A0A087XST4_POEFO Loading...

Tetratricopeptide repeat domain 34

AlphaFold DB , UniProt , Accession A0A087XST4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,080 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
1V31.7Very low60.5Low195 Ų19595.2 Ų95.2100%1.18252%0.523SS*.  098.80179.30000106.9
2C31.3Very low62.2Low116 Ų11690.7 Ų90.778%0.78451%0.507SS*.  trans-73.4130.8-176.3-65.10000109.5R4C2-R4 PolarHBondContact O-N 2.65Å
3P43Very low63.7Low102 Ų10287.5 Ų87.566%0.66249%0.489SS*.  trans-57.8134.6149.25.38.8000105.2V5P3-V5 HydrophobicContact CB-CG2 3.9Å; P3-V5 HydrophobicContact CG-CG2 3.99Å; P3-V5 PolarHBondContact O-N 2.9Å
4R49.8Very low64.9Low245 Ų24581.3 Ų81.393%0.92545%0.454SS*.  trans-66.373.1166.3-79.9-178.9172.7176.5-2.3106.9C2 N6C2-R4 PolarHBondContact O-N 2.65Å; R4-N6 PolarHBondContact O-N 3.15Å; R4-N6 VanDerWaalsContact O-N 3.13Å
5V56.1Low66Low64 Ų6478.3 Ų78.339%0.38844%0.437SS..  trans-67.1111.5171-175.40000104.3P3 V7 L10P3-V5 HydrophobicContact CB-CG2 3.9Å; P3-V5 HydrophobicContact CG-CG2 3.99Å; P3-V5 PolarHBondContact O-N 2.9Å; V5-V7 PolarHBondContact O-N 3.36Å; V5-L10 HydrophobicContact CB-CD1 4.43Å; V5-L10 HydrophobicContact CG1-CD1 3.57Å; V5-L10 HydrophobicContact CG1-CD2 3.85Å; V5-L10 HydrophobicContact CG1-CG 3.47Å; V5-L10 VanDerWaalsContact CG1-CG 3.47Å
6N67.8Low67Low92 Ų9283.6 Ų83.649%0.49245%0.448SS..  trans-66.8127-176.3-122.8-21.2000107.4R4 S8 E9 L10R4-N6 PolarHBondContact O-N 3.15Å; R4-N6 VanDerWaalsContact O-N 3.13Å; N6-S8 PolarHBondContact O-N 3.09Å; N6-S8 VanDerWaalsContact O-N 3.12Å; N6-E9 HydrophobicContact CB-CB 4.16Å; N6-E9 HydrophobicContact CB-CG 3.8Å; N6-E9 WeakPolarHBondContact O-CA 3.29Å; N6-E9 WeakPolarHBondContact O-CB 3.33Å; N6-E9 PolarHBondContact O-N 3.32Å; N6-L10 PolarHBondContact O-N 2.67Å
7V73.4Confident67.9Low30 Ų3083 Ų8318%0.18244%0.441CS..Hα-helixtrans-57.2-31.8178.9177.90000110.4V5 E9 C11 A33 H37V5-V7 PolarHBondContact O-N 3.36Å; V7-E9 VanDerWaalsContact C-N 3.34Å; V7-E9 PolarHBondContact O-N 2.75Å; V7-C11 WeakPolarHBondContact O-CB 3.33Å; V7-C11 PolarHBondContact O-N 3.5Å; V7-C11 PolarHBondContact O-SG 2.97Å; V7-C11 VanDerWaalsContact O-SG 3.38Å; V7-A33 HydrophobicContact CG1-CB 4.26Å; V7-H37 HydrophobicContact CG2-CB 3.8Å
8S73.2Confident68.6Low74 Ų7479.1 Ų79.152%0.51742%0.42SS..Hα-helixtrans-63.2-34.8172.355.30000113.7N6 A12N6-S8 PolarHBondContact O-N 3.09Å; N6-S8 VanDerWaalsContact O-N 3.12Å; S8-A12 WeakPolarHBondContact O-CB 3.48Å; S8-A12 PolarHBondContact O-N 3.34Å
9E78.8Confident69.2Low105 Ų10583.7 Ų83.749%0.49144%0.439SS..Hα-helixtrans-71.7-45.8177.9-72.1171.4175.600110.8N6 V7 C11 A12 D13N6-E9 HydrophobicContact CB-CB 4.16Å; N6-E9 HydrophobicContact CB-CG 3.8Å; N6-E9 WeakPolarHBondContact O-CA 3.29Å; N6-E9 WeakPolarHBondContact O-CB 3.33Å; N6-E9 PolarHBondContact O-N 3.32Å; V7-E9 VanDerWaalsContact C-N 3.34Å; V7-E9 PolarHBondContact O-N 2.75Å; E9-C11 VanDerWaalsContact C-N 3.31Å; E9-C11 PolarHBondContact O-N 3.44Å; E9-A12 PolarHBondContact O-N 3.44Å; E9-D13 WeakPolarHBondContact O-CB 3.49Å; E9-D13 VanDerWaalsContact O-CG 3.23Å; E9-D13 PolarHBondContact O-N 3.1Å
10L80.7Confident69.7Low22 Ų2283.3 Ų83.312%0.11544%0.443CS..Hα-helixtrans-62.6-38.9176.3-71.3170.4000112.5V5 N6 G14 L29 A33V5-L10 HydrophobicContact CB-CD1 4.43Å; V5-L10 HydrophobicContact CG1-CD1 3.57Å; V5-L10 HydrophobicContact CG1-CD2 3.85Å; V5-L10 HydrophobicContact CG1-CG 3.47Å; V5-L10 VanDerWaalsContact CG1-CG 3.47Å; N6-L10 PolarHBondContact O-N 2.67Å; L10-G14 PolarHBondContact O-N 3.39Å; L10-L29 HydrophobicContact CD2-CD2 4.11Å; L10-A33 HydrophobicContact CB-CB 3.95Å; L10-A33 HydrophobicContact CD1-CB 4.35Å
11C80Confident70Confident2 Ų281.7 Ų81.71%0.01445%0.447CS..Hα-helixtrans-68.1-40.7175.3-76.70000112V7 E9 G14 D15 Y30 H44V7-C11 WeakPolarHBondContact O-CB 3.33Å; V7-C11 PolarHBondContact O-N 3.5Å; V7-C11 PolarHBondContact O-SG 2.97Å; V7-C11 VanDerWaalsContact O-SG 3.38Å; E9-C11 VanDerWaalsContact C-N 3.31Å; E9-C11 PolarHBondContact O-N 3.44Å; C11-G14 PolarHBondContact O-N 3.16Å; C11-D15 PolarHBondContact O-N 2.89Å; C11-Y30 HydrophobicContact CB-CE1 4.44Å; C11-Y30 WeakPolarHBondContact O-CE1 3.34Å; C11-H44 HydrophobicContact CB-CB 4.37Å
12A80.6Confident72.3Confident41 Ų4176.1 Ų76.134%0.33941%0.41SS..Hα-helixtrans-68.5-34.7176.400000112.9S8 E9 D15 R16S8-A12 WeakPolarHBondContact O-CB 3.48Å; S8-A12 PolarHBondContact O-N 3.34Å; E9-A12 PolarHBondContact O-N 3.44Å; A12-D15 PolarHBondContact O-N 3.24Å; A12-R16 PolarHBondContact O-N 3.49Å; A12-R16 VanDerWaalsContact O-N 3.12Å
13D81.2Confident74.6Confident50 Ų5072.6 Ų72.627%0.26739%0.386SS..Hα-helixtrans-67.6-43.7172.6-70.3-7.9000110.3E9 D15 R16 F17 L29E9-D13 WeakPolarHBondContact O-CB 3.49Å; E9-D13 VanDerWaalsContact O-CG 3.23Å; E9-D13 PolarHBondContact O-N 3.1Å; D13-D15 VanDerWaalsContact C-N 3.28Å; D13-D15 PolarHBondContact O-N 3.25Å; D13-R16 WeakPolarHBondContact O-CB 3.34Å; D13-R16 PolarHBondContact O-N 2.97Å; D13-R16 VanDerWaalsContact O-N 3.16Å; D13-R16 IonicContact OD1-CZ 3.5Å; D13-R16 VanDerWaalsContact OD1-CZ 3.27Å; D13-R16 IonicContact OD1-NE 3.26Å; D13-R16 IonicContact OD1-NH2 3.52Å; D13-R16 PolarHBondContact OD1-NH2 2.99Å; D13-F17 VanDerWaalsContact O-CD2 3.23Å; D13-F17 WeakPolarHBondContact O-CD2 3.47Å; D13-F17 PolarHBondContact O-N 2.94Å; D13-L29 HydrophobicContact CB-CD1 3.98Å
14G80.6Confident76.2Confident0 Ų069 Ų690%037%0.367CS..Hα-helixtrans-56.4-40.6171.500000112.6L10 C11 R16 F17 L18 A26 Y30L10-G14 PolarHBondContact O-N 3.39Å; C11-G14 PolarHBondContact O-N 3.16Å; G14-R16 VanDerWaalsContact C-N 3.34Å; G14-R16 PolarHBondContact O-N 2.69Å; G14-F17 PolarHBondContact O-N 3.4Å; G14-L18 WeakPolarHBondContact O-CB 3.43Å; G14-L18 PolarHBondContact O-N 3.47Å; G14-A26 VanDerWaalsContact O-CB 3.29Å; G14-A26 WeakPolarHBondContact O-CB 3.4Å; G14-Y30 VanDerWaalsContact C-CZ 3.49Å; G14-Y30 PolarHBondContact O-OH 2.57Å
15D81.6Confident77.6Confident37 Ų3761.9 Ų61.920%0.19835%0.345CS..Hα-helixtrans-63.3-42.1177.4-77.2-25.6000111.2C11 A12 D13 F17 L18 Q19 Y30 H44 L48C11-D15 PolarHBondContact O-N 2.89Å; A12-D15 PolarHBondContact O-N 3.24Å; D13-D15 VanDerWaalsContact C-N 3.28Å; D13-D15 PolarHBondContact O-N 3.25Å; D15-F17 PolarHBondContact O-N 3.5Å; D15-L18 PolarHBondContact O-N 3.29Å; D15-Q19 WeakPolarHBondContact O-CG 3.32Å; D15-Q19 PolarHBondContact O-N 3.2Å; D15-Y30 VanDerWaalsContact CA-OH 3.29Å; D15-Y30 WeakPolarHBondContact CA-OH 3.45Å; D15-Y30 PolarHBondContact N-OH 2.92Å; D15-Y30 PolarHBondContact OD1-OH 3.18Å; D15-H44 IonicContact OD1-CE1 2.65Å; D15-H44 PolarHBondContact OD1-CE1 3.14Å; D15-H44 IonicContact OD2-CE1 3.36Å; D15-H44 PolarHBondContact OD2-CE1 3.02Å; D15-H44 IonicContact OD2-NE2 2.8Å; D15-H44 PolarHBondContact OD2-NE2 3.3Å; D15-L48 WeakPolarHBondContact OD1-CD2 3.25Å
16R82.7Confident78.8Confident162 Ų16258.9 Ų58.961%0.61133%0.326SS*.Hα-helixtrans-60.5-45176.3-76.7-171.7-89.2175.1-13.7111.7A12 D13 G14 Q19 S20A12-R16 PolarHBondContact O-N 3.49Å; A12-R16 VanDerWaalsContact O-N 3.12Å; D13-R16 WeakPolarHBondContact O-CB 3.34Å; D13-R16 PolarHBondContact O-N 2.97Å; D13-R16 VanDerWaalsContact O-N 3.16Å; D13-R16 IonicContact OD1-CZ 3.5Å; D13-R16 VanDerWaalsContact OD1-CZ 3.27Å; D13-R16 IonicContact OD1-NE 3.26Å; D13-R16 IonicContact OD1-NH2 3.52Å; D13-R16 PolarHBondContact OD1-NH2 2.99Å; G14-R16 VanDerWaalsContact C-N 3.34Å; G14-R16 PolarHBondContact O-N 2.69Å; R16-Q19 PolarHBondContact O-N 3.21Å; R16-S20 WeakPolarHBondContact O-CB 3.08Å; R16-S20 PolarHBondContact O-N 3.14Å; R16-S20 PolarHBondContact O-OG 3.31Å
17F81.4Confident79.5Confident74 Ų7454.5 Ų54.533%0.32530%0.303SS..Hα-helixtrans-69.2-33.3177.8-78.9-73.5000113.2D13 G14 D15 S20 G21 N22 E25 A26 L29D13-F17 VanDerWaalsContact O-CD2 3.23Å; D13-F17 WeakPolarHBondContact O-CD2 3.47Å; D13-F17 PolarHBondContact O-N 2.94Å; G14-F17 PolarHBondContact O-N 3.4Å; D15-F17 PolarHBondContact O-N 3.5Å; F17-S20 WeakPolarHBondContact CA-OG 3.34Å; F17-S20 PolarHBondContact O-N 3.01Å; F17-S20 PolarHBondContact O-OG 3.41Å; F17-G21 PolarHBondContact O-N 3.37Å; F17-N22 HydrophobicContact CD1-CB 4.41Å; F17-N22 CarbonylContact O-C 3.54Å; F17-N22 PolarHBondContact O-N 3.38Å; F17-E25 HydrophobicContact CD1-CB 4.15Å; F17-E25 WeakPolarHBondContact CD1-OE2 3.48Å; F17-E25 VanDerWaalsContact CE1-OE2 3.25Å; F17-E25 WeakPolarHBondContact CE1-OE2 3.43Å; F17-E25 HydrophobicContact CG-CB 4.31Å; F17-A26 HydrophobicContact CB-CB 3.87Å; F17-L29 HydrophobicContact CD2-CD1 3.41Å; F17-L29 VanDerWaalsContact CD2-CD1 3.41Å; F17-L29 HydrophobicContact CE2-CD1 3.76Å; F17-L29 HydrophobicContact CG-CD1 4.44Å
18L81.1Confident79.9Confident13 Ų1355.8 Ų55.87%0.06831%0.311CS..Hα-helixtrans-65-41.4172.9-106.9171.3000111.6G14 D15 G21 A26 Y30 L48 K55 V56G14-L18 WeakPolarHBondContact O-CB 3.43Å; G14-L18 PolarHBondContact O-N 3.47Å; D15-L18 PolarHBondContact O-N 3.29Å; L18-G21 PolarHBondContact O-N 3.08Å; L18-A26 HydrophobicContact CB-CB 4.15Å; L18-A26 HydrophobicContact CD1-CB 4.44Å; L18-A26 HydrophobicContact CG-CB 3.67Å; L18-Y30 HydrophobicContact CD1-CE2 3.48Å; L18-Y30 VanDerWaalsContact CD1-CE2 3.48Å; L18-Y30 WeakPolarHBondContact CD1-OH 3.5Å; L18-Y30 HydrophobicContact CG-CE2 4.25Å; L18-L48 HydrophobicContact CD1-CD1 4.15Å; L18-K55 HydrophobicContact CD2-CB 4.44Å; L18-V56 HydrophobicContact CD1-CG2 3.83Å; L18-V56 HydrophobicContact CD2-CG2 4.19Å; L18-V56 HydrophobicContact CG-CG2 4.29Å
19Q79.7Confident80.3Confident167 Ų16754 Ų5478%0.7830%0.296SS*.Hα-helixtrans-69.2-34.5176.6-72176.88.500112.1D15 R16 G21D15-Q19 WeakPolarHBondContact O-CG 3.32Å; D15-Q19 PolarHBondContact O-N 3.2Å; R16-Q19 PolarHBondContact O-N 3.21Å; Q19-G21 PolarHBondContact O-N 3.24Å
20S78.3Confident80.6Confident75 Ų7549 Ų4952%0.52427%0.272SS..THydrogen-bonded Turntrans-76.23.6177.274.90000114.1R16 F17R16-S20 WeakPolarHBondContact O-CB 3.08Å; R16-S20 PolarHBondContact O-N 3.14Å; R16-S20 PolarHBondContact O-OG 3.31Å; F17-S20 WeakPolarHBondContact CA-OG 3.34Å; F17-S20 PolarHBondContact O-N 3.01Å; F17-S20 PolarHBondContact O-OG 3.41Å
21G76.6Confident80.7Confident50 Ų5048.5 Ų48.552%0.51527%0.269SS..THydrogen-bonded Turntrans82.413.3177.200000115.2F17 L18 Q19 P23F17-G21 PolarHBondContact O-N 3.37Å; L18-G21 PolarHBondContact O-N 3.08Å; Q19-G21 PolarHBondContact O-N 3.24Å; G21-P23 VanDerWaalsContact C-CD 3.47Å; G21-P23 WeakPolarHBondContact O-CD 3.43Å
22N81.2Confident80.8Confident78 Ų7850.4 Ų50.442%0.41728%0.283SS..  trans-107.379.8177.1-80.4-10.6000111.2F17 G24 E25 A26F17-N22 HydrophobicContact CD1-CB 4.41Å; F17-N22 CarbonylContact O-C 3.54Å; F17-N22 PolarHBondContact O-N 3.38Å; N22-G24 VanDerWaalsContact C-N 3.27Å; N22-G24 PolarHBondContact O-N 2.91Å; N22-E25 PolarHBondContact ND2-OE2 3.49Å; N22-A26 WeakPolarHBondContact O-CB 3.45Å; N22-A26 PolarHBondContact O-N 3.35Å
23P79.3Confident80.8Confident41 Ų4148.5 Ų48.527%0.26627%0.267SS..Hα-helixtrans-67.4-26.3-178.429.4-36.2000112.7G21 T27 K55 T59G21-P23 VanDerWaalsContact C-CD 3.47Å; G21-P23 WeakPolarHBondContact O-CD 3.43Å; P23-T27 VanDerWaalsContact O-CB 3.3Å; P23-T27 WeakPolarHBondContact O-CB 3.5Å; P23-T27 PolarHBondContact O-N 3.46Å; P23-T27 PolarHBondContact O-OG1 3.11Å; P23-K55 HydrophobicContact CB-CB 4.27Å; P23-T59 HydrophobicContact CB-CG2 3.94Å; P23-T59 HydrophobicContact CG-CG2 4.12Å
24G76.4Confident80.9Confident27 Ų2746.8 Ų46.828%0.27826%0.257SS..Hα-helixtrans-65.6-52.117900000113.3N22 A26 T27 T28 W63N22-G24 VanDerWaalsContact C-N 3.27Å; N22-G24 PolarHBondContact O-N 2.91Å; G24-A26 VanDerWaalsContact C-N 3.35Å; G24-T27 PolarHBondContact O-N 3.4Å; G24-T28 PolarHBondContact O-N 3.06Å; G24-W63 WeakPolarHBondContact O-CH2 3.08Å
25E78.7Confident80.9Confident96 Ų9656 Ų5645%0.44929%0.292SS..Hα-helixtrans-67.6-35.5177.7-66.1-177.9145.400112F17 N22 T27 T28 L29F17-E25 HydrophobicContact CD1-CB 4.15Å; F17-E25 WeakPolarHBondContact CD1-OE2 3.48Å; F17-E25 VanDerWaalsContact CE1-OE2 3.25Å; F17-E25 WeakPolarHBondContact CE1-OE2 3.43Å; F17-E25 HydrophobicContact CG-CB 4.31Å; N22-E25 PolarHBondContact ND2-OE2 3.49Å; E25-T27 VanDerWaalsContact C-N 3.35Å; E25-T27 PolarHBondContact O-N 2.57Å; E25-T28 PolarHBondContact O-N 2.89Å; E25-T28 PolarHBondContact O-OG1 3.3Å; E25-L29 WeakPolarHBondContact O-CG 3.48Å; E25-L29 PolarHBondContact O-N 3.44Å; E25-L29 VanDerWaalsContact O-N 3.12Å
26A81.5Confident80.8Confident0 Ų058.2 Ų58.20%031%0.307CS..Hα-helixtrans-60.6-46.217200000111.3G14 F17 L18 N22 G24 T28 L29 Y30G14-A26 VanDerWaalsContact O-CB 3.29Å; G14-A26 WeakPolarHBondContact O-CB 3.4Å; F17-A26 HydrophobicContact CB-CB 3.87Å; L18-A26 HydrophobicContact CB-CB 4.15Å; L18-A26 HydrophobicContact CD1-CB 4.44Å; L18-A26 HydrophobicContact CG-CB 3.67Å; N22-A26 WeakPolarHBondContact O-CB 3.45Å; N22-A26 PolarHBondContact O-N 3.35Å; G24-A26 VanDerWaalsContact C-N 3.35Å; A26-T28 PolarHBondContact O-N 3.41Å; A26-L29 PolarHBondContact O-N 3.13Å; A26-Y30 HydrophobicContact CB-CD2 4.47Å; A26-Y30 HydrophobicContact CB-CE2 3.99Å; A26-Y30 WeakPolarHBondContact O-CD2 3.42Å; A26-Y30 PolarHBondContact O-N 3.48Å
27T82.4Confident80.7Confident0 Ų054.9 Ų54.90%030%0.298CS..Hα-helixtrans-64.3-35.1178.7-61.70000112.6P23 G24 E25 Y30 M31 V56 T59 L60 W63P23-T27 VanDerWaalsContact O-CB 3.3Å; P23-T27 WeakPolarHBondContact O-CB 3.5Å; P23-T27 PolarHBondContact O-N 3.46Å; P23-T27 PolarHBondContact O-OG1 3.11Å; G24-T27 PolarHBondContact O-N 3.4Å; E25-T27 VanDerWaalsContact C-N 3.35Å; E25-T27 PolarHBondContact O-N 2.57Å; T27-Y30 PolarHBondContact O-N 3.4Å; T27-M31 WeakPolarHBondContact O-CB 3.42Å; T27-M31 WeakPolarHBondContact O-CG 3.17Å; T27-M31 PolarHBondContact O-N 2.97Å; T27-V56 HydrophobicContact CG2-CG1 4.05Å; T27-T59 PolarHBondContact OG1-OG1 3.34Å; T27-L60 HydrophobicContact CG2-CD1 4.34Å; T27-L60 HydrophobicContact CG2-CD2 3.46Å; T27-L60 VanDerWaalsContact CG2-CD2 3.46Å; T27-L60 HydrophobicContact CG2-CG 3.57Å; T27-W63 HydrophobicContact CG2-CE3 4.29Å; T27-W63 HydrophobicContact CG2-CH2 3.58Å; T27-W63 HydrophobicContact CG2-CZ2 4.44Å; T27-W63 HydrophobicContact CG2-CZ3 3.51Å
28T82.2Confident80.6Confident58 Ų5853.3 Ų53.336%0.35630%0.298SS..Hα-helixtrans-67.7-40.117559.40000111.7G24 E25 A26 M31 S32 W63G24-T28 PolarHBondContact O-N 3.06Å; E25-T28 PolarHBondContact O-N 2.89Å; E25-T28 PolarHBondContact O-OG1 3.3Å; A26-T28 PolarHBondContact O-N 3.41Å; T28-M31 PolarHBondContact O-N 3.29Å; T28-S32 PolarHBondContact O-N 3.24Å; T28-W63 HydrophobicContact CG2-CH2 3.41Å; T28-W63 VanDerWaalsContact CG2-CH2 3.41Å; T28-W63 HydrophobicContact CG2-CZ2 4.02Å; T28-W63 HydrophobicContact CG2-CZ3 4.23Å
29L82.3Confident80.4Confident37 Ų3757.6 Ų57.619%0.19433%0.325CS..Hα-helixtrans-63.8-43.4174.1-70.6170.8000111.2L10 D13 F17 E25 A26 M31 S32 A33L10-L29 HydrophobicContact CD2-CD2 4.11Å; D13-L29 HydrophobicContact CB-CD1 3.98Å; F17-L29 HydrophobicContact CD2-CD1 3.41Å; F17-L29 VanDerWaalsContact CD2-CD1 3.41Å; F17-L29 HydrophobicContact CE2-CD1 3.76Å; F17-L29 HydrophobicContact CG-CD1 4.44Å; E25-L29 WeakPolarHBondContact O-CG 3.48Å; E25-L29 PolarHBondContact O-N 3.44Å; E25-L29 VanDerWaalsContact O-N 3.12Å; A26-L29 PolarHBondContact O-N 3.13Å; L29-M31 VanDerWaalsContact C-N 3.35Å; L29-M31 PolarHBondContact O-N 3.21Å; L29-S32 PolarHBondContact O-N 3.07Å; L29-S32 VanDerWaalsContact O-N 3.14Å; L29-S32 PolarHBondContact O-OG 3.15Å; L29-A33 PolarHBondContact O-N 3.39Å
30Y83.9Confident80.4Confident0 Ų051.8 Ų51.80%030%0.303CS..Hα-helixtrans-63.8-37.6173.4-65.2-47.4000113.5C11 G14 D15 L18 A26 T27 S32 A33 F34 M45 L48 V56C11-Y30 HydrophobicContact CB-CE1 4.44Å; C11-Y30 WeakPolarHBondContact O-CE1 3.34Å; G14-Y30 VanDerWaalsContact C-CZ 3.49Å; G14-Y30 PolarHBondContact O-OH 2.57Å; D15-Y30 VanDerWaalsContact CA-OH 3.29Å; D15-Y30 WeakPolarHBondContact CA-OH 3.45Å; D15-Y30 PolarHBondContact N-OH 2.92Å; D15-Y30 PolarHBondContact OD1-OH 3.18Å; L18-Y30 HydrophobicContact CD1-CE2 3.48Å; L18-Y30 VanDerWaalsContact CD1-CE2 3.48Å; L18-Y30 WeakPolarHBondContact CD1-OH 3.5Å; L18-Y30 HydrophobicContact CG-CE2 4.25Å; A26-Y30 HydrophobicContact CB-CD2 4.47Å; A26-Y30 HydrophobicContact CB-CE2 3.99Å; A26-Y30 WeakPolarHBondContact O-CD2 3.42Å; A26-Y30 PolarHBondContact O-N 3.48Å; T27-Y30 PolarHBondContact O-N 3.4Å; Y30-S32 VanDerWaalsContact C-N 3.31Å; Y30-S32 PolarHBondContact O-N 3.31Å; Y30-A33 WeakPolarHBondContact O-CB 3.5Å; Y30-A33 PolarHBondContact O-N 2.98Å; Y30-F34 WeakPolarHBondContact O-CB 3.25Å; Y30-F34 PolarHBondContact O-N 3.32Å; Y30-M45 HydrophobicContact CD1-SD 3.66Å; Y30-M45 HydrophobicContact CD2-CE 4.2Å; Y30-M45 HydrophobicContact CD2-SD 3.67Å; Y30-M45 HydrophobicContact CE1-SD 3.91Å; Y30-M45 HydrophobicContact CE2-CE 4.44Å; Y30-M45 HydrophobicContact CE2-SD 3.96Å; Y30-M45 HydrophobicContact CG-SD 3.53Å; Y30-M45 VanDerWaalsContact CG-SD 3.53Å; Y30-L48 HydrophobicContact CE2-CD1 4.49Å; Y30-V56 HydrophobicContact CD2-CG1 4.37Å; Y30-V56 HydrophobicContact CD2-CG2 4.07Å; Y30-V56 HydrophobicContact CE2-CG2 4.05Å
31M83.3Confident80.5Confident11 Ų1148.2 Ų48.25%0.05428%0.278CS..Hα-helixtrans-64.3-37172.8-82.5-171.75700112T27 T28 L29 F34 R35 L60 W63 L80 A81 F84T27-M31 WeakPolarHBondContact O-CB 3.42Å; T27-M31 WeakPolarHBondContact O-CG 3.17Å; T27-M31 PolarHBondContact O-N 2.97Å; T28-M31 PolarHBondContact O-N 3.29Å; L29-M31 VanDerWaalsContact C-N 3.35Å; L29-M31 PolarHBondContact O-N 3.21Å; M31-F34 PolarHBondContact O-N 2.88Å; M31-R35 WeakPolarHBondContact O-CB 3.36Å; M31-R35 PolarHBondContact O-N 2.69Å; M31-L60 HydrophobicContact CG-CD2 4.05Å; M31-L60 HydrophobicContact SD-CD2 3.6Å; M31-L60 VanDerWaalsContact SD-CD2 3.6Å; M31-W63 HydrophobicContact SD-CE3 3.95Å; M31-W63 HydrophobicContact SD-CZ3 3.51Å; M31-W63 VanDerWaalsContact SD-CZ3 3.51Å; M31-L80 HydrophobicContact CE-CB 3.84Å; M31-L80 HydrophobicContact CE-CD2 3.79Å; M31-L80 HydrophobicContact CE-CG 3.83Å; M31-A81 HydrophobicContact CE-CB 3.75Å; M31-A81 VanDerWaalsContact CE-N 3.34Å; M31-A81 HydrophobicContact SD-CB 3.79Å; M31-F84 HydrophobicContact CG-CD1 3.52Å; M31-F84 HydrophobicContact CG-CE1 3.99Å; M31-F84 HydrophobicContact CG-CG 4.38Å
32S81.1Confident80.6Confident42 Ų4246.5 Ų46.529%0.29426%0.257SS..Hα-helixtrans-67.7-39174.680.30000112T28 L29 Y30 F34 R35 T36T28-S32 PolarHBondContact O-N 3.24Å; L29-S32 PolarHBondContact O-N 3.07Å; L29-S32 VanDerWaalsContact O-N 3.14Å; L29-S32 PolarHBondContact O-OG 3.15Å; Y30-S32 VanDerWaalsContact C-N 3.31Å; Y30-S32 PolarHBondContact O-N 3.31Å; S32-F34 VanDerWaalsContact C-N 3.35Å; S32-R35 PolarHBondContact O-N 3.02Å; S32-T36 WeakPolarHBondContact O-CG2 3.44Å; S32-T36 PolarHBondContact O-N 3.11Å; S32-T36 VanDerWaalsContact O-N 3.13Å; S32-T36 PolarHBondContact O-OG1 2.94Å; S32-T36 VanDerWaalsContact O-OG1 3.11Å
33A81.3Confident80.6Confident0 Ų045.5 Ų45.50%026%0.257CS..Hα-helixtrans-63.5-40.1171.300000111.5V7 L10 L29 Y30 T36 H37 A41V7-A33 HydrophobicContact CG1-CB 4.26Å; L10-A33 HydrophobicContact CB-CB 3.95Å; L10-A33 HydrophobicContact CD1-CB 4.35Å; L29-A33 PolarHBondContact O-N 3.39Å; Y30-A33 WeakPolarHBondContact O-CB 3.5Å; Y30-A33 PolarHBondContact O-N 2.98Å; A33-T36 WeakPolarHBondContact CA-OG1 3.4Å; A33-T36 PolarHBondContact O-N 3.02Å; A33-T36 PolarHBondContact O-OG1 2.91Å; A33-H37 PolarHBondContact O-N 3.48Å; A33-A41 HydrophobicContact CB-CB 4.02Å
34F83.1Confident80.7Confident14 Ų1445.8 Ų45.86%0.06125%0.254CS..Hα-helixtrans-67.7-39176.6-178.5-101.3000112.5Y30 M31 S32 T36 A38 A41 V42 L80 V83 F84 T87Y30-F34 WeakPolarHBondContact O-CB 3.25Å; Y30-F34 PolarHBondContact O-N 3.32Å; M31-F34 PolarHBondContact O-N 2.88Å; S32-F34 VanDerWaalsContact C-N 3.35Å; F34-T36 VanDerWaalsContact C-N 3.28Å; F34-T36 PolarHBondContact O-N 3.37Å; F34-A38 HydrophobicContact CD2-CB 3.72Å; F34-A38 HydrophobicContact CE2-CB 3.41Å; F34-A38 VanDerWaalsContact CE2-CB 3.41Å; F34-A38 HydrophobicContact CG-CB 4.43Å; F34-A38 HydrophobicContact CZ-CB 3.88Å; F34-A38 WeakPolarHBondContact O-CA 3.39Å; F34-A38 PolarHBondContact O-N 3Å; F34-A41 HydrophobicContact CB-CB 4.03Å; F34-A41 HydrophobicContact CD2-CB 4.45Å; F34-V42 HydrophobicContact CD2-CG2 3.86Å; F34-V42 HydrophobicContact CE2-CG2 3.7Å; F34-L80 HydrophobicContact CD1-CD1 4.14Å; F34-L80 HydrophobicContact CE1-CD1 4.39Å; F34-V83 HydrophobicContact CE1-CG1 3.99Å; F34-V83 HydrophobicContact CZ-CG1 4.12Å; F34-F84 HydrophobicContact CB-CD2 3.67Å; F34-F84 HydrophobicContact CB-CE2 3.73Å; F34-F84 HydrophobicContact CB-CG 4.2Å; F34-F84 HydrophobicContact CB-CZ 4.32Å; F34-F84 HydrophobicContact CD1-CB 3.74Å; F34-F84 AromaticContact CD1-CD2 3.73Å; F34-F84 HydrophobicContact CD1-CD2 3.73Å; F34-F84 AromaticContact CD1-CG 3.97Å; F34-F84 HydrophobicContact CD1-CG 3.97Å; F34-F84 AromaticContact CD2-CD2 3.24Å; F34-F84 HydrophobicContact CD2-CD2 3.24Å; F34-F84 AromaticContact CD2-CE2 3.59Å; F34-F84 HydrophobicContact CD2-CE2 3.59Å; F34-F84 HydrophobicContact CD2-CG 4.27Å; F34-F84 HydrophobicContact CE1-CB 3.85Å; F34-F84 HydrophobicContact CE1-CD2 4.15Å; F34-F84 HydrophobicContact CE1-CG 4.41Å; F34-F84 AromaticContact CE2-CD2 3.7Å; F34-F84 HydrophobicContact CE2-CD2 3.7Å; F34-F84 HydrophobicContact CE2-CE2 4.35Å; F34-F84 HydrophobicContact CG-CB 4.18Å; F34-F84 AromaticContact CG-CD2 3.24Å; F34-F84 HydrophobicContact CG-CD2 3.24Å; F34-F84 AromaticContact CG-CE2 3.74Å; F34-F84 HydrophobicContact CG-CE2 3.74Å; F34-F84 AromaticContact CG-CG 3.88Å; F34-F84 HydrophobicContact CG-CG 3.88Å; F34-F84 HydrophobicContact CZ-CB 4.38Å; F34-F84 HydrophobicContact CZ-CD2 4.14Å; F34-T87 HydrophobicContact CE2-CG2 4.15Å; F34-T87 WeakPolarHBondContact CE2-OG1 3.12Å; F34-T87 HydrophobicContact CZ-CG2 3.82Å; F34-T87 WeakPolarHBondContact CZ-OG1 3.22Å
35R80.9Confident80.9Confident195 Ų19544.5 Ų44.574%0.73624%0.241SC*.Hα-helixtrans-62.8-35.3175.1-170.4179.8178.3179.9-0.6112.4M31 S32 L80M31-R35 WeakPolarHBondContact O-CB 3.36Å; M31-R35 PolarHBondContact O-N 2.69Å; S32-R35 PolarHBondContact O-N 3.02Å; R35-L80 HydrophobicContact CB-CD1 4.39Å; R35-L80 HydrophobicContact CB-CD2 3.95Å; R35-L80 HydrophobicContact CG-CD2 4.22Å
36T79.6Confident81Confident83 Ų8348.4 Ų48.451%0.50925%0.252SS..Hα-helixtrans-81.4-45.7-18049.90000112S32 A33 F34S32-T36 WeakPolarHBondContact O-CG2 3.44Å; S32-T36 PolarHBondContact O-N 3.11Å; S32-T36 VanDerWaalsContact O-N 3.13Å; S32-T36 PolarHBondContact O-OG1 2.94Å; S32-T36 VanDerWaalsContact O-OG1 3.11Å; A33-T36 WeakPolarHBondContact CA-OG1 3.4Å; A33-T36 PolarHBondContact O-N 3.02Å; A33-T36 PolarHBondContact O-OG1 2.91Å; F34-T36 VanDerWaalsContact C-N 3.28Å; F34-T36 PolarHBondContact O-N 3.37Å
37H81.1Confident80.9Confident92 Ų9256.6 Ų56.643%0.42629%0.288SS..  trans-152.195.4175.1-157.6-97.2000112.8V7 A33 T39 S40 A41V7-H37 HydrophobicContact CG2-CB 3.8Å; A33-H37 PolarHBondContact O-N 3.48Å; H37-T39 PolarHBondContact CE1-OG1 3.26Å; H37-T39 PolarHBondContact ND1-OG1 3.49Å; H37-T39 PolarHBondContact O-N 3.37Å; H37-S40 PolarHBondContact CE1-OG 3.03Å; H37-S40 WeakPolarHBondContact ND1-CB 3.43Å; H37-S40 PolarHBondContact ND1-N 3.27Å; H37-S40 PolarHBondContact ND1-OG 2.94Å; H37-S40 PolarHBondContact O-N 3.3Å; H37-A41 PolarHBondContact O-N 3.25Å; H37-A41 VanDerWaalsContact O-N 3.09Å
38A77.7Confident80.9Confident41 Ų4158.1 Ų58.134%0.33930%0.295SS..Hα-helixtrans-56.3-44.7-172.500000114.7F34 S40 V42F34-A38 HydrophobicContact CD2-CB 3.72Å; F34-A38 HydrophobicContact CE2-CB 3.41Å; F34-A38 VanDerWaalsContact CE2-CB 3.41Å; F34-A38 HydrophobicContact CG-CB 4.43Å; F34-A38 HydrophobicContact CZ-CB 3.88Å; F34-A38 WeakPolarHBondContact O-CA 3.39Å; F34-A38 PolarHBondContact O-N 3Å; A38-S40 PolarHBondContact O-N 2.86Å; A38-V42 WeakPolarHBondContact O-CB 3.39Å; A38-V42 VanDerWaalsContact O-CG2 3.28Å; A38-V42 WeakPolarHBondContact O-CG2 3.29Å; A38-V42 PolarHBondContact O-N 3.49Å
39T78.5Confident80.7Confident102 Ų10262.1 Ų62.163%0.62631%0.31SS*.Hα-helixtrans-67.5-38.6-176.752.70000112H37 S43H37-T39 PolarHBondContact CE1-OG1 3.26Å; H37-T39 PolarHBondContact ND1-OG1 3.49Å; H37-T39 PolarHBondContact O-N 3.37Å; T39-S43 VanDerWaalsContact O-CB 3.25Å; T39-S43 WeakPolarHBondContact O-CB 3.43Å; T39-S43 PolarHBondContact O-N 2.86Å; T39-S43 PolarHBondContact O-OG 3.41Å
40S78.7Confident80.5Confident45 Ų4570.8 Ų70.832%0.31534%0.34SS..Hα-helixtrans-69.1-47.3177.9-64.70000111.3H37 A38 V42 S43 H44H37-S40 PolarHBondContact CE1-OG 3.03Å; H37-S40 WeakPolarHBondContact ND1-CB 3.43Å; H37-S40 PolarHBondContact ND1-N 3.27Å; H37-S40 PolarHBondContact ND1-OG 2.94Å; H37-S40 PolarHBondContact O-N 3.3Å; A38-S40 PolarHBondContact O-N 2.86Å; S40-V42 PolarHBondContact O-N 3.23Å; S40-S43 PolarHBondContact O-N 2.94Å; S40-S43 PolarHBondContact O-OG 3.46Å; S40-H44 PolarHBondContact O-N 3.36Å
41A80.3Confident80.2Confident1 Ų174 Ų741%0.00836%0.363CS..Hα-helixtrans-61.4-45.3177.400000111.9A33 F34 H37 S43 H44 M45A33-A41 HydrophobicContact CB-CB 4.02Å; F34-A41 HydrophobicContact CB-CB 4.03Å; F34-A41 HydrophobicContact CD2-CB 4.45Å; H37-A41 PolarHBondContact O-N 3.25Å; H37-A41 VanDerWaalsContact O-N 3.09Å; A41-S43 PolarHBondContact O-N 2.95Å; A41-H44 WeakPolarHBondContact O-CB 3.41Å; A41-H44 PolarHBondContact O-N 3.14Å; A41-M45 VanDerWaalsContact O-CG 3.27Å; A41-M45 WeakPolarHBondContact O-CG 3.24Å; A41-M45 PolarHBondContact O-N 2.97Å
42V79.8Confident80Confident13 Ų1374.7 Ų74.78%0.07937%0.369CS..Hα-helixtrans-65.7-38.6176.8172.30000111.6F34 A38 S40 H44 M45 R46 F84 L88F34-V42 HydrophobicContact CD2-CG2 3.86Å; F34-V42 HydrophobicContact CE2-CG2 3.7Å; A38-V42 WeakPolarHBondContact O-CB 3.39Å; A38-V42 VanDerWaalsContact O-CG2 3.28Å; A38-V42 WeakPolarHBondContact O-CG2 3.29Å; A38-V42 PolarHBondContact O-N 3.49Å; S40-V42 PolarHBondContact O-N 3.23Å; V42-H44 VanDerWaalsContact C-N 3.26Å; V42-H44 PolarHBondContact O-N 3.1Å; V42-M45 PolarHBondContact O-N 3.36Å; V42-R46 HydrophobicContact CG1-CG 4.49Å; V42-R46 WeakPolarHBondContact O-CG 3.49Å; V42-R46 PolarHBondContact O-N 3.32Å; V42-F84 HydrophobicContact CG2-CE2 4.37Å; V42-L88 HydrophobicContact CG1-CD2 4.25Å; V42-L88 HydrophobicContact CG2-CD2 4.17Å
43S79.7Confident80Confident58 Ų5874.5 Ų74.541%0.40636%0.364SS..Hα-helixtrans-62.7-35.4175.278.50000112.2T39 S40 A41 K47T39-S43 VanDerWaalsContact O-CB 3.25Å; T39-S43 WeakPolarHBondContact O-CB 3.43Å; T39-S43 PolarHBondContact O-N 2.86Å; T39-S43 PolarHBondContact O-OG 3.41Å; S40-S43 PolarHBondContact O-N 2.94Å; S40-S43 PolarHBondContact O-OG 3.46Å; A41-S43 PolarHBondContact O-N 2.95Å; S43-K47 WeakPolarHBondContact O-CG 3.31Å
44H82.9Confident80Confident46 Ų4678.5 Ų78.521%0.21339%0.388CS..Hα-helixtrans-68.3-49.2173.8-174-83.9000111.1C11 D15 S40 A41 V42 R46 K47 L48C11-H44 HydrophobicContact CB-CB 4.37Å; D15-H44 IonicContact OD1-CE1 2.65Å; D15-H44 PolarHBondContact OD1-CE1 3.14Å; D15-H44 IonicContact OD2-CE1 3.36Å; D15-H44 PolarHBondContact OD2-CE1 3.02Å; D15-H44 IonicContact OD2-NE2 2.8Å; D15-H44 PolarHBondContact OD2-NE2 3.3Å; S40-H44 PolarHBondContact O-N 3.36Å; A41-H44 WeakPolarHBondContact O-CB 3.41Å; A41-H44 PolarHBondContact O-N 3.14Å; V42-H44 VanDerWaalsContact C-N 3.26Å; V42-H44 PolarHBondContact O-N 3.1Å; H44-R46 PolarHBondContact O-N 3.22Å; H44-K47 WeakPolarHBondContact O-CA 3.31Å; H44-K47 WeakPolarHBondContact O-CB 3.36Å; H44-K47 PolarHBondContact O-N 3.02Å; H44-L48 PolarHBondContact O-N 3.48Å
45M80.1Confident80Confident0 Ų083 Ų830%041%0.408CS..Hα-helixtrans-57.9-34.1178.1-69.2-56.7-59.100112.9Y30 A41 V42 K47 L48 L53 V56 F84 L88Y30-M45 HydrophobicContact CD1-SD 3.66Å; Y30-M45 HydrophobicContact CD2-CE 4.2Å; Y30-M45 HydrophobicContact CD2-SD 3.67Å; Y30-M45 HydrophobicContact CE1-SD 3.91Å; Y30-M45 HydrophobicContact CE2-CE 4.44Å; Y30-M45 HydrophobicContact CE2-SD 3.96Å; Y30-M45 HydrophobicContact CG-SD 3.53Å; Y30-M45 VanDerWaalsContact CG-SD 3.53Å; A41-M45 VanDerWaalsContact O-CG 3.27Å; A41-M45 WeakPolarHBondContact O-CG 3.24Å; A41-M45 PolarHBondContact O-N 2.97Å; V42-M45 PolarHBondContact O-N 3.36Å; M45-K47 VanDerWaalsContact C-N 3.28Å; M45-K47 PolarHBondContact O-N 3.19Å; M45-L48 HydrophobicContact CE-CD1 3.56Å; M45-L48 WeakPolarHBondContact O-CB 3.39Å; M45-L48 PolarHBondContact O-N 3.37Å; M45-L48 HydrophobicContact SD-CD1 3.53Å; M45-L48 VanDerWaalsContact SD-CD1 3.53Å; M45-L53 HydrophobicContact CB-CD1 4.21Å; M45-L53 HydrophobicContact CE-CD1 3.65Å; M45-V56 HydrophobicContact CE-CB 3.75Å; M45-V56 HydrophobicContact CE-CG1 3.51Å; M45-V56 HydrophobicContact CE-CG2 3.91Å; M45-F84 HydrophobicContact CG-CE2 4.46Å; M45-F84 HydrophobicContact CG-CZ 4.05Å; M45-L88 HydrophobicContact CB-CD2 3.59Å; M45-L88 HydrophobicContact CG-CD2 4Å
46R80Confident79.9Confident178 Ų17873.7 Ų73.767%0.67237%0.373SS*.THydrogen-bonded Turntrans-72-17.9175.3-73-180-176175.53.3114.1V42 H44V42-R46 HydrophobicContact CG1-CG 4.49Å; V42-R46 WeakPolarHBondContact O-CG 3.49Å; V42-R46 PolarHBondContact O-N 3.32Å; H44-R46 PolarHBondContact O-N 3.22Å
47K80.4Confident80Confident173 Ų17370.9 Ų70.975%0.75235%0.354SS*.THydrogen-bonded Turntrans-86.8-14.3174.4-68.3174.7-178.4-178.90112.8S43 H44 M45S43-K47 WeakPolarHBondContact O-CG 3.31Å; H44-K47 WeakPolarHBondContact O-CA 3.31Å; H44-K47 WeakPolarHBondContact O-CB 3.36Å; H44-K47 PolarHBondContact O-N 3.02Å; M45-K47 VanDerWaalsContact C-N 3.28Å; M45-K47 PolarHBondContact O-N 3.19Å
48L81.1Confident80Confident31 Ų3169.2 Ų69.216%0.16235%0.353CS..SBendtrans-65.8154.2177.6-74.9170.6000111.9D15 L18 Y30 H44 M45D15-L48 WeakPolarHBondContact OD1-CD2 3.25Å; L18-L48 HydrophobicContact CD1-CD1 4.15Å; Y30-L48 HydrophobicContact CE2-CD1 4.49Å; H44-L48 PolarHBondContact O-N 3.48Å; M45-L48 HydrophobicContact CE-CD1 3.56Å; M45-L48 WeakPolarHBondContact O-CB 3.39Å; M45-L48 PolarHBondContact O-N 3.37Å; M45-L48 HydrophobicContact SD-CD1 3.53Å; M45-L48 VanDerWaalsContact SD-CD1 3.53Å
49E79.1Confident80.2Confident143 Ų14368.5 Ų68.567%0.66834%0.344SS*.  trans-56.6142.1169.4-69.3-169.8171.800111.1S51 S52 L53E49-S51 PolarHBondContact O-N 2.98Å; E49-S52 PolarHBondContact O-N 3.49Å; E49-L53 PolarHBondContact O-N 3.22Å
50R77.1Confident80.1Confident219 Ų21963.6 Ų63.683%0.82632%0.315SS*.Hα-helixtrans-57.9-35-174.9-160.9173.8-175.3172.60.4112.5V54R50-V54 WeakPolarHBondContact O-CB 3.39Å; R50-V54 WeakPolarHBondContact O-CG2 3.42Å; R50-V54 PolarHBondContact O-N 3.49Å; R50-V54 VanDerWaalsContact O-N 3.08Å
51S78Confident80.1Confident68 Ų6864.3 Ų64.348%0.47631%0.313SS..Hα-helixtrans-64.8-42.3175.351.80000112.6E49 K55E49-S51 PolarHBondContact O-N 2.98Å; S51-K55 WeakPolarHBondContact O-CG 3.41Å; S51-K55 PolarHBondContact O-N 3.33Å
52S78.9Confident79.9Confident25 Ų2565.1 Ų65.118%0.17532%0.321CS..Hα-helixtrans-71.9-41.1179-62.20000112.1E49 V54 K55 V56E49-S52 PolarHBondContact O-N 3.49Å; S52-V54 VanDerWaalsContact C-N 3.32Å; S52-V54 PolarHBondContact O-N 3.44Å; S52-K55 PolarHBondContact O-N 3.02Å; S52-V56 PolarHBondContact O-N 3.35Å; S52-V56 VanDerWaalsContact O-N 3.14Å
53L81.4Confident79.8Confident38 Ų3866.4 Ų66.420%0.19933%0.325CS..Hα-helixtrans-61.6-40.8173.8-179.962.3000111.5M45 E49 K55 V56 I57M45-L53 HydrophobicContact CB-CD1 4.21Å; M45-L53 HydrophobicContact CE-CD1 3.65Å; E49-L53 PolarHBondContact O-N 3.22Å; L53-K55 VanDerWaalsContact C-N 3.35Å; L53-K55 PolarHBondContact O-N 3.2Å; L53-V56 PolarHBondContact O-N 3.48Å; L53-I57 HydrophobicContact CD1-CD1 4.22Å; L53-I57 HydrophobicContact CD1-CG1 4.47Å; L53-I57 HydrophobicContact CG-CD1 3.86Å; L53-I57 VanDerWaalsContact O-CG1 3.32Å; L53-I57 WeakPolarHBondContact O-CG1 3.36Å; L53-I57 PolarHBondContact O-N 3.28Å
54V82.6Confident79.6Confident84 Ų8463.7 Ų63.751%0.50931%0.305SS..Hα-helixtrans-62.4-39.7175.7168.30000111.6R50 S52 V56 I57 S58R50-V54 WeakPolarHBondContact O-CB 3.39Å; R50-V54 WeakPolarHBondContact O-CG2 3.42Å; R50-V54 PolarHBondContact O-N 3.49Å; R50-V54 VanDerWaalsContact O-N 3.08Å; S52-V54 VanDerWaalsContact C-N 3.32Å; S52-V54 PolarHBondContact O-N 3.44Å; V54-V56 VanDerWaalsContact C-N 3.33Å; V54-V56 PolarHBondContact O-N 3.28Å; V54-I57 PolarHBondContact O-N 3.08Å; V54-S58 WeakPolarHBondContact O-CB 3.38Å; V54-S58 PolarHBondContact O-N 2.86Å; V54-S58 PolarHBondContact O-OG 3.47Å
