBondContact O-N 2.96Å; L120-A122 VanDerWaalsContact C-N 3.26Å; L120-A122 PolarHBondContact O-N 3.33Å; L120-A123 PolarHBondContact O-N 3.43Å; L120-C124 PolarHBondContact O-N 3.24Å; L120-C124 PolarHBondContact O-SG 2.96Å; L120-V132 HydrophobicContact CD1-CB 4.32Å; L120-V132 HydrophobicContact CD1-CG1 3.91Å; L120-V132 HydrophobicContact CD1-CG2 4.32Å; L120-L135 HydrophobicContact CB-CD1 4.28Å; L120-L135 HydrophobicContact CD1-CB 4.31Å; L120-V136 HydrophobicContact CD1-CG2 3.81Å; L120-V136 HydrophobicContact CD2-CG2 4.15Å; L120-A140 HydrophobicContact CB-CB 4.11Å; L120-A140 HydrophobicContact CD2-CB 3.96Å; L120-A140 HydrophobicContact CG-CB 4.47Å; L120-L142 HydrophobicContact CD2-CD2 3.7Å; L120-C152 HydrophobicContact CD2-CB 4.42Å; L120-C152 HydrophobicContact CG-CB 4.4Å
121R98.8Very high98.4Very high32 Ų3234.9 Ų34.912%0.12119%0.191CC..Hα-helixtrans-61.1-36.6177.5-163.8-165.9169-68.1-2.2111.9T118 C124 F125 I155T118-R121 PolarHBondContact O-N 2.94Å; T118-R121 VanDerWaalsContact O-N 3.17Å; T118-R121 WeakPolarHBondContact OG1-CB 3.26Å; T118-R121 PolarHBondContact OG1-N 2.97Å; R121-C124 PolarHBondContact O-N 3.28Å; R121-F125 PolarHBondContact O-N 3.45Å; R121-I155 HydrophobicContact CG-CG2 4.06Å
122A98.6Very high98.4Very high4 Ų433.6 Ų33.63%0.03318%0.182CC..Hα-helixtrans-64.7-47.5175.500000112.4W88 A92 T118 P119 L120 C124 F125 D126W88-A122 HydrophobicContact CD2-CB 4.24Å; W88-A122 HydrophobicContact CG-CB 4.48Å; W88-A122 HydrophobicContact CZ2-CB 3.87Å; A92-A122 HydrophobicContact CB-CB 3.91Å; T118-A122 PolarHBondContact O-N 3.34Å; P119-A122 WeakPolarHBondContact O-CB 3.22Å; P119-A122 PolarHBondContact O-N 2.93Å; L120-A122 VanDerWaalsContact C-N 3.26Å; L120-A122 PolarHBondContact O-N 3.33Å; A122-C124 VanDerWaalsContact C-N 3.31Å; A122-C124 PolarHBondContact O-N 3.03Å; A122-F125 WeakPolarHBondContact O-CB 3.3Å; A122-F125 PolarHBondContact O-N 3.21Å; A122-F125 VanDerWaalsContact O-N 3.1Å; A122-D126 PolarHBondContact O-N 2.9Å
123A98.9Very high98.4Very high0 Ų036.3 Ų36.30%019%0.188CC..Hα-helixtrans-61.5-39.1175.400000112.2P119 L120 F125 G127 H128 I131 V132 L135P119-A123 PolarHBondContact O-N 2.93Å; L120-A123 PolarHBondContact O-N 3.43Å; A123-F125 VanDerWaalsContact C-N 3.32Å; A123-F125 PolarHBondContact O-N 3.22Å; A123-G127 PolarHBondContact O-N 3.05Å; A123-H128 HydrophobicContact CB-CB 4.39Å; A123-H128 PolarHBondContact O-N 3.48Å; A123-I131 HydrophobicContact CB-CB 4.08Å; A123-I131 HydrophobicContact CB-CG2 3.62Å; A123-V132 HydrophobicContact CB-CG2 3.76Å; A123-L135 HydrophobicContact CB-CD1 4.24Å
124C98.8Very high98.5Very high0 Ų038.3 Ų38.30%020%0.195CC..Hα-helixtrans-65.9-30.7173.7-67.90000113.2L120 R121 A122 I155 S156 H161 I164L120-C124 PolarHBondContact O-N 3.24Å; L120-C124 PolarHBondContact O-SG 2.96Å; R121-C124 PolarHBondContact O-N 3.28Å; A122-C124 VanDerWaalsContact C-N 3.31Å; A122-C124 PolarHBondContact O-N 3.03Å; C124-I155 HydrophobicContact CB-CG2 3.9Å; C124-S156 WeakPolarHBondContact CB-OG 3.37Å; C124-H161 PolarHBondContact O-CD2 3Å; C124-I164 HydrophobicContact CB-CG2 4.31Å
125F98.4Very high98.5Very high71 Ų7131.9 Ų31.931%0.31116%0.162SC..Hα-helixtrans-66.9-47.3179.2-177.8-89.8000111.1R121 A122 A123 I155 K159 H161R121-F125 PolarHBondContact O-N 3.45Å; A122-F125 WeakPolarHBondContact O-CB 3.3Å; A122-F125 PolarHBondContact O-N 3.21Å; A122-F125 VanDerWaalsContact O-N 3.1Å; A123-F125 VanDerWaalsContact C-N 3.32Å; A123-F125 PolarHBondContact O-N 3.22Å; F125-I155 HydrophobicContact CB-CG1 4.22Å; F125-I155 HydrophobicContact CD2-CD1 3.67Å; F125-I155 HydrophobicContact CD2-CG1 3.64Å; F125-I155 HydrophobicContact CE2-CD1 4.1Å; F125-I155 HydrophobicContact CG-CG1 4.38Å; F125-K159 HydrophobicContact CD2-CD 4.45Å; F125-K159 HydrophobicContact CE2-CD 4.27Å; F125-K159 WeakPolarHBondContact O-CE 3.35Å; F125-H161 PolarHBondContact O-NE2 3Å
126D97.5Very high98.7Very high58 Ų5830.5 Ų30.531%0.3115%0.153SC..Hα-helixtrans-93.2-1.8-175.7-74.2-32.6000114.9A92 A122 H128A92-D126 VanDerWaalsContact O-OD2 3.06Å; A122-D126 PolarHBondContact O-N 2.9Å; D126-H128 VanDerWaalsContact CB-NE2 3.3Å; D126-H128 WeakPolarHBondContact CB-NE2 3.3Å
127G98.3Very high98.7Very high27 Ų2733.2 Ų33.228%0.27816%0.164SC..THydrogen-bonded Turntrans88.722.1170.600000114.9A123 L129 H161A123-G127 PolarHBondContact O-N 3.05Å; G127-L129 PolarHBondContact O-N 3.06Å; G127-H161 WeakPolarHBondContact CA-NE2 3.27Å; G127-H161 PolarHBondContact N-NE2 3.22Å
128H98.8Very high98.7Very high54 Ų5436.6 Ų36.625%0.2518%0.179CC..  trans-83.275.5-176-56.2-51.7000112.1S91 A92 G94 A123 D126 D130 I131 V132S91-H128 PolarHBondContact O-CD2 3.04Å; A92-H128 PolarHBondContact O-CD2 3.3Å; A92-H128 PolarHBondContact O-NE2 3.11Å; G94-H128 WeakPolarHBondContact CA-NE2 3.34Å; G94-H128 PolarHBondContact N-NE2 3.07Å; A123-H128 HydrophobicContact CB-CB 4.39Å; A123-H128 PolarHBondContact O-N 3.48Å; D126-H128 VanDerWaalsContact CB-NE2 3.3Å; D126-H128 WeakPolarHBondContact CB-NE2 3.3Å; H128-D130 VanDerWaalsContact C-N 3.31Å; H128-D130 PolarHBondContact O-N 3.19Å; H128-I131 HydrophobicContact CB-CB 4.02Å; H128-I131 HydrophobicContact CB-CD1 3.94Å; H128-I131 HydrophobicContact CB-CG1 4.17Å; H128-I131 WeakPolarHBondContact O-CB 3.43Å; H128-I131 PolarHBondContact O-N 3.24Å; H128-V132 PolarHBondContact O-N 2.99Å
129L98.8Very high98.7Very high42 Ų4245.2 Ų45.222%0.2222%0.216CC..Hα-helixtrans-53.6-42.2-174.2178.762.5000113.8G127 I131 V132 R133 E163 I164G127-L129 PolarHBondContact O-N 3.06Å; L129-I131 VanDerWaalsContact C-N 3.29Å; L129-I131 PolarHBondContact O-N 2.97Å; L129-V132 WeakPolarHBondContact O-CB 3.45Å; L129-V132 PolarHBondContact O-N 3.29Å; L129-R133 HydrophobicContact CD1-CG 4.32Å; L129-R133 WeakPolarHBondContact O-CG 3.35Å; L129-R133 PolarHBondContact O-N 2.94Å; L129-E163 HydrophobicContact CD2-CB 3.92Å; L129-I164 HydrophobicContact CB-CG1 4.11Å; L129-I164 HydrophobicContact CD1-CG1 3.79Å
130D98.8Very high98.7Very high107 Ų10745.6 Ų45.657%0.57222%0.219SC*.Hα-helixtrans-65.1-36.1-179.1-62-28000111.9L96 H128 Y134L96-D130 HydrophobicContact CD2-CB 3.97Å; H128-D130 VanDerWaalsContact C-N 3.31Å; H128-D130 PolarHBondContact O-N 3.19Å; D130-Y134 WeakPolarHBondContact O-CB 3.07Å; D130-Y134 PolarHBondContact O-N 2.91Å
131I98.9Very high98.6Very high4 Ų449.2 Ų49.22%0.02124%0.238CC..Hα-helixtrans-70.5-42.3174.7-64.2179.1000110G94 L96 V99 A123 H128 L129 R133 Y134 L135G94-I131 VanDerWaalsContact C-CD1 3.47Å; L96-I131 HydrophobicContact CB-CD1 4.42Å; L96-I131 HydrophobicContact CB-CG1 3.97Å; L96-I131 HydrophobicContact CD1-CG1 3.83Å; V99-I131 HydrophobicContact CG1-CG2 4.33Å; V99-I131 HydrophobicContact CG2-CD1 4.24Å; V99-I131 HydrophobicContact CG2-CG2 4.2Å; A123-I131 HydrophobicContact CB-CB 4.08Å; A123-I131 HydrophobicContact CB-CG2 3.62Å; H128-I131 HydrophobicContact CB-CB 4.02Å; H128-I131 HydrophobicContact CB-CD1 3.94Å; H128-I131 HydrophobicContact CB-CG1 4.17Å; H128-I131 WeakPolarHBondContact O-CB 3.43Å; H128-I131 PolarHBondContact O-N 3.24Å; L129-I131 VanDerWaalsContact C-N 3.29Å; L129-I131 PolarHBondContact O-N 2.97Å; I131-R133 VanDerWaalsContact C-N 3.34Å; I131-R133 PolarHBondContact O-N 3.24Å; I131-Y134 PolarHBondContact O-N 3.14Å; I131-L135 HydrophobicContact CG2-CD1 3.67Å; I131-L135 HydrophobicContact CG2-CG 4Å; I131-L135 WeakPolarHBondContact O-CB 3.36Å; I131-L135 WeakPolarHBondContact O-CG 3.32Å; I131-L135 PolarHBondContact O-N 2.78Å
132V98.9Very high98.6Very high0 Ų048.7 Ų48.70%024%0.238CC..Hα-helixtrans-55.6-50.6174.6168.50000110.5L120 A123 H128 L129 Y134 L135 V136 I164 Y167 L168L120-V132 HydrophobicContact CD1-CB 4.32Å; L120-V132 HydrophobicContact CD1-CG1 3.91Å; L120-V132 HydrophobicContact CD1-CG2 4.32Å; A123-V132 HydrophobicContact CB-CG2 3.76Å; H128-V132 PolarHBondContact O-N 2.99Å; L129-V132 WeakPolarHBondContact O-CB 3.45Å; L129-V132 PolarHBondContact O-N 3.29Å; V132-Y134 PolarHBondContact O-N 3.44Å; V132-L135 PolarHBondContact O-N 2.72Å; V132-V136 VanDerWaalsContact O-CG2 3.3Å; V132-V136 WeakPolarHBondContact O-CG2 3.2Å; V132-V136 PolarHBondContact O-N 3.12Å; V132-I164 HydrophobicContact CG1-CG2 4.26Å; V132-I164 HydrophobicContact CG2-CD1 4.14Å; V132-I164 HydrophobicContact CG2-CG1 4.47Å; V132-I164 HydrophobicContact CG2-CG2 4.18Å; V132-Y167 HydrophobicContact CG1-CD1 3.88Å; V132-Y167 HydrophobicContact CG1-CE1 4.13Å; V132-L168 HydrophobicContact CG1-CD2 4.34Å
133R98.8Very high98.6Very high100 Ų10051 Ų5138%0.37725%0.248SC..Hα-helixtrans-57.5-49.8178-71.9178178.1-96.9-4.8111.3L129 I131 L135 V136 E137 Y167L129-R133 HydrophobicContact CD1-CG 4.32Å; L129-R133 WeakPolarHBondContact O-CG 3.35Å; L129-R133 PolarHBondContact O-N 2.94Å; I131-R133 VanDerWaalsContact C-N 3.34Å; I131-R133 PolarHBondContact O-N 3.24Å; R133-L135 PolarHBondContact O-N 3.23Å; R133-V136 PolarHBondContact O-N 3.21Å; R133-E137 WeakPolarHBondContact O-CB 3.46Å; R133-E137 VanDerWaalsContact O-CG 3.28Å; R133-E137 WeakPolarHBondContact O-CG 3.48Å; R133-E137 PolarHBondContact O-N 3.35Å; R133-Y167 HydrophobicContact CB-CE1 4.49Å; R133-Y167 HydrophobicContact CG-CD1 4.36Å; R133-Y167 HydrophobicContact CG-CD2 4.16Å; R133-Y167 HydrophobicContact CG-CE1 4.04Å; R133-Y167 HydrophobicContact CG-CE2 3.8Å; R133-Y167 HydrophobicContact CG-CG 4.41Å
134Y98.9Very high98.6Very high46 Ų4652.8 Ų52.818%0.1826%0.259CS..Hα-helixtrans-61.5-46-178.7-169.3-97.4000112.2L96 V99 Q100 L103 D130 I131 V132 V136 E137 H138L96-Y134 HydrophobicContact CD1-CG 4.38Å; V99-Y134 HydrophobicContact CG1-CD1 4.01Å; V99-Y134 HydrophobicContact CG1-CE1 4.43Å; Q100-Y134 HydrophobicContact CB-CE1 4.26Å; Q100-Y134 HydrophobicContact CG-CD1 4.2Å; Q100-Y134 HydrophobicContact CG-CD2 4.22Å; Q100-Y134 HydrophobicContact CG-CE1 3.73Å; Q100-Y134 HydrophobicContact CG-CE2 3.77Å; Q100-Y134 HydrophobicContact CG-CG 4.42Å; L103-Y134 HydrophobicContact CB-CE1 4.43Å; L103-Y134 HydrophobicContact CD1-CD1 3.86Å; L103-Y134 HydrophobicContact CD1-CE1 3.53Å; D130-Y134 WeakPolarHBondContact O-CB 3.07Å; D130-Y134 PolarHBondContact O-N 2.91Å; I131-Y134 PolarHBondContact O-N 3.14Å; V132-Y134 PolarHBondContact O-N 3.44Å; Y134-V136 PolarHBondContact O-N 3.08Å; Y134-E137 PolarHBondContact O-N 3.28Å; Y134-H138 AromaticContact CD1-ND1 3.87Å; Y134-H138 AromaticContact CD2-CE1 3.72Å; Y134-H138 AromaticContact CD2-ND1 4Å; Y134-H138 AromaticContact CE1-CE1 3.69Å; Y134-H138 AromaticContact CE1-ND1 3.74Å; Y134-H138 AromaticContact CE2-CE1 3.2Å; Y134-H138 WeakPolarHBondContact CE2-CE1 3.46Å; Y134-H138 AromaticContact CE2-ND1 3.86Å; Y134-H138 AromaticContact CE2-NE2 3.9Å; Y134-H138 AromaticContact CZ-CE1 3.17Å; Y134-H138 AromaticContact CZ-ND1 3.71Å; Y134-H138 AromaticContact CZ-NE2 3.49Å; Y134-H138 PolarHBondContact O-N 3.47Å; Y134-H138 PolarHBondContact O-ND1 2.93Å; Y134-H138 PolarHBondContact OH-NE2 3.03Å
135L98.9Very high98.5Very high0 Ų053.3 Ų53.30%026%0.264CS..Hα-helixtrans-61.7-43.9178.4-70.7173.9000111.7L87 V99 L103 V109 P119 L120 A123 I131 V132 R133 H138 K139 A140L87-L135 HydrophobicContact CD1-CD2 4.48Å; V99-L135 HydrophobicContact CG1-CD2 4Å; V99-L135 HydrophobicContact CG1-CG 4.49Å; L103-L135 HydrophobicContact CD1-CD2 3.98Å; V109-L135 HydrophobicContact CG2-CD2 3.92Å; P119-L135 HydrophobicContact CB-CD1 4.12Å; P119-L135 HydrophobicContact CB-CD2 4.37Å; L120-L135 HydrophobicContact CB-CD1 4.28Å; L120-L135 HydrophobicContact CD1-CB 4.31Å; A123-L135 HydrophobicContact CB-CD1 4.24Å; I131-L135 HydrophobicContact CG2-CD1 3.67Å; I131-L135 HydrophobicContact CG2-CG 4Å; I131-L135 WeakPolarHBondContact O-CB 3.36Å; I131-L135 WeakPolarHBondContact O-CG 3.32Å; I131-L135 PolarHBondContact O-N 2.78Å; V132-L135 PolarHBondContact O-N 2.72Å; R133-L135 PolarHBondContact O-N 3.23Å; L135-H138 CarbonylContact O-C 3.59Å; L135-H138 VanDerWaalsContact O-C 3.27Å; L135-H138 WeakPolarHBondContact O-CA 3.33Å; L135-H138 PolarHBondContact O-N 3.34Å; L135-H138 VanDerWaalsContact O-N 3.08Å; L135-K139 PolarHBondContact O-N 3.23Å; L135-A140 HydrophobicContact CB-CB 3.99Å; L135-A140 WeakPolarHBondContact O-CB 3.44Å; L135-A140 PolarHBondContact O-N 3.09Å
136V98.8Very high98.5Very high23 Ų2351 Ų5114%0.13925%0.254CS..Hα-helixtrans-65.5-40.9178.2174.10000111.5L120 V132 R133 Y134 H138 K139 L142 Y167 K171L120-V136 HydrophobicContact CD1-CG2 3.81Å; L120-V136 HydrophobicContact CD2-CG2 4.15Å; V132-V136 VanDerWaalsContact O-CG2 3.3Å; V132-V136 WeakPolarHBondContact O-CG2 3.2Å; V132-V136 PolarHBondContact O-N 3.12Å; R133-V136 PolarHBondContact O-N 3.21Å; Y134-V136 PolarHBondContact O-N 3.08Å; V136-H138 PolarHBondContact O-N 3.05Å; V136-K139 PolarHBondContact O-N 2.9Å; V136-K139 VanDerWaalsContact O-N 3.08Å; V136-L142 HydrophobicContact CG1-CD2 4.28Å; V136-L142 HydrophobicContact CG2-CD2 3.61Å; V136-Y167 HydrophobicContact CB-CE1 3.98Å; V136-Y167 HydrophobicContact CG1-CE1 4.17Å; V136-Y167 HydrophobicContact CG2-CE1 4.02Å; V136-K171 HydrophobicContact CG1-CB 4.42Å; V136-K171 HydrophobicContact CG1-CD 4.32Å; V136-K171 HydrophobicContact CG1-CG 4.09Å
137E98.5Very high98.5Very high124 Ų12455.9 Ų55.958%0.57927%0.268SS*.Hα-helixtrans-61-26.7172.6-72.9165.8-170.400112.5R133 Y134 K139R133-E137 WeakPolarHBondContact O-CB 3.46Å; R133-E137 VanDerWaalsContact O-CG 3.28Å; R133-E137 WeakPolarHBondContact O-CG 3.48Å; R133-E137 PolarHBondContact O-N 3.35Å; Y134-E137 PolarHBondContact O-N 3.28Å; E137-K139 VanDerWaalsContact C-N 3.34Å
138H98.5Very high98.3Very high76 Ų7658.9 Ų58.935%0.35228%0.275SS..THydrogen-bonded Turntrans-97.428.4175.9-65.970.8000113.1L103 Y134 L135 V136 A140L103-H138 HydrophobicContact CD1-CB 3.99Å; Y134-H138 AromaticContact CD1-ND1 3.87Å; Y134-H138 AromaticContact CD2-CE1 3.72Å; Y134-H138 AromaticContact CD2-ND1 4Å; Y134-H138 AromaticContact CE1-CE1 3.69Å; Y134-H138 AromaticContact CE1-ND1 3.74Å; Y134-H138 AromaticContact CE2-CE1 3.2Å; Y134-H138 WeakPolarHBondContact CE2-CE1 3.46Å; Y134-H138 AromaticContact CE2-ND1 3.86Å; Y134-H138 AromaticContact CE2-NE2 3.9Å; Y134-H138 AromaticContact CZ-CE1 3.17Å; Y134-H138 AromaticContact CZ-ND1 3.71Å; Y134-H138 AromaticContact CZ-NE2 3.49Å; Y134-H138 PolarHBondContact O-N 3.47Å; Y134-H138 PolarHBondContact O-ND1 2.93Å; Y134-H138 PolarHBondContact OH-NE2 3.03Å; L135-H138 CarbonylContact O-C 3.59Å; L135-H138 VanDerWaalsContact O-C 3.27Å; L135-H138 WeakPolarHBondContact O-CA 3.33Å; L135-H138 PolarHBondContact O-N 3.34Å; L135-H138 VanDerWaalsContact O-N 3.08Å; V136-H138 PolarHBondContact O-N 3.05Å; H138-A140 PolarHBondContact O-N 3.13Å
139K98.3Very high98.3Very high181 Ų18156.9 Ų56.979%0.78727%0.269SS*.THydrogen-bonded Turntrans67.530.2171.8-48.3175.7-178.6175.80114.6L135 V136 E137 D141L135-K139 PolarHBondContact O-N 3.23Å; V136-K139 PolarHBondContact O-N 2.9Å; V136-K139 VanDerWaalsContact O-N 3.08Å; E137-K139 VanDerWaalsContact C-N 3.34Å; K139-D141 PolarHBondContact O-N 3.07Å
140A98.7Very high98.3Very high9 Ų956.9 Ų56.97%0.07427%0.268CS..  trans-59.2133.2164.500000110.2V109 N110 L120 L135 H138V109-A140 HydrophobicContact CG2-CB 3.76Å; N110-A140 WeakPolarHBondContact OD1-CA 3.34Å; L120-A140 HydrophobicContact CB-CB 4.11Å; L120-A140 HydrophobicContact CD2-CB 3.96Å; L120-A140 HydrophobicContact CG-CB 4.47Å; L135-A140 HydrophobicContact CB-CB 3.99Å; L135-A140 WeakPolarHBondContact O-CB 3.44Å; L135-A140 PolarHBondContact O-N 3.09Å; H138-A140 PolarHBondContact O-N 3.13Å
141D98.6Very high98.3Very high75 Ų7552 Ų5240%0.40124%0.242SC..  trans-82.3121.1177.7-172.4-19000109.8N110 K139 E143 V144N110-D141 PolarHBondContact OD1-N 3.09Å; K139-D141 PolarHBondContact O-N 3.07Å; D141-E143 PolarHBondContact O-N 3.14Å; D141-E143 WeakPolarHBondContact OD1-CB 3.26Å; D141-E143 PolarHBondContact OD1-N 2.86Å; D141-V144 HydrophobicContact CB-CG2 3.71Å
142L98.3Very high98.2Very high22 Ų2251.9 Ų51.912%0.11524%0.241CC..THydrogen-bonded Turntrans-68.2-26.2-178.9-52.4-176.3000112.2L120 V136 L168 K171 A173L120-L142 HydrophobicContact CD2-CD2 3.7Å; V136-L142 HydrophobicContact CG1-CD2 4.28Å; V136-L142 HydrophobicContact CG2-CD2 3.61Å; L142-L168 HydrophobicContact CD2-CD2 3.81Å; L142-K171 HydrophobicContact CD1-CB 3.89Å; L142-A173 HydrophobicContact CD1-CB 4.18Å
143E98.3Very high98.2Very high53 Ų5352 Ų5225%0.24824%0.242CC..THydrogen-bonded Turntrans-98.6-7.4-165.9-62.9-52.4134.600113.5D141 A145 A173 D174 R177D141-E143 PolarHBondContact O-N 3.14Å; D141-E143 WeakPolarHBondContact OD1-CB 3.26Å; D141-E143 PolarHBondContact OD1-N 2.86Å; E143-A145 PolarHBondContact O-N 2.96Å; E143-A145 VanDerWaalsContact O-N 3.09Å; E143-A173 WeakPolarHBondContact OE1-CA 3.48Å; E143-D174 PolarHBondContact OE1-N 3.31Å; E143-R177 PolarHBondContact O-NH1 2.8Å; E143-R177 WeakPolarHBondContact OE2-CG 3.44Å; E143-R177 IonicContact OE2-CZ 3.84Å; E143-R177 IonicContact OE2-NH1 3.75Å; E143-R177 PolarHBondContact OE2-NH1 3.24Å
144V98.1Very high98.2Very high36 Ų3647.3 Ų47.322%0.21822%0.224CC..  trans-68.4107.2171.7178.60000109.1T118 D141T118-V144 HydrophobicContact CG2-CB 3.81Å; T118-V144 HydrophobicContact CG2-CG1 3.43Å; T118-V144 VanDerWaalsContact CG2-CG1 3.43Å; D141-V144 HydrophobicContact CB-CG2 3.71Å
145A97.7Very high98.2Very high12 Ų1245.8 Ų45.810%0.09922%0.219CC..  trans-93.4159.8178.600000111.7N116 E143 H150 T151N116-A145 PolarHBondContact ND2-O 3.29Å; E143-A145 PolarHBondContact O-N 2.96Å; E143-A145 VanDerWaalsContact O-N 3.09Å; A145-H150 WeakPolarHBondContact CA-O 3.26Å; A145-T151 HydrophobicContact CB-CG2 4.24Å
146N98Very high98.2Very high21 Ų2145.8 Ų45.811%0.11222%0.219CC..  trans-66.1175.9169.576.33.7000111.5T115 N116 H148 G149 H150T115-N146 CarbonylContact O-C 3.58Å; T115-N146 WeakPolarHBondContact O-CA 3.38Å; T115-N146 WeakPolarHBondContact O-CB 3.3Å; N116-N146 WeakPolarHBondContact O-CA 3.43Å; N146-H148 PolarHBondContact O-N 3.31Å; N146-H148 WeakPolarHBondContact OD1-CA 3.34Å; N146-H148 WeakPolarHBondContact OD1-CB 3.4Å; N146-H148 PolarHBondContact OD1-N 3.17Å; N146-G149 PolarHBondContact O-N 3.23Å; N146-G149 PolarHBondContact OD1-N 3.05Å; N146-H150 PolarHBondContact N-O 3.01Å; N146-H150 VanDerWaalsContact N-O 3.1Å; N146-H150 PolarHBondContact OD1-N 3.4Å
147R96.7Very high98.2Very high162 Ų16244.7 Ų44.761%0.61121%0.212SC*.THydrogen-bonded Turntrans-57.4-15.2179.470.7176.3-173.5-176.31.7115.2T115T115-R147 PolarHBondContact O-N 3.01Å
148H96.1Very high98.2Very high90 Ų9044 Ų4442%0.41721%0.205SC..THydrogen-bonded Turntrans-99.84.1177.7-59.1-58.4000112.4N146 H150 S179 V180N146-H148 PolarHBondContact O-N 3.31Å; N146-H148 WeakPolarHBondContact OD1-CA 3.34Å; N146-H148 WeakPolarHBondContact OD1-CB 3.4Å; N146-H148 PolarHBondContact OD1-N 3.17Å; H148-H150 VanDerWaalsContact C-N 3.32Å; H148-S179 WeakPolarHBondContact O-CB 3.47Å; H148-V180 PolarHBondContact O-N 3.31Å
149G97.6Very high98.2Very high12 Ų1244.5 Ų44.512%0.12421%0.206CC..  trans77.312.7-178.100000114.3N146 S179N146-G149 PolarHBondContact O-N 3.23Å; N146-G149 PolarHBondContact OD1-N 3.05Å; G149-S179 WeakPolarHBondContact O-CA 3.29Å
150H98.3Very high98.2Very high42 Ų4237.4 Ų37.419%0.19419%0.185CC..  trans-80.8121.8175.1-75.7-101.8000111.5A145 N146 H148 M154A145-H150 WeakPolarHBondContact CA-O 3.26Å; N146-H150 PolarHBondContact N-O 3.01Å; N146-H150 VanDerWaalsContact N-O 3.1Å; N146-H150 PolarHBondContact OD1-N 3.4Å; H148-H150 VanDerWaalsContact C-N 3.32Å; H150-M154 HydrophobicContact CB-SD 4.32Å
151T98.6Very high98.2Very high4 Ų439 Ų393%0.02519%0.191CC..  trans-85.2173.6-177.768.80000112.8A145 L153 M154 I155 R177A145-T151 HydrophobicContact CB-CG2 4.24Å; T151-L153 VanDerWaalsContact C-N 3.34Å; T151-L153 PolarHBondContact OG1-N 3.27Å; T151-M154 HydrophobicContact CG2-CE 4.31Å; T151-M154 HydrophobicContact CG2-SD 4.28Å; T151-M154 PolarHBondContact N-SD 3.32Å; T151-M154 WeakPolarHBondContact OG1-CG 3.27Å; T151-M154 PolarHBondContact OG1-N 3.25Å; T151-I155 PolarHBondContact O-N 3.21Å; T151-R177 HydrophobicContact CG2-CB 3.94Å; T151-R177 HydrophobicContact CG2-CG 4.17Å
152C98.8Very high98.2Very high1 Ų139.1 Ų39.11%0.00719%0.187CC..Hα-helixtrans-64.9-36.4173-62.40000112.3L120 I155 S156 L168L120-C152 HydrophobicContact CD2-CB 4.42Å; L120-C152 HydrophobicContact CG-CB 4.4Å; C152-I155 VanDerWaalsContact O-CG2 3.32Å; C152-I155 WeakPolarHBondContact O-CG2 3.44Å; C152-S156 WeakPolarHBondContact O-CB 3.47Å; C152-S156 PolarHBondContact O-N 2.99Å; C152-S156 VanDerWaalsContact O-N 3.17Å; C152-S156 PolarHBondContact O-OG 3.5Å; C152-L168 HydrophobicContact CB-CD1 4.13Å
153L98.9Very high98.3Very high3 Ų343.7 Ų43.72%0.01621%0.208CC..Hα-helixtrans-65.7-49176179.861.4000111T151 I155 S156 C157 A165 L168 L169 A173 A185 L201T151-L153 VanDerWaalsContact C-N 3.34Å; T151-L153 PolarHBondContact OG1-N 3.27Å; L153-I155 PolarHBondContact O-N 3Å; L153-S156 WeakPolarHBondContact O-CB 3.45Å; L153-S156 PolarHBondContact O-N 3.02Å; L153-S156 VanDerWaalsContact O-N 3.13Å; L153-C157 PolarHBondContact O-N 3.36Å; L153-C157 PolarHBondContact O-SG 2.91Å; L153-A165 HydrophobicContact CD1-CB 4.13Å; L153-L168 HydrophobicContact CB-CD1 4.48Å; L153-L168 HydrophobicContact CD1-CB 4.41Å; L153-L169 HydrophobicContact CD1-CD2 4.26Å; L153-L169 HydrophobicContact CD1-CG 4.05Å; L153-L169 HydrophobicContact CD2-CD2 3.8Å; L153-L169 HydrophobicContact CD2-CG 4.48Å; L153-A173 HydrophobicContact CB-CB 4.45Å; L153-A173 HydrophobicContact CD2-CB 4.35Å; L153-A185 HydrophobicContact CD2-CB 4.3Å; L153-A185 HydrophobicContact CG-CB 4.17Å; L153-L201 HydrophobicContact CD1-CD2 4.29Å; L153-L201 HydrophobicContact CD2-CD2 4.14Å; L153-L201 HydrophobicContact CG-CD2 4.44Å
154M98.8Very high98.3Very high1 Ų141.3 Ų41.31%0.00520%0.197CC..Hα-helixtrans-51.5-52176.5-79.5175.6-170.300112.4H150 T151 S156 C157 Y158 R177 N183 A185 D188H150-M154 HydrophobicContact CB-SD 4.32Å; T151-M154 HydrophobicContact CG2-CE 4.31Å; T151-M154 HydrophobicContact CG2-SD 4.28Å; T151-M154 PolarHBondContact N-SD 3.32Å; T151-M154 WeakPolarHBondContact OG1-CG 3.27Å; T151-M154 PolarHBondContact OG1-N 3.25Å; M154-S156 VanDerWaalsContact C-N 3.31Å; M154-S156 PolarHBondContact O-N 3.33Å; M154-C157 WeakPolarHBondContact O-CB 3.35Å; M154-C157 PolarHBondContact O-N 3.03Å; M154-Y158 PolarHBondContact O-N 3.1Å; M154-R177 VanDerWaalsContact CE-C 3.47Å; M154-R177 HydrophobicContact CE-CB 3.97Å; M154-R177 WeakPolarHBondContact CE-O 3.37Å; M154-N183 VanDerWaalsContact CE-O 3.28Å; M154-N183 WeakPolarHBondContact CE-O 3.36Å; M154-A185 HydrophobicContact CG-CB 4.37Å; M154-D188 WeakPolarHBondContact CA-OD2 3.17Å; M154-D188 WeakPolarHBondContact CB-OD2 3.43Å; M154-D188 VanDerWaalsContact CG-OD2 3.23Å; M154-D188 WeakPolarHBondContact CG-OD2 3.49Å; M154-D188 WeakPolarHBondContact O-CB 3.33Å
155I98.7Very high98.3Very high14 Ų1439.6 Ų39.67%0.07219%0.187CC..Hα-helixtrans-67.9-32.1-178.6-165.758.4000112.8R121 C124 F125 T151 C152 L153 C157 Y158 K159R121-I155 HydrophobicContact CG-CG2 4.06Å; C124-I155 HydrophobicContact CB-CG2 3.9Å; F125-I155 HydrophobicContact CB-CG1 4.22Å; F125-I155 HydrophobicContact CD2-CD1 3.67Å; F125-I155 HydrophobicContact CD2-CG1 3.64Å; F125-I155 HydrophobicContact CE2-CD1 4.1Å; F125-I155 HydrophobicContact CG-CG1 4.38Å; T151-I155 PolarHBondContact O-N 3.21Å; C152-I155 VanDerWaalsContact O-CG2 3.32Å; C152-I155 WeakPolarHBondContact O-CG2 3.44Å; L153-I155 PolarHBondContact O-N 3Å; I155-C157 VanDerWaalsContact C-N 3.35Å; I155-Y158 HydrophobicContact CD1-CD1 4.32Å; I155-Y158 PolarHBondContact O-N 3.44Å; I155-K159 HydrophobicContact CD1-CG 4.14Å; I155-K159 HydrophobicContact CG1-CG 4.27Å; I155-K159 WeakPolarHBondContact O-CB 3.42Å; I155-K159 VanDerWaalsContact O-CG 3.29Å; I155-K159 WeakPolarHBondContact O-CG 3.38Å; I155-K159 PolarHBondContact O-N 2.85Å
156S98.8Very high98.4Very high0 Ų042.5 Ų42.50%020%0.198CC..Hα-helixtrans-65.3-40.7174.7-54.20000111.2C124 C152 L153 M154 G160 H161 I164C124-S156 WeakPolarHBondContact CB-OG 3.37Å; C152-S156 WeakPolarHBondContact O-CB 3.47Å; C152-S156 PolarHBondContact O-N 2.99Å; C152-S156 VanDerWaalsContact O-N 3.17Å; C152-S156 PolarHBondContact O-OG 3.5Å; L153-S156 WeakPolarHBondContact O-CB 3.45Å; L153-S156 PolarHBondContact O-N 3.02Å; L153-S156 VanDerWaalsContact O-N 3.13Å; M154-S156 VanDerWaalsContact C-N 3.31Å; M154-S156 PolarHBondContact O-N 3.33Å; S156-G160 PolarHBondContact O-N 3.41Å; S156-H161 PolarHBondContact O-N 3.16Å; S156-I164 VanDerWaalsContact OG-CG2 3.27Å; S156-I164 WeakPolarHBondContact OG-CG2 3.41Å
157C98.8Very high98.4Very high0 Ų041.8 Ų41.80%019%0.194CC..Hα-helixtrans-64.1-44.5173.9-67.40000112.3L153 M154 I155 K159 G160 D188 C189 S192 S194 I197L153-C157 PolarHBondContact O-N 3.36Å; L153-C157 PolarHBondContact O-SG 2.91Å; M154-C157 WeakPolarHBondContact O-CB 3.35Å; M154-C157 PolarHBondContact O-N 3.03Å; I155-C157 VanDerWaalsContact C-N 3.35Å; C157-K159 PolarHBondContact O-N 3.1Å; C157-G160 PolarHBondContact O-N 3.35Å; C157-D188 HydrophobicContact CB-CB 3.89Å; C157-C189 VanDerWaalsContact CB-SG 3.59Å; C157-S192 PolarHBondContact O-OG 3.17Å; C157-S192 VanDerWaalsContact O-OG 3.08Å; C157-S194 PolarHBondContact O-OG 3.4Å; C157-I197 HydrophobicContact CB-CG2 4.39Å; C157-I197 VanDerWaalsContact SG-CG2 3.56Å
158Y98.7Very high98.5Very high110 Ų11034.1 Ų34.143%0.43117%0.165SC..Hα-helixtrans-65.4-38.8179.4-175.9-99.9000112.1M154 I155 G160 E191 S192M154-Y158 PolarHBondContact O-N 3.1Å; I155-Y158 HydrophobicContact CD1-CD1 4.32Å; I155-Y158 PolarHBondContact O-N 3.44Å; Y158-G160 VanDerWaalsContact C-N 3.32Å; Y158-E191 HydrophobicContact CD2-CB 4.45Å; Y158-E191 HydrophobicContact CE2-CB 4.24Å; Y158-S192 WeakPolarHBondContact O-CB 3.47Å
159K98.4Very high98.7Very high86 Ų8630.2 Ų30.237%0.37415%0.148SC..Hα-helixtrans-83.5-7.7179.6-63.5-72-68.6-166.30113.4F125 I155 C157 H161F125-K159 HydrophobicContact CD2-CD 4.45Å; F125-K159 HydrophobicContact CE2-CD 4.27Å; F125-K159 WeakPolarHBondContact O-CE 3.35Å; I155-K159 HydrophobicContact CD1-CG 4.14Å; I155-K159 HydrophobicContact CG1-CG 4.27Å; I155-K159 WeakPolarHBondContact O-CB 3.42Å; I155-K159 VanDerWaalsContact O-CG 3.29Å; I155-K159 WeakPolarHBondContact O-CG 3.38Å; I155-K159 PolarHBondContact O-N 2.85Å; C157-K159 PolarHBondContact O-N 3.1Å; K159-H161 VanDerWaalsContact CB-CD2 3.45Å; K159-H161 WeakPolarHBondContact CB-CD2 3.46Å; K159-H161 WeakPolarHBondContact CB-NE2 3.33Å
160G98.3Very high98.7Very high33 Ų3334.6 Ų34.634%0.3417%0.165SC..THydrogen-bonded Turntrans78.619.1177.600000114.7S156 C157 Y158 K162 S194S156-G160 PolarHBondContact O-N 3.41Å; C157-G160 PolarHBondContact O-N 3.35Å; Y158-G160 VanDerWaalsContact C-N 3.32Å; G160-K162 PolarHBondContact O-N 2.9Å; G160-S194 WeakPolarHBondContact CA-OG 3.44Å
161H98.8Very high98.7Very high42 Ų4237.9 Ų37.919%0.19418%0.179CC..  trans-81.481.5-178-60.1-46.5000111.2C124 F125 G127 S156 K159 E163 I164 A165C124-H161 PolarHBondContact O-CD2 3Å; F125-H161 PolarHBondContact O-NE2 3Å; G127-H161 WeakPolarHBondContact CA-NE2 3.27Å; G127-H161 PolarHBondContact N-NE2 3.22Å; S156-H161 PolarHBondContact O-N 3.16Å; K159-H161 VanDerWaalsContact CB-CD2 3.45Å; K159-H161 WeakPolarHBondContact CB-CD2 3.46Å; K159-H161 WeakPolarHBondContact CB-NE2 3.33Å; H161-E163 PolarHBondContact O-N 3.4Å; H161-I164 HydrophobicContact CB-CB 4.02Å; H161-I164 HydrophobicContact CB-CD1 4Å; H161-I164 HydrophobicContact CB-CG1 4.24Å; H161-I164 PolarHBondContact O-N 3.39Å; H161-A165 PolarHBondContact O-N 3.41Å
162K98.7Very high98.7Very high77 Ų7740.6 Ų40.634%0.33521%0.207SC..Hα-helixtrans-57.4-47.2-173.1-179.1-178.4174.7177.20113G160 I164 A165 Q166 E196 I197 M200G160-K162 PolarHBondContact O-N 2.9Å; K162-I164 VanDerWaalsContact C-N 3.29Å; K162-I164 PolarHBondContact O-N 3.36Å; K162-A165 PolarHBondContact O-N 2.86Å; K162-Q166 WeakPolarHBondContact O-CB 3.46Å; K162-Q166 PolarHBondContact O-N 3.17Å; K162-E196 HydrophobicContact CD-CB 4.21Å; K162-I197 HydrophobicContact CB-CD1 4.22Å; K162-I197 HydrophobicContact CB-CG1 4Å; K162-I197 HydrophobicContact CG-CG1 4.24Å; K162-M200 HydrophobicContact CG-CE 3.88Å
163E98.8Very high98.7Very high118 Ų11841 Ų4155%0.55121%0.211SC*.Hα-helixtrans-65.9-34.8-176.8-64.775.7-168.100111.7L129 H161 Y167L129-E163 HydrophobicContact CD2-CB 3.92Å; H161-E163 PolarHBondContact O-N 3.4Å; E163-Y167 WeakPolarHBondContact O-CB 3.25Å; E163-Y167 PolarHBondContact O-N 3.23Å
164I98.9Very high98.7Very high3 Ų344.5 Ų44.52%0.01523%0.229CC..Hα-helixtrans-71-49.5175.5-65.8178.8000110C124 L129 V132 S156 H161 K162 Q166 Y167 L168C124-I164 HydrophobicContact CB-CG2 4.31Å; L129-I164 HydrophobicContact CB-CG1 4.11Å; L129-I164 HydrophobicContact CD1-CG1 3.79Å; V132-I164 HydrophobicContact CG1-CG2 4.26Å; V132-I164 HydrophobicContact CG2-CD1 4.14Å; V132-I164 HydrophobicContact CG2-CG1 4.47Å; V132-I164 HydrophobicContact CG2-CG2 4.18Å; S156-I164 VanDerWaalsContact OG-CG2 3.27Å; S156-I164 WeakPolarHBondContact OG-CG2 3.41Å; H161-I164 HydrophobicContact CB-CB 4.02Å; H161-I164 HydrophobicContact CB-CD1 4Å; H161-I164 HydrophobicContact CB-CG1 4.24Å; H161-I164 PolarHBondContact O-N 3.39Å; K162-I164 VanDerWaalsContact C-N 3.29Å; K162-I164 PolarHBondContact O-N 3.36Å; I164-Q166 VanDerWaalsContact C-N 3.27Å; I164-Q166 PolarHBondContact O-N 3.02Å; I164-Y167 PolarHBondContact O-N 3.42Å; I164-Y167 VanDerWaalsContact O-N 3.16Å; I164-L168 HydrophobicContact CG2-CD1 3.91Å; I164-L168 HydrophobicContact CG2-CG 4.27Å; I164-L168 VanDerWaalsContact O-CG 3.29Å; I164-L168 WeakPolarHBondContact O-CG 3.5Å; I164-L168 PolarHBondContact O-N 3.28Å
165A98.8Very high98.7Very high0 Ų045.2 Ų45.20%023%0.234CC..Hα-helixtrans-57.1-43.9177.700000111.2L153 H161 K162 L168 L169 I197L153-A165 HydrophobicContact CD1-CB 4.13Å; H161-A165 PolarHBondContact O-N 3.41Å; K162-A165 PolarHBondContact O-N 2.86Å; A165-L168 PolarHBondContact O-N 3.39Å; A165-L169 VanDerWaalsContact O-CG 3.29Å; A165-L169 WeakPolarHBondContact O-CG 3.19Å; A165-L169 PolarHBondContact O-N 2.96Å; A165-I197 HydrophobicContact CB-CD1 4.46Å; A165-I197 HydrophobicContact CB-CG2 3.86Å
166Q98.8Very high98.6Very high73 Ų7347.2 Ų47.234%0.34124%0.244SC..Hα-helixtrans-59.1-50.4174.7-174.4176.5-17.400111.9K162 I164 L168 L169 E170 M200K162-Q166 WeakPolarHBondContact O-CB 3.46Å; K162-Q166 PolarHBondContact O-N 3.17Å; I164-Q166 VanDerWaalsContact C-N 3.27Å; I164-Q166 PolarHBondContact O-N 3.02Å; Q166-L168 VanDerWaalsContact C-N 3.32Å; Q166-L168 PolarHBondContact O-N 2.83Å; Q166-L169 PolarHBondContact O-N 3.48Å; Q166-E170 HydrophobicContact CG-CG 4.47Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.38Å; Q166-E170 PolarHBondContact NE2-OE1 2.97Å; Q166-E170 WeakPolarHBondContact O-CG 3.17Å; Q166-E170 PolarHBondContact O-N 2.96Å; Q166-M200 VanDerWaalsContact CA-SD 3.56Å; Q166-M200 HydrophobicContact CB-CE 3.9Å; Q166-M200 HydrophobicContact CB-SD 3.55Å; Q166-M200 VanDerWaalsContact CB-SD 3.55Å; Q166-M200 HydrophobicContact CG-CE 4.24Å; Q166-M200 HydrophobicContact CG-SD 3.83Å
167Y98.9Very high98.6Very high7 Ų750.6 Ų50.63%0.02726%0.257CS..Hα-helixtrans-60.5-41.5179.5177.5-99.9000112.2V132 R133 V136 E163 I164 E170 K171V132-Y167 HydrophobicContact CG1-CD1 3.88Å; V132-Y167 HydrophobicContact CG1-CE1 4.13Å; R133-Y167 HydrophobicContact CB-CE1 4.49Å; R133-Y167 HydrophobicContact CG-CD1 4.36Å; R133-Y167 HydrophobicContact CG-CD2 4.16Å; R133-Y167 HydrophobicContact CG-CE1 4.04Å; R133-Y167 HydrophobicContact CG-CE2 3.8Å; R133-Y167 HydrophobicContact CG-CG 4.41Å; V136-Y167 HydrophobicContact CB-CE1 3.98Å; V136-Y167 HydrophobicContact CG1-CE1 4.17Å; V136-Y167 HydrophobicContact CG2-CE1 4.02Å; E163-Y167 WeakPolarHBondContact O-CB 3.25Å; E163-Y167 PolarHBondContact O-N 3.23Å; I164-Y167 PolarHBondContact O-N 3.42Å; I164-Y167 VanDerWaalsContact O-N 3.16Å; Y167-E170 PolarHBondContact O-N 3.03Å; Y167-K171 HydrophobicContact CD1-CG 4.33Å; Y167-K171 HydrophobicContact CD2-CG 4.46Å; Y167-K171 HydrophobicContact CE1-CG 3.94Å; Y167-K171 HydrophobicContact CE2-CD 4.45Å; Y167-K171 VanDerWaalsContact CE2-CE 3.48Å; Y167-K171 HydrophobicContact CE2-CG 4.1Å; Y167-K171 WeakPolarHBondContact O-CB 3.41Å; Y167-K171 VanDerWaalsContact O-CG 3.26Å; Y167-K171 WeakPolarHBondContact O-CG 3.3Å; Y167-K171 PolarHBondContact O-N 3.41Å; Y167-K171 WeakPolarHBondContact OH-CE 3.45Å
168L98.8Very high98.6Very high1 Ų155 Ų551%0.00528%0.276CS..Hα-helixtrans-62.8-42.2177.1-67.4172.9000111.8V132 L142 C152 L153 I164 A165 Q166 K171 G172 A173V132-L168 HydrophobicContact CG1-CD2 4.34Å; L142-L168 HydrophobicContact CD2-CD2 3.81Å; C152-L168 HydrophobicContact CB-CD1 4.13Å; L153-L168 HydrophobicContact CB-CD1 4.48Å; L153-L168 HydrophobicContact CD1-CB 4.41Å; I164-L168 HydrophobicContact CG2-CD1 3.91Å; I164-L168 HydrophobicContact CG2-CG 4.27Å; I164-L168 VanDerWaalsContact O-CG 3.29Å; I164-L168 WeakPolarHBondContact O-CG 3.5Å; I164-L168 PolarHBondContact O-N 3.28Å; A165-L168 PolarHBondContact O-N 3.39Å; Q166-L168 VanDerWaalsContact C-N 3.32Å; Q166-L168 PolarHBondContact O-N 2.83Å; L168-K171 CarbonylContact O-C 3.57Å; L168-K171 PolarHBondContact O-N 3.31Å; L168-G172 PolarHBondContact O-N 3.4Å; L168-A173 HydrophobicContact CB-CB 4.09Å; L168-A173 VanDerWaalsContact O-CB 3.25Å; L168-A173 WeakPolarHBondContact O-CB 3.37Å; L168-A173 PolarHBondContact O-N 3.48Å
169L98.8Very high98.6Very high8 Ų850.1 Ų50.14%0.04226%0.259CS..Hα-helixtrans-63.9-44175.5-70.5167.3000111.8L153 A165 Q166 K171 G172 V175 M200 L201 Y204L153-L169 HydrophobicContact CD1-CD2 4.26Å; L153-L169 HydrophobicContact CD1-CG 4.05Å; L153-L169 HydrophobicContact CD2-CD2 3.8Å; L153-L169 HydrophobicContact CD2-CG 4.48Å; A165-L169 VanDerWaalsContact O-CG 3.29Å; A165-L169 WeakPolarHBondContact O-CG 3.19Å; A165-L169 PolarHBondContact O-N 2.96Å; Q166-L169 PolarHBondContact O-N 3.48Å; L169-K171 PolarHBondContact O-N 3.38Å; L169-G172 PolarHBondContact O-N 3.49Å; L169-V175 HydrophobicContact CD2-CB 4.19Å; L169-V175 HydrophobicContact CD2-CG2 4.03Å; L169-M200 HydrophobicContact CD1-CG 3.97Å; L169-M200 HydrophobicContact CD1-SD 3.86Å; L169-L201 HydrophobicContact CD1-CD2 4.02Å; L169-L201 HydrophobicContact CD2-CD2 4.18Å; L169-Y204 HydrophobicContact CB-CD1 4Å; L169-Y204 HydrophobicContact CB-CE1 3.79Å; L169-Y204 HydrophobicContact CB-CE2 4.34Å; L169-Y204 HydrophobicContact CB-CG 4.36Å; L169-Y204 HydrophobicContact CD1-CD2 4.09Å; L169-Y204 HydrophobicContact CD1-CE2 4.34Å; L169-Y204 HydrophobicContact CD1-CG 4.27Å; L169-Y204 HydrophobicContact CD2-CD1 4.26Å; L169-Y204 HydrophobicContact CD2-CG 4.24Å
170E98.6Very high98.5Very high104 Ų10451.6 Ų51.649%0.48627%0.274SS..Hα-helixtrans-61.5-27.5174.9-72.1171.8-173.800112.4Q166 Y167 G172Q166-E170 HydrophobicContact CG-CG 4.47Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.38Å; Q166-E170 PolarHBondContact NE2-OE1 2.97Å; Q166-E170 WeakPolarHBondContact O-CG 3.17Å; Q166-E170 PolarHBondContact O-N 2.96Å; Y167-E170 PolarHBondContact O-N 3.03Å; E170-G172 VanDerWaalsContact C-N 3.33Å
171K98.6Very high98.4Very high111 Ų11155.7 Ų55.748%0.48328%0.283SS..THydrogen-bonded Turntrans-88.74.5175-65.4-64.8-179.4-175.30114.1V136 L142 Y167 L168 L169V136-K171 HydrophobicContact CG1-CB 4.42Å; V136-K171 HydrophobicContact CG1-CD 4.32Å; V136-K171 HydrophobicContact CG1-CG 4.09Å; L142-K171 HydrophobicContact CD1-CB 3.89Å; Y167-K171 HydrophobicContact CD1-CG 4.33Å; Y167-K171 HydrophobicContact CD2-CG 4.46Å; Y167-K171 HydrophobicContact CE1-CG 3.94Å; Y167-K171 HydrophobicContact CE2-CD 4.45Å; Y167-K171 VanDerWaalsContact CE2-CE 3.48Å; Y167-K171 HydrophobicContact CE2-CG 4.1Å; Y167-K171 WeakPolarHBondContact O-CB 3.41Å; Y167-K171 VanDerWaalsContact O-CG 3.26Å; Y167-K171 WeakPolarHBondContact O-CG 3.3Å; Y167-K171 PolarHBondContact O-N 3.41Å; Y167-K171 WeakPolarHBondContact OH-CE 3.45Å; L168-K171 CarbonylContact O-C 3.57Å; L168-K171 PolarHBondContact O-N 3.31Å; L169-K171 PolarHBondContact O-N 3.38Å
172G98Very high98.3Very high60 Ų6054.2 Ų54.262%0.61928%0.279SS*.THydrogen-bonded Turntrans87.424.2172.100000114.9L168 L169 E170 D174L168-G172 PolarHBondContact O-N 3.4Å; L169-G172 PolarHBondContact O-N 3.49Å; E170-G172 VanDerWaalsContact C-N 3.33Å; G172-D174 PolarHBondContact O-N 2.95Å
173A98.6Very high98.3Very high11 Ų1151.5 Ų51.59%0.09127%0.269CS..  trans-58.2135.617000000111L142 E143 L153 L168 V175L142-A173 HydrophobicContact CD1-CB 4.18Å; E143-A173 WeakPolarHBondContact OE1-CA 3.48Å; L153-A173 HydrophobicContact CB-CB 4.45Å; L153-A173 HydrophobicContact CD2-CB 4.35Å; L168-A173 HydrophobicContact CB-CB 4.09Å; L168-A173 VanDerWaalsContact O-CB 3.25Å; L168-A173 WeakPolarHBondContact O-CB 3.37Å; L168-A173 PolarHBondContact O-N 3.48Å; A173-V175 PolarHBondContact O-N 3.07Å
174D98.6Very high98.2Very high76 Ų7646.1 Ų46.141%0.40624%0.243SC..  trans-73.3112.8179.8175.68.2000111E143 G172 N176 R177E143-D174 PolarHBondContact OE1-N 3.31Å; G172-D174 PolarHBondContact O-N 2.95Å; D174-N176 VanDerWaalsContact C-N 3.28Å; D174-N176 PolarHBondContact O-N 2.72Å; D174-N176 PolarHBondContact OD1-N 3.43Å; D174-R177 HydrophobicContact CB-CG 3.71Å; D174-R177 WeakPolarHBondContact O-CG 3.44Å; D174-R177 WeakPolarHBondContact OD2-CD 3.37Å
175V98.5Very high98.2Very high15 Ų1546 Ų469%0.09124%0.244CC..THydrogen-bonded Turntrans-68.7-23.2-176.376.90000113.5L169 A173 L201 A206L169-V175 HydrophobicContact CD2-CB 4.19Å; L169-V175 HydrophobicContact CD2-CG2 4.03Å; A173-V175 PolarHBondContact O-N 3.07Å; V175-L201 HydrophobicContact CG2-CB 4.13Å; V175-L201 HydrophobicContact CG2-CD2 3.56Å; V175-L201 HydrophobicContact CG2-CG 4.42Å; V175-A206 HydrophobicContact CG1-CB 4.35Å; V175-A206 HydrophobicContact CG2-CB 3.68Å
176N98.4Very high98.2Very high56 Ų5646.2 Ų46.230%0.29924%0.244SC..THydrogen-bonded Turntrans-105.511.3-173.9-71.2-56.9000113.1D174 K178 G205 A206 T207D174-N176 VanDerWaalsContact C-N 3.28Å; D174-N176 PolarHBondContact O-N 2.72Å; D174-N176 PolarHBondContact OD1-N 3.43Å; N176-K178 PolarHBondContact O-N 3.04Å; N176-G205 PolarHBondContact ND2-O 2.98Å; N176-A206 WeakPolarHBondContact OD1-CA 3.41Å; N176-T207 PolarHBondContact OD1-N 3.47Å; N176-T207 PolarHBondContact OD1-OG1 3.19Å
177R98.4Very high98.2Very high71 Ų7142.7 Ų42.727%0.26823%0.228SC..  trans-54.1143.2171.7-71.4-68.1-60.3-83.51.3110.8E143 T151 M154 D174E143-R177 PolarHBondContact O-NH1 2.8Å; E143-R177 WeakPolarHBondContact OE2-CG 3.44Å; E143-R177 IonicContact OE2-CZ 3.84Å; E143-R177 IonicContact OE2-NH1 3.75Å; E143-R177 PolarHBondContact OE2-NH1 3.24Å; T151-R177 HydrophobicContact CG2-CB 3.94Å; T151-R177 HydrophobicContact CG2-CG 4.17Å; M154-R177 VanDerWaalsContact CE-C 3.47Å; M154-R177 HydrophobicContact CE-CB 3.97Å; M154-R177 WeakPolarHBondContact CE-O 3.37Å; D174-R177 HydrophobicContact CB-CG 3.71Å; D174-R177 WeakPolarHBondContact O-CG 3.44Å; D174-R177 WeakPolarHBondContact OD2-CD 3.37Å
178K98.3Very high98.2Very high92 Ų9242.6 Ų42.640%0.423%0.228SC..  trans-114.3139.7174.1-68.7-174.9179.1-172.60111.2N176 N183 T184 E209N176-K178 PolarHBondContact O-N 3.04Å; K178-N183 CarbonylContact C-O 3.45Å; K178-N183 WeakPolarHBondContact CA-O 3.32Å; K178-T184 HydrophobicContact CG-CG2 3.96Å; K178-E209 WeakPolarHBondContact CE-OE2 3.22Å; K178-E209 IonicContact NZ-OE2 3.57Å; K178-E209 PolarHBondContact NZ-OE2 3.11Å
179S98.1Very high98.2Very high9 Ų942.5 Ų42.56%0.06323%0.227CC..  trans-69.3173.3166.887.80000110.7H148 G149 K181 G182 N183H148-S179 WeakPolarHBondContact O-CB 3.47Å; G149-S179 WeakPolarHBondContact O-CA 3.29Å; S179-K181 PolarHBondContact O-N 3.39Å; S179-K181 PolarHBondContact OG-N 2.77Å; S179-G182 PolarHBondContact O-N 2.96Å; S179-G182 PolarHBondContact OG-N 3.15Å; S179-N183 PolarHBondContact N-O 3.33Å; S179-N183 PolarHBondContact OG-N 2.82Å; S179-N183 VanDerWaalsContact OG-N 3.16Å
180V97.1Very high98.2Very high116 Ų11642.1 Ų42.170%0.70323%0.225SC*.THydrogen-bonded Turntrans-58.2-29.91751730000111.7H148H148-V180 PolarHBondContact O-N 3.31Å
181K95.2Very high98.2Very high119 Ų11940 Ų4052%0.51722%0.215SC..THydrogen-bonded Turntrans-94.411.1176.3-65.4-171.9176.1-170.70113.3S179 N183 G212 Y213S179-K181 PolarHBondContact O-N 3.39Å; S179-K181 PolarHBondContact OG-N 2.77Å; K181-N183 VanDerWaalsContact C-N 3.33Å; K181-N183 PolarHBondContact O-N 2.97Å; K181-G212 WeakPolarHBondContact O-CA 3.25Å; K181-G212 PolarHBondContact O-N 3.29Å; K181-Y213 HydrophobicContact CD-CE2 4.39Å; K181-Y213 PolarHBondContact NZ-OH 2.92Å; K181-Y213 VanDerWaalsContact NZ-OH 3.17Å
182G97.5Very high98.2Very high12 Ų1236.4 Ų36.412%0.12420%0.204CC..  trans82.3-0.417800000115.7S179S179-G182 PolarHBondContact O-N 2.96Å; S179-G182 PolarHBondContact OG-N 3.15Å