55K81.3Confident78.9Confident108 Ų10862.5 Ų62.547%0.4730%0.301SS..Hα-helixtrans-63.8-35.8175.1-70.5174.8-178.4179.90113L18 P23 S51 S52 L53 S58 T59L18-K55 HydrophobicContact CD2-CB 4.44Å; P23-K55 HydrophobicContact CB-CB 4.27Å; S51-K55 WeakPolarHBondContact O-CG 3.41Å; S51-K55 PolarHBondContact O-N 3.33Å; S52-K55 PolarHBondContact O-N 3.02Å; L53-K55 VanDerWaalsContact C-N 3.35Å; L53-K55 PolarHBondContact O-N 3.2Å; K55-S58 WeakPolarHBondContact CA-OG 3.3Å; K55-S58 PolarHBondContact O-OG 3.07Å; K55-T59 WeakPolarHBondContact O-CB 3.17Å; K55-T59 WeakPolarHBondContact O-CG2 3.22Å; K55-T59 PolarHBondContact O-N 3.5Å; K55-T59 VanDerWaalsContact O-N 3.08Å; K55-T59 PolarHBondContact O-OG1 3.22Å
56V80.6Confident78.2Confident0 Ų065.1 Ų65.10%033%0.328CS..Hα-helixtrans-71.7-41.1175.3174.40000111L18 T27 Y30 M45 S52 L53 V54 T59 L60L18-V56 HydrophobicContact CD1-CG2 3.83Å; L18-V56 HydrophobicContact CD2-CG2 4.19Å; L18-V56 HydrophobicContact CG-CG2 4.29Å; T27-V56 HydrophobicContact CG2-CG1 4.05Å; Y30-V56 HydrophobicContact CD2-CG1 4.37Å; Y30-V56 HydrophobicContact CD2-CG2 4.07Å; Y30-V56 HydrophobicContact CE2-CG2 4.05Å; M45-V56 HydrophobicContact CE-CB 3.75Å; M45-V56 HydrophobicContact CE-CG1 3.51Å; M45-V56 HydrophobicContact CE-CG2 3.91Å; S52-V56 PolarHBondContact O-N 3.35Å; S52-V56 VanDerWaalsContact O-N 3.14Å; L53-V56 PolarHBondContact O-N 3.48Å; V54-V56 VanDerWaalsContact C-N 3.33Å; V54-V56 PolarHBondContact O-N 3.28Å; V56-T59 WeakPolarHBondContact CA-OG1 3.29Å; V56-T59 PolarHBondContact O-N 3.25Å; V56-T59 PolarHBondContact O-OG1 3.49Å; V56-L60 HydrophobicContact CG1-CD1 4.15Å; V56-L60 VanDerWaalsContact O-CG 3.29Å; V56-L60 WeakPolarHBondContact O-CG 3.38Å; V56-L60 PolarHBondContact O-N 3.05Å
57I81.2Confident76.9Confident23 Ų2363 Ų6312%0.11833%0.325CS..Hα-helixtrans-61.1-48.1173.7-71.1164.7000110.5L53 V54 T59 L60 E61 L85 C89L53-I57 HydrophobicContact CD1-CD1 4.22Å; L53-I57 HydrophobicContact CD1-CG1 4.47Å; L53-I57 HydrophobicContact CG-CD1 3.86Å; L53-I57 VanDerWaalsContact O-CG1 3.32Å; L53-I57 WeakPolarHBondContact O-CG1 3.36Å; L53-I57 PolarHBondContact O-N 3.28Å; V54-I57 PolarHBondContact O-N 3.08Å; I57-T59 VanDerWaalsContact C-N 3.32Å; I57-T59 PolarHBondContact O-N 3.18Å; I57-L60 PolarHBondContact O-N 3.33Å; I57-E61 HydrophobicContact CG2-CG 4.33Å; I57-E61 WeakPolarHBondContact O-CB 2.96Å; I57-E61 WeakPolarHBondContact O-CG 3.33Å; I57-E61 PolarHBondContact O-N 3.2Å; I57-L85 HydrophobicContact CB-CD1 4.41Å; I57-L85 HydrophobicContact CG1-CD1 4.38Å; I57-L85 HydrophobicContact CG2-CD1 4.02Å; I57-C89 VanDerWaalsContact CD1-SG 3.51Å
58S81Confident75.5Confident58 Ų5856.5 Ų56.541%0.40631%0.307SS..Hα-helixtrans-66.5-31.7-17967.30000113.1V54 K55 G62V54-S58 WeakPolarHBondContact O-CB 3.38Å; V54-S58 PolarHBondContact O-N 2.86Å; V54-S58 PolarHBondContact O-OG 3.47Å; K55-S58 WeakPolarHBondContact CA-OG 3.3Å; K55-S58 PolarHBondContact O-OG 3.07Å; S58-G62 PolarHBondContact O-N 3.41Å
59T80.8Confident73.5Confident25 Ų2562.8 Ų62.815%0.15334%0.341CS..Hα-helixtrans-71.8-39.8173.740.80000111.8P23 T27 K55 V56 I57 G62 W63P23-T59 HydrophobicContact CB-CG2 3.94Å; P23-T59 HydrophobicContact CG-CG2 4.12Å; T27-T59 PolarHBondContact OG1-OG1 3.34Å; K55-T59 WeakPolarHBondContact O-CB 3.17Å; K55-T59 WeakPolarHBondContact O-CG2 3.22Å; K55-T59 PolarHBondContact O-N 3.5Å; K55-T59 VanDerWaalsContact O-N 3.08Å; K55-T59 PolarHBondContact O-OG1 3.22Å; V56-T59 WeakPolarHBondContact CA-OG1 3.29Å; V56-T59 PolarHBondContact O-N 3.25Å; V56-T59 PolarHBondContact O-OG1 3.49Å; I57-T59 VanDerWaalsContact C-N 3.32Å; I57-T59 PolarHBondContact O-N 3.18Å; T59-G62 PolarHBondContact O-N 3.49Å; T59-W63 VanDerWaalsContact O-CG 3.26Å; T59-W63 PolarHBondContact O-N 2.85Å
60L77.1Confident72Confident0 Ų063.1 Ų63.10%035%0.347CS..Hα-helixtrans-64.5-42.5172.2-69.9169.5000112.2T27 M31 V56 I57 W63 L64 A81 F84 L85 L88T27-L60 HydrophobicContact CG2-CD1 4.34Å; T27-L60 HydrophobicContact CG2-CD2 3.46Å; T27-L60 VanDerWaalsContact CG2-CD2 3.46Å; T27-L60 HydrophobicContact CG2-CG 3.57Å; M31-L60 HydrophobicContact CG-CD2 4.05Å; M31-L60 HydrophobicContact SD-CD2 3.6Å; M31-L60 VanDerWaalsContact SD-CD2 3.6Å; V56-L60 HydrophobicContact CG1-CD1 4.15Å; V56-L60 VanDerWaalsContact O-CG 3.29Å; V56-L60 WeakPolarHBondContact O-CG 3.38Å; V56-L60 PolarHBondContact O-N 3.05Å; I57-L60 PolarHBondContact O-N 3.33Å; L60-W63 HydrophobicContact CD2-CE3 4.03Å; L60-W63 HydrophobicContact CD2-CZ3 4.13Å; L60-W63 PolarHBondContact O-N 3.33Å; L60-L64 VanDerWaalsContact O-CG 3.32Å; L60-L64 WeakPolarHBondContact O-CG 3.47Å; L60-L64 PolarHBondContact O-N 3.05Å; L60-L64 VanDerWaalsContact O-N 3.13Å; L60-A81 HydrophobicContact CD2-CB 4.07Å; L60-F84 HydrophobicContact CD1-CD1 3.49Å; L60-F84 VanDerWaalsContact CD1-CD1 3.49Å; L60-F84 HydrophobicContact CD1-CE1 3.81Å; L60-F84 HydrophobicContact CD1-CG 4.34Å; L60-F84 HydrophobicContact CD2-CD1 3.94Å; L60-F84 HydrophobicContact CG-CD1 4.36Å; L60-L85 HydrophobicContact CB-CB 4.31Å; L60-L85 HydrophobicContact CB-CD1 3.94Å; L60-L85 HydrophobicContact CB-CD2 4.19Å; L60-L85 HydrophobicContact CB-CG 4.39Å; L60-L85 HydrophobicContact CD1-CB 4.34Å; L60-L85 HydrophobicContact CD1-CD1 4.11Å; L60-L88 HydrophobicContact CD1-CD1 3.99Å
61E79.1Confident70.5Confident60 Ų6061.1 Ų61.128%0.2835%0.347SS..Hα-helixtrans-59.4-48.4172.4-72.6170.6165.600110.4I57 W63 L64 D65 L85 N92I57-E61 HydrophobicContact CG2-CG 4.33Å; I57-E61 WeakPolarHBondContact O-CB 2.96Å; I57-E61 WeakPolarHBondContact O-CG 3.33Å; I57-E61 PolarHBondContact O-N 3.2Å; E61-W63 VanDerWaalsContact C-N 3.35Å; E61-W63 PolarHBondContact O-N 3.5Å; E61-L64 PolarHBondContact O-N 3.5Å; E61-L64 VanDerWaalsContact O-N 3.11Å; E61-D65 WeakPolarHBondContact O-CB 3.2Å; E61-D65 PolarHBondContact O-N 2.91Å; E61-L85 HydrophobicContact CG-CD1 4.5Å; E61-L85 HydrophobicContact CG-CD2 3.76Å; E61-N92 PolarHBondContact OE1-ND2 3.44Å
62G75.2Confident69Low17 Ų1762.6 Ų62.618%0.17536%0.358CS..Hα-helixtrans-59.5-37.6177.200000114.4S58 T59 G66 H67 G68S58-G62 PolarHBondContact O-N 3.41Å; T59-G62 PolarHBondContact O-N 3.49Å; G62-G66 PolarHBondContact O-N 3.08Å; G62-H67 PolarHBondContact O-N 3.24Å; G62-G68 PolarHBondContact O-N 3.29Å
63W78.1Confident67.4Low41 Ų4164.6 Ų64.616%0.15538%0.376CS..Hα-helixtrans-69.3-34174.9-68.5-10.9000113.3G24 T27 T28 M31 T59 L60 E61 I76G24-W63 WeakPolarHBondContact O-CH2 3.08Å; T27-W63 HydrophobicContact CG2-CE3 4.29Å; T27-W63 HydrophobicContact CG2-CH2 3.58Å; T27-W63 HydrophobicContact CG2-CZ2 4.44Å; T27-W63 HydrophobicContact CG2-CZ3 3.51Å; T28-W63 HydrophobicContact CG2-CH2 3.41Å; T28-W63 VanDerWaalsContact CG2-CH2 3.41Å; T28-W63 HydrophobicContact CG2-CZ2 4.02Å; T28-W63 HydrophobicContact CG2-CZ3 4.23Å; M31-W63 HydrophobicContact SD-CE3 3.95Å; M31-W63 HydrophobicContact SD-CZ3 3.51Å; M31-W63 VanDerWaalsContact SD-CZ3 3.51Å; T59-W63 VanDerWaalsContact O-CG 3.26Å; T59-W63 PolarHBondContact O-N 2.85Å; L60-W63 HydrophobicContact CD2-CE3 4.03Å; L60-W63 HydrophobicContact CD2-CZ3 4.13Å; L60-W63 PolarHBondContact O-N 3.33Å; E61-W63 VanDerWaalsContact C-N 3.35Å; E61-W63 PolarHBondContact O-N 3.5Å; W63-I76 HydrophobicContact CD2-CD1 3.95Å; W63-I76 HydrophobicContact CD2-CG2 4.2Å; W63-I76 HydrophobicContact CE3-CD1 4.31Å; W63-I76 HydrophobicContact CE3-CG2 3.75Å; W63-I76 HydrophobicContact CG-CD1 4.39Å; W63-I76 HydrophobicContact CH2-CD1 4.42Å; W63-I76 HydrophobicContact CZ2-CD1 4.04Å; W63-I76 HydrophobicContact CZ3-CG2 4.2Å
64L74.8Confident65.9Low0 Ų071.4 Ų71.40%041%0.413CS..Hα-helixtrans-77.5-40.6177.5-68.5173.9000111.8L60 E61 G66 K78 A81 A82 L85 A95 F98 R178L60-L64 VanDerWaalsContact O-CG 3.32Å; L60-L64 WeakPolarHBondContact O-CG 3.47Å; L60-L64 PolarHBondContact O-N 3.05Å; L60-L64 VanDerWaalsContact O-N 3.13Å; E61-L64 PolarHBondContact O-N 3.5Å; E61-L64 VanDerWaalsContact O-N 3.11Å; L64-G66 VanDerWaalsContact C-N 3.35Å; L64-K78 HydrophobicContact CD2-CB 4.28Å; L64-K78 WeakPolarHBondContact CD2-O 3.28Å; L64-A81 HydrophobicContact CD2-CB 4.2Å; L64-A82 HydrophobicContact CD1-CB 4.1Å; L64-A82 HydrophobicContact CD2-CB 3.86Å; L64-L85 HydrophobicContact CD1-CB 4.45Å; L64-L85 HydrophobicContact CD1-CD2 3.59Å; L64-A95 HydrophobicContact CD1-CB 4.23Å; L64-F98 HydrophobicContact CD2-CB 4.25Å; L64-F98 HydrophobicContact CD2-CD1 4.28Å; L64-F98 HydrophobicContact CD2-CD2 3.99Å; L64-F98 HydrophobicContact CD2-CE2 4.46Å; L64-F98 HydrophobicContact CD2-CG 3.89Å; L64-R178 PolarHBondContact O-NH1 3.08Å; L64-R178 VanDerWaalsContact O-NH1 3.15Å; L64-R178 PolarHBondContact O-NH2 3.18Å
65D68.4Low64.6Low22 Ų2270.9 Ų70.912%0.11842%0.424CS..Hα-helixtrans-81-13.5-177.7-66.6-29.7000113.9E61 S94 R178E61-D65 WeakPolarHBondContact O-CB 3.2Å; E61-D65 PolarHBondContact O-N 2.91Å; D65-S94 WeakPolarHBondContact OD1-CB 3.46Å; D65-S94 PolarHBondContact OD1-OG 2.97Å; D65-S94 VanDerWaalsContact OD2-CB 3.3Å; D65-S94 WeakPolarHBondContact OD2-CB 3.37Å; D65-S94 PolarHBondContact OD2-OG 3.14Å; D65-R178 IonicContact OD1-NH2 3.78Å; D65-R178 PolarHBondContact OD1-NH2 3.44Å
66G65.6Low63.9Low55 Ų5567.8 Ų67.857%0.56741%0.412SS*.THydrogen-bonded Turntrans85.822.8175.400000114.2G62 L64G62-G66 PolarHBondContact O-N 3.08Å; L64-G66 VanDerWaalsContact C-N 3.35Å
67H54.1Low63.7Low132 Ų13272.4 Ų72.461%0.61144%0.437SS*.  trans-106.57.9-176.7-75.7-56.8000114.8G62G62-H67 PolarHBondContact O-N 3.24Å
68G49.8Very low63.4Low37 Ų3776 Ų7638%0.38145%0.452SS..SBendtrans-83.8134.5177.600000113.4G62 N70G62-G68 PolarHBondContact O-N 3.29Å; G68-N70 PolarHBondContact O-N 3.15Å
69D39.8Very low63Low163 Ų16374.6 Ų74.687%0.87245%0.447SS*.  trans-47.9131.4176.9-82.5-39.9000112.7Q71D69-Q71 PolarHBondContact O-N 3.08Å
70N47.5Very low62.9Low150 Ų15075.2 Ų75.280%0.80245%0.449SS*.SBendtrans-67.942.8-169.1-93-27.2000115.9G68G68-N70 PolarHBondContact O-N 3.15Å
71Q45.3Very low63Low177 Ų17775.2 Ų75.283%0.82745%0.449SS*.SBendtrans-126.498.5175.7-65-175.83.400109.1D69D69-Q71 PolarHBondContact O-N 3.08Å
72S47.1Very low63Low99 Ų9972.6 Ų72.669%0.69244%0.438SS*.SBendtrans100.323.9179.978.20000119.2D74S72-D74 VanDerWaalsContact C-N 3.34Å; S72-D74 PolarHBondContact O-N 3.49Å
73A45.3Very low63.3Low68 Ų6875.7 Ų75.756%0.56245%0.453SS*.G310 helixtrans-71.7-13.4179.500000116.3G75A73-G75 VanDerWaalsContact C-N 3.26Å; A73-G75 PolarHBondContact O-N 2.84Å
74D48.3Very low63.5Low181 Ų18173.8 Ų73.897%0.96845%0.446SS*.G310 helixtrans-79.56-175.7-96.1-10.4000115.4S72S72-D74 VanDerWaalsContact C-N 3.34Å; S72-D74 PolarHBondContact O-N 3.49Å
75G56.1Low63.8Low73 Ų7373.8 Ų73.875%0.75345%0.446SS*.G310 helixtrans-124.8-2.8179.400000116A73A73-G75 VanDerWaalsContact C-N 3.26Å; A73-G75 PolarHBondContact O-N 2.84Å
76I67.5Low64.4Low43 Ų4374.6 Ų74.622%0.22145%0.454CS..  trans-93.4114-168.5-56175.1000110.9W63 K78W63-I76 HydrophobicContact CD2-CD1 3.95Å; W63-I76 HydrophobicContact CD2-CG2 4.2Å; W63-I76 HydrophobicContact CE3-CD1 4.31Å; W63-I76 HydrophobicContact CE3-CG2 3.75Å; W63-I76 HydrophobicContact CG-CD1 4.39Å; W63-I76 HydrophobicContact CH2-CD1 4.42Å; W63-I76 HydrophobicContact CZ2-CD1 4.04Å; W63-I76 HydrophobicContact CZ3-CG2 4.2Å; I76-K78 PolarHBondContact O-N 3.45Å
77N75Confident65.2Low97 Ų9774.6 Ų74.652%0.51944%0.442SS..  trans-74.695.7173.7-173.6-30.8000110.3G79 L80 A81N77-G79 PolarHBondContact O-N 3.42Å; N77-G79 WeakPolarHBondContact OD1-CA 3.4Å; N77-G79 PolarHBondContact OD1-N 3.34Å; N77-L80 HydrophobicContact CB-CB 3.97Å; N77-L80 WeakPolarHBondContact O-CB 3.25Å; N77-L80 PolarHBondContact O-N 3.49Å; N77-L80 PolarHBondContact OD1-N 3.28Å; N77-A81 PolarHBondContact O-N 2.94Å
78K75.1Confident66.4Low97 Ų9769.3 Ų69.342%0.42242%0.419SS..Hα-helixtrans-56.4-32.8178.3-66.5-174.5176.9-176.40113.3L64 I76 A81 A82 F98L64-K78 HydrophobicContact CD2-CB 4.28Å; L64-K78 WeakPolarHBondContact CD2-O 3.28Å; I76-K78 PolarHBondContact O-N 3.45Å; K78-A81 PolarHBondContact O-N 3.23Å; K78-A82 WeakPolarHBondContact O-CB 3.42Å; K78-A82 PolarHBondContact O-N 2.89Å; K78-F98 HydrophobicContact CB-CE1 4.35Å; K78-F98 HydrophobicContact CB-CE2 3.69Å; K78-F98 HydrophobicContact CB-CZ 3.52Å; K78-F98 HydrophobicContact CD-CE2 4.11Å
79G72.8Confident67.7Low30 Ų3069.2 Ų69.231%0.30941%0.412SS..Hα-helixtrans-63.2-43.9173.900000112.3N77 A82 V83N77-G79 PolarHBondContact O-N 3.42Å; N77-G79 WeakPolarHBondContact OD1-CA 3.4Å; N77-G79 PolarHBondContact OD1-N 3.34Å; G79-A82 PolarHBondContact O-N 3.15Å; G79-V83 WeakPolarHBondContact O-CG2 3.3Å; G79-V83 PolarHBondContact O-N 3.17Å; G79-V83 VanDerWaalsContact O-N 3.09Å
80L79.3Confident69.1Low37 Ų3766.2 Ų66.219%0.19440%0.401CS..Hα-helixtrans-65.8-39.2174.7-173.970.3000111.5M31 F34 R35 N77 V83 F84M31-L80 HydrophobicContact CE-CB 3.84Å; M31-L80 HydrophobicContact CE-CD2 3.79Å; M31-L80 HydrophobicContact CE-CG 3.83Å; F34-L80 HydrophobicContact CD1-CD1 4.14Å; F34-L80 HydrophobicContact CE1-CD1 4.39Å; R35-L80 HydrophobicContact CB-CD1 4.39Å; R35-L80 HydrophobicContact CB-CD2 3.95Å; R35-L80 HydrophobicContact CG-CD2 4.22Å; N77-L80 HydrophobicContact CB-CB 3.97Å; N77-L80 WeakPolarHBondContact O-CB 3.25Å; N77-L80 PolarHBondContact O-N 3.49Å; N77-L80 PolarHBondContact OD1-N 3.28Å; L80-V83 PolarHBondContact O-N 3.37Å; L80-F84 VanDerWaalsContact O-CB 3.29Å; L80-F84 WeakPolarHBondContact O-CB 3.28Å; L80-F84 PolarHBondContact O-N 3.34Å
81A78.9Confident70.2Confident0 Ų066.3 Ų66.30%040%0.402CS..Hα-helixtrans-62.7-43.1176.200000111.8M31 L60 L64 N77 K78 F84 L85M31-A81 HydrophobicContact CE-CB 3.75Å; M31-A81 VanDerWaalsContact CE-N 3.34Å; M31-A81 HydrophobicContact SD-CB 3.79Å; L60-A81 HydrophobicContact CD2-CB 4.07Å; L64-A81 HydrophobicContact CD2-CB 4.2Å; N77-A81 PolarHBondContact O-N 2.94Å; K78-A81 PolarHBondContact O-N 3.23Å; A81-F84 PolarHBondContact O-N 3Å; A81-L85 VanDerWaalsContact O-CB 3.24Å; A81-L85 WeakPolarHBondContact O-CB 3.5Å; A81-L85 PolarHBondContact O-N 3.44Å
82A78.3Confident71.8Confident6 Ų658.5 Ų58.55%0.0537%0.366CS..Hα-helixtrans-65-41.1177.200000112.4L64 K78 G79 S86 A95 F98L64-A82 HydrophobicContact CD1-CB 4.1Å; L64-A82 HydrophobicContact CD2-CB 3.86Å; K78-A82 WeakPolarHBondContact O-CB 3.42Å; K78-A82 PolarHBondContact O-N 2.89Å; G79-A82 PolarHBondContact O-N 3.15Å; A82-S86 VanDerWaalsContact O-CB 3.31Å; A82-S86 WeakPolarHBondContact O-CB 3.47Å; A82-S86 PolarHBondContact O-N 3.26Å; A82-S86 PolarHBondContact O-OG 3.1Å; A82-A95 HydrophobicContact CB-CB 4.45Å; A82-F98 HydrophobicContact CB-CB 4.4Å; A82-F98 HydrophobicContact CB-CD1 3.55Å; A82-F98 HydrophobicContact CB-CE1 4.21Å; A82-F98 HydrophobicContact CB-CG 4.22Å
83V81.2Confident73.2Confident82 Ų8256.1 Ų56.150%0.49735%0.345SS..Hα-helixtrans-65.9-44.9175.2175.70000110.2F34 G79 L80 S86 T87F34-V83 HydrophobicContact CE1-CG1 3.99Å; F34-V83 HydrophobicContact CZ-CG1 4.12Å; G79-V83 WeakPolarHBondContact O-CG2 3.3Å; G79-V83 PolarHBondContact O-N 3.17Å; G79-V83 VanDerWaalsContact O-N 3.09Å; L80-V83 PolarHBondContact O-N 3.37Å; V83-S86 PolarHBondContact O-N 3.39Å; V83-T87 WeakPolarHBondContact O-CG2 3.43Å; V83-T87 PolarHBondContact O-N 2.88Å; V83-T87 PolarHBondContact O-OG1 2.7Å
84F82.9Confident74.6Confident0 Ų053.1 Ų53.10%032%0.32CS..Hα-helixtrans-60.4-49.6178.3-175.5-143.1000111.4M31 F34 V42 M45 L60 L80 A81 S86 T87 L88M31-F84 HydrophobicContact CG-CD1 3.52Å; M31-F84 HydrophobicContact CG-CE1 3.99Å; M31-F84 HydrophobicContact CG-CG 4.38Å; F34-F84 HydrophobicContact CB-CD2 3.67Å; F34-F84 HydrophobicContact CB-CE2 3.73Å; F34-F84 HydrophobicContact CB-CG 4.2Å; F34-F84 HydrophobicContact CB-CZ 4.32Å; F34-F84 HydrophobicContact CD1-CB 3.74Å; F34-F84 AromaticContact CD1-CD2 3.73Å; F34-F84 HydrophobicContact CD1-CD2 3.73Å; F34-F84 AromaticContact CD1-CG 3.97Å; F34-F84 HydrophobicContact CD1-CG 3.97Å; F34-F84 AromaticContact CD2-CD2 3.24Å; F34-F84 HydrophobicContact CD2-CD2 3.24Å; F34-F84 AromaticContact CD2-CE2 3.59Å; F34-F84 HydrophobicContact CD2-CE2 3.59Å; F34-F84 HydrophobicContact CD2-CG 4.27Å; F34-F84 HydrophobicContact CE1-CB 3.85Å; F34-F84 HydrophobicContact CE1-CD2 4.15Å; F34-F84 HydrophobicContact CE1-CG 4.41Å; F34-F84 AromaticContact CE2-CD2 3.7Å; F34-F84 HydrophobicContact CE2-CD2 3.7Å; F34-F84 HydrophobicContact CE2-CE2 4.35Å; F34-F84 HydrophobicContact CG-CB 4.18Å; F34-F84 AromaticContact CG-CD2 3.24Å; F34-F84 HydrophobicContact CG-CD2 3.24Å; F34-F84 AromaticContact CG-CE2 3.74Å; F34-F84 HydrophobicContact CG-CE2 3.74Å; F34-F84 AromaticContact CG-CG 3.88Å; F34-F84 HydrophobicContact CG-CG 3.88Å; F34-F84 HydrophobicContact CZ-CB 4.38Å; F34-F84 HydrophobicContact CZ-CD2 4.14Å; V42-F84 HydrophobicContact CG2-CE2 4.37Å; M45-F84 HydrophobicContact CG-CE2 4.46Å; M45-F84 HydrophobicContact CG-CZ 4.05Å; L60-F84 HydrophobicContact CD1-CD1 3.49Å; L60-F84 VanDerWaalsContact CD1-CD1 3.49Å; L60-F84 HydrophobicContact CD1-CE1 3.81Å; L60-F84 HydrophobicContact CD1-CG 4.34Å; L60-F84 HydrophobicContact CD2-CD1 3.94Å; L60-F84 HydrophobicContact CG-CD1 4.36Å; L80-F84 VanDerWaalsContact O-CB 3.29Å; L80-F84 WeakPolarHBondContact O-CB 3.28Å; L80-F84 PolarHBondContact O-N 3.34Å; A81-F84 PolarHBondContact O-N 3Å; F84-S86 VanDerWaalsContact C-N 3.33Å; F84-S86 PolarHBondContact O-N 3.5Å; F84-T87 PolarHBondContact O-N 3.4Å; F84-T87 VanDerWaalsContact O-N 3.08Å; F84-T87 PolarHBondContact O-OG1 3.21Å; F84-L88 HydrophobicContact CD1-CD1 4.26Å; F84-L88 HydrophobicContact CD2-CD1 4.05Å; F84-L88 HydrophobicContact CD2-CG 4.15Å; F84-L88 HydrophobicContact CE1-CD1 3.96Å; F84-L88 HydrophobicContact CE2-CD1 3.75Å; F84-L88 HydrophobicContact CE2-CD2 4.16Å; F84-L88 HydrophobicContact CE2-CG 3.94Å; F84-L88 HydrophobicContact CG-CD1 4.32Å; F84-L88 HydrophobicContact CZ-CD1 3.71Å; F84-L88 HydrophobicContact CZ-CG 4.38Å; F84-L88 WeakPolarHBondContact O-CG 3.41Å; F84-L88 PolarHBondContact O-N 2.98Å
85L82.4Confident76Confident0 Ų044.5 Ų44.50%027%0.274CS..Hα-helixtrans-60.9-40.1176.8-171.560000112.1I57 L60 E61 L64 A81 T87 L88 C89 N92 A95I57-L85 HydrophobicContact CB-CD1 4.41Å; I57-L85 HydrophobicContact CG1-CD1 4.38Å; I57-L85 HydrophobicContact CG2-CD1 4.02Å; L60-L85 HydrophobicContact CB-CB 4.31Å; L60-L85 HydrophobicContact CB-CD1 3.94Å; L60-L85 HydrophobicContact CB-CD2 4.19Å; L60-L85 HydrophobicContact CB-CG 4.39Å; L60-L85 HydrophobicContact CD1-CB 4.34Å; L60-L85 HydrophobicContact CD1-CD1 4.11Å; E61-L85 HydrophobicContact CG-CD1 4.5Å; E61-L85 HydrophobicContact CG-CD2 3.76Å; L64-L85 HydrophobicContact CD1-CB 4.45Å; L64-L85 HydrophobicContact CD1-CD2 3.59Å; A81-L85 VanDerWaalsContact O-CB 3.24Å; A81-L85 WeakPolarHBondContact O-CB 3.5Å; A81-L85 PolarHBondContact O-N 3.44Å; L85-T87 VanDerWaalsContact C-N 3.31Å; L85-T87 PolarHBondContact O-N 2.98Å; L85-L88 PolarHBondContact O-N 3.39Å; L85-C89 WeakPolarHBondContact O-CA 3.45Å; L85-C89 PolarHBondContact O-N 3.36Å; L85-N92 HydrophobicContact CD2-CB 4.34Å; L85-N92 WeakPolarHBondContact CD2-OD1 3.41Å; L85-N92 HydrophobicContact CG-CB 4.02Å; L85-A95 HydrophobicContact CB-CB 4.16Å; L85-A95 HydrophobicContact CD2-CB 4.07Å; L85-A95 HydrophobicContact CG-CB 4.2Å
86S80.7Confident77.1Confident40 Ų4041.9 Ų41.928%0.2824%0.243SC..Hα-helixtrans-64.8-33.3175-59.20000112.6A82 V83 F84 C89 P90 A95A82-S86 VanDerWaalsContact O-CB 3.31Å; A82-S86 WeakPolarHBondContact O-CB 3.47Å; A82-S86 PolarHBondContact O-N 3.26Å; A82-S86 PolarHBondContact O-OG 3.1Å; V83-S86 PolarHBondContact O-N 3.39Å; F84-S86 VanDerWaalsContact C-N 3.33Å; F84-S86 PolarHBondContact O-N 3.5Å; S86-C89 CarbonylContact O-C 3.59Å; S86-P90 WeakPolarHBondContact O-CA 3.23Å; S86-A95 WeakPolarHBondContact OG-CB 3.43Å
87T81.6Confident77.6Confident54 Ų5439.9 Ų39.933%0.33123%0.233SC..Hα-helixtrans-77.2-31.3177.258.10000113.4F34 V83 F84 L85F34-T87 HydrophobicContact CE2-CG2 4.15Å; F34-T87 WeakPolarHBondContact CE2-OG1 3.12Å; F34-T87 HydrophobicContact CZ-CG2 3.82Å; F34-T87 WeakPolarHBondContact CZ-OG1 3.22Å; V83-T87 WeakPolarHBondContact O-CG2 3.43Å; V83-T87 PolarHBondContact O-N 2.88Å; V83-T87 PolarHBondContact O-OG1 2.7Å; F84-T87 PolarHBondContact O-N 3.4Å; F84-T87 VanDerWaalsContact O-N 3.08Å; F84-T87 PolarHBondContact O-OG1 3.21Å; L85-T87 VanDerWaalsContact C-N 3.31Å; L85-T87 PolarHBondContact O-N 2.98Å
88L79.8Confident77.9Confident21 Ų2137 Ų3711%0.1122%0.216CC..Hα-helixtrans-73.7-44.8173.3-68.5173.8000110.9V42 M45 L60 F84 L85V42-L88 HydrophobicContact CG1-CD2 4.25Å; V42-L88 HydrophobicContact CG2-CD2 4.17Å; M45-L88 HydrophobicContact CB-CD2 3.59Å; M45-L88 HydrophobicContact CG-CD2 4Å; L60-L88 HydrophobicContact CD1-CD1 3.99Å; F84-L88 HydrophobicContact CD1-CD1 4.26Å; F84-L88 HydrophobicContact CD2-CD1 4.05Å; F84-L88 HydrophobicContact CD2-CG 4.15Å; F84-L88 HydrophobicContact CE1-CD1 3.96Å; F84-L88 HydrophobicContact CE2-CD1 3.75Å; F84-L88 HydrophobicContact CE2-CD2 4.16Å; F84-L88 HydrophobicContact CE2-CG 3.94Å; F84-L88 HydrophobicContact CG-CD1 4.32Å; F84-L88 HydrophobicContact CZ-CD1 3.71Å; F84-L88 HydrophobicContact CZ-CG 4.38Å; F84-L88 WeakPolarHBondContact O-CG 3.41Å; F84-L88 PolarHBondContact O-N 2.98Å; L85-L88 PolarHBondContact O-N 3.39Å
89C77.6Confident78Confident36 Ų3639.1 Ų39.124%0.24323%0.225CC..  trans-132.191.3-176.7-69.80000110I57 L85 S86 N91 N92I57-C89 VanDerWaalsContact CD1-SG 3.51Å; L85-C89 WeakPolarHBondContact O-CA 3.45Å; L85-C89 PolarHBondContact O-N 3.36Å; S86-C89 CarbonylContact O-C 3.59Å; C89-N91 PolarHBondContact O-N 2.95Å; C89-N92 HydrophobicContact CB-CB 3.91Å; C89-N92 WeakPolarHBondContact O-CB 3.05Å; C89-N92 PolarHBondContact O-N 3.43Å
90P69.2Low78.3Confident100 Ų10038 Ų3865%0.64921%0.212SC*.THydrogen-bonded Turntrans-60.3-14.4-173.712.2-22.1000116.4S86S86-P90 WeakPolarHBondContact O-CA 3.23Å
91N70.3Confident78.2Confident152 Ų15236.9 Ų36.981%0.81321%0.206SC*.THydrogen-bonded Turntrans-118.124.5177.1-64.5-24.3000113C89 L93C89-N91 PolarHBondContact O-N 2.95Å; N91-L93 PolarHBondContact O-N 2.91Å
92N79.1Confident78Confident12 Ų1239.6 Ų39.66%0.06423%0.225CC..  trans-66.1125.9178.2-166.9-72.1000111.4E61 L85 C89 S94 A95 T96E61-N92 PolarHBondContact OE1-ND2 3.44Å; L85-N92 HydrophobicContact CD2-CB 4.34Å; L85-N92 WeakPolarHBondContact CD2-OD1 3.41Å; L85-N92 HydrophobicContact CG-CB 4.02Å; C89-N92 HydrophobicContact CB-CB 3.91Å; C89-N92 WeakPolarHBondContact O-CB 3.05Å; C89-N92 PolarHBondContact O-N 3.43Å; N92-S94 PolarHBondContact OD1-N 3.5Å; N92-S94 VanDerWaalsContact OD1-N 3.09Å; N92-A95 HydrophobicContact CB-CB 4.28Å; N92-A95 PolarHBondContact OD1-N 3.45Å; N92-T96 WeakPolarHBondContact O-CB 3.19Å; N92-T96 PolarHBondContact O-N 3.22Å; N92-T96 VanDerWaalsContact O-N 3.11Å; N92-T96 PolarHBondContact O-OG1 3.15Å
93L75.9Confident77.9Confident49 Ų4943.1 Ų43.126%0.25724%0.242SC..Hα-helixtrans-66.2-45.8-175.6-74.9165.1000111.8N91 A95 T96 I97 L121 P130 L138N91-L93 PolarHBondContact O-N 2.91Å; L93-A95 PolarHBondContact O-N 2.98Å; L93-T96 PolarHBondContact O-N 3.47Å; L93-T96 VanDerWaalsContact O-N 3.14Å; L93-I97 WeakPolarHBondContact O-CB 3.37Å; L93-I97 VanDerWaalsContact O-CG1 3.24Å; L93-I97 WeakPolarHBondContact O-CG1 3.37Å; L93-I97 PolarHBondContact O-N 3.03Å; L93-L121 HydrophobicContact CD2-CD2 4.33Å; L93-P130 HydrophobicContact CD1-CB 4.46Å; L93-L138 HydrophobicContact CD2-CD1 4.32Å
94S75.8Confident77.6Confident5 Ų539.4 Ų39.44%0.03522%0.22CC..Hα-helixtrans-63.1-41-177.5-49.40000112.3D65 N92 F98D65-S94 WeakPolarHBondContact OD1-CB 3.46Å; D65-S94 PolarHBondContact OD1-OG 2.97Å; D65-S94 VanDerWaalsContact OD2-CB 3.3Å; D65-S94 WeakPolarHBondContact OD2-CB 3.37Å; D65-S94 PolarHBondContact OD2-OG 3.14Å; N92-S94 PolarHBondContact OD1-N 3.5Å; N92-S94 VanDerWaalsContact OD1-N 3.09Å; S94-F98 WeakPolarHBondContact O-CB 3.4Å; S94-F98 PolarHBondContact O-N 2.97Å
95A76.7Confident77.1Confident0 Ų044.9 Ų44.90%025%0.245CC..Hα-helixtrans-67.6-38.5173.800000112.9L64 A82 L85 S86 N92 L93 K99L64-A95 HydrophobicContact CD1-CB 4.23Å; A82-A95 HydrophobicContact CB-CB 4.45Å; L85-A95 HydrophobicContact CB-CB 4.16Å; L85-A95 HydrophobicContact CD2-CB 4.07Å; L85-A95 HydrophobicContact CG-CB 4.2Å; S86-A95 WeakPolarHBondContact OG-CB 3.43Å; N92-A95 HydrophobicContact CB-CB 4.28Å; N92-A95 PolarHBondContact OD1-N 3.45Å; L93-A95 PolarHBondContact O-N 2.98Å; A95-K99 WeakPolarHBondContact O-CB 3.47Å; A95-K99 PolarHBondContact O-N 3.42Å; A95-K99 VanDerWaalsContact O-N 3.09Å
96T79.6Confident76.2Confident19 Ų1949.4 Ų49.412%0.11728%0.277CS..Hα-helixtrans-66.9-44.4179-57.50000111N92 L93 K99 M100 L121N92-T96 WeakPolarHBondContact O-CB 3.19Å; N92-T96 PolarHBondContact O-N 3.22Å; N92-T96 VanDerWaalsContact O-N 3.11Å; N92-T96 PolarHBondContact O-OG1 3.15Å; L93-T96 PolarHBondContact O-N 3.47Å; L93-T96 VanDerWaalsContact O-N 3.14Å; T96-K99 PolarHBondContact O-N 3.43Å; T96-M100 HydrophobicContact CG2-CE 3.63Å; T96-M100 HydrophobicContact CG2-SD 4.39Å; T96-M100 WeakPolarHBondContact O-CG 3.36Å; T96-M100 PolarHBondContact O-N 3.07Å; T96-M100 VanDerWaalsContact O-N 3.1Å; T96-L121 HydrophobicContact CG2-CD1 4.47Å
97I78.4Confident75.3Confident1 Ų150.2 Ų50.21%0.00529%0.291CS..Hα-helixtrans-64.2-47.6176.7-66.8166.4000110.5L93 K99 M100 E101 L137 L138L93-I97 WeakPolarHBondContact O-CB 3.37Å; L93-I97 VanDerWaalsContact O-CG1 3.24Å; L93-I97 WeakPolarHBondContact O-CG1 3.37Å; L93-I97 PolarHBondContact O-N 3.03Å; I97-K99 VanDerWaalsContact C-N 3.26Å; I97-K99 PolarHBondContact O-N 2.95Å; I97-M100 WeakPolarHBondContact O-CA 3.47Å; I97-M100 WeakPolarHBondContact O-CB 3.31Å; I97-M100 PolarHBondContact O-N 3.25Å; I97-E101 HydrophobicContact CG2-CG 4.24Å; I97-E101 WeakPolarHBondContact O-CG 3.45Å; I97-E101 PolarHBondContact O-N 3.43Å; I97-L137 HydrophobicContact CB-CD2 4.44Å; I97-L137 HydrophobicContact CD1-CD2 4.05Å; I97-L137 HydrophobicContact CD1-CG 4.37Å; I97-L137 HydrophobicContact CG2-CD2 3.64Å; I97-L137 HydrophobicContact CG2-CG 3.76Å; I97-L138 HydrophobicContact CD1-CB 4.2Å; I97-L138 HydrophobicContact CD1-CD1 3.91Å; I97-L138 HydrophobicContact CG1-CD1 3.88Å
98F79.8Confident74.3Confident37 Ų3749.2 Ų49.216%0.16229%0.292CS..Hα-helixtrans-57.3-40.7177.8-177.4-90.7000112.1L64 K78 A82 S94 E101 S102L64-F98 HydrophobicContact CD2-CB 4.25Å; L64-F98 HydrophobicContact CD2-CD1 4.28Å; L64-F98 HydrophobicContact CD2-CD2 3.99Å; L64-F98 HydrophobicContact CD2-CE2 4.46Å; L64-F98 HydrophobicContact CD2-CG 3.89Å; K78-F98 HydrophobicContact CB-CE1 4.35Å; K78-F98 HydrophobicContact CB-CE2 3.69Å; K78-F98 HydrophobicContact CB-CZ 3.52Å; K78-F98 HydrophobicContact CD-CE2 4.11Å; A82-F98 HydrophobicContact CB-CB 4.4Å; A82-F98 HydrophobicContact CB-CD1 3.55Å; A82-F98 HydrophobicContact CB-CE1 4.21Å; A82-F98 HydrophobicContact CB-CG 4.22Å; S94-F98 WeakPolarHBondContact O-CB 3.4Å; S94-F98 PolarHBondContact O-N 2.97Å; F98-E101 PolarHBondContact O-N 2.84Å; F98-S102 WeakPolarHBondContact O-CB 3.3Å; F98-S102 PolarHBondContact O-N 3.02Å
99K77Confident73.4Confident140 Ų14055.8 Ų55.861%0.60933%0.326SS*.Hα-helixtrans-64.2-39.6176-169.9175.6-178.9177.30112A95 T96 I97 L103A95-K99 WeakPolarHBondContact O-CB 3.47Å; A95-K99 PolarHBondContact O-N 3.42Å; A95-K99 VanDerWaalsContact O-N 3.09Å; T96-K99 PolarHBondContact O-N 3.43Å; I97-K99 VanDerWaalsContact C-N 3.26Å; I97-K99 PolarHBondContact O-N 2.95Å; K99-L103 WeakPolarHBondContact O-CG 3.44Å; K99-L103 PolarHBondContact O-N 3.42Å
100M80.1Confident72.9Confident6 Ų655.6 Ų55.63%0.0333%0.33CS..Hα-helixtrans-65.3-46.5174.6-68166.1177.100111.8T96 I97 S102 L103 L104 I114 R117 C118 L121 T141T96-M100 HydrophobicContact CG2-CE 3.63Å; T96-M100 HydrophobicContact CG2-SD 4.39Å; T96-M100 WeakPolarHBondContact O-CG 3.36Å; T96-M100 PolarHBondContact O-N 3.07Å; T96-M100 VanDerWaalsContact O-N 3.1Å; I97-M100 WeakPolarHBondContact O-CA 3.47Å; I97-M100 WeakPolarHBondContact O-CB 3.31Å; I97-M100 PolarHBondContact O-N 3.25Å; M100-S102 PolarHBondContact O-N 3.38Å; M100-L103 PolarHBondContact O-N 2.64Å; M100-L104 WeakPolarHBondContact O-CG 3.29Å; M100-L104 PolarHBondContact O-N 3.34Å; M100-I114 HydrophobicContact CB-CG2 3.99Å; M100-I114 HydrophobicContact CG-CG1 4.42Å; M100-I114 HydrophobicContact CG-CG2 4.1Å; M100-I114 HydrophobicContact SD-CG2 4.31Å; M100-R117 HydrophobicContact CE-CB 3.94Å; M100-R117 HydrophobicContact CE-CG 3.42Å; M100-R117 VanDerWaalsContact CE-CG 3.42Å; M100-C118 VanDerWaalsContact SD-SG 3.67Å; M100-L121 HydrophobicContact CE-CD1 4.19Å; M100-T141 HydrophobicContact CB-CG2 4.22Å
101E76.5Confident73.2Confident14 Ų1451.1 Ų51.17%0.06530%0.301CS..Hα-helixtrans-60.2-44177.8-71.1-177.4157.800112I97 F98 L103 L104 Q105 L137 T141 R178I97-E101 HydrophobicContact CG2-CG 4.24Å; I97-E101 WeakPolarHBondContact O-CG 3.45Å; I97-E101 PolarHBondContact O-N 3.43Å; F98-E101 PolarHBondContact O-N 2.84Å; E101-L103 VanDerWaalsContact C-N 3.28Å; E101-L103 PolarHBondContact O-N 2.85Å; E101-L104 PolarHBondContact O-N 2.93Å; E101-Q105 WeakPolarHBondContact O-CG 3.39Å; E101-Q105 PolarHBondContact O-N 3.33Å; E101-L137 WeakPolarHBondContact OE1-CD1 3.49Å; E101-T141 HydrophobicContact CG-CG2 4.38Å; E101-R178 IonicContact OE2-CZ 3.54Å; E101-R178 IonicContact OE2-NH1 3.71Å; E101-R178 PolarHBondContact OE2-NH1 3.42Å
102S76.1Confident73.5Confident58 Ų5850.1 Ų50.141%0.40629%0.292SS..Hα-helixtrans-61.4-35.8176.5-179.60000112.4F98 M100 Q105 S106F98-S102 WeakPolarHBondContact O-CB 3.3Å; F98-S102 PolarHBondContact O-N 3.02Å; M100-S102 PolarHBondContact O-N 3.38Å; S102-Q105 PolarHBondContact O-N 3.42Å; S102-S106 PolarHBondContact O-N 3.36Å
103L75.8Confident73.5Confident80 Ų8056.9 Ų56.942%0.41932%0.323SS..Hα-helixtrans-69.4-40.8175.2-71.9169.6000111.4K99 M100 E101 Q105 S106 I114K99-L103 WeakPolarHBondContact O-CG 3.44Å; K99-L103 PolarHBondContact O-N 3.42Å; M100-L103 PolarHBondContact O-N 2.64Å; E101-L103 VanDerWaalsContact C-N 3.28Å; E101-L103 PolarHBondContact O-N 2.85Å; L103-Q105 VanDerWaalsContact C-N 3.27Å; L103-Q105 PolarHBondContact O-N 3.04Å; L103-S106 PolarHBondContact O-N 3.47Å; L103-S106 VanDerWaalsContact O-N 3.11Å; L103-S106 PolarHBondContact O-OG 3.43Å; L103-I114 HydrophobicContact CB-CD1 4.08Å
104L75.1Confident73.7Confident4 Ų455.1 Ų55.12%0.02131%0.314CS..Hα-helixtrans-62.3-34175.2-67.6170.4000112.2M100 E101 C111 I114 T141 L144 A145 F148M100-L104 WeakPolarHBondContact O-CG 3.29Å; M100-L104 PolarHBondContact O-N 3.34Å; E101-L104 PolarHBondContact O-N 2.93Å; L104-C111 VanDerWaalsContact CD2-SG 3.58Å; L104-I114 HydrophobicContact CD1-CG2 4.39Å; L104-I114 HydrophobicContact CD2-CD1 3.88Å; L104-I114 HydrophobicContact CG-CD1 3.9Å; L104-T141 HydrophobicContact CD1-CG2 3.91Å; L104-L144 HydrophobicContact CB-CD2 4.43Å; L104-L144 HydrophobicContact CD1-CB 4.41Å; L104-L144 HydrophobicContact CD1-CD2 3.96Å; L104-L144 HydrophobicContact CD1-CG 4.24Å; L104-A145 HydrophobicContact CD1-CB 4.48Å; L104-A145 HydrophobicContact CD2-CB 4.15Å; L104-F148 HydrophobicContact CD2-CD2 4.25Å
105Q71.4Confident74Confident115 Ų11556.9 Ų56.954%0.53732%0.321SS..Hα-helixtrans-68.1-33.6173.5-72.1177.12.700113E101 S102 L103 G107E101-Q105 WeakPolarHBondContact O-CG 3.39Å; E101-Q105 PolarHBondContact O-N 3.33Å; S102-Q105 PolarHBondContact O-N 3.42Å; L103-Q105 VanDerWaalsContact C-N 3.27Å; L103-Q105 PolarHBondContact O-N 3.04Å; Q105-G107 VanDerWaalsContact C-N 3.27Å; Q105-G107 PolarHBondContact O-N 2.92Å
106S64.8Low74.1Confident94 Ų9459.6 Ų59.666%0.65734%0.343SS*.THydrogen-bonded Turntrans-79.87.7-174.168.40000116.1S102 L103S102-S106 PolarHBondContact O-N 3.36Å; L103-S106 PolarHBondContact O-N 3.47Å; L103-S106 VanDerWaalsContact O-N 3.11Å; L103-S106 PolarHBondContact O-OG 3.43Å
107G60.8Low74.1Confident57 Ų5765.3 Ų65.359%0.58836%0.363SS*.THydrogen-bonded Turntrans109.143.3170.100000116.3Q105 L109Q105-G107 VanDerWaalsContact C-N 3.27Å; Q105-G107 PolarHBondContact O-N 2.92Å; G107-L109 VanDerWaalsContact C-N 3.26Å; G107-L109 PolarHBondContact O-N 3.19Å
108G60.2Low74.1Confident33 Ų3365.3 Ų65.334%0.3436%0.363SS..SBendtrans73.7-5156.100000118.2G110 C111G108-G110 PolarHBondContact O-N 3.18Å; G108-C111 PolarHBondContact O-SG 3.29Å
109L60.4Low74.1Confident159 Ų15964.6 Ų64.683%0.83236%0.362SS*.THydrogen-bonded Turntrans-69.9121.8172.6-69.3163.9000109.6G107G107-L109 VanDerWaalsContact C-N 3.26Å; G107-L109 PolarHBondContact O-N 3.19Å
110G68.6Low74.2Confident32 Ų3261 Ų6133%0.3336%0.357SS..THydrogen-bonded Turntrans96.511.5178.500000116.3G108 E112 E113 I114G108-G110 PolarHBondContact O-N 3.18Å; G110-E112 VanDerWaalsContact C-N 3.33Å; G110-E112 PolarHBondContact O-N 3.24Å; G110-E113 PolarHBondContact O-N 3.04Å; G110-I114 WeakPolarHBondContact O-CG1 3.32Å; G110-I114 PolarHBondContact O-N 2.9Å
111C75.8Confident74Confident6 Ų663.7 Ų63.74%0.04137%0.372CS..Hα-helixtrans-59.4-36.2-179.1-68.80000114.2L104 G108 I114 F115 A145 F148L104-C111 VanDerWaalsContact CD2-SG 3.58Å; G108-C111 PolarHBondContact O-SG 3.29Å; C111-I114 PolarHBondContact O-N 3.5Å; C111-F115 VanDerWaalsContact O-CB 3.32Å; C111-F115 WeakPolarHBondContact O-CB 3.18Å; C111-F115 PolarHBondContact O-N 3.02Å; C111-A145 WeakPolarHBondContact CB-O 3.46Å; C111-F148 HydrophobicContact CB-CB 4.41Å; C111-F148 VanDerWaalsContact SG-CB 3.54Å
112E76.1Confident73.9Confident132 Ų13264.7 Ų64.762%0.61738%0.377SS*.Hα-helixtrans-68.4-38.2176.8-66.6-164.1154.600112.4G110 F115 A116G110-E112 VanDerWaalsContact C-N 3.33Å; G110-E112 PolarHBondContact O-N 3.24Å; E112-F115 PolarHBondContact O-N 3.31Å; E112-A116 WeakPolarHBondContact O-CB 3.47Å; E112-A116 PolarHBondContact O-N 3.32Å
113E78.5Confident73.6Confident153 Ų15368.6 Ų68.672%0.71539%0.389SS*.Hα-helixtrans-66.8-42.9175.5-64.7-177.1172.700111.1G110 F115 A116 R117G110-E113 PolarHBondContact O-N 3.04Å; E113-F115 VanDerWaalsContact C-N 3.33Å; E113-A116 PolarHBondContact O-N 3.42Å; E113-R117 WeakPolarHBondContact O-CB 3.29Å; E113-R117 PolarHBondContact O-N 3.3Å
114I80.8Confident73.1Confident12 Ų1266.7 Ų66.76%0.06239%0.389CS..Hα-helixtrans-62.5-43.2175.1-64.9170.1000109.9M100 L103 L104 G110 C111 R117 C118 T141 A145M100-I114 HydrophobicContact CB-CG2 3.99Å; M100-I114 HydrophobicContact CG-CG1 4.42Å; M100-I114 HydrophobicContact CG-CG2 4.1Å; M100-I114 HydrophobicContact SD-CG2 4.31Å; L103-I114 HydrophobicContact CB-CD1 4.08Å; L104-I114 HydrophobicContact CD1-CG2 4.39Å; L104-I114 HydrophobicContact CD2-CD1 3.88Å; L104-I114 HydrophobicContact CG-CD1 3.9Å; G110-I114 WeakPolarHBondContact O-CG1 3.32Å; G110-I114 PolarHBondContact O-N 2.9Å; C111-I114 PolarHBondContact O-N 3.5Å; I114-R117 PolarHBondContact O-N 2.91Å; I114-C118 WeakPolarHBondContact O-CB 3.46Å; I114-C118 PolarHBondContact O-N 3.09Å; I114-C118 PolarHBondContact O-SG 2.81Å; I114-T141 HydrophobicContact CG2-CG2 4.41Å; I114-A145 HydrophobicContact CB-CB 4.12Å; I114-A145 HydrophobicContact CG2-CB 3.81Å
115F81.3Confident72Confident43 Ų4376.4 Ų76.419%0.18943%0.431CS..Hα-helixtrans-59.7-49.5175.9178.1-94000112.4C111 E112 E113 R117 C118 T119 R142 A145 C146 L159C111-F115 VanDerWaalsContact O-CB 3.32Å; C111-F115 WeakPolarHBondContact O-CB 3.18Å; C111-F115 PolarHBondContact O-N 3.02Å; E112-F115 PolarHBondContact O-N 3.31Å; E113-F115 VanDerWaalsContact C-N 3.33Å; F115-R117 VanDerWaalsContact C-N 3.31Å; F115-R117 PolarHBondContact O-N 3.29Å; F115-C118 PolarHBondContact O-N 3.18Å; F115-T119 WeakPolarHBondContact O-CB 3.46Å; F115-T119 PolarHBondContact O-N 3.34Å; F115-T119 PolarHBondContact O-OG1 2.95Å; F115-R142 HydrophobicContact CD2-CG 3.63Å; F115-R142 WeakPolarHBondContact CD2-O 3.39Å; F115-R142 HydrophobicContact CE2-CG 3.65Å; F115-A145 HydrophobicContact CB-CB 4.26Å; F115-C146 HydrophobicContact CD2-CB 3.6Å; F115-C146 HydrophobicContact CE2-CB 3.71Å; F115-L159 HydrophobicContact CE2-CD1 3.71Å; F115-L159 HydrophobicContact CZ-CD1 4.42Å
116A79.5Confident70.8Confident57 Ų5782 Ų8247%0.47145%0.447SS..Hα-helixtrans-61.9-40.9178.200000111.3E112 E113 T119 A120E112-A116 WeakPolarHBondContact O-CB 3.47Å; E112-A116 PolarHBondContact O-N 3.32Å; E113-A116 PolarHBondContact O-N 3.42Å; A116-T119 PolarHBondContact O-N 2.88Å; A116-A120 PolarHBondContact O-N 3.4Å
117R79.2Confident70Confident139 Ų13982.7 Ų82.753%0.52545%0.452SS..Hα-helixtrans-69.4-42.3-179.8-168.9169.4171.3179.12.8112.8M100 E113 I114 F115 T119 A120 L121M100-R117 HydrophobicContact CE-CB 3.94Å; M100-R117 HydrophobicContact CE-CG 3.42Å; M100-R117 VanDerWaalsContact CE-CG 3.42Å; E113-R117 WeakPolarHBondContact O-CB 3.29Å; E113-R117 PolarHBondContact O-N 3.3Å; I114-R117 PolarHBondContact O-N 2.91Å; F115-R117 VanDerWaalsContact C-N 3.31Å; F115-R117 PolarHBondContact O-N 3.29Å; R117-T119 VanDerWaalsContact C-N 3.29Å; R117-T119 PolarHBondContact O-N 3.29Å; R117-A120 PolarHBondContact O-N 2.81Å; R117-L121 HydrophobicContact CG-CD1 4.4Å; R117-L121 VanDerWaalsContact O-CG 3.3Å; R117-L121 WeakPolarHBondContact O-CG 3.35Å; R117-L121 PolarHBondContact O-N 3.44Å
118C77.7Confident69.5Low0 Ų087.4 Ų87.40%046%0.463CS..Hα-helixtrans-63.6-37.2171.7-65.40000111.4M100 I114 F115 L121 L122 L138 R142M100-C118 VanDerWaalsContact SD-SG 3.67Å; I114-C118 WeakPolarHBondContact O-CB 3.46Å; I114-C118 PolarHBondContact O-N 3.09Å; I114-C118 PolarHBondContact O-SG 2.81Å; F115-C118 PolarHBondContact O-N 3.18Å; C118-L121 PolarHBondContact O-N 3.43Å; C118-L122 WeakPolarHBondContact O-CG 3.29Å; C118-L122 PolarHBondContact O-N 2.92Å; C118-L138 HydrophobicContact CB-CD2 3.98Å; C118-L138 HydrophobicContact CB-CG 4.35Å; C118-L138 VanDerWaalsContact O-CD2 3.26Å; C118-L138 WeakPolarHBondContact O-CD2 3.47Å; C118-R142 HydrophobicContact CB-CB 3.66Å; C118-R142 HydrophobicContact CB-CG 4.04Å
119T80Confident69.2Low23 Ų2392.4 Ų92.414%0.14148%0.477CS..Hα-helixtrans-64.6-45.5177.3-53.40000111.4F115 A116 R117 L121 L122 E123 R142F115-T119 WeakPolarHBondContact O-CB 3.46Å; F115-T119 PolarHBondContact O-N 3.34Å; F115-T119 PolarHBondContact O-OG1 2.95Å; A116-T119 PolarHBondContact O-N 2.88Å; R117-T119 VanDerWaalsContact C-N 3.29Å; R117-T119 PolarHBondContact O-N 3.29Å; T119-L121 VanDerWaalsContact C-N 3.3Å; T119-L121 PolarHBondContact O-N 2.93Å; T119-L122 PolarHBondContact O-N 3.42Å; T119-E123 HydrophobicContact CG2-CG 4.44Å; T119-E123 WeakPolarHBondContact CG2-OE1 3.42Å; T119-E123 WeakPolarHBondContact O-CB 3.48Å; T119-E123 WeakPolarHBondContact O-CG 3.39Å; T119-E123 PolarHBondContact O-N 2.95Å; T119-R142 WeakPolarHBondContact OG1-CD 3.38Å
120A78.9Confident69.1Low63 Ų6385.7 Ų85.752%0.52144%0.443SS..Hα-helixtrans-62.1-34.8175.700000113.3A116 R117 G124A116-A120 PolarHBondContact O-N 3.4Å; R117-A120 PolarHBondContact O-N 2.81Å; A120-G124 PolarHBondContact O-N 3.45Å
121L76.3Confident68.6Low64 Ų6492.3 Ų92.334%0.33547%0.465SS..Hα-helixtrans-73-30.6177.1-72.4170.5000112.9L93 T96 M100 R117 C118 T119 L138L93-L121 HydrophobicContact CD2-CD2 4.33Å; T96-L121 HydrophobicContact CG2-CD1 4.47Å; M100-L121 HydrophobicContact CE-CD1 4.19Å; R117-L121 HydrophobicContact CG-CD1 4.4Å; R117-L121 VanDerWaalsContact O-CG 3.3Å; R117-L121 WeakPolarHBondContact O-CG 3.35Å; R117-L121 PolarHBondContact O-N 3.44Å; C118-L121 PolarHBondContact O-N 3.43Å; T119-L121 VanDerWaalsContact C-N 3.3Å; T119-L121 PolarHBondContact O-N 2.93Å; L121-L138 HydrophobicContact CB-CD1 4.03Å; L121-L138 HydrophobicContact CB-CD2 4.01Å; L121-L138 HydrophobicContact CD1-CD1 3.91Å
122L73.9Confident68.2Low34 Ų3493.9 Ų93.918%0.17848%0.482CS..Hα-helixtrans-77.2-34.2173.3-67.9166.6000112.5C118 T119 Q135 L138 E139C118-L122 WeakPolarHBondContact O-CG 3.29Å; C118-L122 PolarHBondContact O-N 2.92Å; T119-L122 PolarHBondContact O-N 3.42Å; L122-Q135 HydrophobicContact CD2-CG 4.1Å; L122-L138 HydrophobicContact CD1-CD2 3.88Å; L122-L138 HydrophobicContact CD2-CD2 3.57Å; L122-L138 HydrophobicContact CG-CD2 3.33Å; L122-E139 HydrophobicContact CD1-CG 3.84Å; L122-E139 HydrophobicContact CD2-CG 4.02Å
123E71.3Confident67.8Low140 Ų14089 Ų8965%0.65446%0.462SS*.Hα-helixtrans-91.6-8.5-175.6-67.1176.2-179.100113.7T119 K125T119-E123 HydrophobicContact CG2-CG 4.44Å; T119-E123 WeakPolarHBondContact CG2-OE1 3.42Å; T119-E123 WeakPolarHBondContact O-CB 3.48Å; T119-E123 WeakPolarHBondContact O-CG 3.39Å; T119-E123 PolarHBondContact O-N 2.95Å; E123-K125 PolarHBondContact O-N 3.31Å
124G64Low67.6Low40 Ų4083 Ų8341%0.41244%0.436SS..  trans-68.2123-17500000114.4A120 R126A120-G124 PolarHBondContact O-N 3.45Å; G124-R126 PolarHBondContact O-N 3.45Å
125K52.3Low67.4Low209 Ų20984.4 Ų84.491%0.90944%0.443SS*.  trans-83.520.5-179.1-71.6-177.5174.6178.40116E123E123-K125 PolarHBondContact O-N 3.31Å
126R47.1Very low67.3Low232 Ų23282.3 Ų82.388%0.87543%0.434SS*.SBendtrans-118.7109.2-177-83.9-176.7174.7173.5-1.3111.9G124G124-R126 PolarHBondContact O-N 3.45Å
127S48.3Very low67.3Low108 Ų10879.9 Ų79.976%0.75541%0.412SS*.SBendtrans34.9108.6161.5610000116.8
128L49.6Very low67.3Low156 Ų15673.3 Ų73.382%0.81739%0.388SS*.  trans90.580.3-173-58.9144.1000111.4
129H53.6Low67.5Low139 Ų13974.5 Ų74.564%0.64439%0.393SS*.  trans-54.8129.3152.8-82.2-64.2000106.6E131H129-E131 PolarHBondContact O-N 3.28Å
130P58.3Low67.7Low17 Ų1773.4 Ų73.411%0.1139%0.387CS..  trans-61114174.624.5-30.7000107L93 Q135L93-P130 HydrophobicContact CD1-CB 4.46Å; P130-Q135 HydrophobicContact CB-CB 3.99Å; P130-Q135 HydrophobicContact CG-CB 4Å; P130-Q135 HydrophobicContact CG-CG 4.19Å; P130-Q135 WeakPolarHBondContact O-CB 3.43Å; P130-Q135 PolarHBondContact O-OE1 2.92Å
131E58.5Low67.9Low172 Ų17270.4 Ų70.480%0.80436%0.362SS*.  trans-94.1132.7178.2-73.4179.6-179.600109H129H129-E131 PolarHBondContact O-N 3.28Å
132G67.8Low68.3Low38 Ų3869.2 Ų69.239%0.39235%0.353SS..THydrogen-bonded Turntrans73-127.9173.500000115.1T134 Q135G132-T134 VanDerWaalsContact C-N 3.34Å; G132-T134 PolarHBondContact O-N 3.08Å; G132-Q135 PolarHBondContact O-N 3.41Å
133S67.5Low68.8Low29 Ų2967.6 Ų67.620%0.20334%0.344CS..Hα-helixtrans-61.1-35-167.963.80000114.5Q135 V136 L137 E170S133-Q135 VanDerWaalsContact C-N 3.35Å; S133-Q135 PolarHBondContact O-N 3.24Å; S133-V136 PolarHBondContact O-N 3.49Å; S133-L137 WeakPolarHBondContact O-CB 3.31Å; S133-L137 PolarHBondContact O-N 2.89Å; S133-E170 WeakPolarHBondContact CA-OE1 3.49Å; S133-E170 WeakPolarHBondContact CB-OE1 3.49Å
134T72.7Confident69.4Low27 Ų2761.1 Ų61.117%0.16631%0.314CS..Hα-helixtrans-68.6-33.1-178.257.10000112.5G132 L138G132-T134 VanDerWaalsContact C-N 3.34Å; G132-T134 PolarHBondContact O-N 3.08Å; T134-L138 WeakPolarHBondContact O-CB 3.28Å; T134-L138 PolarHBondContact O-N 2.61Å
135Q78.2Confident70.3Confident42 Ų4259.2 Ų59.220%0.19630%0.295CS..Hα-helixtrans-67.1-48.3174.7-175.3179.4-14.200110.6L122 P130 G132 S133 L137 L138 E139L122-Q135 HydrophobicContact CD2-CG 4.1Å; P130-Q135 HydrophobicContact CB-CB 3.99Å; P130-Q135 HydrophobicContact CG-CB 4Å; P130-Q135 HydrophobicContact CG-CG 4.19Å; P130-Q135 WeakPolarHBondContact O-CB 3.43Å; P130-Q135 PolarHBondContact O-OE1 2.92Å; G132-Q135 PolarHBondContact O-N 3.41Å; S133-Q135 VanDerWaalsContact C-N 3.35Å; S133-Q135 PolarHBondContact O-N 3.24Å; Q135-L137 VanDerWaalsContact C-N 3.3Å; Q135-L137 PolarHBondContact O-N 2.98Å; Q135-L138 PolarHBondContact O-N 3.43Å; Q135-E139 PolarHBondContact NE2-OE1 3.16Å; Q135-E139 WeakPolarHBondContact O-CG 3.47Å; Q135-E139 PolarHBondContact O-N 3.35Å
136V78.5Confident71.7Confident0 Ų049.4 Ų49.40%025%0.252CS..Hα-helixtrans-60.3-43.7178.1-179.10000110.4S133 L138 E139 I140 Y166 N167 T171 L174S133-V136 PolarHBondContact O-N 3.49Å; V136-L138 VanDerWaalsContact C-N 3.31Å; V136-L138 PolarHBondContact O-N 3.48Å; V136-E139 PolarHBondContact O-N 2.88Å; V136-I140 HydrophobicContact CG1-CG2 4.49Å; V136-I140 WeakPolarHBondContact O-CG1 3.26Å; V136-I140 WeakPolarHBondContact O-CG2 3.07Å; V136-I140 PolarHBondContact O-N 3.3Å; V136-Y166 HydrophobicContact CG2-CD1 4.22Å; V136-Y166 HydrophobicContact CG2-CE1 4.42Å; V136-N167 HydrophobicContact CG2-CB 4.26Å; V136-T171 HydrophobicContact CG1-CG2 4.46Å; V136-T171 VanDerWaalsContact CG1-OG1 3.26Å; V136-T171 WeakPolarHBondContact CG1-OG1 3.24Å; V136-L174 HydrophobicContact CB-CD1 4.07Å; V136-L174 HydrophobicContact CG1-CD1 3.87Å
137L79.3Confident73.4Confident5 Ų538.6 Ų38.63%0.02621%0.212CC..Hα-helixtrans-59.9-41.2177.5-171.864.5000112.2I97 E101 S133 Q135 I140 T141 L174 R178I97-L137 HydrophobicContact CB-CD2 4.44Å; I97-L137 HydrophobicContact CD1-CD2 4.05Å; I97-L137 HydrophobicContact CD1-CG 4.37Å; I97-L137 HydrophobicContact CG2-CD2 3.64Å; I97-L137 HydrophobicContact CG2-CG 3.76Å; E101-L137 WeakPolarHBondContact OE1-CD1 3.49Å; S133-L137 WeakPolarHBondContact O-CB 3.31Å; S133-L137 PolarHBondContact O-N 2.89Å; Q135-L137 VanDerWaalsContact C-N 3.3Å; Q135-L137 PolarHBondContact O-N 2.98Å; L137-I140 HydrophobicContact CD1-CD1 4.08Å; L137-I140 HydrophobicContact CD1-CG1 4.43Å; L137-I140 WeakPolarHBondContact O-CG1 3.44Å; L137-T141 WeakPolarHBondContact O-CB 3.25Å; L137-T141 PolarHBondContact O-N 3.14Å; L137-T141 PolarHBondContact O-OG1 3.47Å; L137-L174 HydrophobicContact CB-CD1 4.28Å; L137-L174 HydrophobicContact CD1-CD2 4.38Å; L137-R178 HydrophobicContact CD1-CB 4.46Å; L137-R178 HydrophobicContact CD1-CG 4.03Å
138L80.4Confident74.9Confident2 Ų236 Ų361%0.0119%0.187CC..Hα-helixtrans-73.7-33.6179.1-159.3133.1000111.9L93 I97 C118 L121 L122 T134 Q135 V136 R142L93-L138 HydrophobicContact CD2-CD1 4.32Å; I97-L138 HydrophobicContact CD1-CB 4.2Å; I97-L138 HydrophobicContact CD1-CD1 3.91Å; I97-L138 HydrophobicContact CG1-CD1 3.88Å; C118-L138 HydrophobicContact CB-CD2 3.98Å; C118-L138 HydrophobicContact CB-CG 4.35Å; C118-L138 VanDerWaalsContact O-CD2 3.26Å; C118-L138 WeakPolarHBondContact O-CD2 3.47Å; L121-L138 HydrophobicContact CB-CD1 4.03Å; L121-L138 HydrophobicContact CB-CD2 4.01Å; L121-L138 HydrophobicContact CD1-CD1 3.91Å; L122-L138 HydrophobicContact CD1-CD2 3.88Å; L122-L138 HydrophobicContact CD2-CD2 3.57Å; L122-L138 HydrophobicContact CG-CD2 3.33Å; T134-L138 WeakPolarHBondContact O-CB 3.28Å; T134-L138 PolarHBondContact O-N 2.61Å; Q135-L138 PolarHBondContact O-N 3.43Å; V136-L138 VanDerWaalsContact C-N 3.31Å; V136-L138 PolarHBondContact O-N 3.48Å; L138-R142 WeakPolarHBondContact O-CB 3.37Å; L138-R142 PolarHBondContact O-N 3.46Å
139E81.9Confident76.3Confident24 Ų2430.2 Ų30.211%0.11216%0.16CC..Hα-helixtrans-66.4-43.6172.4-75.1-175.4-176.500113L122 Q135 V136 R142 A143 A163L122-E139 HydrophobicContact CD1-CG 3.84Å; L122-E139 HydrophobicContact CD2-CG 4.02Å; Q135-E139 PolarHBondContact NE2-OE1 3.16Å; Q135-E139 WeakPolarHBondContact O-CG 3.47Å; Q135-E139 PolarHBondContact O-N 3.35Å; V136-E139 PolarHBondContact O-N 2.88Å; E139-R142 WeakPolarHBondContact O-CB 3.27Å; E139-R142 PolarHBondContact O-N 2.88Å; E139-A143 WeakPolarHBondContact O-CB 3.4Å; E139-A143 PolarHBondContact O-N 3.35Å; E139-A163 HydrophobicContact CB-CB 4.03Å; E139-A163 WeakPolarHBondContact OE2-CA 3.46Å; E139-A163 WeakPolarHBondContact OE2-CB 3.48Å
140I83.6Confident77.4Confident0 Ų027.4 Ų27.40%015%0.147CC..Hα-helixtrans-71.3-31176.966174.1000112.2V136 L137 A143 L144 Y160 A163 T171 L174 V175 Q179V136-I140 HydrophobicContact CG1-CG2 4.49Å; V136-I140 WeakPolarHBondContact O-CG1 3.26Å; V136-I140 WeakPolarHBondContact O-CG2 3.07Å; V136-I140 PolarHBondContact O-N 3.3Å; L137-I140 HydrophobicContact CD1-CD1 4.08Å; L137-I140 HydrophobicContact CD1-CG1 4.43Å; L137-I140 WeakPolarHBondContact O-CG1 3.44Å; I140-A143 PolarHBondContact O-N 3.15Å; I140-L144 WeakPolarHBondContact O-CB 3.4Å; I140-L144 PolarHBondContact O-N 2.69Å; I140-Y160 HydrophobicContact CB-CD1 4.5Å; I140-Y160 HydrophobicContact CB-CE1 4.03Å; I140-Y160 HydrophobicContact CG2-CD1 4.36Å; I140-Y160 HydrophobicContact CG2-CE1 4.34Å; I140-A163 HydrophobicContact CG2-CB 4.3Å; I140-T171 HydrophobicContact CG2-CG2 3.73Å; I140-L174 HydrophobicContact CD1-CB 3.62Å; I140-V175 HydrophobicContact CB-CG2 4.32Å; I140-V175 HydrophobicContact CD1-CG2 4.09Å; I140-V175 HydrophobicContact CG2-CG2 3.98Å; I140-Q179 PolarHBondContact O-NE2 3.28Å
141T82.3Confident77.9Confident0 Ų030.1 Ų30.10%016%0.164CC..Hα-helixtrans-70.1-40.4174.6-56.30000110.5M100 E101 L104 I114 L137 A143 L144 A145M100-T141 HydrophobicContact CB-CG2 4.22Å; E101-T141 HydrophobicContact CG-CG2 4.38Å; L104-T141 HydrophobicContact CD1-CG2 3.91Å; I114-T141 HydrophobicContact CG2-CG2 4.41Å; L137-T141 WeakPolarHBondContact O-CB 3.25Å; L137-T141 PolarHBondContact O-N 3.14Å; L137-T141 PolarHBondContact O-OG1 3.47Å; T141-A143 VanDerWaalsContact C-N 3.32Å; T141-A143 PolarHBondContact O-N 3.19Å; T141-L144 PolarHBondContact O-N 3.32Å; T141-A145 WeakPolarHBondContact O-CB 3.46Å; T141-A145 PolarHBondContact O-N 3.39Å
142R85.5Confident78.3Confident39 Ų3930.8 Ų30.815%0.14717%0.167CC..Hα-helixtrans-59.4-43.6169.9-173.8177.361.7165.5-6.2111.4F115 C118 T119 L138 E139 C146 L159F115-R142 HydrophobicContact CD2-CG 3.63Å; F115-R142 WeakPolarHBondContact CD2-O 3.39Å; F115-R142 HydrophobicContact CE2-CG 3.65Å; C118-R142 HydrophobicContact CB-CB 3.66Å; C118-R142 HydrophobicContact CB-CG 4.04Å; T119-R142 WeakPolarHBondContact OG1-CD 3.38Å; L138-R142 WeakPolarHBondContact O-CB 3.37Å; L138-R142 PolarHBondContact O-N 3.46Å; E139-R142 WeakPolarHBondContact O-CB 3.27Å; E139-R142 PolarHBondContact O-N 2.88Å; R142-C146 WeakPolarHBondContact O-CB 3.37Å; R142-C146 PolarHBondContact O-N 3.01Å; R142-L159 HydrophobicContact CG-CD1 4.43Å
143A84.1Confident78.7Confident0 Ų030.5 Ų30.50%016%0.159CC..Hα-helixtrans-65-43.1179.400000112E139 I140 T141 C146 L147 L159 Y160E139-A143 WeakPolarHBondContact O-CB 3.4Å; E139-A143 PolarHBondContact O-N 3.35Å; I140-A143 PolarHBondContact O-N 3.15Å; T141-A143 VanDerWaalsContact C-N 3.32Å; T141-A143 PolarHBondContact O-N 3.19Å; A143-C146 PolarHBondContact O-N 3.35Å; A143-L147 WeakPolarHBondContact O-CB 3.47Å; A143-L147 PolarHBondContact O-N 2.91Å; A143-L159 HydrophobicContact CB-CB 3.75Å; A143-Y160 HydrophobicContact CB-CD1 3.9Å; A143-Y160 HydrophobicContact CB-CD2 3.48Å; A143-Y160 VanDerWaalsContact CB-CD2 3.48Å; A143-Y160 HydrophobicContact CB-CE1 4Å; A143-Y160 HydrophobicContact CB-CE2 3.57Å; A143-Y160 HydrophobicContact CB-CG 3.64Å
144L83.5Confident79Confident4 Ų431.2 Ų31.22%0.02117%0.165CC..Hα-helixtrans-62.5-46.3176-173.258.3000112.1L104 I140 T141 C146 L147 F148 Y160 Q179 H182 I186L104-L144 HydrophobicContact CB-CD2 4.43Å; L104-L144 HydrophobicContact CD1-CB 4.41Å; L104-L144 HydrophobicContact CD1-CD2 3.96Å; L104-L144 HydrophobicContact CD1-CG 4.24Å; I140-L144 WeakPolarHBondContact O-CB 3.4Å; I140-L144 PolarHBondContact O-N 2.69Å; T141-L144 PolarHBondContact O-N 3.32Å; L144-C146 VanDerWaalsContact C-N 3.32Å; L144-C146 PolarHBondContact O-N 3.12Å; L144-L147 WeakPolarHBondContact O-CB 3.41Å; L144-L147 PolarHBondContact O-N 3.42Å; L144-L147 VanDerWaalsContact O-N 3.13Å; L144-F148 HydrophobicContact CD1-CD2 4.22Å; L144-F148 HydrophobicContact CD1-CE1 4.39Å; L144-F148 HydrophobicContact CD1-CE2 3.62Å; L144-F148 HydrophobicContact CD1-CZ 3.71Å; L144-F148 HydrophobicContact CD2-CE2 4.34Å; L144-F148 HydrophobicContact CG-CD2 4.21Å; L144-F148 HydrophobicContact CG-CE2 3.86Å; L144-F148 HydrophobicContact CG-CZ 4.45Å; L144-F148 PolarHBondContact O-N 3.15Å; L144-Y160 WeakPolarHBondContact CA-OH 3.35Å; L144-Y160 VanDerWaalsContact CB-OH 3.24Å; L144-Y160 WeakPolarHBondContact CB-OH 3.47Å; L144-Y160 WeakPolarHBondContact CD1-OH 3.48Å; L144-Q179 HydrophobicContact CD2-CG 4.23Å; L144-H182 HydrophobicContact CD1-CB 3.96Å; L144-I186 HydrophobicContact CD1-CD1 4.16Å; L144-I186 HydrophobicContact CD1-CG1 4.26Å
145A82.4Confident79.2Confident0 Ų034.5 Ų34.50%018%0.176CC..Hα-helixtrans-61.6-41.2177.400000111.5L104 C111 I114 F115 T141 L147 F148 S149L104-A145 HydrophobicContact CD1-CB 4.48Å; L104-A145 HydrophobicContact CD2-CB 4.15Å; C111-A145 WeakPolarHBondContact CB-O 3.46Å; I114-A145 HydrophobicContact CB-CB 4.12Å; I114-A145 HydrophobicContact CG2-CB 3.81Å; F115-A145 HydrophobicContact CB-CB 4.26Å; T141-A145 WeakPolarHBondContact O-CB 3.46Å; T141-A145 PolarHBondContact O-N 3.39Å; A145-L147 VanDerWaalsContact C-N 3.32Å; A145-L147 PolarHBondContact O-N 3.23Å; A145-F148 PolarHBondContact O-N 2.62Å; A145-S149 WeakPolarHBondContact O-CB 3.35Å; A145-S149 PolarHBondContact O-N 2.61Å; A145-S149 PolarHBondContact O-OG 3.01Å
146C82.6Confident79.2Confident3 Ų332.5 Ų32.52%0.0217%0.167CC..Hα-helixtrans-64.1-35.8173.9-169.10000112.7F115 R142 A143 L144 S149 Q150 G156 L159F115-C146 HydrophobicContact CD2-CB 3.6Å; F115-C146 HydrophobicContact CE2-CB 3.71Å; R142-C146 WeakPolarHBondContact O-CB 3.37Å; R142-C146 PolarHBondContact O-N 3.01Å; A143-C146 PolarHBondContact O-N 3.35Å; L144-C146 VanDerWaalsContact C-N 3.32Å; L144-C146 PolarHBondContact O-N 3.12Å; C146-S149 WeakPolarHBondContact CA-OG 3.38Å; C146-S149 PolarHBondContact O-OG 3.14Å; C146-Q150 PolarHBondContact O-N 2.88Å; C146-G156 PolarHBondContact SG-N 3.45Å; C146-L159 HydrophobicContact CB-CD1 4.22Å
147L82.8Confident79.3Confident6 Ų632.8 Ų32.83%0.03117%0.168CC..Hα-helixtrans-68.3-40179.4-174.266.1000111.5A143 L144 A145 Q150 P151 L157 I186 A189A143-L147 WeakPolarHBondContact O-CB 3.47Å; A143-L147 PolarHBondContact O-N 2.91Å; L144-L147 WeakPolarHBondContact O-CB 3.41Å; L144-L147 PolarHBondContact O-N 3.42Å; L144-L147 VanDerWaalsContact O-N 3.13Å; A145-L147 VanDerWaalsContact C-N 3.32Å; A145-L147 PolarHBondContact O-N 3.23Å; L147-Q150 CarbonylContact O-C 3.43Å; L147-P151 VanDerWaalsContact O-CA 3.25Å; L147-P151 WeakPolarHBondContact O-CA 3.42Å; L147-L157 HydrophobicContact CD1-CD2 3.62Å; L147-L157 HydrophobicContact CD1-CG 4.38Å; L147-I186 HydrophobicContact CD2-CB 4.37Å; L147-I186 HydrophobicContact CD2-CG1 3.87Å; L147-A189 HydrophobicContact CD1-CB 3.77Å; L147-A189 HydrophobicContact CD2-CB 4.32Å
148F79.2Confident79.3Confident52 Ų5240 Ų4023%0.22820%0.195CC..Hα-helixtrans-78.2-30.7177.5-69.3-28.6000113.7L104 C111 L144 A145 H182 K185L104-F148 HydrophobicContact CD2-CD2 4.25Å; C111-F148 HydrophobicContact CB-CB 4.41Å; C111-F148 VanDerWaalsContact SG-CB 3.54Å; L144-F148 HydrophobicContact CD1-CD2 4.22Å; L144-F148 HydrophobicContact CD1-CE1 4.39Å; L144-F148 HydrophobicContact CD1-CE2 3.62Å; L144-F148 HydrophobicContact CD1-CZ 3.71Å; L144-F148 HydrophobicContact CD2-CE2 4.34Å; L144-F148 HydrophobicContact CG-CD2 4.21Å; L144-F148 HydrophobicContact CG-CE2 3.86Å; L144-F148 HydrophobicContact CG-CZ 4.45Å; L144-F148 PolarHBondContact O-N 3.15Å; A145-F148 PolarHBondContact O-N 2.62Å; F148-H182 AromaticContact CE2-CE1 3.99Å; F148-H182 AromaticContact CE2-ND1 3.86Å; F148-H182 HydrophobicContact CZ-CB 4.09Å; F148-H182 AromaticContact CZ-CG 3.79Å; F148-H182 AromaticContact CZ-ND1 3.51Å; F148-K185 HydrophobicContact CE1-CB 4.42Å; F148-K185 HydrophobicContact CE1-CD 3.85Å; F148-K185 HydrophobicContact CZ-CD 4.26Å
149S79.2Confident79.4Confident35 Ų3541.3 Ų41.325%0.24520%0.202CC..Hα-helixtrans-73.2-37.3173.564.50000112.6A145 C146A145-S149 WeakPolarHBondContact O-CB 3.35Å; A145-S149 PolarHBondContact O-N 2.61Å; A145-S149 PolarHBondContact O-OG 3.01Å; C146-S149 WeakPolarHBondContact CA-OG 3.38Å; C146-S149 PolarHBondContact O-OG 3.14Å
150Q78.3Confident79.5Confident81 Ų8140.2 Ų40.238%0.37920%0.197SC..  trans-132.274.8-177.3-60.8-175.1-3.900111.5C146 L147 H152 S153C146-Q150 PolarHBondContact O-N 2.88Å; L147-Q150 CarbonylContact O-C 3.43Å; Q150-H152 PolarHBondContact O-N 3.47Å; Q150-S153 WeakPolarHBondContact O-CB 3.45Å; Q150-S153 PolarHBondContact O-N 3.13Å; Q150-S153 PolarHBondContact OE1-OG 2.74Å
151P68.2Low79.4Confident73 Ų7341.2 Ų41.247%0.47420%0.202SC..THydrogen-bonded Turntrans-62.6-28.8-174.923.3-33.5000113.7L147L147-P151 VanDerWaalsContact O-CA 3.25Å; L147-P151 WeakPolarHBondContact O-CA 3.42Å
152H66.4Low79.3Confident186 Ų18643.6 Ų43.686%0.86122%0.222SC*.THydrogen-bonded Turntrans-87.8-2.5178.3-57.8-56.3000113.9Q150Q150-H152 PolarHBondContact O-N 3.47Å
153S76.6Confident79.1Confident32 Ų3241.8 Ų41.822%0.22422%0.215CC..  trans-94.9134.6-178-177.80000111.4Q150 K155 Q193Q150-S153 WeakPolarHBondContact O-CB 3.45Å; Q150-S153 PolarHBondContact O-N 3.13Å; Q150-S153 PolarHBondContact OE1-OG 2.74Å; S153-K155 PolarHBondContact O-N 2.89Å; S153-K155 VanDerWaalsContact O-N 3.16Å; S153-K155 WeakPolarHBondContact OG-CB 3.48Å; S153-K155 PolarHBondContact OG-N 3.36Å; S153-Q193 PolarHBondContact O-NE2 3.25Å
154S72.5Confident79.1Confident45 Ų4542.6 Ų42.632%0.31522%0.219SC..Hα-helixtrans-72.4-0.6172.9650000113.7R158 Q193S154-R158 WeakPolarHBondContact O-CB 3.47Å; S154-R158 VanDerWaalsContact O-CG 3.32Å; S154-R158 WeakPolarHBondContact O-CG 3.38Å; S154-R158 PolarHBondContact O-N 3.26Å; S154-R158 PolarHBondContact O-NE 2.63Å; S154-R158 PolarHBondContact OG-NE 3.13Å; S154-R158 PolarHBondContact OG-NH2 3.5Å; S154-Q193 VanDerWaalsContact CA-OE1 3.32Å
155K78.2Confident79Confident95 Ų9550.6 Ų50.641%0.41325%0.249SC..Hα-helixtrans-66.4-46.1-176.7-168.4177.3-179.4-177.30111.9S153 R158 L159S153-K155 PolarHBondContact O-N 2.89Å; S153-K155 VanDerWaalsContact O-N 3.16Å; S153-K155 WeakPolarHBondContact OG-CB 3.48Å; S153-K155 PolarHBondContact OG-N 3.36Å; K155-R158 PolarHBondContact O-N 3.32Å; K155-L159 WeakPolarHBondContact O-CG 3.07Å; K155-L159 PolarHBondContact O-N 3.14Å; K155-L159 VanDerWaalsContact O-N 3.12Å
156G78.6Confident78.9Confident0 Ų057.4 Ų57.40%028%0.275CS..Hα-helixtrans-63-43.617800000112.3C146 R158 L159 Y160C146-G156 PolarHBondContact SG-N 3.45Å; G156-R158 PolarHBondContact O-N 3.07Å; G156-L159 WeakPolarHBondContact O-CB 3.45Å; G156-L159 PolarHBondContact O-N 3.45Å; G156-Y160 WeakPolarHBondContact O-CD2 3.41Å; G156-Y160 PolarHBondContact O-N 3.1Å; G156-Y160 VanDerWaalsContact O-N 3.15Å
157L80.3Confident78.8Confident6 Ų659.9 Ų59.93%0.03129%0.288CS..Hα-helixtrans-64.2-41176.5-55.5-165.6000112.4L147 L159 Y160 L161 A189 F190 Q193L147-L157 HydrophobicContact CD1-CD2 3.62Å; L147-L157 HydrophobicContact CD1-CG 4.38Å; L157-L159 VanDerWaalsContact C-N 3.26Å; L157-L159 PolarHBondContact O-N 2.85Å; L157-Y160 WeakPolarHBondContact O-CB 3.47Å; L157-Y160 PolarHBondContact O-N 3.46Å; L157-L161 WeakPolarHBondContact O-CG 3.33Å; L157-L161 PolarHBondContact O-N 2.94Å; L157-A189 HydrophobicContact CD2-CB 4.15Å; L157-F190 HydrophobicContact CB-CD1 4.32Å; L157-F190 HydrophobicContact CB-CE1 3.76Å; L157-F190 HydrophobicContact CB-CE2 4.4Å; L157-F190 HydrophobicContact CB-CZ 3.8Å; L157-F190 HydrophobicContact CD1-CD1 3.85Å; L157-F190 HydrophobicContact CD1-CD2 4.48Å; L157-F190 HydrophobicContact CD1-CE1 4.15Å; L157-F190 HydrophobicContact CD1-CG 4.02Å; L157-F190 HydrophobicContact CD2-CD1 4.36Å; L157-F190 HydrophobicContact CD2-CD2 3.71Å; L157-F190 HydrophobicContact CD2-CE1 4.27Å; L157-F190 HydrophobicContact CD2-CE2 3.58Å; L157-F190 HydrophobicContact CD2-CG 4.08Å; L157-F190 HydrophobicContact CD2-CZ 3.89Å; L157-F190 HydrophobicContact CG-CD1 4.43Å; L157-F190 HydrophobicContact CG-CE1 4.29Å; L157-F190 HydrophobicContact CG-CE2 4.44Å; L157-F190 HydrophobicContact CG-CZ 4.29Å; L157-Q193 HydrophobicContact CD1-CB 4.05Å; L157-Q193 HydrophobicContact CD1-CG 3.88Å; L157-Q193 VanDerWaalsContact CD1-OE1 3.24Å
158R79.9Confident78.7Confident157 Ų15764.3 Ų64.359%0.59231%0.307SS*.Hα-helixtrans-61.4-34.4175.2-82.4-176.4-84.2165.2-9.2112.7S154 K155 G156 L161 A162S154-R158 WeakPolarHBondContact O-CB 3.47Å; S154-R158 VanDerWaalsContact O-CG 3.32Å; S154-R158 WeakPolarHBondContact O-CG 3.38Å; S154-R158 PolarHBondContact O-N 3.26Å; S154-R158 PolarHBondContact O-NE 2.63Å; S154-R158 PolarHBondContact OG-NE 3.13Å; S154-R158 PolarHBondContact OG-NH2 3.5Å; K155-R158 PolarHBondContact O-N 3.32Å; G156-R158 PolarHBondContact O-N 3.07Å; R158-L161 PolarHBondContact O-N 3.23Å; R158-A162 WeakPolarHBondContact O-CB 3.34Å; R158-A162 PolarHBondContact O-N 3.45Å
159L82.4Confident78.7Confident30 Ų3068.9 Ų68.916%0.15733%0.333CS..Hα-helixtrans-69.5-41.2176.2-68.6170.7000111.8F115 R142 A143 C146 K155 G156 L157 L161 A162 A163F115-L159 HydrophobicContact CE2-CD1 3.71Å; F115-L159 HydrophobicContact CZ-CD1 4.42Å; R142-L159 HydrophobicContact CG-CD1 4.43Å; A143-L159 HydrophobicContact CB-CB 3.75Å; C146-L159 HydrophobicContact CB-CD1 4.22Å; K155-L159 WeakPolarHBondContact O-CG 3.07Å; K155-L159 PolarHBondContact O-N 3.14Å; K155-L159 VanDerWaalsContact O-N 3.12Å; G156-L159 WeakPolarHBondContact O-CB 3.45Å; G156-L159 PolarHBondContact O-N 3.45Å; L157-L159 VanDerWaalsContact C-N 3.26Å; L157-L159 PolarHBondContact O-N 2.85Å; L159-L161 VanDerWaalsContact C-N 3.31Å; L159-L161 PolarHBondContact O-N 3.11Å; L159-A162 PolarHBondContact O-N 3.27Å; L159-A163 PolarHBondContact O-N 2.69Å
160Y83.6Confident78.7Confident0 Ų069.6 Ų69.60%033%0.333CS..Hα-helixtrans-58-44.3170.8-85.8-67.2000112.1I140 A143 L144 G156 L157 A163 Y164 V175 Q179 I186 F190 F215I140-Y160 HydrophobicContact CB-CD1 4.5Å; I140-Y160 HydrophobicContact CB-CE1 4.03Å; I140-Y160 HydrophobicContact CG2-CD1 4.36Å; I140-Y160 HydrophobicContact CG2-CE1 4.34Å; A143-Y160 HydrophobicContact CB-CD1 3.9Å; A143-Y160 HydrophobicContact CB-CD2 3.48Å; A143-Y160 VanDerWaalsContact CB-CD2 3.48Å; A143-Y160 HydrophobicContact CB-CE1 4Å; A143-Y160 HydrophobicContact CB-CE2 3.57Å; A143-Y160 HydrophobicContact CB-CG 3.64Å; L144-Y160 WeakPolarHBondContact CA-OH 3.35Å; L144-Y160 VanDerWaalsContact CB-OH 3.24Å; L144-Y160 WeakPolarHBondContact CB-OH 3.47Å; L144-Y160 WeakPolarHBondContact CD1-OH 3.48Å; G156-Y160 WeakPolarHBondContact O-CD2 3.41Å; G156-Y160 PolarHBondContact O-N 3.1Å; G156-Y160 VanDerWaalsContact O-N 3.15Å; L157-Y160 WeakPolarHBondContact O-CB 3.47Å; L157-Y160 PolarHBondContact O-N 3.46Å; Y160-A163 PolarHBondContact O-N 3.01Å; Y160-Y164 WeakPolarHBondContact O-CB 3.48Å; Y160-Y164 PolarHBondContact O-N 3.47Å; Y160-V175 HydrophobicContact CD1-CG2 4.36Å; Y160-V175 HydrophobicContact CE1-CG2 4.04Å; Y160-Q179 VanDerWaalsContact CE1-OE1 3.31Å; Y160-Q179 PolarHBondContact OH-OE1 2.97Å; Y160-I186 HydrophobicContact CE2-CG1 4.47Å; Y160-I186 HydrophobicContact CE2-CG2 4.43Å; Y160-I186 WeakPolarHBondContact OH-CD1 3.31Å; Y160-F190 HydrophobicContact CD2-CE2 4.49Å; Y160-F215 AromaticContact CD1-CZ 3.91Å; Y160-F215 HydrophobicContact CD1-CZ 3.91Å; Y160-F215 HydrophobicContact CG-CZ 4.18Å
161L80.3Confident78.9Confident21 Ų2165.8 Ų65.811%0.1132%0.315CS..Hα-helixtrans-68.6-33.5177.9-64.5177.5000112.9L157 R158 L159 R165 F190 T212 F215L157-L161 WeakPolarHBondContact O-CG 3.33Å; L157-L161 PolarHBondContact O-N 2.94Å; R158-L161 PolarHBondContact O-N 3.23Å; L159-L161 VanDerWaalsContact C-N 3.31Å; L159-L161 PolarHBondContact O-N 3.11Å; L161-R165 VanDerWaalsContact O-CG 3.27Å; L161-R165 WeakPolarHBondContact O-CG 3.17Å; L161-R165 PolarHBondContact O-N 3.09Å; L161-F190 HydrophobicContact CD1-CE1 4.2Å; L161-F190 HydrophobicContact CD2-CE1 4.06Å; L161-F190 HydrophobicContact CD2-CZ 4.29Å; L161-F190 HydrophobicContact CG-CE1 4.03Å; L161-F190 HydrophobicContact CG-CZ 4.24Å; L161-T212 HydrophobicContact CD1-CG2 4.34Å; L161-T212 WeakPolarHBondContact CD1-OG1 3.47Å; L161-T212 HydrophobicContact CD2-CG2 4.38Å; L161-F215 HydrophobicContact CD2-CB 3.82Å; L161-F215 HydrophobicContact CD2-CD1 4.19Å; L161-F215 HydrophobicContact CD2-CG 4.05Å
162A81.1Confident79.5Confident51 Ų5162.5 Ų62.542%0.42129%0.294SS..Hα-helixtrans-66-45.6175.100000111.2R158 L159 Y164 R165 Y166R158-A162 WeakPolarHBondContact O-CB 3.34Å; R158-A162 PolarHBondContact O-N 3.45Å; L159-A162 PolarHBondContact O-N 3.27Å; A162-Y164 VanDerWaalsContact C-N 3.34Å; A162-Y164 PolarHBondContact O-N 2.97Å; A162-R165 PolarHBondContact O-N 3.38Å; A162-Y166 PolarHBondContact O-N 3.08Å; A162-Y166 VanDerWaalsContact O-N 3.1Å
163A82.1Confident80.2Confident0 Ų056.5 Ų56.50%027%0.273CS..Hα-helixtrans-61-43.6174.500000111.5E139 I140 L159 Y160 R165 Y166 N167 T171E139-A163 HydrophobicContact CB-CB 4.03Å; E139-A163 WeakPolarHBondContact OE2-CA 3.46Å; E139-A163 WeakPolarHBondContact OE2-CB 3.48Å; I140-A163 HydrophobicContact CG2-CB 4.3Å; L159-A163 PolarHBondContact O-N 2.69Å; Y160-A163 PolarHBondContact O-N 3.01Å; A163-R165 VanDerWaalsContact C-N 3.33Å; A163-R165 PolarHBondContact O-N 3.4Å; A163-Y166 WeakPolarHBondContact O-CB 3.18Å; A163-Y166 PolarHBondContact O-N 3.09Å; A163-Y166 VanDerWaalsContact O-N 3.08Å; A163-N167 PolarHBondContact O-N 3.46Å; A163-T171 HydrophobicContact CB-CG2 4.14Å; A163-T171 PolarHBondContact O-OG1 2.99Å; A163-T171 VanDerWaalsContact O-OG1 3.11Å