183N97.7Very high98.2Very high20 Ų2034.1 Ų34.111%0.10718%0.181CC..  trans-62.4139.3177.4-62.932.5000110.3M154 K178 S179 K181 H187M154-N183 VanDerWaalsContact CE-O 3.28Å; M154-N183 WeakPolarHBondContact CE-O 3.36Å; K178-N183 CarbonylContact C-O 3.45Å; K178-N183 WeakPolarHBondContact CA-O 3.32Å; S179-N183 PolarHBondContact N-O 3.33Å; S179-N183 PolarHBondContact OG-N 2.82Å; S179-N183 VanDerWaalsContact OG-N 3.16Å; K181-N183 VanDerWaalsContact C-N 3.33Å; K181-N183 PolarHBondContact O-N 2.97Å; N183-H187 HydrophobicContact CB-CB 4.45Å
184T98.6Very high98.2Very high4 Ų434.5 Ų34.53%0.02518%0.183CC..  trans-115.7168.4174.968.50000110.5K178 L186 H187 D188K178-T184 HydrophobicContact CG-CG2 3.96Å; T184-L186 PolarHBondContact O-N 3.25Å; T184-L186 VanDerWaalsContact O-N 3.13Å; T184-L186 PolarHBondContact OG1-N 3.2Å; T184-H187 PolarHBondContact N-ND1 3.2Å; T184-H187 WeakPolarHBondContact O-CA 3.4Å; T184-H187 WeakPolarHBondContact O-CB 3.44Å; T184-H187 PolarHBondContact O-N 2.83Å; T184-H187 PolarHBondContact OG1-ND1 3.01Å; T184-D188 PolarHBondContact O-N 2.94Å
185A98.7Very high98.2Very high2 Ų232.3 Ų32.32%0.01717%0.171CC..Hα-helixtrans-57.8-27.5174.300000113.2L153 M154 D188 C189 L201L153-A185 HydrophobicContact CD2-CB 4.3Å; L153-A185 HydrophobicContact CG-CB 4.17Å; M154-A185 HydrophobicContact CG-CB 4.37Å; A185-D188 PolarHBondContact O-N 2.78Å; A185-C189 PolarHBondContact O-N 3.41Å; A185-L201 HydrophobicContact CB-CD1 3.8Å; A185-L201 HydrophobicContact CB-CD2 4.16Å
186L98.8Very high98.2Very high3 Ų336.5 Ų36.52%0.01619%0.189CC..Hα-helixtrans-68-36.1172.7-73.1175.3000112.5T184 C189 A190 M198 L201 L202 A206 T207 M208 P217T184-L186 PolarHBondContact O-N 3.25Å; T184-L186 VanDerWaalsContact O-N 3.13Å; T184-L186 PolarHBondContact OG1-N 3.2Å; L186-C189 PolarHBondContact O-N 2.92Å; L186-A190 WeakPolarHBondContact O-CB 3.29Å; L186-A190 PolarHBondContact O-N 3.32Å; L186-M198 HydrophobicContact CD2-CG 3.88Å; L186-L201 HydrophobicContact CD2-CB 3.8Å; L186-L201 HydrophobicContact CD2-CD1 3.91Å; L186-L201 HydrophobicContact CG-CB 4.48Å; L186-L201 HydrophobicContact CG-CD1 4.32Å; L186-L202 HydrophobicContact CD1-CD2 4.13Å; L186-L202 HydrophobicContact CD2-CD2 4.22Å; L186-L202 HydrophobicContact CD2-CG 4.15Å; L186-A206 HydrophobicContact CD1-CB 3.62Å; L186-A206 HydrophobicContact CD2-CB 4.17Å; L186-A206 HydrophobicContact CG-CB 3.84Å; L186-T207 WeakPolarHBondContact CD1-O 3.34Å; L186-M208 HydrophobicContact CD1-CG 3.9Å; L186-P217 HydrophobicContact CB-CB 4.06Å; L186-P217 HydrophobicContact CB-CG 3.62Å; L186-P217 HydrophobicContact CD1-CG 4.47Å
187H98.8Very high98.2Very high0 Ų034 Ų340%018%0.176CC..Hα-helixtrans-63.7-45.2172.9-66.882.6000110.2N183 T184 C189 A190 E191 E209 M215 S220N183-H187 HydrophobicContact CB-CB 4.45Å; T184-H187 PolarHBondContact N-ND1 3.2Å; T184-H187 WeakPolarHBondContact O-CA 3.4Å; T184-H187 WeakPolarHBondContact O-CB 3.44Å; T184-H187 PolarHBondContact O-N 2.83Å; T184-H187 PolarHBondContact OG1-ND1 3.01Å; H187-C189 VanDerWaalsContact C-N 3.32Å; H187-C189 PolarHBondContact O-N 3.44Å; H187-A190 CarbonylContact O-C 3.47Å; H187-A190 WeakPolarHBondContact O-CA 3.29Å; H187-A190 WeakPolarHBondContact O-CB 3.41Å; H187-A190 PolarHBondContact O-N 3.27Å; H187-E191 WeakPolarHBondContact O-CG 3.46Å; H187-E191 PolarHBondContact O-N 2.82Å; H187-E209 PolarHBondContact CE1-O 3.29Å; H187-E209 PolarHBondContact NE2-O 3.18Å; H187-M215 PolarHBondContact NE2-O 3.09Å; H187-S220 PolarHBondContact CD2-OG 3.16Å
188D98.8Very high98.3Very high4 Ų430.6 Ų30.62%0.02116%0.163CC..Hα-helixtrans-60.5-39177.3-70.4-47.9000112.7M154 C157 T184 A185 S192M154-D188 WeakPolarHBondContact CA-OD2 3.17Å; M154-D188 WeakPolarHBondContact CB-OD2 3.43Å; M154-D188 VanDerWaalsContact CG-OD2 3.23Å; M154-D188 WeakPolarHBondContact CG-OD2 3.49Å; M154-D188 WeakPolarHBondContact O-CB 3.33Å; C157-D188 HydrophobicContact CB-CB 3.89Å; T184-D188 PolarHBondContact O-N 2.94Å; A185-D188 PolarHBondContact O-N 2.78Å; D188-S192 WeakPolarHBondContact O-CB 3.31Å; D188-S192 PolarHBondContact O-N 3.25Å; D188-S192 VanDerWaalsContact O-N 3.1Å; D188-S192 PolarHBondContact O-OG 3.1Å
189C98.8Very high98.3Very high0 Ų031 Ų310%016%0.162CC..Hα-helixtrans-65.7-39.7171.4-74.40000112.6C157 A185 L186 H187 S192 G193 S194 I197 M198C157-C189 VanDerWaalsContact CB-SG 3.59Å; A185-C189 PolarHBondContact O-N 3.41Å; L186-C189 PolarHBondContact O-N 2.92Å; H187-C189 VanDerWaalsContact C-N 3.32Å; H187-C189 PolarHBondContact O-N 3.44Å; C189-S192 PolarHBondContact O-OG 2.99Å; C189-G193 WeakPolarHBondContact O-CA 3.33Å; C189-G193 PolarHBondContact O-N 2.92Å; C189-S194 PolarHBondContact O-N 3.49Å; C189-I197 VanDerWaalsContact SG-CG2 3.59Å; C189-M198 HydrophobicContact CB-CB 3.92Å; C189-M198 HydrophobicContact CB-CE 3.89Å
190A98.7Very high98.3Very high0 Ų031.3 Ų31.30%016%0.163CC..Hα-helixtrans-67.6-35.4178.800000112.4L186 H187 M198 P217 A221 T224 H226 I229L186-A190 WeakPolarHBondContact O-CB 3.29Å; L186-A190 PolarHBondContact O-N 3.32Å; H187-A190 CarbonylContact O-C 3.47Å; H187-A190 WeakPolarHBondContact O-CA 3.29Å; H187-A190 WeakPolarHBondContact O-CB 3.41Å; H187-A190 PolarHBondContact O-N 3.27Å; A190-M198 HydrophobicContact CB-CE 3.91Å; A190-P217 HydrophobicContact CB-CB 4.14Å; A190-P217 WeakPolarHBondContact CB-O 3.43Å; A190-A221 HydrophobicContact CB-CB 4.07Å; A190-T224 PolarHBondContact O-OG1 3.22Å; A190-H226 PolarHBondContact O-CD2 3.38Å; A190-I229 HydrophobicContact CB-CG2 4.33Å
191E98.4Very high98.4Very high59 Ų5925.8 Ų25.828%0.27613%0.13SC..Hα-helixtrans-78.6-26178.6-71.6-179.8-146.300113.3Y158 H187 T224 H226Y158-E191 HydrophobicContact CD2-CB 4.45Å; Y158-E191 HydrophobicContact CE2-CB 4.24Å; H187-E191 WeakPolarHBondContact O-CG 3.46Å; H187-E191 PolarHBondContact O-N 2.82Å; E191-T224 HydrophobicContact CB-CG2 4.17Å; E191-T224 HydrophobicContact CG-CG2 4.06Å; E191-H226 PolarHBondContact O-CD2 3.49Å; E191-H226 VanDerWaalsContact O-CD2 3.26Å; E191-H226 PolarHBondContact O-NE2 2.69Å
192S98.3Very high98.5Very high35 Ų3521.3 Ų21.325%0.24511%0.111CC..Hα-helixtrans-95.6-15.4177.868.30000114.4C157 Y158 D188 C189 S194C157-S192 PolarHBondContact O-OG 3.17Å; C157-S192 VanDerWaalsContact O-OG 3.08Å; Y158-S192 WeakPolarHBondContact O-CB 3.47Å; D188-S192 WeakPolarHBondContact O-CB 3.31Å; D188-S192 PolarHBondContact O-N 3.25Å; D188-S192 VanDerWaalsContact O-N 3.1Å; D188-S192 PolarHBondContact O-OG 3.1Å; C189-S192 PolarHBondContact O-OG 2.99Å; S192-S194 VanDerWaalsContact C-N 3.34Å; S192-S194 WeakPolarHBondContact OG-CB 3.44Å; S192-S194 PolarHBondContact OG-N 2.98Å; S192-S194 PolarHBondContact OG-OG 2.96Å
193G98.4Very high98.5Very high12 Ų1228.2 Ų28.212%0.12414%0.14CC..THydrogen-bonded Turntrans78.417.1-17500000113.8C189 L195 H226 N228C189-G193 WeakPolarHBondContact O-CA 3.33Å; C189-G193 PolarHBondContact O-N 2.92Å; G193-L195 VanDerWaalsContact C-N 3.31Å; G193-L195 PolarHBondContact O-N 3.21Å; G193-H226 PolarHBondContact N-CD2 2.78Å; G193-N228 PolarHBondContact O-ND2 3.23Å
194S98.6Very high98.5Very high20 Ų2032.3 Ų32.314%0.1416%0.155CC..  trans-77.569.7-175.4-630000112.9C157 G160 C189 S192 E196 I197 M198C157-S194 PolarHBondContact O-OG 3.4Å; G160-S194 WeakPolarHBondContact CA-OG 3.44Å; C189-S194 PolarHBondContact O-N 3.49Å; S192-S194 VanDerWaalsContact C-N 3.34Å; S192-S194 WeakPolarHBondContact OG-CB 3.44Å; S192-S194 PolarHBondContact OG-N 2.98Å; S192-S194 PolarHBondContact OG-OG 2.96Å; S194-E196 VanDerWaalsContact C-N 3.35Å; S194-E196 PolarHBondContact O-N 2.98Å; S194-I197 PolarHBondContact O-N 3.13Å; S194-M198 PolarHBondContact O-N 3.36Å
195L98.6Very high98.4Very high29 Ų2934.2 Ų34.215%0.15218%0.175CC..Hα-helixtrans-59-40.7-173.9178.560.3000113.7G193 I197 M198 R199 N228 I229 Y232G193-L195 VanDerWaalsContact C-N 3.31Å; G193-L195 PolarHBondContact O-N 3.21Å; L195-I197 VanDerWaalsContact C-N 3.33Å; L195-I197 PolarHBondContact O-N 3.37Å; L195-M198 WeakPolarHBondContact O-CB 3.38Å; L195-M198 PolarHBondContact O-N 2.95Å; L195-R199 HydrophobicContact CD1-CG 4.42Å; L195-R199 WeakPolarHBondContact O-CG 3.35Å; L195-R199 PolarHBondContact O-N 2.93Å; L195-N228 HydrophobicContact CD2-CB 4.28Å; L195-I229 VanDerWaalsContact CA-CD1 3.48Å; L195-I229 HydrophobicContact CB-CD1 3.79Å; L195-I229 HydrophobicContact CD1-CD1 3.98Å; L195-I229 HydrophobicContact CG-CD1 4.5Å; L195-Y232 HydrophobicContact CD1-CD1 3.69Å; L195-Y232 HydrophobicContact CD1-CD2 4.36Å; L195-Y232 HydrophobicContact CD1-CE1 4.46Å; L195-Y232 HydrophobicContact CD1-CG 3.63Å
196E98.6Very high98.4Very high103 Ų10334.2 Ų34.248%0.48118%0.175SC..Hα-helixtrans-65.7-37.6-179-65-56.3124.200112.2K162 S194 M200K162-E196 HydrophobicContact CD-CB 4.21Å; S194-E196 VanDerWaalsContact C-N 3.35Å; S194-E196 PolarHBondContact O-N 2.98Å; E196-M200 PolarHBondContact O-N 3.49Å
197I98.8Very high98.3Very high4 Ų436.6 Ų36.62%0.02119%0.19CC..Hα-helixtrans-71-41.2175.4-53.2-179.3000109.7C157 K162 A165 C189 S194 L195 R199 M200 L201C157-I197 HydrophobicContact CB-CG2 4.39Å; C157-I197 VanDerWaalsContact SG-CG2 3.56Å; K162-I197 HydrophobicContact CB-CD1 4.22Å; K162-I197 HydrophobicContact CB-CG1 4Å; K162-I197 HydrophobicContact CG-CG1 4.24Å; A165-I197 HydrophobicContact CB-CD1 4.46Å; A165-I197 HydrophobicContact CB-CG2 3.86Å; C189-I197 VanDerWaalsContact SG-CG2 3.59Å; S194-I197 PolarHBondContact O-N 3.13Å; L195-I197 VanDerWaalsContact C-N 3.33Å; L195-I197 PolarHBondContact O-N 3.37Å; I197-R199 VanDerWaalsContact C-N 3.33Å; I197-R199 PolarHBondContact O-N 3.24Å; I197-M200 WeakPolarHBondContact O-CA 3.13Å; I197-M200 WeakPolarHBondContact O-CB 3.31Å; I197-M200 PolarHBondContact O-N 2.88Å; I197-M200 VanDerWaalsContact O-N 3.09Å; I197-L201 HydrophobicContact CG2-CD1 4.42Å; I197-L201 HydrophobicContact CG2-CG 4.33Å; I197-L201 WeakPolarHBondContact O-CG 3.47Å; I197-L201 PolarHBondContact O-N 3.04Å
198M98.8Very high98.2Very high0 Ų038.3 Ų38.30%020%0.199CC..Hα-helixtrans-56.3-46175.2179.4172.3-74.600112.4L186 C189 A190 S194 L195 M200 L201 L202 I229 Y232 L233L186-M198 HydrophobicContact CD2-CG 3.88Å; C189-M198 HydrophobicContact CB-CB 3.92Å; C189-M198 HydrophobicContact CB-CE 3.89Å; A190-M198 HydrophobicContact CB-CE 3.91Å; S194-M198 PolarHBondContact O-N 3.36Å; L195-M198 WeakPolarHBondContact O-CB 3.38Å; L195-M198 PolarHBondContact O-N 2.95Å; M198-M200 VanDerWaalsContact C-N 3.27Å; M198-M200 PolarHBondContact O-N 2.94Å; M198-L201 PolarHBondContact O-N 3.06Å; M198-L202 HydrophobicContact CG-CD1 4.22Å; M198-L202 WeakPolarHBondContact O-CG 3.38Å; M198-L202 PolarHBondContact O-N 2.98Å; M198-I229 HydrophobicContact CB-CD1 4.48Å; M198-I229 HydrophobicContact CE-CD1 4Å; M198-I229 HydrophobicContact CE-CG2 3.59Å; M198-I229 HydrophobicContact SD-CD1 3.92Å; M198-I229 HydrophobicContact SD-CG2 3.72Å; M198-Y232 HydrophobicContact SD-CD1 4.47Å; M198-L233 HydrophobicContact CE-CD1 4.14Å; M198-L233 HydrophobicContact SD-CD1 3.78Å; M198-L233 HydrophobicContact SD-CD2 3.85Å; M198-L233 HydrophobicContact SD-CG 3.85Å
199R98.5Very high98Very high99 Ų9941.9 Ų41.937%0.37422%0.215SC..Hα-helixtrans-58.3-42.6175.8-72.4176.1-177.3-123.31.9111.4L195 I197 L202 Q203 Y232L195-R199 HydrophobicContact CD1-CG 4.42Å; L195-R199 WeakPolarHBondContact O-CG 3.35Å; L195-R199 PolarHBondContact O-N 2.93Å; I197-R199 VanDerWaalsContact C-N 3.33Å; I197-R199 PolarHBondContact O-N 3.24Å; R199-L202 PolarHBondContact O-N 3.28Å; R199-Q203 VanDerWaalsContact O-CG 3.3Å; R199-Q203 WeakPolarHBondContact O-CG 3.36Å; R199-Q203 PolarHBondContact O-N 3.23Å; R199-Q203 VanDerWaalsContact O-N 3.08Å; R199-Y232 HydrophobicContact CG-CE1 4.15Å; R199-Y232 HydrophobicContact CG-CE2 4.22Å
200M98.6Very high98Very high17 Ų1747.9 Ų47.98%0.08424%0.238CC..Hα-helixtrans-63.2-48.1176.9-167.6-173.8-51.400111.6K162 Q166 L169 E196 I197 M198 L202 Q203 Y204K162-M200 HydrophobicContact CG-CE 3.88Å; Q166-M200 VanDerWaalsContact CA-SD 3.56Å; Q166-M200 HydrophobicContact CB-CE 3.9Å; Q166-M200 HydrophobicContact CB-SD 3.55Å; Q166-M200 VanDerWaalsContact CB-SD 3.55Å; Q166-M200 HydrophobicContact CG-CE 4.24Å; Q166-M200 HydrophobicContact CG-SD 3.83Å; L169-M200 HydrophobicContact CD1-CG 3.97Å; L169-M200 HydrophobicContact CD1-SD 3.86Å; E196-M200 PolarHBondContact O-N 3.49Å; I197-M200 WeakPolarHBondContact O-CA 3.13Å; I197-M200 WeakPolarHBondContact O-CB 3.31Å; I197-M200 PolarHBondContact O-N 2.88Å; I197-M200 VanDerWaalsContact O-N 3.09Å; M198-M200 VanDerWaalsContact C-N 3.27Å; M198-M200 PolarHBondContact O-N 2.94Å; M200-L202 VanDerWaalsContact C-N 3.3Å; M200-L202 PolarHBondContact O-N 2.89Å; M200-Q203 WeakPolarHBondContact O-CB 3.09Å; M200-Q203 PolarHBondContact O-N 3Å; M200-Q203 VanDerWaalsContact O-N 3.07Å; M200-Y204 HydrophobicContact CG-CD2 4.17Å; M200-Y204 HydrophobicContact CG-CE2 4.1Å; M200-Y204 WeakPolarHBondContact O-CD2 3.37Å; M200-Y204 PolarHBondContact O-N 2.89Å
201L98.7Very high97.9Very high0 Ų048.7 Ų48.70%024%0.242CC..Hα-helixtrans-56.8-44177.4-65.4173.2000111.8L153 L169 V175 A185 L186 I197 M198 Q203 Y204 G205 A206L153-L201 HydrophobicContact CD1-CD2 4.29Å; L153-L201 HydrophobicContact CD2-CD2 4.14Å; L153-L201 HydrophobicContact CG-CD2 4.44Å; L169-L201 HydrophobicContact CD1-CD2 4.02Å; L169-L201 HydrophobicContact CD2-CD2 4.18Å; V175-L201 HydrophobicContact CG2-CB 4.13Å; V175-L201 HydrophobicContact CG2-CD2 3.56Å; V175-L201 HydrophobicContact CG2-CG 4.42Å; A185-L201 HydrophobicContact CB-CD1 3.8Å; A185-L201 HydrophobicContact CB-CD2 4.16Å; L186-L201 HydrophobicContact CD2-CB 3.8Å; L186-L201 HydrophobicContact CD2-CD1 3.91Å; L186-L201 HydrophobicContact CG-CB 4.48Å; L186-L201 HydrophobicContact CG-CD1 4.32Å; I197-L201 HydrophobicContact CG2-CD1 4.42Å; I197-L201 HydrophobicContact CG2-CG 4.33Å; I197-L201 WeakPolarHBondContact O-CG 3.47Å; I197-L201 PolarHBondContact O-N 3.04Å; M198-L201 PolarHBondContact O-N 3.06Å; L201-Q203 VanDerWaalsContact C-N 3.33Å; L201-Q203 PolarHBondContact O-N 3.3Å; L201-Y204 CarbonylContact O-C 3.53Å; L201-Y204 WeakPolarHBondContact O-CA 3.46Å; L201-Y204 PolarHBondContact O-N 3.32Å; L201-Y204 VanDerWaalsContact O-N 3.09Å; L201-G205 PolarHBondContact O-N 3.44Å; L201-A206 HydrophobicContact CB-CB 3.91Å; L201-A206 WeakPolarHBondContact O-CB 3.45Å; L201-A206 PolarHBondContact O-N 3.36Å
202L98.1Very high97.7Very high25 Ų2548.8 Ų48.813%0.13126%0.259CS..Hα-helixtrans-63.6-36.6177.1-68.9169.5000112.4L186 M198 R199 M200 Y204 G205 Y232 L233L186-L202 HydrophobicContact CD1-CD2 4.13Å; L186-L202 HydrophobicContact CD2-CD2 4.22Å; L186-L202 HydrophobicContact CD2-CG 4.15Å; M198-L202 HydrophobicContact CG-CD1 4.22Å; M198-L202 WeakPolarHBondContact O-CG 3.38Å; M198-L202 PolarHBondContact O-N 2.98Å; R199-L202 PolarHBondContact O-N 3.28Å; M200-L202 VanDerWaalsContact C-N 3.3Å; M200-L202 PolarHBondContact O-N 2.89Å; L202-Y204 VanDerWaalsContact C-N 3.27Å; L202-Y204 PolarHBondContact O-N 3.28Å; L202-G205 PolarHBondContact O-N 3.43Å; L202-G205 VanDerWaalsContact O-N 3.12Å; L202-Y232 HydrophobicContact CD1-CE1 3.79Å; L202-L233 HydrophobicContact CD1-CD2 4.43Å
203Q97.3Very high97.5Very high156 Ų15651.9 Ų51.973%0.72927%0.266SS*.Hα-helixtrans-64.6-32.5172.9-70.6167.7-0.700112.3R199 M200 L201 G205R199-Q203 VanDerWaalsContact O-CG 3.3Å; R199-Q203 WeakPolarHBondContact O-CG 3.36Å; R199-Q203 PolarHBondContact O-N 3.23Å; R199-Q203 VanDerWaalsContact O-N 3.08Å; M200-Q203 WeakPolarHBondContact O-CB 3.09Å; M200-Q203 PolarHBondContact O-N 3Å; M200-Q203 VanDerWaalsContact O-N 3.07Å; L201-Q203 VanDerWaalsContact C-N 3.33Å; L201-Q203 PolarHBondContact O-N 3.3Å; Q203-G205 PolarHBondContact O-N 2.95Å
204Y97.9Very high97.4Very high107 Ų10752.6 Ų52.642%0.4227%0.273SS..THydrogen-bonded Turntrans-82.511.2174.2-82.6-101.1000113.4L169 M200 L201 L202L169-Y204 HydrophobicContact CB-CD1 4Å; L169-Y204 HydrophobicContact CB-CE1 3.79Å; L169-Y204 HydrophobicContact CB-CE2 4.34Å; L169-Y204 HydrophobicContact CB-CG 4.36Å; L169-Y204 HydrophobicContact CD1-CD2 4.09Å; L169-Y204 HydrophobicContact CD1-CE2 4.34Å; L169-Y204 HydrophobicContact CD1-CG 4.27Å; L169-Y204 HydrophobicContact CD2-CD1 4.26Å; L169-Y204 HydrophobicContact CD2-CG 4.24Å; M200-Y204 HydrophobicContact CG-CD2 4.17Å; M200-Y204 HydrophobicContact CG-CE2 4.1Å; M200-Y204 WeakPolarHBondContact O-CD2 3.37Å; M200-Y204 PolarHBondContact O-N 2.89Å; L201-Y204 CarbonylContact O-C 3.53Å; L201-Y204 WeakPolarHBondContact O-CA 3.46Å; L201-Y204 PolarHBondContact O-N 3.32Å; L201-Y204 VanDerWaalsContact O-N 3.09Å; L202-Y204 VanDerWaalsContact C-N 3.27Å; L202-Y204 PolarHBondContact O-N 3.28Å
205G97.1Very high97.3Very high44 Ų4452 Ų5245%0.45427%0.268SS..THydrogen-bonded Turntrans81.723.6174.400000114.6N176 L201 L202 Q203N176-G205 PolarHBondContact ND2-O 2.98Å; L201-G205 PolarHBondContact O-N 3.44Å; L202-G205 PolarHBondContact O-N 3.43Å; L202-G205 VanDerWaalsContact O-N 3.12Å; Q203-G205 PolarHBondContact O-N 2.95Å
206A98.1Very high97.3Very high2 Ų251.1 Ų51.12%0.01726%0.264CS..  trans-61139.4170.600000111.5V175 N176 L186 L201V175-A206 HydrophobicContact CG1-CB 4.35Å; V175-A206 HydrophobicContact CG2-CB 3.68Å; N176-A206 WeakPolarHBondContact OD1-CA 3.41Å; L186-A206 HydrophobicContact CD1-CB 3.62Å; L186-A206 HydrophobicContact CD2-CB 4.17Å; L186-A206 HydrophobicContact CG-CB 3.84Å; L201-A206 HydrophobicContact CB-CB 3.91Å; L201-A206 WeakPolarHBondContact O-CB 3.45Å; L201-A206 PolarHBondContact O-N 3.36Å
207T97.4Very high97.3Very high53 Ų5346.2 Ų46.233%0.32524%0.241SC..  trans-106.2133.8179.454.10000110.7N176 L186 E209N176-T207 PolarHBondContact OD1-N 3.47Å; N176-T207 PolarHBondContact OD1-OG1 3.19Å; L186-T207 WeakPolarHBondContact CD1-O 3.34Å; T207-E209 PolarHBondContact O-N 3.44Å; T207-E209 VanDerWaalsContact O-N 3.12Å
208M96.3Very high97.3Very high36 Ų3646.1 Ų46.118%0.17724%0.241CC..  trans-79.393.3175.5-75.4-168-74.100110.2L186 P217 L233 Q238 T239L186-M208 HydrophobicContact CD1-CG 3.9Å; M208-P217 HydrophobicContact CG-CG 4.2Å; M208-L233 HydrophobicContact CE-CD2 4.28Å; M208-L233 HydrophobicContact SD-CD1 4.07Å; M208-L233 HydrophobicContact SD-CD2 3.71Å; M208-L233 HydrophobicContact SD-CG 4.45Å; M208-Q238 HydrophobicContact CE-CB 3.26Å; M208-Q238 HydrophobicContact CE-CG 4.32Å; M208-T239 HydrophobicContact CE-CG2 3.64Å; M208-T239 HydrophobicContact SD-CG2 4.14Å
209E95.3Very high97.3Very high79 Ų7946.5 Ų46.537%0.36924%0.243SC..  trans-104.7168.3178.7-58.7-160.4160.700112.3K178 H187 T207 P217K178-E209 WeakPolarHBondContact CE-OE2 3.22Å; K178-E209 IonicContact NZ-OE2 3.57Å; K178-E209 PolarHBondContact NZ-OE2 3.11Å; H187-E209 PolarHBondContact CE1-O 3.29Å; H187-E209 PolarHBondContact NE2-O 3.18Å; T207-E209 PolarHBondContact O-N 3.44Å; T207-E209 VanDerWaalsContact O-N 3.12Å; E209-P217 WeakPolarHBondContact O-CD 3.33Å
210R96.9Very high97.3Very high125 Ų12542 Ų4247%0.47223%0.227SC..  trans-87.8137.2173.9-69.3179.8-178.5-104.2-1.8111.1G214 M215 T216 E243R210-G214 WeakPolarHBondContact CD-O 3.46Å; R210-G214 PolarHBondContact NH1-O 3.16Å; R210-M215 CarbonylContact C-O 3.51Å; R210-M215 VanDerWaalsContact CA-O 3.22Å; R210-M215 WeakPolarHBondContact CA-O 3.44Å; R210-T216 HydrophobicContact CG-CG2 3.68Å; R210-E243 IonicContact CZ-OE1 3.56Å; R210-E243 IonicContact NH2-OE1 3.59Å; R210-E243 PolarHBondContact NH2-OE1 3Å
211D97Very high97.3Very high17 Ų1741.2 Ų41.29%0.09122%0.223CC..  trans-76.4-174.517079.5-3.6000112Y213 G214 M215D211-Y213 PolarHBondContact O-N 3.22Å; D211-Y213 WeakPolarHBondContact OD1-CA 3.15Å; D211-Y213 WeakPolarHBondContact OD1-CB 3.25Å; D211-Y213 PolarHBondContact OD1-N 3.46Å; D211-G214 PolarHBondContact O-N 2.94Å; D211-G214 PolarHBondContact OD1-N 3.34Å; D211-G214 VanDerWaalsContact OD1-N 3.09Å; D211-M215 PolarHBondContact N-O 3.48Å; D211-M215 WeakPolarHBondContact OD1-CB 3.43Å; D211-M215 PolarHBondContact OD1-N 3.08Å
212G94.6Very high97.3Very high61 Ų6141.2 Ų41.263%0.62922%0.223SC*.THydrogen-bonded Turntrans-68.1-13.3179.800000114.8K181K181-G212 WeakPolarHBondContact O-CA 3.25Å; K181-G212 PolarHBondContact O-N 3.29Å
213Y93.7Very high97.3Very high101 Ų10140.7 Ų40.740%0.39622%0.22SC..THydrogen-bonded Turntrans-95.72.5170.4-60.8-67.8000112.2K181 D211 M215K181-Y213 HydrophobicContact CD-CE2 4.39Å; K181-Y213 PolarHBondContact NZ-OH 2.92Å; K181-Y213 VanDerWaalsContact NZ-OH 3.17Å; D211-Y213 PolarHBondContact O-N 3.22Å; D211-Y213 WeakPolarHBondContact OD1-CA 3.15Å; D211-Y213 WeakPolarHBondContact OD1-CB 3.25Å; D211-Y213 PolarHBondContact OD1-N 3.46Å; Y213-M215 VanDerWaalsContact C-N 3.3Å
214G95.8Very high97.3Very high27 Ų2734.7 Ų34.728%0.27819%0.194SC..SBendtrans79.312-175.600000113.6R210 D211R210-G214 WeakPolarHBondContact CD-O 3.46Å; R210-G214 PolarHBondContact NH1-O 3.16Å; D211-G214 PolarHBondContact O-N 2.94Å; D211-G214 PolarHBondContact OD1-N 3.34Å; D211-G214 VanDerWaalsContact OD1-N 3.09Å
215M97.8Very high97.3Very high7 Ų729.8 Ų29.83%0.03418%0.176CC..  trans-83.2132.9-177.3-60.1-62-73.800110.6H187 R210 D211 Y213 L219 V223 L330H187-M215 PolarHBondContact NE2-O 3.09Å; R210-M215 CarbonylContact C-O 3.51Å; R210-M215 VanDerWaalsContact CA-O 3.22Å; R210-M215 WeakPolarHBondContact CA-O 3.44Å; D211-M215 PolarHBondContact N-O 3.48Å; D211-M215 WeakPolarHBondContact OD1-CB 3.43Å; D211-M215 PolarHBondContact OD1-N 3.08Å; Y213-M215 VanDerWaalsContact C-N 3.3Å; M215-L219 HydrophobicContact CE-CB 3.57Å; M215-L219 HydrophobicContact SD-CB 4.24Å; M215-V223 HydrophobicContact CE-CB 4.45Å; M215-V223 HydrophobicContact CE-CG2 3.44Å; M215-V223 VanDerWaalsContact CE-CG2 3.44Å; M215-L330 HydrophobicContact CE-CD2 3.61Å; M215-L330 HydrophobicContact SD-CD2 3.52Å; M215-L330 VanDerWaalsContact SD-CD2 3.52Å
216T98.1Very high97.4Very high10 Ų1030.3 Ų30.36%0.06117%0.167CC..  trans-86.6166.1164.962.50000109.9R210 L218 L219 S220R210-T216 HydrophobicContact CG-CG2 3.68Å; T216-L218 PolarHBondContact O-N 3.25Å; T216-L219 PolarHBondContact O-N 3.49Å; T216-L219 VanDerWaalsContact O-N 3.16Å; T216-L219 PolarHBondContact OG1-N 2.72Å; T216-S220 WeakPolarHBondContact O-CB 3.31Å; T216-S220 PolarHBondContact O-N 3.08Å; T216-S220 PolarHBondContact O-OG 3.1Å
217P98.5Very high97.4Very high1 Ų132.1 Ų32.11%0.00618%0.178CC..Hα-helixtrans-55.4-35.9170.1-28.937000112.7L186 A190 M208 E209 S220 A221 L233L186-P217 HydrophobicContact CB-CB 4.06Å; L186-P217 HydrophobicContact CB-CG 3.62Å; L186-P217 HydrophobicContact CD1-CG 4.47Å; A190-P217 HydrophobicContact CB-CB 4.14Å; A190-P217 WeakPolarHBondContact CB-O 3.43Å; M208-P217 HydrophobicContact CG-CG 4.2Å; E209-P217 WeakPolarHBondContact O-CD 3.33Å; P217-S220 PolarHBondContact O-N 3.44Å; P217-A221 PolarHBondContact O-N 3.47Å; P217-L233 HydrophobicContact CB-CD1 4.41Å
218L98.7Very high97.4Very high1 Ų132.7 Ų32.71%0.00518%0.179CC..Hα-helixtrans-62.7-49.5175.6171.761.6000111.8T216 S220 A221 S222 V230 L233 T234 T239 A247T216-L218 PolarHBondContact O-N 3.25Å; L218-S220 VanDerWaalsContact C-N 3.32Å; L218-S220 PolarHBondContact O-N 2.75Å; L218-A221 PolarHBondContact O-N 2.85Å; L218-S222 PolarHBondContact O-N 3.15Å; L218-S222 VanDerWaalsContact O-N 3.17Å; L218-S222 PolarHBondContact O-OG 3.18Å; L218-V230 HydrophobicContact CD1-CB 4.42Å; L218-V230 HydrophobicContact CD1-CG1 4.17Å; L218-V230 HydrophobicContact CD1-CG2 4.42Å; L218-L233 HydrophobicContact CB-CB 4.29Å; L218-L233 HydrophobicContact CB-CD1 3.96Å; L218-L233 HydrophobicContact CD1-CB 3.78Å; L218-L233 HydrophobicContact CG-CB 4.48Å; L218-T234 HydrophobicContact CD1-CG2 4.1Å; L218-T239 HydrophobicContact CD2-CG2 3.97Å; L218-A247 HydrophobicContact CD1-CB 3.67Å; L218-A247 HydrophobicContact CD2-CB 3.65Å; L218-A247 HydrophobicContact CG-CB 3.46Å; L218-A247 VanDerWaalsContact CG-CB 3.46Å
219L98.5Very high97.5Very high8 Ų831 Ų314%0.04217%0.17CC..Hα-helixtrans-66.1-36.4178.3-70.3174.4000111.8M215 T216 A221 S222 V223 A247 L250 I329M215-L219 HydrophobicContact CE-CB 3.57Å; M215-L219 HydrophobicContact SD-CB 4.24Å; T216-L219 PolarHBondContact O-N 3.49Å; T216-L219 VanDerWaalsContact O-N 3.16Å; T216-L219 PolarHBondContact OG1-N 2.72Å; L219-A221 VanDerWaalsContact C-N 3.32Å; L219-A221 PolarHBondContact O-N 3.19Å; L219-S222 WeakPolarHBondContact O-CB 3.43Å; L219-S222 PolarHBondContact O-N 3.27Å; L219-S222 VanDerWaalsContact O-N 3.1Å; L219-V223 WeakPolarHBondContact O-CG2 3.43Å; L219-V223 PolarHBondContact O-N 3.44Å; L219-A247 HydrophobicContact CD2-CB 4.27Å; L219-L250 HydrophobicContact CD2-CD2 4Å; L219-I329 HydrophobicContact CD2-CG2 3.98Å
220S98.5Very high97.7Very high6 Ų627.2 Ų27.24%0.04215%0.153CC..Hα-helixtrans-60.1-42.3176-55.90000111.5H187 T216 P217 L218 S222 V223 T224H187-S220 PolarHBondContact CD2-OG 3.16Å; T216-S220 WeakPolarHBondContact O-CB 3.31Å; T216-S220 PolarHBondContact O-N 3.08Å; T216-S220 PolarHBondContact O-OG 3.1Å; P217-S220 PolarHBondContact O-N 3.44Å; L218-S220 VanDerWaalsContact C-N 3.32Å; L218-S220 PolarHBondContact O-N 2.75Å; S220-S222 VanDerWaalsContact C-N 3.34Å; S220-S222 PolarHBondContact O-N 3.47Å; S220-V223 PolarHBondContact O-N 3.25Å; S220-T224 WeakPolarHBondContact O-CG2 3.39Å; S220-T224 PolarHBondContact O-N 2.82Å; S220-T224 PolarHBondContact O-OG1 3.29Å
221A98.6Very high97.8Very high0 Ų024.1 Ų24.10%015%0.146CC..Hα-helixtrans-64.6-36173.800000113A190 P217 L218 L219 T224 G225 H226 I229 V230A190-A221 HydrophobicContact CB-CB 4.07Å; P217-A221 PolarHBondContact O-N 3.47Å; L218-A221 PolarHBondContact O-N 2.85Å; L219-A221 VanDerWaalsContact C-N 3.32Å; L219-A221 PolarHBondContact O-N 3.19Å; A221-T224 WeakPolarHBondContact CA-OG1 3.3Å; A221-T224 PolarHBondContact O-OG1 3.45Å; A221-G225 WeakPolarHBondContact O-CA 3.26Å; A221-G225 PolarHBondContact O-N 3.22Å; A221-H226 PolarHBondContact O-N 2.74Å; A221-I229 HydrophobicContact CB-CB 3.66Å; A221-I229 HydrophobicContact CB-CG2 3.42Å; A221-I229 VanDerWaalsContact CB-CG2 3.42Å; A221-V230 HydrophobicContact CB-CG2 3.8Å
222S98.7Very high97.8Very high0 Ų025.6 Ų25.60%015%0.15CC..Hα-helixtrans-66.7-39.8175-67.70000112.7L218 L219 S220 V230 A247 T254L218-S222 PolarHBondContact O-N 3.15Å; L218-S222 VanDerWaalsContact O-N 3.17Å; L218-S222 PolarHBondContact O-OG 3.18Å; L219-S222 WeakPolarHBondContact O-CB 3.43Å; L219-S222 PolarHBondContact O-N 3.27Å; L219-S222 VanDerWaalsContact O-N 3.1Å; S220-S222 VanDerWaalsContact C-N 3.34Å; S220-S222 PolarHBondContact O-N 3.47Å; S222-V230 WeakPolarHBondContact OG-CG2 3.21Å; S222-A247 VanDerWaalsContact CB-O 3.32Å; S222-A247 WeakPolarHBondContact CB-O 3.23Å; S222-A247 PolarHBondContact OG-O 3.37Å; S222-T254 VanDerWaalsContact O-CB 3.28Å; S222-T254 WeakPolarHBondContact O-CB 3.33Å; S222-T254 PolarHBondContact O-OG1 3.49Å
223V98.3Very high98Very high13 Ų1322.7 Ų22.78%0.07912%0.12CC..Hα-helixtrans-64.7-45.2174.8171.30000111.4M215 L219 S220 G225 L250 T254 L330 D336M215-V223 HydrophobicContact CE-CB 4.45Å; M215-V223 HydrophobicContact CE-CG2 3.44Å; M215-V223 VanDerWaalsContact CE-CG2 3.44Å; L219-V223 WeakPolarHBondContact O-CG2 3.43Å; L219-V223 PolarHBondContact O-N 3.44Å; S220-V223 PolarHBondContact O-N 3.25Å; V223-G225 VanDerWaalsContact C-N 3.33Å; V223-L250 HydrophobicContact CG2-CD2 3.79Å; V223-L250 HydrophobicContact CG2-CG 4.42Å; V223-T254 WeakPolarHBondContact O-CG2 3.34Å; V223-L330 HydrophobicContact CG2-CD1 4.08Å; V223-L330 HydrophobicContact CG2-CD2 3.99Å; V223-D336 WeakPolarHBondContact CG1-OD2 3.28Å
224T97.4Very high98.2Very high30 Ų3018.3 Ų18.318%0.18410%0.104CC..Hα-helixtrans-77.1-22-178.555.50000113A190 E191 S220 A221 H226 K258A190-T224 PolarHBondContact O-OG1 3.22Å; E191-T224 HydrophobicContact CB-CG2 4.17Å; E191-T224 HydrophobicContact CG-CG2 4.06Å; S220-T224 WeakPolarHBondContact O-CG2 3.39Å; S220-T224 PolarHBondContact O-N 2.82Å; S220-T224 PolarHBondContact O-OG1 3.29Å; A221-T224 WeakPolarHBondContact CA-OG1 3.3Å; A221-T224 PolarHBondContact O-OG1 3.45Å; T224-H226 PolarHBondContact OG1-CD2 2.92Å; T224-K258 PolarHBondContact O-NZ 3.4Å
225G97.9Very high98.1Very high4 Ų421.8 Ų21.84%0.04112%0.12CC..THydrogen-bonded Turntrans91.221.3175.100000114.2A221 V223 T227 K259A221-G225 WeakPolarHBondContact O-CA 3.26Å; A221-G225 PolarHBondContact O-N 3.22Å; V223-G225 VanDerWaalsContact C-N 3.33Å; G225-T227 PolarHBondContact O-N 3.26Å; G225-K259 VanDerWaalsContact O-CE 3.32Å; G225-K259 WeakPolarHBondContact O-CE 3.37Å; G225-K259 PolarHBondContact O-NZ 3.05Å
226H98.6Very high98Very high56 Ų5623 Ų2326%0.25913%0.125SC..  trans-84.888.7-177.6-68.4-52.4000111.3A190 E191 G193 A221 T224 N228 I229 V230A190-H226 PolarHBondContact O-CD2 3.38Å; E191-H226 PolarHBondContact O-CD2 3.49Å; E191-H226 VanDerWaalsContact O-CD2 3.26Å; E191-H226 PolarHBondContact O-NE2 2.69Å; G193-H226 PolarHBondContact N-CD2 2.78Å; A221-H226 PolarHBondContact O-N 2.74Å; T224-H226 PolarHBondContact OG1-CD2 2.92Å; H226-N228 VanDerWaalsContact C-N 3.31Å; H226-N228 PolarHBondContact O-N 3.41Å; H226-I229 HydrophobicContact CB-CB 4.49Å; H226-I229 HydrophobicContact CB-CG1 4.18Å; H226-I229 PolarHBondContact O-N 3.42Å; H226-V230 PolarHBondContact O-N 3.43Å
227T98.5Very high97.8Very high40 Ų4030.7 Ų30.725%0.24516%0.161CC..Hα-helixtrans-62.8-34.9-172.157.30000113.2G225 I229 V230 D231 L251 F255 Y268G225-T227 PolarHBondContact O-N 3.26Å; T227-I229 VanDerWaalsContact C-N 3.29Å; T227-I229 PolarHBondContact O-N 3.5Å; T227-V230 PolarHBondContact O-N 3.37Å; T227-D231 VanDerWaalsContact O-CB 3.32Å; T227-D231 WeakPolarHBondContact O-CB 3.19Å; T227-D231 VanDerWaalsContact O-CG 3.3Å; T227-D231 PolarHBondContact O-N 2.92Å; T227-L251 HydrophobicContact CG2-CD1 4.39Å; T227-L251 HydrophobicContact CG2-CD2 4.24Å; T227-F255 HydrophobicContact CG2-CE2 3.57Å; T227-F255 HydrophobicContact CG2-CZ 3.57Å; T227-Y268 HydrophobicContact CG2-CE2 4.35Å; T227-Y268 VanDerWaalsContact CG2-OH 3.24Å; T227-Y268 WeakPolarHBondContact CG2-OH 3.47Å
228N98.6Very high97.5Very high64 Ų6435.1 Ų35.134%0.34218%0.181SC..Hα-helixtrans-59.6-38.4177.661.3-23.5000112.4G193 L195 H226 Y232G193-N228 PolarHBondContact O-ND2 3.23Å; L195-N228 HydrophobicContact CD2-CB 4.28Å; H226-N228 VanDerWaalsContact C-N 3.31Å; H226-N228 PolarHBondContact O-N 3.41Å; N228-Y232 WeakPolarHBondContact O-CB 3.22Å; N228-Y232 PolarHBondContact O-N 3.1Å
229I98.8Very high97.4Very high0 Ų035.5 Ų35.50%018%0.184CC..Hα-helixtrans-72-47175.5-58.3-62.7000110.5A190 L195 M198 A221 H226 T227 D231 Y232 L233A190-I229 HydrophobicContact CB-CG2 4.33Å; L195-I229 VanDerWaalsContact CA-CD1 3.48Å; L195-I229 HydrophobicContact CB-CD1 3.79Å; L195-I229 HydrophobicContact CD1-CD1 3.98Å; L195-I229 HydrophobicContact CG-CD1 4.5Å; M198-I229 HydrophobicContact CB-CD1 4.48Å; M198-I229 HydrophobicContact CE-CD1 4Å; M198-I229 HydrophobicContact CE-CG2 3.59Å; M198-I229 HydrophobicContact SD-CD1 3.92Å; M198-I229 HydrophobicContact SD-CG2 3.72Å; A221-I229 HydrophobicContact CB-CB 3.66Å; A221-I229 HydrophobicContact CB-CG2 3.42Å; A221-I229 VanDerWaalsContact CB-CG2 3.42Å; H226-I229 HydrophobicContact CB-CB 4.49Å; H226-I229 HydrophobicContact CB-CG1 4.18Å; H226-I229 PolarHBondContact O-N 3.42Å; T227-I229 VanDerWaalsContact C-N 3.29Å; T227-I229 PolarHBondContact O-N 3.5Å; I229-D231 PolarHBondContact O-N 2.96Å; I229-Y232 PolarHBondContact O-N 3.39Å; I229-L233 HydrophobicContact CG2-CD1 3.7Å; I229-L233 HydrophobicContact CG2-CG 4.13Å; I229-L233 WeakPolarHBondContact O-CB 3.45Å; I229-L233 WeakPolarHBondContact O-CG 3.47Å; I229-L233 PolarHBondContact O-N 3.23Å
230V98.6Very high97.2Very high0 Ų037.4 Ų37.40%020%0.198CC..Hα-helixtrans-61.3-45.9179.9176.90000111L218 A221 S222 H226 T227 Y232 L233 T234 L248 L251L218-V230 HydrophobicContact CD1-CB 4.42Å; L218-V230 HydrophobicContact CD1-CG1 4.17Å; L218-V230 HydrophobicContact CD1-CG2 4.42Å; A221-V230 HydrophobicContact CB-CG2 3.8Å; S222-V230 WeakPolarHBondContact OG-CG2 3.21Å; H226-V230 PolarHBondContact O-N 3.43Å; T227-V230 PolarHBondContact O-N 3.37Å; V230-Y232 VanDerWaalsContact C-N 3.31Å; V230-Y232 PolarHBondContact O-N 3.24Å; V230-L233 PolarHBondContact O-N 3.09Å; V230-T234 HydrophobicContact CG1-CG2 3.9Å; V230-T234 VanDerWaalsContact O-CB 3.28Å; V230-T234 WeakPolarHBondContact O-CB 3.5Å; V230-T234 WeakPolarHBondContact O-CG2 3.44Å; V230-T234 PolarHBondContact O-N 3.29Å; V230-T234 PolarHBondContact O-OG1 2.98Å; V230-L248 HydrophobicContact CG1-CD2 4.14Å; V230-L251 HydrophobicContact CB-CD2 3.99Å; V230-L251 HydrophobicContact CG1-CD2 3.8Å; V230-L251 HydrophobicContact CG2-CD2 4.12Å
231D98.1Very high96.9Very high60 Ų6039.9 Ų39.932%0.32121%0.209SC..Hα-helixtrans-62.5-38.7178.9-73.6-32.6000111.9T227 I229 T234 R271T227-D231 VanDerWaalsContact O-CB 3.32Å; T227-D231 WeakPolarHBondContact O-CB 3.19Å; T227-D231 VanDerWaalsContact O-CG 3.3Å; T227-D231 PolarHBondContact O-N 2.92Å; I229-D231 PolarHBondContact O-N 2.96Å; D231-T234 PolarHBondContact O-OG1 3.07Å; D231-R271 IonicContact OD1-CZ 3.26Å; D231-R271 IonicContact OD1-NH1 2.78Å; D231-R271 PolarHBondContact OD1-NH1 3.5Å
232Y98.4Very high96.7Very high49 Ų4943.2 Ų43.219%0.19223%0.229CC..Hα-helixtrans-67.4-55.1174.6177.4-108.8000112L195 M198 R199 L202 N228 I229 V230 T234 T235 H236L195-Y232 HydrophobicContact CD1-CD1 3.69Å; L195-Y232 HydrophobicContact CD1-CD2 4.36Å; L195-Y232 HydrophobicContact CD1-CE1 4.46Å; L195-Y232 HydrophobicContact CD1-CG 3.63Å; M198-Y232 HydrophobicContact SD-CD1 4.47Å; R199-Y232 HydrophobicContact CG-CE1 4.15Å; R199-Y232 HydrophobicContact CG-CE2 4.22Å; L202-Y232 HydrophobicContact CD1-CE1 3.79Å; N228-Y232 WeakPolarHBondContact O-CB 3.22Å; N228-Y232 PolarHBondContact O-N 3.1Å; I229-Y232 PolarHBondContact O-N 3.39Å; V230-Y232 VanDerWaalsContact C-N 3.31Å; V230-Y232 PolarHBondContact O-N 3.24Å; Y232-T234 VanDerWaalsContact C-N 3.32Å; Y232-T234 PolarHBondContact O-N 3.32Å; Y232-T235 PolarHBondContact O-N 3.26Å; Y232-T235 VanDerWaalsContact O-N 3.13Å; Y232-T235 PolarHBondContact O-OG1 3.48Å; Y232-H236 PolarHBondContact O-N 3.17Å
233L98Very high96.6Very high0 Ų045 Ų450%024%0.237CC..Hα-helixtrans-69.3-26.8-174-70.6-174.9000113.4M198 L202 M208 P217 L218 I229 V230 T235 H236 T239M198-L233 HydrophobicContact CE-CD1 4.14Å; M198-L233 HydrophobicContact SD-CD1 3.78Å; M198-L233 HydrophobicContact SD-CD2 3.85Å; M198-L233 HydrophobicContact SD-CG 3.85Å; L202-L233 HydrophobicContact CD1-CD2 4.43Å; M208-L233 HydrophobicContact CE-CD2 4.28Å; M208-L233 HydrophobicContact SD-CD1 4.07Å; M208-L233 HydrophobicContact SD-CD2 3.71Å; M208-L233 HydrophobicContact SD-CG 4.45Å; P217-L233 HydrophobicContact CB-CD1 4.41Å; L218-L233 HydrophobicContact CB-CB 4.29Å; L218-L233 HydrophobicContact CB-CD1 3.96Å; L218-L233 HydrophobicContact CD1-CB 3.78Å; L218-L233 HydrophobicContact CG-CB 4.48Å; I229-L233 HydrophobicContact CG2-CD1 3.7Å; I229-L233 HydrophobicContact CG2-CG 4.13Å; I229-L233 WeakPolarHBondContact O-CB 3.45Å; I229-L233 WeakPolarHBondContact O-CG 3.47Å; I229-L233 PolarHBondContact O-N 3.23Å; V230-L233 PolarHBondContact O-N 3.09Å; L233-T235 PolarHBondContact O-N 3.36Å; L233-H236 HydrophobicContact CD2-CB 4.35Å; L233-H236 WeakPolarHBondContact O-CB 3.45Å; L233-H236 PolarHBondContact O-N 3.05Å; L233-H236 VanDerWaalsContact O-N 3.09Å; L233-T239 HydrophobicContact CB-CG2 4.42Å; L233-T239 WeakPolarHBondContact O-CG2 3.3Å; L233-T239 PolarHBondContact O-OG1 3.36Å
234T97Very high96.5Very high8 Ų847.1 Ų47.15%0.04924%0.244CC..THydrogen-bonded Turntrans-67.4-15.9174.450.50000113.6L218 V230 D231 Y232 R244 L248 R271L218-T234 HydrophobicContact CD1-CG2 4.1Å; V230-T234 HydrophobicContact CG1-CG2 3.9Å; V230-T234 VanDerWaalsContact O-CB 3.28Å; V230-T234 WeakPolarHBondContact O-CB 3.5Å; V230-T234 WeakPolarHBondContact O-CG2 3.44Å; V230-T234 PolarHBondContact O-N 3.29Å; V230-T234 PolarHBondContact O-OG1 2.98Å; D231-T234 PolarHBondContact O-OG1 3.07Å; Y232-T234 VanDerWaalsContact C-N 3.32Å; Y232-T234 PolarHBondContact O-N 3.32Å; T234-R244 HydrophobicContact CG2-CB 4.3Å; T234-R244 HydrophobicContact CG2-CG 4.42Å; T234-R244 WeakPolarHBondContact O-CD 3.39Å; T234-R244 PolarHBondContact O-NE 3.25Å; T234-R244 VanDerWaalsContact O-NE 3.11Å; T234-L248 HydrophobicContact CG2-CD2 4.33Å; T234-L248 HydrophobicContact CG2-CG 4.18Å; T234-R271 PolarHBondContact OG1-NH2 3.05Å
235T95.2Very high96.5Very high100 Ų10045.8 Ų45.861%0.61324%0.235SC*.THydrogen-bonded Turntrans-103-5173.666.90000112.8Y232 L233Y232-T235 PolarHBondContact O-N 3.26Å; Y232-T235 VanDerWaalsContact O-N 3.13Å; Y232-T235 PolarHBondContact O-OG1 3.48Å; L233-T235 PolarHBondContact O-N 3.36Å
236H96.1Very high96.5Very high32 Ų3247.7 Ų47.715%0.14825%0.245CC..SBendtrans-80.6140.7-174.3-166.2-96000112Y232 L233 Q238 T239 R244Y232-H236 PolarHBondContact O-N 3.17Å; L233-H236 HydrophobicContact CD2-CB 4.35Å; L233-H236 WeakPolarHBondContact O-CB 3.45Å; L233-H236 PolarHBondContact O-N 3.05Å; L233-H236 VanDerWaalsContact O-N 3.09Å; H236-Q238 VanDerWaalsContact C-N 3.27Å; H236-Q238 PolarHBondContact ND1-N 2.85Å; H236-Q238 PolarHBondContact O-N 2.94Å; H236-T239 PolarHBondContact O-N 2.96Å; H236-T239 PolarHBondContact O-OG1 3.05Å; H236-R244 PolarHBondContact O-NH2 3.23Å
237Q93.7Very high96.5Very high173 Ų17345 Ų4581%0.80823%0.233SC*.THydrogen-bonded Turntrans-63.5-26.9-173.266.1-176.814.800114.9T239Q237-T239 VanDerWaalsContact C-N 3.29Å; Q237-T239 PolarHBondContact O-N 3.34Å
238Q91.9Very high96.5Very high93 Ų9343.1 Ų43.144%0.43522%0.221SC..THydrogen-bonded Turntrans-78.4-9-179.9-74.6179.1-11.300113.4M208 H236M208-Q238 HydrophobicContact CE-CB 3.26Å; M208-Q238 HydrophobicContact CE-CG 4.32Å; H236-Q238 VanDerWaalsContact C-N 3.27Å; H236-Q238 PolarHBondContact ND1-N 2.85Å; H236-Q238 PolarHBondContact O-N 2.94Å
239T95.5Very high96.5Very high10 Ų1040.2 Ų40.26%0.06121%0.205CC..SBendtrans-95130.7177.561.40000110.5M208 L218 L233 H236 Q237 R244M208-T239 HydrophobicContact CE-CG2 3.64Å; M208-T239 HydrophobicContact SD-CG2 4.14Å; L218-T239 HydrophobicContact CD2-CG2 3.97Å; L233-T239 HydrophobicContact CB-CG2 4.42Å; L233-T239 WeakPolarHBondContact O-CG2 3.3Å; L233-T239 PolarHBondContact O-OG1 3.36Å; H236-T239 PolarHBondContact O-N 2.96Å; H236-T239 PolarHBondContact O-OG1 3.05Å; Q237-T239 VanDerWaalsContact C-N 3.29Å; Q237-T239 PolarHBondContact O-N 3.34Å; T239-R244 PolarHBondContact O-NE 3.28Å; T239-R244 PolarHBondContact O-NH2 3.12Å; T239-R244 VanDerWaalsContact O-NH2 3.1Å; T239-R244 PolarHBondContact OG1-NE 3.13Å
240S94.2Very high96.5Very high48 Ų4840.2 Ų40.234%0.33621%0.205SC..  trans-74.2159.9178.367.20000112T242 E243 R244S240-T242 VanDerWaalsContact C-N 3.33Å; S240-T242 PolarHBondContact O-N 2.98Å; S240-T242 PolarHBondContact OG-OG1 2.96Å; S240-E243 WeakPolarHBondContact CB-OE2 3.5Å; S240-E243 PolarHBondContact N-OE2 3.21Å; S240-E243 VanDerWaalsContact N-OE2 3.12Å; S240-E243 PolarHBondContact O-N 2.88Å; S240-E243 WeakPolarHBondContact OG-CB 3.46Å; S240-E243 WeakPolarHBondContact OG-CG 3.4Å; S240-E243 PolarHBondContact OG-N 3.2Å; S240-E243 PolarHBondContact OG-OE2 2.93Å; S240-R244 VanDerWaalsContact O-CG 3.26Å; S240-R244 WeakPolarHBondContact O-CG 3.48Å; S240-R244 PolarHBondContact O-N 3.45Å; S240-R244 VanDerWaalsContact O-N 3.14Å
241H93.8Very high96.5Very high58 Ų5840.2 Ų40.227%0.26921%0.205SC..Hα-helixtrans-58.4-43.1-179.6-171.562000112.8R244 I245 L275H241-R244 PolarHBondContact O-N 3.09Å; H241-I245 WeakPolarHBondContact O-CG1 3.37Å; H241-I245 PolarHBondContact O-N 3.1Å; H241-L275 PolarHBondContact CE1-O 3.25Å; H241-L275 VanDerWaalsContact CE1-O 3.28Å; H241-L275 PolarHBondContact NE2-O 3.46Å
242T94.2Very high96.6Very high69 Ų6937.4 Ų37.442%0.42319%0.19SC..Hα-helixtrans-67-42.1178.950.50000112.1S240 R244 I245 D246 V284S240-T242 VanDerWaalsContact C-N 3.33Å; S240-T242 PolarHBondContact O-N 2.98Å; S240-T242 PolarHBondContact OG-OG1 2.96Å; T242-R244 VanDerWaalsContact C-N 3.27Å; T242-R244 PolarHBondContact O-N 3.03Å; T242-I245 WeakPolarHBondContact O-CB 3.44Å; T242-I245 PolarHBondContact O-N 2.63Å; T242-I245 VanDerWaalsContact O-N 3.15Å; T242-D246 PolarHBondContact O-N 2.91Å; T242-V284 HydrophobicContact CG2-CG1 4.12Å; T242-V284 HydrophobicContact CG2-CG2 4.25Å
243E95.6Very high96.6Very high38 Ų3835 Ų3518%0.17818%0.181CC..Hα-helixtrans-63.5-33177.8-73.8170.5139.500112.6R210 S240 A247R210-E243 IonicContact CZ-OE1 3.56Å; R210-E243 IonicContact NH2-OE1 3.59Å; R210-E243 PolarHBondContact NH2-OE1 3Å; S240-E243 WeakPolarHBondContact CB-OE2 3.5Å; S240-E243 PolarHBondContact N-OE2 3.21Å; S240-E243 VanDerWaalsContact N-OE2 3.12Å; S240-E243 PolarHBondContact O-N 2.88Å; S240-E243 WeakPolarHBondContact OG-CB 3.46Å; S240-E243 WeakPolarHBondContact OG-CG 3.4Å; S240-E243 PolarHBondContact OG-N 3.2Å; S240-E243 PolarHBondContact OG-OE2 2.93Å; E243-A247 WeakPolarHBondContact O-CB 3.35Å; E243-A247 PolarHBondContact O-N 3.36Å