164Y82.8Confident80.3Confident18 Ų1855.7 Ų55.77%0.07127%0.266CS..Hα-helixtrans-63.4-37.2177.4-174.4-111.2000113.1Y160 A162 Y166 N167 K168 T171 A172 E214 F215 A218Y160-Y164 WeakPolarHBondContact O-CB 3.48Å; Y160-Y164 PolarHBondContact O-N 3.47Å; A162-Y164 VanDerWaalsContact C-N 3.34Å; A162-Y164 PolarHBondContact O-N 2.97Å; Y164-Y166 VanDerWaalsContact C-N 3.27Å; Y164-Y166 PolarHBondContact O-N 3.39Å; Y164-N167 CarbonylContact O-C 3Å; Y164-K168 HydrophobicContact CD1-CG 4.34Å; Y164-K168 HydrophobicContact CD2-CB 4.23Å; Y164-K168 HydrophobicContact CD2-CG 4.43Å; Y164-K168 HydrophobicContact CE1-CB 4.49Å; Y164-K168 HydrophobicContact CE1-CD 4.15Å; Y164-K168 HydrophobicContact CE1-CG 3.99Å; Y164-K168 HydrophobicContact CE2-CB 3.73Å; Y164-K168 HydrophobicContact CE2-CG 4.1Å; Y164-K168 VanDerWaalsContact CE2-O 3.29Å; Y164-K168 WeakPolarHBondContact CE2-O 3.43Å; Y164-K168 WeakPolarHBondContact O-CA 3.26Å; Y164-K168 VanDerWaalsContact O-CG 3.27Å; Y164-K168 WeakPolarHBondContact O-CG 3.49Å; Y164-K168 PolarHBondContact O-N 3.15Å; Y164-T171 HydrophobicContact CD2-CG2 4.49Å; Y164-A172 HydrophobicContact CE2-CB 4.33Å; Y164-E214 HydrophobicContact CE1-CB 4.08Å; Y164-E214 PolarHBondContact OH-O 3.43Å; Y164-F215 HydrophobicContact CD1-CB 3.84Å; Y164-F215 HydrophobicContact CD1-CD2 4.16Å; Y164-F215 HydrophobicContact CD1-CG 4.49Å; Y164-F215 AromaticContact CD2-CD2 3.57Å; Y164-F215 HydrophobicContact CD2-CD2 3.57Å; Y164-F215 HydrophobicContact CD2-CE2 4.32Å; Y164-F215 HydrophobicContact CE1-CB 4.03Å; Y164-F215 HydrophobicContact CE2-CD2 4.22Å; Y164-F215 HydrophobicContact CG-CB 4.12Å; Y164-F215 AromaticContact CG-CD2 3.53Å; Y164-F215 HydrophobicContact CG-CD2 3.53Å; Y164-F215 HydrophobicContact CG-CE2 4.43Å; Y164-F215 HydrophobicContact CG-CG 4.28Å; Y164-A218 HydrophobicContact CE2-CB 4.03Å
165R81.1Confident80.8Confident172 Ų17253.5 Ų53.565%0.64925%0.251SS*.Hα-helixtrans-67-30.2174-75174-175.6-172.62.3112.5L161 A162 A163L161-R165 VanDerWaalsContact O-CG 3.27Å; L161-R165 WeakPolarHBondContact O-CG 3.17Å; L161-R165 PolarHBondContact O-N 3.09Å; A162-R165 PolarHBondContact O-N 3.38Å; A163-R165 VanDerWaalsContact C-N 3.33Å; A163-R165 PolarHBondContact O-N 3.4Å
166Y79.9Confident80.8Confident143 Ų14355.2 Ų55.256%0.56126%0.255SS*.Hα-helixtrans-72-50.8176.7-177.6-98.5000111.6V136 A162 A163 Y164V136-Y166 HydrophobicContact CG2-CD1 4.22Å; V136-Y166 HydrophobicContact CG2-CE1 4.42Å; A162-Y166 PolarHBondContact O-N 3.08Å; A162-Y166 VanDerWaalsContact O-N 3.1Å; A163-Y166 WeakPolarHBondContact O-CB 3.18Å; A163-Y166 PolarHBondContact O-N 3.09Å; A163-Y166 VanDerWaalsContact O-N 3.08Å; Y164-Y166 VanDerWaalsContact C-N 3.27Å; Y164-Y166 PolarHBondContact O-N 3.39Å
167N80.9Confident80.8Confident55 Ų5558.9 Ų58.929%0.29428%0.28SS..  trans-144.5104.7172.2-168.4-18.1000112.3V136 A163 Y164 E170 T171V136-N167 HydrophobicContact CG2-CB 4.26Å; A163-N167 PolarHBondContact O-N 3.46Å; Y164-N167 CarbonylContact O-C 3Å; N167-E170 HydrophobicContact CB-CB 4.2Å; N167-E170 VanDerWaalsContact CG-CB 3.46Å; N167-E170 VanDerWaalsContact ND2-CB 3.34Å; N167-E170 WeakPolarHBondContact ND2-CB 3.2Å; N167-E170 PolarHBondContact ND2-OE2 3.36Å; N167-E170 PolarHBondContact OD1-N 3.03Å; N167-T171 WeakPolarHBondContact O-CB 3.44Å; N167-T171 PolarHBondContact O-N 3.43Å; N167-T171 VanDerWaalsContact O-N 3.09Å; N167-T171 PolarHBondContact O-OG1 3.22Å
168K81.8Confident80.6Confident98 Ų9860.3 Ų60.343%0.42629%0.285SS..Hα-helixtrans-63.4-55.6-173.6-65.8-170.7-179.4-165.60113.3Y164 A172 E214Y164-K168 HydrophobicContact CD1-CG 4.34Å; Y164-K168 HydrophobicContact CD2-CB 4.23Å; Y164-K168 HydrophobicContact CD2-CG 4.43Å; Y164-K168 HydrophobicContact CE1-CB 4.49Å; Y164-K168 HydrophobicContact CE1-CD 4.15Å; Y164-K168 HydrophobicContact CE1-CG 3.99Å; Y164-K168 HydrophobicContact CE2-CB 3.73Å; Y164-K168 HydrophobicContact CE2-CG 4.1Å; Y164-K168 VanDerWaalsContact CE2-O 3.29Å; Y164-K168 WeakPolarHBondContact CE2-O 3.43Å; Y164-K168 WeakPolarHBondContact O-CA 3.26Å; Y164-K168 VanDerWaalsContact O-CG 3.27Å; Y164-K168 WeakPolarHBondContact O-CG 3.49Å; Y164-K168 PolarHBondContact O-N 3.15Å; K168-A172 WeakPolarHBondContact O-CB 3.48Å; K168-A172 PolarHBondContact O-N 2.73Å; K168-A172 VanDerWaalsContact O-N 3.14Å; K168-E214 IonicContact NZ-OE2 3.24Å; K168-E214 PolarHBondContact NZ-OE2 2.65Å
169L79Confident80.6Confident149 Ų14953 Ų5378%0.7826%0.258SS*.Hα-helixtrans-66.4-43-172.9-70172.1000111.5S173L169-S173 VanDerWaalsContact O-CB 3.3Å; L169-S173 WeakPolarHBondContact O-CB 3.44Å; L169-S173 PolarHBondContact O-N 2.68Å
170E79.5Confident80.2Confident50 Ų5054.2 Ų54.223%0.23427%0.273CS..Hα-helixtrans-71.9-44.7-176.9-169.3164.4-138.300111.8S133 N167 A172 S173 L174S133-E170 WeakPolarHBondContact CA-OE1 3.49Å; S133-E170 WeakPolarHBondContact CB-OE1 3.49Å; N167-E170 HydrophobicContact CB-CB 4.2Å; N167-E170 VanDerWaalsContact CG-CB 3.46Å; N167-E170 VanDerWaalsContact ND2-CB 3.34Å; N167-E170 WeakPolarHBondContact ND2-CB 3.2Å; N167-E170 PolarHBondContact ND2-OE2 3.36Å; N167-E170 PolarHBondContact OD1-N 3.03Å; E170-A172 VanDerWaalsContact C-N 3.35Å; E170-A172 PolarHBondContact O-N 2.78Å; E170-S173 PolarHBondContact O-N 3.12Å; E170-L174 HydrophobicContact CG-CD1 3.92Å; E170-L174 HydrophobicContact CG-CG 4.39Å; E170-L174 WeakPolarHBondContact O-CB 3.06Å; E170-L174 VanDerWaalsContact O-CG 3.29Å; E170-L174 WeakPolarHBondContact O-CG 3.34Å; E170-L174 PolarHBondContact O-N 2.81Å
171T81.8Confident79.8Confident0 Ų058 Ų580%030%0.303CS..Hα-helixtrans-59.2-46.4175.6-56.10000110.9V136 I140 A163 Y164 N167 S173 L174 V175 F215V136-T171 HydrophobicContact CG1-CG2 4.46Å; V136-T171 VanDerWaalsContact CG1-OG1 3.26Å; V136-T171 WeakPolarHBondContact CG1-OG1 3.24Å; I140-T171 HydrophobicContact CG2-CG2 3.73Å; A163-T171 HydrophobicContact CB-CG2 4.14Å; A163-T171 PolarHBondContact O-OG1 2.99Å; A163-T171 VanDerWaalsContact O-OG1 3.11Å; Y164-T171 HydrophobicContact CD2-CG2 4.49Å; N167-T171 WeakPolarHBondContact O-CB 3.44Å; N167-T171 PolarHBondContact O-N 3.43Å; N167-T171 VanDerWaalsContact O-N 3.09Å; N167-T171 PolarHBondContact O-OG1 3.22Å; T171-S173 PolarHBondContact O-N 3.47Å; T171-L174 PolarHBondContact O-N 3.47Å; T171-V175 HydrophobicContact CG2-CG2 4.3Å; T171-V175 WeakPolarHBondContact O-CB 3.34Å; T171-V175 WeakPolarHBondContact O-CG2 3.4Å; T171-V175 PolarHBondContact O-N 3.3Å; T171-F215 HydrophobicContact CG2-CE2 4.25Å
172A81Confident79.8Confident4 Ų457.7 Ų57.73%0.03330%0.302CS..Hα-helixtrans-66.6-37.3179.200000112.8Y164 K168 E170 R176 A218 V219Y164-A172 HydrophobicContact CE2-CB 4.33Å; K168-A172 WeakPolarHBondContact O-CB 3.48Å; K168-A172 PolarHBondContact O-N 2.73Å; K168-A172 VanDerWaalsContact O-N 3.14Å; E170-A172 VanDerWaalsContact C-N 3.35Å; E170-A172 PolarHBondContact O-N 2.78Å; A172-R176 WeakPolarHBondContact O-CB 3.41Å; A172-R176 VanDerWaalsContact O-CG 3.3Å; A172-R176 WeakPolarHBondContact O-CG 3.49Å; A172-R176 PolarHBondContact O-N 3.11Å; A172-R176 VanDerWaalsContact O-N 3.12Å; A172-R176 PolarHBondContact O-NE 2.93Å; A172-A218 HydrophobicContact CB-CB 3.67Å; A172-V219 HydrophobicContact CB-CG2 4.48Å
173S80.9Confident79.8Confident60 Ų6056.8 Ų56.842%0.4229%0.289SS..Hα-helixtrans-64.6-47.1174.8-174.30000111.7L169 E170 T171 R176 S177L169-S173 VanDerWaalsContact O-CB 3.3Å; L169-S173 WeakPolarHBondContact O-CB 3.44Å; L169-S173 PolarHBondContact O-N 2.68Å; E170-S173 PolarHBondContact O-N 3.12Å; T171-S173 PolarHBondContact O-N 3.47Å; S173-R176 PolarHBondContact O-N 3.41Å; S173-S177 WeakPolarHBondContact O-CB 3.48Å; S173-S177 PolarHBondContact O-N 3.26Å; S173-S177 PolarHBondContact O-OG 2.9Å
174L78.8Confident79.6Confident15 Ų1561 Ų618%0.07932%0.317CS..Hα-helixtrans-68.1-40-179.6-69.6174.3000112V136 L137 I140 E170 T171 R176 S177 R178V136-L174 HydrophobicContact CB-CD1 4.07Å; V136-L174 HydrophobicContact CG1-CD1 3.87Å; L137-L174 HydrophobicContact CB-CD1 4.28Å; L137-L174 HydrophobicContact CD1-CD2 4.38Å; I140-L174 HydrophobicContact CD1-CB 3.62Å; E170-L174 HydrophobicContact CG-CD1 3.92Å; E170-L174 HydrophobicContact CG-CG 4.39Å; E170-L174 WeakPolarHBondContact O-CB 3.06Å; E170-L174 VanDerWaalsContact O-CG 3.29Å; E170-L174 WeakPolarHBondContact O-CG 3.34Å; E170-L174 PolarHBondContact O-N 2.81Å; T171-L174 PolarHBondContact O-N 3.47Å; L174-R176 PolarHBondContact O-N 2.94Å; L174-S177 PolarHBondContact O-N 2.74Å; L174-S177 PolarHBondContact O-OG 3.44Å; L174-R178 HydrophobicContact CD2-CG 4.32Å; L174-R178 WeakPolarHBondContact O-CA 3.27Å; L174-R178 VanDerWaalsContact O-CB 3.23Å; L174-R178 WeakPolarHBondContact O-CB 3.42Å; L174-R178 PolarHBondContact O-N 3.23Å
175V82Confident79.5Confident0 Ų066.4 Ų66.40%034%0.341CS..Hα-helixtrans-63.5-42.9175173.20000111I140 Y160 T171 Q179 L183 V219I140-V175 HydrophobicContact CB-CG2 4.32Å; I140-V175 HydrophobicContact CD1-CG2 4.09Å; I140-V175 HydrophobicContact CG2-CG2 3.98Å; Y160-V175 HydrophobicContact CD1-CG2 4.36Å; Y160-V175 HydrophobicContact CE1-CG2 4.04Å; T171-V175 HydrophobicContact CG2-CG2 4.3Å; T171-V175 WeakPolarHBondContact O-CB 3.34Å; T171-V175 WeakPolarHBondContact O-CG2 3.4Å; T171-V175 PolarHBondContact O-N 3.3Å; V175-Q179 HydrophobicContact CG1-CB 4.47Å; V175-Q179 CarbonylContact O-C 3.39Å; V175-Q179 WeakPolarHBondContact O-CA 3.44Å; V175-Q179 WeakPolarHBondContact O-CB 3.28Å; V175-Q179 PolarHBondContact O-N 2.87Å; V175-Q179 VanDerWaalsContact O-N 3.1Å; V175-L183 HydrophobicContact CG1-CD1 3.67Å; V175-V219 HydrophobicContact CB-CG2 4.38Å; V175-V219 HydrophobicContact CG1-CG1 3.69Å; V175-V219 HydrophobicContact CG1-CG2 4.11Å
176R79.8Confident79.4Confident130 Ų13058.3 Ų58.349%0.49131%0.31SS..Hα-helixtrans-67.5-38178.1-75.5-175.9-64.5158.2-2113.4A172 S173 L174 A180 A218 V219A172-R176 WeakPolarHBondContact O-CB 3.41Å; A172-R176 VanDerWaalsContact O-CG 3.3Å; A172-R176 WeakPolarHBondContact O-CG 3.49Å; A172-R176 PolarHBondContact O-N 3.11Å; A172-R176 VanDerWaalsContact O-N 3.12Å; A172-R176 PolarHBondContact O-NE 2.93Å; S173-R176 PolarHBondContact O-N 3.41Å; L174-R176 PolarHBondContact O-N 2.94Å; R176-A180 WeakPolarHBondContact O-CB 3.4Å; R176-A218 PolarHBondContact NE-O 3.18Å; R176-V219 WeakPolarHBondContact CG-O 3.45Å
177S77.9Confident79.4Confident77 Ų7751.9 Ų51.954%0.53829%0.286SS..Hα-helixtrans-86.5-46.1-176.155.40000113.3S173 L174S173-S177 WeakPolarHBondContact O-CB 3.48Å; S173-S177 PolarHBondContact O-N 3.26Å; S173-S177 PolarHBondContact O-OG 2.9Å; L174-S177 PolarHBondContact O-N 2.74Å; L174-S177 PolarHBondContact O-OG 3.44Å
178R75.6Confident79.3Confident36 Ų3655.3 Ų55.314%0.13630%0.298CS..Hα-helixtrans-90.9-30.6-174-58.6-75-122.2141.9-4.4113.1L64 D65 E101 L137 L174L64-R178 PolarHBondContact O-NH1 3.08Å; L64-R178 VanDerWaalsContact O-NH1 3.15Å; L64-R178 PolarHBondContact O-NH2 3.18Å; D65-R178 IonicContact OD1-NH2 3.78Å; D65-R178 PolarHBondContact OD1-NH2 3.44Å; E101-R178 IonicContact OE2-CZ 3.54Å; E101-R178 IonicContact OE2-NH1 3.71Å; E101-R178 PolarHBondContact OE2-NH1 3.42Å; L137-R178 HydrophobicContact CD1-CB 4.46Å; L137-R178 HydrophobicContact CD1-CG 4.03Å; L174-R178 HydrophobicContact CD2-CG 4.32Å; L174-R178 WeakPolarHBondContact O-CA 3.27Å; L174-R178 VanDerWaalsContact O-CB 3.23Å; L174-R178 WeakPolarHBondContact O-CB 3.42Å; L174-R178 PolarHBondContact O-N 3.23Å
179Q80.6Confident79.1Confident3 Ų351.4 Ų51.41%0.01428%0.284CS..SBendtrans-109.818.7-177.3-55.1-174.7-1400113.5I140 L144 Y160 V175 A181 H182 L183 I186I140-Q179 PolarHBondContact O-NE2 3.28Å; L144-Q179 HydrophobicContact CD2-CG 4.23Å; Y160-Q179 VanDerWaalsContact CE1-OE1 3.31Å; Y160-Q179 PolarHBondContact OH-OE1 2.97Å; V175-Q179 HydrophobicContact CG1-CB 4.47Å; V175-Q179 CarbonylContact O-C 3.39Å; V175-Q179 WeakPolarHBondContact O-CA 3.44Å; V175-Q179 WeakPolarHBondContact O-CB 3.28Å; V175-Q179 PolarHBondContact O-N 2.87Å; V175-Q179 VanDerWaalsContact O-N 3.1Å; Q179-A181 VanDerWaalsContact C-N 3.27Å; Q179-A181 PolarHBondContact O-N 3.37Å; Q179-A181 VanDerWaalsContact O-N 3.15Å; Q179-H182 PolarHBondContact O-N 3.03Å; Q179-L183 PolarHBondContact O-N 2.63Å; Q179-I186 HydrophobicContact CB-CD1 4.4Å
180A74.3Confident79Confident57 Ų5744.4 Ų44.447%0.47125%0.247SC..G310 helixtrans-49-43.4-178.700000113.7R176 H182 L183R176-A180 WeakPolarHBondContact O-CB 3.4Å; A180-H182 PolarHBondContact O-N 3.06Å; A180-L183 VanDerWaalsContact O-CB 3.3Å; A180-L183 WeakPolarHBondContact O-CB 3.43Å; A180-L183 PolarHBondContact O-N 3.41Å
181A75.5Confident78.6Confident78 Ų7843.3 Ų43.365%0.64524%0.242SC*.G310 helixtrans-68.2-22.1-179.500000113.8Q179Q179-A181 VanDerWaalsContact C-N 3.27Å; Q179-A181 PolarHBondContact O-N 3.37Å; Q179-A181 VanDerWaalsContact O-N 3.15Å
182H79.3Confident78.1Confident16 Ų1647.7 Ų47.77%0.07427%0.265CS..G310 helixtrans-102.9-7.5-178.9-58.2-52000112.8L144 F148 Q179 A180 P184 K185 I186L144-H182 HydrophobicContact CD1-CB 3.96Å; F148-H182 AromaticContact CE2-CE1 3.99Å; F148-H182 AromaticContact CE2-ND1 3.86Å; F148-H182 HydrophobicContact CZ-CB 4.09Å; F148-H182 AromaticContact CZ-CG 3.79Å; F148-H182 AromaticContact CZ-ND1 3.51Å; Q179-H182 PolarHBondContact O-N 3.03Å; A180-H182 PolarHBondContact O-N 3.06Å; H182-P184 VanDerWaalsContact C-CD 3.48Å; H182-K185 WeakPolarHBondContact O-CB 3.4Å; H182-K185 PolarHBondContact O-N 3.27Å; H182-I186 HydrophobicContact CB-CD1 4.29Å; H182-I186 WeakPolarHBondContact O-CG1 3.4Å; H182-I186 PolarHBondContact O-N 3.09Å
183L81.4Confident77.5Confident31 Ų3149.8 Ų49.816%0.16227%0.274CS..Hα-helixtrans-49.6-47.4-179.3-14968.8000113.6V175 Q179 A180 K185 I186 V187 V219V175-L183 HydrophobicContact CG1-CD1 3.67Å; Q179-L183 PolarHBondContact O-N 2.63Å; A180-L183 VanDerWaalsContact O-CB 3.3Å; A180-L183 WeakPolarHBondContact O-CB 3.43Å; A180-L183 PolarHBondContact O-N 3.41Å; L183-K185 VanDerWaalsContact C-N 3.27Å; L183-K185 PolarHBondContact O-N 3.22Å; L183-I186 PolarHBondContact O-N 3.5Å; L183-V187 WeakPolarHBondContact O-CB 3.42Å; L183-V187 WeakPolarHBondContact O-CG2 3.38Å; L183-V187 PolarHBondContact O-N 2.99Å; L183-V219 HydrophobicContact CD1-CG1 3.17Å; L183-V219 HydrophobicContact CD2-CG1 4.35Å; L183-V219 HydrophobicContact CG-CG1 3.96Å
184P78.5Confident76.7Confident90 Ų9048.4 Ų48.458%0.58426%0.262SS*.Hα-helixtrans-63.5-33-179.7-22.235000112.7H182 K188H182-P184 VanDerWaalsContact C-CD 3.48Å; P184-K188 WeakPolarHBondContact O-CB 3.43Å; P184-K188 PolarHBondContact O-N 3.49Å
185K79.5Confident75.7Confident131 Ų13150.9 Ų50.957%0.5728%0.275SS*.Hα-helixtrans-74.3-38.8177.5-64.1-176.3-179-179.70111.6F148 H182 L183 A189F148-K185 HydrophobicContact CE1-CB 4.42Å; F148-K185 HydrophobicContact CE1-CD 3.85Å; F148-K185 HydrophobicContact CZ-CD 4.26Å; H182-K185 WeakPolarHBondContact O-CB 3.4Å; H182-K185 PolarHBondContact O-N 3.27Å; L183-K185 VanDerWaalsContact C-N 3.27Å; L183-K185 PolarHBondContact O-N 3.22Å; K185-A189 WeakPolarHBondContact O-CB 3.27Å; K185-A189 PolarHBondContact O-N 3.02Å
186I80.1Confident74.3Confident1 Ų155.6 Ų55.61%0.00531%0.305CS..Hα-helixtrans-62.8-52.4174.7-62.9163.8000109.2L144 L147 Y160 Q179 H182 L183 K188 A189 F190L144-I186 HydrophobicContact CD1-CD1 4.16Å; L144-I186 HydrophobicContact CD1-CG1 4.26Å; L147-I186 HydrophobicContact CD2-CB 4.37Å; L147-I186 HydrophobicContact CD2-CG1 3.87Å; Y160-I186 HydrophobicContact CE2-CG1 4.47Å; Y160-I186 HydrophobicContact CE2-CG2 4.43Å; Y160-I186 WeakPolarHBondContact OH-CD1 3.31Å; Q179-I186 HydrophobicContact CB-CD1 4.4Å; H182-I186 HydrophobicContact CB-CD1 4.29Å; H182-I186 WeakPolarHBondContact O-CG1 3.4Å; H182-I186 PolarHBondContact O-N 3.09Å; L183-I186 PolarHBondContact O-N 3.5Å; I186-K188 PolarHBondContact O-N 3.44Å; I186-A189 PolarHBondContact O-N 3.4Å; I186-F190 HydrophobicContact CG2-CD2 3.82Å; I186-F190 HydrophobicContact CG2-CE2 3.81Å; I186-F190 VanDerWaalsContact O-CD2 3.31Å; I186-F190 WeakPolarHBondContact O-CD2 3.38Å; I186-F190 PolarHBondContact O-N 3.27Å
187V79.1Confident72.8Confident8 Ų855.6 Ų55.65%0.04831%0.314CS..Hα-helixtrans-58.3-47.3177.4170.80000110.8L183 A189 F190 K191 L216 I226L183-V187 WeakPolarHBondContact O-CB 3.42Å; L183-V187 WeakPolarHBondContact O-CG2 3.38Å; L183-V187 PolarHBondContact O-N 2.99Å; V187-A189 PolarHBondContact O-N 3.34Å; V187-F190 PolarHBondContact O-N 3.21Å; V187-K191 HydrophobicContact CG1-CD 4.03Å; V187-K191 HydrophobicContact CG1-CG 4.36Å; V187-K191 WeakPolarHBondContact O-CG 3.28Å; V187-K191 PolarHBondContact O-N 3.33Å; V187-L216 HydrophobicContact CG2-CD2 4.46Å; V187-I226 HydrophobicContact CG1-CD1 3.71Å
188K79.1Confident71.6Confident128 Ų12854.6 Ų54.656%0.55730%0.298SS*.Hα-helixtrans-59.3-43.7176.3-176.9175.5179.3176.80112.3P184 I186 F190 K191 D192P184-K188 WeakPolarHBondContact O-CB 3.43Å; P184-K188 PolarHBondContact O-N 3.49Å; I186-K188 PolarHBondContact O-N 3.44Å; K188-F190 PolarHBondContact O-N 3.21Å; K188-K191 WeakPolarHBondContact O-CB 3.28Å; K188-K191 PolarHBondContact O-N 2.93Å; K188-D192 WeakPolarHBondContact O-CB 3.36Å; K188-D192 VanDerWaalsContact O-CG 3.24Å; K188-D192 PolarHBondContact O-N 2.93Å
189A77.3Confident70.3Confident15 Ų1556.5 Ų56.512%0.12432%0.316CS..Hα-helixtrans-65.9-37178.400000112.8L147 L157 K185 I186 V187 Q193L147-A189 HydrophobicContact CD1-CB 3.77Å; L147-A189 HydrophobicContact CD2-CB 4.32Å; L157-A189 HydrophobicContact CD2-CB 4.15Å; K185-A189 WeakPolarHBondContact O-CB 3.27Å; K185-A189 PolarHBondContact O-N 3.02Å; I186-A189 PolarHBondContact O-N 3.4Å; V187-A189 PolarHBondContact O-N 3.34Å; A189-Q193 WeakPolarHBondContact O-CG 3.48Å; A189-Q193 PolarHBondContact O-N 2.87Å; A189-Q193 VanDerWaalsContact O-N 3.16Å
190F76.8Confident68.8Low3 Ų359 Ų591%0.01333%0.325CS..Hα-helixtrans-64.3-44.5170.1-87-77.4000111.6L157 Y160 L161 I186 V187 K188 Q193 I194 T212 F215 L216L157-F190 HydrophobicContact CB-CD1 4.32Å; L157-F190 HydrophobicContact CB-CE1 3.76Å; L157-F190 HydrophobicContact CB-CE2 4.4Å; L157-F190 HydrophobicContact CB-CZ 3.8Å; L157-F190 HydrophobicContact CD1-CD1 3.85Å; L157-F190 HydrophobicContact CD1-CD2 4.48Å; L157-F190 HydrophobicContact CD1-CE1 4.15Å; L157-F190 HydrophobicContact CD1-CG 4.02Å; L157-F190 HydrophobicContact CD2-CD1 4.36Å; L157-F190 HydrophobicContact CD2-CD2 3.71Å; L157-F190 HydrophobicContact CD2-CE1 4.27Å; L157-F190 HydrophobicContact CD2-CE2 3.58Å; L157-F190 HydrophobicContact CD2-CG 4.08Å; L157-F190 HydrophobicContact CD2-CZ 3.89Å; L157-F190 HydrophobicContact CG-CD1 4.43Å; L157-F190 HydrophobicContact CG-CE1 4.29Å; L157-F190 HydrophobicContact CG-CE2 4.44Å; L157-F190 HydrophobicContact CG-CZ 4.29Å; Y160-F190 HydrophobicContact CD2-CE2 4.49Å; L161-F190 HydrophobicContact CD1-CE1 4.2Å; L161-F190 HydrophobicContact CD2-CE1 4.06Å; L161-F190 HydrophobicContact CD2-CZ 4.29Å; L161-F190 HydrophobicContact CG-CE1 4.03Å; L161-F190 HydrophobicContact CG-CZ 4.24Å; I186-F190 HydrophobicContact CG2-CD2 3.82Å; I186-F190 HydrophobicContact CG2-CE2 3.81Å; I186-F190 VanDerWaalsContact O-CD2 3.31Å; I186-F190 WeakPolarHBondContact O-CD2 3.38Å; I186-F190 PolarHBondContact O-N 3.27Å; V187-F190 PolarHBondContact O-N 3.21Å; K188-F190 PolarHBondContact O-N 3.21Å; F190-Q193 PolarHBondContact O-N 3.37Å; F190-I194 HydrophobicContact CB-CD1 4.4Å; F190-I194 WeakPolarHBondContact O-CB 3.42Å; F190-I194 VanDerWaalsContact O-CD1 3.29Å; F190-I194 WeakPolarHBondContact O-CD1 3.32Å; F190-I194 WeakPolarHBondContact O-CG1 3.48Å; F190-I194 PolarHBondContact O-N 3.42Å; F190-T212 HydrophobicContact CD1-CG2 3.67Å; F190-T212 HydrophobicContact CE1-CG2 3.87Å; F190-F215 HydrophobicContact CD2-CE1 4.21Å; F190-F215 HydrophobicContact CE1-CD1 4.4Å; F190-F215 AromaticContact CE2-CD1 3.95Å; F190-F215 HydrophobicContact CE2-CD1 3.95Å; F190-F215 AromaticContact CE2-CE1 3.44Å; F190-F215 HydrophobicContact CE2-CE1 3.44Å; F190-F215 VanDerWaalsContact CE2-CE1 3.44Å; F190-F215 HydrophobicContact CE2-CZ 4.46Å; F190-F215 AromaticContact CZ-CD1 3.84Å; F190-F215 HydrophobicContact CZ-CD1 3.84Å; F190-F215 AromaticContact CZ-CE1 3.7Å; F190-F215 HydrophobicContact CZ-CE1 3.7Å; F190-L216 HydrophobicContact CB-CD1 4.09Å; F190-L216 HydrophobicContact CB-CD2 3.7Å; F190-L216 HydrophobicContact CB-CG 4.34Å; F190-L216 HydrophobicContact CD2-CD2 4.03Å; F190-L216 HydrophobicContact CG-CD2 3.88Å; F190-L216 HydrophobicContact CG-CG 4.46Å
191K70.8Confident67.6Low27 Ų2758.7 Ų58.712%0.11732%0.317CS..Hα-helixtrans-60.3-49.3175.5-73.1178.1173.9-164.20112V187 K188 Q193 I194 L195 D223 E225V187-K191 HydrophobicContact CG1-CD 4.03Å; V187-K191 HydrophobicContact CG1-CG 4.36Å; V187-K191 WeakPolarHBondContact O-CG 3.28Å; V187-K191 PolarHBondContact O-N 3.33Å; K188-K191 WeakPolarHBondContact O-CB 3.28Å; K188-K191 PolarHBondContact O-N 2.93Å; K191-Q193 PolarHBondContact O-N 3.28Å; K191-I194 PolarHBondContact O-N 3Å; K191-L195 HydrophobicContact CB-CD1 4.03Å; K191-L195 WeakPolarHBondContact O-CB 3.33Å; K191-L195 WeakPolarHBondContact O-CD1 3.38Å; K191-L195 PolarHBondContact O-N 3.28Å; K191-D223 VanDerWaalsContact CE-OD2 3.22Å; K191-D223 WeakPolarHBondContact CE-OD2 3.36Å; K191-D223 IonicContact NZ-OD1 3.14Å; K191-D223 PolarHBondContact NZ-OD1 3.42Å; K191-D223 IonicContact NZ-OD2 3.04Å; K191-D223 PolarHBondContact NZ-OD2 3.36Å; K191-E225 WeakPolarHBondContact CD-OE2 3.48Å; K191-E225 VanDerWaalsContact CE-OE2 3.29Å; K191-E225 WeakPolarHBondContact CE-OE2 3.5Å; K191-E225 IonicContact NZ-OE2 3.29Å; K191-E225 PolarHBondContact NZ-OE2 3.46Å
192D71.3Confident66.1Low92 Ų9257.4 Ų57.449%0.49231%0.307SS..Hα-helixtrans-62.9-23.9179.5-70.4-15.7000112.6K188 P196K188-D192 WeakPolarHBondContact O-CB 3.36Å; K188-D192 VanDerWaalsContact O-CG 3.24Å; K188-D192 PolarHBondContact O-N 2.93Å; D192-P196 WeakPolarHBondContact O-CD 3.16Å; D192-P196 WeakPolarHBondContact O-CG 3.25Å
193Q68.2Low64.7Low48 Ų4860.9 Ų60.922%0.22433%0.325CS..Hα-helixtrans-88.9-27.2171.8-72.3-169.525.700113.4S153 S154 L157 A189 F190 K191 I197S153-Q193 PolarHBondContact O-NE2 3.25Å; S154-Q193 VanDerWaalsContact CA-OE1 3.32Å; L157-Q193 HydrophobicContact CD1-CB 4.05Å; L157-Q193 HydrophobicContact CD1-CG 3.88Å; L157-Q193 VanDerWaalsContact CD1-OE1 3.24Å; A189-Q193 WeakPolarHBondContact O-CG 3.48Å; A189-Q193 PolarHBondContact O-N 2.87Å; A189-Q193 VanDerWaalsContact O-N 3.16Å; F190-Q193 PolarHBondContact O-N 3.37Å; K191-Q193 PolarHBondContact O-N 3.28Å; Q193-I197 WeakPolarHBondContact O-CD1 3.4Å; Q193-I197 WeakPolarHBondContact O-CG1 3.4Å
194I64.6Low62.8Low31 Ų3166.9 Ų66.916%0.15936%0.357CS..Hα-helixtrans-83.5-43.4-179.7-67.5163.8000111.4F190 K191 I197 R198 T212 L216 L229F190-I194 HydrophobicContact CB-CD1 4.4Å; F190-I194 WeakPolarHBondContact O-CB 3.42Å; F190-I194 VanDerWaalsContact O-CD1 3.29Å; F190-I194 WeakPolarHBondContact O-CD1 3.32Å; F190-I194 WeakPolarHBondContact O-CG1 3.48Å; F190-I194 PolarHBondContact O-N 3.42Å; K191-I194 PolarHBondContact O-N 3Å; I194-I197 PolarHBondContact O-N 2.89Å; I194-R198 PolarHBondContact O-N 3.21Å; I194-T212 HydrophobicContact CD1-CG2 3.72Å; I194-T212 HydrophobicContact CG1-CG2 4.43Å; I194-L216 HydrophobicContact CD1-CD1 3.73Å; I194-L229 HydrophobicContact CG2-CD1 4.16Å; I194-L229 HydrophobicContact CG2-CD2 4.29Å
195L58.4Low61.1Low67 Ų6768.6 Ų68.635%0.35136%0.362SS..THydrogen-bonded Turntrans-58.9-41.2-177.6-100.396.9000114.5K191 I197 R198 P199K191-L195 HydrophobicContact CB-CD1 4.03Å; K191-L195 WeakPolarHBondContact O-CB 3.33Å; K191-L195 WeakPolarHBondContact O-CD1 3.38Å; K191-L195 PolarHBondContact O-N 3.28Å; L195-I197 VanDerWaalsContact C-N 3.33Å; L195-R198 CarbonylContact O-C 3.55Å; L195-R198 PolarHBondContact O-N 3.48Å; L195-P199 VanDerWaalsContact O-N 3.15Å
196P52.1Low59.5Low98 Ų9873 Ų7364%0.63638%0.381SS*.THydrogen-bonded Turntrans-72.5-27.9177.5-10.723.6000112.6D192D192-P196 WeakPolarHBondContact O-CD 3.16Å; D192-P196 WeakPolarHBondContact O-CG 3.25Å
197I48.9Very low58Low131 Ų13183 Ų8367%0.67242%0.419SS*.THydrogen-bonded Turntrans-79.2-28.3177.9-61.5176.9000110.7Q193 I194 L195Q193-I197 WeakPolarHBondContact O-CD1 3.4Å; Q193-I197 WeakPolarHBondContact O-CG1 3.4Å; I194-I197 PolarHBondContact O-N 2.89Å; L195-I197 VanDerWaalsContact C-N 3.33Å
198R52.4Low56.5Low55 Ų5586.7 Ų86.721%0.20845%0.445CS..  trans-140.395.8174.1-72.2-173.7177.4176.41.1108.9I194 L195 Y200 R207 D233I194-R198 PolarHBondContact O-N 3.21Å; L195-R198 CarbonylContact O-C 3.55Å; L195-R198 PolarHBondContact O-N 3.48Å; R198-Y200 PolarHBondContact O-N 3.29Å; R198-R207 PolarHBondContact NH2-O 3.25Å; R198-D233 IonicContact NH1-OD1 3.72Å
199P47.3Very low55.3Low77 Ų7782 Ų8250%0.543%0.43SS..SBendtrans-72.360.9166.329.1-33.5000109.1L195 V201L195-P199 VanDerWaalsContact O-N 3.15Å; P199-V201 WeakPolarHBondContact O-CA 3.48Å; P199-V201 WeakPolarHBondContact O-CB 3.4Å; P199-V201 WeakPolarHBondContact O-CG2 3.23Å; P199-V201 PolarHBondContact O-N 3.17Å
200Y51Low54.6Low55 Ų5583.2 Ų83.222%0.21644%0.436CS..SBendtrans49.110.1-175.2-70.6-89.9000115.8R198 E228 L229R198-Y200 PolarHBondContact O-N 3.29Å; Y200-E228 HydrophobicContact CE1-CB 4.28Å; Y200-L229 HydrophobicContact CE1-CD2 4.27Å; Y200-L229 HydrophobicContact CE1-CG 4.48Å
201V49.1Very low54.2Low51 Ų5184.1 Ų84.131%0.30944%0.442SS..  trans-143-12-156.1164.40000115.7P199 L203 Y310 K313P199-V201 WeakPolarHBondContact O-CA 3.48Å; P199-V201 WeakPolarHBondContact O-CB 3.4Å; P199-V201 WeakPolarHBondContact O-CG2 3.23Å; P199-V201 PolarHBondContact O-N 3.17Å; V201-L203 PolarHBondContact O-N 3Å; V201-Y310 HydrophobicContact CG2-CE1 4.36Å; V201-K313 HydrophobicContact CG1-CD 3.98Å; V201-K313 HydrophobicContact CG2-CD 4.39Å; V201-K313 VanDerWaalsContact CG2-NZ 3.31Å
202A43.9Very low54.3Low51 Ų5184 Ų8442%0.42144%0.444SS..  trans-9486.7179.800000111.7D204A202-D204 PolarHBondContact O-N 3.41Å
203L49.1Very low54.4Low89 Ų8980.3 Ų80.347%0.46642%0.424SS..THydrogen-bonded Turntrans-80.511.4176.6-119.898.2000114.3V201 L236V201-L203 PolarHBondContact O-N 3Å; L203-L236 HydrophobicContact CD1-CD2 3.94Å; L203-L236 HydrophobicContact CD2-CD2 3.49Å; L203-L236 VanDerWaalsContact CD2-CD2 3.49Å; L203-L236 HydrophobicContact CG-CD2 3.57Å
204D42.3Very low54.7Low156 Ų15681.8 Ų81.883%0.83443%0.431SS*.THydrogen-bonded Turntrans-96.1-0.4-170.4-79.8-23.1000115.6A202A202-D204 PolarHBondContact O-N 3.41Å
205N42.6Very low55.5Low126 Ų12680.4 Ų80.467%0.67442%0.424SS*.  trans-121.9108.2178.8-84.1-37.4000112.1R207N205-R207 PolarHBondContact O-N 2.88Å
206K45.9Very low56.6Low225 Ų22577.3 Ų77.398%0.97841%0.408SS*.  trans-61.854.9166.9-67.1-179.6176.3178.50112.4
207R47.3Very low57.9Low211 Ų21174.1 Ų74.180%0.79639%0.385SS*.  trans-111.6111.5168.4-75.7-175.5174.2173.3-0.5107.7R198 N205 A209R198-R207 PolarHBondContact NH2-O 3.25Å; N205-R207 PolarHBondContact O-N 2.88Å; R207-A209 PolarHBondContact O-N 3.45Å
208S48.8Very low59.4Low85 Ų8569.2 Ų69.259%0.59436%0.364SS*.  trans-64.6117.8178.9520000110.2T210S208-T210 VanDerWaalsContact C-N 3.31Å
209A54Low60.7Low29 Ų2966.8 Ų66.824%0.2436%0.355CS..  trans-94.410.7173.900000112.1R207 P211 T212 V213R207-A209 PolarHBondContact O-N 3.45Å; A209-P211 VanDerWaalsContact C-CD 3.48Å; A209-T212 PolarHBondContact O-N 2.65Å; A209-V213 PolarHBondContact O-N 2.62Å
210T61.9Low62.3Low41 Ų4164.3 Ų64.325%0.25234%0.339SS..Hα-helixtrans-46.8-49.1-176.437.40000114.4S208 T212 V213 E214 D233 M237S208-T210 VanDerWaalsContact C-N 3.31Å; T210-T212 VanDerWaalsContact C-N 3.27Å; T210-T212 PolarHBondContact O-N 3.29Å; T210-V213 PolarHBondContact O-N 3.04Å; T210-E214 VanDerWaalsContact O-CB 3.28Å; T210-E214 WeakPolarHBondContact O-CB 3.41Å; T210-E214 VanDerWaalsContact O-CG 3.23Å; T210-E214 WeakPolarHBondContact O-CG 3.42Å; T210-E214 PolarHBondContact O-N 2.93Å; T210-D233 VanDerWaalsContact CG2-OD2 3.31Å; T210-D233 WeakPolarHBondContact CG2-OD2 3.43Å; T210-M237 HydrophobicContact CG2-CE 3.48Å; T210-M237 VanDerWaalsContact CG2-CE 3.48Å; T210-M237 HydrophobicContact CG2-SD 4.42Å
211P67.4Low63.5Low22 Ų2264.2 Ų64.214%0.14335%0.346CS..Hα-helixtrans-69.6-25-176.825.3-32.9000113.3A209 F215A209-P211 VanDerWaalsContact C-CD 3.48Å; P211-F215 VanDerWaalsContact O-CB 3.27Å; P211-F215 WeakPolarHBondContact O-CB 3.37Å; P211-F215 PolarHBondContact O-N 3.47Å; P211-F215 VanDerWaalsContact O-N 3.13Å
212T73Confident64.7Low25 Ų2567.9 Ų67.915%0.15336%0.364CS..Hα-helixtrans-77.9-44179.9-49.20000111.2L161 F190 I194 A209 T210 F215 L216L161-T212 HydrophobicContact CD1-CG2 4.34Å; L161-T212 WeakPolarHBondContact CD1-OG1 3.47Å; L161-T212 HydrophobicContact CD2-CG2 4.38Å; F190-T212 HydrophobicContact CD1-CG2 3.67Å; F190-T212 HydrophobicContact CE1-CG2 3.87Å; I194-T212 HydrophobicContact CD1-CG2 3.72Å; I194-T212 HydrophobicContact CG1-CG2 4.43Å; A209-T212 PolarHBondContact O-N 2.65Å; T210-T212 VanDerWaalsContact C-N 3.27Å; T210-T212 PolarHBondContact O-N 3.29Å; T212-F215 PolarHBondContact O-N 3.35Å; T212-L216 WeakPolarHBondContact O-CG 3.44Å; T212-L216 PolarHBondContact O-N 3.3Å
213V73.6Confident66.3Low13 Ų1367.2 Ų67.28%0.07935%0.353CS..Hα-helixtrans-69.7-41.1177.3-179.70000110.6A209 T210 F215 L216 M217 Q230A209-V213 PolarHBondContact O-N 2.62Å; T210-V213 PolarHBondContact O-N 3.04Å; V213-F215 VanDerWaalsContact C-N 3.33Å; V213-F215 PolarHBondContact O-N 3.38Å; V213-L216 PolarHBondContact O-N 3.36Å; V213-M217 WeakPolarHBondContact O-CB 3.41Å; V213-M217 WeakPolarHBondContact O-CG 3.46Å; V213-M217 PolarHBondContact O-N 3.47Å; V213-Q230 HydrophobicContact CG1-CB 3.82Å; V213-Q230 HydrophobicContact CG1-CG 4.24Å
214E75.9Confident67.6Low80 Ų8065.5 Ų65.537%0.37434%0.34SS..Hα-helixtrans-58-43.2172.3-77.8177.6-157.500112.2Y164 K168 T210 A218Y164-E214 HydrophobicContact CE1-CB 4.08Å; Y164-E214 PolarHBondContact OH-O 3.43Å; K168-E214 IonicContact NZ-OE2 3.24Å; K168-E214 PolarHBondContact NZ-OE2 2.65Å; T210-E214 VanDerWaalsContact O-CB 3.28Å; T210-E214 WeakPolarHBondContact O-CB 3.41Å; T210-E214 VanDerWaalsContact O-CG 3.23Å; T210-E214 WeakPolarHBondContact O-CG 3.42Å; T210-E214 PolarHBondContact O-N 2.93Å; E214-A218 WeakPolarHBondContact O-CB 3.38Å; E214-A218 PolarHBondContact O-N 2.83Å
215F81.4Confident69.1Low1 Ų161.3 Ų61.30%0.00432%0.316CS..Hα-helixtrans-63.1-47.7176.7174.1-103.7000111.5Y160 L161 Y164 T171 F190 P211 T212 V213 M217 A218 V219Y160-F215 AromaticContact CD1-CZ 3.91Å; Y160-F215 HydrophobicContact CD1-CZ 3.91Å; Y160-F215 HydrophobicContact CG-CZ 4.18Å; L161-F215 HydrophobicContact CD2-CB 3.82Å; L161-F215 HydrophobicContact CD2-CD1 4.19Å; L161-F215 HydrophobicContact CD2-CG 4.05Å; Y164-F215 HydrophobicContact CD1-CB 3.84Å; Y164-F215 HydrophobicContact CD1-CD2 4.16Å; Y164-F215 HydrophobicContact CD1-CG 4.49Å; Y164-F215 AromaticContact CD2-CD2 3.57Å; Y164-F215 HydrophobicContact CD2-CD2 3.57Å; Y164-F215 HydrophobicContact CD2-CE2 4.32Å; Y164-F215 HydrophobicContact CE1-CB 4.03Å; Y164-F215 HydrophobicContact CE2-CD2 4.22Å; Y164-F215 HydrophobicContact CG-CB 4.12Å; Y164-F215 AromaticContact CG-CD2 3.53Å; Y164-F215 HydrophobicContact CG-CD2 3.53Å; Y164-F215 HydrophobicContact CG-CE2 4.43Å; Y164-F215 HydrophobicContact CG-CG 4.28Å; T171-F215 HydrophobicContact CG2-CE2 4.25Å; F190-F215 HydrophobicContact CD2-CE1 4.21Å; F190-F215 HydrophobicContact CE1-CD1 4.4Å; F190-F215 AromaticContact CE2-CD1 3.95Å; F190-F215 HydrophobicContact CE2-CD1 3.95Å; F190-F215 AromaticContact CE2-CE1 3.44Å; F190-F215 HydrophobicContact CE2-CE1 3.44Å; F190-F215 VanDerWaalsContact CE2-CE1 3.44Å; F190-F215 HydrophobicContact CE2-CZ 4.46Å; F190-F215 AromaticContact CZ-CD1 3.84Å; F190-F215 HydrophobicContact CZ-CD1 3.84Å; F190-F215 AromaticContact CZ-CE1 3.7Å; F190-F215 HydrophobicContact CZ-CE1 3.7Å; P211-F215 VanDerWaalsContact O-CB 3.27Å; P211-F215 WeakPolarHBondContact O-CB 3.37Å; P211-F215 PolarHBondContact O-N 3.47Å; P211-F215 VanDerWaalsContact O-N 3.13Å; T212-F215 PolarHBondContact O-N 3.35Å; V213-F215 VanDerWaalsContact C-N 3.33Å; V213-F215 PolarHBondContact O-N 3.38Å; F215-M217 VanDerWaalsContact C-N 3.34Å; F215-M217 PolarHBondContact O-N 3.01Å; F215-A218 PolarHBondContact O-N 2.99Å; F215-V219 HydrophobicContact CD2-CG2 4.07Å; F215-V219 HydrophobicContact CE1-CG2 4.24Å; F215-V219 HydrophobicContact CE2-CG2 3.74Å; F215-V219 HydrophobicContact CZ-CG2 3.83Å; F215-V219 WeakPolarHBondContact O-CB 3.32Å; F215-V219 VanDerWaalsContact O-CG2 3.22Å; F215-V219 WeakPolarHBondContact O-CG2 3.46Å; F215-V219 PolarHBondContact O-N 3.14Å; F215-V219 VanDerWaalsContact O-N 3.08Å
216L79.9Confident70.8Confident2 Ų255.3 Ų55.31%0.0128%0.284CS..Hα-helixtrans-62.3-39.9179.3-73.8175.2000112.5V187 F190 I194 T212 V213 V219 S220 I226V187-L216 HydrophobicContact CG2-CD2 4.46Å; F190-L216 HydrophobicContact CB-CD1 4.09Å; F190-L216 HydrophobicContact CB-CD2 3.7Å; F190-L216 HydrophobicContact CB-CG 4.34Å; F190-L216 HydrophobicContact CD2-CD2 4.03Å; F190-L216 HydrophobicContact CG-CD2 3.88Å; F190-L216 HydrophobicContact CG-CG 4.46Å; I194-L216 HydrophobicContact CD1-CD1 3.73Å; T212-L216 WeakPolarHBondContact O-CG 3.44Å; T212-L216 PolarHBondContact O-N 3.3Å; V213-L216 PolarHBondContact O-N 3.36Å; L216-V219 PolarHBondContact O-N 3.14Å; L216-S220 CarbonylContact O-C 3.4Å; L216-S220 PolarHBondContact O-N 3.22Å; L216-I226 HydrophobicContact CB-CD1 4.11Å; L216-I226 HydrophobicContact CB-CG2 3.59Å; L216-I226 HydrophobicContact CD2-CD1 4.39Å
217M79.9Confident72.4Confident32 Ų3245.7 Ų45.716%0.15824%0.242CC..Hα-helixtrans-66.8-37.4174.8-74.7-57.2-54.600112.9V213 F215 V219 P221 I226 Q227 Q230V213-M217 WeakPolarHBondContact O-CB 3.41Å; V213-M217 WeakPolarHBondContact O-CG 3.46Å; V213-M217 PolarHBondContact O-N 3.47Å; F215-M217 VanDerWaalsContact C-N 3.34Å; F215-M217 PolarHBondContact O-N 3.01Å; M217-V219 PolarHBondContact O-N 3.24Å; M217-P221 HydrophobicContact CE-CB 4.29Å; M217-P221 WeakPolarHBondContact O-CB 3.37Å; M217-I226 HydrophobicContact CG-CG2 4.08Å; M217-I226 HydrophobicContact SD-CB 4.41Å; M217-I226 HydrophobicContact SD-CG2 3.63Å; M217-Q227 HydrophobicContact CE-CG 4.27Å; M217-Q227 HydrophobicContact SD-CG 4.29Å; M217-Q230 HydrophobicContact CG-CB 4.22Å; M217-Q230 HydrophobicContact CG-CG 4.18Å; M217-Q230 HydrophobicContact SD-CB 4.3Å; M217-Q230 PolarHBondContact SD-OE1 3.34Å
218A79.8Confident73.8Confident28 Ų2835.9 Ų35.923%0.23121%0.205CC..Hα-helixtrans-68.5-25.717700000112.7Y164 A172 R176 E214 F215Y164-A218 HydrophobicContact CE2-CB 4.03Å; A172-A218 HydrophobicContact CB-CB 3.67Å; R176-A218 PolarHBondContact NE-O 3.18Å; E214-A218 WeakPolarHBondContact O-CB 3.38Å; E214-A218 PolarHBondContact O-N 2.83Å; F215-A218 PolarHBondContact O-N 2.99Å
219V80.5Confident75.2Confident3 Ų332.6 Ų32.62%0.01818%0.181CC..Hα-helixtrans-97.6-38.6-175.1175.20000112.4A172 V175 R176 L183 F215 L216 M217A172-V219 HydrophobicContact CB-CG2 4.48Å; V175-V219 HydrophobicContact CB-CG2 4.38Å; V175-V219 HydrophobicContact CG1-CG1 3.69Å; V175-V219 HydrophobicContact CG1-CG2 4.11Å; R176-V219 WeakPolarHBondContact CG-O 3.45Å; L183-V219 HydrophobicContact CD1-CG1 3.17Å; L183-V219 HydrophobicContact CD2-CG1 4.35Å; L183-V219 HydrophobicContact CG-CG1 3.96Å; F215-V219 HydrophobicContact CD2-CG2 4.07Å; F215-V219 HydrophobicContact CE1-CG2 4.24Å; F215-V219 HydrophobicContact CE2-CG2 3.74Å; F215-V219 HydrophobicContact CZ-CG2 3.83Å; F215-V219 WeakPolarHBondContact O-CB 3.32Å; F215-V219 VanDerWaalsContact O-CG2 3.22Å; F215-V219 WeakPolarHBondContact O-CG2 3.46Å; F215-V219 PolarHBondContact O-N 3.14Å; F215-V219 VanDerWaalsContact O-N 3.08Å; L216-V219 PolarHBondContact O-N 3.14Å; M217-V219 PolarHBondContact O-N 3.24Å
220S80.4Confident76.4Confident25 Ų2533.8 Ų33.818%0.17518%0.182CC..  trans-141.273.9-176.7-176.60000111.1L216 D222L216-S220 CarbonylContact O-C 3.4Å; L216-S220 PolarHBondContact O-N 3.22Å; S220-D222 VanDerWaalsContact C-N 3.28Å; S220-D222 PolarHBondContact O-N 2.95Å
221P76.1Confident77.3Confident54 Ų5431.8 Ų31.835%0.35117%0.17SC..THydrogen-bonded Turntrans-68.6-22.1-173.727.1-35.2000114.4M217 Q227M217-P221 HydrophobicContact CE-CB 4.29Å; M217-P221 WeakPolarHBondContact O-CB 3.37Å; P221-Q227 PolarHBondContact O-NE2 2.79Å
222D74.9Confident77.7Confident128 Ų12832.2 Ų32.268%0.68418%0.175SC*.THydrogen-bonded Turntrans-89.6-1.1-174.1-59.6-42.9000114S220 R224S220-D222 VanDerWaalsContact C-N 3.28Å; S220-D222 PolarHBondContact O-N 2.95Å; D222-R224 PolarHBondContact O-N 2.84Å
223D78.1Confident77.8Confident37 Ų3731.6 Ų31.620%0.19817%0.17CC..  trans-80.8116.8-177.8-171-46.1000111.3K191 E225 I226 Q227K191-D223 VanDerWaalsContact CE-OD2 3.22Å; K191-D223 WeakPolarHBondContact CE-OD2 3.36Å; K191-D223 IonicContact NZ-OD1 3.14Å; K191-D223 PolarHBondContact NZ-OD1 3.42Å; K191-D223 IonicContact NZ-OD2 3.04Å; K191-D223 PolarHBondContact NZ-OD2 3.36Å; D223-E225 VanDerWaalsContact C-N 3.33Å; D223-E225 PolarHBondContact O-N 3.07Å; D223-E225 PolarHBondContact OD1-N 3.05Å; D223-I226 HydrophobicContact CB-CB 4.11Å; D223-I226 HydrophobicContact CB-CD1 3.54Å; D223-I226 HydrophobicContact CB-CG1 3.77Å; D223-I226 PolarHBondContact O-N 3.46Å; D223-I226 VanDerWaalsContact O-N 3.11Å; D223-Q227 WeakPolarHBondContact O-CG 3.17Å; D223-Q227 PolarHBondContact O-N 3.27Å
224R76.1Confident78.1Confident52 Ų5232 Ų3220%0.19617%0.172CC..Hα-helixtrans-61.9-35.5-173.8-62.2179.680.8-157.73.1113.4D222 I226 E228 L250 D266D222-R224 PolarHBondContact O-N 2.84Å; R224-I226 VanDerWaalsContact C-N 3.32Å; R224-E228 WeakPolarHBondContact O-CG 3.38Å; R224-E228 PolarHBondContact O-N 3.28Å; R224-L250 HydrophobicContact CB-CD2 4.01Å; R224-L250 HydrophobicContact CG-CD2 4.27Å; R224-L250 PolarHBondContact NH2-O 3.29Å; R224-D266 IonicContact CZ-OD2 2.76Å; R224-D266 VanDerWaalsContact NH1-CG 3.34Å; R224-D266 IonicContact NH1-OD1 2.63Å; R224-D266 PolarHBondContact NH1-OD1 3.32Å; R224-D266 IonicContact NH1-OD2 3.36Å; R224-D266 PolarHBondContact NH1-OD2 3.21Å; R224-D266 IonicContact NH2-OD2 3.49Å; R224-D266 PolarHBondContact NH2-OD2 3.49Å
225E73.8Confident78.1Confident68 Ų6829.2 Ų29.232%0.31816%0.159SC..Hα-helixtrans-71.7-32178.5-66.4-179.7159.200111.6K191 D223 L229K191-E225 WeakPolarHBondContact CD-OE2 3.48Å; K191-E225 VanDerWaalsContact CE-OE2 3.29Å; K191-E225 WeakPolarHBondContact CE-OE2 3.5Å; K191-E225 IonicContact NZ-OE2 3.29Å; K191-E225 PolarHBondContact NZ-OE2 3.46Å; D223-E225 VanDerWaalsContact C-N 3.33Å; D223-E225 PolarHBondContact O-N 3.07Å; D223-E225 PolarHBondContact OD1-N 3.05Å; E225-L229 VanDerWaalsContact O-CG 3.26Å; E225-L229 WeakPolarHBondContact O-CG 3.23Å; E225-L229 PolarHBondContact O-N 3.3Å
226I77.8Confident77.9Confident1 Ų132.7 Ų32.71%0.00518%0.177CC..Hα-helixtrans-72.8-43176.8-55.5178000110V187 L216 M217 D223 R224 E228 L229 Q230V187-I226 HydrophobicContact CG1-CD1 3.71Å; L216-I226 HydrophobicContact CB-CD1 4.11Å; L216-I226 HydrophobicContact CB-CG2 3.59Å; L216-I226 HydrophobicContact CD2-CD1 4.39Å; M217-I226 HydrophobicContact CG-CG2 4.08Å; M217-I226 HydrophobicContact SD-CB 4.41Å; M217-I226 HydrophobicContact SD-CG2 3.63Å; D223-I226 HydrophobicContact CB-CB 4.11Å; D223-I226 HydrophobicContact CB-CD1 3.54Å; D223-I226 HydrophobicContact CB-CG1 3.77Å; D223-I226 PolarHBondContact O-N 3.46Å; D223-I226 VanDerWaalsContact O-N 3.11Å; R224-I226 VanDerWaalsContact C-N 3.32Å; I226-E228 VanDerWaalsContact C-N 3.31Å; I226-E228 PolarHBondContact O-N 3.5Å; I226-L229 PolarHBondContact O-N 3.45Å; I226-Q230 WeakPolarHBondContact O-CB 3.3Å; I226-Q230 PolarHBondContact O-N 3.35Å
227Q79.1Confident77.6Confident23 Ų2337 Ų3711%0.10720%0.198CC..Hα-helixtrans-59.4-40.6172.6-71.5177-8.400111.7M217 P221 D223 Q230 A231 I246 L250M217-Q227 HydrophobicContact CE-CG 4.27Å; M217-Q227 HydrophobicContact SD-CG 4.29Å; P221-Q227 PolarHBondContact O-NE2 2.79Å; D223-Q227 WeakPolarHBondContact O-CG 3.17Å; D223-Q227 PolarHBondContact O-N 3.27Å; Q227-Q230 WeakPolarHBondContact O-CB 3.39Å; Q227-Q230 PolarHBondContact O-N 2.88Å; Q227-A231 PolarHBondContact O-N 3.49Å; Q227-I246 HydrophobicContact CB-CG2 4.32Å; Q227-I246 WeakPolarHBondContact O-CG2 3.4Å; Q227-L250 HydrophobicContact CB-CD1 4.22Å; Q227-L250 HydrophobicContact CB-CD2 3.89Å; Q227-L250 HydrophobicContact CB-CG 4.25Å; Q227-L250 VanDerWaalsContact OE1-CD2 3.26Å
228E77.9Confident77.2Confident4 Ų437.4 Ų37.42%0.01921%0.211CC..Hα-helixtrans-62.4-44.2172.9-78.8-179.1-145.500112.4Y200 R224 I226 Q230 A231 A232 L250 R270 R273 L274Y200-E228 HydrophobicContact CE1-CB 4.28Å; R224-E228 WeakPolarHBondContact O-CG 3.38Å; R224-E228 PolarHBondContact O-N 3.28Å; I226-E228 VanDerWaalsContact C-N 3.31Å; I226-E228 PolarHBondContact O-N 3.5Å; E228-Q230 VanDerWaalsContact C-N 3.3Å; E228-Q230 PolarHBondContact O-N 3.49Å; E228-A231 PolarHBondContact O-N 3.31Å; E228-A232 WeakPolarHBondContact O-CB 3.38Å; E228-A232 PolarHBondContact O-N 3.32Å; E228-L250 HydrophobicContact CB-CD1 4.35Å; E228-L250 HydrophobicContact CG-CD1 3.54Å; E228-L250 HydrophobicContact CG-CD2 4.39Å; E228-R270 IonicContact OE1-CZ 3.57Å; E228-R270 IonicContact OE1-NE 2.73Å; E228-R270 PolarHBondContact OE1-NE 3.1Å; E228-R270 IonicContact OE1-NH2 3.61Å; E228-R270 PolarHBondContact OE1-NH2 3.11Å; E228-R273 IonicContact OE2-CZ 3.69Å; E228-R273 IonicContact OE2-NE 3.69Å; E228-R273 IonicContact OE2-NH2 2.71Å; E228-R273 PolarHBondContact OE2-NH2 3.32Å; E228-L274 HydrophobicContact CG-CD2 3.68Å
229L76.8Confident77.3Confident17 Ų1742.2 Ų42.29%0.08922%0.223CC..Hα-helixtrans-63.6-36.9176.2-73.9167.7000111.7I194 Y200 E225 I226 A232 D233I194-L229 HydrophobicContact CG2-CD1 4.16Å; I194-L229 HydrophobicContact CG2-CD2 4.29Å; Y200-L229 HydrophobicContact CE1-CD2 4.27Å; Y200-L229 HydrophobicContact CE1-CG 4.48Å; E225-L229 VanDerWaalsContact O-CG 3.26Å; E225-L229 WeakPolarHBondContact O-CG 3.23Å; E225-L229 PolarHBondContact O-N 3.3Å; I226-L229 PolarHBondContact O-N 3.45Å; L229-A232 PolarHBondContact O-N 3.2Å; L229-D233 WeakPolarHBondContact O-CB 3.44Å; L229-D233 PolarHBondContact O-N 2.84Å
230Q80.3Confident77.4Confident53 Ų5344.7 Ų44.725%0.24823%0.234CC..Hα-helixtrans-64.4-47.6174-173.1-170.917.500111.8V213 M217 I226 Q227 E228 A232 D233 L234 I246V213-Q230 HydrophobicContact CG1-CB 3.82Å; V213-Q230 HydrophobicContact CG1-CG 4.24Å; M217-Q230 HydrophobicContact CG-CB 4.22Å; M217-Q230 HydrophobicContact CG-CG 4.18Å; M217-Q230 HydrophobicContact SD-CB 4.3Å; M217-Q230 PolarHBondContact SD-OE1 3.34Å; I226-Q230 WeakPolarHBondContact O-CB 3.3Å; I226-Q230 PolarHBondContact O-N 3.35Å; Q227-Q230 WeakPolarHBondContact O-CB 3.39Å; Q227-Q230 PolarHBondContact O-N 2.88Å; E228-Q230 VanDerWaalsContact C-N 3.3Å; E228-Q230 PolarHBondContact O-N 3.49Å; Q230-A232 VanDerWaalsContact C-N 3.29Å; Q230-A232 PolarHBondContact O-N 3.1Å; Q230-D233 PolarHBondContact O-N 3.09Å; Q230-L234 HydrophobicContact CG-CD1 4.07Å; Q230-L234 WeakPolarHBondContact O-CB 3.44Å; Q230-L234 WeakPolarHBondContact O-CG 3.35Å; Q230-L234 PolarHBondContact O-N 3.31Å; Q230-I246 HydrophobicContact CG-CD1 4.07Å
231A80.1Confident77.4Confident0 Ų047.6 Ų47.60%025%0.25CS..Hα-helixtrans-60-41.1176.800000111.5Q227 E228 F235 S243 I246 Y247Q227-A231 PolarHBondContact O-N 3.49Å; E228-A231 PolarHBondContact O-N 3.31Å; A231-F235 WeakPolarHBondContact O-CB 3.28Å; A231-F235 PolarHBondContact O-N 3.48Å; A231-S243 WeakPolarHBondContact O-CB 3.4Å; A231-S243 PolarHBondContact O-OG 3.07Å; A231-I246 HydrophobicContact CB-CB 3.99Å; A231-I246 HydrophobicContact CB-CG2 3.8Å; A231-Y247 HydrophobicContact CB-CD1 3.92Å; A231-Y247 HydrophobicContact CB-CD2 3.99Å; A231-Y247 HydrophobicContact CB-CE1 3.57Å; A231-Y247 HydrophobicContact CB-CE2 3.64Å; A231-Y247 HydrophobicContact CB-CG 4.12Å; A231-Y247 VanDerWaalsContact CB-CZ 3.41Å
232A75.4Confident77.7Confident31 Ų3148.3 Ų48.326%0.25625%0.249SC..Hα-helixtrans-66.5-40.817600000112.9E228 L229 Q230 F235 L236 Y247E228-A232 WeakPolarHBondContact O-CB 3.38Å; E228-A232 PolarHBondContact O-N 3.32Å; L229-A232 PolarHBondContact O-N 3.2Å; Q230-A232 VanDerWaalsContact C-N 3.29Å; Q230-A232 PolarHBondContact O-N 3.1Å; A232-F235 WeakPolarHBondContact O-CB 3.4Å; A232-F235 PolarHBondContact O-N 2.91Å; A232-L236 WeakPolarHBondContact O-CG 3.38Å; A232-L236 PolarHBondContact O-N 3.13Å; A232-L236 VanDerWaalsContact O-N 3.14Å; A232-Y247 PolarHBondContact N-OH 3.37Å
233D75.6Confident78.1Confident11 Ų1142.2 Ų42.26%0.05922%0.216CC..Hα-helixtrans-67.6-40.3177.4-157.157.7000111.5R198 T210 L229 Q230 F235 L236 M237R198-D233 IonicContact NH1-OD1 3.72Å; T210-D233 VanDerWaalsContact CG2-OD2 3.31Å; T210-D233 WeakPolarHBondContact CG2-OD2 3.43Å; L229-D233 WeakPolarHBondContact O-CB 3.44Å; L229-D233 PolarHBondContact O-N 2.84Å; Q230-D233 PolarHBondContact O-N 3.09Å; D233-F235 VanDerWaalsContact C-N 3.33Å; D233-F235 PolarHBondContact O-N 3.11Å; D233-L236 PolarHBondContact O-N 3.41Å; D233-M237 VanDerWaalsContact O-CG 3.25Å; D233-M237 WeakPolarHBondContact O-CG 3.29Å; D233-M237 PolarHBondContact O-N 2.93Å
234L79.8Confident78.3Confident21 Ų2140.9 Ų40.911%0.1121%0.21CC..Hα-helixtrans-62.2-38.9174.1-73.3167.5000112.5Q230 M237 G238 R239 E242 I246Q230-L234 HydrophobicContact CG-CD1 4.07Å; Q230-L234 WeakPolarHBondContact O-CB 3.44Å; Q230-L234 WeakPolarHBondContact O-CG 3.35Å; Q230-L234 PolarHBondContact O-N 3.31Å; L234-M237 PolarHBondContact O-N 3.44Å; L234-G238 PolarHBondContact O-N 3.17Å; L234-R239 HydrophobicContact CD2-CB 4.19Å; L234-R239 PolarHBondContact O-N 2.95Å; L234-E242 HydrophobicContact CD1-CB 4.28Å; L234-I246 HydrophobicContact CD1-CD1 3.37Å
235F77.3Confident78.7Confident23 Ų2344.5 Ų44.510%0.10123%0.23CC..Hα-helixtrans-59.9-45.6173.6-176.5-92.2000111.4A231 A232 D233 M237 G238 F240 A280 A281 L314A231-F235 WeakPolarHBondContact O-CB 3.28Å; A231-F235 PolarHBondContact O-N 3.48Å; A232-F235 WeakPolarHBondContact O-CB 3.4Å; A232-F235 PolarHBondContact O-N 2.91Å; D233-F235 VanDerWaalsContact C-N 3.33Å; D233-F235 PolarHBondContact O-N 3.11Å; F235-M237 VanDerWaalsContact C-N 3.25Å; F235-M237 PolarHBondContact O-N 3.48Å; F235-G238 PolarHBondContact O-N 3.15Å; F235-G238 VanDerWaalsContact O-N 3.13Å; F235-F240 AromaticContact CD2-CD1 3.73Å; F235-F240 HydrophobicContact CD2-CD1 3.73Å; F235-F240 HydrophobicContact CD2-CE1 4Å; F235-F240 AromaticContact CE2-CD1 3.87Å; F235-F240 HydrophobicContact CE2-CD1 3.87Å; F235-F240 AromaticContact CE2-CE1 3.93Å; F235-F240 HydrophobicContact CE2-CE1 3.93Å; F235-F240 HydrophobicContact CG-CD1 4.39Å; F235-F240 HydrophobicContact CG-CE1 4.4Å; F235-F240 HydrophobicContact CZ-CE1 4.28Å; F235-F240 WeakPolarHBondContact O-CE1 3.47Å; F235-A280 HydrophobicContact CE2-CB 3.97Å; F235-A280 HydrophobicContact CZ-CB 4.07Å; F235-A281 HydrophobicContact CD2-CB 3.88Å; F235-A281 HydrophobicContact CE2-CB 4.25Å; F235-L314 HydrophobicContact CE1-CD2 4.04Å; F235-L314 HydrophobicContact CZ-CD2 4.49Å
236L75.4Confident79.2Confident74 Ų7442.5 Ų42.539%0.38722%0.221SC..Hα-helixtrans-66-26.7178-66.6174.6000113.5L203 A232 D233 G238L203-L236 HydrophobicContact CD1-CD2 3.94Å; L203-L236 HydrophobicContact CD2-CD2 3.49Å; L203-L236 VanDerWaalsContact CD2-CD2 3.49Å; L203-L236 HydrophobicContact CG-CD2 3.57Å; A232-L236 WeakPolarHBondContact O-CG 3.38Å; A232-L236 PolarHBondContact O-N 3.13Å; A232-L236 VanDerWaalsContact O-N 3.14Å; D233-L236 PolarHBondContact O-N 3.41Å; L236-G238 VanDerWaalsContact C-N 3.27Å
237M74.1Confident79.5Confident91 Ų9143 Ų4345%0.44822%0.223SC..THydrogen-bonded Turntrans-83.30.3176.9-65.2-70.616600113.2T210 D233 L234 F235 R239T210-M237 HydrophobicContact CG2-CE 3.48Å; T210-M237 VanDerWaalsContact CG2-CE 3.48Å; T210-M237 HydrophobicContact CG2-SD 4.42Å; D233-M237 VanDerWaalsContact O-CG 3.25Å; D233-M237 WeakPolarHBondContact O-CG 3.29Å; D233-M237 PolarHBondContact O-N 2.93Å; L234-M237 PolarHBondContact O-N 3.44Å; F235-M237 VanDerWaalsContact C-N 3.25Å; F235-M237 PolarHBondContact O-N 3.48Å; M237-R239 VanDerWaalsContact C-N 3.28Å; M237-R239 PolarHBondContact O-N 2.99Å
238G72.3Confident79.7Confident41 Ų4144.2 Ų44.242%0.42323%0.232SC..THydrogen-bonded Turntrans76.69.3-177.600000114.6L234 F235 L236 F240L234-G238 PolarHBondContact O-N 3.17Å; F235-G238 PolarHBondContact O-N 3.15Å; F235-G238 VanDerWaalsContact O-N 3.13Å; L236-G238 VanDerWaalsContact C-N 3.27Å; G238-F240 VanDerWaalsContact C-N 3.27Å; G238-F240 WeakPolarHBondContact O-CD2 3.37Å; G238-F240 PolarHBondContact O-N 2.95Å; G238-F240 VanDerWaalsContact O-N 3.14Å
239R82Confident80Confident129 Ų12946.8 Ų46.849%0.48725%0.25SS..  trans-88.666.7175.7-66.9176.974.7-17310.3109.8L234 M237 E242 S243L234-R239 HydrophobicContact CD2-CB 4.19Å; L234-R239 PolarHBondContact O-N 2.95Å; M237-R239 VanDerWaalsContact C-N 3.28Å; M237-R239 PolarHBondContact O-N 2.99Å; R239-E242 IonicContact CZ-OE1 3.8Å; R239-E242 IonicContact CZ-OE2 2.97Å; R239-E242 VanDerWaalsContact NE-CD 3.29Å; R239-E242 IonicContact NE-OE1 2.75Å; R239-E242 PolarHBondContact NE-OE1 2.97Å; R239-E242 IonicContact NE-OE2 2.7Å; R239-E242 PolarHBondContact NE-OE2 2.93Å; R239-E242 IonicContact NH1-OE2 3.54Å; R239-E242 IonicContact NH2-OE1 2.74Å; R239-E242 PolarHBondContact NH2-OE1 3.27Å; R239-E242 IonicContact NH2-OE2 2.68Å; R239-E242 PolarHBondContact NH2-OE2 3.23Å; R239-S243 PolarHBondContact O-N 3.14Å
240F81.9Confident80.3Confident56 Ų5646 Ų4625%0.24625%0.246CC..Hα-helixtrans-67.4-37.8-168.3-59.5-57.8000114.5F235 G238 S243 A244 A281 S284 A285F235-F240 AromaticContact CD2-CD1 3.73Å; F235-F240 HydrophobicContact CD2-CD1 3.73Å; F235-F240 HydrophobicContact CD2-CE1 4Å; F235-F240 AromaticContact CE2-CD1 3.87Å; F235-F240 HydrophobicContact CE2-CD1 3.87Å; F235-F240 AromaticContact CE2-CE1 3.93Å; F235-F240 HydrophobicContact CE2-CE1 3.93Å; F235-F240 HydrophobicContact CG-CD1 4.39Å; F235-F240 HydrophobicContact CG-CE1 4.4Å; F235-F240 HydrophobicContact CZ-CE1 4.28Å; F235-F240 WeakPolarHBondContact O-CE1 3.47Å; G238-F240 VanDerWaalsContact C-N 3.27Å; G238-F240 WeakPolarHBondContact O-CD2 3.37Å; G238-F240 PolarHBondContact O-N 2.95Å; G238-F240 VanDerWaalsContact O-N 3.14Å; F240-S243 WeakPolarHBondContact O-CB 3.37Å; F240-S243 PolarHBondContact O-N 3.08Å; F240-A244 PolarHBondContact O-N 3.21Å; F240-A281 WeakPolarHBondContact CB-O 3.27Å; F240-S284 WeakPolarHBondContact CD2-O 3.25Å; F240-A285 HydrophobicContact CB-CB 3.69Å
241V81.6Confident80.2Confident86 Ų8645.6 Ų45.652%0.52125%0.245SC..Hα-helixtrans-61.7-48.6179.6179.30000111.2S243 A244 E245 A285V241-S243 VanDerWaalsContact C-N 3.32Å; V241-S243 PolarHBondContact O-N 3.3Å; V241-A244 WeakPolarHBondContact O-CB 3.45Å; V241-A244 PolarHBondContact O-N 2.8Å; V241-E245 PolarHBondContact O-N 2.99Å; V241-A285 HydrophobicContact CG2-CB 3.89Å
242E82.5Confident79.9Confident68 Ų6852.2 Ų52.232%0.31828%0.276SS..Hα-helixtrans-67.9-34.5-179.6-61.2173.8-149.600112.1L234 R239 E245 I246L234-E242 HydrophobicContact CD1-CB 4.28Å; R239-E242 IonicContact CZ-OE1 3.8Å; R239-E242 IonicContact CZ-OE2 2.97Å; R239-E242 VanDerWaalsContact NE-CD 3.29Å; R239-E242 IonicContact NE-OE1 2.75Å; R239-E242 PolarHBondContact NE-OE1 2.97Å; R239-E242 IonicContact NE-OE2 2.7Å; R239-E242 PolarHBondContact NE-OE2 2.93Å; R239-E242 IonicContact NH1-OE2 3.54Å; R239-E242 IonicContact NH2-OE1 2.74Å; R239-E242 PolarHBondContact NH2-OE1 3.27Å; R239-E242 IonicContact NH2-OE2 2.68Å; R239-E242 PolarHBondContact NH2-OE2 3.23Å; E242-E245 PolarHBondContact O-N 3.29Å; E242-I246 WeakPolarHBondContact O-CG1 3.46Å; E242-I246 PolarHBondContact O-N 3.49Å
243S83Confident79.6Confident0 Ų054.5 Ų54.50%028%0.281CS..Hα-helixtrans-60.9-45172.2-177.60000111.5A231 R239 F240 V241 I246 Y247A231-S243 WeakPolarHBondContact O-CB 3.4Å; A231-S243 PolarHBondContact O-OG 3.07Å; R239-S243 PolarHBondContact O-N 3.14Å; F240-S243 WeakPolarHBondContact O-CB 3.37Å; F240-S243 PolarHBondContact O-N 3.08Å; V241-S243 VanDerWaalsContact C-N 3.32Å; V241-S243 PolarHBondContact O-N 3.3Å; S243-I246 PolarHBondContact O-N 3.18Å; S243-Y247 WeakPolarHBondContact O-CD2 3.45Å; S243-Y247 PolarHBondContact O-N 2.76Å; S243-Y247 VanDerWaalsContact O-N 3.1Å; S243-Y247 WeakPolarHBondContact OG-CE2 3.44Å
244A81.9Confident78.6Confident10 Ų1063.6 Ų63.68%0.08332%0.321CS..Hα-helixtrans-65.1-39178.600000113.3F240 V241 Y247 T248 A281 C282F240-A244 PolarHBondContact O-N 3.21Å; V241-A244 WeakPolarHBondContact O-CB 3.45Å; V241-A244 PolarHBondContact O-N 2.8Å; A244-Y247 PolarHBondContact O-N 3.45Å; A244-T248 WeakPolarHBondContact O-CB 3.42Å; A244-T248 PolarHBondContact O-N 3.15Å; A244-T248 PolarHBondContact O-OG1 3.46Å; A244-A281 HydrophobicContact CB-CB 4Å; A244-C282 WeakPolarHBondContact CB-SG 3.18Å
245E84.7Confident77.3Confident128 Ų12869.2 Ų69.260%0.59835%0.35SS*.Hα-helixtrans-61.6-42.8176-73.2176179.900111.7V241 E242 T248 S249V241-E245 PolarHBondContact O-N 2.99Å; E242-E245 PolarHBondContact O-N 3.29Å; E245-T248 WeakPolarHBondContact O-CB 3.31Å; E245-T248 PolarHBondContact O-N 3.36Å; E245-S249 PolarHBondContact O-N 3.07Å
246I83Confident75.5Confident26 Ų2672 Ų7213%0.13337%0.372CS..Hα-helixtrans-66.5-45.2177.6-63.2165.8000110.6Q227 Q230 A231 L234 E242 S243 T248 S249 L250Q227-I246 HydrophobicContact CB-CG2 4.32Å; Q227-I246 WeakPolarHBondContact O-CG2 3.4Å; Q230-I246 HydrophobicContact CG-CD1 4.07Å; A231-I246 HydrophobicContact CB-CB 3.99Å; A231-I246 HydrophobicContact CB-CG2 3.8Å; L234-I246 HydrophobicContact CD1-CD1 3.37Å; E242-I246 WeakPolarHBondContact O-CG1 3.46Å; E242-I246 PolarHBondContact O-N 3.49Å; S243-I246 PolarHBondContact O-N 3.18Å; I246-T248 PolarHBondContact O-N 3.31Å; I246-S249 PolarHBondContact O-N 3.27Å; I246-S249 VanDerWaalsContact O-N 3.13Å; I246-S249 PolarHBondContact O-OG 3.47Å; I246-L250 HydrophobicContact CG2-CD1 4.13Å; I246-L250 WeakPolarHBondContact O-CG 3.43Å; I246-L250 PolarHBondContact O-N 2.65Å
247Y84.8Confident73.7Confident11 Ų1174.9 Ų74.94%0.04340%0.395CS..Hα-helixtrans-60.5-34.5174.7-72.1-55.7000112.6A231 A232 S243 A244 L250 L251 L274 C277 R278A231-Y247 HydrophobicContact CB-CD1 3.92Å; A231-Y247 HydrophobicContact CB-CD2 3.99Å; A231-Y247 HydrophobicContact CB-CE1 3.57Å; A231-Y247 HydrophobicContact CB-CE2 3.64Å; A231-Y247 HydrophobicContact CB-CG 4.12Å; A231-Y247 VanDerWaalsContact CB-CZ 3.41Å; A232-Y247 PolarHBondContact N-OH 3.37Å; S243-Y247 WeakPolarHBondContact O-CD2 3.45Å; S243-Y247 PolarHBondContact O-N 2.76Å; S243-Y247 VanDerWaalsContact O-N 3.1Å; S243-Y247 WeakPolarHBondContact OG-CE2 3.44Å; A244-Y247 PolarHBondContact O-N 3.45Å; Y247-L250 HydrophobicContact CD1-CD1 4.24Å; Y247-L250 PolarHBondContact O-N 3.27Å; Y247-L251 WeakPolarHBondContact O-CG 3.31Å; Y247-L251 PolarHBondContact O-N 3.23Å; Y247-L251 VanDerWaalsContact O-N 3.11Å; Y247-L274 HydrophobicContact CD1-CD2 3.89Å; Y247-L274 HydrophobicContact CE1-CD2 4.08Å; Y247-C277 HydrophobicContact CD1-CB 4.32Å; Y247-C277 HydrophobicContact CD2-CB 4.21Å; Y247-C277 HydrophobicContact CE1-CB 3.79Å; Y247-C277 HydrophobicContact CE2-CB 3.67Å; Y247-C277 VanDerWaalsContact CZ-CB 3.43Å; Y247-R278 HydrophobicContact CD2-CB 4.5Å; Y247-R278 HydrophobicContact CG-CB 4.36Å
248T84.4Confident72Confident49 Ų4979.5 Ų79.530%0.30141%0.408SS..Hα-helixtrans-64.8-44.3174.1-59.60000111.4A244 E245 I246 L250 L251 H252 R278A244-T248 WeakPolarHBondContact O-CB 3.42Å; A244-T248 PolarHBondContact O-N 3.15Å; A244-T248 PolarHBondContact O-OG1 3.46Å; E245-T248 WeakPolarHBondContact O-CB 3.31Å; E245-T248 PolarHBondContact O-N 3.36Å; I246-T248 PolarHBondContact O-N 3.31Å; T248-L250 VanDerWaalsContact C-N 3.33Å; T248-L250 PolarHBondContact O-N 2.96Å; T248-L251 PolarHBondContact O-N 3.19Å; T248-H252 PolarHBondContact O-CD2 3.48Å; T248-H252 PolarHBondContact O-N 3.38Å; T248-H252 VanDerWaalsContact O-N 3.15Å; T248-R278 VanDerWaalsContact OG1-CD 3.23Å; T248-R278 WeakPolarHBondContact OG1-CD 3.38Å; T248-R278 PolarHBondContact OG1-NH1 3.31Å
249S83.4Confident70.3Confident58 Ų5883.4 Ų83.441%0.40643%0.426SS..Hα-helixtrans-60.8-41.2175.576.20000112.5E245 I246 L251 H252 Q253E245-S249 PolarHBondContact O-N 3.07Å; I246-S249 PolarHBondContact O-N 3.27Å; I246-S249 VanDerWaalsContact O-N 3.13Å; I246-S249 PolarHBondContact O-OG 3.47Å; S249-L251 VanDerWaalsContact C-N 3.35Å; S249-L251 PolarHBondContact O-N 3.26Å; S249-H252 PolarHBondContact O-N 3.02Å; S249-Q253 PolarHBondContact O-N 2.9Å; S249-Q253 VanDerWaalsContact O-N 3.09Å
250L82.3Confident68.2Low0 Ų082.1 Ų82.10%044%0.443CS..Hα-helixtrans-65.3-34.7179-79.4166.8000113.6R224 Q227 E228 I246 Y247 T248 L274R224-L250 HydrophobicContact CB-CD2 4.01Å; R224-L250 HydrophobicContact CG-CD2 4.27Å; R224-L250 PolarHBondContact NH2-O 3.29Å; Q227-L250 HydrophobicContact CB-CD1 4.22Å; Q227-L250 HydrophobicContact CB-CD2 3.89Å; Q227-L250 HydrophobicContact CB-CG 4.25Å; Q227-L250 VanDerWaalsContact OE1-CD2 3.26Å; E228-L250 HydrophobicContact CB-CD1 4.35Å; E228-L250 HydrophobicContact CG-CD1 3.54Å; E228-L250 HydrophobicContact CG-CD2 4.39Å; I246-L250 HydrophobicContact CG2-CD1 4.13Å; I246-L250 WeakPolarHBondContact O-CG 3.43Å; I246-L250 PolarHBondContact O-N 2.65Å; Y247-L250 HydrophobicContact CD1-CD1 4.24Å; Y247-L250 PolarHBondContact O-N 3.27Å; T248-L250 VanDerWaalsContact C-N 3.33Å; T248-L250 PolarHBondContact O-N 2.96Å; L250-L274 HydrophobicContact CD1-CD2 4.37Å
251L78.7Confident66.1Low45 Ų4587.3 Ų87.324%0.23647%0.473CS..Hα-helixtrans-77.3-28.3178.1-73.7167.1000112.7Y247 T248 S249 K271 L274 L275Y247-L251 WeakPolarHBondContact O-CG 3.31Å; Y247-L251 PolarHBondContact O-N 3.23Å; Y247-L251 VanDerWaalsContact O-N 3.11Å; T248-L251 PolarHBondContact O-N 3.19Å; S249-L251 VanDerWaalsContact C-N 3.35Å; S249-L251 PolarHBondContact O-N 3.26Å; L251-K271 HydrophobicContact CD2-CG 4.49Å; L251-L274 HydrophobicContact CD2-CB 3.87Å; L251-L274 HydrophobicContact CD2-CD1 4.25Å; L251-L274 HydrophobicContact CG-CB 4.3Å; L251-L275 HydrophobicContact CD1-CD2 3.75Å; L251-L275 HydrophobicContact CD1-CG 4.37Å; L251-L275 HydrophobicContact CD2-CD2 4.21Å; L251-L275 HydrophobicContact CD2-CG 4.19Å
252H73.7Confident64Low139 Ų13990.4 Ų90.464%0.64448%0.482SS*.Hα-helixtrans-93.9-11.1-179.7-73.4-59.2000115T248 S249 K254T248-H252 PolarHBondContact O-CD2 3.48Å; T248-H252 PolarHBondContact O-N 3.38Å; T248-H252 VanDerWaalsContact O-N 3.15Å; S249-H252 PolarHBondContact O-N 3.02Å; H252-K254 PolarHBondContact O-N 3.29Å
253Q70.2Confident61.9Low79 Ų7994.8 Ų94.837%0.36951%0.506SS..  trans-67.2102.6-179.6-153.8176.221.200110.9S249S249-Q253 PolarHBondContact O-N 2.9Å; S249-Q253 VanDerWaalsContact O-N 3.09Å
254K54.3Low60Low202 Ų202100.2 Ų100.288%0.87854%0.542SS*.PPolyproline II helixtrans-72.5131.4176.2-74.8-174.3177.6-179.90110.8H252 S256H252-K254 PolarHBondContact O-N 3.29Å; K254-S256 PolarHBondContact O-N 2.96Å
255L52.2Low58.6Low139 Ų139107.6 Ų107.673%0.72857%0.574SS**PPolyproline II helixtrans-57.7128.3172.8-79127.6000110.9
256S38.4Very low57.2Low81 Ų81104.2 Ų104.257%0.56656%0.56SS**PPolyproline II helixtrans-63.7139.4158.457.50000109.1K254 R258K254-S256 PolarHBondContact O-N 2.96Å; S256-R258 PolarHBondContact O-N 3.39Å
257P39.3Very low56.6Low135 Ų135104.3 Ų104.388%0.87757%0.568SS**  trans-64.1111.8-179.825.6-31.2000110
258R37.4Very low56.2Low188 Ų188107.4 Ų107.471%0.70959%0.589SS**  trans-94.8151.4167.2-80.7-173178.4176.21.9109.6S256S256-R258 PolarHBondContact O-N 3.39Å
259P36.1Very low55.9Low123 Ų123110.5 Ų110.580%0.79960%0.6SS**  trans-62.4152.9-177.224.5-32.3000112.8D261P259-D261 VanDerWaalsContact C-N 3.32Å; P259-D261 PolarHBondContact O-N 2.74Å
260A38.3Very low55.7Low102 Ų102109.3 Ų109.384%0.84359%0.587SS**THydrogen-bonded Turntrans-74.917.5-150.600000118.9
261D37Very low55.8Low164 Ų164114.3 Ų114.388%0.87761%0.609SS**THydrogen-bonded Turntrans-11711.4-171.7-84.7-23.5000115.9P259P259-D261 VanDerWaalsContact C-N 3.32Å; P259-D261 PolarHBondContact O-N 2.74Å
262E39.3Very low56Low152 Ų152112.2 Ų112.271%0.7160%0.598SS**SBendtrans-114.7124169.9-71178.3168.600109.9
263L38.2Very low56.5Low159 Ų159107.5 Ų107.583%0.83257%0.574SS**  trans-49144.3175.5-81.4126.7000110.7E265L263-E265 PolarHBondContact O-N 3.24Å
264P43.3Very low57.2Low115 Ų115104 Ų10475%0.74756%0.558SS**  trans-60.5108.7178.524-31.3000109.9D266P264-D266 PolarHBondContact O-N 2.68Å; P264-D266 VanDerWaalsContact O-N 3.15Å
265E51Low58.7Low164 Ų16494.5 Ų94.577%0.76652%0.517SS*.SBendtrans-65.8-11.5-179.1-73.3-166.5147.800113.9L263 G267L263-E265 PolarHBondContact O-N 3.24Å; E265-G267 PolarHBondContact O-N 3.12Å
266D56.9Low60.3Low57 Ų5787.9 Ų87.931%0.30548%0.482SS..  trans-92.477173.8-78.1-4.4000111R224 P264 R270R224-D266 IonicContact CZ-OD2 2.76Å; R224-D266 VanDerWaalsContact NH1-CG 3.34Å; R224-D266 IonicContact NH1-OD1 2.63Å; R224-D266 PolarHBondContact NH1-OD1 3.32Å; R224-D266 IonicContact NH1-OD2 3.36Å; R224-D266 PolarHBondContact NH1-OD2 3.21Å; R224-D266 IonicContact NH2-OD2 3.49Å; R224-D266 PolarHBondContact NH2-OD2 3.49Å; P264-D266 PolarHBondContact O-N 2.68Å; P264-D266 VanDerWaalsContact O-N 3.15Å; D266-R270 VanDerWaalsContact OD1-CD 3.3Å; D266-R270 WeakPolarHBondContact OD1-CD 3.42Å; D266-R270 IonicContact OD1-CZ 2.83Å; D266-R270 IonicContact OD1-NE 2.71Å; D266-R270 IonicContact OD1-NH1 2.61Å; D266-R270 PolarHBondContact OD1-NH1 3.27Å
267G68.8Low62.5Low28 Ų2884.6 Ų84.629%0.28946%0.459SS..  trans-62.1155.8171.300000112.7E265 E269 R270 K271E265-G267 PolarHBondContact O-N 3.12Å; G267-E269 PolarHBondContact O-N 3.36Å; G267-R270 PolarHBondContact O-N 2.96Å; G267-K271 PolarHBondContact O-N 3.06Å
268P76.1Confident64.7Low76 Ų7679.8 Ų79.849%0.49442%0.423SS..Hα-helixtrans-55.1-29178.723-33.8000112.7K271 A272 I302P268-K271 PolarHBondContact O-N 2.99Å; P268-A272 WeakPolarHBondContact O-CB 3.46Å; P268-A272 PolarHBondContact O-N 3.19Å; P268-I302 HydrophobicContact CB-CG2 3.53Å; P268-I302 VanDerWaalsContact O-CG2 3.29Å; P268-I302 WeakPolarHBondContact O-CG2 3.3Å
269E79.7Confident66.9Low114 Ų11470.8 Ų70.853%0.53339%0.39SS..Hα-helixtrans-62.5-42.6175.4-59.9-177.6-178.900113.2G267 R273G267-E269 PolarHBondContact O-N 3.36Å; E269-R273 WeakPolarHBondContact O-CB 3.48Å; E269-R273 PolarHBondContact O-N 2.88Å
270R79.3Confident69.1Low34 Ų3465 Ų6513%0.12835%0.352CS..Hα-helixtrans-66.4-44.1179.1-173.5-176.6-175.8170.412.3110.2E228 D266 G267 R273 L274E228-R270 IonicContact OE1-CZ 3.57Å; E228-R270 IonicContact OE1-NE 2.73Å; E228-R270 PolarHBondContact OE1-NE 3.1Å; E228-R270 IonicContact OE1-NH2 3.61Å; E228-R270 PolarHBondContact OE1-NH2 3.11Å; D266-R270 VanDerWaalsContact OD1-CD 3.3Å; D266-R270 WeakPolarHBondContact OD1-CD 3.42Å; D266-R270 IonicContact OD1-CZ 2.83Å; D266-R270 IonicContact OD1-NE 2.71Å; D266-R270 IonicContact OD1-NH1 2.61Å; D266-R270 PolarHBondContact OD1-NH1 3.27Å; G267-R270 PolarHBondContact O-N 2.96Å; R270-R273 WeakPolarHBondContact O-CB 3.35Å; R270-R273 PolarHBondContact O-N 2.98Å; R270-L274 HydrophobicContact CG-CD1 4.32Å; R270-L274 VanDerWaalsContact O-CG 3.31Å; R270-L274 WeakPolarHBondContact O-CG 3.25Å; R270-L274 PolarHBondContact O-N 3.23Å
271K83.3Confident71.2Confident105 Ų10560.1 Ų60.146%0.45731%0.311SS..Hα-helixtrans-63.3-46.5177.9-170.3175.3174.5-170.80111.9L251 G267 P268 R273 L274 L275 I302L251-K271 HydrophobicContact CD2-CG 4.49Å; G267-K271 PolarHBondContact O-N 3.06Å; P268-K271 PolarHBondContact O-N 2.99Å; K271-R273 VanDerWaalsContact C-N 3.3Å; K271-R273 PolarHBondContact O-N 3.35Å; K271-L274 PolarHBondContact O-N 2.97Å; K271-L275 HydrophobicContact CG-CD1 4.19Å; K271-L275 WeakPolarHBondContact O-CG 3.21Å; K271-L275 PolarHBondContact O-N 3.21Å; K271-I302 HydrophobicContact CD-CD1 3.77Å; K271-I302 HydrophobicContact CG-CD1 3.97Å
272A83.4Confident73.2Confident0 Ų053.2 Ų53.20%028%0.276CS..Hα-helixtrans-60.8-38.7175.800000112.3P268 T276 A299 I302 H303P268-A272 WeakPolarHBondContact O-CB 3.46Å; P268-A272 PolarHBondContact O-N 3.19Å; A272-T276 WeakPolarHBondContact O-CB 3.36Å; A272-T276 PolarHBondContact O-N 3.19Å; A272-T276 PolarHBondContact O-OG1 3.45Å; A272-A299 HydrophobicContact CB-CB 4.5Å; A272-I302 HydrophobicContact CB-CB 4.5Å; A272-I302 HydrophobicContact CB-CG2 4.41Å; A272-H303 HydrophobicContact CB-CB 3.87Å