244R97.2Very high96.6Very high58 Ų5835 Ų3522%0.21918%0.181CC..Hα-helixtrans-65.2-42.5174.6-65167-176.5-175.20.4111.6T234 H236 T239 S240 H241 T242 L248T234-R244 HydrophobicContact CG2-CB 4.3Å; T234-R244 HydrophobicContact CG2-CG 4.42Å; T234-R244 WeakPolarHBondContact O-CD 3.39Å; T234-R244 PolarHBondContact O-NE 3.25Å; T234-R244 VanDerWaalsContact O-NE 3.11Å; H236-R244 PolarHBondContact O-NH2 3.23Å; T239-R244 PolarHBondContact O-NE 3.28Å; T239-R244 PolarHBondContact O-NH2 3.12Å; T239-R244 VanDerWaalsContact O-NH2 3.1Å; T239-R244 PolarHBondContact OG1-NE 3.13Å; S240-R244 VanDerWaalsContact O-CG 3.26Å; S240-R244 WeakPolarHBondContact O-CG 3.48Å; S240-R244 PolarHBondContact O-N 3.45Å; S240-R244 VanDerWaalsContact O-N 3.14Å; H241-R244 PolarHBondContact O-N 3.09Å; T242-R244 VanDerWaalsContact C-N 3.27Å; T242-R244 PolarHBondContact O-N 3.03Å; R244-L248 VanDerWaalsContact O-CG 3.29Å; R244-L248 WeakPolarHBondContact O-CG 3.28Å; R244-L248 PolarHBondContact O-N 3.08Å; R244-L248 VanDerWaalsContact O-N 3.12Å
245I97.6Very high96.6Very high1 Ų135.4 Ų35.41%0.00518%0.182CC..Hα-helixtrans-62.4-53.8177.2-67.8163.6000109.5H241 T242 A247 L248 E249 A272 L275 R276 V284H241-I245 WeakPolarHBondContact O-CG1 3.37Å; H241-I245 PolarHBondContact O-N 3.1Å; T242-I245 WeakPolarHBondContact O-CB 3.44Å; T242-I245 PolarHBondContact O-N 2.63Å; T242-I245 VanDerWaalsContact O-N 3.15Å; I245-A247 VanDerWaalsContact C-N 3.3Å; I245-A247 PolarHBondContact O-N 2.78Å; I245-L248 PolarHBondContact O-N 3.38Å; I245-L248 VanDerWaalsContact O-N 3.15Å; I245-E249 WeakPolarHBondContact O-CG 2.94Å; I245-E249 PolarHBondContact O-N 3.46Å; I245-A272 HydrophobicContact CG2-CB 4.4Å; I245-L275 HydrophobicContact CD1-CB 4.26Å; I245-L275 HydrophobicContact CG1-CB 3.72Å; I245-L275 HydrophobicContact CG1-CD1 4.49Å; I245-R276 HydrophobicContact CD1-CG 3.93Å; I245-R276 HydrophobicContact CG1-CG 4.38Å; I245-R276 HydrophobicContact CG2-CG 3.74Å; I245-V284 HydrophobicContact CD1-CB 4.08Å; I245-V284 HydrophobicContact CD1-CG1 4.38Å; I245-V284 HydrophobicContact CD1-CG2 4.1Å
246D97.9Very high96.8Very high45 Ų4530.9 Ų30.924%0.24115%0.154CC..Hα-helixtrans-60.1-41.1-179.6-73.6-27.6000111.3T242 L248 E249 L250 R328 I329T242-D246 PolarHBondContact O-N 2.91Å; D246-L248 VanDerWaalsContact C-N 3.35Å; D246-L248 PolarHBondContact O-N 2.9Å; D246-E249 PolarHBondContact O-N 2.99Å; D246-L250 WeakPolarHBondContact O-CB 3.21Å; D246-L250 PolarHBondContact O-N 3.24Å; D246-R328 IonicContact OD1-NH1 3.46Å; D246-R328 PolarHBondContact OD1-NH1 2.95Å; D246-I329 HydrophobicContact CB-CD1 3.91Å; D246-I329 HydrophobicContact CB-CG1 4.19Å; D246-I329 HydrophobicContact CB-CG2 4.23Å; D246-I329 VanDerWaalsContact O-CD1 3.29Å; D246-I329 WeakPolarHBondContact O-CD1 3.06Å
247A98.6Very high96.7Very high0 Ų029.3 Ų29.30%015%0.147CC..Hα-helixtrans-61.9-40.1177.300000113.1L218 L219 S222 E243 I245 L251L218-A247 HydrophobicContact CD1-CB 3.67Å; L218-A247 HydrophobicContact CD2-CB 3.65Å; L218-A247 HydrophobicContact CG-CB 3.46Å; L218-A247 VanDerWaalsContact CG-CB 3.46Å; L219-A247 HydrophobicContact CD2-CB 4.27Å; S222-A247 VanDerWaalsContact CB-O 3.32Å; S222-A247 WeakPolarHBondContact CB-O 3.23Å; S222-A247 PolarHBondContact OG-O 3.37Å; E243-A247 WeakPolarHBondContact O-CB 3.35Å; E243-A247 PolarHBondContact O-N 3.36Å; I245-A247 VanDerWaalsContact C-N 3.3Å; I245-A247 PolarHBondContact O-N 2.78Å; A247-L251 VanDerWaalsContact O-CB 3.22Å; A247-L251 WeakPolarHBondContact O-CB 3.38Å; A247-L251 PolarHBondContact O-N 3.29Å
248L98.7Very high96.8Very high0 Ų026.3 Ų26.30%013%0.131CC..Hα-helixtrans-71.3-40.1177.8-70.5167000111.7V230 T234 R244 I245 D246 L251 G252 Y268 R271 A272 L275V230-L248 HydrophobicContact CG1-CD2 4.14Å; T234-L248 HydrophobicContact CG2-CD2 4.33Å; T234-L248 HydrophobicContact CG2-CG 4.18Å; R244-L248 VanDerWaalsContact O-CG 3.29Å; R244-L248 WeakPolarHBondContact O-CG 3.28Å; R244-L248 PolarHBondContact O-N 3.08Å; R244-L248 VanDerWaalsContact O-N 3.12Å; I245-L248 PolarHBondContact O-N 3.38Å; I245-L248 VanDerWaalsContact O-N 3.15Å; D246-L248 VanDerWaalsContact C-N 3.35Å; D246-L248 PolarHBondContact O-N 2.9Å; L248-L251 PolarHBondContact O-N 3.07Å; L248-G252 PolarHBondContact O-N 3.23Å; L248-Y268 HydrophobicContact CD2-CD1 3.79Å; L248-Y268 HydrophobicContact CD2-CE1 4.4Å; L248-R271 HydrophobicContact CD1-CG 4.01Å; L248-A272 HydrophobicContact CB-CB 3.82Å; L248-L275 HydrophobicContact CD1-CD1 3.53Å
249E98.5Very high96.9Very high3 Ų326.1 Ų26.11%0.01413%0.129CC..Hα-helixtrans-62.3-47.6175.6-70.5177.5157.600111.4I245 D246 G252 A253 W269 A272 R276 K286 I325 R328 I329I245-E249 WeakPolarHBondContact O-CG 2.94Å; I245-E249 PolarHBondContact O-N 3.46Å; D246-E249 PolarHBondContact O-N 2.99Å; E249-G252 PolarHBondContact O-N 3.28Å; E249-A253 PolarHBondContact O-N 3.38Å; E249-W269 PolarHBondContact O-NE1 2.87Å; E249-A272 HydrophobicContact CG-CB 3.56Å; E249-R276 IonicContact OE1-CZ 2.83Å; E249-R276 VanDerWaalsContact OE1-CZ 3.26Å; E249-R276 IonicContact OE1-NE 3.28Å; E249-R276 PolarHBondContact OE1-NE 3.09Å; E249-R276 IonicContact OE1-NH2 3.73Å; E249-R276 PolarHBondContact OE1-NH2 3.45Å; E249-R276 IonicContact OE2-CZ 2.63Å; E249-R276 IonicContact OE2-NH2 2.75Å; E249-R276 PolarHBondContact OE2-NH2 2.95Å; E249-K286 VanDerWaalsContact OE1-CE 3.22Å; E249-K286 WeakPolarHBondContact OE1-CE 3Å; E249-K286 IonicContact OE1-NZ 3.86Å; E249-I325 HydrophobicContact CB-CG2 3.87Å; E249-R328 IonicContact OE2-CZ 2.94Å; E249-R328 IonicContact OE2-NH1 2.71Å; E249-R328 PolarHBondContact OE2-NH1 3.37Å; E249-R328 IonicContact OE2-NH2 2.68Å; E249-R328 PolarHBondContact OE2-NH2 3.46Å; E249-I329 HydrophobicContact CB-CD1 4.12Å
250L98.7Very high96.8Very high0 Ų034.3 Ų34.30%016%0.159CC..Hα-helixtrans-63.9-39.8176.8-177.461.7000112.1L219 V223 D246 G252 A253 T254 R326 I329 L330L219-L250 HydrophobicContact CD2-CD2 4Å; V223-L250 HydrophobicContact CG2-CD2 3.79Å; V223-L250 HydrophobicContact CG2-CG 4.42Å; D246-L250 WeakPolarHBondContact O-CB 3.21Å; D246-L250 PolarHBondContact O-N 3.24Å; L250-G252 VanDerWaalsContact C-N 3.3Å; L250-G252 PolarHBondContact O-N 3.46Å; L250-A253 WeakPolarHBondContact O-CB 3.47Å; L250-A253 PolarHBondContact O-N 3.33Å; L250-T254 PolarHBondContact O-N 3.27Å; L250-T254 PolarHBondContact O-OG1 3.25Å; L250-R326 HydrophobicContact CD1-CB 4.45Å; L250-R326 HydrophobicContact CD1-CG 4.32Å; L250-I329 HydrophobicContact CB-CD1 3.96Å; L250-I329 HydrophobicContact CD2-CG2 4.03Å; L250-L330 HydrophobicContact CD1-CD1 4.28Å; L250-L330 HydrophobicContact CD1-CD2 4.33Å; L250-L330 HydrophobicContact CD1-CG 4.13Å; L250-L330 HydrophobicContact CD2-CD2 3.7Å; L250-L330 HydrophobicContact CD2-CG 4.39Å
251L98.7Very high96.9Very high0 Ų034.9 Ų34.90%016%0.158CC..Hα-helixtrans-61.3-42.4173.9179.563.4000110.6T227 V230 A247 L248 A253 T254 F255 Y268T227-L251 HydrophobicContact CG2-CD1 4.39Å; T227-L251 HydrophobicContact CG2-CD2 4.24Å; V230-L251 HydrophobicContact CB-CD2 3.99Å; V230-L251 HydrophobicContact CG1-CD2 3.8Å; V230-L251 HydrophobicContact CG2-CD2 4.12Å; A247-L251 VanDerWaalsContact O-CB 3.22Å; A247-L251 WeakPolarHBondContact O-CB 3.38Å; A247-L251 PolarHBondContact O-N 3.29Å; L248-L251 PolarHBondContact O-N 3.07Å; L251-A253 PolarHBondContact O-N 3.39Å; L251-T254 WeakPolarHBondContact O-CB 3.47Å; L251-T254 PolarHBondContact O-N 3.12Å; L251-T254 VanDerWaalsContact O-N 3.15Å; L251-F255 HydrophobicContact CD1-CD2 3.99Å; L251-F255 HydrophobicContact CD1-CE2 3.79Å; L251-F255 HydrophobicContact CG-CD2 4.11Å; L251-F255 HydrophobicContact CG-CE2 4.04Å; L251-F255 VanDerWaalsContact O-CD2 3.32Å; L251-F255 WeakPolarHBondContact O-CD2 3.35Å; L251-F255 PolarHBondContact O-N 3.44Å; L251-Y268 HydrophobicContact CD2-CD1 3.81Å; L251-Y268 HydrophobicContact CD2-CD2 4.03Å; L251-Y268 HydrophobicContact CD2-CE1 3.6Å; L251-Y268 HydrophobicContact CD2-CE2 3.86Å; L251-Y268 HydrophobicContact CD2-CG 4.02Å; L251-Y268 HydrophobicContact CG-CD2 4.14Å; L251-Y268 HydrophobicContact CG-CE2 4.24Å; L251-Y268 HydrophobicContact CG-CG 4.34Å
252G98.4Very high97Very high0 Ų034.4 Ų34.40%016%0.157CC..Hα-helixtrans-59.9-43.6173.700000112.3L248 E249 L250 T254 F255 V256 A265L248-G252 PolarHBondContact O-N 3.23Å; E249-G252 PolarHBondContact O-N 3.28Å; L250-G252 VanDerWaalsContact C-N 3.3Å; L250-G252 PolarHBondContact O-N 3.46Å; G252-T254 VanDerWaalsContact C-N 3.3Å; G252-T254 PolarHBondContact O-N 2.69Å; G252-F255 WeakPolarHBondContact O-CB 2.99Å; G252-F255 PolarHBondContact O-N 3.34Å; G252-F255 VanDerWaalsContact O-N 3.07Å; G252-V256 PolarHBondContact O-N 2.9Å; G252-A265 WeakPolarHBondContact O-CB 3.38Å
253A98.5Very high97.1Very high0 Ų036.6 Ų36.60%017%0.165CC..Hα-helixtrans-60.8-37.6173.200000112.4E249 L250 L251 F255 V256 D257 A322 I325 R326E249-A253 PolarHBondContact O-N 3.38Å; L250-A253 WeakPolarHBondContact O-CB 3.47Å; L250-A253 PolarHBondContact O-N 3.33Å; L251-A253 PolarHBondContact O-N 3.39Å; A253-F255 VanDerWaalsContact C-N 3.33Å; A253-V256 PolarHBondContact O-N 2.92Å; A253-D257 PolarHBondContact O-N 2.92Å; A253-D257 VanDerWaalsContact O-N 3.11Å; A253-A322 HydrophobicContact CB-CB 3.86Å; A253-I325 HydrophobicContact CB-CB 4.37Å; A253-I325 HydrophobicContact CB-CG2 4.13Å; A253-R326 PolarHBondContact O-NH2 3.34Å
254T98.5Very high97.1Very high0 Ų035.2 Ų35.20%016%0.162CC..Hα-helixtrans-66-35.5173.7-62.40000111.9S222 V223 L250 L251 G252 K258 K259 R326S222-T254 VanDerWaalsContact O-CB 3.28Å; S222-T254 WeakPolarHBondContact O-CB 3.33Å; S222-T254 PolarHBondContact O-OG1 3.49Å; V223-T254 WeakPolarHBondContact O-CG2 3.34Å; L250-T254 PolarHBondContact O-N 3.27Å; L250-T254 PolarHBondContact O-OG1 3.25Å; L251-T254 WeakPolarHBondContact O-CB 3.47Å; L251-T254 PolarHBondContact O-N 3.12Å; L251-T254 VanDerWaalsContact O-N 3.15Å; G252-T254 VanDerWaalsContact C-N 3.3Å; G252-T254 PolarHBondContact O-N 2.69Å; T254-K258 HydrophobicContact CG2-CB 4.01Å; T254-K258 HydrophobicContact CG2-CD 4.09Å; T254-K258 WeakPolarHBondContact O-CA 3.33Å; T254-K258 VanDerWaalsContact O-CB 3.24Å; T254-K258 WeakPolarHBondContact O-CB 3.49Å; T254-K258 PolarHBondContact O-N 3.3Å; T254-K259 PolarHBondContact O-N 3.24Å; T254-R326 VanDerWaalsContact N-NH2 3.2Å; T254-R326 PolarHBondContact OG1-NH2 3.35Å
255F98.2Very high97.1Very high16 Ų1632.5 Ų32.57%0.0715%0.151CC..Iπ-helixtrans-64-39.5173.9-94.2-113.7000112.2T227 L251 G252 A253 K259 R260 D261 A265 Y268T227-F255 HydrophobicContact CG2-CE2 3.57Å; T227-F255 HydrophobicContact CG2-CZ 3.57Å; L251-F255 HydrophobicContact CD1-CD2 3.99Å; L251-F255 HydrophobicContact CD1-CE2 3.79Å; L251-F255 HydrophobicContact CG-CD2 4.11Å; L251-F255 HydrophobicContact CG-CE2 4.04Å; L251-F255 VanDerWaalsContact O-CD2 3.32Å; L251-F255 WeakPolarHBondContact O-CD2 3.35Å; L251-F255 PolarHBondContact O-N 3.44Å; G252-F255 WeakPolarHBondContact O-CB 2.99Å; G252-F255 PolarHBondContact O-N 3.34Å; G252-F255 VanDerWaalsContact O-N 3.07Å; A253-F255 VanDerWaalsContact C-N 3.33Å; F255-K259 HydrophobicContact CD1-CD 4.04Å; F255-K259 HydrophobicContact CD2-CD 3.89Å; F255-K259 HydrophobicContact CE1-CD 3.87Å; F255-K259 HydrophobicContact CE2-CD 3.73Å; F255-K259 HydrophobicContact CG-CD 4.05Å; F255-K259 HydrophobicContact CZ-CD 3.72Å; F255-K259 CarbonylContact O-C 3.55Å; F255-K259 PolarHBondContact O-N 2.98Å; F255-R260 PolarHBondContact O-N 3.44Å; F255-D261 HydrophobicContact CD1-CB 3.93Å; F255-D261 WeakPolarHBondContact CD1-OD2 3.3Å; F255-D261 PolarHBondContact O-N 3.48Å; F255-A265 HydrophobicContact CB-CB 3.83Å; F255-Y268 HydrophobicContact CD2-CD2 4.29Å; F255-Y268 HydrophobicContact CD2-CE2 4.16Å; F255-Y268 HydrophobicContact CE1-CE2 4.06Å; F255-Y268 HydrophobicContact CE2-CD2 4.22Å; F255-Y268 AromaticContact CE2-CE2 3.64Å; F255-Y268 HydrophobicContact CE2-CE2 3.64Å; F255-Y268 HydrophobicContact CZ-CD2 4.43Å; F255-Y268 AromaticContact CZ-CE2 3.59Å; F255-Y268 HydrophobicContact CZ-CE2 3.59Å
256V97.4Very high97.1Very high4 Ų433 Ų332%0.02415%0.154CC..Iπ-helixtrans-63.1-53174.9176.20000111.7G252 A253 L262 A265 W269 R319 A322G252-V256 PolarHBondContact O-N 2.9Å; A253-V256 PolarHBondContact O-N 2.92Å; V256-L262 HydrophobicContact CB-CD2 4.34Å; V256-L262 HydrophobicContact CG1-CD2 3.94Å; V256-L262 HydrophobicContact CG2-CD2 4.02Å; V256-A265 HydrophobicContact CG2-CB 3.46Å; V256-A265 VanDerWaalsContact CG2-CB 3.46Å; V256-W269 HydrophobicContact CG2-CH2 3.74Å; V256-W269 HydrophobicContact CG2-CZ2 3.97Å; V256-R319 HydrophobicContact CG1-CG 4.13Å; V256-A322 HydrophobicContact CB-CB 3.84Å; V256-A322 HydrophobicContact CG1-CB 3.88Å; V256-A322 HydrophobicContact CG2-CB 4.19Å
257D95.1Very high97.1Very high0 Ų037.8 Ų37.80%017%0.173CC..Iπ-helixtrans-85.9-44.7-168.4-63.5-49.7000113.6A253 R326 Y340 Y343 R344A253-D257 PolarHBondContact O-N 2.92Å; A253-D257 VanDerWaalsContact O-N 3.11Å; D257-R326 IonicContact OD2-CZ 3.96Å; D257-R326 IonicContact OD2-NH1 2.69Å; D257-R326 PolarHBondContact OD2-NH1 3.02Å; D257-R326 IonicContact OD2-NH2 3.78Å; D257-Y340 HydrophobicContact CB-CD1 3.41Å; D257-Y340 VanDerWaalsContact CB-CD1 3.41Å; D257-Y340 HydrophobicContact CB-CE1 3.61Å; D257-Y340 HydrophobicContact CB-CG 4.2Å; D257-Y343 VanDerWaalsContact O-CE1 3.25Å; D257-Y343 WeakPolarHBondContact O-CE1 3.41Å; D257-Y343 PolarHBondContact O-OH 2.75Å; D257-R344 IonicContact OD1-CZ 2.93Å; D257-R344 IonicContact OD1-NE 3.8Å; D257-R344 IonicContact OD1-NH2 3.83Å; D257-R344 PolarHBondContact OD1-NH2 3.25Å
258K94.8Very high97Very high110 Ų11038.7 Ų38.748%0.47818%0.176SC..Iπ-helixtrans-90.7-46.8-173.4-167.3-179.8-177.3179.20112.2T224 T254 Y340T224-K258 PolarHBondContact O-NZ 3.4Å; T254-K258 HydrophobicContact CG2-CB 4.01Å; T254-K258 HydrophobicContact CG2-CD 4.09Å; T254-K258 WeakPolarHBondContact O-CA 3.33Å; T254-K258 VanDerWaalsContact O-CB 3.24Å; T254-K258 WeakPolarHBondContact O-CB 3.49Å; T254-K258 PolarHBondContact O-N 3.3Å; K258-Y340 HydrophobicContact CB-CE1 4.41Å
259K94.3Very high97Very high89 Ų8939.1 Ų39.139%0.38718%0.178SC..Iπ-helixtrans-88.1-14.9-177.9-56.9-166.2-179.5-176.40113.8G225 T254 F255 D261G225-K259 VanDerWaalsContact O-CE 3.32Å; G225-K259 WeakPolarHBondContact O-CE 3.37Å; G225-K259 PolarHBondContact O-NZ 3.05Å; T254-K259 PolarHBondContact O-N 3.24Å; F255-K259 HydrophobicContact CD1-CD 4.04Å; F255-K259 HydrophobicContact CD2-CD 3.89Å; F255-K259 HydrophobicContact CE1-CD 3.87Å; F255-K259 HydrophobicContact CE2-CD 3.73Å; F255-K259 HydrophobicContact CG-CD 4.05Å; F255-K259 HydrophobicContact CZ-CD 3.72Å; F255-K259 CarbonylContact O-C 3.55Å; F255-K259 PolarHBondContact O-N 2.98Å; K259-D261 HydrophobicContact CB-CB 4.31Å; K259-D261 PolarHBondContact O-N 3.16Å
260R94.6Very high96.9Very high182 Ų18242.7 Ų42.769%0.68719%0.193SC*.  trans54.133.7-174.6-55179.9177.4-167.9-4.8112.4F255 Y343F255-R260 PolarHBondContact O-N 3.44Å; R260-Y343 PolarHBondContact NE-OH 3.05Å; R260-Y343 VanDerWaalsContact NE-OH 3.16Å; R260-Y343 PolarHBondContact NH2-OH 3.44Å
261D96.4Very high96.8Very high60 Ų6046.7 Ų46.732%0.32121%0.208SC..  trans-114.793.4-178.8176.113.1000110F255 K259 L263 G264 A265F255-D261 HydrophobicContact CD1-CB 3.93Å; F255-D261 WeakPolarHBondContact CD1-OD2 3.3Å; F255-D261 PolarHBondContact O-N 3.48Å; K259-D261 HydrophobicContact CB-CB 4.31Å; K259-D261 PolarHBondContact O-N 3.16Å; D261-L263 PolarHBondContact OD1-N 3.15Å; D261-G264 PolarHBondContact OD1-N 3.06Å; D261-G264 WeakPolarHBondContact OD2-CA 3.48Å; D261-A265 PolarHBondContact O-N 3.26Å; D261-A265 VanDerWaalsContact O-N 3.08Å
262L95.8Very high96.8Very high48 Ų4846.7 Ų46.725%0.25121%0.208SC..Hα-helixtrans-69.7-35.9-179.1-60.4-179000112.1V256 A265 L266 P315 M318V256-L262 HydrophobicContact CB-CD2 4.34Å; V256-L262 HydrophobicContact CG1-CD2 3.94Å; V256-L262 HydrophobicContact CG2-CD2 4.02Å; L262-A265 WeakPolarHBondContact O-CB 3.45Å; L262-A265 PolarHBondContact O-N 3.13Å; L262-L266 PolarHBondContact O-N 3.25Å; L262-P315 HydrophobicContact CD1-CB 3.88Å; L262-P315 HydrophobicContact CD1-CG 4.39Å; L262-M318 HydrophobicContact CB-CE 3.94Å; L262-M318 HydrophobicContact CB-SD 3.89Å; L262-M318 HydrophobicContact CD1-SD 4.23Å; L262-M318 HydrophobicContact CD2-CB 4.26Å; L262-M318 HydrophobicContact CD2-CE 4.3Å; L262-M318 HydrophobicContact CD2-SD 4.19Å; L262-M318 HydrophobicContact CG-SD 4.32Å; L262-M318 WeakPolarHBondContact O-CE 3.32Å
263L95.4Very high96.6Very high114 Ų11447 Ų4760%0.59721%0.21SC*.Hα-helixtrans-69.1-42.4-179.7-64.4177.8000111D261 A265 L266 K267 I312D261-L263 PolarHBondContact OD1-N 3.15Å; L263-A265 VanDerWaalsContact C-N 3.34Å; L263-L266 PolarHBondContact O-N 3.23Å; L263-K267 PolarHBondContact O-N 3.18Å; L263-I312 HydrophobicContact CD2-CD1 3.54Å; L263-I312 HydrophobicContact CD2-CG1 4.19Å
264G96.3Very high96.4Very high10 Ų1052.2 Ų52.210%0.10324%0.238CC..Hα-helixtrans-61.6-41.8172.200000112.2D261 L266 K267 Y268D261-G264 PolarHBondContact OD1-N 3.06Å; D261-G264 WeakPolarHBondContact OD2-CA 3.48Å; G264-L266 PolarHBondContact O-N 3.35Å; G264-K267 WeakPolarHBondContact O-CB 3.45Å; G264-K267 PolarHBondContact O-N 2.81Å; G264-Y268 WeakPolarHBondContact O-CD2 3.24Å; G264-Y268 PolarHBondContact O-N 2.7Å
265A97.8Very high96.2Very high0 Ų054.3 Ų54.30%025%0.249CC..Hα-helixtrans-58.2-49.2174.700000112.1G252 F255 V256 D261 L262 L263 K267 Y268 W269 M318G252-A265 WeakPolarHBondContact O-CB 3.38Å; F255-A265 HydrophobicContact CB-CB 3.83Å; V256-A265 HydrophobicContact CG2-CB 3.46Å; V256-A265 VanDerWaalsContact CG2-CB 3.46Å; D261-A265 PolarHBondContact O-N 3.26Å; D261-A265 VanDerWaalsContact O-N 3.08Å; L262-A265 WeakPolarHBondContact O-CB 3.45Å; L262-A265 PolarHBondContact O-N 3.13Å; L263-A265 VanDerWaalsContact C-N 3.34Å; A265-K267 VanDerWaalsContact C-N 3.29Å; A265-K267 PolarHBondContact O-N 2.93Å; A265-Y268 PolarHBondContact O-N 3.42Å; A265-Y268 VanDerWaalsContact O-N 3.12Å; A265-W269 PolarHBondContact O-N 3.48Å; A265-M318 HydrophobicContact CB-CE 4.46Å
266L96.6Very high96Very high13 Ų1353.8 Ų53.87%0.06825%0.246CC..Hα-helixtrans-59.9-39.1179.7-172.565000112L262 L263 G264 Y268 W269 K270 L308 I312 M318L262-L266 PolarHBondContact O-N 3.25Å; L263-L266 PolarHBondContact O-N 3.23Å; G264-L266 PolarHBondContact O-N 3.35Å; L266-Y268 VanDerWaalsContact C-N 3.33Å; L266-Y268 PolarHBondContact O-N 3.21Å; L266-W269 PolarHBondContact O-N 3.42Å; L266-K270 HydrophobicContact CG-CD 4.35Å; L266-K270 WeakPolarHBondContact O-CB 3.49Å; L266-K270 WeakPolarHBondContact O-CG 3.29Å; L266-K270 PolarHBondContact O-N 3.47Å; L266-L308 HydrophobicContact CD1-CD1 3.75Å; L266-L308 HydrophobicContact CD1-CG 3.69Å; L266-L308 WeakPolarHBondContact CD1-O 3.41Å; L266-I312 HydrophobicContact CD2-CB 4.38Å; L266-M318 HydrophobicContact CB-CE 4.28Å
267K97Very high95.8Very high145 Ų14557.8 Ų57.863%0.6326%0.262SS*.Hα-helixtrans-57.7-45.2175.4-179.1-172.8175.8-174.10111.9L263 G264 A265 R271L263-K267 PolarHBondContact O-N 3.18Å; G264-K267 WeakPolarHBondContact O-CB 3.45Å; G264-K267 PolarHBondContact O-N 2.81Å; A265-K267 VanDerWaalsContact C-N 3.29Å; A265-K267 PolarHBondContact O-N 2.93Å; K267-R271 PolarHBondContact O-N 3.36Å; K267-R271 VanDerWaalsContact O-N 3.15Å
268Y98.1Very high95.5Very high18 Ų1862.5 Ų62.57%0.07129%0.291CS..Hα-helixtrans-72.6-38179.5-70.9-65.1000112.3T227 L248 L251 F255 G264 A265 L266 K270 R271 A272T227-Y268 HydrophobicContact CG2-CE2 4.35Å; T227-Y268 VanDerWaalsContact CG2-OH 3.24Å; T227-Y268 WeakPolarHBondContact CG2-OH 3.47Å; L248-Y268 HydrophobicContact CD2-CD1 3.79Å; L248-Y268 HydrophobicContact CD2-CE1 4.4Å; L251-Y268 HydrophobicContact CD2-CD1 3.81Å; L251-Y268 HydrophobicContact CD2-CD2 4.03Å; L251-Y268 HydrophobicContact CD2-CE1 3.6Å; L251-Y268 HydrophobicContact CD2-CE2 3.86Å; L251-Y268 HydrophobicContact CD2-CG 4.02Å; L251-Y268 HydrophobicContact CG-CD2 4.14Å; L251-Y268 HydrophobicContact CG-CE2 4.24Å; L251-Y268 HydrophobicContact CG-CG 4.34Å; F255-Y268 HydrophobicContact CD2-CD2 4.29Å; F255-Y268 HydrophobicContact CD2-CE2 4.16Å; F255-Y268 HydrophobicContact CE1-CE2 4.06Å; F255-Y268 HydrophobicContact CE2-CD2 4.22Å; F255-Y268 AromaticContact CE2-CE2 3.64Å; F255-Y268 HydrophobicContact CE2-CE2 3.64Å; F255-Y268 HydrophobicContact CZ-CD2 4.43Å; F255-Y268 AromaticContact CZ-CE2 3.59Å; F255-Y268 HydrophobicContact CZ-CE2 3.59Å; G264-Y268 WeakPolarHBondContact O-CD2 3.24Å; G264-Y268 PolarHBondContact O-N 2.7Å; A265-Y268 PolarHBondContact O-N 3.42Å; A265-Y268 VanDerWaalsContact O-N 3.12Å; L266-Y268 VanDerWaalsContact C-N 3.33Å; L266-Y268 PolarHBondContact O-N 3.21Å; Y268-K270 VanDerWaalsContact C-N 3.35Å; Y268-K270 PolarHBondContact O-N 2.95Å; Y268-R271 PolarHBondContact O-N 3.3Å; Y268-A272 WeakPolarHBondContact O-CB 3.36Å; Y268-A272 PolarHBondContact O-N 2.93Å
269W98.1Very high95.1Very high10 Ų1060.8 Ų60.84%0.03829%0.287CS..Hα-helixtrans-63.1-39.1173.6-66.8-14.6000112.5E249 V256 A265 L266 A272 M273 L308 L311 M318 Q321 A322 I325E249-W269 PolarHBondContact O-NE1 2.87Å; V256-W269 HydrophobicContact CG2-CH2 3.74Å; V256-W269 HydrophobicContact CG2-CZ2 3.97Å; A265-W269 PolarHBondContact O-N 3.48Å; L266-W269 PolarHBondContact O-N 3.42Å; W269-A272 PolarHBondContact O-N 2.92Å; W269-M273 WeakPolarHBondContact O-CB 3.34Å; W269-M273 PolarHBondContact O-N 3.41Å; W269-L308 HydrophobicContact CB-CD1 3.79Å; W269-L308 HydrophobicContact CB-CD2 4.23Å; W269-L308 HydrophobicContact CE3-CD1 4.09Å; W269-L311 HydrophobicContact CE3-CD1 4.15Å; W269-L311 HydrophobicContact CZ3-CD1 3.97Å; W269-M318 HydrophobicContact CE3-CE 4.3Å; W269-M318 HydrophobicContact CH2-CE 4.41Å; W269-M318 WeakPolarHBondContact CH2-O 3.18Å; W269-M318 HydrophobicContact CZ3-CB 4.42Å; W269-M318 HydrophobicContact CZ3-CE 3.7Å; W269-M318 HydrophobicContact CZ3-CG 4.4Å; W269-Q321 HydrophobicContact CH2-CB 3.73Å; W269-Q321 HydrophobicContact CZ2-CB 4.35Å; W269-Q321 HydrophobicContact CZ3-CB 4.11Å; W269-A322 HydrophobicContact CZ2-CB 4.46Å; W269-I325 HydrophobicContact CD2-CD1 4.44Å; W269-I325 HydrophobicContact CZ2-CD1 3.75Å
270K96.8Very high94.6Very high77 Ų7761.4 Ų61.434%0.33530%0.302SS..Hα-helixtrans-61.3-49.7173.8-77.9179.2175.4-167.70111.1L266 Y268 A272 M273 D274 L308 D309L266-K270 HydrophobicContact CG-CD 4.35Å; L266-K270 WeakPolarHBondContact O-CB 3.49Å; L266-K270 WeakPolarHBondContact O-CG 3.29Å; L266-K270 PolarHBondContact O-N 3.47Å; Y268-K270 VanDerWaalsContact C-N 3.35Å; Y268-K270 PolarHBondContact O-N 2.95Å; K270-A272 VanDerWaalsContact C-N 3.28Å; K270-A272 PolarHBondContact O-N 2.87Å; K270-M273 WeakPolarHBondContact O-CB 3.39Å; K270-M273 PolarHBondContact O-N 3.49Å; K270-M273 VanDerWaalsContact O-N 3.09Å; K270-D274 VanDerWaalsContact O-CG 3.26Å; K270-D274 PolarHBondContact O-N 3.29Å; K270-L308 HydrophobicContact CB-CD2 4.14Å; K270-L308 HydrophobicContact CG-CD2 3.43Å; K270-L308 VanDerWaalsContact CG-CD2 3.43Å; K270-L308 HydrophobicContact CG-CG 4.22Å; K270-D309 WeakPolarHBondContact CE-OD1 3.24Å; K270-D309 IonicContact NZ-OD1 2.61Å; K270-D309 PolarHBondContact NZ-OD1 2.96Å
271R96.6Very high94Very high84 Ų8460.3 Ų60.332%0.31731%0.31SS..Hα-helixtrans-59.1-39176.8-174-180166.9-161.2-5.8112.4D231 T234 L248 K267 Y268 L275D231-R271 IonicContact OD1-CZ 3.26Å; D231-R271 IonicContact OD1-NH1 2.78Å; D231-R271 PolarHBondContact OD1-NH1 3.5Å; T234-R271 PolarHBondContact OG1-NH2 3.05Å; L248-R271 HydrophobicContact CD1-CG 4.01Å; K267-R271 PolarHBondContact O-N 3.36Å; K267-R271 VanDerWaalsContact O-N 3.15Å; Y268-R271 PolarHBondContact O-N 3.3Å; R271-L275 WeakPolarHBondContact O-CG 3.24Å; R271-L275 PolarHBondContact O-N 2.82Å; R271-L275 VanDerWaalsContact O-N 3.17Å
272A97.2Very high93.6Very high0 Ų061.9 Ų61.90%032%0.318CS..Hα-helixtrans-68.5-41.1175.400000112.1I245 L248 E249 Y268 W269 K270 L275 R276I245-A272 HydrophobicContact CG2-CB 4.4Å; L248-A272 HydrophobicContact CB-CB 3.82Å; E249-A272 HydrophobicContact CG-CB 3.56Å; Y268-A272 WeakPolarHBondContact O-CB 3.36Å; Y268-A272 PolarHBondContact O-N 2.93Å; W269-A272 PolarHBondContact O-N 2.92Å; K270-A272 VanDerWaalsContact C-N 3.28Å; K270-A272 PolarHBondContact O-N 2.87Å; A272-L275 PolarHBondContact O-N 3.25Å; A272-R276 WeakPolarHBondContact O-CG 3.45Å; A272-R276 PolarHBondContact O-N 2.76Å
273M95.8Very high93.3Very high8 Ų862.8 Ų62.84%0.03932%0.323CS..Hα-helixtrans-61.6-44.4176.4-164.664.577.700111.2W269 K270 L275 R276 Y277 V302 L308W269-M273 WeakPolarHBondContact O-CB 3.34Å; W269-M273 PolarHBondContact O-N 3.41Å; K270-M273 WeakPolarHBondContact O-CB 3.39Å; K270-M273 PolarHBondContact O-N 3.49Å; K270-M273 VanDerWaalsContact O-N 3.09Å; M273-L275 VanDerWaalsContact C-N 3.32Å; M273-L275 PolarHBondContact O-N 3.21Å; M273-R276 WeakPolarHBondContact O-CB 3.4Å; M273-R276 PolarHBondContact O-N 3.3Å; M273-R276 VanDerWaalsContact O-N 3.14Å; M273-Y277 HydrophobicContact CG-CD2 4.29Å; M273-Y277 HydrophobicContact CG-CE2 4.18Å; M273-Y277 VanDerWaalsContact O-CD2 3.28Å; M273-Y277 WeakPolarHBondContact O-CD2 3.48Å; M273-Y277 PolarHBondContact O-N 3.13Å; M273-Y277 HydrophobicContact SD-CD2 4.21Å; M273-Y277 HydrophobicContact SD-CE2 3.57Å; M273-Y277 VanDerWaalsContact SD-CE2 3.57Å; M273-V302 HydrophobicContact CE-CG2 4.23Å; M273-L308 HydrophobicContact CB-CD2 4.2Å
274D94.5Very high93.2Very high108 Ų10858.6 Ų58.658%0.57830%0.302SS*.Hα-helixtrans-57.7-46.6174.4-64.4-26.1000110.5K270 R276 Y277 T278K270-D274 VanDerWaalsContact O-CG 3.26Å; K270-D274 PolarHBondContact O-N 3.29Å; D274-R276 VanDerWaalsContact C-N 3.28Å; D274-R276 PolarHBondContact O-N 3.28Å; D274-Y277 CarbonylContact O-C 3.5Å; D274-Y277 PolarHBondContact O-N 2.65Å; D274-Y277 VanDerWaalsContact O-N 3.12Å; D274-T278 VanDerWaalsContact C-OG1 3.29Å; D274-T278 WeakPolarHBondContact O-CB 3.45Å; D274-T278 PolarHBondContact O-N 3.47Å; D274-T278 PolarHBondContact O-OG1 2.97Å
275L93.7Very high93Very high44 Ų4464.2 Ų64.223%0.2333%0.325CS..Hα-helixtrans-62.1-30.9178-73.5174.4000113.6H241 I245 L248 R271 A272 M273 Y277 T278H241-L275 PolarHBondContact CE1-O 3.25Å; H241-L275 VanDerWaalsContact CE1-O 3.28Å; H241-L275 PolarHBondContact NE2-O 3.46Å; I245-L275 HydrophobicContact CD1-CB 4.26Å; I245-L275 HydrophobicContact CG1-CB 3.72Å; I245-L275 HydrophobicContact CG1-CD1 4.49Å; L248-L275 HydrophobicContact CD1-CD1 3.53Å; R271-L275 WeakPolarHBondContact O-CG 3.24Å; R271-L275 PolarHBondContact O-N 2.82Å; R271-L275 VanDerWaalsContact O-N 3.17Å; A272-L275 PolarHBondContact O-N 3.25Å; M273-L275 VanDerWaalsContact C-N 3.32Å; M273-L275 PolarHBondContact O-N 3.21Å; L275-Y277 VanDerWaalsContact C-N 3.28Å; L275-Y277 PolarHBondContact O-N 3.28Å; L275-T278 WeakPolarHBondContact CA-OG1 3.24Å
276R94.9Very high92.8Very high5 Ų565.6 Ų65.62%0.01933%0.331CS..Hα-helixtrans-64.5-33.2175.4-73177.7174-74.3-4.3112.6I245 E249 A272 M273 D274 I283 V284I245-R276 HydrophobicContact CD1-CG 3.93Å; I245-R276 HydrophobicContact CG1-CG 4.38Å; I245-R276 HydrophobicContact CG2-CG 3.74Å; E249-R276 IonicContact OE1-CZ 2.83Å; E249-R276 VanDerWaalsContact OE1-CZ 3.26Å; E249-R276 IonicContact OE1-NE 3.28Å; E249-R276 PolarHBondContact OE1-NE 3.09Å; E249-R276 IonicContact OE1-NH2 3.73Å; E249-R276 PolarHBondContact OE1-NH2 3.45Å; E249-R276 IonicContact OE2-CZ 2.63Å; E249-R276 IonicContact OE2-NH2 2.75Å; E249-R276 PolarHBondContact OE2-NH2 2.95Å; A272-R276 WeakPolarHBondContact O-CG 3.45Å; A272-R276 PolarHBondContact O-N 2.76Å; M273-R276 WeakPolarHBondContact O-CB 3.4Å; M273-R276 PolarHBondContact O-N 3.3Å; M273-R276 VanDerWaalsContact O-N 3.14Å; D274-R276 VanDerWaalsContact C-N 3.28Å; D274-R276 PolarHBondContact O-N 3.28Å; R276-I283 WeakPolarHBondContact O-CA 3.31Å; R276-V284 WeakPolarHBondContact CG-O 3.37Å; R276-V284 PolarHBondContact NH1-O 3.09Å; R276-V284 PolarHBondContact O-N 3.04Å; R276-V284 VanDerWaalsContact O-N 3.13Å
277Y92.8Very high92.5Very high89 Ų8968.9 Ų68.935%0.34935%0.353SS..Hα-helixtrans-114.85.9-173.1-60.4-71000114M273 D274 L275 D279 I283 T303M273-Y277 HydrophobicContact CG-CD2 4.29Å; M273-Y277 HydrophobicContact CG-CE2 4.18Å; M273-Y277 VanDerWaalsContact O-CD2 3.28Å; M273-Y277 WeakPolarHBondContact O-CD2 3.48Å; M273-Y277 PolarHBondContact O-N 3.13Å; M273-Y277 HydrophobicContact SD-CD2 4.21Å; M273-Y277 HydrophobicContact SD-CE2 3.57Å; M273-Y277 VanDerWaalsContact SD-CE2 3.57Å; D274-Y277 CarbonylContact O-C 3.5Å; D274-Y277 PolarHBondContact O-N 2.65Å; D274-Y277 VanDerWaalsContact O-N 3.12Å; L275-Y277 VanDerWaalsContact C-N 3.28Å; L275-Y277 PolarHBondContact O-N 3.28Å; Y277-D279 VanDerWaalsContact C-N 3.35Å; Y277-D279 PolarHBondContact O-N 3.49Å; Y277-I283 HydrophobicContact CD1-CD1 4.5Å; Y277-I283 HydrophobicContact CD1-CG1 4.49Å; Y277-I283 HydrophobicContact CD1-CG2 3.55Å; Y277-I283 HydrophobicContact CE1-CG2 3.52Å; Y277-T303 PolarHBondContact OH-O 3.44Å
278T89.3Confident92Very high99 Ų9970.8 Ų70.861%0.60736%0.364SS*.SBendtrans-64.5-38.4-178.9-61.80000112D274 L275D274-T278 VanDerWaalsContact C-OG1 3.29Å; D274-T278 WeakPolarHBondContact O-CB 3.45Å; D274-T278 PolarHBondContact O-N 3.47Å; D274-T278 PolarHBondContact O-OG1 2.97Å; L275-T278 WeakPolarHBondContact CA-OG1 3.24Å
279D85.9Confident91.2Very high74 Ų7473.4 Ų73.440%0.39638%0.384SS..  trans-105.4106.2177.5-175.7-3.1000110.2Y277 N281 N282 I283Y277-D279 VanDerWaalsContact C-N 3.35Å; Y277-D279 PolarHBondContact O-N 3.49Å; D279-N281 PolarHBondContact O-N 3.45Å; D279-N281 VanDerWaalsContact O-N 3.11Å; D279-N281 WeakPolarHBondContact OD1-CB 3.44Å; D279-N281 PolarHBondContact OD1-N 2.65Å; D279-N282 HydrophobicContact CB-CB 4.36Å; D279-N282 CarbonylContact O-C 3.37Å; D279-N282 PolarHBondContact O-N 3.12Å; D279-I283 PolarHBondContact O-N 2.94Å
280S82.9Confident90.5Very high101 Ų10183.5 Ų83.571%0.70643%0.428SS*.THydrogen-bonded Turntrans-59.7-21.2179.4-48.70000113.7
281N82.6Confident90.1Very high159 Ų15987.5 Ų87.585%0.8545%0.448SS*.THydrogen-bonded Turntrans-91.3-11.6178.6-65.1-38000113.2D279D279-N281 PolarHBondContact O-N 3.45Å; D279-N281 VanDerWaalsContact O-N 3.11Å; D279-N281 WeakPolarHBondContact OD1-CB 3.44Å; D279-N281 PolarHBondContact OD1-N 2.65Å
282N86.8Confident89.9Confident93 Ų9386.4 Ų86.450%0.49745%0.448SS..SBendtrans-141.357.3-176.5-170.832.3000111.5D279 V284D279-N282 HydrophobicContact CB-CB 4.36Å; D279-N282 CarbonylContact O-C 3.37Å; D279-N282 PolarHBondContact O-N 3.12Å; N282-V284 PolarHBondContact O-N 2.94Å
283I91Very high89.7Confident67 Ų6787.9 Ų87.934%0.34446%0.455SS..  trans-68.8128.6178.7-60.7174.1000109.8R276 Y277 D279 H285R276-I283 WeakPolarHBondContact O-CA 3.31Å; Y277-I283 HydrophobicContact CD1-CD1 4.5Å; Y277-I283 HydrophobicContact CD1-CG1 4.49Å; Y277-I283 HydrophobicContact CD1-CG2 3.55Å; Y277-I283 HydrophobicContact CE1-CG2 3.52Å; D279-I283 PolarHBondContact O-N 2.94Å; I283-H285 WeakPolarHBondContact CG2-NE2 3.41Å
284V92.8Very high89.6Confident27 Ų2792.6 Ų92.616%0.16448%0.479CS..  trans-99.991.9177.5-173.20000109.5T242 I245 R276 N282T242-V284 HydrophobicContact CG2-CG1 4.12Å; T242-V284 HydrophobicContact CG2-CG2 4.25Å; I245-V284 HydrophobicContact CD1-CB 4.08Å; I245-V284 HydrophobicContact CD1-CG1 4.38Å; I245-V284 HydrophobicContact CD1-CG2 4.1Å; R276-V284 WeakPolarHBondContact CG-O 3.37Å; R276-V284 PolarHBondContact NH1-O 3.09Å; R276-V284 PolarHBondContact O-N 3.04Å; R276-V284 VanDerWaalsContact O-N 3.13Å; N282-V284 PolarHBondContact O-N 2.94Å
285H92.1Very high89.6Confident127 Ų12787.9 Ų87.959%0.58846%0.455SS*.PPolyproline II helixtrans-69.2149.1176.3-66.7-71.9000112.2I283I283-H285 WeakPolarHBondContact CG2-NE2 3.41Å
286K93.3Very high89.7Confident29 Ų2985.9 Ų85.913%0.12644%0.444CS..PPolyproline II helixtrans-71.2139.3169.5-71.8-170.4176.1-165.80109.7E249 E301 V302E249-K286 VanDerWaalsContact OE1-CE 3.22Å; E249-K286 WeakPolarHBondContact OE1-CE 3Å; E249-K286 IonicContact OE1-NZ 3.86Å; K286-E301 HydrophobicContact CD-CB 3.85Å; K286-E301 WeakPolarHBondContact CD-OE2 3.47Å; K286-E301 WeakPolarHBondContact CE-OE2 3.2Å; K286-E301 IonicContact NZ-OE2 3.15Å; K286-E301 PolarHBondContact NZ-OE2 3.47Å; K286-V302 VanDerWaalsContact CD-O 3.28Å; K286-V302 WeakPolarHBondContact CD-O 3.22Å; K286-V302 WeakPolarHBondContact CE-O 3.46Å; K286-V302 PolarHBondContact NZ-O 2.98Å
287P90.8Very high89.6Confident83 Ų8390.1 Ų90.154%0.53947%0.467SS..PPolyproline II helixtrans-68.7140.6177.829.4-33.8000110.4R328P287-R328 HydrophobicContact CG-CG 4.2Å
288E86.2Confident89.7Confident184 Ų18492 Ų9286%0.8648%0.475SS*.PPolyproline II helixtrans-73.3134.3174.5-67.6-169.7163.500110.9
289P82.4Confident89.9Confident73 Ų7387.9 Ų87.947%0.47445%0.45SS..PPolyproline II helixtrans-68.6135.4177.628.2-33.4000110.4Q291 L292P289-Q291 VanDerWaalsContact C-N 3.25Å; P289-Q291 PolarHBondContact O-N 3.31Å; P289-L292 HydrophobicContact CG-CD2 4.02Å
290K82.4Confident90.4Very high222 Ų22290.5 Ų90.597%0.96546%0.458SS*.SBendtrans-61.8-35177-66.6-178-179.4177.30112.6
291Q88.4Confident91Very high162 Ų16287.1 Ų87.176%0.75743%0.431SS*.SBendtrans-149.2142.5179.9-176176.22.200109.3P289P289-Q291 VanDerWaalsContact C-N 3.25Å; P289-Q291 PolarHBondContact O-N 3.31Å
292L91.7Very high91.6Very high61 Ų6180.1 Ų80.132%0.31939%0.394SS..  trans-78.7137.8173-59.9179.9000110.7P289 Y298 K300P289-L292 HydrophobicContact CG-CD2 4.02Å; L292-Y298 HydrophobicContact CB-CD1 3.75Å; L292-Y298 HydrophobicContact CB-CG 4.43Å; L292-K300 HydrophobicContact CD2-CD 4.23Å; L292-K300 HydrophobicContact CD2-CG 3.62Å
293I93.5Very high91.9Very high30 Ų3078.7 Ų78.715%0.15439%0.389CS..  trans-96.1115.6-173.1-61.6160.4000108.3A295 Y296 Y298 Y363I293-A295 HydrophobicContact CG2-CB 4.02Å; I293-A295 PolarHBondContact O-N 2.91Å; I293-Y296 HydrophobicContact CB-CD2 3.75Å; I293-Y296 HydrophobicContact CB-CE2 4.32Å; I293-Y296 HydrophobicContact CB-CG 4.08Å; I293-Y296 HydrophobicContact CD1-CD2 3.54Å; I293-Y296 HydrophobicContact CD1-CE2 3.4Å; I293-Y296 HydrophobicContact CG1-CD2 4.25Å; I293-Y296 HydrophobicContact CG1-CE2 4.45Å; I293-Y296 HydrophobicContact CG2-CD1 4.26Å; I293-Y296 HydrophobicContact CG2-CD2 3.85Å; I293-Y296 HydrophobicContact CG2-CE2 4.18Å; I293-Y296 HydrophobicContact CG2-CG 3.88Å; I293-Y296 CarbonylContact O-C 3.56Å; I293-Y296 PolarHBondContact O-N 3.13Å; I293-Y298 PolarHBondContact O-N 3.22Å; I293-Y363 HydrophobicContact CD1-CE1 4.31Å; I293-Y363 WeakPolarHBondContact CD1-OH 3.48Å; I293-Y363 HydrophobicContact CG1-CE2 4.33Å; I293-Y363 HydrophobicContact CG2-CD1 4.15Å; I293-Y363 HydrophobicContact CG2-CD2 3.93Å; I293-Y363 HydrophobicContact CG2-CE1 3.91Å; I293-Y363 HydrophobicContact CG2-CE2 3.67Å; I293-Y363 HydrophobicContact CG2-CG 4.16Å
294M94.1Very high91.9Very high108 Ų10878 Ų7853%0.53239%0.386SS..G310 helixtrans-56.9-38.6178-179-173.276.400112Y296 D297 Y298M294-Y296 PolarHBondContact O-N 3.2Å; M294-Y296 VanDerWaalsContact O-N 3.17Å; M294-D297 PolarHBondContact O-N 3.18Å; M294-Y298 HydrophobicContact CB-CE1 3.9Å; M294-Y298 HydrophobicContact CB-CE2 4.34Å; M294-Y298 HydrophobicContact CG-CE1 4.48Å; M294-Y298 HydrophobicContact CG-CE2 4.12Å; M294-Y298 WeakPolarHBondContact CG-OH 3.46Å
295A94.4Very high91.8Very high9 Ų978.6 Ų78.67%0.07440%0.397CS..G310 helixtrans-65-17.3178.500000113.5I293 L360 Y363I293-A295 HydrophobicContact CG2-CB 4.02Å; I293-A295 PolarHBondContact O-N 2.91Å; A295-L360 HydrophobicContact CB-CD2 4.34Å; A295-L360 VanDerWaalsContact O-CD2 3.23Å; A295-L360 WeakPolarHBondContact O-CD2 3.04Å; A295-Y363 HydrophobicContact CB-CD1 4.37Å; A295-Y363 HydrophobicContact CB-CG 3.96Å
296Y95.8Very high91.6Very high1 Ų180.6 Ų80.60%0.00441%0.407CS..G310 helixtrans-103.123174-56.8-19.4000111.9I293 M294 Y298 A299 M320 L323 L324 E327 I341 L360 Y363I293-Y296 HydrophobicContact CB-CD2 3.75Å; I293-Y296 HydrophobicContact CB-CE2 4.32Å; I293-Y296 HydrophobicContact CB-CG 4.08Å; I293-Y296 HydrophobicContact CD1-CD2 3.54Å; I293-Y296 HydrophobicContact CD1-CE2 3.4Å; I293-Y296 HydrophobicContact CG1-CD2 4.25Å; I293-Y296 HydrophobicContact CG1-CE2 4.45Å; I293-Y296 HydrophobicContact CG2-CD1 4.26Å; I293-Y296 HydrophobicContact CG2-CD2 3.85Å; I293-Y296 HydrophobicContact CG2-CE2 4.18Å; I293-Y296 HydrophobicContact CG2-CG 3.88Å; I293-Y296 CarbonylContact O-C 3.56Å; I293-Y296 PolarHBondContact O-N 3.13Å; M294-Y296 PolarHBondContact O-N 3.2Å; M294-Y296 VanDerWaalsContact O-N 3.17Å; Y296-Y298 PolarHBondContact O-N 3.16Å; Y296-Y298 VanDerWaalsContact O-N 3.09Å; Y296-A299 WeakPolarHBondContact O-CB 3.42Å; Y296-A299 PolarHBondContact O-N 2.92Å; Y296-M320 VanDerWaalsContact CA-SD 3.58Å; Y296-M320 HydrophobicContact CD1-SD 4.48Å; Y296-L323 HydrophobicContact CD1-CB 4.34Å; Y296-L323 HydrophobicContact CD1-CD1 3.81Å; Y296-L323 HydrophobicContact CE1-CB 3.94Å; Y296-L323 HydrophobicContact CE1-CD1 3.61Å; Y296-L323 HydrophobicContact CE1-CG 4.39Å; Y296-L323 HydrophobicContact CE2-CB 4.31Å; Y296-L324 HydrophobicContact CD2-CD2 3.68Å; Y296-L324 HydrophobicContact CD2-CG 4.17Å; Y296-L324 HydrophobicContact CE2-CD2 4.2Å; Y296-E327 VanDerWaalsContact CE2-OE2 3.26Å; Y296-E327 WeakPolarHBondContact CE2-OE2 3.39Å; Y296-E327 PolarHBondContact OH-OE2 3.48Å; Y296-I341 HydrophobicContact CE1-CG1 4.27Å; Y296-I341 WeakPolarHBondContact OH-CD1 3Å; Y296-I341 WeakPolarHBondContact OH-CG1 3.34Å; Y296-L360 HydrophobicContact CD1-CD2 3.92Å; Y296-L360 HydrophobicContact CE1-CD2 4Å; Y296-Y363 HydrophobicContact CE1-CD1 4.1Å; Y296-Y363 HydrophobicContact CE1-CE1 4.15Å; Y296-Y363 HydrophobicContact CE2-CE1 4.2Å; Y296-Y363 AromaticContact CZ-CE1 3.66Å; Y296-Y363 WeakPolarHBondContact OH-CE1 3.35Å
297D93.3Very high91.6Very high94 Ų9483.4 Ų83.450%0.50342%0.42SS..THydrogen-bonded Turntrans52.731.6-175.9-62.4-44.6000113.6M294 A299 R356M294-D297 PolarHBondContact O-N 3.18Å; D297-A299 PolarHBondContact O-N 2.86Å; D297-R356 IonicContact OD2-CZ 3.55Å; D297-R356 IonicContact OD2-NE 3.59Å; D297-R356 PolarHBondContact OD2-NE 3.35Å; D297-R356 IonicContact OD2-NH2 2.69Å; D297-R356 PolarHBondContact OD2-NH2 3.11Å
298Y94.6Very high91.7Very high130 Ų13079.5 Ų79.551%0.5140%0.395SS..THydrogen-bonded Turntrans58.622.3-176.5-50.8-81.6000114.3L292 I293 M294 Y296L292-Y298 HydrophobicContact CB-CD1 3.75Å; L292-Y298 HydrophobicContact CB-CG 4.43Å; I293-Y298 PolarHBondContact O-N 3.22Å; M294-Y298 HydrophobicContact CB-CE1 3.9Å; M294-Y298 HydrophobicContact CB-CE2 4.34Å; M294-Y298 HydrophobicContact CG-CE1 4.48Å; M294-Y298 HydrophobicContact CG-CE2 4.12Å; M294-Y298 WeakPolarHBondContact CG-OH 3.46Å; Y296-Y298 PolarHBondContact O-N 3.16Å; Y296-Y298 VanDerWaalsContact O-N 3.09Å
299A94.1Very high91.8Very high11 Ų1175 Ų759%0.09138%0.377CS..  trans-58.1154.7177.500000112.4Y296 D297 M320 L324Y296-A299 WeakPolarHBondContact O-CB 3.42Å; Y296-A299 PolarHBondContact O-N 2.92Å; D297-A299 PolarHBondContact O-N 2.86Å; A299-M320 HydrophobicContact CB-CB 3.74Å; A299-M320 HydrophobicContact CB-CG 4.35Å; A299-L324 HydrophobicContact CB-CD1 3.98Å
300K94.8Very high92.2Very high129 Ų12973.6 Ų73.656%0.56138%0.376SS*.  trans-129146.4176.9-71.9-178.3177.2179.20109.8L292 V302 Q321L292-K300 HydrophobicContact CD2-CD 4.23Å; L292-K300 HydrophobicContact CD2-CG 3.62Å; K300-V302 PolarHBondContact O-N 3.5Å; K300-Q321 PolarHBondContact O-NE2 2.79Å
301E96.1Very high92.6Very high31 Ų3163.5 Ų63.515%0.14533%0.333CS..  trans-62.6134.6177.2-76.5-168.4-120.100111.8K286 T303 Q321 L324 I325 R328K286-E301 HydrophobicContact CD-CB 3.85Å; K286-E301 WeakPolarHBondContact CD-OE2 3.47Å; K286-E301 WeakPolarHBondContact CE-OE2 3.2Å; K286-E301 IonicContact NZ-OE2 3.15Å; K286-E301 PolarHBondContact NZ-OE2 3.47Å; E301-T303 WeakPolarHBondContact O-CG2 3.4Å; E301-Q321 VanDerWaalsContact CA-OE1 3.25Å; E301-L324 HydrophobicContact CG-CB 3.74Å; E301-L324 HydrophobicContact CG-CD1 4.21Å; E301-I325 HydrophobicContact CG-CG1 4.4Å; E301-I325 WeakPolarHBondContact OE2-CG1 3.5Å; E301-R328 WeakPolarHBondContact OE1-CD 3.28Å; E301-R328 IonicContact OE1-CZ 2.7Å; E301-R328 IonicContact OE1-NE 3.83Å; E301-R328 PolarHBondContact OE1-NE 3.37Å; E301-R328 IonicContact OE1-NH2 3.57Å; E301-R328 IonicContact OE2-CZ 2.66Å; E301-R328 IonicContact OE2-NE 2.88Å; E301-R328 PolarHBondContact OE2-NE 3.03Å; E301-R328 IonicContact OE2-NH2 3.88Å; E301-R328 PolarHBondContact OE2-NH2 3.27Å
302V94.9Very high92.5Very high12 Ų1260.3 Ų60.37%0.07332%0.32CS..  trans-59.6137.6172.9-64.60000110.7M273 K286 K300 E307 L308 L311M273-V302 HydrophobicContact CE-CG2 4.23Å; K286-V302 VanDerWaalsContact CD-O 3.28Å; K286-V302 WeakPolarHBondContact CD-O 3.22Å; K286-V302 WeakPolarHBondContact CE-O 3.46Å; K286-V302 PolarHBondContact NZ-O 2.98Å; K300-V302 PolarHBondContact O-N 3.5Å; V302-E307 WeakPolarHBondContact CA-OE2 3.02Å; V302-E307 HydrophobicContact CB-CB 4.07Å; V302-E307 HydrophobicContact CG1-CB 3.99Å; V302-L308 HydrophobicContact CG2-CD1 3.79Å; V302-L311 HydrophobicContact CG1-CD1 3.97Å; V302-L311 HydrophobicContact CG1-CD2 4.03Å; V302-L311 HydrophobicContact CG1-CG 4.12Å; V302-L311 HydrophobicContact CG2-CD1 4.28Å