273R84.4Confident75Confident40 Ų4047.2 Ų47.215%0.15125%0.249CC..Hα-helixtrans-60.7-52.6173.5175.3178.174.9-1713111.7E228 E269 R270 K271 L275 T276 C277 T306 Y310E228-R273 IonicContact OE2-CZ 3.69Å; E228-R273 IonicContact OE2-NE 3.69Å; E228-R273 IonicContact OE2-NH2 2.71Å; E228-R273 PolarHBondContact OE2-NH2 3.32Å; E269-R273 WeakPolarHBondContact O-CB 3.48Å; E269-R273 PolarHBondContact O-N 2.88Å; R270-R273 WeakPolarHBondContact O-CB 3.35Å; R270-R273 PolarHBondContact O-N 2.98Å; K271-R273 VanDerWaalsContact C-N 3.3Å; K271-R273 PolarHBondContact O-N 3.35Å; R273-L275 VanDerWaalsContact C-N 3.34Å; R273-L275 PolarHBondContact O-N 3.47Å; R273-T276 PolarHBondContact O-N 3.27Å; R273-C277 PolarHBondContact O-N 3.36Å; R273-C277 PolarHBondContact O-SG 3.35Å; R273-T306 HydrophobicContact CB-CG2 4.33Å; R273-Y310 HydrophobicContact CB-CD2 4.47Å; R273-Y310 HydrophobicContact CB-CE2 4.28Å; R273-Y310 WeakPolarHBondContact CD-OH 3.46Å; R273-Y310 HydrophobicContact CG-CD1 4.01Å; R273-Y310 HydrophobicContact CG-CD2 4.31Å; R273-Y310 HydrophobicContact CG-CE1 3.64Å; R273-Y310 HydrophobicContact CG-CE2 3.98Å; R273-Y310 HydrophobicContact CG-CG 4.33Å
274L84.6Confident77Confident6 Ų641.2 Ų41.23%0.03122%0.22CC..Hα-helixtrans-59-44.8-178.1-70.5174.5000112.1E228 Y247 L250 L251 R270 K271 C277 R278E228-L274 HydrophobicContact CG-CD2 3.68Å; Y247-L274 HydrophobicContact CD1-CD2 3.89Å; Y247-L274 HydrophobicContact CE1-CD2 4.08Å; L250-L274 HydrophobicContact CD1-CD2 4.37Å; L251-L274 HydrophobicContact CD2-CB 3.87Å; L251-L274 HydrophobicContact CD2-CD1 4.25Å; L251-L274 HydrophobicContact CG-CB 4.3Å; R270-L274 HydrophobicContact CG-CD1 4.32Å; R270-L274 VanDerWaalsContact O-CG 3.31Å; R270-L274 WeakPolarHBondContact O-CG 3.25Å; R270-L274 PolarHBondContact O-N 3.23Å; K271-L274 PolarHBondContact O-N 2.97Å; L274-C277 PolarHBondContact O-N 3.42Å; L274-R278 WeakPolarHBondContact O-CB 3.44Å; L274-R278 PolarHBondContact O-N 2.87Å
275L85.9Confident78.6Confident3 Ų337.7 Ų37.72%0.01620%0.2CC..Hα-helixtrans-62-43.3176-72.1168000111.9L251 K271 R273 C277 R278 A279 D295 E298 A299 I302L251-L275 HydrophobicContact CD1-CD2 3.75Å; L251-L275 HydrophobicContact CD1-CG 4.37Å; L251-L275 HydrophobicContact CD2-CD2 4.21Å; L251-L275 HydrophobicContact CD2-CG 4.19Å; K271-L275 HydrophobicContact CG-CD1 4.19Å; K271-L275 WeakPolarHBondContact O-CG 3.21Å; K271-L275 PolarHBondContact O-N 3.21Å; R273-L275 VanDerWaalsContact C-N 3.34Å; R273-L275 PolarHBondContact O-N 3.47Å; L275-C277 VanDerWaalsContact C-N 3.34Å; L275-C277 PolarHBondContact O-N 2.87Å; L275-R278 PolarHBondContact O-N 3.18Å; L275-A279 WeakPolarHBondContact O-CB 3.4Å; L275-A279 PolarHBondContact O-N 3.43Å; L275-D295 HydrophobicContact CD2-CB 4.25Å; L275-E298 HydrophobicContact CD1-CB 3.95Å; L275-A299 HydrophobicContact CB-CB 3.82Å; L275-A299 HydrophobicContact CD1-CB 4.48Å; L275-I302 HydrophobicContact CD1-CD1 3.75Å
276T85.4Confident79.4Confident0 Ų033.2 Ų33.20%020%0.198CC..Hα-helixtrans-64.3-39.2176.8-50.80000111.8A272 R273 A280 L296 F311 L314A272-T276 WeakPolarHBondContact O-CB 3.36Å; A272-T276 PolarHBondContact O-N 3.19Å; A272-T276 PolarHBondContact O-OG1 3.45Å; R273-T276 PolarHBondContact O-N 3.27Å; T276-A280 WeakPolarHBondContact O-CB 3.49Å; T276-A280 PolarHBondContact O-N 2.84Å; T276-L296 HydrophobicContact CG2-CD2 4.24Å; T276-F311 HydrophobicContact CG2-CB 4.41Å; T276-L314 HydrophobicContact CG2-CD1 4.44Å
277C84.3Confident79.6Confident12 Ų1232 Ų328%0.08120%0.199CC..Hα-helixtrans-68.5-41.8177-67.70000112.5Y247 R273 L274 L275 A280 A281 L314Y247-C277 HydrophobicContact CD1-CB 4.32Å; Y247-C277 HydrophobicContact CD2-CB 4.21Å; Y247-C277 HydrophobicContact CE1-CB 3.79Å; Y247-C277 HydrophobicContact CE2-CB 3.67Å; Y247-C277 VanDerWaalsContact CZ-CB 3.43Å; R273-C277 PolarHBondContact O-N 3.36Å; R273-C277 PolarHBondContact O-SG 3.35Å; L274-C277 PolarHBondContact O-N 3.42Å; L275-C277 VanDerWaalsContact C-N 3.34Å; L275-C277 PolarHBondContact O-N 2.87Å; C277-A280 PolarHBondContact O-N 3.03Å; C277-A281 PolarHBondContact O-N 3.46Å; C277-L314 HydrophobicContact CB-CD1 4.4Å
278R85.3Confident79Confident33 Ų3339.5 Ų39.513%0.12522%0.224CC..Hα-helixtrans-61.4-47.7175.3-171.7168.566.4173.51.3110.9Y247 T248 L274 L275 A280 A281 C282 D295Y247-R278 HydrophobicContact CD2-CB 4.5Å; Y247-R278 HydrophobicContact CG-CB 4.36Å; T248-R278 VanDerWaalsContact OG1-CD 3.23Å; T248-R278 WeakPolarHBondContact OG1-CD 3.38Å; T248-R278 PolarHBondContact OG1-NH1 3.31Å; L274-R278 WeakPolarHBondContact O-CB 3.44Å; L274-R278 PolarHBondContact O-N 2.87Å; L275-R278 PolarHBondContact O-N 3.18Å; R278-A280 VanDerWaalsContact C-N 3.32Å; R278-A280 PolarHBondContact O-N 3.37Å; R278-A281 PolarHBondContact O-N 2.65Å; R278-A281 VanDerWaalsContact O-N 3.15Å; R278-C282 PolarHBondContact O-N 3.01Å; R278-C282 PolarHBondContact O-SG 3.37Å; R278-D295 IonicContact CZ-OD1 3.64Å; R278-D295 IonicContact CZ-OD2 3.75Å; R278-D295 VanDerWaalsContact CZ-OD2 3.26Å; R278-D295 IonicContact NE-OD1 3.74Å; R278-D295 IonicContact NE-OD2 2.77Å; R278-D295 PolarHBondContact NE-OD2 3.27Å; R278-D295 IonicContact NH2-OD1 4Å; R278-D295 PolarHBondContact NH2-OD1 3.5Å; R278-D295 IonicContact NH2-OD2 3.28Å; R278-D295 PolarHBondContact NH2-OD2 3.19Å; R278-D295 VanDerWaalsContact NH2-OD2 3.11Å
279A84.3Confident78.1Confident0 Ų038.7 Ų38.70%022%0.217CC..Hα-helixtrans-58.6-42.8177.100000112.6L275 C282 L283 E292 D295 L296L275-A279 WeakPolarHBondContact O-CB 3.4Å; L275-A279 PolarHBondContact O-N 3.43Å; A279-C282 PolarHBondContact O-N 2.68Å; A279-L283 WeakPolarHBondContact O-CB 3.49Å; A279-L283 VanDerWaalsContact O-CG 3.31Å; A279-L283 WeakPolarHBondContact O-CG 3.35Å; A279-L283 PolarHBondContact O-N 3.09Å; A279-E292 WeakPolarHBondContact CB-O 3.33Å; A279-D295 HydrophobicContact CB-CB 4.06Å; A279-L296 HydrophobicContact CB-CD1 4.25Å; A279-L296 HydrophobicContact CB-CD2 3.61Å; A279-L296 HydrophobicContact CB-CG 3.53Å
280A83.2Confident76.8Confident0 Ų036.3 Ų36.30%022%0.217CC..Hα-helixtrans-62.1-43.8175.600000112F235 T276 C277 R278 S284 L314 F315F235-A280 HydrophobicContact CE2-CB 3.97Å; F235-A280 HydrophobicContact CZ-CB 4.07Å; T276-A280 WeakPolarHBondContact O-CB 3.49Å; T276-A280 PolarHBondContact O-N 2.84Å; C277-A280 PolarHBondContact O-N 3.03Å; R278-A280 VanDerWaalsContact C-N 3.32Å; R278-A280 PolarHBondContact O-N 3.37Å; A280-S284 WeakPolarHBondContact O-CB 3.47Å; A280-S284 PolarHBondContact O-N 3.37Å; A280-S284 VanDerWaalsContact O-N 3.08Å; A280-S284 PolarHBondContact O-OG 3.42Å; A280-L314 HydrophobicContact CB-CB 3.9Å; A280-L314 HydrophobicContact CB-CD1 3.99Å; A280-F315 VanDerWaalsContact CA-CZ 3.5Å; A280-F315 HydrophobicContact CB-CE1 4.4Å; A280-F315 HydrophobicContact CB-CE2 3.76Å; A280-F315 HydrophobicContact CB-CZ 3.7Å
281A81.7Confident75.9Confident0 Ų042.1 Ų42.10%025%0.246CC..Hα-helixtrans-61.8-49.2177.300000111.5F235 F240 A244 C277 R278 L283 S284 A285F235-A281 HydrophobicContact CD2-CB 3.88Å; F235-A281 HydrophobicContact CE2-CB 4.25Å; F240-A281 WeakPolarHBondContact CB-O 3.27Å; A244-A281 HydrophobicContact CB-CB 4Å; C277-A281 PolarHBondContact O-N 3.46Å; R278-A281 PolarHBondContact O-N 2.65Å; R278-A281 VanDerWaalsContact O-N 3.15Å; A281-L283 PolarHBondContact O-N 2.79Å; A281-S284 PolarHBondContact O-N 3.15Å; A281-A285 WeakPolarHBondContact O-CB 3.44Å; A281-A285 PolarHBondContact O-N 3.36Å
282C78.9Confident75Confident20 Ų2037.9 Ų37.914%0.13523%0.228CC..Hα-helixtrans-63.5-44.1-179-59.90000112.8A244 R278 A279 S284 A285 G286 G287 E292A244-C282 WeakPolarHBondContact CB-SG 3.18Å; R278-C282 PolarHBondContact O-N 3.01Å; R278-C282 PolarHBondContact O-SG 3.37Å; A279-C282 PolarHBondContact O-N 2.68Å; C282-S284 VanDerWaalsContact C-N 3.34Å; C282-S284 PolarHBondContact O-N 3.25Å; C282-A285 WeakPolarHBondContact O-CB 3.49Å; C282-A285 PolarHBondContact O-N 3.46Å; C282-A285 VanDerWaalsContact O-N 3.08Å; C282-G286 PolarHBondContact O-N 3.19Å; C282-G287 PolarHBondContact O-N 3.04Å; C282-E292 HydrophobicContact CB-CB 4.05Å; C282-E292 HydrophobicContact CB-CG 3.43Å; C282-E292 VanDerWaalsContact CB-CG 3.43Å; C282-E292 WeakPolarHBondContact CB-OE1 3.49Å
283L78.1Confident74Confident26 Ų2637.9 Ų37.914%0.13623%0.228CC..Hα-helixtrans-64.8-37.2178.9-74169.3000112.3A279 A281 A285 G286 L296 F315 A324A279-L283 WeakPolarHBondContact O-CB 3.49Å; A279-L283 VanDerWaalsContact O-CG 3.31Å; A279-L283 WeakPolarHBondContact O-CG 3.35Å; A279-L283 PolarHBondContact O-N 3.09Å; A281-L283 PolarHBondContact O-N 2.79Å; L283-A285 VanDerWaalsContact C-N 3.3Å; L283-G286 PolarHBondContact O-N 3.34Å; L283-L296 HydrophobicContact CD1-CD1 4.24Å; L283-F315 HydrophobicContact CB-CE1 4.44Å; L283-F315 HydrophobicContact CD1-CE1 3.65Å; L283-F315 HydrophobicContact CD1-CZ 3.94Å; L283-A324 HydrophobicContact CD1-CB 3.79Å
284S78.6Confident73.4Confident33 Ų3338.3 Ų38.323%0.23124%0.235CC..Hα-helixtrans-71.8-23.1174-67.70000113.3F240 A280 A281 C282 G286F240-S284 WeakPolarHBondContact CD2-O 3.25Å; A280-S284 WeakPolarHBondContact O-CB 3.47Å; A280-S284 PolarHBondContact O-N 3.37Å; A280-S284 VanDerWaalsContact O-N 3.08Å; A280-S284 PolarHBondContact O-OG 3.42Å; A281-S284 PolarHBondContact O-N 3.15Å; C282-S284 VanDerWaalsContact C-N 3.34Å; C282-S284 PolarHBondContact O-N 3.25Å; S284-G286 VanDerWaalsContact C-N 3.31Å
285A77Confident73.3Confident40 Ų4038.5 Ų38.533%0.33124%0.236SC..THydrogen-bonded Turntrans-78.9-9.6175.900000113.9F240 V241 A281 C282 L283 G287F240-A285 HydrophobicContact CB-CB 3.69Å; V241-A285 HydrophobicContact CG2-CB 3.89Å; A281-A285 WeakPolarHBondContact O-CB 3.44Å; A281-A285 PolarHBondContact O-N 3.36Å; C282-A285 WeakPolarHBondContact O-CB 3.49Å; C282-A285 PolarHBondContact O-N 3.46Å; C282-A285 VanDerWaalsContact O-N 3.08Å; L283-A285 VanDerWaalsContact C-N 3.3Å; A285-G287 VanDerWaalsContact C-N 3.32Å
286G68.9Low73.2Confident70 Ų7038.3 Ų38.372%0.72224%0.235SC*.THydrogen-bonded Turntrans70.126.9-173.700000113.7C282 L283 S284C282-G286 PolarHBondContact O-N 3.19Å; L283-G286 PolarHBondContact O-N 3.34Å; S284-G286 VanDerWaalsContact C-N 3.31Å
287G59.8Low73Confident31 Ų3138.5 Ų38.532%0.3224%0.237SC..  trans-74.6-174.5-174.100000115.8C282 A285 T289 E292C282-G287 PolarHBondContact O-N 3.04Å; A285-G287 VanDerWaalsContact C-N 3.32Å; G287-T289 PolarHBondContact O-N 3.1Å; G287-E292 WeakPolarHBondContact CA-OE1 3.07Å
288K57.2Low73Confident186 Ų18642.1 Ų42.181%0.80925%0.252SS*.  trans-69.893.9-176.7-74.4-178.4-178.91750110.8A290 E292K288-A290 PolarHBondContact O-N 3.36Å; K288-E292 PolarHBondContact N-OE1 3.08Å
289T56.6Low73.1Confident59 Ų5940.5 Ų40.536%0.36225%0.246SC..THydrogen-bonded Turntrans-35.6-13.8179.958.80000121.4G287G287-T289 PolarHBondContact O-N 3.1Å
290A53.5Low73.1Confident64 Ų6440.9 Ų40.953%0.52925%0.248SC..THydrogen-bonded Turntrans-92.5-44.2-171.400000114.3K288 E292K288-A290 PolarHBondContact O-N 3.36Å; A290-E292 VanDerWaalsContact C-N 3.28Å
291E60.2Low73.2Confident156 Ų15646.2 Ų46.273%0.72927%0.273SS*.Hα-helixtrans-76.5-19.5179.1-65.8173.8-176.800111.8T294E291-T294 VanDerWaalsContact C-OG1 3.32Å; E291-T294 PolarHBondContact O-OG1 3.3Å
292E63.5Low73.4Confident16 Ų1648.8 Ų48.88%0.07529%0.286CS..Hα-helixtrans-81.2-28.4-173.6-54172.4171.200111.9A279 C282 G287 K288 A290A279-E292 WeakPolarHBondContact CB-O 3.33Å; C282-E292 HydrophobicContact CB-CB 4.05Å; C282-E292 HydrophobicContact CB-CG 3.43Å; C282-E292 VanDerWaalsContact CB-CG 3.43Å; C282-E292 WeakPolarHBondContact CB-OE1 3.49Å; G287-E292 WeakPolarHBondContact CA-OE1 3.07Å; K288-E292 PolarHBondContact N-OE1 3.08Å; A290-E292 VanDerWaalsContact C-N 3.28Å
293C62.3Low73.7Confident0 Ų050.3 Ų50.30%029%0.291CS..Hα-helixtrans-86.3-25.2176.6-72.60000112.7D295 L296 G297 L328C293-D295 VanDerWaalsContact C-N 3.27Å; C293-D295 PolarHBondContact O-N 2.93Å; C293-L296 PolarHBondContact O-N 2.87Å; C293-G297 PolarHBondContact O-N 3.39Å; C293-L328 HydrophobicContact CB-CD2 3.85Å
294T73.1Confident74Confident50 Ų5051.4 Ų51.431%0.30730%0.3SS..Hα-helixtrans-64-35.8171.748.50000111.3E291 L296 G297 E298E291-T294 VanDerWaalsContact C-OG1 3.32Å; E291-T294 PolarHBondContact O-OG1 3.3Å; T294-L296 PolarHBondContact O-N 3.38Å; T294-G297 CarbonylContact O-C 3.56Å; T294-G297 WeakPolarHBondContact O-CA 3.35Å; T294-G297 PolarHBondContact O-N 3.36Å; T294-G297 VanDerWaalsContact O-N 3.14Å; T294-E298 WeakPolarHBondContact O-CG 3.39Å; T294-E298 PolarHBondContact O-N 2.96Å
295D81.8Confident74.2Confident9 Ų952.7 Ų52.75%0.04831%0.313CS..Hα-helixtrans-61.7-41.7175.6-74.4-10.3000113.2L275 R278 A279 C293 A299L275-D295 HydrophobicContact CD2-CB 4.25Å; R278-D295 IonicContact CZ-OD1 3.64Å; R278-D295 IonicContact CZ-OD2 3.75Å; R278-D295 VanDerWaalsContact CZ-OD2 3.26Å; R278-D295 IonicContact NE-OD1 3.74Å; R278-D295 IonicContact NE-OD2 2.77Å; R278-D295 PolarHBondContact NE-OD2 3.27Å; R278-D295 IonicContact NH2-OD1 4Å; R278-D295 PolarHBondContact NH2-OD1 3.5Å; R278-D295 IonicContact NH2-OD2 3.28Å; R278-D295 PolarHBondContact NH2-OD2 3.19Å; R278-D295 VanDerWaalsContact NH2-OD2 3.11Å; A279-D295 HydrophobicContact CB-CB 4.06Å; C293-D295 VanDerWaalsContact C-N 3.27Å; C293-D295 PolarHBondContact O-N 2.93Å; D295-A299 VanDerWaalsContact O-CB 3.24Å; D295-A299 WeakPolarHBondContact O-CB 3.31Å; D295-A299 PolarHBondContact O-N 2.99Å
296L83.2Confident74.5Confident0 Ų051.7 Ų51.70%030%0.302CS..Hα-helixtrans-64.3-45.4173.1-69.5174.9000110.1T276 A279 L283 C293 T294 E298 A299 F300 F311 F315 A324 L328T276-L296 HydrophobicContact CG2-CD2 4.24Å; A279-L296 HydrophobicContact CB-CD1 4.25Å; A279-L296 HydrophobicContact CB-CD2 3.61Å; A279-L296 HydrophobicContact CB-CG 3.53Å; L283-L296 HydrophobicContact CD1-CD1 4.24Å; C293-L296 PolarHBondContact O-N 2.87Å; T294-L296 PolarHBondContact O-N 3.38Å; L296-E298 PolarHBondContact O-N 2.97Å; L296-A299 PolarHBondContact O-N 2.86Å; L296-F300 VanDerWaalsContact O-CD2 3.28Å; L296-F300 WeakPolarHBondContact O-CD2 3.44Å; L296-F300 PolarHBondContact O-N 3.21Å; L296-F300 VanDerWaalsContact O-N 3.08Å; L296-F311 HydrophobicContact CD1-CE2 4.19Å; L296-F311 HydrophobicContact CD2-CD2 4.12Å; L296-F315 HydrophobicContact CD2-CE2 4.48Å; L296-A324 HydrophobicContact CD1-CB 4.49Å; L296-L328 HydrophobicContact CD1-CD1 4.37Å
297G82.4Confident75.2Confident3 Ų348.3 Ų48.33%0.03127%0.268CS..Hα-helixtrans-44.7-62.7170.700000112.8C293 T294 A299 F300 E301C293-G297 PolarHBondContact O-N 3.39Å; T294-G297 CarbonylContact O-C 3.56Å; T294-G297 WeakPolarHBondContact O-CA 3.35Å; T294-G297 PolarHBondContact O-N 3.36Å; T294-G297 VanDerWaalsContact O-N 3.14Å; G297-A299 VanDerWaalsContact C-N 3.34Å; G297-A299 PolarHBondContact O-N 3.36Å; G297-F300 PolarHBondContact O-N 3.3Å; G297-E301 WeakPolarHBondContact O-CG 3.47Å; G297-E301 PolarHBondContact O-N 3.42Å
298E84.3Confident76.4Confident88 Ų8851.5 Ų51.541%0.41127%0.27SS..Hα-helixtrans-61.6-38.7-178.4-69.7-177.2-167.500112.6L275 T294 L296 F300 E301 I302L275-E298 HydrophobicContact CD1-CB 3.95Å; T294-E298 WeakPolarHBondContact O-CG 3.39Å; T294-E298 PolarHBondContact O-N 2.96Å; L296-E298 PolarHBondContact O-N 2.97Å; E298-F300 VanDerWaalsContact C-N 3.34Å; E298-F300 PolarHBondContact O-N 3.02Å; E298-E301 PolarHBondContact O-N 3.38Å; E298-I302 WeakPolarHBondContact O-CD1 3.36Å; E298-I302 VanDerWaalsContact O-CG1 3.23Å; E298-I302 WeakPolarHBondContact O-CG1 3.31Å; E298-I302 PolarHBondContact O-N 2.96Å
299A86.4Confident77.6Confident0 Ų045.7 Ų45.70%025%0.25CS..Hα-helixtrans-61-43.6178.100000112.1A272 L275 D295 L296 G297 H303 A307A272-A299 HydrophobicContact CB-CB 4.5Å; L275-A299 HydrophobicContact CB-CB 3.82Å; L275-A299 HydrophobicContact CD1-CB 4.48Å; D295-A299 VanDerWaalsContact O-CB 3.24Å; D295-A299 WeakPolarHBondContact O-CB 3.31Å; D295-A299 PolarHBondContact O-N 2.99Å; L296-A299 PolarHBondContact O-N 2.86Å; G297-A299 VanDerWaalsContact C-N 3.34Å; G297-A299 PolarHBondContact O-N 3.36Å; A299-H303 PolarHBondContact O-N 3.31Å; A299-A307 HydrophobicContact CB-CB 4.04Å
300F85.4Confident78.7Confident7 Ų744 Ų443%0.03124%0.237CC..Hα-helixtrans-73.4-28.8178.9-85.1-84.6000112.8L296 G297 E298 P304 A307 R308 F311 T367 H370 L371L296-F300 VanDerWaalsContact O-CD2 3.28Å; L296-F300 WeakPolarHBondContact O-CD2 3.44Å; L296-F300 PolarHBondContact O-N 3.21Å; L296-F300 VanDerWaalsContact O-N 3.08Å; G297-F300 PolarHBondContact O-N 3.3Å; E298-F300 VanDerWaalsContact C-N 3.34Å; E298-F300 PolarHBondContact O-N 3.02Å; F300-P304 HydrophobicContact CD1-CB 4.13Å; F300-P304 WeakPolarHBondContact O-CB 3.47Å; F300-P304 WeakPolarHBondContact O-CD 3.38Å; F300-A307 HydrophobicContact CD1-CB 3.96Å; F300-A307 HydrophobicContact CD2-CB 3.84Å; F300-A307 HydrophobicContact CE1-CB 3.98Å; F300-A307 HydrophobicContact CE2-CB 3.85Å; F300-A307 HydrophobicContact CG-CB 3.88Å; F300-A307 HydrophobicContact CZ-CB 3.9Å; F300-R308 HydrophobicContact CE1-CB 3.96Å; F300-R308 HydrophobicContact CZ-CB 4.36Å; F300-F311 HydrophobicContact CZ-CB 4.33Å; F300-T367 HydrophobicContact CB-CG2 3.56Å; F300-T367 HydrophobicContact CD2-CG2 3.94Å; F300-T367 HydrophobicContact CG-CG2 3.95Å; F300-H370 HydrophobicContact CD1-CB 3.74Å; F300-H370 HydrophobicContact CE1-CB 3.8Å; F300-L371 HydrophobicContact CE1-CD2 4.2Å; F300-L371 HydrophobicContact CE2-CD2 4.06Å; F300-L371 HydrophobicContact CE2-CG 4.39Å; F300-L371 HydrophobicContact CZ-CD2 3.42Å; F300-L371 VanDerWaalsContact CZ-CD2 3.42Å; F300-L371 HydrophobicContact CZ-CG 3.96Å
301E84.2Confident80.1Confident112 Ų11241.3 Ų41.352%0.52321%0.214SC..Hα-helixtrans-70-40171.7-72.3-174.2166.200112.5G297 E298 A363G297-E301 WeakPolarHBondContact O-CG 3.47Å; G297-E301 PolarHBondContact O-N 3.42Å; E298-E301 PolarHBondContact O-N 3.38Å; E301-A363 VanDerWaalsContact OE1-CB 3.27Å; E301-A363 WeakPolarHBondContact OE1-CB 3.29Å
302I85.3Confident81.1Confident55 Ų5540.2 Ų40.228%0.28221%0.206SC..Hα-helixtrans-72.5-51.7-179.2-66.2160.9000111.4P268 K271 A272 L275 E298P268-I302 HydrophobicContact CB-CG2 3.53Å; P268-I302 VanDerWaalsContact O-CG2 3.29Å; P268-I302 WeakPolarHBondContact O-CG2 3.3Å; K271-I302 HydrophobicContact CD-CD1 3.77Å; K271-I302 HydrophobicContact CG-CD1 3.97Å; A272-I302 HydrophobicContact CB-CB 4.5Å; A272-I302 HydrophobicContact CB-CG2 4.41Å; L275-I302 HydrophobicContact CD1-CD1 3.75Å; E298-I302 WeakPolarHBondContact O-CD1 3.36Å; E298-I302 VanDerWaalsContact O-CG1 3.23Å; E298-I302 WeakPolarHBondContact O-CG1 3.31Å; E298-I302 PolarHBondContact O-N 2.96Å
303H86.1Confident81.7Confident51 Ų5143 Ų4324%0.23622%0.218CC..  trans-153.690.7-179.9-160.2-94.9000112.5A272 A299 A305 T306 A307A272-H303 HydrophobicContact CB-CB 3.87Å; A299-H303 PolarHBondContact O-N 3.31Å; H303-A305 VanDerWaalsContact C-N 3.32Å; H303-A305 PolarHBondContact O-N 2.92Å; H303-T306 PolarHBondContact CE1-OG1 3.5Å; H303-T306 VanDerWaalsContact CE1-OG1 3.31Å; H303-T306 VanDerWaalsContact ND1-CB 3.35Å; H303-T306 WeakPolarHBondContact ND1-CB 3.27Å; H303-T306 PolarHBondContact ND1-N 3.34Å; H303-T306 VanDerWaalsContact ND1-N 3.19Å; H303-T306 PolarHBondContact ND1-OG1 3.03Å; H303-T306 PolarHBondContact O-N 2.93Å; H303-A307 PolarHBondContact O-N 3.46Å
304P84.8Confident82.4Confident50 Ų5044.2 Ų44.233%0.32523%0.225SC..Hα-helixtrans-65.9-32.1-170.423.8-32.9000113.2F300 R308F300-P304 HydrophobicContact CD1-CB 4.13Å; F300-P304 WeakPolarHBondContact O-CB 3.47Å; F300-P304 WeakPolarHBondContact O-CD 3.38Å; P304-R308 WeakPolarHBondContact O-CB 3.38Å; P304-R308 PolarHBondContact O-N 2.7Å
305A82.6Confident82.5Confident60 Ų6042.6 Ų42.650%0.49621%0.213SC..Hα-helixtrans-64.6-46.3178.300000111.3H303 T309H303-A305 VanDerWaalsContact C-N 3.32Å; H303-A305 PolarHBondContact O-N 2.92Å; A305-T309 VanDerWaalsContact O-CG2 3.3Å; A305-T309 WeakPolarHBondContact O-CG2 3.4Å; A305-T309 PolarHBondContact O-N 3.07Å; A305-T309 VanDerWaalsContact O-N 3.11Å
306T82.7Confident81.8Confident18 Ų1846.3 Ų46.311%0.1124%0.237CC..Hα-helixtrans-67.3-50.8178.1-58.90000110.1R273 H303 R308 T309 Y310R273-T306 HydrophobicContact CB-CG2 4.33Å; H303-T306 PolarHBondContact CE1-OG1 3.5Å; H303-T306 VanDerWaalsContact CE1-OG1 3.31Å; H303-T306 VanDerWaalsContact ND1-CB 3.35Å; H303-T306 WeakPolarHBondContact ND1-CB 3.27Å; H303-T306 PolarHBondContact ND1-N 3.34Å; H303-T306 VanDerWaalsContact ND1-N 3.19Å; H303-T306 PolarHBondContact ND1-OG1 3.03Å; H303-T306 PolarHBondContact O-N 2.93Å; T306-R308 VanDerWaalsContact C-N 3.28Å; T306-R308 PolarHBondContact O-N 3.44Å; T306-T309 PolarHBondContact O-N 3.3Å; T306-T309 PolarHBondContact O-OG1 2.99Å; T306-Y310 HydrophobicContact CG2-CD2 3.69Å; T306-Y310 HydrophobicContact CG2-CE2 3.73Å; T306-Y310 WeakPolarHBondContact O-CD2 3.15Å; T306-Y310 PolarHBondContact O-N 3.11Å
307A84.9Confident80.9Confident0 Ų051.6 Ų51.60%027%0.265CS..Hα-helixtrans-54.2-43.8177.800000112.1A299 F300 H303 T309 Y310 F311A299-A307 HydrophobicContact CB-CB 4.04Å; F300-A307 HydrophobicContact CD1-CB 3.96Å; F300-A307 HydrophobicContact CD2-CB 3.84Å; F300-A307 HydrophobicContact CE1-CB 3.98Å; F300-A307 HydrophobicContact CE2-CB 3.85Å; F300-A307 HydrophobicContact CG-CB 3.88Å; F300-A307 HydrophobicContact CZ-CB 3.9Å; H303-A307 PolarHBondContact O-N 3.46Å; A307-T309 PolarHBondContact O-N 3.49Å; A307-Y310 PolarHBondContact O-N 3.41Å; A307-F311 VanDerWaalsContact O-CB 3.23Å; A307-F311 WeakPolarHBondContact O-CB 3.31Å; A307-F311 PolarHBondContact O-N 3.41Å
308R83.7Confident79.6Confident98 Ų9861.7 Ų61.737%0.3730%0.304SS..Hα-helixtrans-62-43.2176.3-168.6-179.7-168.6-162.13.5112.9F300 P304 T306 K312 H370F300-R308 HydrophobicContact CE1-CB 3.96Å; F300-R308 HydrophobicContact CZ-CB 4.36Å; P304-R308 WeakPolarHBondContact O-CB 3.38Å; P304-R308 PolarHBondContact O-N 2.7Å; T306-R308 VanDerWaalsContact C-N 3.28Å; T306-R308 PolarHBondContact O-N 3.44Å; R308-K312 WeakPolarHBondContact O-CG 3.39Å; R308-K312 PolarHBondContact O-N 3.23Å; R308-K312 VanDerWaalsContact O-N 3.07Å; R308-H370 PolarHBondContact NE-O 3.29Å; R308-H370 VanDerWaalsContact NE-O 3.09Å
309T82.9Confident78.7Confident63 Ų6359.9 Ų59.939%0.38731%0.309SS..Hα-helixtrans-65.3-40.6179.362.10000111.9A305 T306 A307 K313A305-T309 VanDerWaalsContact O-CG2 3.3Å; A305-T309 WeakPolarHBondContact O-CG2 3.4Å; A305-T309 PolarHBondContact O-N 3.07Å; A305-T309 VanDerWaalsContact O-N 3.11Å; T306-T309 PolarHBondContact O-N 3.3Å; T306-T309 PolarHBondContact O-OG1 2.99Å; A307-T309 PolarHBondContact O-N 3.49Å; T309-K313 WeakPolarHBondContact O-CD 3.36Å; T309-K313 VanDerWaalsContact O-CG 3.23Å; T309-K313 WeakPolarHBondContact O-CG 3.22Å; T309-K313 PolarHBondContact O-N 2.96Å
310Y79.1Confident78.1Confident25 Ų2561.4 Ų61.410%0.09832%0.318CS..Hα-helixtrans-74.6-37.8178.2-81.3-91.3000111.7V201 R273 T306 A307 K312 K313 L314V201-Y310 HydrophobicContact CG2-CE1 4.36Å; R273-Y310 HydrophobicContact CB-CD2 4.47Å; R273-Y310 HydrophobicContact CB-CE2 4.28Å; R273-Y310 WeakPolarHBondContact CD-OH 3.46Å; R273-Y310 HydrophobicContact CG-CD1 4.01Å; R273-Y310 HydrophobicContact CG-CD2 4.31Å; R273-Y310 HydrophobicContact CG-CE1 3.64Å; R273-Y310 HydrophobicContact CG-CE2 3.98Å; R273-Y310 HydrophobicContact CG-CG 4.33Å; T306-Y310 HydrophobicContact CG2-CD2 3.69Å; T306-Y310 HydrophobicContact CG2-CE2 3.73Å; T306-Y310 WeakPolarHBondContact O-CD2 3.15Å; T306-Y310 PolarHBondContact O-N 3.11Å; A307-Y310 PolarHBondContact O-N 3.41Å; Y310-K312 PolarHBondContact O-N 2.96Å; Y310-K313 PolarHBondContact O-N 3.48Å; Y310-L314 WeakPolarHBondContact O-CB 3.46Å; Y310-L314 WeakPolarHBondContact O-CG 3.19Å; Y310-L314 PolarHBondContact O-N 3.46Å
311F83.9Confident77.6Confident7 Ų761.4 Ų61.43%0.03132%0.32CS..Hα-helixtrans-58.3-47.2174.4-172.8-82.3000111.3T276 L296 F300 A307 K313 L314 F315 A324 L371T276-F311 HydrophobicContact CG2-CB 4.41Å; L296-F311 HydrophobicContact CD1-CE2 4.19Å; L296-F311 HydrophobicContact CD2-CD2 4.12Å; F300-F311 HydrophobicContact CZ-CB 4.33Å; A307-F311 VanDerWaalsContact O-CB 3.23Å; A307-F311 WeakPolarHBondContact O-CB 3.31Å; A307-F311 PolarHBondContact O-N 3.41Å; F311-K313 PolarHBondContact O-N 2.95Å; F311-L314 PolarHBondContact O-N 2.93Å; F311-F315 HydrophobicContact CB-CD2 4.4Å; F311-F315 HydrophobicContact CD1-CB 4.48Å; F311-F315 HydrophobicContact CD1-CD2 4.29Å; F311-F315 AromaticContact CD2-CD2 3.54Å; F311-F315 HydrophobicContact CD2-CD2 3.54Å; F311-F315 AromaticContact CD2-CE2 3.57Å; F311-F315 HydrophobicContact CD2-CE2 3.57Å; F311-F315 HydrophobicContact CD2-CG 4.26Å; F311-F315 HydrophobicContact CD2-CZ 4.32Å; F311-F315 HydrophobicContact CE1-CB 4.25Å; F311-F315 HydrophobicContact CE1-CD2 4.48Å; F311-F315 HydrophobicContact CE1-CG 4.42Å; F311-F315 HydrophobicContact CE2-CD1 4.41Å; F311-F315 AromaticContact CE2-CD2 3.76Å; F311-F315 HydrophobicContact CE2-CD2 3.76Å; F311-F315 HydrophobicContact CE2-CE1 4.47Å; F311-F315 AromaticContact CE2-CE2 3.83Å; F311-F315 HydrophobicContact CE2-CE2 3.83Å; F311-F315 HydrophobicContact CE2-CG 4.06Å; F311-F315 HydrophobicContact CE2-CZ 4.18Å; F311-F315 AromaticContact CG-CD2 3.83Å; F311-F315 HydrophobicContact CG-CD2 3.83Å; F311-F315 HydrophobicContact CG-CE2 4.26Å; F311-F315 HydrophobicContact CZ-CB 4.38Å; F311-F315 HydrophobicContact CZ-CD2 4.24Å; F311-F315 HydrophobicContact CZ-CG 4.14Å; F311-F315 WeakPolarHBondContact O-CB 3.3Å; F311-F315 WeakPolarHBondContact O-CD2 3.45Å; F311-F315 PolarHBondContact O-N 3.35Å; F311-F315 VanDerWaalsContact O-N 3.07Å; F311-A324 HydrophobicContact CE2-CB 4.17Å; F311-A324 HydrophobicContact CZ-CB 4.19Å; F311-L371 HydrophobicContact CB-CD2 4.02Å; F311-L371 HydrophobicContact CD1-CD2 3.27Å; F311-L371 HydrophobicContact CD1-CG 4.48Å; F311-L371 HydrophobicContact CD2-CD1 4.35Å; F311-L371 HydrophobicContact CD2-CD2 3.93Å; F311-L371 HydrophobicContact CE1-CD1 4.08Å; F311-L371 HydrophobicContact CE1-CD2 3.61Å; F311-L371 HydrophobicContact CE1-CG 4.41Å; F311-L371 HydrophobicContact CE2-CD1 3.92Å; F311-L371 HydrophobicContact CE2-CD2 4.21Å; F311-L371 HydrophobicContact CG-CD2 3.45Å; F311-L371 VanDerWaalsContact CG-CD2 3.45Å; F311-L371 HydrophobicContact CZ-CD1 3.76Å; F311-L371 HydrophobicContact CZ-CD2 4.07Å
312K80.9Confident77.3Confident132 Ų13259.1 Ų59.157%0.57431%0.314SS*.Hα-helixtrans-61-27.7176.6-75.1-178.1177.6-174.70113.7R308 Y310R308-K312 WeakPolarHBondContact O-CG 3.39Å; R308-K312 PolarHBondContact O-N 3.23Å; R308-K312 VanDerWaalsContact O-N 3.07Å; Y310-K312 PolarHBondContact O-N 2.96Å
313K76.8Confident77Confident75 Ų7558.2 Ų58.233%0.32631%0.314SS..Hα-helixtrans-89.3-34.8-177.1-70.7168.7-173.1169.40113.5V201 T309 Y310 F311 T316V201-K313 HydrophobicContact CG1-CD 3.98Å; V201-K313 HydrophobicContact CG2-CD 4.39Å; V201-K313 VanDerWaalsContact CG2-NZ 3.31Å; T309-K313 WeakPolarHBondContact O-CD 3.36Å; T309-K313 VanDerWaalsContact O-CG 3.23Å; T309-K313 WeakPolarHBondContact O-CG 3.22Å; T309-K313 PolarHBondContact O-N 2.96Å; Y310-K313 PolarHBondContact O-N 3.48Å; F311-K313 PolarHBondContact O-N 2.95Å; K313-T316 VanDerWaalsContact O-CG2 3.3Å; K313-T316 WeakPolarHBondContact O-CG2 3.47Å
314L75.6Confident76.7Confident25 Ų2555.8 Ų55.813%0.13130%0.303CS..Hα-helixtrans-91.1-26.8-175.3-65.4172.4000112.7F235 T276 C277 A280 Y310 F311F235-L314 HydrophobicContact CE1-CD2 4.04Å; F235-L314 HydrophobicContact CZ-CD2 4.49Å; T276-L314 HydrophobicContact CG2-CD1 4.44Å; C277-L314 HydrophobicContact CB-CD1 4.4Å; A280-L314 HydrophobicContact CB-CB 3.9Å; A280-L314 HydrophobicContact CB-CD1 3.99Å; Y310-L314 WeakPolarHBondContact O-CB 3.46Å; Y310-L314 WeakPolarHBondContact O-CG 3.19Å; Y310-L314 PolarHBondContact O-N 3.46Å; F311-L314 PolarHBondContact O-N 2.93Å
315F75.7Confident76.6Confident16 Ų1657.7 Ų57.77%0.0730%0.303CS..  trans-103.942.9-179.7-63.1-93.6000111.6A280 L283 L296 F311 D317 A324A280-F315 VanDerWaalsContact CA-CZ 3.5Å; A280-F315 HydrophobicContact CB-CE1 4.4Å; A280-F315 HydrophobicContact CB-CE2 3.76Å; A280-F315 HydrophobicContact CB-CZ 3.7Å; L283-F315 HydrophobicContact CB-CE1 4.44Å; L283-F315 HydrophobicContact CD1-CE1 3.65Å; L283-F315 HydrophobicContact CD1-CZ 3.94Å; L296-F315 HydrophobicContact CD2-CE2 4.48Å; F311-F315 HydrophobicContact CB-CD2 4.4Å; F311-F315 HydrophobicContact CD1-CB 4.48Å; F311-F315 HydrophobicContact CD1-CD2 4.29Å; F311-F315 AromaticContact CD2-CD2 3.54Å; F311-F315 HydrophobicContact CD2-CD2 3.54Å; F311-F315 AromaticContact CD2-CE2 3.57Å; F311-F315 HydrophobicContact CD2-CE2 3.57Å; F311-F315 HydrophobicContact CD2-CG 4.26Å; F311-F315 HydrophobicContact CD2-CZ 4.32Å; F311-F315 HydrophobicContact CE1-CB 4.25Å; F311-F315 HydrophobicContact CE1-CD2 4.48Å; F311-F315 HydrophobicContact CE1-CG 4.42Å; F311-F315 HydrophobicContact CE2-CD1 4.41Å; F311-F315 AromaticContact CE2-CD2 3.76Å; F311-F315 HydrophobicContact CE2-CD2 3.76Å; F311-F315 HydrophobicContact CE2-CE1 4.47Å; F311-F315 AromaticContact CE2-CE2 3.83Å; F311-F315 HydrophobicContact CE2-CE2 3.83Å; F311-F315 HydrophobicContact CE2-CG 4.06Å; F311-F315 HydrophobicContact CE2-CZ 4.18Å; F311-F315 AromaticContact CG-CD2 3.83Å; F311-F315 HydrophobicContact CG-CD2 3.83Å; F311-F315 HydrophobicContact CG-CE2 4.26Å; F311-F315 HydrophobicContact CZ-CB 4.38Å; F311-F315 HydrophobicContact CZ-CD2 4.24Å; F311-F315 HydrophobicContact CZ-CG 4.14Å; F311-F315 WeakPolarHBondContact O-CB 3.3Å; F311-F315 WeakPolarHBondContact O-CD2 3.45Å; F311-F315 PolarHBondContact O-N 3.35Å; F311-F315 VanDerWaalsContact O-N 3.07Å; F315-D317 VanDerWaalsContact C-N 3.31Å; F315-A324 HydrophobicContact CD1-CB 4.21Å; F315-A324 HydrophobicContact CE1-CB 3.94Å
316T66.8Low76.6Confident88 Ų8859 Ų5954%0.5430%0.302SS..  trans-71.2-24.8-178.946.90000113.2K313 Y318K313-T316 VanDerWaalsContact O-CG2 3.3Å; K313-T316 WeakPolarHBondContact O-CG2 3.47Å; T316-Y318 PolarHBondContact O-N 3.2Å
317D64.4Low76.6Confident110 Ų11060.5 Ų60.559%0.58831%0.308SS*.SBendtrans-72.9121.2174.4-64.3-22.7000109.1F315 G319 T320 G321F315-D317 VanDerWaalsContact C-N 3.31Å; D317-G319 PolarHBondContact O-N 3.08Å; D317-T320 PolarHBondContact O-N 2.76Å; D317-T320 VanDerWaalsContact O-N 3.07Å; D317-T320 PolarHBondContact O-OG1 2.97Å; D317-G321 PolarHBondContact O-N 3.29Å
318Y55.2Low76.5Confident216 Ų21660.5 Ų60.585%0.84731%0.308SS*.Hα-helixtrans-53.3-23.6-177.3-80.8-88000113.4T316 T322T316-Y318 PolarHBondContact O-N 3.2Å; Y318-T322 WeakPolarHBondContact O-CB 3.42Å; Y318-T322 WeakPolarHBondContact O-CG2 3.13Å; Y318-T322 PolarHBondContact O-OG1 2.84Å
319G66.5Low76.6Confident50 Ų5058.4 Ų58.452%0.51530%0.304SS..Hα-helixtrans-78.3-42.2176.600000115.1D317 T322 A323D317-G319 PolarHBondContact O-N 3.08Å; G319-T322 PolarHBondContact O-OG1 2.96Å; G319-T322 VanDerWaalsContact O-OG1 3.05Å; G319-A323 VanDerWaalsContact O-CB 3.23Å; G319-A323 WeakPolarHBondContact O-CB 3.46Å; G319-A323 PolarHBondContact O-N 3.01Å
320T72.4Confident76.8Confident31 Ų3159.1 Ų59.119%0.1930%0.303CS..Hα-helixtrans-78.9-38.6-173.955.70000112D317 A323 A324D317-T320 PolarHBondContact O-N 2.76Å; D317-T320 VanDerWaalsContact O-N 3.07Å; D317-T320 PolarHBondContact O-OG1 2.97Å; T320-A323 PolarHBondContact O-N 3.04Å; T320-A324 WeakPolarHBondContact O-CB 3.22Å; T320-A324 PolarHBondContact O-N 3.11Å
321G75.9Confident77Confident7 Ų759.8 Ų59.87%0.07231%0.307CS..Hα-helixtrans-67.8-35175.900000113.4D317 R325D317-G321 PolarHBondContact O-N 3.29Å; G321-R325 WeakPolarHBondContact O-CG 3.45Å; G321-R325 PolarHBondContact O-N 3.37Å
322T78Confident77.2Confident65 Ų6559.7 Ų59.740%0.39931%0.307SS..Hα-helixtrans-73.6-39.7173.653.70000111.6Y318 G319 R325 N326Y318-T322 WeakPolarHBondContact O-CB 3.42Å; Y318-T322 WeakPolarHBondContact O-CG2 3.13Å; Y318-T322 PolarHBondContact O-OG1 2.84Å; G319-T322 PolarHBondContact O-OG1 2.96Å; G319-T322 VanDerWaalsContact O-OG1 3.05Å; T322-R325 PolarHBondContact O-N 3.42Å; T322-N326 WeakPolarHBondContact O-CB 3.24Å; T322-N326 VanDerWaalsContact O-CG 3.24Å; T322-N326 PolarHBondContact O-N 3.17Å; T322-N326 PolarHBondContact O-ND2 3.19Å
323A77.3Confident77.5Confident35 Ų3557.9 Ų57.929%0.28930%0.301SS..Hα-helixtrans-57.8-47.8171.800000111.6G319 T320 R325 N326 H327G319-A323 VanDerWaalsContact O-CB 3.23Å; G319-A323 WeakPolarHBondContact O-CB 3.46Å; G319-A323 PolarHBondContact O-N 3.01Å; T320-A323 PolarHBondContact O-N 3.04Å; A323-R325 PolarHBondContact O-N 2.95Å; A323-N326 PolarHBondContact O-N 3.44Å; A323-H327 WeakPolarHBondContact O-CB 3.46Å; A323-H327 PolarHBondContact O-CD2 2.86Å; A323-H327 PolarHBondContact O-N 2.96Å
324A79.8Confident78Confident0 Ų061.7 Ų61.70%031%0.313CS..Hα-helixtrans-57.2-45.6177.700000112.5L283 L296 F311 F315 T320 H327 L328L283-A324 HydrophobicContact CD1-CB 3.79Å; L296-A324 HydrophobicContact CD1-CB 4.49Å; F311-A324 HydrophobicContact CE2-CB 4.17Å; F311-A324 HydrophobicContact CZ-CB 4.19Å; F315-A324 HydrophobicContact CD1-CB 4.21Å; F315-A324 HydrophobicContact CE1-CB 3.94Å; T320-A324 WeakPolarHBondContact O-CB 3.22Å; T320-A324 PolarHBondContact O-N 3.11Å; A324-H327 PolarHBondContact O-N 3.1Å; A324-L328 WeakPolarHBondContact O-CG 3.36Å; A324-L328 PolarHBondContact O-N 3.39Å
325R83Confident78.6Confident90 Ų9061.6 Ų61.634%0.3432%0.318SS..Hα-helixtrans-63.8-43.6176.2-71.3175.4-177.5155.6-0.4112.2G321 T322 A323 H327 L328 L329 L368 L371G321-R325 WeakPolarHBondContact O-CG 3.45Å; G321-R325 PolarHBondContact O-N 3.37Å; T322-R325 PolarHBondContact O-N 3.42Å; A323-R325 PolarHBondContact O-N 2.95Å; R325-H327 VanDerWaalsContact C-N 3.31Å; R325-H327 PolarHBondContact O-N 2.78Å; R325-L328 PolarHBondContact O-N 3.36Å; R325-L329 WeakPolarHBondContact O-CG 3.26Å; R325-L329 PolarHBondContact O-N 2.89Å; R325-L368 HydrophobicContact CB-CD2 4.05Å; R325-L368 HydrophobicContact CG-CD2 4.11Å; R325-L371 HydrophobicContact CG-CD1 4.46Å
326N82.9Confident79.2Confident87 Ų8762.3 Ų62.347%0.46532%0.322SS..Hα-helixtrans-64-37.6177.1-71.8-19000111.8T322 A323 L329 Q330T322-N326 WeakPolarHBondContact O-CB 3.24Å; T322-N326 VanDerWaalsContact O-CG 3.24Å; T322-N326 PolarHBondContact O-N 3.17Å; T322-N326 PolarHBondContact O-ND2 3.19Å; A323-N326 PolarHBondContact O-N 3.44Å; N326-L329 PolarHBondContact O-N 3.43Å; N326-Q330 WeakPolarHBondContact O-CB 3.42Å; N326-Q330 VanDerWaalsContact O-CG 3.26Å; N326-Q330 WeakPolarHBondContact O-CG 3.2Å; N326-Q330 PolarHBondContact O-N 2.93Å
327H82.2Confident80.3Confident50 Ų5060.7 Ų60.723%0.23131%0.314CS..Hα-helixtrans-66.9-44.6175.7-74.4-57.9000112.2A323 A324 R325 L329 Q330 Q331A323-H327 WeakPolarHBondContact O-CB 3.46Å; A323-H327 PolarHBondContact O-CD2 2.86Å; A323-H327 PolarHBondContact O-N 2.96Å; A324-H327 PolarHBondContact O-N 3.1Å; R325-H327 VanDerWaalsContact C-N 3.31Å; R325-H327 PolarHBondContact O-N 2.78Å; H327-L329 VanDerWaalsContact C-N 3.3Å; H327-L329 PolarHBondContact O-N 3.47Å; H327-Q330 PolarHBondContact O-N 3.02Å; H327-Q331 WeakPolarHBondContact O-CB 3.23Å; H327-Q331 PolarHBondContact O-N 2.79Å
328L84.2Confident81.5Confident0 Ų056.6 Ų56.60%030%0.299CS..Hα-helixtrans-60.2-40.5174-71.2164.7000111.7C293 L296 A324 R325 Q331 A332 L368 L371C293-L328 HydrophobicContact CB-CD2 3.85Å; L296-L328 HydrophobicContact CD1-CD1 4.37Å; A324-L328 WeakPolarHBondContact O-CG 3.36Å; A324-L328 PolarHBondContact O-N 3.39Å; R325-L328 PolarHBondContact O-N 3.36Å; L328-Q331 PolarHBondContact O-N 3.1Å; L328-A332 WeakPolarHBondContact O-CB 3.35Å; L328-A332 PolarHBondContact O-N 3.4Å; L328-L368 HydrophobicContact CB-CD1 4.07Å; L328-L368 HydrophobicContact CB-CD2 3.98Å; L328-L368 HydrophobicContact CB-CG 4.01Å; L328-L368 HydrophobicContact CD1-CD2 4.16Å; L328-L368 HydrophobicContact CD1-CG 4.43Å; L328-L371 HydrophobicContact CD1-CD1 4.36Å
329L85.9Confident83.2Confident54 Ų5446.5 Ų46.528%0.28326%0.259SS..Hα-helixtrans-63-47.7173.7-76.2169.6000111.8R325 N326 H327 Q331 A332 E333 L368 L380R325-L329 WeakPolarHBondContact O-CG 3.26Å; R325-L329 PolarHBondContact O-N 2.89Å; N326-L329 PolarHBondContact O-N 3.43Å; H327-L329 VanDerWaalsContact C-N 3.3Å; H327-L329 PolarHBondContact O-N 3.47Å; L329-Q331 VanDerWaalsContact C-N 3.33Å; L329-Q331 PolarHBondContact O-N 3.06Å; L329-A332 PolarHBondContact O-N 3.26Å; L329-E333 WeakPolarHBondContact O-CB 3.37Å; L329-E333 WeakPolarHBondContact O-CG 3.48Å; L329-E333 PolarHBondContact O-N 3.27Å; L329-L368 HydrophobicContact CD2-CD1 3.53Å; L329-L368 HydrophobicContact CG-CD1 3.7Å; L329-L368 HydrophobicContact CG-CD2 4.46Å; L329-L380 HydrophobicContact CD2-CD1 4.38Å
330Q85.6Confident84.4Confident78 Ų7847.7 Ų47.736%0.36425%0.25SS..Hα-helixtrans-63.2-38.3177.9-75176.312.900112.2N326 H327 E333 R334N326-Q330 WeakPolarHBondContact O-CB 3.42Å; N326-Q330 VanDerWaalsContact O-CG 3.26Å; N326-Q330 WeakPolarHBondContact O-CG 3.2Å; N326-Q330 PolarHBondContact O-N 2.93Å; H327-Q330 PolarHBondContact O-N 3.02Å; Q330-E333 PolarHBondContact O-N 2.94Å; Q330-R334 WeakPolarHBondContact O-CB 3.42Å; Q330-R334 VanDerWaalsContact O-CG 3.23Å; Q330-R334 WeakPolarHBondContact O-CG 3.31Å; Q330-R334 PolarHBondContact O-N 2.89Å
331Q84.5Confident85.2Confident39 Ų3952.4 Ų52.418%0.18227%0.27CS..Hα-helixtrans-65.6-44.8175.8-177.21772.600111H327 L328 L329 E333 R334 G335H327-Q331 WeakPolarHBondContact O-CB 3.23Å; H327-Q331 PolarHBondContact O-N 2.79Å; L328-Q331 PolarHBondContact O-N 3.1Å; L329-Q331 VanDerWaalsContact C-N 3.33Å; L329-Q331 PolarHBondContact O-N 3.06Å; Q331-E333 VanDerWaalsContact C-N 3.34Å; Q331-E333 PolarHBondContact O-N 3.35Å; Q331-R334 PolarHBondContact O-N 3.04Å; Q331-G335 PolarHBondContact O-N 3.09Å
332A87.2Confident85.8Confident5 Ų558.9 Ų58.94%0.04129%0.292CS..Hα-helixtrans-60.7-43.2175.100000111.6L328 L329 L336 V361 L365L328-A332 WeakPolarHBondContact O-CB 3.35Å; L328-A332 PolarHBondContact O-N 3.4Å; L329-A332 PolarHBondContact O-N 3.26Å; A332-L336 VanDerWaalsContact O-CB 3.26Å; A332-L336 WeakPolarHBondContact O-CB 3.33Å; A332-L336 PolarHBondContact O-N 3.48Å; A332-V361 HydrophobicContact CB-CG1 4.08Å; A332-L365 HydrophobicContact CB-CD2 4.02Å; A332-L365 HydrophobicContact CB-CG 4.08Å
333E87.6Confident86.3Confident95 Ų9555.8 Ų55.844%0.44427%0.273SS..Hα-helixtrans-66.4-45.2178-74.4-180170.500112.7L329 Q330 Q331 L336 S337 R383L329-E333 WeakPolarHBondContact O-CB 3.37Å; L329-E333 WeakPolarHBondContact O-CG 3.48Å; L329-E333 PolarHBondContact O-N 3.27Å; Q330-E333 PolarHBondContact O-N 2.94Å; Q331-E333 VanDerWaalsContact C-N 3.34Å; Q331-E333 PolarHBondContact O-N 3.35Å; E333-L336 PolarHBondContact O-N 3.47Å; E333-S337 PolarHBondContact O-N 3.06Å; E333-S337 PolarHBondContact O-OG 3.27Å; E333-R383 IonicContact OE1-CZ 3.81Å; E333-R383 IonicContact OE1-NH1 3.05Å; E333-R383 PolarHBondContact OE1-NH1 3.42Å; E333-R383 IonicContact OE1-NH2 3.26Å
334R87.3Confident86.7Confident155 Ų15557 Ų5759%0.58527%0.274SS*.Hα-helixtrans-64.2-40.6175.7-72.6176.7-162.6159.78.3112.1Q330 Q331 S337 G338Q330-R334 WeakPolarHBondContact O-CB 3.42Å; Q330-R334 VanDerWaalsContact O-CG 3.23Å; Q330-R334 WeakPolarHBondContact O-CG 3.31Å; Q330-R334 PolarHBondContact O-N 2.89Å; Q331-R334 PolarHBondContact O-N 3.04Å; R334-S337 WeakPolarHBondContact CA-OG 3.38Å; R334-S337 PolarHBondContact O-N 3.42Å; R334-S337 PolarHBondContact O-OG 2.91Å; R334-G338 PolarHBondContact O-N 2.96Å
335G87.9Confident87Confident22 Ų2262.9 Ų62.923%0.22731%0.31CS..Hα-helixtrans-65.7-41.4176.200000111.6Q331 G338 F339Q331-G335 PolarHBondContact O-N 3.09Å; G335-G338 PolarHBondContact O-N 2.9Å; G335-F339 WeakPolarHBondContact O-CB 3.5Å; G335-F339 PolarHBondContact O-N 3.42Å
336L88.9Confident87.1Confident31 Ų3159.5 Ų59.516%0.16230%0.297CS..Hα-helixtrans-67.9-38.2176.4-173.964.7000112.5A332 E333 F339 K340 L358A332-L336 VanDerWaalsContact O-CB 3.26Å; A332-L336 WeakPolarHBondContact O-CB 3.33Å; A332-L336 PolarHBondContact O-N 3.48Å; E333-L336 PolarHBondContact O-N 3.47Å; L336-F339 HydrophobicContact CD1-CD1 4.43Å; L336-F339 PolarHBondContact O-N 2.96Å; L336-K340 WeakPolarHBondContact O-CG 3.41Å; L336-K340 PolarHBondContact O-N 3.23Å; L336-K340 VanDerWaalsContact O-N 3.08Å; L336-L358 HydrophobicContact CD1-CD2 4.2Å
337S89.7Confident86.8Confident54 Ų5459.1 Ų59.138%0.37831%0.307SS..Hα-helixtrans-66.9-46.1174.2670000111.1E333 R334 F339 K340 E341E333-S337 PolarHBondContact O-N 3.06Å; E333-S337 PolarHBondContact O-OG 3.27Å; R334-S337 WeakPolarHBondContact CA-OG 3.38Å; R334-S337 PolarHBondContact O-N 3.42Å; R334-S337 PolarHBondContact O-OG 2.91Å; S337-F339 VanDerWaalsContact C-N 3.28Å; S337-F339 PolarHBondContact O-N 2.82Å; S337-K340 PolarHBondContact O-N 2.98Å; S337-K340 VanDerWaalsContact O-N 3.12Å; S337-E341 WeakPolarHBondContact O-CG 3.3Å; S337-E341 PolarHBondContact O-N 3.42Å
338G89.3Confident86.8Confident25 Ų2561 Ų6126%0.25832%0.318SS..Hα-helixtrans-59.4-3817500000112.6R334 G335 R342R334-G338 PolarHBondContact O-N 2.96Å; G335-G338 PolarHBondContact O-N 2.9Å; G338-R342 VanDerWaalsContact O-CB 3.27Å; G338-R342 WeakPolarHBondContact O-CB 3.5Å; G338-R342 PolarHBondContact O-N 3.08Å
339F91.7Very high86.8Confident3 Ų361.2 Ų61.21%0.01332%0.319CS..Hα-helixtrans-59.8-51.4171.6170.4-102.4000111.9G335 L336 S337 E341 R342 V343 G354 V355 L357 L358 L390G335-F339 WeakPolarHBondContact O-CB 3.5Å; G335-F339 PolarHBondContact O-N 3.42Å; L336-F339 HydrophobicContact CD1-CD1 4.43Å; L336-F339 PolarHBondContact O-N 2.96Å; S337-F339 VanDerWaalsContact C-N 3.28Å; S337-F339 PolarHBondContact O-N 2.82Å; F339-E341 PolarHBondContact O-N 3.32Å; F339-R342 PolarHBondContact O-N 3.34Å; F339-V343 HydrophobicContact CD1-CG2 4.3Å; F339-V343 HydrophobicContact CD2-CG2 3.99Å; F339-V343 HydrophobicContact CE1-CG2 3.93Å; F339-V343 HydrophobicContact CE2-CG2 3.6Å; F339-V343 HydrophobicContact CG-CG2 4.34Å; F339-V343 HydrophobicContact CZ-CG2 3.57Å; F339-V343 WeakPolarHBondContact O-CB 3.49Å; F339-V343 WeakPolarHBondContact O-CG2 3.28Å; F339-V343 PolarHBondContact O-N 3.43Å; F339-G354 VanDerWaalsContact CD2-O 3.28Å; F339-G354 WeakPolarHBondContact CD2-O 3.49Å; F339-V355 HydrophobicContact CE2-CG2 4.33Å; F339-L357 HydrophobicContact CB-CB 4.48Å; F339-L358 HydrophobicContact CB-CD2 4.1Å; F339-L358 HydrophobicContact CD1-CD2 3.91Å; F339-L358 HydrophobicContact CD1-CG 4.47Å; F339-L358 HydrophobicContact CD2-CD1 4.11Å; F339-L358 HydrophobicContact CD2-CD2 4.01Å; F339-L358 HydrophobicContact CD2-CG 3.78Å; F339-L358 HydrophobicContact CE1-CD1 4.27Å; F339-L358 HydrophobicContact CE1-CD2 4.35Å; F339-L358 HydrophobicContact CE2-CD1 3.76Å; F339-L358 HydrophobicContact CE2-CD2 4.43Å; F339-L358 HydrophobicContact CE2-CG 3.96Å; F339-L358 HydrophobicContact CG-CD2 3.72Å; F339-L358 HydrophobicContact CG-CG 4.04Å; F339-L358 HydrophobicContact CZ-CD1 3.84Å; F339-L358 HydrophobicContact CZ-CG 4.38Å; F339-L390 HydrophobicContact CE1-CD1 3.99Å; F339-L390 HydrophobicContact CE1-CD2 4.43Å; F339-L390 HydrophobicContact CZ-CB 4.47Å
340K90.4Very high86.7Confident75 Ų7565.2 Ų65.233%0.32633%0.331SS..Hα-helixtrans-60.6-44.5-179.2-72.4175.8-177.7-177.40112L336 S337 V343 L344 L489L336-K340 WeakPolarHBondContact O-CG 3.41Å; L336-K340 PolarHBondContact O-N 3.23Å; L336-K340 VanDerWaalsContact O-N 3.08Å; S337-K340 PolarHBondContact O-N 2.98Å; S337-K340 VanDerWaalsContact O-N 3.12Å; K340-V343 PolarHBondContact O-N 3.15Å; K340-L344 WeakPolarHBondContact O-CG 3.36Å; K340-L344 PolarHBondContact O-N 3.33Å; K340-L344 VanDerWaalsContact O-N 3.1Å; K340-L489 HydrophobicContact CB-CD1 4.41Å; K340-L489 HydrophobicContact CB-CD2 4.09Å; K340-L489 HydrophobicContact CD-CD1 4.3Å; K340-L489 HydrophobicContact CG-CD1 4.24Å; K340-L489 HydrophobicContact CG-CD2 4.27Å
341E89.4Confident86.7Confident131 Ų13162.3 Ų62.361%0.61232%0.319SS*.Hα-helixtrans-61.5-46.9176.9-71.5173-170.400111.4S337 F339 V343 L344 V345S337-E341 WeakPolarHBondContact O-CG 3.3Å; S337-E341 PolarHBondContact O-N 3.42Å; F339-E341 PolarHBondContact O-N 3.32Å; E341-V343 VanDerWaalsContact C-N 3.33Å; E341-V343 PolarHBondContact O-N 2.63Å; E341-L344 PolarHBondContact O-N 2.95Å; E341-V345 WeakPolarHBondContact O-CG2 3.45Å; E341-V345 PolarHBondContact O-N 3.37Å
342R89.1Confident86.8Confident142 Ų14264.4 Ų64.454%0.53633%0.334SS..Hα-helixtrans-61.3-40.3178.5-171.363.1129.7123.50.4112.5G338 F339 R346 L357G338-R342 VanDerWaalsContact O-CB 3.27Å; G338-R342 WeakPolarHBondContact O-CB 3.5Å; G338-R342 PolarHBondContact O-N 3.08Å; F339-R342 PolarHBondContact O-N 3.34Å; R342-R346 WeakPolarHBondContact O-CG 3.39Å; R342-L357 HydrophobicContact CB-CD1 4.16Å; R342-L357 HydrophobicContact CG-CD1 4.28Å
343V88.4Confident86.6Confident0 Ų069.8 Ų69.80%036%0.359CS..Hα-helixtrans-64.4-46.1178.5169.90000111.4F339 K340 E341 V345 R346 L489 R492 C493F339-V343 HydrophobicContact CD1-CG2 4.3Å; F339-V343 HydrophobicContact CD2-CG2 3.99Å; F339-V343 HydrophobicContact CE1-CG2 3.93Å; F339-V343 HydrophobicContact CE2-CG2 3.6Å; F339-V343 HydrophobicContact CG-CG2 4.34Å; F339-V343 HydrophobicContact CZ-CG2 3.57Å; F339-V343 WeakPolarHBondContact O-CB 3.49Å; F339-V343 WeakPolarHBondContact O-CG2 3.28Å; F339-V343 PolarHBondContact O-N 3.43Å; K340-V343 PolarHBondContact O-N 3.15Å; E341-V343 VanDerWaalsContact C-N 3.33Å; E341-V343 PolarHBondContact O-N 2.63Å; V343-V345 PolarHBondContact O-N 3.14Å; V343-R346 WeakPolarHBondContact O-CG 3.35Å; V343-R346 PolarHBondContact O-N 3.1Å; V343-L489 HydrophobicContact CB-CD2 4.27Å; V343-L489 HydrophobicContact CG1-CD2 4.08Å; V343-R492 HydrophobicContact CG1-CB 3.47Å; V343-R492 VanDerWaalsContact CG1-CB 3.47Å; V343-R492 HydrophobicContact CG1-CG 4.36Å; V343-R492 WeakPolarHBondContact O-CD 3.47Å; V343-R492 PolarHBondContact O-NH1 3.33Å; V343-C493 VanDerWaalsContact CG1-SG 3.59Å
344L86.1Confident86.4Confident60 Ų6065.8 Ų65.831%0.31434%0.343SS..Hα-helixtrans-62-33.6-176.7-77.5170.5000112.3K340 E341 A488 L489 R492K340-L344 WeakPolarHBondContact O-CG 3.36Å; K340-L344 PolarHBondContact O-N 3.33Å; K340-L344 VanDerWaalsContact O-N 3.1Å; E341-L344 PolarHBondContact O-N 2.95Å; L344-A488 HydrophobicContact CD2-CB 4.04Å; L344-L489 HydrophobicContact CD1-CD2 4.13Å; L344-L489 HydrophobicContact CD1-CG 4.28Å; L344-L489 HydrophobicContact CD2-CD2 3.91Å; L344-L489 HydrophobicContact CD2-CG 3.84Å; L344-L489 HydrophobicContact CG-CD2 3.63Å; L344-L489 HydrophobicContact CG-CG 4.02Å; L344-R492 PolarHBondContact O-NH1 3.46Å; L344-R492 PolarHBondContact O-NH2 3.1Å
345V84.9Confident86.4Confident124 Ų12459.6 Ų59.675%0.75232%0.323SS*.THydrogen-bonded Turntrans-85.2-6.5-176.4-176.60000113.2E341 V343 A347E341-V345 WeakPolarHBondContact O-CG2 3.45Å; E341-V345 PolarHBondContact O-N 3.37Å; V343-V345 PolarHBondContact O-N 3.14Å; V345-A347 PolarHBondContact O-N 2.9Å
346R85.5Confident86.4Confident19 Ų1965.7 Ų65.77%0.07235%0.345CS..  trans-58.5130.9-177.8-54.3173.1-179.1151.72.1111.3R342 V343 S351 E353 R492R342-R346 WeakPolarHBondContact O-CG 3.39Å; V343-R346 WeakPolarHBondContact O-CG 3.35Å; V343-R346 PolarHBondContact O-N 3.1Å; R346-S351 PolarHBondContact NH1-O 3.24Å; R346-S351 VanDerWaalsContact NH1-O 3.11Å; R346-E353 PolarHBondContact NE-O 2.99Å; R346-E353 PolarHBondContact NH2-O 3.14Å; R346-R492 VanDerWaalsContact CB-NH1 3.32Å; R346-R492 PolarHBondContact NH1-O 2.84Å; R346-R492 PolarHBondContact O-NH1 3.29Å; R346-R492 PolarHBondContact O-NH2 3.47Å
347A76.4Confident86.3Confident80 Ų8067.8 Ų67.866%0.66136%0.356SS*.SBendtrans-75.9-39.5176.100000112.1V345V345-A347 PolarHBondContact O-N 2.9Å
348D82.4Confident86.4Confident88 Ų8865.2 Ų65.247%0.47134%0.338SS..  trans-91.1124175.7-176.911.7000111.2R350 S351D348-R350 VanDerWaalsContact C-N 3.26Å; D348-R350 PolarHBondContact O-N 3.11Å; D348-R350 PolarHBondContact OD1-N 3.4Å; D348-S351 WeakPolarHBondContact O-CB 3.37Å; D348-S351 PolarHBondContact O-N 2.79Å
349L84.3Confident86.4Confident5 Ų567.1 Ų67.13%0.02634%0.342CS..THydrogen-bonded Turntrans-67.3-27.7178.5-17166000112.2R492 R500 F504 L560L349-R492 HydrophobicContact CD1-CG 4.3Å; L349-R500 HydrophobicContact CD2-CB 3.82Å; L349-R500 WeakPolarHBondContact CD2-O 3.32Å; L349-R500 HydrophobicContact CG-CB 3.76Å; L349-R500 WeakPolarHBondContact O-CD 3.47Å; L349-R500 PolarHBondContact O-NH1 2.96Å; L349-F504 HydrophobicContact CD2-CB 4.08Å; L349-L560 HydrophobicContact CD1-CB 4.25Å; L349-L560 HydrophobicContact CD1-CD2 3.92Å
350R84.9Confident86.1Confident139 Ų13969.7 Ų69.753%0.52536%0.359SS..THydrogen-bonded Turntrans-82.3-16.5178.7-68-176173.5173.4-0.4113.3D348D348-R350 VanDerWaalsContact C-N 3.26Å; D348-R350 PolarHBondContact O-N 3.11Å; D348-R350 PolarHBondContact OD1-N 3.4Å
351S85.8Confident86.1Confident16 Ų1666.2 Ų66.211%0.11234%0.344CS..  trans-63.8140.7-178.6178.60000112.3R346 D348 E353 R500R346-S351 PolarHBondContact NH1-O 3.24Å; R346-S351 VanDerWaalsContact NH1-O 3.11Å; D348-S351 WeakPolarHBondContact O-CB 3.37Å; D348-S351 PolarHBondContact O-N 2.79Å; S351-E353 WeakPolarHBondContact OG-CB 3.34Å; S351-E353 VanDerWaalsContact OG-CG 3.24Å; S351-E353 WeakPolarHBondContact OG-CG 3.49Å; S351-E353 PolarHBondContact OG-N 2.98Å; S351-E353 VanDerWaalsContact OG-N 3.15Å; S351-E353 PolarHBondContact OG-OE1 3.2Å; S351-R500 PolarHBondContact O-NH1 3.42Å
352T85.2Confident86.1Confident83 Ų8360.1 Ų60.151%0.50932%0.316SS..  trans-105.911.2172.9520000112G354 V355T352-G354 PolarHBondContact O-N 2.96Å; T352-V355 WeakPolarHBondContact O-CB 3.47Å; T352-V355 WeakPolarHBondContact O-CG2 3.32Å; T352-V355 PolarHBondContact O-N 2.91Å
353E83.5Confident86.1Confident118 Ų11853.8 Ų53.855%0.55129%0.294SS*.THydrogen-bonded Turntrans-56.3132-177.6-80.4169.8-138.700113.7R346 S351R346-E353 PolarHBondContact NE-O 2.99Å; R346-E353 PolarHBondContact NH2-O 3.14Å; S351-E353 WeakPolarHBondContact OG-CB 3.34Å; S351-E353 VanDerWaalsContact OG-CG 3.24Å; S351-E353 WeakPolarHBondContact OG-CG 3.49Å; S351-E353 PolarHBondContact OG-N 2.98Å; S351-E353 VanDerWaalsContact OG-N 3.15Å; S351-E353 PolarHBondContact OG-OE1 3.2Å
354G83.6Confident86Confident12 Ų1254 Ų5412%0.12430%0.295CS..THydrogen-bonded Turntrans95.6-5.6-179.400000114.1F339 T352 E356 L357F339-G354 VanDerWaalsContact CD2-O 3.28Å; F339-G354 WeakPolarHBondContact CD2-O 3.49Å; T352-G354 PolarHBondContact O-N 2.96Å; G354-E356 PolarHBondContact O-N 2.93Å; G354-L357 VanDerWaalsContact O-CB 3.25Å; G354-L357 WeakPolarHBondContact O-CB 3.15Å; G354-L357 WeakPolarHBondContact O-CG 3.19Å; G354-L357 PolarHBondContact O-N 2.92Å
355V87.4Confident86.2Confident24 Ų2451.3 Ų51.315%0.14528%0.281CS..G310 helixtrans-58.7-30.1168.6169.80000111.9F339 T352 L357 L358F339-V355 HydrophobicContact CE2-CG2 4.33Å; T352-V355 WeakPolarHBondContact O-CB 3.47Å; T352-V355 WeakPolarHBondContact O-CG2 3.32Å; T352-V355 PolarHBondContact O-N 2.91Å; V355-L357 PolarHBondContact O-N 3.08Å; V355-L358 VanDerWaalsContact O-CB 3.32Å; V355-L358 WeakPolarHBondContact O-CB 3.44Å; V355-L358 PolarHBondContact O-N 3.11Å
356E86.9Confident86.5Confident151 Ų15148.3 Ų48.371%0.70626%0.257SS*.G310 helixtrans-58.4-26.4173-62.9168.1-169.600113.1G354 L358 D359 P360G354-E356 PolarHBondContact O-N 2.93Å; E356-L358 PolarHBondContact O-N 2.99Å; E356-D359 PolarHBondContact O-N 3.08Å; E356-P360 WeakPolarHBondContact O-CD 3.39Å
357L87.7Confident86.6Confident74 Ų7447.4 Ų47.439%0.38725%0.253SS..G310 helixtrans-67.6-16.6176.6-59.6173.8000112.5F339 R342 G354 V355 V361F339-L357 HydrophobicContact CB-CB 4.48Å; R342-L357 HydrophobicContact CB-CD1 4.16Å; R342-L357 HydrophobicContact CG-CD1 4.28Å; G354-L357 VanDerWaalsContact O-CB 3.25Å; G354-L357 WeakPolarHBondContact O-CB 3.15Å; G354-L357 WeakPolarHBondContact O-CG 3.19Å; G354-L357 PolarHBondContact O-N 2.92Å; V355-L357 PolarHBondContact O-N 3.08Å; L357-V361 WeakPolarHBondContact O-CG2 3.41Å
358L90.7Very high87.1Confident0 Ų043.7 Ų43.70%022%0.222CC..G310 helixtrans-81-21.9177.2-64.5173.8000112.8L336 F339 V355 E356 V361 I362 L390 R391L336-L358 HydrophobicContact CD1-CD2 4.2Å; F339-L358 HydrophobicContact CB-CD2 4.1Å; F339-L358 HydrophobicContact CD1-CD2 3.91Å; F339-L358 HydrophobicContact CD1-CG 4.47Å; F339-L358 HydrophobicContact CD2-CD1 4.11Å; F339-L358 HydrophobicContact CD2-CD2 4.01Å; F339-L358 HydrophobicContact CD2-CG 3.78Å; F339-L358 HydrophobicContact CE1-CD1 4.27Å; F339-L358 HydrophobicContact CE1-CD2 4.35Å; F339-L358 HydrophobicContact CE2-CD1 3.76Å; F339-L358 HydrophobicContact CE2-CD2 4.43Å; F339-L358 HydrophobicContact CE2-CG 3.96Å; F339-L358 HydrophobicContact CG-CD2 3.72Å; F339-L358 HydrophobicContact CG-CG 4.04Å; F339-L358 HydrophobicContact CZ-CD1 3.84Å; F339-L358 HydrophobicContact CZ-CG 4.38Å; V355-L358 VanDerWaalsContact O-CB 3.32Å; V355-L358 WeakPolarHBondContact O-CB 3.44Å; V355-L358 PolarHBondContact O-N 3.11Å; E356-L358 PolarHBondContact O-N 2.99Å; L358-V361 WeakPolarHBondContact O-CB 3.47Å; L358-V361 PolarHBondContact O-N 3.14Å; L358-V361 VanDerWaalsContact O-N 3.13Å; L358-I362 HydrophobicContact CB-CD1 4.18Å; L358-I362 WeakPolarHBondContact O-CB 3.38Å; L358-I362 VanDerWaalsContact O-CG1 3.29Å; L358-I362 WeakPolarHBondContact O-CG1 3.3Å; L358-I362 PolarHBondContact O-N 3.38Å; L358-L390 HydrophobicContact CD1-CB 3.63Å; L358-R391 HydrophobicContact CD1-CB 4.29Å
359D89.2Confident87.3Confident65 Ų6540.2 Ų40.235%0.34821%0.205SC..Hα-helixtrans-57.5-52.4-179.2-67.3-31.1000112.3E356 V361 I362 A363 R391E356-D359 PolarHBondContact O-N 3.08Å; D359-V361 VanDerWaalsContact C-N 3.26Å; D359-V361 PolarHBondContact O-N 3.44Å; D359-I362 PolarHBondContact O-N 3.05Å; D359-A363 WeakPolarHBondContact O-CB 2.94Å; D359-A363 PolarHBondContact O-N 3Å; D359-R391 IonicContact OD1-CZ 3.56Å; D359-R391 IonicContact OD1-NE 3.36Å; D359-R391 PolarHBondContact OD1-NE 2.81Å; D359-R391 IonicContact OD1-NH2 3.15Å; D359-R391 PolarHBondContact OD1-NH2 2.83Å; D359-R391 IonicContact OD2-CZ 2.84Å; D359-R391 IonicContact OD2-NE 2.72Å; D359-R391 IonicContact OD2-NH2 3.17Å; D359-R391 PolarHBondContact OD2-NH2 3.47Å
360P86.1Confident87.4Confident57 Ų5744 Ų4437%0.3722%0.222SC..Hα-helixtrans-66.4-26.8175.826-35.2000113.5E356 S364E356-P360 WeakPolarHBondContact O-CD 3.39Å; P360-S364 WeakPolarHBondContact O-CB 3.03Å; P360-S364 PolarHBondContact O-N 3Å; P360-S364 PolarHBondContact O-OG 2.9Å
361V89.8Confident87.3Confident2 Ų237.8 Ų37.81%0.01220%0.199CC..Hα-helixtrans-70.3-46.7176.5176.90000110.4A332 L357 L358 D359 S364 L365A332-V361 HydrophobicContact CB-CG1 4.08Å; L357-V361 WeakPolarHBondContact O-CG2 3.41Å; L358-V361 WeakPolarHBondContact O-CB 3.47Å; L358-V361 PolarHBondContact O-N 3.14Å; L358-V361 VanDerWaalsContact O-N 3.13Å; D359-V361 VanDerWaalsContact C-N 3.26Å; D359-V361 PolarHBondContact O-N 3.44Å; V361-S364 PolarHBondContact O-N 3.24Å; V361-L365 HydrophobicContact CG1-CD1 3.96Å; V361-L365 HydrophobicContact CG1-CG 4.47Å; V361-L365 VanDerWaalsContact O-CG 3.3Å; V361-L365 WeakPolarHBondContact O-CG 3.3Å; V361-L365 PolarHBondContact O-N 3.27Å
362I90.8Very high87.1Confident3 Ų340 Ų402%0.01521%0.208CC..Hα-helixtrans-63.9-44.5177.9-69.4164.5000109.9L358 D359 S364 L365 R366 L384 C387 L388 R391L358-I362 HydrophobicContact CB-CD1 4.18Å; L358-I362 WeakPolarHBondContact O-CB 3.38Å; L358-I362 VanDerWaalsContact O-CG1 3.29Å; L358-I362 WeakPolarHBondContact O-CG1 3.3Å; L358-I362 PolarHBondContact O-N 3.38Å; D359-I362 PolarHBondContact O-N 3.05Å; I362-S364 VanDerWaalsContact C-N 3.35Å; I362-S364 PolarHBondContact O-N 2.83Å; I362-L365 PolarHBondContact O-N 3.21Å; I362-R366 HydrophobicContact CG2-CG 4.26Å; I362-R366 WeakPolarHBondContact O-CB 3.33Å; I362-R366 WeakPolarHBondContact O-CG 3.3Å; I362-R366 PolarHBondContact O-N 2.9Å; I362-L384 HydrophobicContact CG2-CD1 4.18Å; I362-C387 HydrophobicContact CD1-CB 4.43Å; I362-C387 HydrophobicContact CG1-CB 3.78Å; I362-L388 HydrophobicContact CD1-CD2 4.24Å; I362-L388 HydrophobicContact CG1-CD2 4.47Å; I362-L388 HydrophobicContact CG2-CD2 3.78Å; I362-R391 HydrophobicContact CD1-CB 3.59Å; I362-R391 HydrophobicContact CD1-CG 3.79Å
363A88.1Confident86.5Confident10 Ų1040.8 Ų40.88%0.08321%0.214CC..Hα-helixtrans-54.4-51.7173.800000110.8E301 D359 L365 R366 T367E301-A363 VanDerWaalsContact OE1-CB 3.27Å; E301-A363 WeakPolarHBondContact OE1-CB 3.29Å; D359-A363 WeakPolarHBondContact O-CB 2.94Å; D359-A363 PolarHBondContact O-N 3Å; A363-L365 PolarHBondContact O-N 3.28Å; A363-R366 PolarHBondContact O-N 2.7Å; A363-T367 WeakPolarHBondContact O-CG2 3.35Å; A363-T367 PolarHBondContact O-N 3.25Å
364S87.7Confident85.8Confident3 Ų342.3 Ų42.32%0.02123%0.227CC..Hα-helixtrans-59-45.6178.7-58.40000112.3P360 V361 I362 T367 L368P360-S364 WeakPolarHBondContact O-CB 3.03Å; P360-S364 PolarHBondContact O-N 3Å; P360-S364 PolarHBondContact O-OG 2.9Å; V361-S364 PolarHBondContact O-N 3.24Å; I362-S364 VanDerWaalsContact C-N 3.35Å; I362-S364 PolarHBondContact O-N 2.83Å; S364-T367 PolarHBondContact O-N 3.19Å; S364-T367 PolarHBondContact O-OG1 3.21Å; S364-L368 WeakPolarHBondContact O-CG 3.49Å; S364-L368 PolarHBondContact O-N 3.16Å; S364-L368 VanDerWaalsContact O-N 3.09Å
365L89.9Confident85.3Confident4 Ų443.2 Ų43.22%0.02124%0.236CC..Hα-helixtrans-67.1-39.7178.5-68.4172.4000112.5A332 V361 I362 A363 L368 C369 L380 R383 L384 C387A332-L365 HydrophobicContact CB-CD2 4.02Å; A332-L365 HydrophobicContact CB-CG 4.08Å; V361-L365 HydrophobicContact CG1-CD1 3.96Å; V361-L365 HydrophobicContact CG1-CG 4.47Å; V361-L365 VanDerWaalsContact O-CG 3.3Å; V361-L365 WeakPolarHBondContact O-CG 3.3Å; V361-L365 PolarHBondContact O-N 3.27Å; I362-L365 PolarHBondContact O-N 3.21Å; A363-L365 PolarHBondContact O-N 3.28Å; L365-L368 PolarHBondContact O-N 3.11Å; L365-C369 PolarHBondContact O-N 3.45Å; L365-L380 HydrophobicContact CD2-CD1 3.63Å; L365-R383 HydrophobicContact CD1-CB 4.42Å; L365-L384 HydrophobicContact CB-CB 4.27Å; L365-L384 HydrophobicContact CB-CD1 3.92Å; L365-C387 HydrophobicContact CD1-CB 4.33Å
366R90.1Very high84.9Confident61 Ų6142.3 Ų42.323%0.2323%0.231CC..Hα-helixtrans-61.3-44.1173.7-77.6179.5171146.1-0.8110.9I362 A363 L368 C369 H370 L384 L388 E393 E396I362-R366 HydrophobicContact CG2-CG 4.26Å; I362-R366 WeakPolarHBondContact O-CB 3.33Å; I362-R366 WeakPolarHBondContact O-CG 3.3Å; I362-R366 PolarHBondContact O-N 2.9Å; A363-R366 PolarHBondContact O-N 2.7Å; R366-L368 VanDerWaalsContact C-N 3.34Å; R366-L368 PolarHBondContact O-N 3.34Å; R366-C369 WeakPolarHBondContact O-CB 3.41Å; R366-C369 PolarHBondContact O-N 2.95Å; R366-H370 PolarHBondContact O-CD2 3Å; R366-H370 PolarHBondContact O-N 3.31Å; R366-L384 HydrophobicContact CG-CD1 3.92Å; R366-L384 HydrophobicContact CG-CD2 4.28Å; R366-L388 VanDerWaalsContact NH2-CD2 3.31Å; R366-E393 IonicContact CZ-OE2 2.68Å; R366-E393 IonicContact NH2-OE2 2.93Å; R366-E393 PolarHBondContact NH2-OE2 3.03Å; R366-E396 IonicContact CZ-OE1 2.73Å; R366-E396 IonicContact NE-OE1 3.66Å; R366-E396 PolarHBondContact NE-OE1 2.82Å; R366-E396 VanDerWaalsContact NH2-CD 3.25Å; R366-E396 IonicContact NH2-OE1 3.1Å; R366-E396 PolarHBondContact NH2-OE1 3.45Å; R366-E396 IonicContact NH2-OE2 3.54Å; R366-E396 PolarHBondContact NH2-OE2 2.98Å
367T87.8Confident84.7Confident1 Ų137 Ų371%0.00622%0.216CC..Hα-helixtrans-60-45.1176.770.60000111.6F300 A363 S364 C369 H370 L371F300-T367 HydrophobicContact CB-CG2 3.56Å; F300-T367 HydrophobicContact CD2-CG2 3.94Å; F300-T367 HydrophobicContact CG-CG2 3.95Å; A363-T367 WeakPolarHBondContact O-CG2 3.35Å; A363-T367 PolarHBondContact O-N 3.25Å; S364-T367 PolarHBondContact O-N 3.19Å; S364-T367 PolarHBondContact O-OG1 3.21Å; T367-C369 VanDerWaalsContact C-N 3.33Å; T367-C369 PolarHBondContact O-N 2.98Å; T367-H370 PolarHBondContact O-N 3.46Å; T367-H370 VanDerWaalsContact O-N 3.1Å; T367-L371 VanDerWaalsContact O-CG 3.26Å; T367-L371 WeakPolarHBondContact O-CG 3.44Å; T367-L371 PolarHBondContact O-N 3.22Å
368L87.8Confident84.6Confident1 Ų134.7 Ų34.71%0.00520%0.203CC..Hα-helixtrans-60.5-42.4177.5-71.9167.6000111.6R325 L328 L329 S364 L365 R366 H370 L371 E372 L380R325-L368 HydrophobicContact CB-CD2 4.05Å; R325-L368 HydrophobicContact CG-CD2 4.11Å; L328-L368 HydrophobicContact CB-CD1 4.07Å; L328-L368 HydrophobicContact CB-CD2 3.98Å; L328-L368 HydrophobicContact CB-CG 4.01Å; L328-L368 HydrophobicContact CD1-CD2 4.16Å; L328-L368 HydrophobicContact CD1-CG 4.43Å; L329-L368 HydrophobicContact CD2-CD1 3.53Å; L329-L368 HydrophobicContact CG-CD1 3.7Å; L329-L368 HydrophobicContact CG-CD2 4.46Å; S364-L368 WeakPolarHBondContact O-CG 3.49Å; S364-L368 PolarHBondContact O-N 3.16Å; S364-L368 VanDerWaalsContact O-N 3.09Å; L365-L368 PolarHBondContact O-N 3.11Å; R366-L368 VanDerWaalsContact C-N 3.34Å; R366-L368 PolarHBondContact O-N 3.34Å; L368-H370 VanDerWaalsContact C-N 3.31Å; L368-H370 PolarHBondContact O-N 3.17Å; L368-L371 PolarHBondContact O-N 3.45Å; L368-L371 VanDerWaalsContact O-N 3.16Å; L368-E372 PolarHBondContact O-N 3.5Å; L368-E372 VanDerWaalsContact O-N 3.11Å; L368-L380 HydrophobicContact CB-CD1 3.97Å; L368-L380 HydrophobicContact CB-CD2 3.77Å; L368-L380 HydrophobicContact CB-CG 4.48Å; L368-L380 HydrophobicContact CD1-CD1 4.04Å
369C87.3Confident84.4Confident15 Ų1538.3 Ų38.310%0.10122%0.22CC..Hα-helixtrans-59.9-38.9174.5-78.40000112.4L365 R366 T367 G375 L380L365-C369 PolarHBondContact O-N 3.45Å; R366-C369 WeakPolarHBondContact O-CB 3.41Å; R366-C369 PolarHBondContact O-N 2.95Å; T367-C369 VanDerWaalsContact C-N 3.33Å; T367-C369 PolarHBondContact O-N 2.98Å; C369-G375 WeakPolarHBondContact CB-O 3.34Å; C369-G375 CarbonylContact O-C 3.46Å; C369-G375 VanDerWaalsContact O-CA 3.3Å; C369-G375 WeakPolarHBondContact O-CA 3.46Å; C369-G375 PolarHBondContact SG-O 3.45Å; C369-L380 HydrophobicContact CB-CD2 4.44Å; C369-L380 VanDerWaalsContact SG-CD2 3.59Å
370H85.8Confident84.4Confident84 Ų8436 Ų3639%0.38921%0.207SC..Hα-helixtrans-71.6-28.1176.3-71.3-55000113.7F300 R308 R366 T367 L368F300-H370 HydrophobicContact CD1-CB 3.74Å; F300-H370 HydrophobicContact CE1-CB 3.8Å; R308-H370 PolarHBondContact NE-O 3.29Å; R308-H370 VanDerWaalsContact NE-O 3.09Å; R366-H370 PolarHBondContact O-CD2 3Å; R366-H370 PolarHBondContact O-N 3.31Å; T367-H370 PolarHBondContact O-N 3.46Å; T367-H370 VanDerWaalsContact O-N 3.1Å; L368-H370 VanDerWaalsContact C-N 3.31Å; L368-H370 PolarHBondContact O-N 3.17Å
371L83.4Confident84.5Confident10 Ų1036.3 Ų36.35%0.05220%0.201CC..Hα-helixtrans-78.8-31.4-179.2-71.9176.6000113.2F300 F311 R325 L328 T367 L368F300-L371 HydrophobicContact CE1-CD2 4.2Å; F300-L371 HydrophobicContact CE2-CD2 4.06Å; F300-L371 HydrophobicContact CE2-CG 4.39Å; F300-L371 HydrophobicContact CZ-CD2 3.42Å; F300-L371 VanDerWaalsContact CZ-CD2 3.42Å; F300-L371 HydrophobicContact CZ-CG 3.96Å; F311-L371 HydrophobicContact CB-CD2 4.02Å; F311-L371 HydrophobicContact CD1-CD2 3.27Å; F311-L371 HydrophobicContact CD1-CG 4.48Å; F311-L371 HydrophobicContact CD2-CD1 4.35Å; F311-L371 HydrophobicContact CD2-CD2 3.93Å; F311-L371 HydrophobicContact CE1-CD1 4.08Å; F311-L371 HydrophobicContact CE1-CD2 3.61Å; F311-L371 HydrophobicContact CE1-CG 4.41Å; F311-L371 HydrophobicContact CE2-CD1 3.92Å; F311-L371 HydrophobicContact CE2-CD2 4.21Å; F311-L371 HydrophobicContact CG-CD2 3.45Å; F311-L371 VanDerWaalsContact CG-CD2 3.45Å; F311-L371 HydrophobicContact CZ-CD1 3.76Å; F311-L371 HydrophobicContact CZ-CD2 4.07Å; R325-L371 HydrophobicContact CG-CD1 4.46Å; L328-L371 HydrophobicContact CD1-CD1 4.36Å; T367-L371 VanDerWaalsContact O-CG 3.26Å; T367-L371 WeakPolarHBondContact O-CG 3.44Å; T367-L371 PolarHBondContact O-N 3.22Å; L368-L371 PolarHBondContact O-N 3.45Å; L368-L371 VanDerWaalsContact O-N 3.16Å
372E80.9Confident84.6Confident61 Ų6136.6 Ų36.629%0.28520%0.203SC..SBendtrans-83.6153.7178.7-69.8-173.2177.400112.7L368 G376 G377L368-E372 PolarHBondContact O-N 3.5Å; L368-E372 VanDerWaalsContact O-N 3.11Å; E372-G376 WeakPolarHBondContact OE2-CA 3.25Å; E372-G377 PolarHBondContact OE2-N 3.18Å
373P72Confident84.6Confident100 Ų10040.5 Ų40.565%0.64922%0.217SC*.G310 helixtrans-63.8148.7168.627.4-32.4000110.9G375 G376P373-G375 PolarHBondContact O-N 3.39Å; P373-G375 VanDerWaalsContact O-N 3.17Å; P373-G376 PolarHBondContact O-N 3.03Å; P373-G376 VanDerWaalsContact O-N 3.1Å
374D69.9Low84.8Confident151 Ų15140.5 Ų40.581%0.80722%0.216SC*.G310 helixtrans57.225.5178.2-52.5-34.9000116.5G376D374-G376 PolarHBondContact O-N 3.48Å
375G72.3Confident85Confident31 Ų3140.4 Ų40.432%0.3222%0.215SC..G310 helixtrans76.711.9-179.300000113.7C369 P373 R381C369-G375 WeakPolarHBondContact CB-O 3.34Å; C369-G375 CarbonylContact O-C 3.46Å; C369-G375 VanDerWaalsContact O-CA 3.3Å; C369-G375 WeakPolarHBondContact O-CA 3.46Å; C369-G375 PolarHBondContact SG-O 3.45Å; P373-G375 PolarHBondContact O-N 3.39Å; P373-G375 VanDerWaalsContact O-N 3.17Å; G375-R381 WeakPolarHBondContact O-CG 3.34Å
376G78.8Confident85.2Confident5 Ų541.2 Ų41.25%0.05222%0.219CC..SBendtrans91.1167.4174.400000116.4E372 P373 D374 R381E372-G376 WeakPolarHBondContact OE2-CA 3.25Å; P373-G376 PolarHBondContact O-N 3.03Å; P373-G376 VanDerWaalsContact O-N 3.1Å; D374-G376 PolarHBondContact O-N 3.48Å; G376-R381 PolarHBondContact O-NE 3.03Å; G376-R381 PolarHBondContact O-NH2 3.05Å