303T93.4Very high92.4Very high62 Ų6262.5 Ų62.538%0.3834%0.34SS..  trans-113.7-16.3-170.762.40000113.9Y277 E301 E307Y277-T303 PolarHBondContact OH-O 3.44Å; E301-T303 WeakPolarHBondContact O-CG2 3.4Å; T303-E307 PolarHBondContact N-OE2 2.87Å; T303-E307 PolarHBondContact OG1-OE2 3.42Å
304N91.3Very high92.5Very high53 Ų5364.6 Ų64.628%0.28335%0.352SS..SBendtrans-139169-1786066.6000112.2E306 E307 L308N304-E306 PolarHBondContact OD1-N 3.3Å; N304-E307 PolarHBondContact ND2-OE1 3.32Å; N304-E307 WeakPolarHBondContact OD1-CB 2.95Å; N304-E307 WeakPolarHBondContact OD1-CG 3.36Å; N304-E307 PolarHBondContact OD1-N 2.93Å; N304-L308 WeakPolarHBondContact O-CB 3.38Å; N304-L308 PolarHBondContact O-N 3.41Å
305G89.4Confident92.5Very high39 Ų3962.1 Ų62.140%0.40234%0.344SS..Hα-helixtrans-68.6-32.4-177.200000114.3L308 D309G305-L308 WeakPolarHBondContact O-CB 3.46Å; G305-L308 PolarHBondContact O-N 3.17Å; G305-D309 PolarHBondContact O-N 3.23Å
306E89.5Confident92.4Very high170 Ų17064.1 Ų64.179%0.79435%0.353SS*.Hα-helixtrans-67.9-45.7-179.8-63.2-178.9179.900111.4N304 L308 D309 G310N304-E306 PolarHBondContact OD1-N 3.3Å; E306-L308 PolarHBondContact O-N 3Å; E306-D309 PolarHBondContact O-N 2.92Å; E306-G310 PolarHBondContact O-N 3.45Å
307E92.3Very high92.3Very high87 Ų8766.8 Ų66.841%0.40737%0.365SS..Hα-helixtrans-57.7-41172-75.7168.8-163.900111.4V302 T303 N304 G310 L311V302-E307 WeakPolarHBondContact CA-OE2 3.02Å; V302-E307 HydrophobicContact CB-CB 4.07Å; V302-E307 HydrophobicContact CG1-CB 3.99Å; T303-E307 PolarHBondContact N-OE2 2.87Å; T303-E307 PolarHBondContact OG1-OE2 3.42Å; N304-E307 PolarHBondContact ND2-OE1 3.32Å; N304-E307 WeakPolarHBondContact OD1-CB 2.95Å; N304-E307 WeakPolarHBondContact OD1-CG 3.36Å; N304-E307 PolarHBondContact OD1-N 2.93Å; E307-G310 PolarHBondContact O-N 2.9Å; E307-L311 PolarHBondContact O-N 3.35Å
308L92.6Very high92.5Very high2 Ų262.5 Ų62.51%0.0134%0.342CS..Hα-helixtrans-66-38.2-179.2-17168.2000111.9L266 W269 K270 M273 V302 N304 G305 E306 G310 L311L266-L308 HydrophobicContact CD1-CD1 3.75Å; L266-L308 HydrophobicContact CD1-CG 3.69Å; L266-L308 WeakPolarHBondContact CD1-O 3.41Å; W269-L308 HydrophobicContact CB-CD1 3.79Å; W269-L308 HydrophobicContact CB-CD2 4.23Å; W269-L308 HydrophobicContact CE3-CD1 4.09Å; K270-L308 HydrophobicContact CB-CD2 4.14Å; K270-L308 HydrophobicContact CG-CD2 3.43Å; K270-L308 VanDerWaalsContact CG-CD2 3.43Å; K270-L308 HydrophobicContact CG-CG 4.22Å; M273-L308 HydrophobicContact CB-CD2 4.2Å; V302-L308 HydrophobicContact CG2-CD1 3.79Å; N304-L308 WeakPolarHBondContact O-CB 3.38Å; N304-L308 PolarHBondContact O-N 3.41Å; G305-L308 WeakPolarHBondContact O-CB 3.46Å; G305-L308 PolarHBondContact O-N 3.17Å; E306-L308 PolarHBondContact O-N 3Å; L308-G310 VanDerWaalsContact C-N 3.3Å; L308-G310 PolarHBondContact O-N 3.34Å; L308-L311 HydrophobicContact CD1-CD1 3.84Å; L308-L311 WeakPolarHBondContact O-CB 3.17Å; L308-L311 PolarHBondContact O-N 2.82Å
309D89.4Confident92.6Very high88 Ų8859.6 Ų59.647%0.47133%0.331SS..Hα-helixtrans-65.6-31.9174.8-78.6-28.4000112.8K270 G305 E306 L311 I312K270-D309 WeakPolarHBondContact CE-OD1 3.24Å; K270-D309 IonicContact NZ-OD1 2.61Å; K270-D309 PolarHBondContact NZ-OD1 2.96Å; G305-D309 PolarHBondContact O-N 3.23Å; E306-D309 PolarHBondContact O-N 2.92Å; D309-L311 VanDerWaalsContact C-N 3.31Å; D309-L311 PolarHBondContact O-N 3.04Å; D309-I312 WeakPolarHBondContact O-CG2 3.48Å
310G90.1Very high92.7Very high45 Ų4559.2 Ų59.246%0.46433%0.327SS..Hα-helixtrans-66.2-28175.700000114.3E306 E307 L308 I312 S313E306-G310 PolarHBondContact O-N 3.45Å; E307-G310 PolarHBondContact O-N 2.9Å; L308-G310 VanDerWaalsContact C-N 3.3Å; L308-G310 PolarHBondContact O-N 3.34Å; G310-I312 VanDerWaalsContact C-N 3.25Å; G310-I312 PolarHBondContact O-N 3.45Å; G310-I312 VanDerWaalsContact O-N 3.16Å; G310-S313 PolarHBondContact O-N 3.05Å
311L91.8Very high92.8Very high10 Ų1053.1 Ų53.15%0.05230%0.3CS..G310 helixtrans-61.2-27.3-173.6-71.1-173.4000114.6W269 V302 E307 L308 D309 S313 D314 E317 M318 Q321W269-L311 HydrophobicContact CE3-CD1 4.15Å; W269-L311 HydrophobicContact CZ3-CD1 3.97Å; V302-L311 HydrophobicContact CG1-CD1 3.97Å; V302-L311 HydrophobicContact CG1-CD2 4.03Å; V302-L311 HydrophobicContact CG1-CG 4.12Å; V302-L311 HydrophobicContact CG2-CD1 4.28Å; E307-L311 PolarHBondContact O-N 3.35Å; L308-L311 HydrophobicContact CD1-CD1 3.84Å; L308-L311 WeakPolarHBondContact O-CB 3.17Å; L308-L311 PolarHBondContact O-N 2.82Å; D309-L311 VanDerWaalsContact C-N 3.31Å; D309-L311 PolarHBondContact O-N 3.04Å; L311-S313 PolarHBondContact O-N 3.13Å; L311-S313 VanDerWaalsContact O-N 3.11Å; L311-D314 CarbonylContact O-C 3.58Å; L311-D314 PolarHBondContact O-N 3Å; L311-E317 HydrophobicContact CD2-CB 4.18Å; L311-E317 HydrophobicContact CD2-CG 3.5Å; L311-M318 HydrophobicContact CB-CG 3.86Å; L311-M318 HydrophobicContact CB-SD 4.46Å; L311-M318 HydrophobicContact CD1-CG 4.46Å; L311-M318 WeakPolarHBondContact O-CG 3.45Å; L311-Q321 HydrophobicContact CD1-CG 4.03Å; L311-Q321 HydrophobicContact CD2-CG 4.31Å
312I85.7Confident92.9Very high94 Ų9451.6 Ų51.648%0.48229%0.294SS..G310 helixtrans-61.1-24.6-177.8-164.9166.8000112.7L263 L266 D309 G310L263-I312 HydrophobicContact CD2-CD1 3.54Å; L263-I312 HydrophobicContact CD2-CG1 4.19Å; L266-I312 HydrophobicContact CD2-CB 4.38Å; D309-I312 WeakPolarHBondContact O-CG2 3.48Å; G310-I312 VanDerWaalsContact C-N 3.25Å; G310-I312 PolarHBondContact O-N 3.45Å; G310-I312 VanDerWaalsContact O-N 3.16Å
313S90.3Very high93Very high107 Ų10751.2 Ų51.275%0.74829%0.291SS*.G310 helixtrans-82.9-14.7179.9-52.60000112.8G310 L311G310-S313 PolarHBondContact O-N 3.05Å; L311-S313 PolarHBondContact O-N 3.13Å; L311-S313 VanDerWaalsContact O-N 3.11Å
314D94.3Very high93.2Very high75 Ų7549.3 Ų49.340%0.40128%0.278SS..  trans-128.390.7-177.8-166.6-24.5000111.7L311 D316 E317 M318L311-D314 CarbonylContact O-C 3.58Å; L311-D314 PolarHBondContact O-N 3Å; D314-D316 PolarHBondContact O-N 3.32Å; D314-D316 WeakPolarHBondContact OD1-CA 3.42Å; D314-D316 WeakPolarHBondContact OD1-CB 3.38Å; D314-D316 PolarHBondContact OD1-N 3.44Å; D314-E317 HydrophobicContact CB-CB 3.94Å; D314-E317 PolarHBondContact O-N 2.76Å; D314-E317 PolarHBondContact OD1-N 3.26Å; D314-M318 PolarHBondContact O-N 3.33Å
315P93.8Very high93.5Very high56 Ų5646.9 Ų46.936%0.36427%0.265SS..Hα-helixtrans-61.3-25.5176.3-25.135.4000114.3L262 R319L262-P315 HydrophobicContact CD1-CB 3.88Å; L262-P315 HydrophobicContact CD1-CG 4.39Å; P315-R319 VanDerWaalsContact O-CD 3.31Å; P315-R319 WeakPolarHBondContact O-CD 3.16Å; P315-R319 WeakPolarHBondContact O-CG 3.38Å; P315-R319 PolarHBondContact O-N 3.19Å; P315-R319 PolarHBondContact O-NE 3.08Å
316D92.8Very high93.9Very high50 Ų5045.1 Ų45.127%0.26725%0.246SC..Hα-helixtrans-76.7-41-179.9-101.9-5.4000111D314 M318 R319 M320 Y348 R356D314-D316 PolarHBondContact O-N 3.32Å; D314-D316 WeakPolarHBondContact OD1-CA 3.42Å; D314-D316 WeakPolarHBondContact OD1-CB 3.38Å; D314-D316 PolarHBondContact OD1-N 3.44Å; D316-M318 VanDerWaalsContact C-N 3.34Å; D316-M318 PolarHBondContact O-N 3.3Å; D316-R319 WeakPolarHBondContact O-CB 3.47Å; D316-R319 PolarHBondContact O-N 3.38Å; D316-R319 VanDerWaalsContact O-N 3.07Å; D316-R319 IonicContact OD1-CZ 3.7Å; D316-R319 IonicContact OD1-NH1 2.69Å; D316-R319 PolarHBondContact OD1-NH1 3.12Å; D316-M320 PolarHBondContact O-N 2.97Å; D316-M320 VanDerWaalsContact O-N 3.11Å; D316-Y348 PolarHBondContact OD1-OH 3.07Å; D316-R356 IonicContact OD1-NH1 3.48Å; D316-R356 IonicContact OD2-CZ 2.71Å; D316-R356 IonicContact OD2-NH1 3.6Å; D316-R356 PolarHBondContact OD2-NH1 2.94Å
317E95.1Very high94.2Very high57 Ų5738.9 Ų38.927%0.26622%0.217SC..Hα-helixtrans-60.5-44.2172.8-173.556-144.400110.9L311 D314 R319 M320 Q321L311-E317 HydrophobicContact CD2-CB 4.18Å; L311-E317 HydrophobicContact CD2-CG 3.5Å; D314-E317 HydrophobicContact CB-CB 3.94Å; D314-E317 PolarHBondContact O-N 2.76Å; D314-E317 PolarHBondContact OD1-N 3.26Å; E317-R319 PolarHBondContact O-N 3.01Å; E317-R319 VanDerWaalsContact O-N 3.15Å; E317-M320 PolarHBondContact O-N 2.84Å; E317-Q321 WeakPolarHBondContact O-CG 3.42Å; E317-Q321 PolarHBondContact O-N 3.41Å; E317-Q321 PolarHBondContact OE1-NE2 3.08Å
318M96.5Very high94.4Very high4 Ų437.8 Ų37.82%0.0221%0.21CC..Hα-helixtrans-56.5-33.5174.7-68.6-169.577.400113.1L262 A265 L266 W269 L311 D314 D316 A322L262-M318 HydrophobicContact CB-CE 3.94Å; L262-M318 HydrophobicContact CB-SD 3.89Å; L262-M318 HydrophobicContact CD1-SD 4.23Å; L262-M318 HydrophobicContact CD2-CB 4.26Å; L262-M318 HydrophobicContact CD2-CE 4.3Å; L262-M318 HydrophobicContact CD2-SD 4.19Å; L262-M318 HydrophobicContact CG-SD 4.32Å; L262-M318 WeakPolarHBondContact O-CE 3.32Å; A265-M318 HydrophobicContact CB-CE 4.46Å; L266-M318 HydrophobicContact CB-CE 4.28Å; W269-M318 HydrophobicContact CE3-CE 4.3Å; W269-M318 HydrophobicContact CH2-CE 4.41Å; W269-M318 WeakPolarHBondContact CH2-O 3.18Å; W269-M318 HydrophobicContact CZ3-CB 4.42Å; W269-M318 HydrophobicContact CZ3-CE 3.7Å; W269-M318 HydrophobicContact CZ3-CG 4.4Å; L311-M318 HydrophobicContact CB-CG 3.86Å; L311-M318 HydrophobicContact CB-SD 4.46Å; L311-M318 HydrophobicContact CD1-CG 4.46Å; L311-M318 WeakPolarHBondContact O-CG 3.45Å; D314-M318 PolarHBondContact O-N 3.33Å; D316-M318 VanDerWaalsContact C-N 3.34Å; D316-M318 PolarHBondContact O-N 3.3Å; M318-A322 PolarHBondContact O-N 3.09Å; M318-A322 VanDerWaalsContact O-N 3.14Å
319R96.3Very high94.6Very high70 Ų7039.1 Ų39.126%0.26422%0.216SC..Hα-helixtrans-71.1-39.4176.7-65.4161.8-174.8161.40.1110.9V256 P315 D316 E317 A322 L323 R344V256-R319 HydrophobicContact CG1-CG 4.13Å; P315-R319 VanDerWaalsContact O-CD 3.31Å; P315-R319 WeakPolarHBondContact O-CD 3.16Å; P315-R319 WeakPolarHBondContact O-CG 3.38Å; P315-R319 PolarHBondContact O-N 3.19Å; P315-R319 PolarHBondContact O-NE 3.08Å; D316-R319 WeakPolarHBondContact O-CB 3.47Å; D316-R319 PolarHBondContact O-N 3.38Å; D316-R319 VanDerWaalsContact O-N 3.07Å; D316-R319 IonicContact OD1-CZ 3.7Å; D316-R319 IonicContact OD1-NH1 2.69Å; D316-R319 PolarHBondContact OD1-NH1 3.12Å; E317-R319 PolarHBondContact O-N 3.01Å; E317-R319 VanDerWaalsContact O-N 3.15Å; R319-A322 PolarHBondContact O-N 2.92Å; R319-L323 PolarHBondContact O-N 3.04Å; R319-R344 VanDerWaalsContact CD-NH1 3.33Å; R319-R344 VanDerWaalsContact CG-CZ 3.45Å
320M96.4Very high95Very high2 Ų235.7 Ų35.71%0.0120%0.198CC..Hα-helixtrans-66.9-39.8175.5-62.5-55.596.600111.4Y296 A299 D316 E317 A322 L323 L324 R344 Y348Y296-M320 VanDerWaalsContact CA-SD 3.58Å; Y296-M320 HydrophobicContact CD1-SD 4.48Å; A299-M320 HydrophobicContact CB-CB 3.74Å; A299-M320 HydrophobicContact CB-CG 4.35Å; D316-M320 PolarHBondContact O-N 2.97Å; D316-M320 VanDerWaalsContact O-N 3.11Å; E317-M320 PolarHBondContact O-N 2.84Å; M320-A322 VanDerWaalsContact C-N 3.3Å; M320-A322 PolarHBondContact O-N 3.34Å; M320-L323 HydrophobicContact CE-CD1 3.86Å; M320-L323 PolarHBondContact O-N 2.91Å; M320-L323 VanDerWaalsContact O-N 3.17Å; M320-L323 HydrophobicContact SD-CD1 4.42Å; M320-L324 WeakPolarHBondContact O-CG 3.48Å; M320-L324 PolarHBondContact O-N 3.3Å; M320-R344 HydrophobicContact CE-CG 4.31Å; M320-Y348 HydrophobicContact CE-CE2 4.38Å
321Q97.3Very high95.2Very high1 Ų134.3 Ų34.31%0.00518%0.184CC..Hα-helixtrans-55.2-45.1171.8-64.4-59.9-51.900111.7W269 K300 E301 L311 E317 L323 L324 I325W269-Q321 HydrophobicContact CH2-CB 3.73Å; W269-Q321 HydrophobicContact CZ2-CB 4.35Å; W269-Q321 HydrophobicContact CZ3-CB 4.11Å; K300-Q321 PolarHBondContact O-NE2 2.79Å; E301-Q321 VanDerWaalsContact CA-OE1 3.25Å; L311-Q321 HydrophobicContact CD1-CG 4.03Å; L311-Q321 HydrophobicContact CD2-CG 4.31Å; E317-Q321 WeakPolarHBondContact O-CG 3.42Å; E317-Q321 PolarHBondContact O-N 3.41Å; E317-Q321 PolarHBondContact OE1-NE2 3.08Å; Q321-L323 VanDerWaalsContact C-N 3.34Å; Q321-L323 PolarHBondContact O-N 3.46Å; Q321-L324 PolarHBondContact O-N 3.35Å; Q321-I325 WeakPolarHBondContact O-CB 3.46Å; Q321-I325 WeakPolarHBondContact O-CD1 3.42Å; Q321-I325 WeakPolarHBondContact O-CG1 3.41Å; Q321-I325 PolarHBondContact O-N 3.47Å
322A98.1Very high95.3Very high0 Ų035.8 Ų35.80%019%0.194CC..Hα-helixtrans-62.8-37.717900000113.1A253 V256 W269 M318 R319 M320 R326A253-A322 HydrophobicContact CB-CB 3.86Å; V256-A322 HydrophobicContact CB-CB 3.84Å; V256-A322 HydrophobicContact CG1-CB 3.88Å; V256-A322 HydrophobicContact CG2-CB 4.19Å; W269-A322 HydrophobicContact CZ2-CB 4.46Å; M318-A322 PolarHBondContact O-N 3.09Å; M318-A322 VanDerWaalsContact O-N 3.14Å; R319-A322 PolarHBondContact O-N 2.92Å; M320-A322 VanDerWaalsContact C-N 3.3Å; M320-A322 PolarHBondContact O-N 3.34Å; A322-R326 VanDerWaalsContact O-CB 3.31Å; A322-R326 WeakPolarHBondContact O-CB 3.49Å; A322-R326 PolarHBondContact O-N 3.48Å; A322-R326 VanDerWaalsContact O-N 3.14Å; A322-R326 PolarHBondContact O-NH1 2.83Å
323L97.7Very high95.6Very high3 Ų337.3 Ų37.32%0.01620%0.199CC..Hα-helixtrans-68.6-46.8175.8-63.3-176.6000111.6Y296 R319 M320 Q321 R326 E327 I341 R344 L360Y296-L323 HydrophobicContact CD1-CB 4.34Å; Y296-L323 HydrophobicContact CD1-CD1 3.81Å; Y296-L323 HydrophobicContact CE1-CB 3.94Å; Y296-L323 HydrophobicContact CE1-CD1 3.61Å; Y296-L323 HydrophobicContact CE1-CG 4.39Å; Y296-L323 HydrophobicContact CE2-CB 4.31Å; R319-L323 PolarHBondContact O-N 3.04Å; M320-L323 HydrophobicContact CE-CD1 3.86Å; M320-L323 PolarHBondContact O-N 2.91Å; M320-L323 VanDerWaalsContact O-N 3.17Å; M320-L323 HydrophobicContact SD-CD1 4.42Å; Q321-L323 VanDerWaalsContact C-N 3.34Å; Q321-L323 PolarHBondContact O-N 3.46Å; L323-R326 PolarHBondContact O-N 3.32Å; L323-E327 WeakPolarHBondContact O-CB 3.43Å; L323-E327 PolarHBondContact O-N 2.97Å; L323-I341 HydrophobicContact CD2-CG1 4.1Å; L323-R344 HydrophobicContact CD1-CB 4.44Å; L323-R344 HydrophobicContact CD1-CG 4.24Å; L323-L360 HydrophobicContact CD1-CD2 3.94Å
324L97.3Very high95.8Very high22 Ų2232.9 Ų32.912%0.11517%0.167CC..Hα-helixtrans-58.2-49.8177.6-71.5168.1000112Y296 A299 E301 M320 Q321 R326 E327 R328Y296-L324 HydrophobicContact CD2-CD2 3.68Å; Y296-L324 HydrophobicContact CD2-CG 4.17Å; Y296-L324 HydrophobicContact CE2-CD2 4.2Å; A299-L324 HydrophobicContact CB-CD1 3.98Å; E301-L324 HydrophobicContact CG-CB 3.74Å; E301-L324 HydrophobicContact CG-CD1 4.21Å; M320-L324 WeakPolarHBondContact O-CG 3.48Å; M320-L324 PolarHBondContact O-N 3.3Å; Q321-L324 PolarHBondContact O-N 3.35Å; L324-R326 VanDerWaalsContact C-N 3.31Å; L324-R326 PolarHBondContact O-N 2.92Å; L324-E327 PolarHBondContact O-N 3.45Å; L324-R328 WeakPolarHBondContact O-CB 3.47Å; L324-R328 PolarHBondContact O-N 3.28Å
325I97.8Very high95.7Very high2 Ų231.1 Ų31.11%0.0116%0.159CC..Hα-helixtrans-58.2-46178.6-71.8166.2000110.5E249 A253 W269 E301 Q321 R328 I329E249-I325 HydrophobicContact CB-CG2 3.87Å; A253-I325 HydrophobicContact CB-CB 4.37Å; A253-I325 HydrophobicContact CB-CG2 4.13Å; W269-I325 HydrophobicContact CD2-CD1 4.44Å; W269-I325 HydrophobicContact CZ2-CD1 3.75Å; E301-I325 HydrophobicContact CG-CG1 4.4Å; E301-I325 WeakPolarHBondContact OE2-CG1 3.5Å; Q321-I325 WeakPolarHBondContact O-CB 3.46Å; Q321-I325 WeakPolarHBondContact O-CD1 3.42Å; Q321-I325 WeakPolarHBondContact O-CG1 3.41Å; Q321-I325 PolarHBondContact O-N 3.47Å; I325-R328 PolarHBondContact O-N 3.4Å; I325-I329 HydrophobicContact CG2-CD1 3.63Å; I325-I329 WeakPolarHBondContact O-CB 3.44Å; I325-I329 VanDerWaalsContact O-CG1 3.31Å; I325-I329 WeakPolarHBondContact O-CG1 3.4Å; I325-I329 PolarHBondContact O-N 3.13Å
326R97.8Very high95.8Very high2 Ų230.2 Ų30.21%0.00815%0.151CC..Hα-helixtrans-66.1-43.8-177.6-174.4165.2-71.1100-7.2111.8L250 A253 T254 D257 A322 L323 L324 I329 L330L250-R326 HydrophobicContact CD1-CB 4.45Å; L250-R326 HydrophobicContact CD1-CG 4.32Å; A253-R326 PolarHBondContact O-NH2 3.34Å; T254-R326 VanDerWaalsContact N-NH2 3.2Å; T254-R326 PolarHBondContact OG1-NH2 3.35Å; D257-R326 IonicContact OD2-CZ 3.96Å; D257-R326 IonicContact OD2-NH1 2.69Å; D257-R326 PolarHBondContact OD2-NH1 3.02Å; D257-R326 IonicContact OD2-NH2 3.78Å; A322-R326 VanDerWaalsContact O-CB 3.31Å; A322-R326 WeakPolarHBondContact O-CB 3.49Å; A322-R326 PolarHBondContact O-N 3.48Å; A322-R326 VanDerWaalsContact O-N 3.14Å; A322-R326 PolarHBondContact O-NH1 2.83Å; L323-R326 PolarHBondContact O-N 3.32Å; L324-R326 VanDerWaalsContact C-N 3.31Å; L324-R326 PolarHBondContact O-N 2.92Å; R326-I329 PolarHBondContact O-N 3.28Å; R326-L330 HydrophobicContact CG-CD1 3.51Å; R326-L330 HydrophobicContact CG-CG 4Å; R326-L330 VanDerWaalsContact O-CB 3.27Å; R326-L330 WeakPolarHBondContact O-CB 3.37Å; R326-L330 PolarHBondContact O-N 3.1Å
327E96.1Very high95.9Very high39 Ų3928 Ų2818%0.18214%0.139CC..Hα-helixtrans-65-39.5177.5-171.3174155.400112.1Y296 L323 L324 G331 T337 Y363 M367Y296-E327 VanDerWaalsContact CE2-OE2 3.26Å; Y296-E327 WeakPolarHBondContact CE2-OE2 3.39Å; Y296-E327 PolarHBondContact OH-OE2 3.48Å; L323-E327 WeakPolarHBondContact O-CB 3.43Å; L323-E327 PolarHBondContact O-N 2.97Å; L324-E327 PolarHBondContact O-N 3.45Å; E327-G331 WeakPolarHBondContact O-CA 3.21Å; E327-G331 PolarHBondContact O-N 3.37Å; E327-T337 HydrophobicContact CB-CG2 3.98Å; E327-T337 HydrophobicContact CG-CG2 4.1Å; E327-Y363 PolarHBondContact OE1-OH 3.33Å; E327-Y363 PolarHBondContact OE2-OH 3.04Å; E327-M367 VanDerWaalsContact CD-CE 3.43Å; E327-M367 HydrophobicContact CG-CE 4.06Å; E327-M367 WeakPolarHBondContact OE2-CE 3.32Å
328R96.1Very high96Very high65 Ų6525.3 Ų25.325%0.24513%0.127CC..Hα-helixtrans-63.2-46175.4175.7175.454.682.8-3.2112.6D246 E249 P287 E301 L324 I325D246-R328 IonicContact OD1-NH1 3.46Å; D246-R328 PolarHBondContact OD1-NH1 2.95Å; E249-R328 IonicContact OE2-CZ 2.94Å; E249-R328 IonicContact OE2-NH1 2.71Å; E249-R328 PolarHBondContact OE2-NH1 3.37Å; E249-R328 IonicContact OE2-NH2 2.68Å; E249-R328 PolarHBondContact OE2-NH2 3.46Å; P287-R328 HydrophobicContact CG-CG 4.2Å; E301-R328 WeakPolarHBondContact OE1-CD 3.28Å; E301-R328 IonicContact OE1-CZ 2.7Å; E301-R328 IonicContact OE1-NE 3.83Å; E301-R328 PolarHBondContact OE1-NE 3.37Å; E301-R328 IonicContact OE1-NH2 3.57Å; E301-R328 IonicContact OE2-CZ 2.66Å; E301-R328 IonicContact OE2-NE 2.88Å; E301-R328 PolarHBondContact OE2-NE 3.03Å; E301-R328 IonicContact OE2-NH2 3.88Å; E301-R328 PolarHBondContact OE2-NH2 3.27Å; L324-R328 WeakPolarHBondContact O-CB 3.47Å; L324-R328 PolarHBondContact O-N 3.28Å; I325-R328 PolarHBondContact O-N 3.4Å
329I97.1Very high95.9Very high30 Ų3030.7 Ų30.715%0.15415%0.148CC..Hα-helixtrans-84-44.5-170.6-63.9172.4000111.8L219 D246 E249 L250 I325 R326L219-I329 HydrophobicContact CD2-CG2 3.98Å; D246-I329 HydrophobicContact CB-CD1 3.91Å; D246-I329 HydrophobicContact CB-CG1 4.19Å; D246-I329 HydrophobicContact CB-CG2 4.23Å; D246-I329 VanDerWaalsContact O-CD1 3.29Å; D246-I329 WeakPolarHBondContact O-CD1 3.06Å; E249-I329 HydrophobicContact CB-CD1 4.12Å; L250-I329 HydrophobicContact CB-CD1 3.96Å; L250-I329 HydrophobicContact CD2-CG2 4.03Å; I325-I329 HydrophobicContact CG2-CD1 3.63Å; I325-I329 WeakPolarHBondContact O-CB 3.44Å; I325-I329 VanDerWaalsContact O-CG1 3.31Å; I325-I329 WeakPolarHBondContact O-CG1 3.4Å; I325-I329 PolarHBondContact O-N 3.13Å; R326-I329 PolarHBondContact O-N 3.28Å
330L96.9Very high96Very high15 Ų1528 Ų288%0.07914%0.138CC..Hα-helixtrans-89-25-177.6-56.3-172000112.8M215 V223 L250 R326 H334 D336M215-L330 HydrophobicContact CE-CD2 3.61Å; M215-L330 HydrophobicContact SD-CD2 3.52Å; M215-L330 VanDerWaalsContact SD-CD2 3.52Å; V223-L330 HydrophobicContact CG2-CD1 4.08Å; V223-L330 HydrophobicContact CG2-CD2 3.99Å; L250-L330 HydrophobicContact CD1-CD1 4.28Å; L250-L330 HydrophobicContact CD1-CD2 4.33Å; L250-L330 HydrophobicContact CD1-CG 4.13Å; L250-L330 HydrophobicContact CD2-CD2 3.7Å; L250-L330 HydrophobicContact CD2-CG 4.39Å; R326-L330 HydrophobicContact CG-CD1 3.51Å; R326-L330 HydrophobicContact CG-CG 4Å; R326-L330 VanDerWaalsContact O-CB 3.27Å; R326-L330 WeakPolarHBondContact O-CB 3.37Å; R326-L330 PolarHBondContact O-N 3.1Å; L330-H334 HydrophobicContact CB-CB 3.74Å; L330-H334 WeakPolarHBondContact O-CB 3.28Å; L330-D336 HydrophobicContact CD1-CB 4.07Å
331G94.9Very high96Very high17 Ų1728 Ų2818%0.17514%0.138CC..  trans74.6174.5-173.500000113.9E327 Q333 T337E327-G331 WeakPolarHBondContact O-CA 3.21Å; E327-G331 PolarHBondContact O-N 3.37Å; G331-Q333 VanDerWaalsContact C-N 3.34Å; G331-Q333 PolarHBondContact O-N 2.88Å; G331-T337 WeakPolarHBondContact O-CB 3.42Å; G331-T337 PolarHBondContact O-OG1 3.09Å
332P92.9Very high96Very high41 Ų4129.5 Ų29.527%0.26614%0.143SC..THydrogen-bonded Turntrans-77.3-16.2-174.630.4-36.9000114.5M367 N371P332-M367 HydrophobicContact CB-CE 4.46Å; P332-M367 HydrophobicContact CB-CG 3.35Å; P332-M367 HydrophobicContact CB-SD 3.74Å; P332-N371 HydrophobicContact CB-CB 4.39Å; P332-N371 HydrophobicContact CG-CB 4.43Å; P332-N371 WeakPolarHBondContact CG-OD1 3.4Å
333Q91.2Very high95.8Very high125 Ų12532 Ų3258%0.58415%0.153SC*.THydrogen-bonded Turntrans-82.7-25.2-179.6-68.4175.920.500112.6G331 N371G331-Q333 VanDerWaalsContact C-N 3.34Å; G331-Q333 PolarHBondContact O-N 2.88Å; Q333-N371 HydrophobicContact CG-CB 3.9Å
334H94.9Very high95.8Very high15 Ų1532.4 Ų32.47%0.06916%0.155CC..SBendtrans-69.9134.2-179-171.1-72000110.6L330 D336 T337L330-H334 HydrophobicContact CB-CB 3.74Å; L330-H334 WeakPolarHBondContact O-CB 3.28Å; H334-D336 VanDerWaalsContact C-N 3.34Å; H334-D336 IonicContact CE1-OD1 2.79Å; H334-D336 WeakPolarHBondContact ND1-CB 3.43Å; H334-D336 PolarHBondContact ND1-N 3.41Å; H334-D336 VanDerWaalsContact ND1-N 3.11Å; H334-D336 PolarHBondContact O-N 3.04Å; H334-T337 PolarHBondContact O-N 3.36Å
335P93.1Very high95.7Very high37 Ų3731.4 Ų31.424%0.2415%0.149CC..Hα-helixtrans-57.8-42.2-174.520-32.2000114.3T337 S338 Y339 M378P335-T337 VanDerWaalsContact C-N 3.27Å; P335-T337 PolarHBondContact O-N 2.94Å; P335-S338 PolarHBondContact O-N 3.43Å; P335-S338 PolarHBondContact O-OG 2.88Å; P335-Y339 WeakPolarHBondContact O-CB 3.47Å; P335-Y339 PolarHBondContact O-N 3.13Å; P335-M378 HydrophobicContact CB-CE 3.95Å; P335-M378 HydrophobicContact CB-SD 3.93Å
336D94.9Very high95.5Very high37 Ų3732.8 Ų32.820%0.19816%0.161CC..Hα-helixtrans-61.4-30-178.4-77.536.7000114.1V223 L330 H334 Y339 Y340V223-D336 WeakPolarHBondContact CG1-OD2 3.28Å; L330-D336 HydrophobicContact CD1-CB 4.07Å; H334-D336 VanDerWaalsContact C-N 3.34Å; H334-D336 IonicContact CE1-OD1 2.79Å; H334-D336 WeakPolarHBondContact ND1-CB 3.43Å; H334-D336 PolarHBondContact ND1-N 3.41Å; H334-D336 VanDerWaalsContact ND1-N 3.11Å; H334-D336 PolarHBondContact O-N 3.04Å; D336-Y339 PolarHBondContact O-N 3.27Å; D336-Y340 HydrophobicContact CB-CD2 4.03Å; D336-Y340 HydrophobicContact CB-CE2 4.06Å; D336-Y340 VanDerWaalsContact O-CD2 3.22Å; D336-Y340 WeakPolarHBondContact O-CD2 3.29Å; D336-Y340 PolarHBondContact O-N 2.95Å; D336-Y340 WeakPolarHBondContact OD2-CE2 3.42Å
337T96.3Very high95.3Very high3 Ų334.1 Ų34.12%0.01817%0.169CC..Hα-helixtrans-59.8-58.8178.4-53.30000109.8E327 G331 H334 P335 Y339 Y340 I341 M367E327-T337 HydrophobicContact CB-CG2 3.98Å; E327-T337 HydrophobicContact CG-CG2 4.1Å; G331-T337 WeakPolarHBondContact O-CB 3.42Å; G331-T337 PolarHBondContact O-OG1 3.09Å; H334-T337 PolarHBondContact O-N 3.36Å; P335-T337 VanDerWaalsContact C-N 3.27Å; P335-T337 PolarHBondContact O-N 2.94Å; T337-Y339 VanDerWaalsContact C-N 3.3Å; T337-Y339 PolarHBondContact O-N 2.97Å; T337-Y340 PolarHBondContact O-N 3.23Å; T337-I341 HydrophobicContact CG2-CD1 4.25Å; T337-I341 WeakPolarHBondContact O-CD1 2.96Å; T337-I341 VanDerWaalsContact O-CG1 3.25Å; T337-I341 WeakPolarHBondContact O-CG1 2.76Å; T337-I341 PolarHBondContact O-N 3.43Å; T337-M367 HydrophobicContact CG2-CE 4.15Å; T337-M367 HydrophobicContact CG2-SD 3.78Å
338S95.6Very high95.1Very high1 Ų132.8 Ų32.81%0.00716%0.163CC..Hα-helixtrans-64.8-33.5177.874.70000112.9P335 R342 Q368 M378P335-S338 PolarHBondContact O-N 3.43Å; P335-S338 PolarHBondContact O-OG 2.88Å; S338-R342 WeakPolarHBondContact O-CG 3.39Å; S338-R342 PolarHBondContact O-N 3.47Å; S338-R342 VanDerWaalsContact O-N 3.09Å; S338-R342 PolarHBondContact O-NH1 3.05Å; S338-R342 PolarHBondContact OG-NH1 3.44Å; S338-Q368 PolarHBondContact OG-NE2 3.21Å; S338-M378 VanDerWaalsContact OG-CE 3.26Å; S338-M378 WeakPolarHBondContact OG-CE 3.4Å
339Y95.8Very high94.9Very high118 Ų11830.2 Ų30.246%0.46316%0.156SC..Hα-helixtrans-63.5-49.3178.6173.8-93.6000111.6P335 D336 T337 R342 Y343P335-Y339 WeakPolarHBondContact O-CB 3.47Å; P335-Y339 PolarHBondContact O-N 3.13Å; D336-Y339 PolarHBondContact O-N 3.27Å; T337-Y339 VanDerWaalsContact C-N 3.3Å; T337-Y339 PolarHBondContact O-N 2.97Å; Y339-R342 PolarHBondContact O-N 3.46Å; Y339-Y343 WeakPolarHBondContact O-CB 3.46Å; Y339-Y343 PolarHBondContact O-N 3.24Å
340Y97Very high94.5Very high14 Ų1435.7 Ų35.76%0.05519%0.185CC..Hα-helixtrans-71.9-30.4-177.7-77.7-65.9000112.9D257 K258 D336 T337 R342 Y343 R344D257-Y340 HydrophobicContact CB-CD1 3.41Å; D257-Y340 VanDerWaalsContact CB-CD1 3.41Å; D257-Y340 HydrophobicContact CB-CE1 3.61Å; D257-Y340 HydrophobicContact CB-CG 4.2Å; K258-Y340 HydrophobicContact CB-CE1 4.41Å; D336-Y340 HydrophobicContact CB-CD2 4.03Å; D336-Y340 HydrophobicContact CB-CE2 4.06Å; D336-Y340 VanDerWaalsContact O-CD2 3.22Å; D336-Y340 WeakPolarHBondContact O-CD2 3.29Å; D336-Y340 PolarHBondContact O-N 2.95Å; D336-Y340 WeakPolarHBondContact OD2-CE2 3.42Å; T337-Y340 PolarHBondContact O-N 3.23Å; Y340-R342 VanDerWaalsContact C-N 3.35Å; Y340-Y343 HydrophobicContact CD1-CD1 4.21Å; Y340-Y343 PolarHBondContact O-N 2.99Å; Y340-R344 VanDerWaalsContact O-CB 3.3Å; Y340-R344 WeakPolarHBondContact O-CB 3.44Å; Y340-R344 PolarHBondContact O-N 3.32Å
341I97.4Very high94.1Very high1 Ų139.6 Ų39.61%0.00521%0.213CC..Hα-helixtrans-60.3-47.4168.8-61.9163000109.9Y296 L323 T337 R344 G345 L360 Y363 A364 M367Y296-I341 HydrophobicContact CE1-CG1 4.27Å; Y296-I341 WeakPolarHBondContact OH-CD1 3Å; Y296-I341 WeakPolarHBondContact OH-CG1 3.34Å; L323-I341 HydrophobicContact CD2-CG1 4.1Å; T337-I341 HydrophobicContact CG2-CD1 4.25Å; T337-I341 WeakPolarHBondContact O-CD1 2.96Å; T337-I341 VanDerWaalsContact O-CG1 3.25Å; T337-I341 WeakPolarHBondContact O-CG1 2.76Å; T337-I341 PolarHBondContact O-N 3.43Å; I341-R344 PolarHBondContact O-N 3.37Å; I341-G345 PolarHBondContact O-N 3.47Å; I341-L360 HydrophobicContact CG2-CB 4Å; I341-L360 HydrophobicContact CG2-CD2 3.97Å; I341-L360 WeakPolarHBondContact CG2-O 3.44Å; I341-Y363 HydrophobicContact CD1-CD1 4.25Å; I341-Y363 HydrophobicContact CD1-CE1 4.27Å; I341-A364 HydrophobicContact CB-CB 4.1Å; I341-A364 HydrophobicContact CG2-CB 3.8Å; I341-M367 HydrophobicContact CD1-CE 3.71Å; I341-M367 HydrophobicContact CD1-SD 4.16Å
342R96.6Very high93.7Very high32 Ų3240.6 Ų40.612%0.12122%0.224CC..Hα-helixtrans-65.2-44.5177.1-70.9-162.5-51.6-77.3-0.9112.6S338 Y339 Y340 R344 G345 A346 W361 A364 S382S338-R342 WeakPolarHBondContact O-CG 3.39Å; S338-R342 PolarHBondContact O-N 3.47Å; S338-R342 VanDerWaalsContact O-N 3.09Å; S338-R342 PolarHBondContact O-NH1 3.05Å; S338-R342 PolarHBondContact OG-NH1 3.44Å; Y339-R342 PolarHBondContact O-N 3.46Å; Y340-R342 VanDerWaalsContact C-N 3.35Å; R342-R344 VanDerWaalsContact C-N 3.3Å; R342-R344 PolarHBondContact O-N 2.91Å; R342-G345 WeakPolarHBondContact O-CA 3.38Å; R342-G345 PolarHBondContact O-N 3.41Å; R342-G345 VanDerWaalsContact O-N 3.14Å; R342-A346 PolarHBondContact O-N 3.23Å; R342-W361 HydrophobicContact CG-CG 4.28Å; R342-W361 PolarHBondContact O-NE1 3.37Å; R342-A364 HydrophobicContact CG-CB 3.99Å; R342-S382 WeakPolarHBondContact CD-OG 3.35Å; R342-S382 PolarHBondContact NH1-OG 2.93Å; R342-S382 VanDerWaalsContact NH1-OG 3.09Å
343Y95.4Very high93.5Very high54 Ų5441.8 Ų41.821%0.21223%0.228CC..Hα-helixtrans-58.1-44.1176.5170.1-98.7000111.3D257 R260 Y339 Y340 G345 A346 V347D257-Y343 VanDerWaalsContact O-CE1 3.25Å; D257-Y343 WeakPolarHBondContact O-CE1 3.41Å; D257-Y343 PolarHBondContact O-OH 2.75Å; R260-Y343 PolarHBondContact NE-OH 3.05Å; R260-Y343 VanDerWaalsContact NE-OH 3.16Å; R260-Y343 PolarHBondContact NH2-OH 3.44Å; Y339-Y343 WeakPolarHBondContact O-CB 3.46Å; Y339-Y343 PolarHBondContact O-N 3.24Å; Y340-Y343 HydrophobicContact CD1-CD1 4.21Å; Y340-Y343 PolarHBondContact O-N 2.99Å; Y343-G345 VanDerWaalsContact C-N 3.33Å; Y343-G345 PolarHBondContact O-N 3.44Å; Y343-A346 WeakPolarHBondContact O-CB 3.37Å; Y343-A346 PolarHBondContact O-N 3.26Å; Y343-A346 VanDerWaalsContact O-N 3.14Å; Y343-V347 HydrophobicContact CD1-CG2 4.48Å; Y343-V347 HydrophobicContact CE1-CG2 4.07Å; Y343-V347 HydrophobicContact CE2-CG2 4.33Å; Y343-V347 WeakPolarHBondContact O-CG2 3.47Å; Y343-V347 PolarHBondContact O-N 2.57Å
344R96.4Very high93.5Very high11 Ų1136.3 Ų36.34%0.04220%0.202CC..Hα-helixtrans-61.4-42.9175.5-177.156.758.5-163.31.5111.6D257 R319 M320 L323 Y340 I341 R342 A346 V347 Y348 L360D257-R344 IonicContact OD1-CZ 2.93Å; D257-R344 IonicContact OD1-NE 3.8Å; D257-R344 IonicContact OD1-NH2 3.83Å; D257-R344 PolarHBondContact OD1-NH2 3.25Å; R319-R344 VanDerWaalsContact CD-NH1 3.33Å; R319-R344 VanDerWaalsContact CG-CZ 3.45Å; M320-R344 HydrophobicContact CE-CG 4.31Å; L323-R344 HydrophobicContact CD1-CB 4.44Å; L323-R344 HydrophobicContact CD1-CG 4.24Å; Y340-R344 VanDerWaalsContact O-CB 3.3Å; Y340-R344 WeakPolarHBondContact O-CB 3.44Å; Y340-R344 PolarHBondContact O-N 3.32Å; I341-R344 PolarHBondContact O-N 3.37Å; R342-R344 VanDerWaalsContact C-N 3.3Å; R342-R344 PolarHBondContact O-N 2.91Å; R344-A346 VanDerWaalsContact C-N 3.32Å; R344-A346 PolarHBondContact O-N 3.17Å; R344-V347 PolarHBondContact O-N 2.04Å; R344-Y348 HydrophobicContact CG-CD2 4.1Å; R344-Y348 HydrophobicContact CG-CE2 3.65Å; R344-Y348 VanDerWaalsContact O-CD2 3.28Å; R344-Y348 WeakPolarHBondContact O-CD2 3.5Å; R344-Y348 PolarHBondContact O-N 3.21Å; R344-Y348 VanDerWaalsContact O-N 3.11Å; R344-L360 HydrophobicContact CB-CD1 4.39Å; R344-L360 HydrophobicContact CG-CD1 4Å
345G95.5Very high93.3Very high0 Ų042.5 Ų42.50%023%0.231CC..Hα-helixtrans-57.8-42.9172.600000112.6I341 R342 Y343 V347 Y348 A349 C357I341-G345 PolarHBondContact O-N 3.47Å; R342-G345 WeakPolarHBondContact O-CA 3.38Å; R342-G345 PolarHBondContact O-N 3.41Å; R342-G345 VanDerWaalsContact O-N 3.14Å; Y343-G345 VanDerWaalsContact C-N 3.33Å; Y343-G345 PolarHBondContact O-N 3.44Å; G345-V347 PolarHBondContact O-N 3.38Å; G345-Y348 PolarHBondContact O-N 3.01Å; G345-A349 PolarHBondContact O-N 3.48Å; G345-C357 WeakPolarHBondContact O-CB 3.49Å; G345-C357 PolarHBondContact O-SG 2.96Å
346A93.6Very high93.2Very high32 Ų3242.4 Ų42.426%0.26423%0.226SC..Hα-helixtrans-62.1-42.1176.700000112.1R342 Y343 R344 Y348 A349 D350 W361R342-A346 PolarHBondContact O-N 3.23Å; Y343-A346 WeakPolarHBondContact O-CB 3.37Å; Y343-A346 PolarHBondContact O-N 3.26Å; Y343-A346 VanDerWaalsContact O-N 3.14Å; R344-A346 VanDerWaalsContact C-N 3.32Å; R344-A346 PolarHBondContact O-N 3.17Å; A346-Y348 VanDerWaalsContact C-N 3.28Å; A346-Y348 PolarHBondContact O-N 2.73Å; A346-A349 WeakPolarHBondContact O-CB 3.42Å; A346-A349 PolarHBondContact O-N 3.42Å; A346-A349 VanDerWaalsContact O-N 3.09Å; A346-D350 PolarHBondContact O-N 3.44Å; A346-W361 HydrophobicContact CB-CZ2 4.28Å
347V93.2Very high93.2Very high29 Ų2940.6 Ų40.618%0.17622%0.217CC..Hα-helixtrans-60.4-37.1175.3173.80000111.9Y343 R344 G345 S351Y343-V347 HydrophobicContact CD1-CG2 4.48Å; Y343-V347 HydrophobicContact CE1-CG2 4.07Å; Y343-V347 HydrophobicContact CE2-CG2 4.33Å; Y343-V347 WeakPolarHBondContact O-CG2 3.47Å; Y343-V347 PolarHBondContact O-N 2.57Å; R344-V347 PolarHBondContact O-N 2.04Å; G345-V347 PolarHBondContact O-N 3.38Å; V347-S351 PolarHBondContact O-N 2.93Å; V347-S351 PolarHBondContact O-OG 3.17Å
348Y93Very high93.1Very high12 Ų1240.9 Ų40.95%0.04722%0.218CC..Hα-helixtrans-68.9-39.5173.6-75.4-57.1000112.4D316 M320 R344 G345 A346 S351 G352 N353 R356 L360D316-Y348 PolarHBondContact OD1-OH 3.07Å; M320-Y348 HydrophobicContact CE-CE2 4.38Å; R344-Y348 HydrophobicContact CG-CD2 4.1Å; R344-Y348 HydrophobicContact CG-CE2 3.65Å; R344-Y348 VanDerWaalsContact O-CD2 3.28Å; R344-Y348 WeakPolarHBondContact O-CD2 3.5Å; R344-Y348 PolarHBondContact O-N 3.21Å; R344-Y348 VanDerWaalsContact O-N 3.11Å; G345-Y348 PolarHBondContact O-N 3.01Å; A346-Y348 VanDerWaalsContact C-N 3.28Å; A346-Y348 PolarHBondContact O-N 2.73Å; Y348-S351 CarbonylContact O-C 3.46Å; Y348-S351 WeakPolarHBondContact O-CA 3.5Å; Y348-S351 WeakPolarHBondContact O-CB 3.33Å; Y348-S351 PolarHBondContact O-N 3.36Å; Y348-S351 VanDerWaalsContact O-N 3.11Å; Y348-G352 PolarHBondContact O-N 3.29Å; Y348-N353 CarbonylContact C-O 3.51Å; Y348-N353 WeakPolarHBondContact O-CA 3.33Å; Y348-N353 PolarHBondContact O-N 3.47Å; Y348-R356 HydrophobicContact CD2-CB 4.35Å; Y348-R356 HydrophobicContact CD2-CG 3.81Å; Y348-R356 VanDerWaalsContact CE1-NH1 3.28Å; Y348-R356 HydrophobicContact CE2-CG 4.05Å; Y348-R356 HydrophobicContact CG-CB 4.27Å; Y348-R356 HydrophobicContact CG-CG 4.15Å; Y348-R356 VanDerWaalsContact CZ-NH1 3.27Å; Y348-R356 PolarHBondContact OH-NH1 3.01Å; Y348-R356 PolarHBondContact OH-NH2 3.26Å; Y348-L360 HydrophobicContact CD2-CD1 3.7Å; Y348-L360 HydrophobicContact CE2-CD1 3.91Å
349A91Very high93Very high11 Ų1143.3 Ų43.39%0.09123%0.23CC..Hα-helixtrans-62.8-41.6174.800000112.3G345 A346 S351 G352 F354 C357 L389G345-A349 PolarHBondContact O-N 3.48Å; A346-A349 WeakPolarHBondContact O-CB 3.42Å; A346-A349 PolarHBondContact O-N 3.42Å; A346-A349 VanDerWaalsContact O-N 3.09Å; A349-S351 PolarHBondContact O-N 3.49Å; A349-G352 WeakPolarHBondContact O-CA 3.47Å; A349-G352 PolarHBondContact O-N 3.2Å; A349-F354 HydrophobicContact CB-CD1 4Å; A349-F354 HydrophobicContact CB-CE1 4.06Å; A349-C357 HydrophobicContact CB-CB 3.89Å; A349-L389 HydrophobicContact CB-CD1 4.44Å
350D88.6Confident93.1Very high144 Ų14437.7 Ų37.777%0.7721%0.208SC*.Hα-helixtrans-59.9-26.5174.3-70-16.1000112.2A346 G352A346-D350 PolarHBondContact O-N 3.44Å; D350-G352 VanDerWaalsContact C-N 3.33Å
351S88.7Confident93.1Very high97 Ų9738 Ų3868%0.67821%0.21SC*.THydrogen-bonded Turntrans-89.74.2175.6-50.60000113.2V347 Y348 A349V347-S351 PolarHBondContact O-N 2.93Å; V347-S351 PolarHBondContact O-OG 3.17Å; Y348-S351 CarbonylContact O-C 3.46Å; Y348-S351 WeakPolarHBondContact O-CA 3.5Å; Y348-S351 WeakPolarHBondContact O-CB 3.33Å; Y348-S351 PolarHBondContact O-N 3.36Å; Y348-S351 VanDerWaalsContact O-N 3.11Å; A349-S351 PolarHBondContact O-N 3.49Å
352G86.9Confident93Very high38 Ų3840.4 Ų40.439%0.39222%0.22SC..THydrogen-bonded Turntrans85.8-1.8-178.300000115.5Y348 A349 D350 F354Y348-G352 PolarHBondContact O-N 3.29Å; A349-G352 WeakPolarHBondContact O-CA 3.47Å; A349-G352 PolarHBondContact O-N 3.2Å; D350-G352 VanDerWaalsContact C-N 3.33Å; G352-F354 VanDerWaalsContact O-CD2 3.28Å; G352-F354 WeakPolarHBondContact O-CD2 3.44Å; G352-F354 PolarHBondContact O-N 3.12Å
353N89.4Confident93Very high66 Ų6641.2 Ų41.235%0.35322%0.223SC..  trans-90.475.2178.6-168.5-17.4000111.3Y348 R356 C357Y348-N353 CarbonylContact C-O 3.51Å; Y348-N353 WeakPolarHBondContact O-CA 3.33Å; Y348-N353 PolarHBondContact O-N 3.47Å; N353-R356 WeakPolarHBondContact OD1-CB 3.33Å; N353-R356 PolarHBondContact OD1-N 3.44Å; N353-R356 VanDerWaalsContact OD1-N 3.08Å; N353-C357 PolarHBondContact O-N 3.01Å
354F89.8Confident93.1Very high10 Ų1038.6 Ų38.64%0.04421%0.213CC..Hα-helixtrans-68.7-31179.9-64.1-81.6000113.4A349 G352 C357 I358 L389 M393 L402 T404A349-F354 HydrophobicContact CB-CD1 4Å; A349-F354 HydrophobicContact CB-CE1 4.06Å; G352-F354 VanDerWaalsContact O-CD2 3.28Å; G352-F354 WeakPolarHBondContact O-CD2 3.44Å; G352-F354 PolarHBondContact O-N 3.12Å; F354-C357 WeakPolarHBondContact O-CB 3.42Å; F354-C357 PolarHBondContact O-N 3.36Å; F354-I358 VanDerWaalsContact O-CG1 3.26Å; F354-I358 WeakPolarHBondContact O-CG1 3.05Å; F354-I358 PolarHBondContact O-N 3.17Å; F354-L389 HydrophobicContact CD1-CD1 4.15Å; F354-L389 HydrophobicContact CE1-CD1 4.19Å; F354-M393 HydrophobicContact CB-CE 3.7Å; F354-M393 HydrophobicContact CB-SD 4.2Å; F354-M393 HydrophobicContact CD1-CE 3.94Å; F354-M393 HydrophobicContact CD1-CG 3.81Å; F354-M393 HydrophobicContact CD1-SD 3.59Å; F354-M393 VanDerWaalsContact CD1-SD 3.59Å; F354-M393 HydrophobicContact CD2-CE 4.32Å; F354-M393 HydrophobicContact CE1-CG 3.79Å; F354-M393 HydrophobicContact CE1-SD 4.21Å; F354-M393 HydrophobicContact CG-CE 3.72Å; F354-M393 HydrophobicContact CG-CG 4.46Å; F354-M393 HydrophobicContact CG-SD 4.01Å; F354-M393 HydrophobicContact CZ-CG 4.41Å; F354-L402 HydrophobicContact CE2-CD1 4.32Å; F354-L402 HydrophobicContact CE2-CD2 3.78Å; F354-L402 HydrophobicContact CZ-CD1 4.2Å; F354-L402 HydrophobicContact CZ-CD2 4.21Å; F354-T404 HydrophobicContact CD2-CG2 4.44Å; F354-T404 WeakPolarHBondContact CD2-OG1 3.48Å
355E90.3Very high93.1Very high145 Ų14538.1 Ų38.168%0.67821%0.211SC*.Hα-helixtrans-61.2-48.7178.5-175.2-179.6177.300110.9C357 I358 N359E355-C357 VanDerWaalsContact C-N 3.31Å; E355-C357 PolarHBondContact O-N 3.32Å; E355-I358 PolarHBondContact O-N 3.03Å; E355-N359 PolarHBondContact O-N 3.21Å; E355-N359 PolarHBondContact O-ND2 3.23Å
356R92.3Very high93.1Very high35 Ų3542 Ų4213%0.13223%0.23CC..Hα-helixtrans-64.1-37.1176.8-160.8168-169.6-172.9-1.1112D297 D316 Y348 N353 L360D297-R356 IonicContact OD2-CZ 3.55Å; D297-R356 IonicContact OD2-NE 3.59Å; D297-R356 PolarHBondContact OD2-NE 3.35Å; D297-R356 IonicContact OD2-NH2 2.69Å; D297-R356 PolarHBondContact OD2-NH2 3.11Å; D316-R356 IonicContact OD1-NH1 3.48Å; D316-R356 IonicContact OD2-CZ 2.71Å; D316-R356 IonicContact OD2-NH1 3.6Å; D316-R356 PolarHBondContact OD2-NH1 2.94Å; Y348-R356 HydrophobicContact CD2-CB 4.35Å; Y348-R356 HydrophobicContact CD2-CG 3.81Å; Y348-R356 VanDerWaalsContact CE1-NH1 3.28Å; Y348-R356 HydrophobicContact CE2-CG 4.05Å; Y348-R356 HydrophobicContact CG-CB 4.27Å; Y348-R356 HydrophobicContact CG-CG 4.15Å; Y348-R356 VanDerWaalsContact CZ-NH1 3.27Å; Y348-R356 PolarHBondContact OH-NH1 3.01Å; Y348-R356 PolarHBondContact OH-NH2 3.26Å; N353-R356 WeakPolarHBondContact OD1-CB 3.33Å; N353-R356 PolarHBondContact OD1-N 3.44Å; N353-R356 VanDerWaalsContact OD1-N 3.08Å; R356-L360 HydrophobicContact CG-CD1 4.33Å; R356-L360 WeakPolarHBondContact O-CB 3.46Å; R356-L360 WeakPolarHBondContact O-CG 3.45Å; R356-L360 PolarHBondContact O-N 2.99Å
357C94.6Very high93.2Very high0 Ų040.9 Ų40.90%022%0.219CC..Hα-helixtrans-57.6-53.1172.6-178.50000111.8G345 A349 N353 F354 E355 N359 L360 W361G345-C357 WeakPolarHBondContact O-CB 3.49Å; G345-C357 PolarHBondContact O-SG 2.96Å; A349-C357 HydrophobicContact CB-CB 3.89Å; N353-C357 PolarHBondContact O-N 3.01Å; F354-C357 WeakPolarHBondContact O-CB 3.42Å; F354-C357 PolarHBondContact O-N 3.36Å; E355-C357 VanDerWaalsContact C-N 3.31Å; E355-C357 PolarHBondContact O-N 3.32Å; C357-N359 VanDerWaalsContact C-N 3.34Å; C357-N359 PolarHBondContact O-N 3.03Å; C357-L360 PolarHBondContact O-N 2.83Å; C357-W361 WeakPolarHBondContact O-CB 3.47Å; C357-W361 PolarHBondContact O-N 3.44Å
358I93.6Very high93.3Very high9 Ų939.5 Ų39.55%0.04621%0.211CC..Hα-helixtrans-61.2-43.1-178.4-69.3164.9000110.5F354 E355 W361 K362 L389 F390F354-I358 VanDerWaalsContact O-CG1 3.26Å; F354-I358 WeakPolarHBondContact O-CG1 3.05Å; F354-I358 PolarHBondContact O-N 3.17Å; E355-I358 PolarHBondContact O-N 3.03Å; I358-W361 PolarHBondContact O-N 3.32Å; I358-K362 HydrophobicContact CG2-CD 3.89Å; I358-K362 VanDerWaalsContact CG2-CE 3.45Å; I358-K362 HydrophobicContact CG2-CG 4.23Å; I358-K362 VanDerWaalsContact O-CB 3.31Å; I358-K362 WeakPolarHBondContact O-CB 3.37Å; I358-K362 VanDerWaalsContact O-CG 3.28Å; I358-K362 WeakPolarHBondContact O-CG 3.21Å; I358-K362 PolarHBondContact O-N 3.02Å; I358-L389 HydrophobicContact CG1-CD2 4.47Å; I358-F390 HydrophobicContact CD1-CE1 4.02Å; I358-F390 HydrophobicContact CG1-CE1 4.23Å
359N94.6Very high93.4Very high51 Ų5139.4 Ų39.427%0.27321%0.211SC..Hα-helixtrans-63.3-46.4179-72.2-21.5000112.5E355 C357 K362 Y363E355-N359 PolarHBondContact O-N 3.21Å; E355-N359 PolarHBondContact O-ND2 3.23Å; C357-N359 VanDerWaalsContact C-N 3.34Å; C357-N359 PolarHBondContact O-N 3.03Å; N359-K362 PolarHBondContact O-N 2.95Å; N359-Y363 PolarHBondContact O-N 3.06Å
360L97.1Very high93.5Very high0 Ų045.2 Ų45.20%024%0.24CC..Hα-helixtrans-61.6-45.1175.3-76.6165.5000111.7A295 Y296 L323 I341 R344 Y348 R356 C357 Y363 A364A295-L360 HydrophobicContact CB-CD2 4.34Å; A295-L360 VanDerWaalsContact O-CD2 3.23Å; A295-L360 WeakPolarHBondContact O-CD2 3.04Å; Y296-L360 HydrophobicContact CD1-CD2 3.92Å; Y296-L360 HydrophobicContact CE1-CD2 4Å; L323-L360 HydrophobicContact CD1-CD2 3.94Å; I341-L360 HydrophobicContact CG2-CB 4Å; I341-L360 HydrophobicContact CG2-CD2 3.97Å; I341-L360 WeakPolarHBondContact CG2-O 3.44Å; R344-L360 HydrophobicContact CB-CD1 4.39Å; R344-L360 HydrophobicContact CG-CD1 4Å; Y348-L360 HydrophobicContact CD2-CD1 3.7Å; Y348-L360 HydrophobicContact CE2-CD1 3.91Å; R356-L360 HydrophobicContact CG-CD1 4.33Å; R356-L360 WeakPolarHBondContact O-CB 3.46Å; R356-L360 WeakPolarHBondContact O-CG 3.45Å; R356-L360 PolarHBondContact O-N 2.99Å; C357-L360 PolarHBondContact O-N 2.83Å; L360-Y363 PolarHBondContact O-N 3.43Å; L360-A364 PolarHBondContact O-N 3.35Å
361W97.4Very high93.7Very high22 Ų2241.2 Ų41.28%0.08322%0.219CC..Hα-helixtrans-68.5-36.2-180-73.420.8000112.4R342 A346 C357 I358 Y363 A364 L365 S385 F386 L389R342-W361 HydrophobicContact CG-CG 4.28Å; R342-W361 PolarHBondContact O-NE1 3.37Å; A346-W361 HydrophobicContact CB-CZ2 4.28Å; C357-W361 WeakPolarHBondContact O-CB 3.47Å; C357-W361 PolarHBondContact O-N 3.44Å; I358-W361 PolarHBondContact O-N 3.32Å; W361-Y363 VanDerWaalsContact C-N 3.34Å; W361-A364 PolarHBondContact O-N 3.47Å; W361-L365 WeakPolarHBondContact O-CB 3.45Å; W361-L365 PolarHBondContact O-N 3.47Å; W361-S385 VanDerWaalsContact CZ3-C 3.46Å; W361-S385 WeakPolarHBondContact CZ3-O 3.37Å; W361-F386 VanDerWaalsContact C-CZ 3.5Å; W361-F386 HydrophobicContact CB-CE1 3.75Å; W361-F386 HydrophobicContact CB-CE2 3.71Å; W361-F386 HydrophobicContact CB-CZ 3.2Å; W361-F386 AromaticContact CE3-CD1 3.86Å; W361-F386 HydrophobicContact CE3-CD1 3.86Å; W361-F386 HydrophobicContact CE3-CD2 4.25Å; W361-F386 AromaticContact CE3-CE1 3.98Å; W361-F386 HydrophobicContact CE3-CE1 3.98Å; W361-F386 HydrophobicContact CE3-CE2 4.36Å; W361-F386 HydrophobicContact CE3-CG 4.02Å; W361-F386 HydrophobicContact CE3-CZ 4.26Å; W361-F386 HydrophobicContact CG-CZ 4.33Å; W361-L389 HydrophobicContact CE3-CD2 4.01Å; W361-L389 HydrophobicContact CH2-CB 4.18Å; W361-L389 HydrophobicContact CH2-CD2 4.11Å; W361-L389 HydrophobicContact CZ3-CB 3.8Å; W361-L389 HydrophobicContact CZ3-CD2 3.67Å; W361-L389 HydrophobicContact CZ3-CG 4.34Å
362K96Very high93.8Very high50 Ų5038 Ų3822%0.21719%0.193CC..Hα-helixtrans-62.3-45.3175.4-82177.3-179.2170.40109.8I358 N359 L365 E366 F386 D410 I414I358-K362 HydrophobicContact CG2-CD 3.89Å; I358-K362 VanDerWaalsContact CG2-CE 3.45Å; I358-K362 HydrophobicContact CG2-CG 4.23Å; I358-K362 VanDerWaalsContact O-CB 3.31Å; I358-K362 WeakPolarHBondContact O-CB 3.37Å; I358-K362 VanDerWaalsContact O-CG 3.28Å; I358-K362 WeakPolarHBondContact O-CG 3.21Å; I358-K362 PolarHBondContact O-N 3.02Å; N359-K362 PolarHBondContact O-N 2.95Å; K362-L365 PolarHBondContact O-N 3.43Å; K362-E366 WeakPolarHBondContact O-CG 3.4Å; K362-E366 PolarHBondContact O-N 3.08Å; K362-F386 HydrophobicContact CG-CZ 4.09Å; K362-D410 IonicContact NZ-OD1 3.75Å; K362-D410 PolarHBondContact NZ-OD1 3.23Å; K362-I414 HydrophobicContact CG-CD1 4.23Å
363Y96.7Very high93.9Very high49 Ų4941.7 Ų41.719%0.19221%0.205CC..Hα-helixtrans-61.6-45.8175.5-178.2-108000112.4I293 A295 Y296 E327 I341 N359 L360 W361 L365 E366 M367I293-Y363 HydrophobicContact CD1-CE1 4.31Å; I293-Y363 WeakPolarHBondContact CD1-OH 3.48Å; I293-Y363 HydrophobicContact CG1-CE2 4.33Å; I293-Y363 HydrophobicContact CG2-CD1 4.15Å; I293-Y363 HydrophobicContact CG2-CD2 3.93Å; I293-Y363 HydrophobicContact CG2-CE1 3.91Å; I293-Y363 HydrophobicContact CG2-CE2 3.67Å; I293-Y363 HydrophobicContact CG2-CG 4.16Å; A295-Y363 HydrophobicContact CB-CD1 4.37Å; A295-Y363 HydrophobicContact CB-CG 3.96Å; Y296-Y363 HydrophobicContact CE1-CD1 4.1Å; Y296-Y363 HydrophobicContact CE1-CE1 4.15Å; Y296-Y363 HydrophobicContact CE2-CE1 4.2Å; Y296-Y363 AromaticContact CZ-CE1 3.66Å; Y296-Y363 WeakPolarHBondContact OH-CE1 3.35Å; E327-Y363 PolarHBondContact OE1-OH 3.33Å; E327-Y363 PolarHBondContact OE2-OH 3.04Å; I341-Y363 HydrophobicContact CD1-CD1 4.25Å; I341-Y363 HydrophobicContact CD1-CE1 4.27Å; N359-Y363 PolarHBondContact O-N 3.06Å; L360-Y363 PolarHBondContact O-N 3.43Å; W361-Y363 VanDerWaalsContact C-N 3.34Å; Y363-L365 VanDerWaalsContact C-N 3.32Å; Y363-L365 PolarHBondContact O-N 3.4Å; Y363-E366 PolarHBondContact O-N 3.18Å; Y363-M367 HydrophobicContact CD1-CE 4.32Å; Y363-M367 HydrophobicContact CE1-CE 3.49Å; Y363-M367 VanDerWaalsContact CE1-CE 3.49Å; Y363-M367 WeakPolarHBondContact O-CB 3.24Å; Y363-M367 PolarHBondContact O-N 2.86Å
364A97.1Very high94Very high0 Ų039.7 Ų39.70%020%0.195CC..Hα-helixtrans-61.1-39.5175.900000112.6I341 R342 L360 W361 Q368I341-A364 HydrophobicContact CB-CB 4.1Å; I341-A364 HydrophobicContact CG2-CB 3.8Å; R342-A364 HydrophobicContact CG-CB 3.99Å; L360-A364 PolarHBondContact O-N 3.35Å; W361-A364 PolarHBondContact O-N 3.47Å; A364-Q368 VanDerWaalsContact O-CG 3.25Å; A364-Q368 WeakPolarHBondContact O-CG 3.24Å; A364-Q368 PolarHBondContact O-N 2.85Å
365L96.8Very high93.9Very high0 Ų039.6 Ų39.60%020%0.195CC..Hα-helixtrans-66.6-44.4177.3178.461.4000111.1W361 K362 Y363 M367 Q368 Q369 T379 L383 F386 I414 K417W361-L365 WeakPolarHBondContact O-CB 3.45Å; W361-L365 PolarHBondContact O-N 3.47Å; K362-L365 PolarHBondContact O-N 3.43Å; Y363-L365 VanDerWaalsContact C-N 3.32Å; Y363-L365 PolarHBondContact O-N 3.4Å; L365-M367 VanDerWaalsContact C-N 3.35Å; L365-M367 PolarHBondContact O-N 3.44Å; L365-Q368 WeakPolarHBondContact O-CB 3.4Å; L365-Q368 PolarHBondContact O-N 3.11Å; L365-Q369 HydrophobicContact CD1-CG 4.26Å; L365-Q369 WeakPolarHBondContact O-CG 3.32Å; L365-Q369 PolarHBondContact O-N 3.15Å; L365-T379 HydrophobicContact CD1-CG2 3.81Å; L365-L383 HydrophobicContact CD1-CD2 3.82Å; L365-L383 HydrophobicContact CD1-CG 4.07Å; L365-L383 HydrophobicContact CD2-CD2 3.57Å; L365-L383 HydrophobicContact CG-CD2 4.36Å; L365-F386 HydrophobicContact CB-CE2 4.33Å; L365-F386 HydrophobicContact CD2-CD2 4.39Å; L365-F386 HydrophobicContact CD2-CE2 3.99Å; L365-I414 HydrophobicContact CD2-CD1 4.05Å; L365-K417 HydrophobicContact CD2-CB 4.09Å; L365-K417 HydrophobicContact CD2-CD 3.53Å; L365-K417 HydrophobicContact CD2-CG 4.46Å; L365-K417 HydrophobicContact CG-CD 4.14Å
366E95.7Very high94Very high82 Ų8233.7 Ų33.738%0.38317%0.169SC..Hα-helixtrans-60.9-44175.2-75.3173.9-178.600112.1K362 Y363 Q368 Q369 N370 K417K362-E366 WeakPolarHBondContact O-CG 3.4Å; K362-E366 PolarHBondContact O-N 3.08Å; Y363-E366 PolarHBondContact O-N 3.18Å; E366-Q368 VanDerWaalsContact C-N 3.3Å; E366-Q368 PolarHBondContact O-N 3.24Å; E366-Q369 PolarHBondContact O-N 2.85Å; E366-N370 WeakPolarHBondContact O-CB 3.2Å; E366-N370 PolarHBondContact O-N 3.42Å; E366-N370 PolarHBondContact O-ND2 3.42Å; E366-K417 WeakPolarHBondContact OE1-CE 3.43Å; E366-K417 IonicContact OE1-NZ 3.19Å; E366-K417 PolarHBondContact OE1-NZ 3.16Å
367M94.8Very high93.9Very high8 Ų835.9 Ų35.94%0.03919%0.188CC..Hα-helixtrans-55.4-46.4173.7-178.1-172.4-70.300111.2E327 P332 T337 I341 Y363 L365 N370 N371E327-M367 VanDerWaalsContact CD-CE 3.43Å; E327-M367 HydrophobicContact CG-CE 4.06Å; E327-M367 WeakPolarHBondContact OE2-CE 3.32Å; P332-M367 HydrophobicContact CB-CE 4.46Å; P332-M367 HydrophobicContact CB-CG 3.35Å; P332-M367 HydrophobicContact CB-SD 3.74Å; T337-M367 HydrophobicContact CG2-CE 4.15Å; T337-M367 HydrophobicContact CG2-SD 3.78Å; I341-M367 HydrophobicContact CD1-CE 3.71Å; I341-M367 HydrophobicContact CD1-SD 4.16Å; Y363-M367 HydrophobicContact CD1-CE 4.32Å; Y363-M367 HydrophobicContact CE1-CE 3.49Å; Y363-M367 VanDerWaalsContact CE1-CE 3.49Å; Y363-M367 WeakPolarHBondContact O-CB 3.24Å; Y363-M367 PolarHBondContact O-N 2.86Å; L365-M367 VanDerWaalsContact C-N 3.35Å; L365-M367 PolarHBondContact O-N 3.44Å; M367-N370 PolarHBondContact O-N 3.36Å; M367-N371 WeakPolarHBondContact O-CB 3.45Å; M367-N371 PolarHBondContact O-N 3.13Å; M367-N371 PolarHBondContact O-ND2 2.97Å
368Q95.4Very high93.7Very high1 Ų138 Ų381%0.00520%0.199CC..Hα-helixtrans-64.8-47.3177.8-72.3172-22.900112.4S338 A364 L365 E366 N370 N371 L372 S382S338-Q368 PolarHBondContact OG-NE2 3.21Å; A364-Q368 VanDerWaalsContact O-CG 3.25Å; A364-Q368 WeakPolarHBondContact O-CG 3.24Å; A364-Q368 PolarHBondContact O-N 2.85Å; L365-Q368 WeakPolarHBondContact O-CB 3.4Å; L365-Q368 PolarHBondContact O-N 3.11Å; E366-Q368 VanDerWaalsContact C-N 3.3Å; E366-Q368 PolarHBondContact O-N 3.24Å; Q368-N370 VanDerWaalsContact C-N 3.25Å; Q368-N370 PolarHBondContact O-N 3.26Å; Q368-N371 PolarHBondContact O-N 2.83Å; Q368-L372 HydrophobicContact CB-CD1 4.02Å; Q368-L372 HydrophobicContact CG-CD1 4.01Å; Q368-L372 VanDerWaalsContact O-CB 3.27Å; Q368-L372 WeakPolarHBondContact O-CB 3.44Å; Q368-L372 WeakPolarHBondContact O-CG 3.35Å; Q368-L372 PolarHBondContact O-N 3.28Å; Q368-S382 PolarHBondContact NE2-OG 3.37Å; Q368-S382 PolarHBondContact OE1-OG 3.33Å
369Q94.1Very high93.7Very high10 Ų1037.6 Ų37.65%0.04720%0.197CC..Hα-helixtrans-63.2-33.1180-66.6-170.4-70.400112.1L365 E366 T379 K417 E421 R424L365-Q369 HydrophobicContact CD1-CG 4.26Å; L365-Q369 WeakPolarHBondContact O-CG 3.32Å; L365-Q369 PolarHBondContact O-N 3.15Å; E366-Q369 PolarHBondContact O-N 2.85Å; Q369-T379 HydrophobicContact CG-CG2 4.05Å; Q369-K417 PolarHBondContact NE2-O 3.21Å; Q369-E421 VanDerWaalsContact CG-OE1 3.31Å; Q369-E421 WeakPolarHBondContact CG-OE1 3.22Å; Q369-E421 PolarHBondContact NE2-OE1 3.14Å; Q369-R424 PolarHBondContact O-NH1 2.93Å; Q369-R424 PolarHBondContact O-NH2 3.17Å
370N94.1Very high93.6Very high133 Ų13335.2 Ų35.271%0.71118%0.184SC*.Hα-helixtrans-79.6-23.3-179.6-69.6-23.6000113.8E366 M367 Q368E366-N370 WeakPolarHBondContact O-CB 3.2Å; E366-N370 PolarHBondContact O-N 3.42Å; E366-N370 PolarHBondContact O-ND2 3.42Å; M367-N370 PolarHBondContact O-N 3.36Å; Q368-N370 VanDerWaalsContact C-N 3.25Å; Q368-N370 PolarHBondContact O-N 3.26Å
371N92.7Very high93.4Very high60 Ų6037.5 Ų37.532%0.32120%0.2SC..Hα-helixtrans-121.3-11.6-168.5-65.9-84.1000114.7P332 Q333 M367 Q368P332-N371 HydrophobicContact CB-CB 4.39Å; P332-N371 HydrophobicContact CG-CB 4.43Å; P332-N371 WeakPolarHBondContact CG-OD1 3.4Å; Q333-N371 HydrophobicContact CG-CB 3.9Å; M367-N371 WeakPolarHBondContact O-CB 3.45Å; M367-N371 PolarHBondContact O-N 3.13Å; M367-N371 PolarHBondContact O-ND2 2.97Å; Q368-N371 PolarHBondContact O-N 2.83Å
372L91.2Very high93.3Very high28 Ų2836.5 Ų36.515%0.14720%0.196CC..SBendtrans-114.1157.2179.6-54.2179.8000111.4Q368 M378 R424Q368-L372 HydrophobicContact CB-CD1 4.02Å; Q368-L372 HydrophobicContact CG-CD1 4.01Å; Q368-L372 VanDerWaalsContact O-CB 3.27Å; Q368-L372 WeakPolarHBondContact O-CB 3.44Å; Q368-L372 WeakPolarHBondContact O-CG 3.35Å; Q368-L372 PolarHBondContact O-N 3.28Å; L372-M378 HydrophobicContact CD1-CB 4.05Å; L372-M378 HydrophobicContact CD1-CE 3.99Å; L372-M378 HydrophobicContact CD1-SD 3.99Å; L372-R424 PolarHBondContact O-NH2 3.21Å
373D89.6Confident93.3Very high117 Ų11734.3 Ų34.363%0.62619%0.187SC*.  trans-59.1148171.7-69.6-46.1000111.5S376D373-S376 VanDerWaalsContact O-CB 3.31Å; D373-S376 WeakPolarHBondContact O-CB 3.32Å; D373-S376 PolarHBondContact O-N 2.98Å
374P89.9Confident93.2Very high23 Ų2332.6 Ų32.615%0.14918%0.181CC..THydrogen-bonded Turntrans-54143.1175.8-23.334.5000111.9S376 R424 A425 Q428P374-S376 PolarHBondContact O-N 3.47Å; P374-S376 VanDerWaalsContact O-N 3.16Å; P374-R424 HydrophobicContact CB-CB 3.9Å; P374-R424 HydrophobicContact CG-CB 3.76Å; P374-A425 HydrophobicContact CB-CB 3.93Å; P374-Q428 VanDerWaalsContact CG-OE1 3.29Å
375L89.1Confident93Very high9 Ų933.9 Ų33.95%0.04719%0.19CC..THydrogen-bonded Turntrans59.621.3-178.8-54.1172.6000114.3E421 I422 A425 P434 Q438 L439 A442L375-E421 HydrophobicContact CD2-CB 4.31Å; L375-E421 PolarHBondContact N-OE2 3.44Å; L375-E421 VanDerWaalsContact N-OE2 3.11Å; L375-I422 HydrophobicContact CD2-CD1 4.01Å; L375-A425 HydrophobicContact CD1-CB 3.52Å; L375-A425 HydrophobicContact CG-CB 3.8Å; L375-P434 HydrophobicContact CD1-CB 3.79Å; L375-Q438 HydrophobicContact CB-CB 4.42Å; L375-L439 HydrophobicContact CD1-CB 4.23Å; L375-L439 HydrophobicContact CD1-CD1 3.98Å; L375-A442 HydrophobicContact CD2-CB 3.67Å
376S91.1Very high93Very high20 Ų2033.9 Ų33.914%0.1419%0.19CC..  trans-50135.3169.6170.70000110.4D373 P374 M378 T379 T380D373-S376 VanDerWaalsContact O-CB 3.31Å; D373-S376 WeakPolarHBondContact O-CB 3.32Å; D373-S376 PolarHBondContact O-N 2.98Å; P374-S376 PolarHBondContact O-N 3.47Å; P374-S376 VanDerWaalsContact O-N 3.16Å; S376-M378 PolarHBondContact O-N 3.16Å; S376-M378 PolarHBondContact OG-N 3.44Å; S376-T379 PolarHBondContact O-N 3.35Å; S376-T380 PolarHBondContact O-N 2.91Å; S376-T380 PolarHBondContact O-OG1 3.21Å
377P90.7Very high92.9Very high81 Ų8130 Ų3053%0.52617%0.172SC..Hα-helixtrans-53.3-30.2177.9-28.134.8000113.4S381P377-S381 WeakPolarHBondContact O-CB 3.45Å; P377-S381 PolarHBondContact O-N 2.81Å
378M90.2Very high92.9Very high45 Ų4531.4 Ų31.422%0.22218%0.178CC..Hα-helixtrans-67.3-47.1176.4-69175.454.600112.4P335 S338 L372 S376 S381 S382P335-M378 HydrophobicContact CB-CE 3.95Å; P335-M378 HydrophobicContact CB-SD 3.93Å; S338-M378 VanDerWaalsContact OG-CE 3.26Å; S338-M378 WeakPolarHBondContact OG-CE 3.4Å; L372-M378 HydrophobicContact CD1-CB 4.05Å; L372-M378 HydrophobicContact CD1-CE 3.99Å; L372-M378 HydrophobicContact CD1-SD 3.99Å; S376-M378 PolarHBondContact O-N 3.16Å; S376-M378 PolarHBondContact OG-N 3.44Å; M378-S381 WeakPolarHBondContact O-CB 3.32Å; M378-S381 PolarHBondContact O-N 3.25Å; M378-S382 PolarHBondContact O-N 3.38Å; M378-S382 PolarHBondContact O-OG 3.27Å
379T93.6Very high92.7Very high0 Ų032.2 Ų32.20%018%0.183CC..Hα-helixtrans-62.4-47177.6-50.60000110.1L365 Q369 S376 S381 S382 L383 E421L365-T379 HydrophobicContact CD1-CG2 3.81Å; Q369-T379 HydrophobicContact CG-CG2 4.05Å; S376-T379 PolarHBondContact O-N 3.35Å; T379-S381 VanDerWaalsContact C-N 3.3Å; T379-S381 PolarHBondContact O-N 3.26Å; T379-S382 WeakPolarHBondContact O-CB 3.41Å; T379-S382 PolarHBondContact O-N 3.35Å; T379-S382 VanDerWaalsContact O-N 3.11Å; T379-L383 HydrophobicContact CG2-CD1 4.48Å; T379-L383 WeakPolarHBondContact O-CG 3.4Å; T379-L383 PolarHBondContact O-N 2.85Å; T379-E421 HydrophobicContact CG2-CG 3.92Å
380T92.4Very high92.6Very high2 Ų231.8 Ų31.81%0.01218%0.181CC..Hα-helixtrans-59.4-40.1176.7-56.40000111.7S376 L383 L384 K441 I445S376-T380 PolarHBondContact O-N 2.91Å; S376-T380 PolarHBondContact O-OG1 3.21Å; T380-L383 PolarHBondContact O-N 2.8Å; T380-L384 PolarHBondContact O-N 3.26Å; T380-L384 VanDerWaalsContact O-N 3.07Å; T380-K441 HydrophobicContact CG2-CB 4.22Å; T380-K441 HydrophobicContact CG2-CD 3.79Å; T380-K441 HydrophobicContact CG2-CG 3.79Å; T380-I445 HydrophobicContact CG2-CD1 3.55Å; T380-I445 WeakPolarHBondContact O-CD1 3.15Å
381S92.6Very high92.5Very high47 Ų4725.6 Ų25.633%0.32915%0.148SC..Hα-helixtrans-64.1-41.9174.5-172.20000112.4P377 M378 T379 L384 S385P377-S381 WeakPolarHBondContact O-CB 3.45Å; P377-S381 PolarHBondContact O-N 2.81Å; M378-S381 WeakPolarHBondContact O-CB 3.32Å; M378-S381 PolarHBondContact O-N 3.25Å; T379-S381 VanDerWaalsContact C-N 3.3Å; T379-S381 PolarHBondContact O-N 3.26Å; S381-L384 PolarHBondContact O-N 2.98Å; S381-S385 PolarHBondContact O-N 3.16Å; S381-S385 PolarHBondContact O-OG 3.16Å; S381-S385 VanDerWaalsContact O-OG 3.11Å
382S95.1Very high92.3Very high1 Ų127.5 Ų27.51%0.00715%0.154CC..Hα-helixtrans-63-44177.4-60.80000111.8R342 Q368 M378 T379 L384 S385 F386R342-S382 WeakPolarHBondContact CD-OG 3.35Å; R342-S382 PolarHBondContact NH1-OG 2.93Å; R342-S382 VanDerWaalsContact NH1-OG 3.09Å; Q368-S382 PolarHBondContact NE2-OG 3.37Å; Q368-S382 PolarHBondContact OE1-OG 3.33Å; M378-S382 PolarHBondContact O-N 3.38Å; M378-S382 PolarHBondContact O-OG 3.27Å; T379-S382 WeakPolarHBondContact O-CB 3.41Å; T379-S382 PolarHBondContact O-N 3.35Å; T379-S382 VanDerWaalsContact O-N 3.11Å; S382-L384 VanDerWaalsContact C-N 3.35Å; S382-L384 PolarHBondContact O-N 2.93Å; S382-S385 PolarHBondContact O-N 3.43Å; S382-F386 WeakPolarHBondContact O-CD2 3.44Å; S382-F386 PolarHBondContact O-N 3.15Å; S382-F386 VanDerWaalsContact O-N 3.11Å
383L96Very high92.1Very high5 Ų526.5 Ų26.53%0.02615%0.148CC..Hα-helixtrans-62.2-41.2177.5-67.8174.7000112.1L365 T379 T380 F386 A387 I414 S418 E421 I445L365-L383 HydrophobicContact CD1-CD2 3.82Å; L365-L383 HydrophobicContact CD1-CG 4.07Å; L365-L383 HydrophobicContact CD2-CD2 3.57Å; L365-L383 HydrophobicContact CG-CD2 4.36Å; T379-L383 HydrophobicContact CG2-CD1 4.48Å; T379-L383 WeakPolarHBondContact O-CG 3.4Å; T379-L383 PolarHBondContact O-N 2.85Å; T380-L383 PolarHBondContact O-N 2.8Å; L383-F386 WeakPolarHBondContact O-CB 3.28Å; L383-F386 PolarHBondContact O-N 2.87Å; L383-A387 PolarHBondContact O-N 3.49Å; L383-I414 HydrophobicContact CD2-CG2 3.96Å; L383-S418 WeakPolarHBondContact CD2-OG 3.46Å; L383-E421 HydrophobicContact CD1-CG 4.27Å; L383-I445 HydrophobicContact CB-CG2 4.02Å
384L94.9Very high91.9Very high13 Ų1322 Ų227%0.06812%0.124CC..Hα-helixtrans-62.7-44.9174.2177.561.2000111.7T380 S381 S382 F386 A387 E388 I445 V498T380-L384 PolarHBondContact O-N 3.26Å; T380-L384 VanDerWaalsContact O-N 3.07Å; S381-L384 PolarHBondContact O-N 2.98Å; S382-L384 VanDerWaalsContact C-N 3.35Å; S382-L384 PolarHBondContact O-N 2.93Å; L384-F386 VanDerWaalsContact C-N 3.26Å; L384-F386 PolarHBondContact O-N 3.25Å; L384-A387 WeakPolarHBondContact O-CB 3.31Å; L384-A387 PolarHBondContact O-N 3.27Å; L384-E388 HydrophobicContact CD1-CG 4.37Å; L384-E388 HydrophobicContact CG-CG 4.48Å; L384-E388 PolarHBondContact O-N 3.16Å; L384-I445 HydrophobicContact CB-CD1 3.82Å; L384-I445 HydrophobicContact CB-CG1 4.14Å; L384-I445 HydrophobicContact CD1-CG1 4.2Å; L384-V498 HydrophobicContact CD1-CB 4.27Å; L384-V498 HydrophobicContact CD1-CG1 3.98Å; L384-V498 WeakPolarHBondContact CD2-O 3.29Å
385S94.3Very high91.5Very high27 Ų2725.3 Ų25.319%0.18914%0.138CC..Hα-helixtrans-58.4-38.8178-63.40000111.9W361 S381 S382 E388 L389W361-S385 VanDerWaalsContact CZ3-C 3.46Å; W361-S385 WeakPolarHBondContact CZ3-O 3.37Å; S381-S385 PolarHBondContact O-N 3.16Å; S381-S385 PolarHBondContact O-OG 3.16Å; S381-S385 VanDerWaalsContact O-OG 3.11Å; S382-S385 PolarHBondContact O-N 3.43Å; S385-E388 PolarHBondContact O-N 2.91Å; S385-L389 WeakPolarHBondContact O-CB 3.46Å; S385-L389 PolarHBondContact O-N 3.21Å
386F95.6Very high90.6Very high0 Ų026 Ų260%014%0.141CC..Hα-helixtrans-59.8-46.1172-88.1-70.2000112.6W361 K362 L365 S382 L383 L384 E388 L389 F390 I414W361-F386 VanDerWaalsContact C-CZ 3.5Å; W361-F386 HydrophobicContact CB-CE1 3.75Å; W361-F386 HydrophobicContact CB-CE2 3.71Å; W361-F386 HydrophobicContact CB-CZ 3.2Å; W361-F386 AromaticContact CE3-CD1 3.86Å; W361-F386 HydrophobicContact CE3-CD1 3.86Å; W361-F386 HydrophobicContact CE3-CD2 4.25Å; W361-F386 AromaticContact CE3-CE1 3.98Å; W361-F386 HydrophobicContact CE3-CE1 3.98Å; W361-F386 HydrophobicContact CE3-CE2 4.36Å; W361-F386 HydrophobicContact CE3-CG 4.02Å; W361-F386 HydrophobicContact CE3-CZ 4.26Å; W361-F386 HydrophobicContact CG-CZ 4.33Å; K362-F386 HydrophobicContact CG-CZ 4.09Å; L365-F386 HydrophobicContact CB-CE2 4.33Å; L365-F386 HydrophobicContact CD2-CD2 4.39Å; L365-F386 HydrophobicContact CD2-CE2 3.99Å; S382-F386 WeakPolarHBondContact O-CD2 3.44Å; S382-F386 PolarHBondContact O-N 3.15Å; S382-F386 VanDerWaalsContact O-N 3.11Å; L383-F386 WeakPolarHBondContact O-CB 3.28Å; L383-F386 PolarHBondContact O-N 2.87Å; L384-F386 VanDerWaalsContact C-N 3.26Å; L384-F386 PolarHBondContact O-N 3.25Å; F386-E388 VanDerWaalsContact C-N 3.31Å; F386-E388 PolarHBondContact O-N 3.17Å; F386-L389 PolarHBondContact O-N 3.37Å; F386-F390 HydrophobicContact CB-CD2 4.42Å; F386-F390 HydrophobicContact CB-CE2 4.12Å; F386-F390 HydrophobicContact CD1-CE1 4.46Å; F386-F390 AromaticContact CD1-CE2 3.87Å; F386-F390 HydrophobicContact CD1-CE2 3.87Å; F386-F390 AromaticContact CD1-CZ 3.72Å; F386-F390 HydrophobicContact CD1-CZ 3.72Å; F386-F390 HydrophobicContact CE1-CZ 4.28Å; F386-F390 HydrophobicContact CG-CE2 4.42Å; F386-F390 WeakPolarHBondContact O-CB 3.34Å; F386-F390 WeakPolarHBondContact O-CD2 3.43Å; F386-F390 VanDerWaalsContact O-CG 3.29Å; F386-F390 WeakPolarHBondContact O-CG 3.43Å; F386-F390 PolarHBondContact O-N 3.11Å; F386-I414 HydrophobicContact CB-CG1 4.36Å; F386-I414 HydrophobicContact CB-CG2 3.9Å; F386-I414 HydrophobicContact CD1-CD1 4.02Å; F386-I414 HydrophobicContact CD1-CG1 3.86Å; F386-I414 HydrophobicContact CD2-CD1 3.92Å; F386-I414 HydrophobicContact CD2-CG1 4.27Å; F386-I414 HydrophobicContact CD2-CG2 4.26Å; F386-I414 HydrophobicContact CE1-CD1 3.81Å; F386-I414 HydrophobicContact CE1-CG1 4.09Å; F386-I414 HydrophobicContact CE2-CD1 3.7Å; F386-I414 HydrophobicContact CE2-CG1 4.47Å; F386-I414 HydrophobicContact CG-CD1 4.06Å; F386-I414 HydrophobicContact CG-CG1 3.93Å; F386-I414 HydrophobicContact CG-CG2 4.13Å; F386-I414 HydrophobicContact CZ-CD1 3.6Å; F386-I414 HydrophobicContact CZ-CG1 4.35Å
387A94.9Very high89.1Confident0 Ų030.9 Ų30.90%016%0.157CC..Hα-helixtrans-62-39.8177.900000111.9L383 L384 S391 L449 L452 V503L383-A387 PolarHBondContact O-N 3.49Å; L384-A387 WeakPolarHBondContact O-CB 3.31Å; L384-A387 PolarHBondContact O-N 3.27Å; A387-S391 WeakPolarHBondContact O-CB 3.47Å; A387-S391 PolarHBondContact O-N 3.11Å; A387-L449 HydrophobicContact CB-CD2 3.9Å; A387-L449 HydrophobicContact CB-CG 4.38Å; A387-L452 HydrophobicContact CB-CD1 4.46Å; A387-L452 WeakPolarHBondContact O-CD1 3.48Å; A387-V503 HydrophobicContact CB-CG1 4.23Å; A387-V503 HydrophobicContact CB-CG2 4.39Å
388E93.3Very high87.6Confident37 Ų3731.4 Ų31.417%0.17317%0.167CC..Hα-helixtrans-63.8-46.9173.9-68.8179.1145.900111.8L384 S385 F386 S391 F392 R500 Y501 V503L384-E388 HydrophobicContact CD1-CG 4.37Å; L384-E388 HydrophobicContact CG-CG 4.48Å; L384-E388 PolarHBondContact O-N 3.16Å; S385-E388 PolarHBondContact O-N 2.91Å; F386-E388 VanDerWaalsContact C-N 3.31Å; F386-E388 PolarHBondContact O-N 3.17Å; E388-S391 WeakPolarHBondContact O-CB 3.46Å; E388-S391 PolarHBondContact O-N 3.39Å; E388-F392 PolarHBondContact O-N 3Å; E388-R500 PolarHBondContact OE1-N 3.44Å; E388-Y501 PolarHBondContact OE1-N 3.42Å; E388-V503 HydrophobicContact CB-CG2 4.48Å; E388-V503 HydrophobicContact CG-CG2 3.85Å
389L91.4Very high86.3Confident19 Ų1935.4 Ų35.410%0.09918%0.184CC..Hα-helixtrans-60.7-48.4178.1179.264.9000111.8A349 F354 I358 W361 S385 F386 S391 F392 M393A349-L389 HydrophobicContact CB-CD1 4.44Å; F354-L389 HydrophobicContact CD1-CD1 4.15Å; F354-L389 HydrophobicContact CE1-CD1 4.19Å; I358-L389 HydrophobicContact CG1-CD2 4.47Å; W361-L389 HydrophobicContact CE3-CD2 4.01Å; W361-L389 HydrophobicContact CH2-CB 4.18Å; W361-L389 HydrophobicContact CH2-CD2 4.11Å; W361-L389 HydrophobicContact CZ3-CB 3.8Å; W361-L389 HydrophobicContact CZ3-CD2 3.67Å; W361-L389 HydrophobicContact CZ3-CG 4.34Å; S385-L389 WeakPolarHBondContact O-CB 3.46Å; S385-L389 PolarHBondContact O-N 3.21Å; F386-L389 PolarHBondContact O-N 3.37Å; L389-S391 PolarHBondContact O-N 2.76Å; L389-F392 WeakPolarHBondContact O-CB 3.26Å; L389-F392 PolarHBondContact O-N 3.03Å; L389-M393 HydrophobicContact CD1-CG 4.49Å; L389-M393 HydrophobicContact CD1-SD 4.42Å; L389-M393 HydrophobicContact CG-SD 4.15Å; L389-M393 WeakPolarHBondContact O-CG 3.49Å; L389-M393 PolarHBondContact O-N 3.42Å
390F92.6Very high84.8Confident0 Ų038.7 Ų38.70%022%0.217CC..Hα-helixtrans-66.8-36.5179.7-64.5-37.6000112.5I358 F386 F392 M393 L394 V406 D410 L411 I414 L452I358-F390 HydrophobicContact CD1-CE1 4.02Å; I358-F390 HydrophobicContact CG1-CE1 4.23Å; F386-F390 HydrophobicContact CB-CD2 4.42Å; F386-F390 HydrophobicContact CB-CE2 4.12Å; F386-F390 HydrophobicContact CD1-CE1 4.46Å; F386-F390 AromaticContact CD1-CE2 3.87Å; F386-F390 HydrophobicContact CD1-CE2 3.87Å; F386-F390 AromaticContact CD1-CZ 3.72Å; F386-F390 HydrophobicContact CD1-CZ 3.72Å; F386-F390 HydrophobicContact CE1-CZ 4.28Å; F386-F390 HydrophobicContact CG-CE2 4.42Å; F386-F390 WeakPolarHBondContact O-CB 3.34Å; F386-F390 WeakPolarHBondContact O-CD2 3.43Å; F386-F390 VanDerWaalsContact O-CG 3.29Å; F386-F390 WeakPolarHBondContact O-CG 3.43Å; F386-F390 PolarHBondContact O-N 3.11Å; F390-F392 VanDerWaalsContact C-N 3.35Å; F390-M393 HydrophobicContact CD1-SD 4.37Å; F390-M393 PolarHBondContact O-N 3.19Å; F390-L394 WeakPolarHBondContact O-CB 3.35Å; F390-L394 VanDerWaalsContact O-CG 3.3Å; F390-L394 WeakPolarHBondContact O-CG 3.33Å; F390-L394 PolarHBondContact O-N 3.14Å; F390-V406 HydrophobicContact CB-CG1 4.39Å; F390-V406 HydrophobicContact CB-CG2 4.49Å; F390-V406 HydrophobicContact CD1-CG1 3.74Å; F390-V406 HydrophobicContact CD1-CG2 4.07Å; F390-V406 HydrophobicContact CE1-CG1 4.22Å; F390-V406 HydrophobicContact CG-CG1 4.14Å; F390-D410 HydrophobicContact CE1-CB 4.23Å; F390-D410 HydrophobicContact CZ-CB 4.05Å; F390-L411 HydrophobicContact CB-CD2 3.91Å; F390-L411 HydrophobicContact CB-CG 4.48Å; F390-L411 HydrophobicContact CD2-CD2 3.31Å; F390-L411 HydrophobicContact CD2-CG 3.91Å; F390-L411 HydrophobicContact CE2-CD2 3.96Å; F390-L411 HydrophobicContact CE2-CG 4.27Å; F390-L411 HydrophobicContact CG-CD2 3.82Å; F390-L411 HydrophobicContact CG-CG 4.18Å; F390-I414 HydrophobicContact CE2-CB 4.25Å; F390-I414 HydrophobicContact CE2-CG1 3.75Å; F390-I414 HydrophobicContact CZ-CG1 4.08Å; F390-L452 HydrophobicContact CB-CD1 3.99Å
391S91.7Very high83.1Confident4 Ų444.3 Ų44.33%0.02825%0.246CC..Hα-helixtrans-58.8-47.7171.2-176.10000111.4A387 E388 L389 L394 Q395 V503A387-S391 WeakPolarHBondContact O-CB 3.47Å; A387-S391 PolarHBondContact O-N 3.11Å; E388-S391 WeakPolarHBondContact O-CB 3.46Å; E388-S391 PolarHBondContact O-N 3.39Å; L389-S391 PolarHBondContact O-N 2.76Å; S391-L394 PolarHBondContact O-N 3.04Å; S391-Q395 WeakPolarHBondContact O-CG 3.22Å; S391-Q395 PolarHBondContact O-N 2.95Å; S391-Q395 PolarHBondContact OG-NE2 2.94Å; S391-V503 PolarHBondContact OG-O 3.41Å
392F88.8Confident81.6Confident100 Ų10044.6 Ų44.644%0.43924%0.244SC..Hα-helixtrans-59-50.1178.6176.3-98.3000111.8E388 L389 F390 L394 Q395 D396E388-F392 PolarHBondContact O-N 3Å; L389-F392 WeakPolarHBondContact O-CB 3.26Å; L389-F392 PolarHBondContact O-N 3.03Å; F390-F392 VanDerWaalsContact C-N 3.35Å; F392-L394 VanDerWaalsContact C-N 3.32Å; F392-L394 PolarHBondContact O-N 3.4Å; F392-Q395 PolarHBondContact O-N 3.34Å; F392-D396 WeakPolarHBondContact CZ-OD2 3.46Å; F392-D396 PolarHBondContact O-N 3.49Å; F392-D396 VanDerWaalsContact O-N 3.08Å
393M86.9Confident79.7Confident6 Ų648.8 Ų48.83%0.0329%0.287CS..Hα-helixtrans-60.2-39178.8-68.4175.470.800112.6F354 L389 F390 R397 V406F354-M393 HydrophobicContact CB-CE 3.7Å; F354-M393 HydrophobicContact CB-SD 4.2Å; F354-M393 HydrophobicContact CD1-CE 3.94Å; F354-M393 HydrophobicContact CD1-CG 3.81Å; F354-M393 HydrophobicContact CD1-SD 3.59Å; F354-M393 VanDerWaalsContact CD1-SD 3.59Å; F354-M393 HydrophobicContact CD2-CE 4.32Å; F354-M393 HydrophobicContact CE1-CG 3.79Å; F354-M393 HydrophobicContact CE1-SD 4.21Å; F354-M393 HydrophobicContact CG-CE 3.72Å; F354-M393 HydrophobicContact CG-CG 4.46Å; F354-M393 HydrophobicContact CG-SD 4.01Å; F354-M393 HydrophobicContact CZ-CG 4.41Å; L389-M393 HydrophobicContact CD1-CG 4.49Å; L389-M393 HydrophobicContact CD1-SD 4.42Å; L389-M393 HydrophobicContact CG-SD 4.15Å; L389-M393 WeakPolarHBondContact O-CG 3.49Å; L389-M393 PolarHBondContact O-N 3.42Å; F390-M393 HydrophobicContact CD1-SD 4.37Å; F390-M393 PolarHBondContact O-N 3.19Å; M393-R397 PolarHBondContact O-N 3.25Å; M393-V406 HydrophobicContact CB-CG2 3.4Å; M393-V406 HydrophobicContact CE-CG2 3.82Å; M393-V406 HydrophobicContact CG-CG2 4.22Å; M393-V406 HydrophobicContact SD-CG2 3.85Å
394L85.2Confident78.2Confident23 Ų2351.2 Ų51.212%0.1230%0.303CS..Hα-helixtrans-69.4-35.2177.3-73.1172.1000112.8F390 S391 F392 A398 V406 L452 K455 V456F390-L394 WeakPolarHBondContact O-CB 3.35Å; F390-L394 VanDerWaalsContact O-CG 3.3Å; F390-L394 WeakPolarHBondContact O-CG 3.33Å; F390-L394 PolarHBondContact O-N 3.14Å; S391-L394 PolarHBondContact O-N 3.04Å; F392-L394 VanDerWaalsContact C-N 3.32Å; F392-L394 PolarHBondContact O-N 3.4Å; L394-A398 PolarHBondContact O-N 3.18Å; L394-V406 HydrophobicContact CD2-CB 4.25Å; L394-V406 HydrophobicContact CD2-CG2 4.4Å; L394-V406 HydrophobicContact CG-CB 4.44Å; L394-V406 HydrophobicContact CG-CG2 4.19Å; L394-L452 HydrophobicContact CD1-CB 4.38Å; L394-L452 HydrophobicContact CD1-CD2 4.06Å; L394-K455 HydrophobicContact CD1-CB 4.45Å; L394-V456 HydrophobicContact CD1-CG2 4.21Å; L394-V456 HydrophobicContact CD2-CG2 3.92Å
395Q81.3Confident77.1Confident93 Ų9354.2 Ų54.244%0.43533%0.325SS..Hα-helixtrans-70.2-42.1177.7-72176.726.600112.5S391 F392 A398 K399S391-Q395 WeakPolarHBondContact O-CG 3.22Å; S391-Q395 PolarHBondContact O-N 2.95Å; S391-Q395 PolarHBondContact OG-NE2 2.94Å; F392-Q395 PolarHBondContact O-N 3.34Å; Q395-A398 WeakPolarHBondContact O-CB 3.41Å; Q395-A398 PolarHBondContact O-N 3.22Å; Q395-K399 PolarHBondContact O-N 3.2Å
396D69.7Low76.6Confident22 Ų2253.2 Ų53.212%0.11832%0.318CS..Hα-helixtrans-75.2-26.2-179.4-85.71.9000112.9F392 A398 K399 G400 L401 L402F392-D396 WeakPolarHBondContact CZ-OD2 3.46Å; F392-D396 PolarHBondContact O-N 3.49Å; F392-D396 VanDerWaalsContact O-N 3.08Å; D396-A398 VanDerWaalsContact C-N 3.31Å; D396-A398 PolarHBondContact O-N 3.37Å; D396-K399 CarbonylContact O-C 3.51Å; D396-K399 PolarHBondContact O-N 2.99Å; D396-K399 VanDerWaalsContact O-N 3.11Å; D396-K399 IonicContact OD1-NZ 2.82Å; D396-K399 PolarHBondContact OD1-NZ 3.18Å; D396-G400 PolarHBondContact O-N 2.65Å; D396-L401 PolarHBondContact O-N 2.99Å; D396-L402 HydrophobicContact CB-CD1 3.44Å; D396-L402 VanDerWaalsContact CB-CD1 3.44Å; D396-L402 HydrophobicContact CB-CG 4.17Å
397R60.8Low76.3Confident124 Ų12455 Ų5547%0.46833%0.33SS..Hα-helixtrans-58.2-43.7164.5-175.9-175.4179.4-168.91.8111.6M393 K399 G400M393-R397 PolarHBondContact O-N 3.25Å; R397-K399 PolarHBondContact O-N 3.11Å; R397-K399 VanDerWaalsContact O-N 3.15Å; R397-G400 PolarHBondContact O-N 2.95Å
398A59.4Low76.2Confident91 Ų9155.7 Ų55.775%0.75233%0.333SS*.Hα-helixtrans-63-20177.800000112.8L394 Q395 D396L394-A398 PolarHBondContact O-N 3.18Å; Q395-A398 WeakPolarHBondContact O-CB 3.41Å; Q395-A398 PolarHBondContact O-N 3.22Å; D396-A398 VanDerWaalsContact C-N 3.31Å; D396-A398 PolarHBondContact O-N 3.37Å
399K62.6Low76.2Confident130 Ų13060.9 Ų60.957%0.56536%0.357SS*.THydrogen-bonded Turntrans-94.4-3.2175.1-58.8174.4-162.5151.50113.7Q395 D396 R397 L401Q395-K399 PolarHBondContact O-N 3.2Å; D396-K399 CarbonylContact O-C 3.51Å; D396-K399 PolarHBondContact O-N 2.99Å; D396-K399 VanDerWaalsContact O-N 3.11Å; D396-K399 IonicContact OD1-NZ 2.82Å; D396-K399 PolarHBondContact OD1-NZ 3.18Å; R397-K399 PolarHBondContact O-N 3.11Å; R397-K399 VanDerWaalsContact O-N 3.15Å; K399-L401 VanDerWaalsContact C-N 3.31Å; K399-L401 HydrophobicContact CB-CD1 3.72Å; K399-L401 HydrophobicContact CB-CG 3.99Å; K399-L401 HydrophobicContact CD-CD1 3.94Å; K399-L401 PolarHBondContact O-N 3.02Å
400G60.4Low76.3Confident68 Ų6861.4 Ų61.470%0.70136%0.36SS*.THydrogen-bonded Turntrans70.619.8-179.400000115D396 R397D396-G400 PolarHBondContact O-N 2.65Å; R397-G400 PolarHBondContact O-N 2.95Å
401L58.2Low76.4Confident120 Ų12061.4 Ų61.463%0.62836%0.36SS*.  trans-92.3-14-170.7-70.4166.9000114.4D396 K399D396-L401 PolarHBondContact O-N 2.99Å; K399-L401 VanDerWaalsContact C-N 3.31Å; K399-L401 HydrophobicContact CB-CD1 3.72Å; K399-L401 HydrophobicContact CB-CG 3.99Å; K399-L401 HydrophobicContact CD-CD1 3.94Å; K399-L401 PolarHBondContact O-N 3.02Å
402L60.5Low76.6Confident53 Ų5361.4 Ų61.428%0.27736%0.36SS..  trans-128.7137.9-172.6-73.8167.5000111.9F354 D396F354-L402 HydrophobicContact CE2-CD1 4.32Å; F354-L402 HydrophobicContact CE2-CD2 3.78Å; F354-L402 HydrophobicContact CZ-CD1 4.2Å; F354-L402 HydrophobicContact CZ-CD2 4.21Å; D396-L402 HydrophobicContact CB-CD1 3.44Å; D396-L402 VanDerWaalsContact CB-CD1 3.44Å; D396-L402 HydrophobicContact CB-CG 4.17Å
403G56.1Low76.9Confident89 Ų8958 Ų5892%0.91835%0.353SS*.SBendtrans-84.7-5.8174.700000114.7
404T64.2Low77.4Confident57 Ų5757.7 Ų57.735%0.3535%0.351SS..  trans-105.5125.6-177.541.50000111.1F354F354-T404 HydrophobicContact CD2-CG2 4.44Å; F354-T404 WeakPolarHBondContact CD2-OG1 3.48Å
405S72.1Confident78Confident76 Ų7656.6 Ų56.653%0.53135%0.346SS..PPolyproline II helixtrans-102.8138.217858.20000111.7S407S405-S407 PolarHBondContact O-N 3.21Å
406V83.7Confident78.8Confident6 Ų654.3 Ų54.34%0.03634%0.338CS..PPolyproline II helixtrans-64.5124.7166.3-176.20000108.8F390 M393 L394 L411F390-V406 HydrophobicContact CB-CG1 4.39Å; F390-V406 HydrophobicContact CB-CG2 4.49Å; F390-V406 HydrophobicContact CD1-CG1 3.74Å; F390-V406 HydrophobicContact CD1-CG2 4.07Å; F390-V406 HydrophobicContact CE1-CG1 4.22Å; F390-V406 HydrophobicContact CG-CG1 4.14Å; M393-V406 HydrophobicContact CB-CG2 3.4Å; M393-V406 HydrophobicContact CE-CG2 3.82Å; M393-V406 HydrophobicContact CG-CG2 4.22Å; M393-V406 HydrophobicContact SD-CG2 3.85Å; L394-V406 HydrophobicContact CD2-CB 4.25Å; L394-V406 HydrophobicContact CD2-CG2 4.4Å; L394-V406 HydrophobicContact CG-CB 4.44Å; L394-V406 HydrophobicContact CG-CG2 4.19Å; V406-L411 HydrophobicContact CG1-CD1 3.57Å; V406-L411 HydrophobicContact CG1-CG 3.7Å
407S88.6Confident80.1Confident38 Ų3855.2 Ų55.227%0.26634%0.341SS..PPolyproline II helixtrans-84.4155.5176.977.20000111.4S405 E409 D410 L411S405-S407 PolarHBondContact O-N 3.21Å; S407-E409 PolarHBondContact O-N 3.09Å; S407-E409 PolarHBondContact OG-N 2.97Å; S407-D410 PolarHBondContact O-N 2.83Å; S407-D410 WeakPolarHBondContact OG-CB 3.16Å; S407-D410 PolarHBondContact OG-N 3.26Å; S407-D410 PolarHBondContact OG-OD2 2.83Å; S407-L411 PolarHBondContact O-N 3.04Å
408F93.1Very high81.8Confident14 Ų1449.4 Ų49.46%0.06132%0.319CS..Hα-helixtrans-57.6-41.1169.4175.4-89.3000110.8D410 L411 M412 L453 V456 C458 Q462 K466F408-D410 PolarHBondContact O-N 2.86Å; F408-L411 PolarHBondContact O-N 2.9Å; F408-M412 HydrophobicContact CD1-CB 4.14Å; F408-M412 HydrophobicContact CE1-CB 3.78Å; F408-M412 HydrophobicContact CE1-CG 3.8Å; F408-M412 HydrophobicContact CZ-CB 4.07Å; F408-M412 HydrophobicContact CZ-CG 3.92Å; F408-M412 HydrophobicContact CZ-SD 4.06Å; F408-M412 WeakPolarHBondContact O-CB 3.29Å; F408-M412 PolarHBondContact O-N 3.11Å; F408-L453 HydrophobicContact CD2-CD2 3.77Å; F408-L453 HydrophobicContact CE2-CD2 3.82Å; F408-V456 HydrophobicContact CB-CG1 4.29Å; F408-C458 HydrophobicContact CD2-CB 3.73Å; F408-C458 HydrophobicContact CE2-CB 3.96Å; F408-C458 HydrophobicContact CG-CB 4.45Å; F408-Q462 HydrophobicContact CD1-CB 3.92Å; F408-Q462 HydrophobicContact CD1-CG 3.68Å; F408-Q462 HydrophobicContact CD2-CB 4.34Å; F408-Q462 HydrophobicContact CE1-CB 3.57Å; F408-Q462 HydrophobicContact CE1-CG 3.65Å; F408-Q462 HydrophobicContact CE2-CB 4.02Å; F408-Q462 HydrophobicContact CG-CB 4.3Å; F408-Q462 HydrophobicContact CG-CG 4.31Å; F408-Q462 HydrophobicContact CZ-CB 3.64Å; F408-Q462 HydrophobicContact CZ-CG 4.25Å; F408-Q462 VanDerWaalsContact CZ-O 3.23Å; F408-Q462 WeakPolarHBondContact CZ-O 3.32Å; F408-K466 HydrophobicContact CE2-CB 4.35Å; F408-K466 HydrophobicContact CZ-CB 4.18Å
409E93.5Very high83.6Confident146 Ų14645.2 Ų45.268%0.68228%0.284SS*.Hα-helixtrans-61.9-39.9-177.7-64-179.6179.300112.7S407 G413S407-E409 PolarHBondContact O-N 3.09Å; S407-E409 PolarHBondContact OG-N 2.97Å; E409-G413 PolarHBondContact O-N 3.09Å
410D92.3Very high85.1Confident30 Ų3042.2 Ų42.216%0.1627%0.274CS..Hα-helixtrans-65.5-51.9178-69.3-49000111.9K362 F390 S407 F408 M412 G413 I414K362-D410 IonicContact NZ-OD1 3.75Å; K362-D410 PolarHBondContact NZ-OD1 3.23Å; F390-D410 HydrophobicContact CE1-CB 4.23Å; F390-D410 HydrophobicContact CZ-CB 4.05Å; S407-D410 PolarHBondContact O-N 2.83Å; S407-D410 WeakPolarHBondContact OG-CB 3.16Å; S407-D410 PolarHBondContact OG-N 3.26Å; S407-D410 PolarHBondContact OG-OD2 2.83Å; F408-D410 PolarHBondContact O-N 2.86Å; D410-M412 PolarHBondContact O-N 2.88Å; D410-G413 PolarHBondContact O-N 3.33Å; D410-I414 WeakPolarHBondContact O-CG1 3.4Å; D410-I414 PolarHBondContact O-N 3.35Å; D410-I414 VanDerWaalsContact O-N 3.17Å
411L94.8Very high86.7Confident0 Ų039.1 Ų39.10%024%0.241CC..Hα-helixtrans-61.7-45.2177.9-88.4164.3000111.5F390 V406 S407 F408 G413 I414 L415 L449 L452 L453 V456F390-L411 HydrophobicContact CB-CD2 3.91Å; F390-L411 HydrophobicContact CB-CG 4.48Å; F390-L411 HydrophobicContact CD2-CD2 3.31Å; F390-L411 HydrophobicContact CD2-CG 3.91Å; F390-L411 HydrophobicContact CE2-CD2 3.96Å; F390-L411 HydrophobicContact CE2-CG 4.27Å; F390-L411 HydrophobicContact CG-CD2 3.82Å; F390-L411 HydrophobicContact CG-CG 4.18Å; V406-L411 HydrophobicContact CG1-CD1 3.57Å; V406-L411 HydrophobicContact CG1-CG 3.7Å; S407-L411 PolarHBondContact O-N 3.04Å; F408-L411 PolarHBondContact O-N 2.9Å; L411-G413 VanDerWaalsContact C-N 3.33Å; L411-G413 PolarHBondContact O-N 3.3Å; L411-I414 PolarHBondContact O-N 3.35Å; L411-L415 PolarHBondContact O-N 3.36Å; L411-L449 HydrophobicContact CD2-CD2 4.25Å; L411-L452 HydrophobicContact CD1-CB 4.36Å; L411-L452 HydrophobicContact CD2-CB 3.86Å; L411-L452 HydrophobicContact CD2-CD1 4.15Å; L411-L453 HydrophobicContact CB-CD2 3.56Å; L411-L453 HydrophobicContact CB-CG 3.95Å; L411-L453 HydrophobicContact CD1-CD2 4.35Å; L411-V456 HydrophobicContact CD1-CG2 3.6Å
412M96.7Very high88.4Confident3 Ų333.4 Ų33.42%0.01521%0.212CC..Hα-helixtrans-66.5-36.7-178.9-169.862.2-153.500111.6F408 D410 L415 T416 L453 F465 K466 T469F408-M412 HydrophobicContact CD1-CB 4.14Å; F408-M412 HydrophobicContact CE1-CB 3.78Å; F408-M412 HydrophobicContact CE1-CG 3.8Å; F408-M412 HydrophobicContact CZ-CB 4.07Å; F408-M412 HydrophobicContact CZ-CG 3.92Å; F408-M412 HydrophobicContact CZ-SD 4.06Å; F408-M412 WeakPolarHBondContact O-CB 3.29Å; F408-M412 PolarHBondContact O-N 3.11Å; D410-M412 PolarHBondContact O-N 2.88Å; M412-L415 HydrophobicContact CE-CD2 4.21Å; M412-L415 PolarHBondContact O-N 3.04Å; M412-L415 HydrophobicContact SD-CD2 3.98Å; M412-T416 WeakPolarHBondContact O-CB 3.37Å; M412-T416 PolarHBondContact O-N 3.28Å; M412-T416 PolarHBondContact O-OG1 3.11Å; M412-L453 HydrophobicContact CB-CD2 4.44Å; M412-L453 HydrophobicContact SD-CD1 4.13Å; M412-F465 HydrophobicContact CE-CD1 3.79Å; M412-F465 HydrophobicContact CE-CE1 3.61Å; M412-F465 HydrophobicContact CE-CG 4.47Å; M412-F465 HydrophobicContact CE-CZ 4.14Å; M412-F465 HydrophobicContact CG-CD1 3.7Å; M412-F465 HydrophobicContact CG-CE1 3.48Å; M412-F465 VanDerWaalsContact CG-CE1 3.48Å; M412-F465 HydrophobicContact SD-CD1 4.28Å; M412-F465 HydrophobicContact SD-CE1 4.32Å; M412-K466 HydrophobicContact SD-CB 4.19Å; M412-T469 VanDerWaalsContact CE-CB 3.42Å; M412-T469 HydrophobicContact CE-CG2 3.72Å; M412-T469 WeakPolarHBondContact CE-OG1 3.24Å
413G95.9Very high90Very high28 Ų2832 Ų3229%0.28920%0.204SC..Hα-helixtrans-60.2-43.6172.800000112.2E409 D410 L411 T416 K417E409-G413 PolarHBondContact O-N 3.09Å; D410-G413 PolarHBondContact O-N 3.33Å; L411-G413 VanDerWaalsContact C-N 3.33Å; L411-G413 PolarHBondContact O-N 3.3Å; G413-T416 PolarHBondContact O-N 3.22Å; G413-K417 WeakPolarHBondContact O-CG 3.35Å; G413-K417 PolarHBondContact O-N 3.42Å
414I97.3Very high91.6Very high0 Ų030.9 Ų30.90%017%0.171CC..Hα-helixtrans-71.8-38.1177-57.8-49.8000111.9K362 L365 L383 F386 F390 D410 L411 T416 K417 S418 L449K362-I414 HydrophobicContact CG-CD1 4.23Å; L365-I414 HydrophobicContact CD2-CD1 4.05Å; L383-I414 HydrophobicContact CD2-CG2 3.96Å; F386-I414 HydrophobicContact CB-CG1 4.36Å; F386-I414 HydrophobicContact CB-CG2 3.9Å; F386-I414 HydrophobicContact CD1-CD1 4.02Å; F386-I414 HydrophobicContact CD1-CG1 3.86Å; F386-I414 HydrophobicContact CD2-CD1 3.92Å; F386-I414 HydrophobicContact CD2-CG1 4.27Å; F386-I414 HydrophobicContact CD2-CG2 4.26Å; F386-I414 HydrophobicContact CE1-CD1 3.81Å; F386-I414 HydrophobicContact CE1-CG1 4.09Å; F386-I414 HydrophobicContact CE2-CD1 3.7Å; F386-I414 HydrophobicContact CE2-CG1 4.47Å; F386-I414 HydrophobicContact CG-CD1 4.06Å; F386-I414 HydrophobicContact CG-CG1 3.93Å; F386-I414 HydrophobicContact CG-CG2 4.13Å; F386-I414 HydrophobicContact CZ-CD1 3.6Å; F386-I414 HydrophobicContact CZ-CG1 4.35Å; F390-I414 HydrophobicContact CE2-CB 4.25Å; F390-I414 HydrophobicContact CE2-CG1 3.75Å; F390-I414 HydrophobicContact CZ-CG1 4.08Å; D410-I414 WeakPolarHBondContact O-CG1 3.4Å; D410-I414 PolarHBondContact O-N 3.35Å; D410-I414 VanDerWaalsContact O-N 3.17Å; L411-I414 PolarHBondContact O-N 3.35Å; I414-T416 VanDerWaalsContact C-N 3.32Å; I414-T416 PolarHBondContact O-N 3.28Å; I414-K417 PolarHBondContact O-N 2.78Å; I414-S418 WeakPolarHBondContact O-CB 3.48Å; I414-S418 PolarHBondContact O-N 3.23Å; I414-S418 PolarHBondContact O-OG 3.37Å; I414-L449 HydrophobicContact CG2-CD1 3.94Å; I414-L449 HydrophobicContact CG2-CD2 4.22Å
415L97.6Very high92.9Very high1 Ų128.5 Ų28.51%0.00516%0.158CC..Hα-helixtrans-58.4-46.8172.5177.763.6000110.6L411 M412 K417 S418 V419 I446 L449 I450 L453 T469L411-L415 PolarHBondContact O-N 3.36Å; M412-L415 HydrophobicContact CE-CD2 4.21Å; M412-L415 PolarHBondContact O-N 3.04Å; M412-L415 HydrophobicContact SD-CD2 3.98Å; L415-K417 PolarHBondContact O-N 3.17Å; L415-S418 WeakPolarHBondContact O-CB 3.45Å; L415-S418 PolarHBondContact O-N 3.09Å; L415-S418 VanDerWaalsContact O-N 3.1Å; L415-V419 HydrophobicContact CD1-CG2 4.35Å; L415-V419 WeakPolarHBondContact O-CG2 3.45Å; L415-V419 PolarHBondContact O-N 3.02Å; L415-I446 HydrophobicContact CD1-CG2 3.88Å; L415-L449 HydrophobicContact CD1-CB 4.22Å; L415-I450 HydrophobicContact CD1-CG1 4.04Å; L415-I450 HydrophobicContact CD2-CG1 4.26Å; L415-L453 HydrophobicContact CB-CD1 4.19Å; L415-L453 HydrophobicContact CD2-CD1 3.46Å; L415-L453 VanDerWaalsContact CD2-CD1 3.46Å; L415-L453 HydrophobicContact CG-CD1 4.4Å; L415-T469 HydrophobicContact CG-CG2 4.46Å
416T97.8Very high93.5Very high44 Ų4428.8 Ų28.827%0.2716%0.156SC..Hα-helixtrans-59.7-45.3178.6-56.60000111.5M412 G413 I414 S418 V419 L420M412-T416 WeakPolarHBondContact O-CB 3.37Å; M412-T416 PolarHBondContact O-N 3.28Å; M412-T416 PolarHBondContact O-OG1 3.11Å; G413-T416 PolarHBondContact O-N 3.22Å; I414-T416 VanDerWaalsContact C-N 3.32Å; I414-T416 PolarHBondContact O-N 3.28Å; T416-S418 VanDerWaalsContact C-N 3.31Å; T416-S418 PolarHBondContact O-N 2.88Å; T416-V419 PolarHBondContact O-N 3.34Å; T416-L420 WeakPolarHBondContact O-CB 3.46Å; T416-L420 PolarHBondContact O-N 3.49Å
417K96.8Very high93.6Very high41 Ų4135.5 Ų35.518%0.17819%0.185CC..Hα-helixtrans-64.2-34.6175.4-71.4179.4-173.6-670112.5L365 E366 Q369 G413 I414 L415 L420 E421L365-K417 HydrophobicContact CD2-CB 4.09Å; L365-K417 HydrophobicContact CD2-CD 3.53Å; L365-K417 HydrophobicContact CD2-CG 4.46Å; L365-K417 HydrophobicContact CG-CD 4.14Å; E366-K417 WeakPolarHBondContact OE1-CE 3.43Å; E366-K417 IonicContact OE1-NZ 3.19Å; E366-K417 PolarHBondContact OE1-NZ 3.16Å; Q369-K417 PolarHBondContact NE2-O 3.21Å; G413-K417 WeakPolarHBondContact O-CG 3.35Å; G413-K417 PolarHBondContact O-N 3.42Å; I414-K417 PolarHBondContact O-N 2.78Å; L415-K417 PolarHBondContact O-N 3.17Å; K417-L420 WeakPolarHBondContact O-CB 3.42Å; K417-L420 PolarHBondContact O-N 2.97Å; K417-E421 PolarHBondContact O-N 2.75Å
418S96.8Very high93.2Very high3 Ų338.7 Ų38.72%0.02120%0.195CC..Hα-helixtrans-67.5-43.2175.9-54.30000111.8L383 I414 L415 T416 L420 E421 I422 L449L383-S418 WeakPolarHBondContact CD2-OG 3.46Å; I414-S418 WeakPolarHBondContact O-CB 3.48Å; I414-S418 PolarHBondContact O-N 3.23Å; I414-S418 PolarHBondContact O-OG 3.37Å; L415-S418 WeakPolarHBondContact O-CB 3.45Å; L415-S418 PolarHBondContact O-N 3.09Å; L415-S418 VanDerWaalsContact O-N 3.1Å; T416-S418 VanDerWaalsContact C-N 3.31Å; T416-S418 PolarHBondContact O-N 2.88Å; S418-L420 VanDerWaalsContact C-N 3.32Å; S418-E421 WeakPolarHBondContact O-CB 3.42Å; S418-E421 PolarHBondContact O-N 3.45Å; S418-I422 PolarHBondContact O-N 2.88Å; S418-L449 VanDerWaalsContact OG-CD1 3.28Å; S418-L449 WeakPolarHBondContact OG-CD1 3.3Å
419V96.6Very high91.4Very high2 Ų246.3 Ų46.31%0.01224%0.235CC..Hα-helixtrans-65-38.4175173.70000110.9L415 T416 E421 I422 E423 T469 F473L415-V419 HydrophobicContact CD1-CG2 4.35Å; L415-V419 WeakPolarHBondContact O-CG2 3.45Å; L415-V419 PolarHBondContact O-N 3.02Å; T416-V419 PolarHBondContact O-N 3.34Å; V419-E421 VanDerWaalsContact C-N 3.26Å; V419-E421 PolarHBondContact O-N 2.79Å; V419-I422 WeakPolarHBondContact O-CB 3.48Å; V419-I422 PolarHBondContact O-N 3.4Å; V419-I422 VanDerWaalsContact O-N 3.07Å; V419-E423 HydrophobicContact CG1-CG 4.42Å; V419-E423 PolarHBondContact O-N 3.1Å; V419-T469 HydrophobicContact CG2-CG2 4.09Å; V419-F473 HydrophobicContact CB-CB 4.48Å; V419-F473 HydrophobicContact CG1-CB 3.83Å; V419-F473 HydrophobicContact CG2-CB 3.8Å; V419-F473 HydrophobicContact CG2-CD2 4.34Å; V419-F473 HydrophobicContact CG2-CG 4.19Å
420L95.3Very high89.7Confident68 Ų6841.2 Ų41.236%0.35622%0.222SC..Hα-helixtrans-58.5-36.2174.4-179.464.4000112.3T416 K417 S418 I422 E423 R424T416-L420 WeakPolarHBondContact O-CB 3.46Å; T416-L420 PolarHBondContact O-N 3.49Å; K417-L420 WeakPolarHBondContact O-CB 3.42Å; K417-L420 PolarHBondContact O-N 2.97Å; S418-L420 VanDerWaalsContact C-N 3.32Å; L420-I422 VanDerWaalsContact C-N 3.33Å; L420-I422 PolarHBondContact O-N 3.2Å; L420-E423 PolarHBondContact O-N 3.44Å; L420-R424 HydrophobicContact CD1-CG 4.28Å; L420-R424 HydrophobicContact CG-CG 4.31Å; L420-R424 WeakPolarHBondContact O-CB 3.36Å; L420-R424 VanDerWaalsContact O-CG 3.24Å; L420-R424 WeakPolarHBondContact O-CG 3.5Å; L420-R424 PolarHBondContact O-N 3.48Å
421E93.8Very high87.8Confident3 Ų346.7 Ų46.71%0.01426%0.259CS..Hα-helixtrans-61.7-41174.1-75-56.3103.600112.4Q369 L375 T379 L383 K417 S418 V419 R424 A425Q369-E421 VanDerWaalsContact CG-OE1 3.31Å; Q369-E421 WeakPolarHBondContact CG-OE1 3.22Å; Q369-E421 PolarHBondContact NE2-OE1 3.14Å; L375-E421 HydrophobicContact CD2-CB 4.31Å; L375-E421 PolarHBondContact N-OE2 3.44Å; L375-E421 VanDerWaalsContact N-OE2 3.11Å; T379-E421 HydrophobicContact CG2-CG 3.92Å; L383-E421 HydrophobicContact CD1-CG 4.27Å; K417-E421 PolarHBondContact O-N 2.75Å; S418-E421 WeakPolarHBondContact O-CB 3.42Å; S418-E421 PolarHBondContact O-N 3.45Å; V419-E421 VanDerWaalsContact C-N 3.26Å; V419-E421 PolarHBondContact O-N 2.79Å; E421-R424 PolarHBondContact O-N 2.79Å; E421-R424 IonicContact OE1-CZ 3.61Å; E421-R424 IonicContact OE1-NH1 3.75Å; E421-R424 PolarHBondContact OE1-NH1 2.93Å; E421-R424 IonicContact OE2-NH1 2.57Å; E421-R424 PolarHBondContact OE2-NH1 3.47Å; E421-A425 WeakPolarHBondContact O-CB 3.45Å; E421-A425 PolarHBondContact O-N 2.83Å
422I93.6Very high86Confident0 Ų054.6 Ų54.60%030%0.298CS..Hα-helixtrans-65.1-45.1175.3-51.1-53.6000110L375 S418 V419 L420 R424 A425 V426 L439 A442 L443 I446 F473 L476 P478L375-I422 HydrophobicContact CD2-CD1 4.01Å; S418-I422 PolarHBondContact O-N 2.88Å; V419-I422 WeakPolarHBondContact O-CB 3.48Å; V419-I422 PolarHBondContact O-N 3.4Å; V419-I422 VanDerWaalsContact O-N 3.07Å; L420-I422 VanDerWaalsContact C-N 3.33Å; L420-I422 PolarHBondContact O-N 3.2Å; I422-R424 VanDerWaalsContact C-N 3.32Å; I422-R424 PolarHBondContact O-N 3.43Å; I422-A425 PolarHBondContact O-N 2.89Å; I422-V426 HydrophobicContact CG2-CG2 4.31Å; I422-V426 VanDerWaalsContact O-CG2 3.32Å; I422-V426 WeakPolarHBondContact O-CG2 3.43Å; I422-V426 PolarHBondContact O-N 2.94Å; I422-L439 HydrophobicContact CD1-CD1 3.74Å; I422-A442 HydrophobicContact CD1-CB 3.95Å; I422-L443 HydrophobicContact CD1-CD2 4.15Å; I422-I446 HydrophobicContact CD1-CD1 4.08Å; I422-I446 HydrophobicContact CG1-CD1 3.58Å; I422-F473 HydrophobicContact CG1-CD2 4.39Å; I422-F473 HydrophobicContact CG1-CE2 4.16Å; I422-L476 HydrophobicContact CB-CD1 4.18Å; I422-L476 HydrophobicContact CG2-CD1 3.77Å; I422-P478 HydrophobicContact CG2-CB 3.98Å
423E93Very high84.6Confident24 Ų2459.7 Ų59.711%0.11233%0.331CS..Hα-helixtrans-59.4-42.7176.8-69.9-179.5-178.700112V419 L420 K427 R472 L476V419-E423 HydrophobicContact CG1-CG 4.42Å; V419-E423 PolarHBondContact O-N 3.1Å; L420-E423 PolarHBondContact O-N 3.44Å; E423-K427 VanDerWaalsContact O-CB 3.32Å; E423-K427 WeakPolarHBondContact O-CB 3.41Å; E423-K427 WeakPolarHBondContact O-CG 3.21Å; E423-K427 PolarHBondContact O-N 3.17Å; E423-R472 IonicContact OE1-CZ 3.7Å; E423-R472 IonicContact OE1-NE 3.93Å; E423-R472 IonicContact OE1-NH2 3.65Å; E423-R472 PolarHBondContact OE1-NH2 3.28Å; E423-R472 IonicContact OE2-NH2 2.79Å; E423-L476 HydrophobicContact CB-CD1 4.4Å; E423-L476 HydrophobicContact CG-CD1 3.57Å; E423-L476 HydrophobicContact CG-CD2 4.25Å; E423-L476 HydrophobicContact CG-CG 4.48Å
424R91.4Very high83.4Confident64 Ų6461 Ų6124%0.24233%0.334CS..Hα-helixtrans-64.1-43.7177.2-72.417469-144.9-1.2111.2Q369 L372 P374 L420 E421 I422 K427 Q428Q369-R424 PolarHBondContact O-NH1 2.93Å; Q369-R424 PolarHBondContact O-NH2 3.17Å; L372-R424 PolarHBondContact O-NH2 3.21Å; P374-R424 HydrophobicContact CB-CB 3.9Å; P374-R424 HydrophobicContact CG-CB 3.76Å; L420-R424 HydrophobicContact CD1-CG 4.28Å; L420-R424 HydrophobicContact CG-CG 4.31Å; L420-R424 WeakPolarHBondContact O-CB 3.36Å; L420-R424 VanDerWaalsContact O-CG 3.24Å; L420-R424 WeakPolarHBondContact O-CG 3.5Å; L420-R424 PolarHBondContact O-N 3.48Å; E421-R424 PolarHBondContact O-N 2.79Å; E421-R424 IonicContact OE1-CZ 3.61Å; E421-R424 IonicContact OE1-NH1 3.75Å; E421-R424 PolarHBondContact OE1-NH1 2.93Å; E421-R424 IonicContact OE2-NH1 2.57Å; E421-R424 PolarHBondContact OE2-NH1 3.47Å; I422-R424 VanDerWaalsContact C-N 3.32Å; I422-R424 PolarHBondContact O-N 3.43Å; R424-K427 PolarHBondContact O-N 3.49Å; R424-Q428 PolarHBondContact O-N 3.09Å; R424-Q428 VanDerWaalsContact O-N 3.14Å
425A89.9Confident82.6Confident7 Ų765 Ų656%0.05836%0.356CS..Hα-helixtrans-65.2-42178.800000112.6P374 L375 E421 I422 Q428P374-A425 HydrophobicContact CB-CB 3.93Å; L375-A425 HydrophobicContact CD1-CB 3.52Å; L375-A425 HydrophobicContact CG-CB 3.8Å; E421-A425 WeakPolarHBondContact O-CB 3.45Å; E421-A425 PolarHBondContact O-N 2.83Å; I422-A425 PolarHBondContact O-N 2.89Å; A425-Q428 PolarHBondContact O-N 2.99Å
426V86.1Confident81.8Confident82 Ų8268.2 Ų68.250%0.49738%0.377SS..Hα-helixtrans-68.9-34.7177.71730000111.7I422 Q428I422-V426 HydrophobicContact CG2-CG2 4.31Å; I422-V426 VanDerWaalsContact O-CG2 3.32Å; I422-V426 WeakPolarHBondContact O-CG2 3.43Å; I422-V426 PolarHBondContact O-N 2.94Å; V426-Q428 VanDerWaalsContact C-N 3.34Å
427K84.3Confident81.2Confident148 Ų14868.6 Ų68.664%0.64339%0.385SS*.Hα-helixtrans-75.8-19.4178.3-75.4172.9-175.6170.10113.8E423 R424 I429E423-K427 VanDerWaalsContact O-CB 3.32Å; E423-K427 WeakPolarHBondContact O-CB 3.41Å; E423-K427 WeakPolarHBondContact O-CG 3.21Å; E423-K427 PolarHBondContact O-N 3.17Å; R424-K427 PolarHBondContact O-N 3.49Å; K427-I429 PolarHBondContact O-N 3.17Å
428Q79.9Confident80.8Confident104 Ų10469 Ų6949%0.48639%0.387SS..  trans-72.493.1-179.7-166.6171.17.500109.2P374 R424 A425 V426 G430P374-Q428 VanDerWaalsContact CG-OE1 3.29Å; R424-Q428 PolarHBondContact O-N 3.09Å; R424-Q428 VanDerWaalsContact O-N 3.14Å; A425-Q428 PolarHBondContact O-N 2.99Å; V426-Q428 VanDerWaalsContact C-N 3.34Å; Q428-G430 PolarHBondContact O-N 2.98Å
429I55.5Low80.5Confident175 Ų17569.7 Ų69.790%0.89739%0.39SS*.  trans-72.677.6172.4-54.7171.5000107.4K427K427-I429 PolarHBondContact O-N 3.17Å
430G59Low80.3Confident39 Ų3970.7 Ų70.740%0.40240%0.397SS..  trans-109.3163.4176.400000112.2Q428 M432Q428-G430 PolarHBondContact O-N 2.98Å; G430-M432 PolarHBondContact O-N 2.88Å
431P52.2Low80.1Confident144 Ų14471.2 Ų71.294%0.93540%0.397SS*.SBendtrans-70.1-12.7178.528-33.7000113.9
432M57.6Low80.1Confident166 Ų16671.3 Ų71.382%0.81840%0.398SS*.SBendtrans-120.3129.7175.8-83.9-176.3172.900110.7G430G430-M432 PolarHBondContact O-N 2.88Å
433P65.8Low80.2Confident110 Ų11071.3 Ų71.371%0.71440%0.398SS*.PPolyproline II helixtrans-64.2156.2171.128.2-33.3000110.8
434P70.4Confident80.3Confident55 Ų5570.5 Ų70.536%0.35740%0.395SS..PPolyproline II helixtrans-57.7142.1175.622.4-31.4000111L375 P436 L439L375-P434 HydrophobicContact CD1-CB 3.79Å; P434-P436 VanDerWaalsContact O-CD 3.24Å; P434-P436 WeakPolarHBondContact O-CD 3.45Å; P434-P436 VanDerWaalsContact O-N 3.09Å; P434-L439 HydrophobicContact CG-CD2 4.38Å
435D80.6Confident80.6Confident85 Ų8567.5 Ų67.546%0.45538%0.384SS..PPolyproline II helixtrans-54.6116.3177.4175.33.9000109.9A437 Q438 L439D435-A437 PolarHBondContact O-N 3.01Å; D435-A437 VanDerWaalsContact O-N 3.09Å; D435-A437 WeakPolarHBondContact OD1-CB 3.25Å; D435-A437 PolarHBondContact OD1-N 3.25Å; D435-Q438 HydrophobicContact CB-CB 4.23Å; D435-Q438 HydrophobicContact CB-CG 4.02Å; D435-Q438 PolarHBondContact O-N 3.44Å; D435-L439 PolarHBondContact O-N 2.69Å
436P82.7Confident80.9Confident69 Ų6967.2 Ų67.245%0.44838%0.382SS..Hα-helixtrans-56.8-29.1-178.1-25.934.6000113.2P434 S440 K481P434-P436 VanDerWaalsContact O-CD 3.24Å; P434-P436 WeakPolarHBondContact O-CD 3.45Å; P434-P436 VanDerWaalsContact O-N 3.09Å; P436-S440 WeakPolarHBondContact O-CB 3.3Å; P436-S440 PolarHBondContact O-N 3.34Å; P436-S440 PolarHBondContact O-OG 3.17Å; P436-K481 HydrophobicContact CB-CB 4.41Å; P436-K481 PolarHBondContact O-N 2.7Å
437A85.1Confident81.4Confident52 Ų5263.3 Ų63.343%0.4336%0.358SS..Hα-helixtrans-70.7-44.217700000112.1D435 S440 K441D435-A437 PolarHBondContact O-N 3.01Å; D435-A437 VanDerWaalsContact O-N 3.09Å; D435-A437 WeakPolarHBondContact OD1-CB 3.25Å; D435-A437 PolarHBondContact OD1-N 3.25Å; A437-S440 PolarHBondContact O-N 3.47Å; A437-K441 PolarHBondContact O-N 3.14Å; A437-K441 VanDerWaalsContact O-N 3.12Å
438Q87.7Confident82.1Confident48 Ų4856.4 Ų56.422%0.22433%0.328CS..Hα-helixtrans-64.9-42.2175.1-64.9-54.6-37.600111.2L375 D435 K441 A442L375-Q438 HydrophobicContact CB-CB 4.42Å; D435-Q438 HydrophobicContact CB-CB 4.23Å; D435-Q438 HydrophobicContact CB-CG 4.02Å; D435-Q438 PolarHBondContact O-N 3.44Å; Q438-K441 PolarHBondContact O-N 3.46Å; Q438-A442 PolarHBondContact O-N 2.86Å
439L90.6Very high82.9Confident18 Ų1851.4 Ų51.49%0.09431%0.305CS..Hα-helixtrans-61.5-46.9177.1-175.453.5000111L375 I422 P434 D435 K441 A442 L443 C479L375-L439 HydrophobicContact CD1-CB 4.23Å; L375-L439 HydrophobicContact CD1-CD1 3.98Å; I422-L439 HydrophobicContact CD1-CD1 3.74Å; P434-L439 HydrophobicContact CG-CD2 4.38Å; D435-L439 PolarHBondContact O-N 2.69Å; L439-K441 VanDerWaalsContact C-N 3.27Å; L439-K441 PolarHBondContact O-N 3.11Å; L439-A442 PolarHBondContact O-N 3.33Å; L439-A442 VanDerWaalsContact O-N 3.13Å; L439-L443 HydrophobicContact CD1-CD2 4.37Å; L439-L443 HydrophobicContact CD1-CG 4.24Å; L439-L443 HydrophobicContact CG-CD1 4.31Å; L439-L443 HydrophobicContact CG-CG 4.44Å; L439-L443 VanDerWaalsContact O-CG 3.28Å; L439-L443 WeakPolarHBondContact O-CG 3.32Å; L439-L443 PolarHBondContact O-N 2.9Å; L439-C479 WeakPolarHBondContact CD2-O 3.27Å
440S91.1Very high84.9Confident23 Ų2343.1 Ų43.116%0.16126%0.262CS..Hα-helixtrans-54.7-43.5175.2-57.20000112.6P436 A437 L443 S444 G480 K481P436-S440 WeakPolarHBondContact O-CB 3.3Å; P436-S440 PolarHBondContact O-N 3.34Å; P436-S440 PolarHBondContact O-OG 3.17Å; A437-S440 PolarHBondContact O-N 3.47Å; S440-L443 PolarHBondContact O-N 3.27Å; S440-S444 WeakPolarHBondContact O-CB 3.41Å; S440-S444 PolarHBondContact O-N 3.41Å; S440-G480 WeakPolarHBondContact OG-CA 3.48Å; S440-K481 VanDerWaalsContact OG-CB 3.3Å; S440-K481 WeakPolarHBondContact OG-CB 3.35Å; S440-K481 PolarHBondContact OG-N 2.66Å
441K92.1Very high86.6Confident79 Ų7941.8 Ų41.834%0.34325%0.247SC..Hα-helixtrans-64.8-44.9178.6-170.2174.3-179.7179.70111.2T380 A437 Q438 L439 S444 I445 V498T380-K441 HydrophobicContact CG2-CB 4.22Å; T380-K441 HydrophobicContact CG2-CD 3.79Å; T380-K441 HydrophobicContact CG2-CG 3.79Å; A437-K441 PolarHBondContact O-N 3.14Å; A437-K441 VanDerWaalsContact O-N 3.12Å; Q438-K441 PolarHBondContact O-N 3.46Å; L439-K441 VanDerWaalsContact C-N 3.27Å; L439-K441 PolarHBondContact O-N 3.11Å; K441-S444 PolarHBondContact O-N 3.15Å; K441-I445 HydrophobicContact CG-CD1 4.25Å; K441-I445 VanDerWaalsContact O-CG1 3.29Å; K441-I445 WeakPolarHBondContact O-CG1 3.28Å; K441-I445 PolarHBondContact O-N 2.65Å; K441-V498 HydrophobicContact CG-CG1 4.23Å
442A94.4Very high88.6Confident6 Ų635 Ų355%0.0520%0.202CC..Hα-helixtrans-61.7-44.5176.600000112.2L375 I422 Q438 L439 S444 I445 I446L375-A442 HydrophobicContact CD2-CB 3.67Å; I422-A442 HydrophobicContact CD1-CB 3.95Å; Q438-A442 PolarHBondContact O-N 2.86Å; L439-A442 PolarHBondContact O-N 3.33Å; L439-A442 VanDerWaalsContact O-N 3.13Å; A442-S444 VanDerWaalsContact C-N 3.33Å; A442-S444 PolarHBondContact O-N 3.21Å; A442-I445 PolarHBondContact O-N 3.11Å; A442-I446 WeakPolarHBondContact O-CG1 3.46Å; A442-I446 PolarHBondContact O-N 2.76Å
443L95.1Very high90.4Very high0 Ų027.1 Ų27.10%016%0.163CC..Hα-helixtrans-60.1-44.4175.5-63177.9000111.4I422 L439 S440 I445 I446 L447 F473 P478 L489I422-L443 HydrophobicContact CD1-CD2 4.15Å; L439-L443 HydrophobicContact CD1-CD2 4.37Å; L439-L443 HydrophobicContact CD1-CG 4.24Å; L439-L443 HydrophobicContact CG-CD1 4.31Å; L439-L443 HydrophobicContact CG-CG 4.44Å; L439-L443 VanDerWaalsContact O-CG 3.28Å; L439-L443 WeakPolarHBondContact O-CG 3.32Å; L439-L443 PolarHBondContact O-N 2.9Å; S440-L443 PolarHBondContact O-N 3.27Å; L443-I445 VanDerWaalsContact C-N 3.35Å; L443-I445 PolarHBondContact O-N 2.87Å; L443-I446 WeakPolarHBondContact O-CB 3.22Å; L443-I446 PolarHBondContact O-N 3.36Å; L443-L447 WeakPolarHBondContact O-CG 3.44Å; L443-L447 PolarHBondContact O-N 3.39Å; L443-F473 HydrophobicContact CD2-CE2 3.52Å; L443-F473 HydrophobicContact CD2-CZ 3.61Å; L443-P478 HydrophobicContact CD1-CB 4.33Å; L443-P478 HydrophobicContact CD2-CB 3.65Å; L443-P478 HydrophobicContact CD2-CG 3.83Å; L443-L489 HydrophobicContact CB-CD1 3.6Å; L443-L489 HydrophobicContact CD1-CD1 4.16Å
444S95.4Very high91.7Very high7 Ų725.2 Ų25.25%0.04915%0.145CC..Hα-helixtrans-62.4-41.2177.4-166.60000112.2S440 K441 A442 I446 L447 H448 T495 V498S440-S444 WeakPolarHBondContact O-CB 3.41Å; S440-S444 PolarHBondContact O-N 3.41Å; K441-S444 PolarHBondContact O-N 3.15Å; A442-S444 VanDerWaalsContact C-N 3.33Å; A442-S444 PolarHBondContact O-N 3.21Å; S444-I446 VanDerWaalsContact C-N 3.34Å; S444-I446 PolarHBondContact O-N 3.47Å; S444-L447 PolarHBondContact O-N 3.23Å; S444-H448 PolarHBondContact O-N 2.9Å; S444-H448 PolarHBondContact O-ND1 3.39Å; S444-T495 WeakPolarHBondContact OG-CG2 3.31Å; S444-T495 PolarHBondContact OG-O 3.39Å; S444-V498 WeakPolarHBondContact OG-CG2 3.15Å
445I96.5Very high92.7Very high1 Ų128.2 Ų28.21%0.00515%0.153CC..Hα-helixtrans-60.5-43.2174.7-65.7161.3000111.1T380 L383 L384 K441 A442 L443 L447 H448 L449 V498T380-I445 HydrophobicContact CG2-CD1 3.55Å; T380-I445 WeakPolarHBondContact O-CD1 3.15Å; L383-I445 HydrophobicContact CB-CG2 4.02Å; L384-I445 HydrophobicContact CB-CD1 3.82Å; L384-I445 HydrophobicContact CB-CG1 4.14Å; L384-I445 HydrophobicContact CD1-CG1 4.2Å; K441-I445 HydrophobicContact CG-CD1 4.25Å; K441-I445 VanDerWaalsContact O-CG1 3.29Å; K441-I445 WeakPolarHBondContact O-CG1 3.28Å; K441-I445 PolarHBondContact O-N 2.65Å; A442-I445 PolarHBondContact O-N 3.11Å; L443-I445 VanDerWaalsContact C-N 3.35Å; L443-I445 PolarHBondContact O-N 2.87Å; I445-L447 VanDerWaalsContact C-N 3.33Å; I445-L447 PolarHBondContact O-N 3.2Å; I445-H448 WeakPolarHBondContact O-CB 3.46Å; I445-H448 PolarHBondContact O-N 3.18Å; I445-H448 VanDerWaalsContact O-N 3.17Å; I445-L449 HydrophobicContact CG2-CD1 4.16Å; I445-L449 HydrophobicContact CG2-CG 4.45Å; I445-L449 WeakPolarHBondContact O-CG 3.15Å; I445-L449 PolarHBondContact O-N 3.11Å; I445-V498 HydrophobicContact CG1-CG1 3.83Å
446I97.3Very high93.1Very high1 Ų124.7 Ų24.71%0.00513%0.134CC..Hα-helixtrans-57.8-45.3176-71.4168.2000110.9L415 I422 A442 L443 S444 H448 L449 I450 F473L415-I446 HydrophobicContact CD1-CG2 3.88Å; I422-I446 HydrophobicContact CD1-CD1 4.08Å; I422-I446 HydrophobicContact CG1-CD1 3.58Å; A442-I446 WeakPolarHBondContact O-CG1 3.46Å; A442-I446 PolarHBondContact O-N 2.76Å; L443-I446 WeakPolarHBondContact O-CB 3.22Å; L443-I446 PolarHBondContact O-N 3.36Å; S444-I446 VanDerWaalsContact C-N 3.34Å; S444-I446 PolarHBondContact O-N 3.47Å; I446-H448 VanDerWaalsContact C-N 3.3Å; I446-H448 PolarHBondContact O-N 3.09Å; I446-L449 PolarHBondContact O-N 3.23Å; I446-L449 VanDerWaalsContact O-N 3.17Å; I446-I450 HydrophobicContact CG2-CD1 3.89Å; I446-I450 HydrophobicContact CG2-CG1 4.45Å; I446-I450 WeakPolarHBondContact O-CG1 3.43Å; I446-I450 PolarHBondContact O-N 2.74Å; I446-F473 HydrophobicContact CD1-CD2 4.17Å; I446-F473 HydrophobicContact CD1-CE2 3.73Å; I446-F473 HydrophobicContact CD1-CZ 4.2Å; I446-F473 HydrophobicContact CG2-CD1 4.25Å; I446-F473 HydrophobicContact CG2-CE1 3.88Å; I446-F473 HydrophobicContact CG2-CE2 4.39Å; I446-F473 HydrophobicContact CG2-CZ 3.95Å
447L97.3Very high93.4Very high0 Ų026 Ų260%014%0.143CC..Hα-helixtrans-62.6-37.5177.6-63.4-174.5000112.7L443 S444 I445 I450 C451 P486 L489 A490 T495 F506 V511 L515L443-L447 WeakPolarHBondContact O-CG 3.44Å; L443-L447 PolarHBondContact O-N 3.39Å; S444-L447 PolarHBondContact O-N 3.23Å; I445-L447 VanDerWaalsContact C-N 3.33Å; I445-L447 PolarHBondContact O-N 3.2Å; L447-I450 HydrophobicContact CD2-CD1 4.37Å; L447-I450 PolarHBondContact O-N 2.88Å; L447-C451 WeakPolarHBondContact O-CB 3.28Å; L447-C451 PolarHBondContact O-N 3.29Å; L447-P486 WeakPolarHBondContact CD1-O 3.25Å; L447-P486 HydrophobicContact CD2-CB 4.24Å; L447-L489 HydrophobicContact CD1-CB 3.48Å; L447-L489 VanDerWaalsContact CD1-CB 3.48Å; L447-A490 HydrophobicContact CD1-CB 4.19Å; L447-T495 HydrophobicContact CD1-CG2 4.25Å; L447-F506 HydrophobicContact CB-CE1 4.1Å; L447-F506 HydrophobicContact CB-CZ 3.7Å; L447-V511 HydrophobicContact CD2-CG1 4.04Å; L447-L515 HydrophobicContact CD2-CD1 3.82Å; L447-L515 HydrophobicContact CD2-CD2 4.25Å
448H97.1Very high93.7Very high2 Ų226 Ų261%0.00914%0.139CC..Hα-helixtrans-64.4-42.6173.9-76.486.1000111.9S444 I445 I446 C451 L452 T495 V498 V503 C504 F506S444-H448 PolarHBondContact O-N 2.9Å; S444-H448 PolarHBondContact O-ND1 3.39Å; I445-H448 WeakPolarHBondContact O-CB 3.46Å; I445-H448 PolarHBondContact O-N 3.18Å; I445-H448 VanDerWaalsContact O-N 3.17Å; I446-H448 VanDerWaalsContact C-N 3.3Å; I446-H448 PolarHBondContact O-N 3.09Å; H448-C451 WeakPolarHBondContact O-CB 3.43Å; H448-C451 PolarHBondContact O-N 2.99Å; H448-L452 WeakPolarHBondContact O-CG 3.49Å; H448-L452 PolarHBondContact O-N 3.06Å; H448-T495 PolarHBondContact CE1-O 3.04Å; H448-T495 VanDerWaalsContact CE1-O 3.31Å; H448-V498 WeakPolarHBondContact CE1-CG2 3.35Å; H448-V503 HydrophobicContact CB-CB 4.44Å; H448-V503 HydrophobicContact CB-CG1 3.81Å; H448-V503 VanDerWaalsContact CD2-CB 3.47Å; H448-V503 WeakPolarHBondContact CD2-CB 3.32Å; H448-C504 PolarHBondContact CD2-N 3.32Å; H448-C504 PolarHBondContact NE2-O 2.88Å; H448-F506 AromaticContact CD2-CE2 3.78Å; H448-F506 AromaticContact CE1-CD2 3.85Å; H448-F506 AromaticContact CE1-CE2 3.41Å; H448-F506 VanDerWaalsContact CE1-CE2 3.41Å; H448-F506 WeakPolarHBondContact CE1-CE2 3.36Å; H448-F506 AromaticContact CG-CE2 3.98Å; H448-F506 AromaticContact ND1-CE2 3.74Å; H448-F506 AromaticContact NE2-CD2 3.87Å; H448-F506 AromaticContact NE2-CE2 3.46Å; H448-F506 WeakPolarHBondContact NE2-CE2 3.26Å
449L96.9Very high94.1Very high0 Ų027.4 Ų27.40%015%0.151CC..Hα-helixtrans-63.9-41.8175.8-68.1170.5000111.8A387 L411 I414 L415 S418 I445 I446 C451 L452 L453A387-L449 HydrophobicContact CB-CD2 3.9Å; A387-L449 HydrophobicContact CB-CG 4.38Å; L411-L449 HydrophobicContact CD2-CD2 4.25Å; I414-L449 HydrophobicContact CG2-CD1 3.94Å; I414-L449 HydrophobicContact CG2-CD2 4.22Å; L415-L449 HydrophobicContact CD1-CB 4.22Å; S418-L449 VanDerWaalsContact OG-CD1 3.28Å; S418-L449 WeakPolarHBondContact OG-CD1 3.3Å; I445-L449 HydrophobicContact CG2-CD1 4.16Å; I445-L449 HydrophobicContact CG2-CG 4.45Å; I445-L449 WeakPolarHBondContact O-CG 3.15Å; I445-L449 PolarHBondContact O-N 3.11Å; I446-L449 PolarHBondContact O-N 3.23Å; I446-L449 VanDerWaalsContact O-N 3.17Å; L449-C451 VanDerWaalsContact C-N 3.34Å; L449-C451 PolarHBondContact O-N 2.9Å; L449-L452 PolarHBondContact O-N 2.92Å; L449-L453 PolarHBondContact O-N 3.07Å
450I97.2Very high94.3Very high0 Ų030.8 Ų30.80%018%0.181CC..Hα-helixtrans-59-46.8172.7-66.8167.8000110L415 I446 L447 L452 L453 E454 I470 V511 I514 L515L415-I450 HydrophobicContact CD1-CG1 4.04Å; L415-I450 HydrophobicContact CD2-CG1 4.26Å; I446-I450 HydrophobicContact CG2-CD1 3.89Å; I446-I450 HydrophobicContact CG2-CG1 4.45Å; I446-I450 WeakPolarHBondContact O-CG1 3.43Å; I446-I450 PolarHBondContact O-N 2.74Å; L447-I450 HydrophobicContact CD2-CD1 4.37Å; L447-I450 PolarHBondContact O-N 2.88Å; I450-L452 VanDerWaalsContact C-N 3.3Å; I450-L452 PolarHBondContact O-N 2.91Å; I450-L453 WeakPolarHBondContact O-CB 3.44Å; I450-L453 PolarHBondContact O-N 3.49Å; I450-E454 PolarHBondContact O-N 3.05Å; I450-E454 VanDerWaalsContact O-N 3.14Å; I450-I470 HydrophobicContact CD1-CD1 4.07Å; I450-I470 HydrophobicContact CD1-CG1 3.95Å; I450-I470 HydrophobicContact CG1-CD1 4.04Å; I450-I470 HydrophobicContact CG1-CG1 4.19Å; I450-I470 HydrophobicContact CG2-CD1 4.08Å; I450-V511 HydrophobicContact CG2-CG1 4.35Å; I450-I514 HydrophobicContact CG2-CG2 3.71Å; I450-L515 HydrophobicContact CD1-CD2 4.26Å
451C95.7Very high94.5Very high12 Ų1237.6 Ų37.68%0.08121%0.21CC..Hα-helixtrans-58.8-38.3176.3173.50000113.3L447 H448 L449 C504 V511L447-C451 WeakPolarHBondContact O-CB 3.28Å; L447-C451 PolarHBondContact O-N 3.29Å; H448-C451 WeakPolarHBondContact O-CB 3.43Å; H448-C451 PolarHBondContact O-N 2.99Å; L449-C451 VanDerWaalsContact C-N 3.34Å; L449-C451 PolarHBondContact O-N 2.9Å; C451-C504 HydrophobicContact CB-CB 3.74Å; C451-C504 WeakPolarHBondContact CB-SG 3.44Å; C451-C504 WeakPolarHBondContact SG-CB 3.4Å; C451-C504 CovalentContact SG-SG 2.04Å; C451-C504 PolarHBondContact SG-SG 3.39Å; C451-V511 HydrophobicContact CB-CG2 3.66Å
452L94.8Very high94.7Very high0 Ų036.2 Ų36.20%021%0.205CC..Hα-helixtrans-70.8-38.1176.5-66.3175.4000111.9A387 F390 L394 L411 H448 L449 I450 E454 K455 V503A387-L452 HydrophobicContact CB-CD1 4.46Å; A387-L452 WeakPolarHBondContact O-CD1 3.48Å; F390-L452 HydrophobicContact CB-CD1 3.99Å; L394-L452 HydrophobicContact CD1-CB 4.38Å; L394-L452 HydrophobicContact CD1-CD2 4.06Å; L411-L452 HydrophobicContact CD1-CB 4.36Å; L411-L452 HydrophobicContact CD2-CB 3.86Å; L411-L452 HydrophobicContact CD2-CD1 4.15Å; H448-L452 WeakPolarHBondContact O-CG 3.49Å; H448-L452 PolarHBondContact O-N 3.06Å; L449-L452 PolarHBondContact O-N 2.92Å; I450-L452 VanDerWaalsContact C-N 3.3Å; I450-L452 PolarHBondContact O-N 2.91Å; L452-E454 VanDerWaalsContact C-N 3.29Å; L452-E454 PolarHBondContact O-N 3.17Å; L452-K455 WeakPolarHBondContact O-CB 3.37Å; L452-K455 PolarHBondContact O-N 3.08Å; L452-V503 HydrophobicContact CD1-CG1 3.82Å; L452-V503 HydrophobicContact CD2-CG1 4.13Å; L452-V503 HydrophobicContact CG-CG1 4.05Å
453L94.9Very high94.8Very high1 Ų138 Ų381%0.00521%0.214CC..Hα-helixtrans-60.4-37.1175.8-83.4164.5000112.5F408 L411 M412 L415 L449 I450 K455 V456 K466F408-L453 HydrophobicContact CD2-CD2 3.77Å; F408-L453 HydrophobicContact CE2-CD2 3.82Å; L411-L453 HydrophobicContact CB-CD2 3.56Å; L411-L453 HydrophobicContact CB-CG 3.95Å; L411-L453 HydrophobicContact CD1-CD2 4.35Å; M412-L453 HydrophobicContact CB-CD2 4.44Å; M412-L453 HydrophobicContact SD-CD1 4.13Å; L415-L453 HydrophobicContact CB-CD1 4.19Å; L415-L453 HydrophobicContact CD2-CD1 3.46Å; L415-L453 VanDerWaalsContact CD2-CD1 3.46Å; L415-L453 HydrophobicContact CG-CD1 4.4Å; L449-L453 PolarHBondContact O-N 3.07Å; I450-L453 WeakPolarHBondContact O-CB 3.44Å; I450-L453 PolarHBondContact O-N 3.49Å; L453-K455 PolarHBondContact O-N 2.94Å; L453-K455 VanDerWaalsContact O-N 3.14Å; L453-V456 PolarHBondContact O-N 2.79Å; L453-K466 HydrophobicContact CB-CD 4.25Å; L453-K466 HydrophobicContact CD1-CG 4.48Å
454E93.2Very high94.8Very high71 Ų7143.9 Ų43.933%0.33224%0.241SC..THydrogen-bonded Turntrans-64.1-15.2175.1-66.8-57.6114.800113.7I450 L452 K466 T510 I514I450-E454 PolarHBondContact O-N 3.05Å; I450-E454 VanDerWaalsContact O-N 3.14Å; L452-E454 VanDerWaalsContact C-N 3.29Å; L452-E454 PolarHBondContact O-N 3.17Å; E454-K466 WeakPolarHBondContact OE1-CE 3.34Å; E454-K466 IonicContact OE1-NZ 2.84Å; E454-K466 PolarHBondContact OE1-NZ 3.25Å; E454-T510 HydrophobicContact CB-CG2 4.01Å; E454-T510 HydrophobicContact CG-CG2 3.81Å; E454-I514 WeakPolarHBondContact OE1-CD1 3.35Å
455K90.7Very high94.9Very high118 Ų11847.7 Ų47.751%0.51326%0.257SS..THydrogen-bonded Turntrans-93.3-6176.6-60175.2-175.2173.20113.1L394 L452 L453L394-K455 HydrophobicContact CD1-CB 4.45Å; L452-K455 WeakPolarHBondContact O-CB 3.37Å; L452-K455 PolarHBondContact O-N 3.08Å; L453-K455 PolarHBondContact O-N 2.94Å; L453-K455 VanDerWaalsContact O-N 3.14Å
456V90.1Very high94.9Very high11 Ų1147.8 Ų47.87%0.06726%0.258CS..SBendtrans-106.9131.7-177.1179.20000109.4L394 F408 L411 L453 C458L394-V456 HydrophobicContact CD1-CG2 4.21Å; L394-V456 HydrophobicContact CD2-CG2 3.92Å; F408-V456 HydrophobicContact CB-CG1 4.29Å; L411-V456 HydrophobicContact CD1-CG2 3.6Å; L453-V456 PolarHBondContact O-N 2.79Å; V456-C458 PolarHBondContact O-N 3.32Å
457P87.8Confident94.9Very high97 Ų9750.7 Ų50.763%0.6327%0.27SS*.  trans-62.8137.4177.127.2-34.6000110.2
458C91.4Very high94.9Very high51 Ų5155.2 Ų55.235%0.34529%0.291SS..  trans-136.6154.1178.558.40000111.4F408 V456 Q462F408-C458 HydrophobicContact CD2-CB 3.73Å; F408-C458 HydrophobicContact CE2-CB 3.96Å; F408-C458 HydrophobicContact CG-CB 4.45Å; V456-C458 PolarHBondContact O-N 3.32Å; C458-Q462 VanDerWaalsContact CA-OE1 3.29Å; C458-Q462 HydrophobicContact CB-CB 3.8Å
459T95.7Very high95Very high78 Ų7855.1 Ų55.148%0.47929%0.291SS..  trans-76.8166.3169.968.80000110.7E461 Q462 D463T459-E461 PolarHBondContact O-N 3.31Å; T459-Q462 PolarHBondContact O-N 2.89Å; T459-Q462 VanDerWaalsContact O-N 3.16Å; T459-Q462 WeakPolarHBondContact OG1-CG 3.2Å; T459-Q462 PolarHBondContact OG1-N 3.26Å; T459-D463 PolarHBondContact O-N 3.49Å
460A95.4Very high95Very high89 Ų8955.2 Ų55.274%0.73629%0.291SS*.Hα-helixtrans-59.7-35.6176.100000112.8D463 H464A460-D463 PolarHBondContact O-N 3.28Å; A460-H464 WeakPolarHBondContact O-CB 3.39Å; A460-H464 PolarHBondContact O-N 2.92Å
461E95.8Very high95Very high165 Ų16561.2 Ų61.277%0.77132%0.315SS*.Hα-helixtrans-66.7-42175.6-65.6176.4-179.600111.6T459 H464 F465T459-E461 PolarHBondContact O-N 3.31Å; E461-H464 PolarHBondContact O-N 2.98Å; E461-F465 PolarHBondContact O-N 3.38Å
462Q96.4Very high95.1Very high51 Ų5165.4 Ų65.424%0.23833%0.329CS..Hα-helixtrans-66.1-41.5175.4-74.5174.2-22.800111.9F408 C458 T459 H464 F465 K466F408-Q462 HydrophobicContact CD1-CB 3.92Å; F408-Q462 HydrophobicContact CD1-CG 3.68Å; F408-Q462 HydrophobicContact CD2-CB 4.34Å; F408-Q462 HydrophobicContact CE1-CB 3.57Å; F408-Q462 HydrophobicContact CE1-CG 3.65Å; F408-Q462 HydrophobicContact CE2-CB 4.02Å; F408-Q462 HydrophobicContact CG-CB 4.3Å; F408-Q462 HydrophobicContact CG-CG 4.31Å; F408-Q462 HydrophobicContact CZ-CB 3.64Å; F408-Q462 HydrophobicContact CZ-CG 4.25Å; F408-Q462 VanDerWaalsContact CZ-O 3.23Å; F408-Q462 WeakPolarHBondContact CZ-O 3.32Å; C458-Q462 VanDerWaalsContact CA-OE1 3.29Å; C458-Q462 HydrophobicContact CB-CB 3.8Å; T459-Q462 PolarHBondContact O-N 2.89Å; T459-Q462 VanDerWaalsContact O-N 3.16Å; T459-Q462 WeakPolarHBondContact OG1-CG 3.2Å; T459-Q462 PolarHBondContact OG1-N 3.26Å; Q462-H464 VanDerWaalsContact C-N 3.32Å; Q462-H464 PolarHBondContact O-N 3.5Å; Q462-F465 PolarHBondContact O-N 3.25Å; Q462-K466 WeakPolarHBondContact O-CB 3.37Å; Q462-K466 PolarHBondContact O-N 2.89Å
463D95.3Very high95.1Very high42 Ų4265.4 Ų65.423%0.22533%0.329CS..Hα-helixtrans-60.6-43.1174.1-172.863.3000111.4T459 A460 K466 K467T459-D463 PolarHBondContact O-N 3.49Å; A460-D463 PolarHBondContact O-N 3.28Å; D463-K466 PolarHBondContact O-N 3.42Å; D463-K466 WeakPolarHBondContact OD1-CE 3.39Å; D463-K466 IonicContact OD1-NZ 2.63Å; D463-K466 PolarHBondContact OD1-NZ 2.97Å; D463-K467 WeakPolarHBondContact O-CG 3.41Å; D463-K467 PolarHBondContact O-N 2.92Å; D463-K467 WeakPolarHBondContact OD2-CE 3.33Å; D463-K467 IonicContact OD2-NZ 3.67Å; D463-K467 PolarHBondContact OD2-NZ 3.26Å
464H96.5Very high95.2Very high125 Ų12566.3 Ų66.358%0.57933%0.333SS*.Hα-helixtrans-60.2-48.1175.3-175.774.1000111.8A460 E461 Q462 K466 K467 E468A460-H464 WeakPolarHBondContact O-CB 3.39Å; A460-H464 PolarHBondContact O-N 2.92Å; E461-H464 PolarHBondContact O-N 2.98Å; Q462-H464 VanDerWaalsContact C-N 3.32Å; Q462-H464 PolarHBondContact O-N 3.5Å; H464-K466 PolarHBondContact O-N 2.9Å; H464-K467 PolarHBondContact O-N 3.46Å; H464-E468 WeakPolarHBondContact O-CB 3.45Å; H464-E468 PolarHBondContact O-N 3.02Å
465F97.3Very high95.3Very high86 Ų8670.2 Ų70.238%0.37735%0.349SS..Hα-helixtrans-62-40.6179179.5-121.8000113M412 E461 Q462 E468 T469M412-F465 HydrophobicContact CE-CD1 3.79Å; M412-F465 HydrophobicContact CE-CE1 3.61Å; M412-F465 HydrophobicContact CE-CG 4.47Å; M412-F465 HydrophobicContact CE-CZ 4.14Å; M412-F465 HydrophobicContact CG-CD1 3.7Å; M412-F465 HydrophobicContact CG-CE1 3.48Å; M412-F465 VanDerWaalsContact CG-CE1 3.48Å; M412-F465 HydrophobicContact SD-CD1 4.28Å; M412-F465 HydrophobicContact SD-CE1 4.32Å; E461-F465 PolarHBondContact O-N 3.38Å; Q462-F465 PolarHBondContact O-N 3.25Å; F465-E468 PolarHBondContact O-N 3.41Å; F465-T469 PolarHBondContact O-N 3.26Å; F465-T469 PolarHBondContact O-OG1 3.41Å; F465-T469 VanDerWaalsContact O-OG1 3.08Å
466K96.8Very high95.3Very high4 Ų466.9 Ų66.92%0.01734%0.337CS..Hα-helixtrans-57.6-51.8171.8173.1-170.863179.70110.6F408 M412 L453 E454 Q462 D463 H464 E468 T469 I470 I514F408-K466 HydrophobicContact CE2-CB 4.35Å; F408-K466 HydrophobicContact CZ-CB 4.18Å; M412-K466 HydrophobicContact SD-CB 4.19Å; L453-K466 HydrophobicContact CB-CD 4.25Å; L453-K466 HydrophobicContact CD1-CG 4.48Å; E454-K466 WeakPolarHBondContact OE1-CE 3.34Å; E454-K466 IonicContact OE1-NZ 2.84Å; E454-K466 PolarHBondContact OE1-NZ 3.25Å; Q462-K466 WeakPolarHBondContact O-CB 3.37Å; Q462-K466 PolarHBondContact O-N 2.89Å; D463-K466 PolarHBondContact O-N 3.42Å; D463-K466 WeakPolarHBondContact OD1-CE 3.39Å; D463-K466 IonicContact OD1-NZ 2.63Å; D463-K466 PolarHBondContact OD1-NZ 2.97Å; H464-K466 PolarHBondContact O-N 2.9Å; K466-E468 PolarHBondContact O-N 2.92Å; K466-T469 PolarHBondContact O-N 3.14Å; K466-I470 HydrophobicContact CG-CD1 3.95Å; K466-I470 WeakPolarHBondContact O-CG1 3.43Å; K466-I470 PolarHBondContact O-N 2.96Å; K466-I514 HydrophobicContact CD-CD1 4.01Å; K466-I514 HydrophobicContact CG-CD1 4.45Å
467K97.3Very high95.4Very high62 Ų6274.1 Ų74.127%0.2737%0.37SS..Hα-helixtrans-63.1-39.5179.7-73.2177173.6170.40112.6D463 H464 T469 I470 Y471 I514 E517D463-K467 WeakPolarHBondContact O-CG 3.41Å; D463-K467 PolarHBondContact O-N 2.92Å; D463-K467 WeakPolarHBondContact OD2-CE 3.33Å; D463-K467 IonicContact OD2-NZ 3.67Å; D463-K467 PolarHBondContact OD2-NZ 3.26Å; H464-K467 PolarHBondContact O-N 3.46Å; K467-T469 VanDerWaalsContact C-N 3.33Å; K467-T469 PolarHBondContact O-N 3.42Å; K467-I470 PolarHBondContact O-N 3.19Å; K467-Y471 WeakPolarHBondContact O-CB 3.22Å; K467-Y471 PolarHBondContact O-N 3.38Å; K467-I514 HydrophobicContact CG-CD1 4.41Å; K467-E517 WeakPolarHBondContact CE-OE2 3.17Å; K467-E517 IonicContact NZ-OE2 2.76Å; K467-E517 PolarHBondContact NZ-OE2 3.39Å
468E97.5Very high95.5Very high94 Ų9469.9 Ų69.944%0.43934%0.342SS..Hα-helixtrans-60.5-43.3175-174.2-172.9-174.800111.7H464 F465 K466 Y471 R472H464-E468 WeakPolarHBondContact O-CB 3.45Å; H464-E468 PolarHBondContact O-N 3.02Å; F465-E468 PolarHBondContact O-N 3.41Å; K466-E468 PolarHBondContact O-N 2.92Å; E468-Y471 PolarHBondContact O-N 2.83Å; E468-R472 WeakPolarHBondContact O-CG 3.02Å; E468-R472 PolarHBondContact O-N 3.34Å
469T97.7Very high95.3Very high1 Ų170.3 Ų70.31%0.00635%0.346CS..Hα-helixtrans-68-40.4178.5-63.20000111.6M412 L415 V419 F465 K466 K467 R472 F473M412-T469 VanDerWaalsContact CE-CB 3.42Å; M412-T469 HydrophobicContact CE-CG2 3.72Å; M412-T469 WeakPolarHBondContact CE-OG1 3.24Å; L415-T469 HydrophobicContact CG-CG2 4.46Å; V419-T469 HydrophobicContact CG2-CG2 4.09Å; F465-T469 PolarHBondContact O-N 3.26Å; F465-T469 PolarHBondContact O-OG1 3.41Å; F465-T469 VanDerWaalsContact O-OG1 3.08Å; K466-T469 PolarHBondContact O-N 3.14Å; K467-T469 VanDerWaalsContact C-N 3.33Å; K467-T469 PolarHBondContact O-N 3.42Å; T469-R472 PolarHBondContact O-N 2.99Å; T469-F473 WeakPolarHBondContact O-CB 3.33Å; T469-F473 PolarHBondContact O-N 2.94Å
470I97.8Very high94.9Very high2 Ų267 Ų671%0.0133%0.326CS..Hα-helixtrans-64.6-42.4174.3-64.6169000110.6I450 K466 K467 F473 L474 I514 L515 C518I450-I470 HydrophobicContact CD1-CD1 4.07Å; I450-I470 HydrophobicContact CD1-CG1 3.95Å; I450-I470 HydrophobicContact CG1-CD1 4.04Å; I450-I470 HydrophobicContact CG1-CG1 4.19Å; I450-I470 HydrophobicContact CG2-CD1 4.08Å; K466-I470 HydrophobicContact CG-CD1 3.95Å; K466-I470 WeakPolarHBondContact O-CG1 3.43Å; K466-I470 PolarHBondContact O-N 2.96Å; K467-I470 PolarHBondContact O-N 3.19Å; I470-F473 WeakPolarHBondContact O-CB 3.45Å; I470-F473 PolarHBondContact O-N 3.47Å; I470-L474 HydrophobicContact CG2-CD1 3.92Å; I470-L474 HydrophobicContact CG2-CG 4.36Å; I470-L474 WeakPolarHBondContact O-CG 3.46Å; I470-L474 PolarHBondContact O-N 3.49Å; I470-I514 HydrophobicContact CD1-CD1 3.63Å; I470-I514 HydrophobicContact CD1-CG1 3.93Å; I470-L515 HydrophobicContact CG2-CD2 3.94Å; I470-C518 HydrophobicContact CB-CB 4.18Å; I470-C518 HydrophobicContact CG2-CB 3.63Å
471Y97.4Very high94.4Very high126 Ų12668.6 Ų68.649%0.49432%0.317SS..Hα-helixtrans-60.3-46.4175.4173.2-100.8000111.8K467 E468 F473 L474 K475 C518K467-Y471 WeakPolarHBondContact O-CB 3.22Å; K467-Y471 PolarHBondContact O-N 3.38Å; E468-Y471 PolarHBondContact O-N 2.83Å; Y471-F473 VanDerWaalsContact C-N 3.32Å; Y471-F473 PolarHBondContact O-N 3.07Å; Y471-L474 PolarHBondContact O-N 3.32Å; Y471-K475 HydrophobicContact CE1-CD 4.43Å; Y471-K475 WeakPolarHBondContact O-CB 3.31Å; Y471-K475 PolarHBondContact O-N 3.21Å; Y471-C518 WeakPolarHBondContact CD2-O 3.36Å
472R96.4Very high93.8Very high100 Ų10064.4 Ų64.438%0.37730%0.3SS..Hα-helixtrans-57.5-45.2174.3-81.3174.742.7-173.7-10.3112E423 E468 T469 K475E423-R472 IonicContact OE1-CZ 3.7Å; E423-R472 IonicContact OE1-NE 3.93Å; E423-R472 IonicContact OE1-NH2 3.65Å; E423-R472 PolarHBondContact OE1-NH2 3.28Å; E423-R472 IonicContact OE2-NH2 2.79Å; E468-R472 WeakPolarHBondContact O-CG 3.02Å; E468-R472 PolarHBondContact O-N 3.34Å; T469-R472 PolarHBondContact O-N 2.99Å; R472-K475 PolarHBondContact O-N 2.83Å
473F96.4Very high93.4Very high0 Ų062.3 Ų62.30%029%0.291CS..Hα-helixtrans-58.5-48175.8161.6-117.3000112V419 I422 L443 I446 T469 I470 Y471 K475 L476 P478 P486V419-F473 HydrophobicContact CB-CB 4.48Å; V419-F473 HydrophobicContact CG1-CB 3.83Å; V419-F473 HydrophobicContact CG2-CB 3.8Å; V419-F473 HydrophobicContact CG2-CD2 4.34Å; V419-F473 HydrophobicContact CG2-CG 4.19Å; I422-F473 HydrophobicContact CG1-CD2 4.39Å; I422-F473 HydrophobicContact CG1-CE2 4.16Å; L443-F473 HydrophobicContact CD2-CE2 3.52Å; L443-F473 HydrophobicContact CD2-CZ 3.61Å; I446-F473 HydrophobicContact CD1-CD2 4.17Å; I446-F473 HydrophobicContact CD1-CE2 3.73Å; I446-F473 HydrophobicContact CD1-CZ 4.2Å; I446-F473 HydrophobicContact CG2-CD1 4.25Å; I446-F473 HydrophobicContact CG2-CE1 3.88Å; I446-F473 HydrophobicContact CG2-CE2 4.39Å; I446-F473 HydrophobicContact CG2-CZ 3.95Å; T469-F473 WeakPolarHBondContact O-CB 3.33Å; T469-F473 PolarHBondContact O-N 2.94Å; I470-F473 WeakPolarHBondContact O-CB 3.45Å; I470-F473 PolarHBondContact O-N 3.47Å; Y471-F473 VanDerWaalsContact C-N 3.32Å; Y471-F473 PolarHBondContact O-N 3.07Å; F473-K475 VanDerWaalsContact C-N 3.34Å; F473-K475 PolarHBondContact O-N 3.43Å; F473-L476 WeakPolarHBondContact O-CB 3.34Å; F473-L476 PolarHBondContact O-N 2.93Å; F473-P478 HydrophobicContact CD2-CG 4.23Å; F473-P478 HydrophobicContact CE2-CB 4.45Å; F473-P478 HydrophobicContact CE2-CG 3.63Å; F473-P478 HydrophobicContact CZ-CG 3.99Å; F473-P486 HydrophobicContact CE1-CB 3.92Å; F473-P486 HydrophobicContact CE1-CG 3.7Å; F473-P486 HydrophobicContact CE2-CG 4.5Å; F473-P486 HydrophobicContact CZ-CB 4.08Å; F473-P486 HydrophobicContact CZ-CG 3.51Å
474L96.1Very high93.2Very high19 Ų1961.5 Ų61.510%0.09929%0.286CS..Hα-helixtrans-66.8-33.9179.7-71.3171.2000112.8I470 Y471 L476 Q477 P486 L515 C518 A520I470-L474 HydrophobicContact CG2-CD1 3.92Å; I470-L474 HydrophobicContact CG2-CG 4.36Å; I470-L474 WeakPolarHBondContact O-CG 3.46Å; I470-L474 PolarHBondContact O-N 3.49Å; Y471-L474 PolarHBondContact O-N 3.32Å; L474-L476 PolarHBondContact O-N 3.24Å; L474-L476 VanDerWaalsContact O-N 3.16Å; L474-Q477 PolarHBondContact O-N 3.41Å; L474-P486 HydrophobicContact CD2-CB 4.12Å; L474-P486 HydrophobicContact CD2-CG 4.05Å; L474-L515 HydrophobicContact CD1-CD2 4.27Å; L474-L515 WeakPolarHBondContact CD1-O 3.48Å; L474-L515 HydrophobicContact CD2-CD2 4.24Å; L474-C518 HydrophobicContact CD1-CB 3.85Å; L474-C518 WeakPolarHBondContact CD1-O 3.48Å; L474-A520 HydrophobicContact CD1-CB 4Å; L474-A520 HydrophobicContact CD2-CB 4.13Å
475K95.1Very high93Very high153 Ų15356.6 Ų56.667%0.66527%0.265SS*.Hα-helixtrans-61.3-21.7176.6-170.9176.9178.9-177.20113.3Y471 R472 F473 Q477Y471-K475 HydrophobicContact CE1-CD 4.43Å; Y471-K475 WeakPolarHBondContact O-CB 3.31Å; Y471-K475 PolarHBondContact O-N 3.21Å; R472-K475 PolarHBondContact O-N 2.83Å; F473-K475 VanDerWaalsContact C-N 3.34Å; F473-K475 PolarHBondContact O-N 3.43Å; K475-Q477 PolarHBondContact O-N 2.87Å
476L91.9Very high93Very high48 Ų4852.7 Ų52.725%0.25125%0.248SC..THydrogen-bonded Turntrans-72-10.7173.6-57.1170.4000113.1I422 E423 F473 L474I422-L476 HydrophobicContact CB-CD1 4.18Å; I422-L476 HydrophobicContact CG2-CD1 3.77Å; E423-L476 HydrophobicContact CB-CD1 4.4Å; E423-L476 HydrophobicContact CG-CD1 3.57Å; E423-L476 HydrophobicContact CG-CD2 4.25Å; E423-L476 HydrophobicContact CG-CG 4.48Å; F473-L476 WeakPolarHBondContact O-CB 3.34Å; F473-L476 PolarHBondContact O-N 2.93Å; L474-L476 PolarHBondContact O-N 3.24Å; L474-L476 VanDerWaalsContact O-N 3.16Å
477Q91.4Very high92.9Very high163 Ų16352.6 Ų52.676%0.76225%0.248SC*.  trans49.449.6-174.6-60.3-177.4-25.900113.2L474 K475 C479L474-Q477 PolarHBondContact O-N 3.41Å; K475-Q477 PolarHBondContact O-N 2.87Å; Q477-C479 PolarHBondContact O-N 2.89Å; Q477-C479 PolarHBondContact O-SG 2.94Å
478P89.6Confident92.8Very high8 Ų849.6 Ų49.65%0.05224%0.235CC..  trans-69.7131.7-174.630.4-33.7000110.7I422 L443 F473 P486I422-P478 HydrophobicContact CG2-CB 3.98Å; L443-P478 HydrophobicContact CD1-CB 4.33Å; L443-P478 HydrophobicContact CD2-CB 3.65Å; L443-P478 HydrophobicContact CD2-CG 3.83Å; F473-P478 HydrophobicContact CD2-CG 4.23Å; F473-P478 HydrophobicContact CE2-CB 4.45Å; F473-P478 HydrophobicContact CE2-CG 3.63Å; F473-P478 HydrophobicContact CZ-CG 3.99Å; P478-P486 HydrophobicContact CG-CG 3.88Å; P478-P486 WeakPolarHBondContact O-CD 3.38Å
479C87.9Confident92.7Very high61 Ų6145.9 Ų45.941%0.41222%0.218SC..  trans-123123.3179.1-63.50000109.5L439 Q477L439-C479 WeakPolarHBondContact CD2-O 3.27Å; Q477-C479 PolarHBondContact O-N 2.89Å; Q477-C479 PolarHBondContact O-SG 2.94Å
480G86.2Confident92.6Very high7 Ų745.8 Ų45.87%0.07222%0.217CC..  trans-79.4-154.5174.800000112.5S440 G483 F484S440-G480 WeakPolarHBondContact OG-CA 3.48Å; G480-G483 PolarHBondContact O-N 3.35Å; G480-F484 PolarHBondContact N-O 3.1Å
481K85Confident92.4Very high124 Ų12445.7 Ų45.754%0.53922%0.217SC..G310 helixtrans-59.6139.7174.1-175.8177.8179.7-177.20109.6P436 S440 G483 F484P436-K481 HydrophobicContact CB-CB 4.41Å; P436-K481 PolarHBondContact O-N 2.7Å; S440-K481 VanDerWaalsContact OG-CB 3.3Å; S440-K481 WeakPolarHBondContact OG-CB 3.35Å; S440-K481 PolarHBondContact OG-N 2.66Å; K481-G483 PolarHBondContact O-N 3.46Å; K481-F484 PolarHBondContact O-N 3.46Å
482N84.4Confident92.2Very high77 Ų7740.6 Ų40.641%0.41220%0.198SC..G310 helixtrans56.528.7-176.9-51.2-11.6000112.8F484 D526 E527N482-F484 VanDerWaalsContact C-N 3.26Å; N482-F484 HydrophobicContact CB-CD1 4.1Å; N482-F484 HydrophobicContact CB-CE1 4.23Å; N482-F484 PolarHBondContact O-N 2.9Å; N482-D526 VanDerWaalsContact O-CB 3.31Å; N482-D526 WeakPolarHBondContact O-CB 3.45Å; N482-E527 PolarHBondContact O-N 3.38Å
483G86.6Confident91.9Very high6 Ų643.1 Ų43.16%0.06221%0.208CC..G310 helixtrans71.214.218000000115.3G480 K481 T485G480-G483 PolarHBondContact O-N 3.35Å; K481-G483 PolarHBondContact O-N 3.46Å; G483-T485 PolarHBondContact O-N 2.88Å; G483-T485 VanDerWaalsContact O-N 3.13Å
484F90.9Very high91.5Very high26 Ų2648 Ų4811%0.11423%0.234CC..  trans-65.1116.4-178.2-87.640.7000111.3G480 K481 N482 H488 L489 D526 I538G480-F484 PolarHBondContact N-O 3.1Å; K481-F484 PolarHBondContact O-N 3.46Å; N482-F484 VanDerWaalsContact C-N 3.26Å; N482-F484 HydrophobicContact CB-CD1 4.1Å; N482-F484 HydrophobicContact CB-CE1 4.23Å; N482-F484 PolarHBondContact O-N 2.9Å; F484-H488 HydrophobicContact CB-CB 4.15Å; F484-H488 HydrophobicContact CD2-CB 3.87Å; F484-H488 HydrophobicContact CE2-CB 4.44Å; F484-H488 HydrophobicContact CG-CB 3.99Å; F484-L489 HydrophobicContact CB-CD2 4.31Å; F484-L489 HydrophobicContact CB-CG 4.3Å; F484-L489 HydrophobicContact CD2-CD2 3.92Å; F484-L489 HydrophobicContact CD2-CG 4.43Å; F484-D526 HydrophobicContact CD1-CB 3.72Å; F484-D526 HydrophobicContact CE1-CB 3.73Å; F484-D526 VanDerWaalsContact CE1-OD2 3.25Å; F484-D526 WeakPolarHBondContact CE1-OD2 3.34Å; F484-I538 HydrophobicContact CE1-CD1 4.43Å; F484-I538 HydrophobicContact CE2-CD1 3.81Å; F484-I538 HydrophobicContact CZ-CD1 3.7Å
485T93.9Very high91.2Very high22 Ų2247.3 Ų47.314%0.13523%0.231CC..  trans-76.8166.3172.274.70000111G483 L487 H488 L489 S524G483-T485 PolarHBondContact O-N 2.88Å; G483-T485 VanDerWaalsContact O-N 3.13Å; T485-L487 PolarHBondContact O-N 3.44Å; T485-L487 VanDerWaalsContact O-N 3.13Å; T485-L487 PolarHBondContact OG1-N 2.89Å; T485-H488 PolarHBondContact N-ND1 2.71Å; T485-H488 WeakPolarHBondContact O-CB 3.45Å; T485-H488 PolarHBondContact O-N 3.34Å; T485-H488 PolarHBondContact OG1-N 3.46Å; T485-H488 PolarHBondContact OG1-ND1 2.97Å; T485-L489 PolarHBondContact O-N 3.43Å; T485-L489 VanDerWaalsContact O-N 3.1Å; T485-S524 PolarHBondContact OG1-OG 3.41Å
486P95.8Very high90.8Very high4 Ų441.9 Ų41.93%0.02621%0.21CC..Hα-helixtrans-54.9-31.4174.6-28.337.5000113.3L447 F473 L474 P478 L489 A490 L515L447-P486 WeakPolarHBondContact CD1-O 3.25Å; L447-P486 HydrophobicContact CD2-CB 4.24Å; F473-P486 HydrophobicContact CE1-CB 3.92Å; F473-P486 HydrophobicContact CE1-CG 3.7Å; F473-P486 HydrophobicContact CE2-CG 4.5Å; F473-P486 HydrophobicContact CZ-CB 4.08Å; F473-P486 HydrophobicContact CZ-CG 3.51Å; L474-P486 HydrophobicContact CD2-CB 4.12Å; L474-P486 HydrophobicContact CD2-CG 4.05Å; P478-P486 HydrophobicContact CG-CG 3.88Å; P478-P486 WeakPolarHBondContact O-CD 3.38Å; P486-L489 PolarHBondContact O-N 2.88Å; P486-A490 WeakPolarHBondContact O-CB 3.27Å; P486-A490 PolarHBondContact O-N 3.21Å; P486-L515 HydrophobicContact CB-CD1 4.39Å
487L96.1Very high90.3Very high1 Ų144.9 Ų44.91%0.00523%0.234CC..Hα-helixtrans-71.6-40.2176.8-173.260.2000112.1T485 L489 A490 V491 A512 L516 A520 P535 L551T485-L487 PolarHBondContact O-N 3.44Å; T485-L487 VanDerWaalsContact O-N 3.13Å; T485-L487 PolarHBondContact OG1-N 2.89Å; L487-L489 VanDerWaalsContact C-N 3.31Å; L487-L489 PolarHBondContact O-N 2.95Å; L487-A490 PolarHBondContact O-N 3.07Å; L487-V491 WeakPolarHBondContact O-CG2 3.26Å; L487-V491 PolarHBondContact O-N 3.33Å; L487-A512 HydrophobicContact CD1-CB 4.31Å; L487-L516 HydrophobicContact CD1-CD2 4.41Å; L487-L516 HydrophobicContact CD1-CG 4.27Å; L487-L516 HydrophobicContact CD2-CD2 3.8Å; L487-A520 HydrophobicContact CB-CB 4.37Å; L487-A520 HydrophobicContact CD2-CB 4.39Å; L487-P535 HydrophobicContact CB-CG 4.39Å; L487-P535 HydrophobicContact CD2-CB 4.22Å; L487-P535 HydrophobicContact CD2-CG 3.93Å; L487-P535 HydrophobicContact CG-CB 4.02Å; L487-P535 HydrophobicContact CG-CG 3.95Å; L487-L551 HydrophobicContact CD1-CD2 4.26Å; L487-L551 HydrophobicContact CD2-CD2 4Å; L487-L551 HydrophobicContact CG-CD2 4.36Å
488H94.8Very high89.7Confident0 Ų038.1 Ų38.10%020%0.204CC..Hα-helixtrans-58.1-45.7172.4-69.285.9000110.8F484 T485 V491 D492 S524 R533 P535 I538F484-H488 HydrophobicContact CB-CB 4.15Å; F484-H488 HydrophobicContact CD2-CB 3.87Å; F484-H488 HydrophobicContact CE2-CB 4.44Å; F484-H488 HydrophobicContact CG-CB 3.99Å; T485-H488 PolarHBondContact N-ND1 2.71Å; T485-H488 WeakPolarHBondContact O-CB 3.45Å; T485-H488 PolarHBondContact O-N 3.34Å; T485-H488 PolarHBondContact OG1-N 3.46Å; T485-H488 PolarHBondContact OG1-ND1 2.97Å; H488-V491 WeakPolarHBondContact O-CG2 3.44Å; H488-V491 PolarHBondContact O-N 3.06Å; H488-D492 WeakPolarHBondContact O-CB 3.19Å; H488-D492 PolarHBondContact O-N 2.84Å; H488-D492 VanDerWaalsContact O-N 3.07Å; H488-S524 PolarHBondContact CE1-OG 2.81Å; H488-S524 VanDerWaalsContact CE1-OG 3.26Å; H488-R533 PolarHBondContact NE2-O 2.99Å; H488-P535 WeakPolarHBondContact NE2-CD 3.36Å; H488-I538 HydrophobicContact CB-CD1 4.07Å
489L94.2Very high89.1Confident15 Ų1539.6 Ų39.68%0.07922%0.221CC..Hα-helixtrans-64.9-39.5178.3-67.7172.1000112.1L443 L447 F484 T485 P486 L487 V491 D492 T495L443-L489 HydrophobicContact CB-CD1 3.6Å; L443-L489 HydrophobicContact CD1-CD1 4.16Å; L447-L489 HydrophobicContact CD1-CB 3.48Å; L447-L489 VanDerWaalsContact CD1-CB 3.48Å; F484-L489 HydrophobicContact CB-CD2 4.31Å; F484-L489 HydrophobicContact CB-CG 4.3Å; F484-L489 HydrophobicContact CD2-CD2 3.92Å; F484-L489 HydrophobicContact CD2-CG 4.43Å; T485-L489 PolarHBondContact O-N 3.43Å; T485-L489 VanDerWaalsContact O-N 3.1Å; P486-L489 PolarHBondContact O-N 2.88Å; L487-L489 VanDerWaalsContact C-N 3.31Å; L487-L489 PolarHBondContact O-N 2.95Å; L489-V491 PolarHBondContact O-N 3.14Å; L489-D492 PolarHBondContact O-N 3.5Å; L489-T495 WeakPolarHBondContact CA-OG1 3.44Å; L489-T495 HydrophobicContact CB-CG2 4.16Å; L489-T495 VanDerWaalsContact O-CB 3.22Å; L489-T495 WeakPolarHBondContact O-CB 3.36Å; L489-T495 WeakPolarHBondContact O-CG2 3.14Å; L489-T495 PolarHBondContact O-OG1 3.28Å
490A96Very high88.7Confident0 Ų046.7 Ų46.70%024%0.239CC..Hα-helixtrans-64.2-22.7178.600000113.5L447 P486 L487 F506 P507 S508 V511 L515L447-A490 HydrophobicContact CD1-CB 4.19Å; P486-A490 WeakPolarHBondContact O-CB 3.27Å; P486-A490 PolarHBondContact O-N 3.21Å; L487-A490 PolarHBondContact O-N 3.07Å; A490-F506 WeakPolarHBondContact O-CD1 3.14Å; A490-P507 WeakPolarHBondContact O-CA 3.21Å; A490-S508 PolarHBondContact O-N 3.36Å; A490-V511 HydrophobicContact CB-CG1 4.08Å; A490-L515 HydrophobicContact CB-CD1 3.71Å
491V94.2Very high88.5Confident0 Ų053.1 Ų53.10%026%0.262CS..THydrogen-bonded Turntrans-107.72.5179.4-51.60000113.7L487 H488 L489 P507 A512 P535 I538 A539 N542 I547L487-V491 WeakPolarHBondContact O-CG2 3.26Å; L487-V491 PolarHBondContact O-N 3.33Å; H488-V491 WeakPolarHBondContact O-CG2 3.44Å; H488-V491 PolarHBondContact O-N 3.06Å; L489-V491 PolarHBondContact O-N 3.14Å; V491-P507 WeakPolarHBondContact O-CG 3.4Å; V491-A512 HydrophobicContact CG1-CB 4.34Å; V491-P535 HydrophobicContact CG2-CB 4.02Å; V491-P535 WeakPolarHBondContact CG2-O 3.47Å; V491-I538 HydrophobicContact CG2-CB 4.03Å; V491-I538 HydrophobicContact CG2-CG2 4Å; V491-I538 WeakPolarHBondContact O-CG2 3.44Å; V491-A539 HydrophobicContact CB-CB 4.32Å; V491-N542 PolarHBondContact O-ND2 3.12Å; V491-I547 HydrophobicContact CB-CG2 4.19Å; V491-I547 HydrophobicContact CG1-CG2 3.5Å; V491-I547 VanDerWaalsContact CG1-CG2 3.5Å
492D92.6Very high88.4Confident19 Ų1951.7 Ų51.710%0.10227%0.265CS..  trans-96.6138175.3-173.940.1000112.5H488 L489 N494 T495 F506 I538H488-D492 WeakPolarHBondContact O-CB 3.19Å; H488-D492 PolarHBondContact O-N 2.84Å; H488-D492 VanDerWaalsContact O-N 3.07Å; L489-D492 PolarHBondContact O-N 3.5Å; D492-N494 PolarHBondContact OD1-ND2 2.89Å; D492-N494 WeakPolarHBondContact OD2-CB 3.42Å; D492-N494 PolarHBondContact OD2-N 3.38Å; D492-N494 PolarHBondContact OD2-ND2 3.2Å; D492-T495 WeakPolarHBondContact O-CB 3.48Å; D492-T495 PolarHBondContact O-OG1 2.88Å; D492-F506 VanDerWaalsContact O-CB 3.3Å; D492-F506 WeakPolarHBondContact O-CB 3.09Å; D492-I538 HydrophobicContact CB-CG2 3.89Å
493R90.3Very high88.6Confident152 Ų15248.5 Ų48.557%0.57425%0.248SC*.SBendtrans-70.8-31179.267.9-178.8-178.4-161.1-2.3113.1T495 T496 F506 N542R493-T495 PolarHBondContact O-N 3.31Å; R493-T496 WeakPolarHBondContact O-CB 3.41Å; R493-T496 PolarHBondContact O-N 3.24Å; R493-T496 PolarHBondContact O-OG1 3.17Å; R493-T496 VanDerWaalsContact O-OG1 3.12Å; R493-F506 WeakPolarHBondContact CA-O 3.15Å; R493-N542 VanDerWaalsContact CD-OD1 3.3Å; R493-N542 WeakPolarHBondContact CD-OD1 3.31Å; R493-N542 WeakPolarHBondContact CG-OD1 3.28Å; R493-N542 PolarHBondContact N-ND2 3.33Å
494N88.1Confident88.8Confident102 Ų10248.4 Ų48.455%0.54525%0.247SC..G310 helixtrans-72.4-20.5-176.1-47.5-59000111.8D492 T496 C497D492-N494 PolarHBondContact OD1-ND2 2.89Å; D492-N494 WeakPolarHBondContact OD2-CB 3.42Å; D492-N494 PolarHBondContact OD2-N 3.38Å; D492-N494 PolarHBondContact OD2-ND2 3.2Å; N494-T496 PolarHBondContact O-N 3.48Å; N494-T496 VanDerWaalsContact O-N 3.13Å; N494-C497 PolarHBondContact O-N 3.48Å
495T89.6Confident88.8Confident6 Ų655.5 Ų55.54%0.03728%0.278CS..G310 helixtrans-54.9-29.9173.1-54.60000112S444 L447 H448 L489 D492 R493 C497 V498 F506S444-T495 WeakPolarHBondContact OG-CG2 3.31Å; S444-T495 PolarHBondContact OG-O 3.39Å; L447-T495 HydrophobicContact CD1-CG2 4.25Å; H448-T495 PolarHBondContact CE1-O 3.04Å; H448-T495 VanDerWaalsContact CE1-O 3.31Å; L489-T495 WeakPolarHBondContact CA-OG1 3.44Å; L489-T495 HydrophobicContact CB-CG2 4.16Å; L489-T495 VanDerWaalsContact O-CB 3.22Å; L489-T495 WeakPolarHBondContact O-CB 3.36Å; L489-T495 WeakPolarHBondContact O-CG2 3.14Å; L489-T495 PolarHBondContact O-OG1 3.28Å; D492-T495 WeakPolarHBondContact O-CB 3.48Å; D492-T495 PolarHBondContact O-OG1 2.88Å; R493-T495 PolarHBondContact O-N 3.31Å; T495-C497 PolarHBondContact O-N 2.81Å; T495-C497 VanDerWaalsContact O-N 3.13Å; T495-V498 WeakPolarHBondContact O-CG2 3.25Å; T495-F506 HydrophobicContact CG2-CB 4.38Å; T495-F506 HydrophobicContact CG2-CD1 4.46Å; T495-F506 HydrophobicContact CG2-CD2 3.81Å; T495-F506 HydrophobicContact CG2-CE2 4.22Å; T495-F506 HydrophobicContact CG2-CG 3.95Å
496T87Confident88.8Confident39 Ų3954.9 Ų54.924%0.23927%0.273CS..G310 helixtrans-58.1-25.9177.4-55.10000113.5R493 N494 V498 F506R493-T496 WeakPolarHBondContact O-CB 3.41Å; R493-T496 PolarHBondContact O-N 3.24Å; R493-T496 PolarHBondContact O-OG1 3.17Å; R493-T496 VanDerWaalsContact O-OG1 3.12Å; N494-T496 PolarHBondContact O-N 3.48Å; N494-T496 VanDerWaalsContact O-N 3.13Å; T496-V498 PolarHBondContact O-N 3.46Å; T496-F506 PolarHBondContact OG1-N 3.46Å; T496-F506 PolarHBondContact OG1-O 3.3Å
497C80.9Confident88.7Confident110 Ų11055.6 Ų55.674%0.74328%0.278SS*.  trans-9563.6-170-61.50000113N494 T495N494-C497 PolarHBondContact O-N 3.48Å; T495-C497 PolarHBondContact O-N 2.81Å; T495-C497 VanDerWaalsContact O-N 3.13Å
498V79.8Confident88.7Confident21 Ų2156.3 Ų56.313%0.12728%0.283CS..SBendtrans-99.4-15.6-176-162.50000114L384 K441 S444 I445 H448 T495 T496L384-V498 HydrophobicContact CD1-CB 4.27Å; L384-V498 HydrophobicContact CD1-CG1 3.98Å; L384-V498 WeakPolarHBondContact CD2-O 3.29Å; K441-V498 HydrophobicContact CG-CG1 4.23Å; S444-V498 WeakPolarHBondContact OG-CG2 3.15Å; I445-V498 HydrophobicContact CG1-CG1 3.83Å; H448-V498 WeakPolarHBondContact CE1-CG2 3.35Å; T495-V498 WeakPolarHBondContact O-CG2 3.25Å; T496-V498 PolarHBondContact O-N 3.46Å
499G77.9Confident88.6Confident40 Ų4060.1 Ų60.141%0.41230%0.303SS..SBendtrans-155.2-174.2-173.600000112.7
500R78.6Confident88.7Confident209 Ų20963 Ų6379%0.78932%0.321SS*.SBendtrans-74.9-34.9176.6-175.9-179.5-66.7-177.50.1110.5E388E388-R500 PolarHBondContact OE1-N 3.44Å
501Y81.1Confident88.7Confident143 Ų14363 Ų6356%0.56132%0.321SS*.SBendtrans-105.5137.1-176.7-57.1-70.7000110.9E388 V503E388-Y501 PolarHBondContact OE1-N 3.42Å; Y501-V503 PolarHBondContact O-N 2.83Å
502P82.8Confident88.9Confident93 Ų9363 Ų6360%0.60432%0.321SS*.  trans-68.8125.9177.828.1-33.1000110.4
503V88.9Confident89.1Confident10 Ų1063.8 Ų63.86%0.06133%0.328CS..  trans-98-62.1176.5175.40000110.3A387 E388 S391 H448 L452 Y501A387-V503 HydrophobicContact CB-CG1 4.23Å; A387-V503 HydrophobicContact CB-CG2 4.39Å; E388-V503 HydrophobicContact CB-CG2 4.48Å; E388-V503 HydrophobicContact CG-CG2 3.85Å; S391-V503 PolarHBondContact OG-O 3.41Å; H448-V503 HydrophobicContact CB-CB 4.44Å; H448-V503 HydrophobicContact CB-CG1 3.81Å; H448-V503 VanDerWaalsContact CD2-CB 3.47Å; H448-V503 WeakPolarHBondContact CD2-CB 3.32Å; L452-V503 HydrophobicContact CD1-CG1 3.82Å; L452-V503 HydrophobicContact CD2-CG1 4.13Å; L452-V503 HydrophobicContact CG-CG1 4.05Å; Y501-V503 PolarHBondContact O-N 2.83Å
504C90.5Very high89.4Confident5 Ų556.8 Ų56.83%0.03430%0.302CS..  trans-137.8159.9174.8-80.50000109.6H448 C451 F506H448-C504 PolarHBondContact CD2-N 3.32Å; H448-C504 PolarHBondContact NE2-O 2.88Å; C451-C504 HydrophobicContact CB-CB 3.74Å; C451-C504 WeakPolarHBondContact CB-SG 3.44Å; C451-C504 WeakPolarHBondContact SG-CB 3.4Å; C451-C504 CovalentContact SG-SG 2.04Å; C451-C504 PolarHBondContact SG-SG 3.39Å; C504-F506 HydrophobicContact CB-CE2 4.12Å
505K91.9Very high89.8Confident174 Ų17452 Ų5276%0.75728%0.276SS*.  trans-99.6134.8174.3-66.2-173.5179.2-177.80109.5
506F93.8Very high90.1Very high9 Ų952.8 Ų52.84%0.03928%0.28CS..SBendtrans-117.6146.9169.3-66.2-84.9000108.8L447 H448 A490 D492 R493 T495 T496 C504 V511L447-F506 HydrophobicContact CB-CE1 4.1Å; L447-F506 HydrophobicContact CB-CZ 3.7Å; H448-F506 AromaticContact CD2-CE2 3.78Å; H448-F506 AromaticContact CE1-CD2 3.85Å; H448-F506 AromaticContact CE1-CE2 3.41Å; H448-F506 VanDerWaalsContact CE1-CE2 3.41Å; H448-F506 WeakPolarHBondContact CE1-CE2 3.36Å; H448-F506 AromaticContact CG-CE2 3.98Å; H448-F506 AromaticContact ND1-CE2 3.74Å; H448-F506 AromaticContact NE2-CD2 3.87Å; H448-F506 AromaticContact NE2-CE2 3.46Å; H448-F506 WeakPolarHBondContact NE2-CE2 3.26Å; A490-F506 WeakPolarHBondContact O-CD1 3.14Å; D492-F506 VanDerWaalsContact O-CB 3.3Å; D492-F506 WeakPolarHBondContact O-CB 3.09Å; R493-F506 WeakPolarHBondContact CA-O 3.15Å; T495-F506 HydrophobicContact CG2-CB 4.38Å; T495-F506 HydrophobicContact CG2-CD1 4.46Å; T495-F506 HydrophobicContact CG2-CD2 3.81Å; T495-F506 HydrophobicContact CG2-CE2 4.22Å; T495-F506 HydrophobicContact CG2-CG 3.95Å; T496-F506 PolarHBondContact OG1-N 3.46Å; T496-F506 PolarHBondContact OG1-O 3.3Å; C504-F506 HydrophobicContact CB-CE2 4.12Å; F506-V511 HydrophobicContact CE1-CB 4.07Å; F506-V511 HydrophobicContact CE1-CG1 4.06Å; F506-V511 HydrophobicContact CE1-CG2 4.01Å; F506-V511 HydrophobicContact CZ-CG2 4.37Å
507P94.6Very high90.6Very high19 Ų1956.6 Ų56.612%0.12330%0.295CS..SBendcis-64.51434.5-26.340.7000114.2A490 V491 N542 H544 I547A490-P507 WeakPolarHBondContact O-CA 3.21Å; V491-P507 WeakPolarHBondContact O-CG 3.4Å; P507-N542 HydrophobicContact CG-CB 4.08Å; P507-H544 WeakPolarHBondContact CD-NE2 3.38Å; P507-H544 VanDerWaalsContact CG-CD2 3.47Å; P507-H544 WeakPolarHBondContact CG-CD2 3.39Å; P507-I547 HydrophobicContact CB-CD1 3.41Å; P507-I547 VanDerWaalsContact CB-CD1 3.41Å
508S94.7Very high91.3Very high16 Ų1651.7 Ų51.711%0.11226%0.262CS..  trans-126112.7-177.4177.70000111.6A490 T510 V511 A512A490-S508 PolarHBondContact O-N 3.36Å; S508-T510 VanDerWaalsContact C-N 3.34Å; S508-T510 PolarHBondContact O-N 2.93Å; S508-V511 PolarHBondContact O-N 2.73Å; S508-V511 WeakPolarHBondContact OG-CG2 3.14Å; S508-V511 PolarHBondContact OG-N 2.97Å; S508-A512 WeakPolarHBondContact O-CB 3.28Å; S508-A512 PolarHBondContact O-N 2.66Å
509L94.2Very high91.9Very high80 Ų8053.4 Ų53.442%0.41928%0.284SS..Hα-helixtrans-60.2-43.9177.6-17769.6000111.6A512 S513 I547 L550L509-A512 PolarHBondContact O-N 3.12Å; L509-S513 WeakPolarHBondContact O-CB 3.21Å; L509-S513 PolarHBondContact O-N 3.42Å; L509-I547 HydrophobicContact CB-CG1 4.1Å; L509-I547 HydrophobicContact CD1-CG1 3.86Å; L509-L550 HydrophobicContact CD1-CB 4Å; L509-L550 HydrophobicContact CD1-CD2 3.64Å; L509-L550 HydrophobicContact CD1-CG 4.45Å
510T95.2Very high92.7Very high77 Ų7752.2 Ų52.247%0.47227%0.27SS..Hα-helixtrans-62.8-45.5-179.2-470000111.5E454 S508 S513 I514E454-T510 HydrophobicContact CB-CG2 4.01Å; E454-T510 HydrophobicContact CG-CG2 3.81Å; S508-T510 VanDerWaalsContact C-N 3.34Å; S508-T510 PolarHBondContact O-N 2.93Å; T510-S513 PolarHBondContact O-N 3.36Å; T510-I514 PolarHBondContact O-N 3.01Å; T510-I514 VanDerWaalsContact O-N 3.15Å
511V96.9Very high93.2Very high0 Ų047 Ų470%026%0.258CS..Hα-helixtrans-68.3-41.3178.5178.90000110.7L447 I450 C451 A490 F506 S508 S513 I514 L515L447-V511 HydrophobicContact CD2-CG1 4.04Å; I450-V511 HydrophobicContact CG2-CG1 4.35Å; C451-V511 HydrophobicContact CB-CG2 3.66Å; A490-V511 HydrophobicContact CB-CG1 4.08Å; F506-V511 HydrophobicContact CE1-CB 4.07Å; F506-V511 HydrophobicContact CE1-CG1 4.06Å; F506-V511 HydrophobicContact CE1-CG2 4.01Å; F506-V511 HydrophobicContact CZ-CG2 4.37Å; S508-V511 PolarHBondContact O-N 2.73Å; S508-V511 WeakPolarHBondContact OG-CG2 3.14Å; S508-V511 PolarHBondContact OG-N 2.97Å; V511-S513 VanDerWaalsContact C-N 3.32Å; V511-S513 PolarHBondContact O-N 2.92Å; V511-I514 VanDerWaalsContact O-CG2 3.28Å; V511-I514 WeakPolarHBondContact O-CG2 3.28Å; V511-I514 PolarHBondContact O-N 2.87Å; V511-L515 HydrophobicContact CG1-CD1 4.03Å; V511-L515 HydrophobicContact CG1-CG 4.3Å; V511-L515 WeakPolarHBondContact O-CG 3.33Å; V511-L515 PolarHBondContact O-N 2.88Å; V511-L515 VanDerWaalsContact O-N 3.09Å
512A96.8Very high93.6Very high0 Ų040.8 Ų40.80%024%0.235CC..Hα-helixtrans-59.6-42.817500000111.8L487 V491 S508 L509 L515 L516 L550L487-A512 HydrophobicContact CD1-CB 4.31Å; V491-A512 HydrophobicContact CG1-CB 4.34Å; S508-A512 WeakPolarHBondContact O-CB 3.28Å; S508-A512 PolarHBondContact O-N 2.66Å; L509-A512 PolarHBondContact O-N 3.12Å; A512-L515 PolarHBondContact O-N 3.25Å; A512-L516 WeakPolarHBondContact O-CD1 3.31Å; A512-L516 VanDerWaalsContact O-CG 3.28Å; A512-L516 WeakPolarHBondContact O-CG 3.48Å; A512-L516 PolarHBondContact O-N 2.9Å; A512-L550 HydrophobicContact CB-CD2 4.09Å
513S96.8Very high93.7Very high35 Ų3538.3 Ų38.325%0.24522%0.217CC..Hα-helixtrans-59.3-52.4178.2-166.80000111.9L509 T510 V511 L515 L516 E517L509-S513 WeakPolarHBondContact O-CB 3.21Å; L509-S513 PolarHBondContact O-N 3.42Å; T510-S513 PolarHBondContact O-N 3.36Å; V511-S513 VanDerWaalsContact C-N 3.32Å; V511-S513 PolarHBondContact O-N 2.92Å; S513-L515 VanDerWaalsContact C-N 3.31Å; S513-L515 PolarHBondContact O-N 3.39Å; S513-L516 PolarHBondContact O-N 3.39Å; S513-L516 VanDerWaalsContact O-N 3.16Å; S513-E517 WeakPolarHBondContact O-CG 3.47Å; S513-E517 PolarHBondContact O-N 2.9Å; S513-E517 PolarHBondContact OG-OE1 3.33Å
514I96.8Very high93.5Very high5 Ų538.4 Ų38.43%0.02622%0.218CC..Hα-helixtrans-66-34.6-178-168.6167.4000112.2I450 E454 K466 K467 I470 T510 V511 E517 C518I450-I514 HydrophobicContact CG2-CG2 3.71Å; E454-I514 WeakPolarHBondContact OE1-CD1 3.35Å; K466-I514 HydrophobicContact CD-CD1 4.01Å; K466-I514 HydrophobicContact CG-CD1 4.45Å; K467-I514 HydrophobicContact CG-CD1 4.41Å; I470-I514 HydrophobicContact CD1-CD1 3.63Å; I470-I514 HydrophobicContact CD1-CG1 3.93Å; T510-I514 PolarHBondContact O-N 3.01Å; T510-I514 VanDerWaalsContact O-N 3.15Å; V511-I514 VanDerWaalsContact O-CG2 3.28Å; V511-I514 WeakPolarHBondContact O-CG2 3.28Å; V511-I514 PolarHBondContact O-N 2.87Å; I514-E517 PolarHBondContact O-N 3.14Å; I514-C518 WeakPolarHBondContact O-CB 3.29Å; I514-C518 PolarHBondContact O-N 3.32Å; I514-C518 PolarHBondContact O-SG 3.4Å
515L97.6Very high93.2Very high0 Ų041.3 Ų41.30%023%0.228CC..Hα-helixtrans-63.1-42.9174.2-69.1175.1000111.3L447 I450 I470 L474 P486 A490 V511 A512 S513 C518 G519 A520L447-L515 HydrophobicContact CD2-CD1 3.82Å; L447-L515 HydrophobicContact CD2-CD2 4.25Å; I450-L515 HydrophobicContact CD1-CD2 4.26Å; I470-L515 HydrophobicContact CG2-CD2 3.94Å; L474-L515 HydrophobicContact CD1-CD2 4.27Å; L474-L515 WeakPolarHBondContact CD1-O 3.48Å; L474-L515 HydrophobicContact CD2-CD2 4.24Å; P486-L515 HydrophobicContact CB-CD1 4.39Å; A490-L515 HydrophobicContact CB-CD1 3.71Å; V511-L515 HydrophobicContact CG1-CD1 4.03Å; V511-L515 HydrophobicContact CG1-CG 4.3Å; V511-L515 WeakPolarHBondContact O-CG 3.33Å; V511-L515 PolarHBondContact O-N 2.88Å; V511-L515 VanDerWaalsContact O-N 3.09Å; A512-L515 PolarHBondContact O-N 3.25Å; S513-L515 VanDerWaalsContact C-N 3.31Å; S513-L515 PolarHBondContact O-N 3.39Å; L515-C518 CarbonylContact O-C 3.27Å; L515-C518 PolarHBondContact O-N 3.22Å; L515-G519 PolarHBondContact O-N 3.44Å; L515-A520 HydrophobicContact CB-CB 4.04Å; L515-A520 WeakPolarHBondContact O-CB 3.48Å; L515-A520 PolarHBondContact O-N 3.43Å
516L96.4Very high92.7Very high23 Ų2333.2 Ų33.212%0.1219%0.193CC..Hα-helixtrans-67.1-43.6177.3-69.8164.5000111.8L487 A512 S513 C518 G519 V522 L550 L551 C554L487-L516 HydrophobicContact CD1-CD2 4.41Å; L487-L516 HydrophobicContact CD1-CG 4.27Å; L487-L516 HydrophobicContact CD2-CD2 3.8Å; A512-L516 WeakPolarHBondContact O-CD1 3.31Å; A512-L516 VanDerWaalsContact O-CG 3.28Å; A512-L516 WeakPolarHBondContact O-CG 3.48Å; A512-L516 PolarHBondContact O-N 2.9Å; S513-L516 PolarHBondContact O-N 3.39Å; S513-L516 VanDerWaalsContact O-N 3.16Å; L516-C518 PolarHBondContact O-N 3.29Å; L516-G519 PolarHBondContact O-N 3.14Å; L516-V522 HydrophobicContact CD2-CB 3.86Å; L516-V522 HydrophobicContact CD2-CG2 3.84Å; L516-L550 HydrophobicContact CD1-CD1 4.36Å; L516-L550 HydrophobicContact CD1-CD2 4.01Å; L516-L550 HydrophobicContact CD1-CG 3.81Å; L516-L551 HydrophobicContact CD1-CD2 4.17Å; L516-C554 HydrophobicContact CD1-CB 4.18Å; L516-C554 HydrophobicContact CD2-CB 4.24Å
517E95.6Very high91.8Very high119 Ų11940 Ų4056%0.55623%0.225SC*.Hα-helixtrans-56.7-34.7172.4-74.5173.3-143.900112K467 S513 I514 G519K467-E517 WeakPolarHBondContact CE-OE2 3.17Å; K467-E517 IonicContact NZ-OE2 2.76Å; K467-E517 PolarHBondContact NZ-OE2 3.39Å; S513-E517 WeakPolarHBondContact O-CG 3.47Å; S513-E517 PolarHBondContact O-N 2.9Å; S513-E517 PolarHBondContact OG-OE1 3.33Å; I514-E517 PolarHBondContact O-N 3.14Å; E517-G519 VanDerWaalsContact C-N 3.3Å; E517-G519 PolarHBondContact O-N 3.39Å
518C96.6Very high90.4Very high7 Ų740.8 Ų40.85%0.04723%0.228CC..THydrogen-bonded Turntrans-8913.8177.4-60.60000113.6I470 Y471 L474 I514 L515 L516I470-C518 HydrophobicContact CB-CB 4.18Å; I470-C518 HydrophobicContact CG2-CB 3.63Å; Y471-C518 WeakPolarHBondContact CD2-O 3.36Å; L474-C518 HydrophobicContact CD1-CB 3.85Å; L474-C518 WeakPolarHBondContact CD1-O 3.48Å; I514-C518 WeakPolarHBondContact O-CB 3.29Å; I514-C518 PolarHBondContact O-N 3.32Å; I514-C518 PolarHBondContact O-SG 3.4Å; L515-C518 CarbonylContact O-C 3.27Å; L515-C518 PolarHBondContact O-N 3.22Å; L516-C518 PolarHBondContact O-N 3.29Å
519G93Very high88.5Confident57 Ų5748 Ų4859%0.58827%0.266SS*.THydrogen-bonded Turntrans86.125.5170.300000116L515 L516 E517L515-G519 PolarHBondContact O-N 3.44Å; L516-G519 PolarHBondContact O-N 3.14Å; E517-G519 VanDerWaalsContact C-N 3.3Å; E517-G519 PolarHBondContact O-N 3.39Å
520A93.9Very high86.7Confident15 Ų1550.3 Ų50.312%0.12428%0.279CS..  trans-61.3136.717000000111L474 L487 L515 V522L474-A520 HydrophobicContact CD1-CB 4Å; L474-A520 HydrophobicContact CD2-CB 4.13Å; L487-A520 HydrophobicContact CB-CB 4.37Å; L487-A520 HydrophobicContact CD2-CB 4.39Å; L515-A520 HydrophobicContact CB-CB 4.04Å; L515-A520 WeakPolarHBondContact O-CB 3.48Å; L515-A520 PolarHBondContact O-N 3.43Å; A520-V522 PolarHBondContact O-N 3.1Å
521D89.6Confident85.3Confident99 Ų9947 Ų4753%0.52926%0.258SS..  trans-70.6104177-179.29.3000110.8N523 S524D521-N523 PolarHBondContact O-N 3.18Å; D521-N523 PolarHBondContact OD1-N 3.28Å; D521-S524 WeakPolarHBondContact O-CB 3.18Å; D521-S524 PolarHBondContact O-N 3.14Å; D521-S524 PolarHBondContact O-OG 3.38Å; D521-S524 PolarHBondContact OD1-N 3.32Å
522V88.4Confident83.9Confident13 Ų1349 Ų498%0.07927%0.271CS..THydrogen-bonded Turntrans-62-27.8179.8760000112.4L516 A520 L551 C554 N556L516-V522 HydrophobicContact CD2-CB 3.86Å; L516-V522 HydrophobicContact CD2-CG2 3.84Å; A520-V522 PolarHBondContact O-N 3.1Å; V522-L551 HydrophobicContact CG2-CB 4.35Å; V522-L551 HydrophobicContact CG2-CD2 3.83Å; V522-L551 WeakPolarHBondContact CG2-O 3.47Å; V522-C554 HydrophobicContact CG2-CB 4.36Å; V522-N556 HydrophobicContact CG2-CB 3.73Å; V522-N556 PolarHBondContact O-ND2 3.42Å
523N84.8Confident83.1Confident42 Ų4252.5 Ų52.523%0.22529%0.285CS..THydrogen-bonded Turntrans-102.511.1-175.2-71.3-55.4000113.4D521 G555 N556 H557D521-N523 PolarHBondContact O-N 3.18Å; D521-N523 PolarHBondContact OD1-N 3.28Å; N523-G555 PolarHBondContact ND2-O 3.19Å; N523-N556 VanDerWaalsContact OD1-CA 3.29Å; N523-N556 WeakPolarHBondContact OD1-CA 3.33Å; N523-H557 VanDerWaalsContact CG-CD2 3.48Å; N523-H557 PolarHBondContact OD1-CD2 3.02Å; N523-H557 PolarHBondContact OD1-N 3.46Å
524S86.3Confident82.7Confident12 Ų1251 Ų518%0.08427%0.274CS..  trans-55.9150.3174.352.90000111.6T485 H488 D521 S534 P535T485-S524 PolarHBondContact OG1-OG 3.41Å; H488-S524 PolarHBondContact CE1-OG 2.81Å; H488-S524 VanDerWaalsContact CE1-OG 3.26Å; D521-S524 WeakPolarHBondContact O-CB 3.18Å; D521-S524 PolarHBondContact O-N 3.14Å; D521-S524 PolarHBondContact O-OG 3.38Å; D521-S524 PolarHBondContact OD1-N 3.32Å; S524-S534 WeakPolarHBondContact O-CA 3.1Å; S524-P535 VanDerWaalsContact O-CD 3.24Å; S524-P535 WeakPolarHBondContact O-CD 3.08Å
525R83.1Confident82.3Confident65 Ų6550.8 Ų50.825%0.24527%0.273CS..  trans-124.2140.4177.8-59.9-174.371.9125.23.1109.3P532 R533 T561R525-P532 PolarHBondContact NH2-O 3.2Å; R525-R533 WeakPolarHBondContact CA-O 3.23Å; R525-T561 PolarHBondContact NH1-O 2.97Å; R525-T561 PolarHBondContact NH2-O 3.06Å
526D81.1Confident81.9Confident5 Ų550.8 Ų50.83%0.02727%0.273CS..  trans-71.9164.4171.576.611.2000111.3N482 F484 D528 P532 R533N482-D526 VanDerWaalsContact O-CB 3.31Å; N482-D526 WeakPolarHBondContact O-CB 3.45Å; F484-D526 HydrophobicContact CD1-CB 3.72Å; F484-D526 HydrophobicContact CE1-CB 3.73Å; F484-D526 VanDerWaalsContact CE1-OD2 3.25Å; F484-D526 WeakPolarHBondContact CE1-OD2 3.34Å; D526-D528 WeakPolarHBondContact OD1-CB 3.43Å; D526-D528 PolarHBondContact OD1-N 3.11Å; D526-P532 WeakPolarHBondContact O-CB 3.44Å; D526-P532 WeakPolarHBondContact OD1-CA 3.46Å; D526-R533 PolarHBondContact N-O 2.95Å; D526-R533 PolarHBondContact OD1-N 3.18Å; D526-R533 IonicContact OD2-NE 2.69Å
527E74.6Confident81.5Confident150 Ų15049.7 Ų49.770%0.70127%0.267SS*.  trans-100.136.5178.5-64.6-175.3163.300111.2N482 D529N482-E527 PolarHBondContact O-N 3.38Å; E527-D529 PolarHBondContact O-N 3.24Å; E527-D529 VanDerWaalsContact O-N 3.15Å
528D66.1Low81.1Confident36 Ų3644.2 Ų44.219%0.19324%0.242CC..  trans-67.1112.3175.3-166.2-27.3000110D526 N530 S531 R533D526-D528 WeakPolarHBondContact OD1-CB 3.43Å; D526-D528 PolarHBondContact OD1-N 3.11Å; D528-N530 PolarHBondContact O-N 3.41Å; D528-N530 PolarHBondContact OD1-N 3.17Å; D528-S531 PolarHBondContact O-N 3.33Å; D528-R533 IonicContact OD2-CZ 3.43Å; D528-R533 IonicContact OD2-NE 2.86Å; D528-R533 IonicContact OD2-NH2 2.87Å; D528-R533 PolarHBondContact OD2-NH2 2.68Å
529D54.2Low80.7Confident168 Ų16843.9 Ų43.990%0.89824%0.239SC*.THydrogen-bonded Turntrans-50.4-26.9-177.5-79.7-25.7000113.4E527E527-D529 PolarHBondContact O-N 3.24Å; E527-D529 VanDerWaalsContact O-N 3.15Å
530N57.1Low80.4Confident129 Ų12941.3 Ų41.369%0.6921%0.213SC*.THydrogen-bonded Turntrans-95.4-32.9-179.8-73.7-33.4000113.6D528 A563D528-N530 PolarHBondContact O-N 3.41Å; D528-N530 PolarHBondContact OD1-N 3.17Å; N530-A563 WeakPolarHBondContact O-CB 3.47Å
531S64.9Low80Confident6 Ų643.3 Ų43.34%0.04223%0.225CC..  trans-166.796-174.2174.40000113.5D528 R533 N562 A563D528-S531 PolarHBondContact O-N 3.33Å; S531-R533 PolarHBondContact O-N 2.87Å; S531-N562 VanDerWaalsContact OG-CB 3.25Å; S531-N562 WeakPolarHBondContact OG-CB 3.18Å; S531-A563 PolarHBondContact OG-N 2.94Å
532P69Low79.9Confident43 Ų4340 Ų4028%0.27921%0.208SC..  trans-65.1122.3-178.524.4-31.5000111.1R525 D526R525-P532 PolarHBondContact NH2-O 3.2Å; D526-P532 WeakPolarHBondContact O-CB 3.44Å; D526-P532 WeakPolarHBondContact OD1-CA 3.46Å
533R80Confident79.7Confident74 Ų7441.2 Ų41.228%0.27922%0.223SC..  trans-108.5147.5-178.1-71.9173.6-74.2-175.9-10110.8H488 R525 D526 D528 S531 H537 I538H488-R533 PolarHBondContact NE2-O 2.99Å; R525-R533 WeakPolarHBondContact CA-O 3.23Å; D526-R533 PolarHBondContact N-O 2.95Å; D526-R533 PolarHBondContact OD1-N 3.18Å; D526-R533 IonicContact OD2-NE 2.69Å; D528-R533 IonicContact OD2-CZ 3.43Å; D528-R533 IonicContact OD2-NE 2.86Å; D528-R533 IonicContact OD2-NH2 2.87Å; D528-R533 PolarHBondContact OD2-NH2 2.68Å; S531-R533 PolarHBondContact O-N 2.87Å; R533-H537 HydrophobicContact CB-CB 3.96Å; R533-H537 HydrophobicContact CG-CB 4.1Å; R533-I538 HydrophobicContact CB-CG1 4.41Å
534S87.4Confident79.7Confident3 Ų342.6 Ų42.62%0.02123%0.228CC..  trans-93.8167168.674.20000110.8S524 L536 H537 I538S524-S534 WeakPolarHBondContact O-CA 3.1Å; S534-L536 PolarHBondContact O-N 3.35Å; S534-L536 VanDerWaalsContact O-N 3.1Å; S534-L536 PolarHBondContact OG-N 2.97Å; S534-H537 PolarHBondContact N-ND1 3.32Å; S534-H537 WeakPolarHBondContact O-CB 3.5Å; S534-H537 PolarHBondContact O-N 3.12Å; S534-H537 PolarHBondContact OG-ND1 2.87Å; S534-I538 PolarHBondContact O-N 3.35Å
535P88.9Confident79.5Confident0 Ų043.2 Ų43.20%023%0.232CC..Hα-helixtrans-54.2-31.8173.8-27.436.1000112.9L487 H488 V491 S524 I538 A539 L551L487-P535 HydrophobicContact CB-CG 4.39Å; L487-P535 HydrophobicContact CD2-CB 4.22Å; L487-P535 HydrophobicContact CD2-CG 3.93Å; L487-P535 HydrophobicContact CG-CB 4.02Å; L487-P535 HydrophobicContact CG-CG 3.95Å; H488-P535 WeakPolarHBondContact NE2-CD 3.36Å; V491-P535 HydrophobicContact CG2-CB 4.02Å; V491-P535 WeakPolarHBondContact CG2-O 3.47Å; S524-P535 VanDerWaalsContact O-CD 3.24Å; S524-P535 WeakPolarHBondContact O-CD 3.08Å; P535-I538 PolarHBondContact O-N 2.96Å; P535-A539 WeakPolarHBondContact O-CB 3.4Å; P535-A539 PolarHBondContact O-N 3.4Å; P535-L551 HydrophobicContact CB-CD1 4.15Å; P535-L551 HydrophobicContact CB-CD2 4.25Å
536L88.1Confident79.7Confident0 Ų045.2 Ų45.20%025%0.247CC..Hα-helixtrans-65-41.1176.6-173.667.7000112.2S534 I538 A539 A540 M548 L551 I552 N556 A568S534-L536 PolarHBondContact O-N 3.35Å; S534-L536 VanDerWaalsContact O-N 3.1Å; S534-L536 PolarHBondContact OG-N 2.97Å; L536-I538 VanDerWaalsContact C-N 3.35Å; L536-A539 PolarHBondContact O-N 3.15Å; L536-A540 WeakPolarHBondContact O-CB 3.49Å; L536-A540 PolarHBondContact O-N 3.5Å; L536-M548 HydrophobicContact CD1-CB 3.82Å; L536-M548 HydrophobicContact CD1-CE 4.07Å; L536-M548 HydrophobicContact CD1-CG 3.93Å; L536-L551 HydrophobicContact CB-CD1 4.35Å; L536-L551 HydrophobicContact CD1-CB 4.23Å; L536-L551 HydrophobicContact CD1-CD1 4.29Å; L536-I552 HydrophobicContact CD1-CD1 4.32Å; L536-I552 HydrophobicContact CD1-CG1 4.09Å; L536-I552 HydrophobicContact CD2-CG1 4.43Å; L536-N556 WeakPolarHBondContact CB-OD1 3.33Å; L536-N556 VanDerWaalsContact CD2-OD1 3.22Å; L536-N556 WeakPolarHBondContact CD2-OD1 3.42Å; L536-A568 HydrophobicContact CB-CB 4.43Å; L536-A568 HydrophobicContact CD2-CB 3.78Å; L536-A568 HydrophobicContact CG-CB 3.59Å
537H87.9Confident80.1Confident0 Ų045.1 Ų45.10%025%0.247CC..Hα-helixtrans-64.7-39.7176.5-67.287000111.9R533 S534 S541 S560 N562 Q566 L571R533-H537 HydrophobicContact CB-CB 3.96Å; R533-H537 HydrophobicContact CG-CB 4.1Å; S534-H537 PolarHBondContact N-ND1 3.32Å; S534-H537 WeakPolarHBondContact O-CB 3.5Å; S534-H537 PolarHBondContact O-N 3.12Å; S534-H537 PolarHBondContact OG-ND1 2.87Å; H537-S541 WeakPolarHBondContact O-CB 3.39Å; H537-S541 PolarHBondContact O-N 3.34Å; H537-S541 PolarHBondContact O-OG 3.38Å; H537-S560 PolarHBondContact CE1-O 3.38Å; H537-S560 VanDerWaalsContact CE1-O 3.25Å; H537-S560 PolarHBondContact CE1-OG 2.85Å; H537-S560 PolarHBondContact NE2-O 3.34Å; H537-S560 VanDerWaalsContact NE2-O 3.16Å; H537-N562 PolarHBondContact NE2-N 2.65Å; H537-Q566 PolarHBondContact NE2-O 2.71Å; H537-L571 HydrophobicContact CB-CD1 4.07Å
538I88.1Confident80.7Confident5 Ų538 Ų383%0.02621%0.213CC..Hα-helixtrans-67.5-46.1177.3-60.9-175.4000110.4F484 H488 V491 D492 R533 S534 P535 L536 A540 S541 N542F484-I538 HydrophobicContact CE1-CD1 4.43Å; F484-I538 HydrophobicContact CE2-CD1 3.81Å; F484-I538 HydrophobicContact CZ-CD1 3.7Å; H488-I538 HydrophobicContact CB-CD1 4.07Å; V491-I538 HydrophobicContact CG2-CB 4.03Å; V491-I538 HydrophobicContact CG2-CG2 4Å; V491-I538 WeakPolarHBondContact O-CG2 3.44Å; D492-I538 HydrophobicContact CB-CG2 3.89Å; R533-I538 HydrophobicContact CB-CG1 4.41Å; S534-I538 PolarHBondContact O-N 3.35Å; P535-I538 PolarHBondContact O-N 2.96Å; L536-I538 VanDerWaalsContact C-N 3.35Å; I538-A540 VanDerWaalsContact C-N 3.31Å; I538-A540 PolarHBondContact O-N 2.91Å; I538-S541 PolarHBondContact O-N 3.43Å; I538-N542 PolarHBondContact O-N 2.96Å; I538-N542 PolarHBondContact O-ND2 2.86Å
539A88.3Confident81.7Confident0 Ų039 Ų390%022%0.219CC..Hα-helixtrans-59.3-41.317700000112.1V491 P535 L536 N542 G543 H544 I547 M548 L551V491-A539 HydrophobicContact CB-CB 4.32Å; P535-A539 WeakPolarHBondContact O-CB 3.4Å; P535-A539 PolarHBondContact O-N 3.4Å; L536-A539 PolarHBondContact O-N 3.15Å; A539-N542 PolarHBondContact O-N 3.06Å; A539-G543 PolarHBondContact O-N 3.15Å; A539-H544 PolarHBondContact O-N 3.47Å; A539-H544 VanDerWaalsContact O-N 3.09Å; A539-I547 HydrophobicContact CB-CB 4.46Å; A539-I547 HydrophobicContact CB-CG2 3.93Å; A539-M548 HydrophobicContact CB-CG 3.93Å; A539-L551 HydrophobicContact CB-CD1 4.13Å
540A86Confident83.3Confident3 Ų332.4 Ų32.43%0.02518%0.183CC..Hα-helixtrans-64-47.6174.800000112.3L536 I538 N542 G543 M548 A568 L571 L572L536-A540 WeakPolarHBondContact O-CB 3.49Å; L536-A540 PolarHBondContact O-N 3.5Å; I538-A540 VanDerWaalsContact C-N 3.31Å; I538-A540 PolarHBondContact O-N 2.91Å; A540-N542 PolarHBondContact O-N 3.35Å; A540-G543 PolarHBondContact O-N 2.83Å; A540-M548 HydrophobicContact CB-CE 3.83Å; A540-M548 HydrophobicContact CB-SD 3.8Å; A540-A568 HydrophobicContact CB-CB 4.1Å; A540-A568 WeakPolarHBondContact CB-O 3.49Å; A540-L571 HydrophobicContact CB-CB 4.28Å; A540-L572 HydrophobicContact CB-CD2 4.12Å; A540-L572 HydrophobicContact CB-CG 4.3Å
541S86.8Confident84.8Confident56 Ų5626.2 Ų26.239%0.39215%0.151SC..Hα-helixtrans-61.1-28.2178.4-57.70000113.1H537 I538H537-S541 WeakPolarHBondContact O-CB 3.39Å; H537-S541 PolarHBondContact O-N 3.34Å; H537-S541 PolarHBondContact O-OG 3.38Å; I538-S541 PolarHBondContact O-N 3.43Å
542N86.1Confident85.8Confident30 Ų3026.6 Ų26.616%0.1615%0.152CC..THydrogen-bonded Turntrans-88.9-3.7175.9-70.7-34.5000113.3V491 R493 P507 I538 A539 A540 H544V491-N542 PolarHBondContact O-ND2 3.12Å; R493-N542 VanDerWaalsContact CD-OD1 3.3Å; R493-N542 WeakPolarHBondContact CD-OD1 3.31Å; R493-N542 WeakPolarHBondContact CG-OD1 3.28Å; R493-N542 PolarHBondContact N-ND2 3.33Å; P507-N542 HydrophobicContact CG-CB 4.08Å; I538-N542 PolarHBondContact O-N 2.96Å; I538-N542 PolarHBondContact O-ND2 2.86Å; A539-N542 PolarHBondContact O-N 3.06Å; A540-N542 PolarHBondContact O-N 3.35Å; N542-H544 PolarHBondContact O-CD2 3.43Å; N542-H544 VanDerWaalsContact O-CD2 3.25Å
543G85.3Confident86.6Confident39 Ų3929 Ų2940%0.40217%0.169SC..THydrogen-bonded Turntrans70.937.2177.400000114.4A539 A540 P545A539-G543 PolarHBondContact O-N 3.15Å; A540-G543 PolarHBondContact O-N 2.83Å; G543-P545 WeakPolarHBondContact O-CD 3.2Å
544H84.9Confident86.8Confident70 Ų7028.4 Ų28.432%0.32418%0.176SC..  trans-111.380.8-179.1-77.9-86.1000112.7P507 A539 N542 D546 I547 M548P507-H544 WeakPolarHBondContact CD-NE2 3.38Å; P507-H544 VanDerWaalsContact CG-CD2 3.47Å; P507-H544 WeakPolarHBondContact CG-CD2 3.39Å; A539-H544 PolarHBondContact O-N 3.47Å; A539-H544 VanDerWaalsContact O-N 3.09Å; N542-H544 PolarHBondContact O-CD2 3.43Å; N542-H544 VanDerWaalsContact O-CD2 3.25Å; H544-D546 VanDerWaalsContact C-N 3.32Å; H544-D546 PolarHBondContact O-N 3.05Å; H544-I547 HydrophobicContact CB-CB 4.25Å; H544-I547 HydrophobicContact CB-CD1 4.06Å; H544-I547 HydrophobicContact CB-CG1 4.32Å; H544-I547 PolarHBondContact O-N 3.46Å; H544-M548 PolarHBondContact O-N 3.45Å
545P82.3Confident86.6Confident25 Ų2530.1 Ų30.116%0.16219%0.194CC..Hα-helixtrans-67.2-27.9-173.928.2-36.5000113.8G543 I547 M548 N549 V581G543-P545 WeakPolarHBondContact O-CD 3.2Å; P545-I547 VanDerWaalsContact C-N 3.34Å; P545-I547 PolarHBondContact O-N 3.19Å; P545-M548 WeakPolarHBondContact O-CB 3.36Å; P545-M548 PolarHBondContact O-N 3.43Å; P545-N549 PolarHBondContact O-N 2.75Å; P545-V581 HydrophobicContact CB-CB 4.23Å; P545-V581 HydrophobicContact CB-CG1 3.76Å
546D86.4Confident86.1Confident107 Ų10730.5 Ų30.557%0.57220%0.196SC*.Hα-helixtrans-64.5-39.8175.8-59.9-34.3000112H544 N549 L550H544-D546 VanDerWaalsContact C-N 3.32Å; H544-D546 PolarHBondContact O-N 3.05Å; D546-N549 PolarHBondContact O-N 2.99Å; D546-L550 PolarHBondContact O-N 3.41Å; D546-L550 VanDerWaalsContact O-N 3.13Å
547I89.1Confident85.6Confident3 Ų333.1 Ų33.12%0.01521%0.208CC..Hα-helixtrans-69.9-38.3175.7-65.7177.5000110V491 P507 L509 A539 H544 P545 N549 L550 L551V491-I547 HydrophobicContact CB-CG2 4.19Å; V491-I547 HydrophobicContact CG1-CG2 3.5Å; V491-I547 VanDerWaalsContact CG1-CG2 3.5Å; P507-I547 HydrophobicContact CB-CD1 3.41Å; P507-I547 VanDerWaalsContact CB-CD1 3.41Å; L509-I547 HydrophobicContact CB-CG1 4.1Å; L509-I547 HydrophobicContact CD1-CG1 3.86Å; A539-I547 HydrophobicContact CB-CB 4.46Å; A539-I547 HydrophobicContact CB-CG2 3.93Å; H544-I547 HydrophobicContact CB-CB 4.25Å; H544-I547 HydrophobicContact CB-CD1 4.06Å; H544-I547 HydrophobicContact CB-CG1 4.32Å; H544-I547 PolarHBondContact O-N 3.46Å; P545-I547 VanDerWaalsContact C-N 3.34Å; P545-I547 PolarHBondContact O-N 3.19Å; I547-N549 VanDerWaalsContact C-N 3.34Å; I547-N549 PolarHBondContact O-N 3.38Å; I547-L550 PolarHBondContact O-N 2.96Å; I547-L551 HydrophobicContact CG2-CD1 4.08Å; I547-L551 HydrophobicContact CG2-CG 4.39Å; I547-L551 VanDerWaalsContact O-CG 3.31Å; I547-L551 WeakPolarHBondContact O-CG 3.46Å; I547-L551 PolarHBondContact O-N 3.32Å
548M88.3Confident84.9Confident0 Ų033.6 Ų33.60%021%0.21CC..Hα-helixtrans-59.4-45.7173.5-65.8178.669.800111.6L536 A539 A540 H544 P545 L550 L551 I552 A568 L572 I582L536-M548 HydrophobicContact CD1-CB 3.82Å; L536-M548 HydrophobicContact CD1-CE 4.07Å; L536-M548 HydrophobicContact CD1-CG 3.93Å; A539-M548 HydrophobicContact CB-CG 3.93Å; A540-M548 HydrophobicContact CB-CE 3.83Å; A540-M548 HydrophobicContact CB-SD 3.8Å; H544-M548 PolarHBondContact O-N 3.45Å; P545-M548 WeakPolarHBondContact O-CB 3.36Å; P545-M548 PolarHBondContact O-N 3.43Å; M548-L550 VanDerWaalsContact C-N 3.32Å; M548-L550 PolarHBondContact O-N 3.25Å; M548-L551 PolarHBondContact O-N 2.98Å; M548-I552 WeakPolarHBondContact O-CD1 3.31Å; M548-I552 VanDerWaalsContact O-CG1 3.24Å; M548-I552 WeakPolarHBondContact O-CG1 3.43Å; M548-I552 PolarHBondContact O-N 3.08Å; M548-A568 HydrophobicContact CE-CB 4.29Å; M548-L572 HydrophobicContact CE-CD1 3.95Å; M548-L572 HydrophobicContact CE-CG 4.37Å; M548-L572 HydrophobicContact SD-CD1 4.11Å; M548-L572 HydrophobicContact SD-CD2 3.84Å; M548-L572 HydrophobicContact SD-CG 4.32Å; M548-I582 HydrophobicContact CB-CD1 3.55Å; M548-I582 HydrophobicContact CE-CD1 3.79Å; M548-I582 HydrophobicContact CG-CD1 4.47Å; M548-I582 HydrophobicContact SD-CD1 4.14Å
549N86.1Confident84.2Confident57 Ų5733.9 Ų33.931%0.30521%0.212SC..Hα-helixtrans-58.9-42.3176.7-85.6-33.4000112.6P545 D546 I547 I552 S553 V581 I582P545-N549 PolarHBondContact O-N 2.75Å; D546-N549 PolarHBondContact O-N 2.99Å; I547-N549 VanDerWaalsContact C-N 3.34Å; I547-N549 PolarHBondContact O-N 3.38Å; N549-I552 PolarHBondContact O-N 2.77Å; N549-S553 WeakPolarHBondContact O-CB 3.26Å; N549-S553 PolarHBondContact O-N 3.48Å; N549-S553 PolarHBondContact O-OG 2.96Å; N549-V581 VanDerWaalsContact ND2-CG1 3.26Å; N549-V581 WeakPolarHBondContact ND2-CG1 3.43Å; N549-V581 PolarHBondContact ND2-O 2.69Å; N549-V581 PolarHBondContact OD1-O 3.11Å; N549-I582 WeakPolarHBondContact OD1-CG1 3.35Å
550L88.9Confident83.7Confident30 Ų3034.1 Ų34.116%0.15721%0.214CC..Hα-helixtrans-61.8-47.1174.3175.465.9000111.9L509 A512 L516 D546 I547 M548 I552 S553 C554L509-L550 HydrophobicContact CD1-CB 4Å; L509-L550 HydrophobicContact CD1-CD2 3.64Å; L509-L550 HydrophobicContact CD1-CG 4.45Å; A512-L550 HydrophobicContact CB-CD2 4.09Å; L516-L550 HydrophobicContact CD1-CD1 4.36Å; L516-L550 HydrophobicContact CD1-CD2 4.01Å; L516-L550 HydrophobicContact CD1-CG 3.81Å; D546-L550 PolarHBondContact O-N 3.41Å; D546-L550 VanDerWaalsContact O-N 3.13Å; I547-L550 PolarHBondContact O-N 2.96Å; M548-L550 VanDerWaalsContact C-N 3.32Å; M548-L550 PolarHBondContact O-N 3.25Å; L550-I552 VanDerWaalsContact C-N 3.32Å; L550-I552 PolarHBondContact O-N 2.94Å; L550-S553 PolarHBondContact O-N 2.87Å; L550-S553 PolarHBondContact O-OG 3.16Å; L550-C554 WeakPolarHBondContact O-CB 3.46Å; L550-C554 PolarHBondContact O-N 2.86Å; L550-C554 PolarHBondContact O-SG 2.71Å; L550-C554 VanDerWaalsContact O-SG 3.4Å
551L88.8Confident83.3Confident0 Ų034.6 Ų34.60%022%0.216CC..Hα-helixtrans-61.4-42.8179.1-69.7169.7000111.2L487 L516 V522 P535 L536 A539 I547 M548 C554 G555 N556L487-L551 HydrophobicContact CD1-CD2 4.26Å; L487-L551 HydrophobicContact CD2-CD2 4Å; L487-L551 HydrophobicContact CG-CD2 4.36Å; L516-L551 HydrophobicContact CD1-CD2 4.17Å; V522-L551 HydrophobicContact CG2-CB 4.35Å; V522-L551 HydrophobicContact CG2-CD2 3.83Å; V522-L551 WeakPolarHBondContact CG2-O 3.47Å; P535-L551 HydrophobicContact CB-CD1 4.15Å; P535-L551 HydrophobicContact CB-CD2 4.25Å; L536-L551 HydrophobicContact CB-CD1 4.35Å; L536-L551 HydrophobicContact CD1-CB 4.23Å; L536-L551 HydrophobicContact CD1-CD1 4.29Å; A539-L551 HydrophobicContact CB-CD1 4.13Å; I547-L551 HydrophobicContact CG2-CD1 4.08Å; I547-L551 HydrophobicContact CG2-CG 4.39Å; I547-L551 VanDerWaalsContact O-CG 3.31Å; I547-L551 WeakPolarHBondContact O-CG 3.46Å; I547-L551 PolarHBondContact O-N 3.32Å; M548-L551 PolarHBondContact O-N 2.98Å; L551-C554 CarbonylContact O-C 3.42Å; L551-C554 PolarHBondContact O-N 3.38Å; L551-G555 PolarHBondContact O-N 3.3Å; L551-N556 HydrophobicContact CB-CB 4.06Å; L551-N556 WeakPolarHBondContact O-CB 3.43Å; L551-N556 PolarHBondContact O-N 2.91Å
552I85.6Confident82.8Confident14 Ų1432.2 Ų32.27%0.07220%0.199CC..Hα-helixtrans-66.1-44178.8-66.8163.3000111.1L536 M548 N549 L550 C554 G555 F558 I582 H587L536-I552 HydrophobicContact CD1-CD1 4.32Å; L536-I552 HydrophobicContact CD1-CG1 4.09Å; L536-I552 HydrophobicContact CD2-CG1 4.43Å; M548-I552 WeakPolarHBondContact O-CD1 3.31Å; M548-I552 VanDerWaalsContact O-CG1 3.24Å; M548-I552 WeakPolarHBondContact O-CG1 3.43Å; M548-I552 PolarHBondContact O-N 3.08Å; N549-I552 PolarHBondContact O-N 2.77Å; L550-I552 VanDerWaalsContact C-N 3.32Å; L550-I552 PolarHBondContact O-N 2.94Å; I552-C554 PolarHBondContact O-N 3.47Å; I552-G555 PolarHBondContact O-N 2.94Å; I552-F558 HydrophobicContact CD1-CD2 3.72Å; I552-F558 HydrophobicContact CD1-CE2 4.05Å; I552-F558 HydrophobicContact CG1-CD2 4.23Å; I552-I582 HydrophobicContact CD1-CD1 3.83Å; I552-I582 HydrophobicContact CD1-CG2 3.63Å; I552-H587 HydrophobicContact CG2-CB 4.3Å; I552-H587 WeakPolarHBondContact CG2-ND1 3.48Å
553S85.7Confident82.1Confident92 Ų9233.1 Ų33.164%0.64321%0.211SC*.Hα-helixtrans-65.3-29.3178.671.20000112.5N549 L550 G555N549-S553 WeakPolarHBondContact O-CB 3.26Å; N549-S553 PolarHBondContact O-N 3.48Å; N549-S553 PolarHBondContact O-OG 2.96Å; L550-S553 PolarHBondContact O-N 2.87Å; L550-S553 PolarHBondContact O-OG 3.16Å; S553-G555 VanDerWaalsContact C-N 3.27Å; S553-G555 PolarHBondContact O-N 3.2Å
554C85.1Confident81.6Confident62 Ų6238 Ų3842%0.41922%0.221SC..THydrogen-bonded Turntrans-81.74.6171.7-680000114.3L516 V522 L550 L551 I552L516-C554 HydrophobicContact CD1-CB 4.18Å; L516-C554 HydrophobicContact CD2-CB 4.24Å; V522-C554 HydrophobicContact CG2-CB 4.36Å; L550-C554 WeakPolarHBondContact O-CB 3.46Å; L550-C554 PolarHBondContact O-N 2.86Å; L550-C554 PolarHBondContact O-SG 2.71Å; L550-C554 VanDerWaalsContact O-SG 3.4Å; L551-C554 CarbonylContact O-C 3.42Å; L551-C554 PolarHBondContact O-N 3.38Å; I552-C554 PolarHBondContact O-N 3.47Å
555G81.7Confident81.1Confident39 Ų3941 Ų4140%0.40224%0.236SC..THydrogen-bonded Turntrans94.623172.400000115.6N523 L551 I552 S553N523-G555 PolarHBondContact ND2-O 3.19Å; L551-G555 PolarHBondContact O-N 3.3Å; I552-G555 PolarHBondContact O-N 2.94Å; S553-G555 VanDerWaalsContact C-N 3.27Å; S553-G555 PolarHBondContact O-N 3.2Å
556N78.9Confident80.9Confident8 Ų843.3 Ų43.34%0.04324%0.244CC..  trans-62.8135.3168.8-165.4-77.1000111V522 N523 L536 L551 F558V522-N556 HydrophobicContact CG2-CB 3.73Å; V522-N556 PolarHBondContact O-ND2 3.42Å; N523-N556 VanDerWaalsContact OD1-CA 3.29Å; N523-N556 WeakPolarHBondContact OD1-CA 3.33Å; L536-N556 WeakPolarHBondContact CB-OD1 3.33Å; L536-N556 VanDerWaalsContact CD2-OD1 3.22Å; L536-N556 WeakPolarHBondContact CD2-OD1 3.42Å; L551-N556 HydrophobicContact CB-CB 4.06Å; L551-N556 WeakPolarHBondContact O-CB 3.43Å; L551-N556 PolarHBondContact O-N 2.91Å; N556-F558 PolarHBondContact O-N 3.42Å
557H77.3Confident80.6Confident55 Ų5539.5 Ų39.526%0.25523%0.225SC..  trans-71.9101.2176.3-70.4-54.5000111.7N523 D559 S560 F616N523-H557 VanDerWaalsContact CG-CD2 3.48Å; N523-H557 PolarHBondContact OD1-CD2 3.02Å; N523-H557 PolarHBondContact OD1-N 3.46Å; H557-D559 VanDerWaalsContact C-N 3.29Å; H557-D559 PolarHBondContact O-N 3.46Å; H557-S560 WeakPolarHBondContact O-CB 3.42Å; H557-S560 PolarHBondContact O-N 2.69Å; H557-S560 VanDerWaalsContact O-N 3.1Å; H557-S560 PolarHBondContact O-OG 2.66Å; H557-F616 AromaticContact CE1-CE2 3.61Å; H557-F616 AromaticContact ND1-CE2 3.88Å
558F73.6Confident80.1Confident10 Ų1039.4 Ų39.44%0.04422%0.224CC..THydrogen-bonded Turntrans-54.8-38.2-179.6-172.6-90.7000114.4I552 N556 S560 C569 I582 P584 H587I552-F558 HydrophobicContact CD1-CD2 3.72Å; I552-F558 HydrophobicContact CD1-CE2 4.05Å; I552-F558 HydrophobicContact CG1-CD2 4.23Å; N556-F558 PolarHBondContact O-N 3.42Å; F558-S560 VanDerWaalsContact C-N 3.3Å; F558-S560 PolarHBondContact O-N 3.05Å; F558-C569 WeakPolarHBondContact CZ-SG 3.49Å; F558-I582 HydrophobicContact CD2-CG2 4.35Å; F558-I582 HydrophobicContact CE2-CG2 3.58Å; F558-I582 HydrophobicContact CZ-CG2 4.36Å; F558-P584 HydrophobicContact CE1-CB 3.53Å; F558-P584 HydrophobicContact CE1-CG 3.95Å; F558-P584 HydrophobicContact CZ-CB 3.83Å; F558-P584 HydrophobicContact CZ-CG 3.8Å; F558-H587 HydrophobicContact CB-CB 4.06Å; F558-H587 HydrophobicContact CD2-CB 4.39Å; F558-H587 HydrophobicContact CG-CB 4.15Å
559D74Confident79.6Confident12 Ų1240.2 Ų40.26%0.06423%0.229CC..THydrogen-bonded Turntrans-87.86.5-177.6-81.78.1000113.5H557 T561 T588 C592 R596 H620H557-D559 VanDerWaalsContact C-N 3.29Å; H557-D559 PolarHBondContact O-N 3.46Å; D559-T561 PolarHBondContact O-N 3.35Å; D559-T588 WeakPolarHBondContact OD1-CG2 3.47Å; D559-T588 WeakPolarHBondContact OD2-CG2 3.23Å; D559-C592 HydrophobicContact CB-CB 4.14Å; D559-C592 VanDerWaalsContact OD2-CB 3.31Å; D559-C592 WeakPolarHBondContact OD2-CB 3.36Å; D559-R596 IonicContact OD2-NH1 3.68Å; D559-H620 PolarHBondContact O-CD2 3.11Å
560S77.2Confident79.1Confident4 Ų442.1 Ų42.13%0.02824%0.24CC..  trans-63.4135.6175.4590000110.2H537 H557 F558 L619H537-S560 PolarHBondContact CE1-O 3.38Å; H537-S560 VanDerWaalsContact CE1-O 3.25Å; H537-S560 PolarHBondContact CE1-OG 2.85Å; H537-S560 PolarHBondContact NE2-O 3.34Å; H537-S560 VanDerWaalsContact NE2-O 3.16Å; H557-S560 WeakPolarHBondContact O-CB 3.42Å; H557-S560 PolarHBondContact O-N 2.69Å; H557-S560 VanDerWaalsContact O-N 3.1Å; H557-S560 PolarHBondContact O-OG 2.66Å; F558-S560 VanDerWaalsContact C-N 3.3Å; F558-S560 PolarHBondContact O-N 3.05Å; S560-L619 WeakPolarHBondContact CA-O 3.36Å
561T77.3Confident78.6Confident13 Ų1342.8 Ų42.88%0.0824%0.243CC..BIsolated β-bridgetrans-109148.4-179.752.90000111.6R525 D559 Q566 T567 L619 R621R525-T561 PolarHBondContact NH1-O 2.97Å; R525-T561 PolarHBondContact NH2-O 3.06Å; D559-T561 PolarHBondContact O-N 3.35Å; T561-Q566 WeakPolarHBondContact CA-O 3.45Å; T561-T567 HydrophobicContact CG2-CG2 4.04Å; T561-L619 PolarHBondContact N-O 3.35Å; T561-L619 PolarHBondContact OG1-O 3.43Å; T561-R621 PolarHBondContact OG1-N 2.84Å; T561-R621 PolarHBondContact OG1-OXT 2.93Å
562N77.3Confident77.9Confident6 Ų644.1 Ų44.13%0.03225%0.25CS..  trans-77.5179.2165.979.41.5000110.4S531 H537 F564 Q565 Q566S531-N562 VanDerWaalsContact OG-CB 3.25Å; S531-N562 WeakPolarHBondContact OG-CB 3.18Å; H537-N562 PolarHBondContact NE2-N 2.65Å; N562-F564 PolarHBondContact O-N 2.99Å; N562-F564 VanDerWaalsContact O-N 3.14Å; N562-F564 WeakPolarHBondContact OD1-CA 3.38Å; N562-F564 WeakPolarHBondContact OD1-CB 3.41Å; N562-F564 PolarHBondContact OD1-N 3.41Å; N562-Q565 PolarHBondContact O-N 2.93Å; N562-Q565 PolarHBondContact OD1-N 3.35Å; N562-Q566 PolarHBondContact N-O 3.43Å; N562-Q566 PolarHBondContact ND2-OE1 3.15Å; N562-Q566 WeakPolarHBondContact OD1-CB 3.36Å; N562-Q566 PolarHBondContact OD1-N 2.92Å; N562-Q566 PolarHBondContact OD1-O 2.98Å
563A71.1Confident77Confident49 Ų4948.6 Ų48.641%0.40527%0.274SS..THydrogen-bonded Turntrans-67.7-13.9-178.900000114.3N530 S531N530-A563 WeakPolarHBondContact O-CB 3.47Å; S531-A563 PolarHBondContact OG-N 2.94Å
564F73.3Confident75.9Confident141 Ų14152.2 Ų52.262%0.61828%0.281SS*.THydrogen-bonded Turntrans-879.6172-55.3-73.2000112.4N562 Q566N562-F564 PolarHBondContact O-N 2.99Å; N562-F564 VanDerWaalsContact O-N 3.14Å; N562-F564 WeakPolarHBondContact OD1-CA 3.38Å; N562-F564 WeakPolarHBondContact OD1-CB 3.41Å; N562-F564 PolarHBondContact OD1-N 3.41Å; F564-Q566 HydrophobicContact CB-CG 4.05Å; F564-Q566 PolarHBondContact O-N 3.46Å
565Q75.1Confident74.7Confident135 Ų13556.7 Ų56.763%0.63129%0.294SS*.SBendtrans60.423.2-176.1-58.6-178.9-7.900113.7N562N562-Q565 PolarHBondContact O-N 2.93Å; N562-Q565 PolarHBondContact OD1-N 3.35Å
566Q77.6Confident73.7Confident73 Ų7357.6 Ų57.634%0.34129%0.287SS..  trans-92.9132.8177.1-59.8175-5800109.3H537 T561 N562 F564 D570 L571H537-Q566 PolarHBondContact NE2-O 2.71Å; T561-Q566 WeakPolarHBondContact CA-O 3.45Å; N562-Q566 PolarHBondContact N-O 3.43Å; N562-Q566 PolarHBondContact ND2-OE1 3.15Å; N562-Q566 WeakPolarHBondContact OD1-CB 3.36Å; N562-Q566 PolarHBondContact OD1-N 2.92Å; N562-Q566 PolarHBondContact OD1-O 2.98Å; F564-Q566 HydrophobicContact CB-CG 4.05Å; F564-Q566 PolarHBondContact O-N 3.46Å; Q566-D570 HydrophobicContact CB-CB 4.05Å; Q566-L571 HydrophobicContact CB-CD2 4.46Å
567T81.9Confident72.7Confident27 Ų2761.6 Ų61.617%0.16631%0.308CS..BIsolated β-bridgetrans-78.2166.8168.866.20000110.4T561 C569 D570T561-T567 HydrophobicContact CG2-CG2 4.04Å; T567-C569 PolarHBondContact O-N 3.08Å; T567-C569 PolarHBondContact OG1-N 3.37Å; T567-D570 WeakPolarHBondContact CB-OD2 3.34Å; T567-D570 PolarHBondContact N-OD2 2.87Å; T567-D570 PolarHBondContact O-N 3.14Å; T567-D570 VanDerWaalsContact O-N 3.08Å; T567-D570 VanDerWaalsContact OG1-CG 3.26Å; T567-D570 PolarHBondContact OG1-N 2.93Å; T567-D570 PolarHBondContact OG1-OD2 2.86Å
568A78.1Confident71.6Confident0 Ų062.6 Ų62.60%033%0.326CS..G310 helixtrans-58.1-29.9173.700000113.1L536 A540 M548 L571L536-A568 HydrophobicContact CB-CB 4.43Å; L536-A568 HydrophobicContact CD2-CB 3.78Å; L536-A568 HydrophobicContact CG-CB 3.59Å; A540-A568 HydrophobicContact CB-CB 4.1Å; A540-A568 WeakPolarHBondContact CB-O 3.49Å; M548-A568 HydrophobicContact CE-CB 4.29Å; A568-L571 PolarHBondContact O-N 2.69Å
569C76.6Confident70.8Confident17 Ų1770.2 Ų70.212%0.11535%0.354CS..G310 helixtrans-70.5-33175.8-79.60000113.6F558 T567 L571 L572 L577F558-C569 WeakPolarHBondContact CZ-SG 3.49Å; T567-C569 PolarHBondContact O-N 3.08Å; T567-C569 PolarHBondContact OG1-N 3.37Å; C569-L571 PolarHBondContact O-N 2.97Å; C569-L572 WeakPolarHBondContact O-CB 3.22Å; C569-L572 PolarHBondContact O-N 3.35Å; C569-L572 VanDerWaalsContact O-N 3.12Å; C569-L577 HydrophobicContact CB-CD1 4.34Å
570D77.2Confident69.8Low97 Ų9775.7 Ų75.752%0.51938%0.383SS..G310 helixtrans-67.9-16177.4-57.6-47.5000111.9Q566 T567Q566-D570 HydrophobicContact CB-CB 4.05Å; T567-D570 WeakPolarHBondContact CB-OD2 3.34Å; T567-D570 PolarHBondContact N-OD2 2.87Å; T567-D570 PolarHBondContact O-N 3.14Å; T567-D570 VanDerWaalsContact O-N 3.08Å; T567-D570 VanDerWaalsContact OG1-CG 3.26Å; T567-D570 PolarHBondContact OG1-N 2.93Å; T567-D570 PolarHBondContact OG1-OD2 2.86Å
571L76.6Confident69Low45 Ų4577.9 Ų77.924%0.23640%0.397CS..G310 helixtrans-90-8.9176.6-57.7177000113.3H537 A540 Q566 A568 C569H537-L571 HydrophobicContact CB-CD1 4.07Å; A540-L571 HydrophobicContact CB-CB 4.28Å; Q566-L571 HydrophobicContact CB-CD2 4.46Å; A568-L571 PolarHBondContact O-N 2.69Å; C569-L571 PolarHBondContact O-N 2.97Å
572L74.8Confident68.3Low28 Ų2878.5 Ų78.515%0.14740%0.399CS..SBendtrans-81.6144177.5-71.6176.3000111.5A540 M548 C569 L577A540-L572 HydrophobicContact CB-CD2 4.12Å; A540-L572 HydrophobicContact CB-CG 4.3Å; M548-L572 HydrophobicContact CE-CD1 3.95Å; M548-L572 HydrophobicContact CE-CG 4.37Å; M548-L572 HydrophobicContact SD-CD1 4.11Å; M548-L572 HydrophobicContact SD-CD2 3.84Å; M548-L572 HydrophobicContact SD-CG 4.32Å; C569-L572 WeakPolarHBondContact O-CB 3.22Å; C569-L572 PolarHBondContact O-N 3.35Å; C569-L572 VanDerWaalsContact O-N 3.12Å; L572-L577 HydrophobicContact CB-CD1 4.36Å; L572-L577 HydrophobicContact CD1-CD1 4.11Å
573D67.2Low67.8Low107 Ų10782.8 Ų82.857%0.57242%0.419SS*.  trans-66.2143.4170.9-168.41.8000110.5K575 E576 L577D573-K575 PolarHBondContact O-N 2.79Å; D573-E576 PolarHBondContact O-N 2.93Å; D573-L577 PolarHBondContact O-N 2.76Å; D573-L577 VanDerWaalsContact O-N 3.13Å
574E61.6Low67.5Low168 Ų16883.6 Ų83.679%0.78542%0.42SS*.Hα-helixtrans-56.2-29.5-174.2-69.3-175.3167.400112.4A578E574-A578 WeakPolarHBondContact O-CB 3.34Å; E574-A578 PolarHBondContact O-N 3.39Å
575K60.5Low67.1Low157 Ų15783.1 Ų83.168%0.68342%0.423SS*.Hα-helixtrans-72.7-33.2177.3-67.5-179.6-177.7171.30113.9D573 R579D573-K575 PolarHBondContact O-N 2.79Å; K575-R579 PolarHBondContact O-N 3.2Å
576E59.8Low66.9Low57 Ų5781.8 Ų81.827%0.26642%0.42SS..Hα-helixtrans-79.1-33.6177.1-68.5-58.1140.400110.8D573 A578 R579D573-E576 PolarHBondContact O-N 2.93Å; E576-A578 VanDerWaalsContact C-N 3.34Å; E576-R579 PolarHBondContact O-N 2.83Å; E576-R579 IonicContact OE1-CZ 2.8Å; E576-R579 IonicContact OE1-NH1 3.91Å; E576-R579 PolarHBondContact OE1-NH1 2.72Å; E576-R579 IonicContact OE2-NH1 3.03Å
577L58.4Low66.6Low93 Ų9381.9 Ų81.949%0.48742%0.42SS..Hα-helixtrans-62.7-41.2170.1-152.282.3000111.5C569 L572 D573 R579 N580C569-L577 HydrophobicContact CB-CD1 4.34Å; L572-L577 HydrophobicContact CB-CD1 4.36Å; L572-L577 HydrophobicContact CD1-CD1 4.11Å; D573-L577 PolarHBondContact O-N 2.76Å; D573-L577 VanDerWaalsContact O-N 3.13Å; L577-R579 VanDerWaalsContact C-N 3.25Å; L577-R579 PolarHBondContact O-N 2.9Å; L577-N580 PolarHBondContact O-N 3.28Å
578A53.7Low66.1Low75 Ų7582.4 Ų82.462%0.6242%0.423SS*.THydrogen-bonded Turntrans-69.3-16.5179.300000114.4E574 E576 N580E574-A578 WeakPolarHBondContact O-CB 3.34Å; E574-A578 PolarHBondContact O-N 3.39Å; E576-A578 VanDerWaalsContact C-N 3.34Å; A578-N580 PolarHBondContact O-N 2.63Å
579R57.3Low66.2Low171 Ų17185.5 Ų85.565%0.64544%0.442SS*.THydrogen-bonded Turntrans-77.56.9175.5-81.9179.2173.3154.5-3.1114.2K575 E576 L577 V581K575-R579 PolarHBondContact O-N 3.2Å; E576-R579 PolarHBondContact O-N 2.83Å; E576-R579 IonicContact OE1-CZ 2.8Å; E576-R579 IonicContact OE1-NH1 3.91Å; E576-R579 PolarHBondContact OE1-NH1 2.72Å; E576-R579 IonicContact OE2-NH1 3.03Å; L577-R579 VanDerWaalsContact C-N 3.25Å; L577-R579 PolarHBondContact O-N 2.9Å; R579-V581 VanDerWaalsContact C-N 3.29Å; R579-V581 HydrophobicContact CB-CG2 4.07Å; R579-V581 PolarHBondContact O-N 3.28Å
580N54.2Low66.4Low126 Ų12691.6 Ų91.667%0.67447%0.473SS*.THydrogen-bonded Turntrans57.831.6174.7-74.6-35.9000114.6L577 A578L577-N580 PolarHBondContact O-N 3.28Å; A578-N580 PolarHBondContact O-N 2.63Å
581V60Low66.5Low51 Ų5192.3 Ų92.331%0.30947%0.473SS..  trans-78.9-25.3-173.7-1720000112.7P545 N549 R579P545-V581 HydrophobicContact CB-CB 4.23Å; P545-V581 HydrophobicContact CB-CG1 3.76Å; N549-V581 VanDerWaalsContact ND2-CG1 3.26Å; N549-V581 WeakPolarHBondContact ND2-CG1 3.43Å; N549-V581 PolarHBondContact ND2-O 2.69Å; N549-V581 PolarHBondContact OD1-O 3.11Å; R579-V581 VanDerWaalsContact C-N 3.29Å; R579-V581 HydrophobicContact CB-CG2 4.07Å; R579-V581 PolarHBondContact O-N 3.28Å
582I62.4Low66.6Low25 Ų2590.4 Ų90.413%0.12846%0.463CS..  trans-144.9120.5179.6-45.1179.4000109.7M548 N549 I552 F558 P584M548-I582 HydrophobicContact CB-CD1 3.55Å; M548-I582 HydrophobicContact CE-CD1 3.79Å; M548-I582 HydrophobicContact CG-CD1 4.47Å; M548-I582 HydrophobicContact SD-CD1 4.14Å; N549-I582 WeakPolarHBondContact OD1-CG1 3.35Å; I552-I582 HydrophobicContact CD1-CD1 3.83Å; I552-I582 HydrophobicContact CD1-CG2 3.63Å; F558-I582 HydrophobicContact CD2-CG2 4.35Å; F558-I582 HydrophobicContact CE2-CG2 3.58Å; F558-I582 HydrophobicContact CZ-CG2 4.36Å; I582-P584 WeakPolarHBondContact O-CD 3.46Å
583Q66Low66.9Low97 Ų9793.1 Ų93.145%0.45348%0.478SS..  trans-96.7112.5176.8-72.7-174.6-3.400110.3I585 N586 H587Q583-I585 HydrophobicContact CB-CG2 4.47Å; Q583-I585 PolarHBondContact O-N 3.07Å; Q583-I585 VanDerWaalsContact O-N 3.08Å; Q583-N586 PolarHBondContact O-N 3.15Å; Q583-N586 VanDerWaalsContact O-N 3.08Å; Q583-N586 PolarHBondContact OE1-ND2 2.84Å; Q583-H587 PolarHBondContact O-CD2 2.99Å
584P64.6Low67.6Low66 Ų6690.4 Ų90.443%0.42947%0.47SS..G310 helixtrans-50.9-37.1-178.5-29.934.2000114.5F558 I582 N586 H587 T588F558-P584 HydrophobicContact CE1-CB 3.53Å; F558-P584 HydrophobicContact CE1-CG 3.95Å; F558-P584 HydrophobicContact CZ-CB 3.83Å; F558-P584 HydrophobicContact CZ-CG 3.8Å; I582-P584 WeakPolarHBondContact O-CD 3.46Å; P584-N586 PolarHBondContact O-N 3.35Å; P584-H587 PolarHBondContact O-N 3.45Å; P584-T588 PolarHBondContact O-N 3.32Å; P584-T588 VanDerWaalsContact O-N 3.15Å; P584-T588 PolarHBondContact O-OG1 2.85Å
585I65.9Low68.7Low131 Ų13182.5 Ų82.567%0.67243%0.434SS*.G310 helixtrans-64.7-25.6-175.4-158.9163.3000113.2Q583 H587 T588Q583-I585 HydrophobicContact CB-CG2 4.47Å; Q583-I585 PolarHBondContact O-N 3.07Å; Q583-I585 VanDerWaalsContact O-N 3.08Å; I585-H587 VanDerWaalsContact C-N 3.29Å; I585-H587 PolarHBondContact O-N 2.89Å; I585-T588 WeakPolarHBondContact CA-OG1 3.48Å
586N70.8Confident69.6Low106 Ų10681.3 Ų81.357%0.56743%0.425SS*.G310 helixtrans-81.1-12.6-178.4-64.9-19.3000112.5Q583 P584Q583-N586 PolarHBondContact O-N 3.15Å; Q583-N586 VanDerWaalsContact O-N 3.08Å; Q583-N586 PolarHBondContact OE1-ND2 2.84Å; P584-N586 PolarHBondContact O-N 3.35Å
587H71.4Confident70.8Confident75 Ų7580.5 Ų80.535%0.34743%0.428SS..THydrogen-bonded Turntrans-123.8-2.9-173.2-55.8-64.7000113.1I552 F558 Q583 P584 I585 T589I552-H587 HydrophobicContact CG2-CB 4.3Å; I552-H587 WeakPolarHBondContact CG2-ND1 3.48Å; F558-H587 HydrophobicContact CB-CB 4.06Å; F558-H587 HydrophobicContact CD2-CB 4.39Å; F558-H587 HydrophobicContact CG-CB 4.15Å; Q583-H587 PolarHBondContact O-CD2 2.99Å; P584-H587 PolarHBondContact O-N 3.45Å; I585-H587 VanDerWaalsContact C-N 3.29Å; I585-H587 PolarHBondContact O-N 2.89Å; H587-T589 PolarHBondContact O-N 3.09Å
588T72.1Confident72Confident39 Ų3977.7 Ų77.724%0.23941%0.413CS..  trans-80.5113.1174.98.70000110.3D559 P584 I585D559-T588 WeakPolarHBondContact OD1-CG2 3.47Å; D559-T588 WeakPolarHBondContact OD2-CG2 3.23Å; P584-T588 PolarHBondContact O-N 3.32Å; P584-T588 VanDerWaalsContact O-N 3.15Å; P584-T588 PolarHBondContact O-OG1 2.85Å; I585-T588 WeakPolarHBondContact CA-OG1 3.48Å
589T79.8Confident73.4Confident64 Ų6475.9 Ų75.939%0.39339%0.393SS..  trans-86.8160.2176.672.80000111.5H587 Q591 C592 L593H587-T589 PolarHBondContact O-N 3.09Å; T589-Q591 PolarHBondContact O-N 3.31Å; T589-Q591 PolarHBondContact OG1-N 3.17Å; T589-C592 WeakPolarHBondContact O-CB 3.5Å; T589-C592 PolarHBondContact O-N 3.03Å; T589-C592 PolarHBondContact OG1-N 3.44Å; T589-C592 PolarHBondContact OG1-SG 3.4Å; T589-L593 PolarHBondContact O-N 3Å; T589-L593 VanDerWaalsContact O-N 3.11Å
590L80.2Confident74.7Confident146 Ų14675.8 Ų75.876%0.76440%0.397SS*.Hα-helixtrans-57.5-34172.1-173.572.7000111.8L593 A594L590-L593 PolarHBondContact O-N 3.23Å; L590-A594 WeakPolarHBondContact O-CB 3.01Å; L590-A594 PolarHBondContact O-N 3.36Å
591Q79.8Confident76.3Confident112 Ų11275.6 Ų75.652%0.52339%0.392SS..Hα-helixtrans-62.9-43.5175.1-66.7178.8-17.900110.9T589 L593 A594 A595 F616T589-Q591 PolarHBondContact O-N 3.31Å; T589-Q591 PolarHBondContact OG1-N 3.17Å; Q591-L593 PolarHBondContact O-N 2.61Å; Q591-A594 PolarHBondContact O-N 2.93Å; Q591-A595 WeakPolarHBondContact O-CB 3.45Å; Q591-A595 PolarHBondContact O-N 3.21Å; Q591-F616 VanDerWaalsContact C-CE1 3.5Å; Q591-F616 HydrophobicContact CB-CE1 3.7Å; Q591-F616 HydrophobicContact CB-CZ 3.75Å; Q591-F616 WeakPolarHBondContact O-CE1 3.45Å
592C77.7Confident77.4Confident4 Ų478.5 Ų78.53%0.02741%0.414CS..Hα-helixtrans-60-44.8175-57.70000111.5D559 T589 A594 A595 R596D559-C592 HydrophobicContact CB-CB 4.14Å; D559-C592 VanDerWaalsContact OD2-CB 3.31Å; D559-C592 WeakPolarHBondContact OD2-CB 3.36Å; T589-C592 WeakPolarHBondContact O-CB 3.5Å; T589-C592 PolarHBondContact O-N 3.03Å; T589-C592 PolarHBondContact OG1-N 3.44Å; T589-C592 PolarHBondContact OG1-SG 3.4Å; C592-A594 VanDerWaalsContact C-N 3.35Å; C592-A594 PolarHBondContact O-N 3.25Å; C592-A595 PolarHBondContact O-N 3.01Å; C592-R596 WeakPolarHBondContact O-CB 3.37Å; C592-R596 VanDerWaalsContact O-CG 3.27Å; C592-R596 WeakPolarHBondContact O-CG 3.43Å; C592-R596 PolarHBondContact O-N 3.11Å
593L80.9Confident78.6Confident86 Ų8682 Ų8245%0.4543%0.432SS..Hα-helixtrans-61.9-41.2177.4-66.3174.6000112.3T589 L590 Q591 A597T589-L593 PolarHBondContact O-N 3Å; T589-L593 VanDerWaalsContact O-N 3.11Å; L590-L593 PolarHBondContact O-N 3.23Å; Q591-L593 PolarHBondContact O-N 2.61Å; L593-A597 PolarHBondContact O-N 3.25Å
594A83.6Confident79.5Confident50 Ų5084.4 Ų84.441%0.41344%0.444SS..Hα-helixtrans-66-44.1176.100000111.9L590 Q591 C592 A597 I598L590-A594 WeakPolarHBondContact O-CB 3.01Å; L590-A594 PolarHBondContact O-N 3.36Å; Q591-A594 PolarHBondContact O-N 2.93Å; C592-A594 VanDerWaalsContact C-N 3.35Å; C592-A594 PolarHBondContact O-N 3.25Å; A594-A597 PolarHBondContact O-N 3.16Å; A594-I598 WeakPolarHBondContact O-CG1 3.16Å; A594-I598 PolarHBondContact O-N 3.31Å
595A83.6Confident80.4Confident2 Ų282.3 Ų82.32%0.01743%0.427CS..Hα-helixtrans-60.8-45.1175.700000111.7Q591 C592 A597 I598 I599 F616 V617 H620Q591-A595 WeakPolarHBondContact O-CB 3.45Å; Q591-A595 PolarHBondContact O-N 3.21Å; C592-A595 PolarHBondContact O-N 3.01Å; A595-A597 VanDerWaalsContact C-N 3.31Å; A595-A597 PolarHBondContact O-N 2.61Å; A595-I598 WeakPolarHBondContact O-CB 3.42Å; A595-I598 PolarHBondContact O-N 3.49Å; A595-I598 VanDerWaalsContact O-N 3.17Å; A595-I599 WeakPolarHBondContact O-CG1 3.43Å; A595-I599 PolarHBondContact O-N 3.24Å; A595-F616 HydrophobicContact CB-CD1 4.1Å; A595-F616 HydrophobicContact CB-CE1 3.94Å; A595-V617 HydrophobicContact CB-CG2 4.09Å; A595-H620 HydrophobicContact CB-CB 4.42Å
596R80.3Confident81.2Confident131 Ų13182.5 Ų82.549%0.49442%0.42SS..Hα-helixtrans-58.5-41.9174.2-73.8172.763.6-179.91.7112.2D559 C592 I599 K600D559-R596 IonicContact OD2-NH1 3.68Å; C592-R596 WeakPolarHBondContact O-CB 3.37Å; C592-R596 VanDerWaalsContact O-CG 3.27Å; C592-R596 WeakPolarHBondContact O-CG 3.43Å; C592-R596 PolarHBondContact O-N 3.11Å; R596-I599 PolarHBondContact O-N 3.33Å; R596-K600 WeakPolarHBondContact O-CB 3.18Å; R596-K600 PolarHBondContact O-N 3.46Å
597A83.5Confident81.9Confident41 Ų4180.8 Ų80.834%0.33943%0.427SS..Hα-helixtrans-64.5-42.6176.300000111.7L593 A594 A595 H601L593-A597 PolarHBondContact O-N 3.25Å; A594-A597 PolarHBondContact O-N 3.16Å; A595-A597 VanDerWaalsContact C-N 3.31Å; A595-A597 PolarHBondContact O-N 2.61Å; A597-H601 WeakPolarHBondContact O-CB 3.28Å; A597-H601 PolarHBondContact O-CD2 2.99Å; A597-H601 VanDerWaalsContact O-CD2 3.22Å; A597-H601 PolarHBondContact O-N 3.46Å
598I84.4Confident82.6Confident33 Ų3382.6 Ų82.617%0.16944%0.439CS..Hα-helixtrans-58.4-49.2175.8-69.6164.8000110.9A594 A595 S602 L603 Y605 V617A594-I598 WeakPolarHBondContact O-CG1 3.16Å; A594-I598 PolarHBondContact O-N 3.31Å; A595-I598 WeakPolarHBondContact O-CB 3.42Å; A595-I598 PolarHBondContact O-N 3.49Å; A595-I598 VanDerWaalsContact O-N 3.17Å; I598-S602 PolarHBondContact O-N 2.99Å; I598-L603 HydrophobicContact CG1-CD1 4.34Å; I598-L603 HydrophobicContact CG2-CB 4.24Å; I598-L603 PolarHBondContact O-N 2.96Å; I598-Y605 HydrophobicContact CG2-CD1 3.49Å; I598-Y605 VanDerWaalsContact CG2-CD1 3.49Å; I598-Y605 HydrophobicContact CG2-CE1 4.22Å; I598-Y605 HydrophobicContact CG2-CG 3.96Å; I598-V617 HydrophobicContact CB-CG1 4.33Å; I598-V617 HydrophobicContact CD1-CG2 3.92Å; I598-V617 HydrophobicContact CG2-CG1 3.76Å
599I82.5Confident83.3Confident37 Ų3783.1 Ų83.119%0.1944%0.44CS..Hα-helixtrans-66.8-50179.3-63.6-57000111.2A595 R596 H601 S602 Y605 V617 H620 R621A595-I599 WeakPolarHBondContact O-CG1 3.43Å; A595-I599 PolarHBondContact O-N 3.24Å; R596-I599 PolarHBondContact O-N 3.33Å; I599-H601 VanDerWaalsContact C-N 3.25Å; I599-H601 PolarHBondContact O-N 3.29Å; I599-S602 PolarHBondContact O-N 3.17Å; I599-Y605 HydrophobicContact CD1-CE1 4.39Å; I599-V617 HydrophobicContact CD1-CG1 3.73Å; I599-V617 HydrophobicContact CG1-CG1 4.09Å; I599-H620 HydrophobicContact CG1-CB 4.37Å; I599-R621 HydrophobicContact CD1-CB 3.86Å; I599-R621 HydrophobicContact CD1-CG 4.27Å; I599-R621 HydrophobicContact CG1-CB 4.44Å
600K84.3Confident83.6Confident170 Ų17084.2 Ų84.274%0.73945%0.448SS*.Hα-helixtrans-57.5-37.6-179.3-178.1178.4179.3-179.30112.7R596R596-K600 WeakPolarHBondContact O-CB 3.18Å; R596-K600 PolarHBondContact O-N 3.46Å
601H87.8Confident83.7Confident122 Ų12285.1 Ų85.157%0.56545%0.449SS*.THydrogen-bonded Turntrans-97.86.5-179.5-65.7-71.3000113.6A597 I599 L603A597-H601 WeakPolarHBondContact O-CB 3.28Å; A597-H601 PolarHBondContact O-CD2 2.99Å; A597-H601 VanDerWaalsContact O-CD2 3.22Å; A597-H601 PolarHBondContact O-N 3.46Å; I599-H601 VanDerWaalsContact C-N 3.25Å; I599-H601 PolarHBondContact O-N 3.29Å; H601-L603 HydrophobicContact CB-CD1 4.47Å; H601-L603 HydrophobicContact CB-CD2 4.09Å; H601-L603 HydrophobicContact CB-CG 3.94Å; H601-L603 PolarHBondContact O-N 3.07Å
602S83.9Confident83.6Confident111 Ų11188.7 Ų88.778%0.77646%0.462SS*.THydrogen-bonded Turntrans51.138.3-180-60.60000113.4I598 I599I598-S602 PolarHBondContact O-N 2.99Å; I599-S602 PolarHBondContact O-N 3.17Å
603L87.8Confident83.8Confident98 Ų9891.9 Ų91.951%0.51348%0.479SS..  trans-70.5140-178.5-57.9179.4000110.2I598 H601 Y605I598-L603 HydrophobicContact CG1-CD1 4.34Å; I598-L603 HydrophobicContact CG2-CB 4.24Å; I598-L603 PolarHBondContact O-N 2.96Å; H601-L603 HydrophobicContact CB-CD1 4.47Å; H601-L603 HydrophobicContact CB-CD2 4.09Å; H601-L603 HydrophobicContact CB-CG 3.94Å; H601-L603 PolarHBondContact O-N 3.07Å; L603-Y605 WeakPolarHBondContact O-CD1 3.43Å; L603-Y605 PolarHBondContact O-N 3.17Å
604H85.1Confident83.9Confident149 Ų14989.4 Ų89.469%0.6947%0.465SS*.  trans-78109.7178.9-169.667.1000111.1N608H604-N608 PolarHBondContact CD2-ND2 2.96Å; H604-N608 PolarHBondContact O-ND2 3.13Å
605Y83.3Confident83.5Confident21 Ų2189.7 Ų89.78%0.08247%0.467CS..  trans-113.9-19.9-174.565.9-86.9000114.6I598 I599 L603 G607 N608 I609 E614 V617 L618I598-Y605 HydrophobicContact CG2-CD1 3.49Å; I598-Y605 VanDerWaalsContact CG2-CD1 3.49Å; I598-Y605 HydrophobicContact CG2-CE1 4.22Å; I598-Y605 HydrophobicContact CG2-CG 3.96Å; I599-Y605 HydrophobicContact CD1-CE1 4.39Å; L603-Y605 WeakPolarHBondContact O-CD1 3.43Å; L603-Y605 PolarHBondContact O-N 3.17Å; Y605-G607 PolarHBondContact O-N 3.09Å; Y605-N608 PolarHBondContact O-N 2.8Å; Y605-N608 VanDerWaalsContact O-N 3.12Å; Y605-I609 HydrophobicContact CD2-CD1 4.07Å; Y605-I609 PolarHBondContact O-N 2.78Å; Y605-E614 HydrophobicContact CD2-CB 4.26Å; Y605-E614 HydrophobicContact CD2-CG 4.15Å; Y605-E614 HydrophobicContact CE2-CB 4.21Å; Y605-V617 HydrophobicContact CD1-CG1 3.99Å; Y605-V617 HydrophobicContact CD2-CB 4.1Å; Y605-V617 HydrophobicContact CD2-CG1 3.97Å; Y605-V617 HydrophobicContact CD2-CG2 4.49Å; Y605-V617 HydrophobicContact CE1-CG1 3.75Å; Y605-V617 HydrophobicContact CE2-CB 3.86Å; Y605-V617 HydrophobicContact CE2-CG1 3.7Å; Y605-V617 HydrophobicContact CG-CG1 4.11Å; Y605-L618 WeakPolarHBondContact OH-CD2 3.47Å
606R83.4Confident83.3Confident136 Ų13690.6 Ų90.651%0.51347%0.471SS..THydrogen-bonded Turntrans-68.1130.7-179.4-68.4-171.6179.8-153-1.1111.5N608 E614R606-N608 PolarHBondContact O-N 3.46Å; R606-E614 WeakPolarHBondContact CA-OE1 3.41Å
607G84.6Confident83.2Confident70 Ų7084.6 Ų84.672%0.72245%0.449SS*.THydrogen-bonded Turntrans73.7-6.4-172.700000114.7Y605 E614Y605-G607 PolarHBondContact O-N 3.09Å; G607-E614 PolarHBondContact N-OE1 2.92Å
608N86.2Confident82.9Confident113 Ų11385.7 Ų85.760%0.60445%0.449SS*.THydrogen-bonded Turntrans-105-17.3-174.9-68.7-24.6000113.3H604 Y605 R606H604-N608 PolarHBondContact CD2-ND2 2.96Å; H604-N608 PolarHBondContact O-ND2 3.13Å; Y605-N608 PolarHBondContact O-N 2.8Å; Y605-N608 VanDerWaalsContact O-N 3.12Å; R606-N608 PolarHBondContact O-N 3.46Å
609I86.5Confident82.4Confident49 Ų4985.7 Ų85.725%0.25145%0.449SS..SBendtrans-127.3159.4174.967.1-178.5000109Y605 E611 L613 E614 V617Y605-I609 HydrophobicContact CD2-CD1 4.07Å; Y605-I609 PolarHBondContact O-N 2.78Å; I609-E611 PolarHBondContact O-N 3.42Å; I609-L613 HydrophobicContact CB-CB 4.45Å; I609-L613 HydrophobicContact CD1-CB 3.79Å; I609-L613 HydrophobicContact CG1-CB 4.13Å; I609-E614 HydrophobicContact CD1-CG 4.06Å; I609-E614 HydrophobicContact CG1-CB 4.5Å; I609-E614 HydrophobicContact CG1-CG 3.47Å; I609-E614 VanDerWaalsContact CG1-CG 3.47Å; I609-E614 VanDerWaalsContact O-OE1 3.14Å; I609-V617 HydrophobicContact CD1-CG2 4.06Å
610P86.8Confident82.1Confident87 Ų8784.5 Ų84.557%0.56544%0.442SS*.  trans-50.7139.9172.9-28.532.9000112.6K612 L613 E614P610-K612 PolarHBondContact O-N 2.76Å; P610-K612 VanDerWaalsContact O-N 3.08Å; P610-L613 HydrophobicContact CG-CD1 4.29Å; P610-L613 WeakPolarHBondContact O-CA 3.48Å; P610-L613 WeakPolarHBondContact O-CB 3.49Å; P610-L613 PolarHBondContact O-N 3.4Å; P610-E614 PolarHBondContact O-N 2.87Å; P610-E614 VanDerWaalsContact O-N 3.09Å
611E81.9Confident81.3Confident166 Ų16683.8 Ų83.878%0.77644%0.435SS*.Hα-helixtrans-51.8-37.5-177.4-171.5179.6-173.200113.4I609 L613 E614 A615I609-E611 PolarHBondContact O-N 3.42Å; E611-L613 VanDerWaalsContact C-N 3.28Å; E611-L613 PolarHBondContact O-N 3.14Å; E611-E614 WeakPolarHBondContact O-CB 3.28Å; E611-E614 PolarHBondContact O-N 3.47Å; E611-E614 VanDerWaalsContact O-N 3.16Å; E611-A615 PolarHBondContact O-N 3.12Å
612K78.3Confident80.9Confident186 Ų18681.9 Ų81.981%0.80943%0.428SS*.Hα-helixtrans-59.9-35.9174.3-67.3-173.3178.2-176.30113.2P610 F616P610-K612 PolarHBondContact O-N 2.76Å; P610-K612 VanDerWaalsContact O-N 3.08Å; K612-F616 PolarHBondContact O-N 3.31Å
613L81.2Confident80.8Confident72 Ų7280.3 Ų80.338%0.37741%0.41SS..Hα-helixtrans-80.3-29.4176.7-64.3179.3000111.7I609 P610 E611 F616 V617I609-L613 HydrophobicContact CB-CB 4.45Å; I609-L613 HydrophobicContact CD1-CB 3.79Å; I609-L613 HydrophobicContact CG1-CB 4.13Å; P610-L613 HydrophobicContact CG-CD1 4.29Å; P610-L613 WeakPolarHBondContact O-CA 3.48Å; P610-L613 WeakPolarHBondContact O-CB 3.49Å; P610-L613 PolarHBondContact O-N 3.4Å; E611-L613 VanDerWaalsContact C-N 3.28Å; E611-L613 PolarHBondContact O-N 3.14Å; L613-F616 WeakPolarHBondContact O-CB 3.42Å; L613-F616 PolarHBondContact O-N 2.85Å; L613-V617 VanDerWaalsContact O-CG2 3.31Å; L613-V617 WeakPolarHBondContact O-CG2 3.5Å; L613-V617 PolarHBondContact O-N 3.28Å
614E82.2Confident80.4Confident33 Ų3379.3 Ų79.315%0.15440%0.404CS..Hα-helixtrans-62.8-45.7170.5-60.3-170.4-166.800111.6Y605 R606 G607 I609 P610 E611 F616 V617 L618Y605-E614 HydrophobicContact CD2-CB 4.26Å; Y605-E614 HydrophobicContact CD2-CG 4.15Å; Y605-E614 HydrophobicContact CE2-CB 4.21Å; R606-E614 WeakPolarHBondContact CA-OE1 3.41Å; G607-E614 PolarHBondContact N-OE1 2.92Å; I609-E614 HydrophobicContact CD1-CG 4.06Å; I609-E614 HydrophobicContact CG1-CB 4.5Å; I609-E614 HydrophobicContact CG1-CG 3.47Å; I609-E614 VanDerWaalsContact CG1-CG 3.47Å; I609-E614 VanDerWaalsContact O-OE1 3.14Å; P610-E614 PolarHBondContact O-N 2.87Å; P610-E614 VanDerWaalsContact O-N 3.09Å; E611-E614 WeakPolarHBondContact O-CB 3.28Å; E611-E614 PolarHBondContact O-N 3.47Å; E611-E614 VanDerWaalsContact O-N 3.16Å; E614-F616 VanDerWaalsContact C-N 3.26Å; E614-F616 PolarHBondContact O-N 3.38Å; E614-V617 PolarHBondContact O-N 3.29Å; E614-L618 WeakPolarHBondContact O-CG 3.49Å; E614-L618 PolarHBondContact O-N 3.29Å
615A75.3Confident80.1Confident57 Ų5775.2 Ų75.247%0.47139%0.388SS..Hα-helixtrans-58.3-40.517400000111.4E611 L618 L619E611-A615 PolarHBondContact O-N 3.12Å; A615-L618 WeakPolarHBondContact O-CB 3.43Å; A615-L618 PolarHBondContact O-N 2.99Å; A615-L619 PolarHBondContact O-N 3.26Å
616F79.9Confident79.9Confident21 Ų2178.6 Ų78.69%0.09241%0.407CS..Hα-helixtrans-66.1-42.1176.1-175.6-88.8000113.2H557 Q591 A595 K612 L613 E614 L618 L619 H620H557-F616 AromaticContact CE1-CE2 3.61Å; H557-F616 AromaticContact ND1-CE2 3.88Å; Q591-F616 VanDerWaalsContact C-CE1 3.5Å; Q591-F616 HydrophobicContact CB-CE1 3.7Å; Q591-F616 HydrophobicContact CB-CZ 3.75Å; Q591-F616 WeakPolarHBondContact O-CE1 3.45Å; A595-F616 HydrophobicContact CB-CD1 4.1Å; A595-F616 HydrophobicContact CB-CE1 3.94Å; K612-F616 PolarHBondContact O-N 3.31Å; L613-F616 WeakPolarHBondContact O-CB 3.42Å; L613-F616 PolarHBondContact O-N 2.85Å; E614-F616 VanDerWaalsContact C-N 3.26Å; E614-F616 PolarHBondContact O-N 3.38Å; F616-L618 VanDerWaalsContact C-N 3.28Å; F616-L618 PolarHBondContact O-N 3.43Å; F616-L619 HydrophobicContact CD2-CD1 4.32Å; F616-L619 WeakPolarHBondContact O-CB 3.5Å; F616-L619 PolarHBondContact O-N 3.28Å; F616-L619 VanDerWaalsContact O-N 3.16Å; F616-H620 AromaticContact CE1-CE1 3.47Å; F616-H620 VanDerWaalsContact CE1-CE1 3.47Å; F616-H620 WeakPolarHBondContact CE1-CE1 3.47Å; F616-H620 AromaticContact CZ-CE1 3.67Å; F616-H620 PolarHBondContact O-ND1 3.35Å
617V79.3Confident79.7Confident5 Ų574.8 Ų74.83%0.0340%0.4CS..Hα-helixtrans-63.3-37.4175.3172.20000110.9A595 I598 I599 Y605 I609 L613 E614 L619 H620A595-V617 HydrophobicContact CB-CG2 4.09Å; I598-V617 HydrophobicContact CB-CG1 4.33Å; I598-V617 HydrophobicContact CD1-CG2 3.92Å; I598-V617 HydrophobicContact CG2-CG1 3.76Å; I599-V617 HydrophobicContact CD1-CG1 3.73Å; I599-V617 HydrophobicContact CG1-CG1 4.09Å; Y605-V617 HydrophobicContact CD1-CG1 3.99Å; Y605-V617 HydrophobicContact CD2-CB 4.1Å; Y605-V617 HydrophobicContact CD2-CG1 3.97Å; Y605-V617 HydrophobicContact CD2-CG2 4.49Å; Y605-V617 HydrophobicContact CE1-CG1 3.75Å; Y605-V617 HydrophobicContact CE2-CB 3.86Å; Y605-V617 HydrophobicContact CE2-CG1 3.7Å; Y605-V617 HydrophobicContact CG-CG1 4.11Å; I609-V617 HydrophobicContact CD1-CG2 4.06Å; L613-V617 VanDerWaalsContact O-CG2 3.31Å; L613-V617 WeakPolarHBondContact O-CG2 3.5Å; L613-V617 PolarHBondContact O-N 3.28Å; E614-V617 PolarHBondContact O-N 3.29Å; V617-L619 PolarHBondContact O-N 3.45Å; V617-H620 PolarHBondContact O-N 3.23Å
618L76.9Confident79.3Confident63 Ų6375.1 Ų75.133%0.3338%0.377SS..Hα-helixtrans-62.7-24.7175.4-73.6167.7000113.6Y605 E614 A615 F616 H620 R621Y605-L618 WeakPolarHBondContact OH-CD2 3.47Å; E614-L618 WeakPolarHBondContact O-CG 3.49Å; E614-L618 PolarHBondContact O-N 3.29Å; A615-L618 WeakPolarHBondContact O-CB 3.43Å; A615-L618 PolarHBondContact O-N 2.99Å; F616-L618 VanDerWaalsContact C-N 3.28Å; F616-L618 PolarHBondContact O-N 3.43Å; L618-H620 PolarHBondContact O-N 3.03Å; L618-R621 PolarHBondContact O-N 2.67Å
619L73.4Confident78.8Confident33 Ų3372.2 Ų72.217%0.17336%0.359CS..THydrogen-bonded Turntrans-64.9-20.3176.3-64.5174.3000113.5S560 T561 A615 F616 V617S560-L619 WeakPolarHBondContact CA-O 3.36Å; T561-L619 PolarHBondContact N-O 3.35Å; T561-L619 PolarHBondContact OG1-O 3.43Å; A615-L619 PolarHBondContact O-N 3.26Å; F616-L619 HydrophobicContact CD2-CD1 4.32Å; F616-L619 WeakPolarHBondContact O-CB 3.5Å; F616-L619 PolarHBondContact O-N 3.28Å; F616-L619 VanDerWaalsContact O-N 3.16Å; V617-L619 PolarHBondContact O-N 3.45Å
620H75.3Confident78.2Confident12 Ų1274.2 Ų74.26%0.05637%0.368CS..THydrogen-bonded Turntrans-103.910-176-58.576.7000112.7D559 A595 I599 F616 V617 L618D559-H620 PolarHBondContact O-CD2 3.11Å; A595-H620 HydrophobicContact CB-CB 4.42Å; I599-H620 HydrophobicContact CG1-CB 4.37Å; F616-H620 AromaticContact CE1-CE1 3.47Å; F616-H620 VanDerWaalsContact CE1-CE1 3.47Å; F616-H620 WeakPolarHBondContact CE1-CE1 3.47Å; F616-H620 AromaticContact CZ-CE1 3.67Å; F616-H620 PolarHBondContact O-ND1 3.35Å; V617-H620 PolarHBondContact O-N 3.23Å; L618-H620 PolarHBondContact O-N 3.03Å
621R67.4Low77.4Confident155 Ų15573 Ų7359%0.58535%0.35SS*.  trans-111.10178.5-172.3179.3-176.7-179.30.1109.2T561 I599 L618T561-R621 PolarHBondContact OG1-N 2.84Å; T561-R621 PolarHBondContact OG1-OXT 2.93Å; I599-R621 HydrophobicContact CD1-CB 3.86Å; I599-R621 HydrophobicContact CD1-CG 4.27Å; I599-R621 HydrophobicContact CG1-CB 4.44Å; L618-R621 PolarHBondContact O-N 2.67Å

Retrieved 621 of 621 residues in 687.9 ms (Link to these results)

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