377G82.1Confident85.3Confident38 Ų3838.4 Ų38.439%0.39221%0.209SC..  trans-55.6154.8-178.900000113.1E372 E379 L380 R381E372-G377 PolarHBondContact OE2-N 3.18Å; G377-E379 VanDerWaalsContact C-N 3.27Å; G377-E379 PolarHBondContact O-N 3.49Å; G377-L380 PolarHBondContact O-N 3.49Å; G377-L380 VanDerWaalsContact O-N 3.17Å; G377-R381 PolarHBondContact O-N 3.37Å; G377-R381 VanDerWaalsContact O-N 3.16Å
378R85.8Confident85.6Confident27 Ų2738.3 Ų38.310%0.10221%0.209CC..Hα-helixtrans-55.7-42.2-179.3-178170.8-167.4161-0.2112.3R381 V382 L404 Q410 S412R378-R381 PolarHBondContact O-N 3.3Å; R378-V382 HydrophobicContact CG-CG2 4.28Å; R378-V382 VanDerWaalsContact O-CG2 3.25Å; R378-V382 WeakPolarHBondContact O-CG2 3.35Å; R378-V382 PolarHBondContact O-N 3.46Å; R378-L404 HydrophobicContact CG-CD2 4.2Å; R378-L404 PolarHBondContact NH2-O 2.75Å; R378-Q410 PolarHBondContact NH1-O 2.94Å; R378-S412 WeakPolarHBondContact CD-O 3.34Å; R378-S412 PolarHBondContact NE-O 3.25Å; R378-S412 PolarHBondContact NH1-O 2.61Å; R378-S412 PolarHBondContact NH2-O 3.29Å
379E87.1Confident85.8Confident76 Ų7638.5 Ų38.536%0.35521%0.209SC..Hα-helixtrans-60.2-45.8178.7-178.9173.916300112.3G377 R381 V382 R383 Y413G377-E379 VanDerWaalsContact C-N 3.27Å; G377-E379 PolarHBondContact O-N 3.49Å; E379-R381 VanDerWaalsContact C-N 3.34Å; E379-R381 PolarHBondContact O-N 2.92Å; E379-V382 PolarHBondContact O-N 2.95Å; E379-R383 WeakPolarHBondContact O-CG 3.41Å; E379-R383 PolarHBondContact O-N 3.13Å; E379-R383 IonicContact OE1-CZ 2.75Å; E379-R383 VanDerWaalsContact OE1-CZ 3.29Å; E379-R383 IonicContact OE1-NE 3.57Å; E379-R383 PolarHBondContact OE1-NE 3.07Å; E379-R383 IonicContact OE1-NH2 3.93Å; E379-R383 PolarHBondContact OE1-NH2 3.46Å; E379-Y413 HydrophobicContact CB-CE2 3.93Å; E379-Y413 HydrophobicContact CG-CE2 4.21Å; E379-Y413 PolarHBondContact OE2-OH 3.05Å
380L88.8Confident86Confident15 Ų1538.9 Ų38.98%0.07921%0.211CC..Hα-helixtrans-59.9-46.1178.9-177.869.4000111L329 L365 L368 C369 G377 V382 R383 L384L329-L380 HydrophobicContact CD2-CD1 4.38Å; L365-L380 HydrophobicContact CD2-CD1 3.63Å; L368-L380 HydrophobicContact CB-CD1 3.97Å; L368-L380 HydrophobicContact CB-CD2 3.77Å; L368-L380 HydrophobicContact CB-CG 4.48Å; L368-L380 HydrophobicContact CD1-CD1 4.04Å; C369-L380 HydrophobicContact CB-CD2 4.44Å; C369-L380 VanDerWaalsContact SG-CD2 3.59Å; G377-L380 PolarHBondContact O-N 3.49Å; G377-L380 VanDerWaalsContact O-N 3.17Å; L380-V382 PolarHBondContact O-N 3.24Å; L380-R383 PolarHBondContact O-N 2.83Å; L380-L384 WeakPolarHBondContact O-CB 3.4Å; L380-L384 PolarHBondContact O-N 2.89Å
381R89Confident86.2Confident64 Ų6438.9 Ų38.924%0.24221%0.207CC..Hα-helixtrans-66.7-34.6177-72-169.9-82.7165.3-9.2113.1G375 G376 G377 R378 E379 A385 I400 L404G375-R381 WeakPolarHBondContact O-CG 3.34Å; G376-R381 PolarHBondContact O-NE 3.03Å; G376-R381 PolarHBondContact O-NH2 3.05Å; G377-R381 PolarHBondContact O-N 3.37Å; G377-R381 VanDerWaalsContact O-N 3.16Å; R378-R381 PolarHBondContact O-N 3.3Å; E379-R381 VanDerWaalsContact C-N 3.34Å; E379-R381 PolarHBondContact O-N 2.92Å; R381-A385 WeakPolarHBondContact O-CB 3.2Å; R381-A385 PolarHBondContact O-N 3.48Å; R381-I400 HydrophobicContact CB-CG2 4.16Å; R381-L404 HydrophobicContact CB-CD1 3.98Å; R381-L404 HydrophobicContact CB-CD2 4.22Å
382V91.3Very high86.5Confident9 Ų940.2 Ų40.26%0.05522%0.224CC..Hα-helixtrans-65.4-44.6172.3170.80000110.9R378 E379 L380 A385 D386 L404 T416 V417 L420R378-V382 HydrophobicContact CG-CG2 4.28Å; R378-V382 VanDerWaalsContact O-CG2 3.25Å; R378-V382 WeakPolarHBondContact O-CG2 3.35Å; R378-V382 PolarHBondContact O-N 3.46Å; E379-V382 PolarHBondContact O-N 2.95Å; L380-V382 PolarHBondContact O-N 3.24Å; V382-A385 PolarHBondContact O-N 3.03Å; V382-D386 PolarHBondContact O-N 3.5Å; V382-L404 HydrophobicContact CG2-CD1 3.76Å; V382-T416 HydrophobicContact CG1-CG2 3.8Å; V382-V417 HydrophobicContact CG2-CG2 3.67Å; V382-L420 HydrophobicContact CG1-CD1 4.12Å
383R90.6Very high87Confident85 Ų8540.8 Ų40.832%0.32123%0.226SC..Hα-helixtrans-63.2-41.8176.8-71.1-177.4-175.9-157.44111.7E333 L365 E379 L380 D386 C387E333-R383 IonicContact OE1-CZ 3.81Å; E333-R383 IonicContact OE1-NH1 3.05Å; E333-R383 PolarHBondContact OE1-NH1 3.42Å; E333-R383 IonicContact OE1-NH2 3.26Å; L365-R383 HydrophobicContact CD1-CB 4.42Å; E379-R383 WeakPolarHBondContact O-CG 3.41Å; E379-R383 PolarHBondContact O-N 3.13Å; E379-R383 IonicContact OE1-CZ 2.75Å; E379-R383 VanDerWaalsContact OE1-CZ 3.29Å; E379-R383 IonicContact OE1-NE 3.57Å; E379-R383 PolarHBondContact OE1-NE 3.07Å; E379-R383 IonicContact OE1-NH2 3.93Å; E379-R383 PolarHBondContact OE1-NH2 3.46Å; L380-R383 PolarHBondContact O-N 2.83Å; R383-D386 PolarHBondContact O-N 3.1Å; R383-C387 PolarHBondContact O-N 3.04Å; R383-C387 PolarHBondContact O-SG 2.86Å
384L92Very high87.9Confident10 Ų1038.3 Ų38.35%0.05221%0.206CC..Hα-helixtrans-60.7-48.6174.3177.259.8000110.8I362 L365 R366 L380 D386 C387 L388 I400I362-L384 HydrophobicContact CG2-CD1 4.18Å; L365-L384 HydrophobicContact CB-CB 4.27Å; L365-L384 HydrophobicContact CB-CD1 3.92Å; R366-L384 HydrophobicContact CG-CD1 3.92Å; R366-L384 HydrophobicContact CG-CD2 4.28Å; L380-L384 WeakPolarHBondContact O-CB 3.4Å; L380-L384 PolarHBondContact O-N 2.89Å; L384-D386 VanDerWaalsContact C-N 3.34Å; L384-D386 PolarHBondContact O-N 3.04Å; L384-C387 PolarHBondContact O-N 2.88Å; L384-L388 HydrophobicContact CD1-CD1 3.97Å; L384-L388 HydrophobicContact CD1-CG 4.02Å; L384-L388 HydrophobicContact CG-CD1 3.82Å; L384-L388 HydrophobicContact CG-CG 4.33Å; L384-L388 WeakPolarHBondContact O-CB 3.41Å; L384-L388 VanDerWaalsContact O-CG 3.25Å; L384-L388 WeakPolarHBondContact O-CG 3.44Å; L384-L388 PolarHBondContact O-N 3.17Å; L384-I400 HydrophobicContact CD2-CD1 4.1Å; L384-I400 HydrophobicContact CG-CD1 4.27Å
385A93Very high88.9Confident0 Ų039.5 Ų39.50%020%0.204CC..Hα-helixtrans-61.5-38.8177.900000113R381 V382 L389 I400 C401 L420R381-A385 WeakPolarHBondContact O-CB 3.2Å; R381-A385 PolarHBondContact O-N 3.48Å; V382-A385 PolarHBondContact O-N 3.03Å; A385-L389 VanDerWaalsContact O-CB 3.28Å; A385-L389 WeakPolarHBondContact O-CB 3.13Å; A385-L389 PolarHBondContact O-N 3.41Å; A385-I400 HydrophobicContact CB-CB 4.32Å; A385-I400 HydrophobicContact CB-CG2 4.05Å; A385-C401 VanDerWaalsContact CB-SG 3.57Å; A385-L420 HydrophobicContact CB-CD1 4.36Å
386D92.8Very high89.7Confident21 Ų2141.6 Ų41.611%0.11221%0.205CC..Hα-helixtrans-62.8-46174.2-162.418.1000111V382 R383 L384 L389 L390 L420 R454V382-D386 PolarHBondContact O-N 3.5Å; R383-D386 PolarHBondContact O-N 3.1Å; L384-D386 VanDerWaalsContact C-N 3.34Å; L384-D386 PolarHBondContact O-N 3.04Å; D386-L389 WeakPolarHBondContact O-CB 3.46Å; D386-L389 PolarHBondContact O-N 2.73Å; D386-L390 VanDerWaalsContact O-CG 3.22Å; D386-L390 WeakPolarHBondContact O-CG 3.49Å; D386-L390 PolarHBondContact O-N 3.02Å; D386-L420 HydrophobicContact CB-CD1 4.11Å; D386-L420 HydrophobicContact CB-CD2 4.03Å; D386-L420 WeakPolarHBondContact OD1-CD2 3.45Å; D386-R454 VanDerWaalsContact CG-NH1 3.27Å; D386-R454 IonicContact OD1-CZ 3.39Å; D386-R454 IonicContact OD1-NH1 2.73Å; D386-R454 PolarHBondContact OD1-NH1 3.34Å; D386-R454 IonicContact OD2-CZ 3.65Å; D386-R454 IonicContact OD2-NH1 3.38Å; D386-R454 PolarHBondContact OD2-NH1 3.06Å; D386-R454 IonicContact OD2-NH2 2.75Å
387C93.6Very high90.4Very high2 Ų241.4 Ų41.41%0.01420%0.203CC..Hα-helixtrans-65.1-42.5178.7-63.30000112.5I362 L365 R383 L384 L389 L390 R391I362-C387 HydrophobicContact CD1-CB 4.43Å; I362-C387 HydrophobicContact CG1-CB 3.78Å; L365-C387 HydrophobicContact CD1-CB 4.33Å; R383-C387 PolarHBondContact O-N 3.04Å; R383-C387 PolarHBondContact O-SG 2.86Å; L384-C387 PolarHBondContact O-N 2.88Å; C387-L389 VanDerWaalsContact C-N 3.33Å; C387-L389 PolarHBondContact O-N 3.22Å; C387-L390 PolarHBondContact O-N 3.46Å; C387-R391 WeakPolarHBondContact O-CB 3.27Å; C387-R391 PolarHBondContact O-N 3.36Å
388L92.8Very high90.9Very high0 Ų041.8 Ų41.80%020%0.196CC..Hα-helixtrans-61.2-42.6175.4-71.1169.8000111.5I362 R366 L384 R391 G392 E393 E396 A397 I400I362-L388 HydrophobicContact CD1-CD2 4.24Å; I362-L388 HydrophobicContact CG1-CD2 4.47Å; I362-L388 HydrophobicContact CG2-CD2 3.78Å; R366-L388 VanDerWaalsContact NH2-CD2 3.31Å; L384-L388 HydrophobicContact CD1-CD1 3.97Å; L384-L388 HydrophobicContact CD1-CG 4.02Å; L384-L388 HydrophobicContact CG-CD1 3.82Å; L384-L388 HydrophobicContact CG-CG 4.33Å; L384-L388 WeakPolarHBondContact O-CB 3.41Å; L384-L388 VanDerWaalsContact O-CG 3.25Å; L384-L388 WeakPolarHBondContact O-CG 3.44Å; L384-L388 PolarHBondContact O-N 3.17Å; L388-R391 PolarHBondContact O-N 2.87Å; L388-G392 PolarHBondContact O-N 3.3Å; L388-G392 VanDerWaalsContact O-N 3.12Å; L388-E393 HydrophobicContact CB-CB 4.28Å; L388-E393 HydrophobicContact CD2-CB 4.12Å; L388-E393 WeakPolarHBondContact CD2-OE2 3.41Å; L388-E393 PolarHBondContact O-N 3Å; L388-E396 HydrophobicContact CD1-CB 4.41Å; L388-E396 HydrophobicContact CD1-CG 3.95Å; L388-A397 HydrophobicContact CB-CB 4.08Å; L388-I400 HydrophobicContact CD1-CD1 3.61Å
389L92.5Very high91.2Very high4 Ų443.2 Ų43.22%0.02121%0.21CC..Hα-helixtrans-61.3-46.7175.8-178.270.1000111.4A385 D386 C387 R391 G392 A397 L420 A424 L427 L494A385-L389 VanDerWaalsContact O-CB 3.28Å; A385-L389 WeakPolarHBondContact O-CB 3.13Å; A385-L389 PolarHBondContact O-N 3.41Å; D386-L389 WeakPolarHBondContact O-CB 3.46Å; D386-L389 PolarHBondContact O-N 2.73Å; C387-L389 VanDerWaalsContact C-N 3.33Å; C387-L389 PolarHBondContact O-N 3.22Å; L389-R391 VanDerWaalsContact C-N 3.29Å; L389-R391 PolarHBondContact O-N 3.13Å; L389-G392 PolarHBondContact O-N 3.31Å; L389-A397 HydrophobicContact CB-CB 4.16Å; L389-L420 HydrophobicContact CD2-CD2 3.58Å; L389-A424 HydrophobicContact CD1-CB 4Å; L389-L427 HydrophobicContact CD1-CD1 3.96Å; L389-L494 HydrophobicContact CD2-CD2 3.73Å; L389-L494 HydrophobicContact CG-CD2 3.86Å
390L91.4Very high91.3Very high24 Ų2440.5 Ų40.513%0.12620%0.198CC..Hα-helixtrans-64.4-31.4177.6-68.1168.8000112.7F339 L358 D386 C387 C493 L494F339-L390 HydrophobicContact CE1-CD1 3.99Å; F339-L390 HydrophobicContact CE1-CD2 4.43Å; F339-L390 HydrophobicContact CZ-CB 4.47Å; L358-L390 HydrophobicContact CD1-CB 3.63Å; D386-L390 VanDerWaalsContact O-CG 3.22Å; D386-L390 WeakPolarHBondContact O-CG 3.49Å; D386-L390 PolarHBondContact O-N 3.02Å; C387-L390 PolarHBondContact O-N 3.46Å; L390-C493 HydrophobicContact CD2-CB 3.47Å; L390-C493 VanDerWaalsContact CD2-CB 3.47Å; L390-L494 HydrophobicContact CD2-CD2 3.83Å; L390-L494 HydrophobicContact CD2-CG 4.14Å
391R91.3Very high91.3Very high83 Ų8339.8 Ų39.831%0.31319%0.194SC..Hα-helixtrans-74.1-31.5178.2-178.655.5176.7115.1-15.8113.7L358 D359 I362 C387 L388 L389L358-R391 HydrophobicContact CD1-CB 4.29Å; D359-R391 IonicContact OD1-CZ 3.56Å; D359-R391 IonicContact OD1-NE 3.36Å; D359-R391 PolarHBondContact OD1-NE 2.81Å; D359-R391 IonicContact OD1-NH2 3.15Å; D359-R391 PolarHBondContact OD1-NH2 2.83Å; D359-R391 IonicContact OD2-CZ 2.84Å; D359-R391 IonicContact OD2-NE 2.72Å; D359-R391 IonicContact OD2-NH2 3.17Å; D359-R391 PolarHBondContact OD2-NH2 3.47Å; I362-R391 HydrophobicContact CD1-CB 3.59Å; I362-R391 HydrophobicContact CD1-CG 3.79Å; C387-R391 WeakPolarHBondContact O-CB 3.27Å; C387-R391 PolarHBondContact O-N 3.36Å; L388-R391 PolarHBondContact O-N 2.87Å; L389-R391 VanDerWaalsContact C-N 3.29Å; L389-R391 PolarHBondContact O-N 3.13Å
392G88.5Confident91.3Very high39 Ų3939.5 Ų39.540%0.40220%0.202SC..THydrogen-bonded Turntrans121.1-2.3-175.600000114.9L388 L389 H394L388-G392 PolarHBondContact O-N 3.3Å; L388-G392 VanDerWaalsContact O-N 3.12Å; L389-G392 PolarHBondContact O-N 3.31Å; G392-H394 VanDerWaalsContact C-N 3.26Å; G392-H394 VanDerWaalsContact CA-CE1 3.43Å; G392-H394 WeakPolarHBondContact CA-CE1 3.34Å; G392-H394 PolarHBondContact O-CD2 2.91Å; G392-H394 PolarHBondContact O-CE1 3.33Å; G392-H394 PolarHBondContact O-N 2.88Å; G392-H394 PolarHBondContact O-NE2 3.09Å
393E91Very high91.2Very high72 Ų7244.1 Ų44.134%0.33622%0.223SC..  trans-86.660-175.2-65.7-175.5-163.900111.5R366 L388 K395 E396 A397R366-E393 IonicContact CZ-OE2 2.68Å; R366-E393 IonicContact NH2-OE2 2.93Å; R366-E393 PolarHBondContact NH2-OE2 3.03Å; L388-E393 HydrophobicContact CB-CB 4.28Å; L388-E393 HydrophobicContact CD2-CB 4.12Å; L388-E393 WeakPolarHBondContact CD2-OE2 3.41Å; L388-E393 PolarHBondContact O-N 3Å; E393-K395 VanDerWaalsContact C-N 3.32Å; E393-K395 PolarHBondContact O-N 3.27Å; E393-E396 PolarHBondContact O-N 3.14Å; E393-A397 PolarHBondContact O-N 3.46Å; E393-A397 VanDerWaalsContact O-N 3.1Å
394H91.5Very high91Very high48 Ų4840.2 Ų40.222%0.22221%0.209CC..Hα-helixtrans-62.5-34.2-168.7-46.4-42000114G392 L398 L427G392-H394 VanDerWaalsContact C-N 3.26Å; G392-H394 VanDerWaalsContact CA-CE1 3.43Å; G392-H394 WeakPolarHBondContact CA-CE1 3.34Å; G392-H394 PolarHBondContact O-CD2 2.91Å; G392-H394 PolarHBondContact O-CE1 3.33Å; G392-H394 PolarHBondContact O-N 2.88Å; G392-H394 PolarHBondContact O-NE2 3.09Å; H394-L398 VanDerWaalsContact O-CB 3.29Å; H394-L398 WeakPolarHBondContact O-CB 3.3Å; H394-L398 PolarHBondContact O-N 3.49Å; H394-L427 HydrophobicContact CB-CB 4.4Å; H394-L427 WeakPolarHBondContact CE1-CD1 3.4Å
395K89.9Confident90.7Very high176 Ų17642.8 Ų42.877%0.76523%0.231SC*.Hα-helixtrans-70-41.9-178.8-66.2-178.4-179.8177.50112.2E393 L398 S399E393-K395 VanDerWaalsContact C-N 3.32Å; E393-K395 PolarHBondContact O-N 3.27Å; K395-L398 PolarHBondContact O-N 2.93Å; K395-S399 PolarHBondContact O-N 3.46Å
396E90.9Very high90.3Very high76 Ų7646.4 Ų46.436%0.35526%0.261SS..Hα-helixtrans-69.5-44.8177.4-170.1177.1151.100110.4R366 L388 E393 L398 S399 I400R366-E396 IonicContact CZ-OE1 2.73Å; R366-E396 IonicContact NE-OE1 3.66Å; R366-E396 PolarHBondContact NE-OE1 2.82Å; R366-E396 VanDerWaalsContact NH2-CD 3.25Å; R366-E396 IonicContact NH2-OE1 3.1Å; R366-E396 PolarHBondContact NH2-OE1 3.45Å; R366-E396 IonicContact NH2-OE2 3.54Å; R366-E396 PolarHBondContact NH2-OE2 2.98Å; L388-E396 HydrophobicContact CD1-CB 4.41Å; L388-E396 HydrophobicContact CD1-CG 3.95Å; E393-E396 PolarHBondContact O-N 3.14Å; E396-L398 VanDerWaalsContact C-N 3.31Å; E396-L398 PolarHBondContact O-N 3.39Å; E396-S399 WeakPolarHBondContact O-CB 3.5Å; E396-S399 PolarHBondContact O-N 3.46Å; E396-S399 VanDerWaalsContact O-N 3.13Å; E396-I400 HydrophobicContact CG-CD1 4.28Å; E396-I400 WeakPolarHBondContact O-CG1 3.38Å; E396-I400 PolarHBondContact O-N 3.18Å
397A92.8Very high89.7Confident1 Ų148.3 Ų48.31%0.00828%0.279CS..Hα-helixtrans-56.1-45173.400000111.8L388 L389 E393 S399 I400 C401L388-A397 HydrophobicContact CB-CB 4.08Å; L389-A397 HydrophobicContact CB-CB 4.16Å; E393-A397 PolarHBondContact O-N 3.46Å; E393-A397 VanDerWaalsContact O-N 3.1Å; A397-S399 PolarHBondContact O-N 3.41Å; A397-I400 PolarHBondContact O-N 3.42Å; A397-C401 WeakPolarHBondContact O-CB 3.39Å; A397-C401 PolarHBondContact O-N 2.98Å; A397-C401 PolarHBondContact O-SG 2.95Å
398L91.9Very high88Confident46 Ų4657.5 Ų57.524%0.24132%0.322CS..Hα-helixtrans-62.6-41.6176.4-174.761.8000112.1H394 K395 E396 C401 S402 A424 R425H394-L398 VanDerWaalsContact O-CB 3.29Å; H394-L398 WeakPolarHBondContact O-CB 3.3Å; H394-L398 PolarHBondContact O-N 3.49Å; K395-L398 PolarHBondContact O-N 2.93Å; E396-L398 VanDerWaalsContact C-N 3.31Å; E396-L398 PolarHBondContact O-N 3.39Å; L398-C401 PolarHBondContact O-N 3.18Å; L398-S402 VanDerWaalsContact O-CB 3.26Å; L398-S402 WeakPolarHBondContact O-CB 3.44Å; L398-S402 PolarHBondContact O-N 3.35Å; L398-S402 PolarHBondContact O-OG 3.06Å; L398-A424 HydrophobicContact CB-CB 3.87Å; L398-A424 HydrophobicContact CD1-CB 4.11Å; L398-R425 HydrophobicContact CD1-CG 3.9Å; L398-R425 HydrophobicContact CD2-CG 4.43Å
399S92.1Very high86.5Confident56 Ų5661.5 Ų61.539%0.39236%0.363SS..Hα-helixtrans-59.1-51.2176.9-172.20000110.9K395 E396 A397 C401 S402 Q403K395-S399 PolarHBondContact O-N 3.46Å; E396-S399 WeakPolarHBondContact O-CB 3.5Å; E396-S399 PolarHBondContact O-N 3.46Å; E396-S399 VanDerWaalsContact O-N 3.13Å; A397-S399 PolarHBondContact O-N 3.41Å; S399-C401 PolarHBondContact O-N 2.79Å; S399-S402 PolarHBondContact O-N 3.39Å; S399-S402 PolarHBondContact O-OG 3.15Å; S399-Q403 WeakPolarHBondContact O-CG 3.39Å; S399-Q403 PolarHBondContact O-N 3.01Å
400I89.6Confident85Confident19 Ų1967.6 Ų67.610%0.09739%0.392CS..Hα-helixtrans-61-48.2178.3-63.4168.6000110.6R381 L384 A385 L388 E396 A397 S402 Q403 L404R381-I400 HydrophobicContact CB-CG2 4.16Å; L384-I400 HydrophobicContact CD2-CD1 4.1Å; L384-I400 HydrophobicContact CG-CD1 4.27Å; A385-I400 HydrophobicContact CB-CB 4.32Å; A385-I400 HydrophobicContact CB-CG2 4.05Å; L388-I400 HydrophobicContact CD1-CD1 3.61Å; E396-I400 HydrophobicContact CG-CD1 4.28Å; E396-I400 WeakPolarHBondContact O-CG1 3.38Å; E396-I400 PolarHBondContact O-N 3.18Å; A397-I400 PolarHBondContact O-N 3.42Å; I400-S402 VanDerWaalsContact C-N 3.33Å; I400-S402 PolarHBondContact O-N 3.26Å; I400-Q403 PolarHBondContact O-N 3.3Å; I400-L404 HydrophobicContact CG2-CD1 4.03Å; I400-L404 HydrophobicContact CG2-CG 4.4Å; I400-L404 VanDerWaalsContact O-CG 3.3Å; I400-L404 WeakPolarHBondContact O-CG 3.26Å; I400-L404 PolarHBondContact O-N 3.37Å
401C89.6Confident83.9Confident1 Ų173.9 Ų73.91%0.00742%0.421CS..Hα-helixtrans-64.5-35.9-179.7-65.40000112.7A385 A397 L398 S399 L404 A405 V417 C421A385-C401 VanDerWaalsContact CB-SG 3.57Å; A397-C401 WeakPolarHBondContact O-CB 3.39Å; A397-C401 PolarHBondContact O-N 2.98Å; A397-C401 PolarHBondContact O-SG 2.95Å; L398-C401 PolarHBondContact O-N 3.18Å; S399-C401 PolarHBondContact O-N 2.79Å; C401-L404 PolarHBondContact O-N 2.88Å; C401-A405 VanDerWaalsContact O-CB 3.32Å; C401-A405 WeakPolarHBondContact O-CB 3.35Å; C401-A405 PolarHBondContact O-N 3.48Å; C401-V417 HydrophobicContact CB-CG1 4.17Å; C401-V417 WeakPolarHBondContact O-CG1 3.43Å; C401-C421 WeakPolarHBondContact CB-SG 3.5Å
402S88.8Confident83.1Confident58 Ų5872.7 Ų72.741%0.40643%0.425SS..Hα-helixtrans-66.1-40.2176.172.20000112.4L398 S399 I400 A405 A406L398-S402 VanDerWaalsContact O-CB 3.26Å; L398-S402 WeakPolarHBondContact O-CB 3.44Å; L398-S402 PolarHBondContact O-N 3.35Å; L398-S402 PolarHBondContact O-OG 3.06Å; S399-S402 PolarHBondContact O-N 3.39Å; S399-S402 PolarHBondContact O-OG 3.15Å; I400-S402 VanDerWaalsContact C-N 3.33Å; I400-S402 PolarHBondContact O-N 3.26Å; S402-A405 PolarHBondContact O-N 3.44Å; S402-A406 WeakPolarHBondContact O-CB 3.45Å; S402-A406 PolarHBondContact O-N 3.34Å
403Q88.1Confident82.7Confident105 Ų10575.5 Ų75.549%0.49142%0.424SS..Hα-helixtrans-63.4-42.9173.6-68.5171.78.900111.2S399 I400 A405 A406 A407S399-Q403 WeakPolarHBondContact O-CG 3.39Å; S399-Q403 PolarHBondContact O-N 3.01Å; I400-Q403 PolarHBondContact O-N 3.3Å; Q403-A405 VanDerWaalsContact C-N 3.32Å; Q403-A405 PolarHBondContact O-N 2.94Å; Q403-A406 PolarHBondContact O-N 3.34Å; Q403-A407 PolarHBondContact O-N 3.24Å; Q403-A407 VanDerWaalsContact O-N 3.15Å
404L87.5Confident82.5Confident4 Ų475 Ų752%0.02142%0.422CS..Hα-helixtrans-68.3-29.4176.8-68.3178.3000113.2R378 R381 V382 I400 C401 V417R378-L404 HydrophobicContact CG-CD2 4.2Å; R378-L404 PolarHBondContact NH2-O 2.75Å; R381-L404 HydrophobicContact CB-CD1 3.98Å; R381-L404 HydrophobicContact CB-CD2 4.22Å; V382-L404 HydrophobicContact CG2-CD1 3.76Å; I400-L404 HydrophobicContact CG2-CD1 4.03Å; I400-L404 HydrophobicContact CG2-CG 4.4Å; I400-L404 VanDerWaalsContact O-CG 3.3Å; I400-L404 WeakPolarHBondContact O-CG 3.26Å; I400-L404 PolarHBondContact O-N 3.37Å; C401-L404 PolarHBondContact O-N 2.88Å; L404-V417 HydrophobicContact CB-CG1 4.17Å; L404-V417 HydrophobicContact CB-CG2 4.26Å; L404-V417 HydrophobicContact CD1-CG2 4.33Å
405A85.3Confident82.3Confident64 Ų6473.4 Ų73.453%0.52942%0.415SS..Hα-helixtrans-77.3-32.5175.400000112.4C401 S402 Q403 V417C401-A405 VanDerWaalsContact O-CB 3.32Å; C401-A405 WeakPolarHBondContact O-CB 3.35Å; C401-A405 PolarHBondContact O-N 3.48Å; S402-A405 PolarHBondContact O-N 3.44Å; Q403-A405 VanDerWaalsContact C-N 3.32Å; Q403-A405 PolarHBondContact O-N 2.94Å; A405-V417 HydrophobicContact CB-CG1 4.24Å
406A83.8Confident82.3Confident75 Ų7566.2 Ų66.262%0.6239%0.386SS*.Hα-helixtrans-79.4-22.1178.800000113.9S402 Q403 Q408S402-A406 WeakPolarHBondContact O-CB 3.45Å; S402-A406 PolarHBondContact O-N 3.34Å; Q403-A406 PolarHBondContact O-N 3.34Å; A406-Q408 PolarHBondContact O-N 3.4Å; A406-Q408 VanDerWaalsContact O-N 3.11Å
407A80.9Confident82.3Confident61 Ų6162.8 Ų62.850%0.50437%0.37SS..  trans-63109.917900000111.8Q403Q403-A407 PolarHBondContact O-N 3.24Å; Q403-A407 VanDerWaalsContact O-N 3.15Å
408Q57.8Low82.2Confident196 Ų19665.6 Ų65.692%0.91638%0.382SS*.THydrogen-bonded Turntrans-73.3136.9-179.7-65.8-177.1-7.300111.6A406A406-Q408 PolarHBondContact O-N 3.4Å; A406-Q408 VanDerWaalsContact O-N 3.11Å
409G61.6Low82.4Confident83 Ų8363.5 Ų63.586%0.85637%0.371SS*.THydrogen-bonded Turntrans109.6-8.9165.700000118
410Q60.9Low82.4Confident132 Ų13260.9 Ų60.962%0.61735%0.353SS*.  trans-126129.8176.1-68.4-177-8.200111.2R378R378-Q410 PolarHBondContact NH1-O 2.94Å
411Q67.7Low82.6Confident157 Ų15760.3 Ų60.373%0.73435%0.35SS*.  trans-101.8-1.6178.6-65.9-163.3-6.500114.1Q414Q411-Q414 WeakPolarHBondContact O-CB 3.33Å; Q411-Q414 PolarHBondContact O-N 3.24Å
412S74.9Confident82.8Confident58 Ų5860.3 Ų60.341%0.40635%0.35SS..THydrogen-bonded Turntrans-62.4137.917954.10000111.4R378 Q414R378-S412 WeakPolarHBondContact CD-O 3.34Å; R378-S412 PolarHBondContact NE-O 3.25Å; R378-S412 PolarHBondContact NH1-O 2.61Å; R378-S412 PolarHBondContact NH2-O 3.29Å; S412-Q414 PolarHBondContact O-N 2.86Å
413Y80.8Confident83.1Confident97 Ų9757.5 Ų57.538%0.3833%0.331SS..THydrogen-bonded Turntrans5814.3-178.5-57.4-81.2000116.1E379 N415 T416 V417E379-Y413 HydrophobicContact CB-CE2 3.93Å; E379-Y413 HydrophobicContact CG-CE2 4.21Å; E379-Y413 PolarHBondContact OE2-OH 3.05Å; Y413-N415 VanDerWaalsContact C-N 3.28Å; Y413-N415 PolarHBondContact O-N 2.98Å; Y413-T416 WeakPolarHBondContact O-CB 3.48Å; Y413-T416 PolarHBondContact O-N 3.3Å; Y413-V417 WeakPolarHBondContact O-CG2 3.48Å; Y413-V417 PolarHBondContact O-N 3.34Å
414Q85.9Confident83.4Confident62 Ų6252.5 Ų52.529%0.2931%0.307SS..Hα-helixtrans-55.8-41.4-177.3-174.81735.900112.8Q411 S412 V417 K418Q411-Q414 WeakPolarHBondContact O-CB 3.33Å; Q411-Q414 PolarHBondContact O-N 3.24Å; S412-Q414 PolarHBondContact O-N 2.86Å; Q414-V417 PolarHBondContact O-N 3.12Å; Q414-K418 WeakPolarHBondContact O-CG 3.39Å; Q414-K418 PolarHBondContact O-N 3.43Å
415N88.1Confident83.7Confident14 Ų1455.9 Ų55.98%0.07532%0.32CS..Hα-helixtrans-64.3-42.6176-67.4-36.2000112.2Y413 K418 V419 V441 H444 T446 P447Y413-N415 VanDerWaalsContact C-N 3.28Å; Y413-N415 PolarHBondContact O-N 2.98Å; N415-K418 PolarHBondContact O-N 2.73Å; N415-V419 VanDerWaalsContact O-CG2 3.31Å; N415-V419 WeakPolarHBondContact O-CG2 3.3Å; N415-V419 PolarHBondContact O-N 3.41Å; N415-V441 HydrophobicContact CB-CG1 4.39Å; N415-H444 PolarHBondContact ND2-ND1 2.61Å; N415-H444 PolarHBondContact OD1-CD2 3.36Å; N415-H444 VanDerWaalsContact OD1-CD2 3.22Å; N415-T446 PolarHBondContact ND2-O 3.16Å; N415-P447 WeakPolarHBondContact ND2-CA 3.4Å
416T89.6Confident84.1Confident26 Ų2653.2 Ų53.216%0.1630%0.296CS..Hα-helixtrans-64.3-44.3177.1-49.40000111.2V382 Y413 K418 V419 L420 S451V382-T416 HydrophobicContact CG1-CG2 3.8Å; Y413-T416 WeakPolarHBondContact O-CB 3.48Å; Y413-T416 PolarHBondContact O-N 3.3Å; T416-K418 PolarHBondContact O-N 3.08Å; T416-V419 PolarHBondContact O-N 3.48Å; T416-L420 HydrophobicContact CG2-CD1 4.29Å; T416-L420 VanDerWaalsContact O-CG 3.28Å; T416-L420 WeakPolarHBondContact O-CG 3.19Å; T416-L420 PolarHBondContact O-N 3.5Å; T416-S451 PolarHBondContact OG1-OG 3.01Å
417V91.1Very high84.5Confident3 Ų351.8 Ų51.82%0.01828%0.278CS..Hα-helixtrans-59.7-46.8176.1174.90000111.1V382 C401 L404 A405 Y413 Q414 V419 L420 C421V382-V417 HydrophobicContact CG2-CG2 3.67Å; C401-V417 HydrophobicContact CB-CG1 4.17Å; C401-V417 WeakPolarHBondContact O-CG1 3.43Å; L404-V417 HydrophobicContact CB-CG1 4.17Å; L404-V417 HydrophobicContact CB-CG2 4.26Å; L404-V417 HydrophobicContact CD1-CG2 4.33Å; A405-V417 HydrophobicContact CB-CG1 4.24Å; Y413-V417 WeakPolarHBondContact O-CG2 3.48Å; Y413-V417 PolarHBondContact O-N 3.34Å; Q414-V417 PolarHBondContact O-N 3.12Å; V417-V419 PolarHBondContact O-N 2.99Å; V417-L420 PolarHBondContact O-N 3.26Å; V417-C421 PolarHBondContact O-N 3.08Å; V417-C421 PolarHBondContact O-SG 3.38Å
418K91.2Very high84.9Confident60 Ų6051.8 Ų51.826%0.26128%0.275SS..Hα-helixtrans-61.5-41.7178.2-76.8-169.5176.4-170.80112.7Q414 N415 T416 C421 G422 A440 V441Q414-K418 WeakPolarHBondContact O-CG 3.39Å; Q414-K418 PolarHBondContact O-N 3.43Å; N415-K418 PolarHBondContact O-N 2.73Å; T416-K418 PolarHBondContact O-N 3.08Å; K418-C421 WeakPolarHBondContact O-CB 3.43Å; K418-C421 PolarHBondContact O-N 3.21Å; K418-G422 PolarHBondContact O-N 3.2Å; K418-A440 HydrophobicContact CD-CB 4.07Å; K418-V441 HydrophobicContact CB-CG2 3.57Å; K418-V441 HydrophobicContact CD-CG2 4.49Å
419V94.1Very high86.4Confident2 Ų244.5 Ų44.51%0.01225%0.252CS..Hα-helixtrans-62.8-44.1175.7172.10000111.8N415 T416 V417 G422 Y423 V441 S451 R454 A455N415-V419 VanDerWaalsContact O-CG2 3.31Å; N415-V419 WeakPolarHBondContact O-CG2 3.3Å; N415-V419 PolarHBondContact O-N 3.41Å; T416-V419 PolarHBondContact O-N 3.48Å; V417-V419 PolarHBondContact O-N 2.99Å; V419-G422 PolarHBondContact O-N 3.48Å; V419-Y423 HydrophobicContact CG1-CD2 3.92Å; V419-Y423 HydrophobicContact CG1-CE2 4Å; V419-Y423 WeakPolarHBondContact O-CD2 3.34Å; V419-Y423 PolarHBondContact O-N 3.26Å; V419-V441 HydrophobicContact CG2-CB 4.13Å; V419-V441 HydrophobicContact CG2-CG1 3.76Å; V419-V441 HydrophobicContact CG2-CG2 3.56Å; V419-S451 VanDerWaalsContact CG2-O 3.3Å; V419-S451 WeakPolarHBondContact CG2-O 3.37Å; V419-R454 HydrophobicContact CG1-CB 3.47Å; V419-R454 VanDerWaalsContact CG1-CB 3.47Å; V419-R454 HydrophobicContact CG1-CG 4.46Å; V419-A455 HydrophobicContact CG2-CB 4.06Å
420L93.8Very high87.9Confident2 Ų244 Ų441%0.0123%0.23CC..Hα-helixtrans-63.9-41.3177.8-66.2175.6000111.4V382 A385 D386 L389 T416 V417 G422 Y423 A424V382-L420 HydrophobicContact CG1-CD1 4.12Å; A385-L420 HydrophobicContact CB-CD1 4.36Å; D386-L420 HydrophobicContact CB-CD1 4.11Å; D386-L420 HydrophobicContact CB-CD2 4.03Å; D386-L420 WeakPolarHBondContact OD1-CD2 3.45Å; L389-L420 HydrophobicContact CD2-CD2 3.58Å; T416-L420 HydrophobicContact CG2-CD1 4.29Å; T416-L420 VanDerWaalsContact O-CG 3.28Å; T416-L420 WeakPolarHBondContact O-CG 3.19Å; T416-L420 PolarHBondContact O-N 3.5Å; V417-L420 PolarHBondContact O-N 3.26Å; L420-G422 VanDerWaalsContact C-N 3.34Å; L420-G422 PolarHBondContact O-N 3.34Å; L420-Y423 PolarHBondContact O-N 3.08Å; L420-A424 VanDerWaalsContact O-CB 3.29Å; L420-A424 WeakPolarHBondContact O-CB 3.33Å; L420-A424 PolarHBondContact O-N 3.45Å
421C93.3Very high89.4Confident7 Ų743.7 Ų43.75%0.04722%0.224CC..Hα-helixtrans-55.1-49.1169.3-75.40000111.4C401 V417 K418 Y423 A424 R425 D437C401-C421 WeakPolarHBondContact CB-SG 3.5Å; V417-C421 PolarHBondContact O-N 3.08Å; V417-C421 PolarHBondContact O-SG 3.38Å; K418-C421 WeakPolarHBondContact O-CB 3.43Å; K418-C421 PolarHBondContact O-N 3.21Å; C421-Y423 PolarHBondContact O-N 2.89Å; C421-A424 PolarHBondContact O-N 2.88Å; C421-R425 WeakPolarHBondContact O-CB 3.47Å; C421-R425 WeakPolarHBondContact O-CG 3.45Å; C421-R425 PolarHBondContact O-N 2.73Å; C421-D437 WeakPolarHBondContact CB-OD2 3.42Å
422G94.7Very high90.6Very high0 Ų044.3 Ų44.30%022%0.224CC..Hα-helixtrans-58.4-45.4-178.400000112.5K418 V419 L420 L426 A434 D437 F438K418-G422 PolarHBondContact O-N 3.2Å; V419-G422 PolarHBondContact O-N 3.48Å; L420-G422 VanDerWaalsContact C-N 3.34Å; L420-G422 PolarHBondContact O-N 3.34Å; G422-L426 VanDerWaalsContact O-CB 3.29Å; G422-L426 WeakPolarHBondContact O-CB 3.35Å; G422-L426 PolarHBondContact O-N 3.02Å; G422-A434 WeakPolarHBondContact O-CB 3.3Å; G422-D437 PolarHBondContact N-OD2 2.94Å; G422-F438 VanDerWaalsContact C-CZ 3.48Å
423Y94.9Very high91.4Very high0 Ų041.9 Ų41.90%021%0.208CC..Hα-helixtrans-69.7-39.7175.1-84.6-76.5000113.2V419 L420 C421 R425 L426 L427 F438 R454 C457 G458 T490 L494V419-Y423 HydrophobicContact CG1-CD2 3.92Å; V419-Y423 HydrophobicContact CG1-CE2 4Å; V419-Y423 WeakPolarHBondContact O-CD2 3.34Å; V419-Y423 PolarHBondContact O-N 3.26Å; L420-Y423 PolarHBondContact O-N 3.08Å; C421-Y423 PolarHBondContact O-N 2.89Å; Y423-R425 VanDerWaalsContact C-N 3.31Å; Y423-R425 PolarHBondContact O-N 2.97Å; Y423-L426 PolarHBondContact O-N 3.22Å; Y423-L427 WeakPolarHBondContact O-CB 3.43Å; Y423-L427 VanDerWaalsContact O-CG 3.26Å; Y423-L427 WeakPolarHBondContact O-CG 3.38Å; Y423-L427 PolarHBondContact O-N 3.1Å; Y423-F438 HydrophobicContact CD1-CZ 4.23Å; Y423-F438 AromaticContact CD2-CE1 3.59Å; Y423-F438 HydrophobicContact CD2-CE1 3.59Å; Y423-F438 AromaticContact CD2-CZ 3.77Å; Y423-F438 HydrophobicContact CD2-CZ 3.77Å; Y423-F438 HydrophobicContact CE1-CZ 4.35Å; Y423-F438 AromaticContact CE2-CE1 3.63Å; Y423-F438 HydrophobicContact CE2-CE1 3.63Å; Y423-F438 AromaticContact CE2-CZ 3.87Å; Y423-F438 HydrophobicContact CE2-CZ 3.87Å; Y423-F438 HydrophobicContact CG-CE1 4.22Å; Y423-F438 AromaticContact CG-CZ 3.96Å; Y423-F438 HydrophobicContact CG-CZ 3.96Å; Y423-R454 HydrophobicContact CE2-CB 4.02Å; Y423-R454 VanDerWaalsContact CE2-O 3.25Å; Y423-R454 WeakPolarHBondContact CE2-O 3.32Å; Y423-R454 PolarHBondContact OH-O 3.45Å; Y423-C457 WeakPolarHBondContact OH-CB 3.42Å; Y423-G458 WeakPolarHBondContact OH-CA 3.22Å; Y423-G458 PolarHBondContact OH-N 3.49Å; Y423-T490 WeakPolarHBondContact OH-CG2 3.44Å; Y423-L494 HydrophobicContact CD1-CB 3.75Å; Y423-L494 HydrophobicContact CD1-CD1 4.34Å; Y423-L494 HydrophobicContact CD1-CG 4.44Å; Y423-L494 HydrophobicContact CD2-CD1 4.03Å; Y423-L494 HydrophobicContact CE1-CB 3.54Å; Y423-L494 HydrophobicContact CE1-CD1 4.26Å; Y423-L494 HydrophobicContact CE1-CG 4.47Å; Y423-L494 HydrophobicContact CE2-CD1 3.97Å; Y423-L494 HydrophobicContact CG-CB 4.41Å; Y423-L494 HydrophobicContact CG-CD1 4.22Å
424A94.1Very high92.1Very high0 Ų037.2 Ų37.20%019%0.19CC..Hα-helixtrans-63.2-38.8177.400000111.6L389 L398 L420 C421 S428L389-A424 HydrophobicContact CD1-CB 4Å; L398-A424 HydrophobicContact CB-CB 3.87Å; L398-A424 HydrophobicContact CD1-CB 4.11Å; L420-A424 VanDerWaalsContact O-CB 3.29Å; L420-A424 WeakPolarHBondContact O-CB 3.33Å; L420-A424 PolarHBondContact O-N 3.45Å; C421-A424 PolarHBondContact O-N 2.88Å; A424-S428 VanDerWaalsContact O-CB 3.24Å; A424-S428 WeakPolarHBondContact O-CB 3.35Å; A424-S428 PolarHBondContact O-N 2.74Å; A424-S428 PolarHBondContact O-OG 2.88Å
425R94.2Very high92.5Very high75 Ų7537.1 Ų37.128%0.28319%0.191SC..Hα-helixtrans-67.1-45.6172.2-74.1-178.3-178.8162.1-6.8112.1L398 C421 Y423 L427 S428 G429 D430 A434 D437L398-R425 HydrophobicContact CD1-CG 3.9Å; L398-R425 HydrophobicContact CD2-CG 4.43Å; C421-R425 WeakPolarHBondContact O-CB 3.47Å; C421-R425 WeakPolarHBondContact O-CG 3.45Å; C421-R425 PolarHBondContact O-N 2.73Å; Y423-R425 VanDerWaalsContact C-N 3.31Å; Y423-R425 PolarHBondContact O-N 2.97Å; R425-L427 VanDerWaalsContact C-N 3.34Å; R425-L427 PolarHBondContact O-N 2.75Å; R425-S428 CarbonylContact O-C 3.48Å; R425-S428 PolarHBondContact O-N 2.9Å; R425-S428 VanDerWaalsContact O-N 3.12Å; R425-G429 PolarHBondContact O-N 3.34Å; R425-D430 HydrophobicContact CB-CB 4.18Å; R425-D430 PolarHBondContact O-N 3.42Å; R425-A434 HydrophobicContact CB-CB 4.09Å; R425-D437 WeakPolarHBondContact CD-OD2 3.29Å; R425-D437 IonicContact CZ-OD2 3.81Å; R425-D437 IonicContact NE-OD2 3.4Å; R425-D437 IonicContact NH1-OD1 3.22Å; R425-D437 PolarHBondContact NH1-OD1 3.4Å; R425-D437 IonicContact NH1-OD2 2.76Å; R425-D437 PolarHBondContact NH1-OD2 3.41Å
426L93.3Very high92.8Very high7 Ų742.3 Ų42.34%0.03722%0.215CC..Hα-helixtrans-56.4-48177.1-177.2152.4000111.2G422 Y423 S428 G429 A434 F438 L461 L462G422-L426 VanDerWaalsContact O-CB 3.29Å; G422-L426 WeakPolarHBondContact O-CB 3.35Å; G422-L426 PolarHBondContact O-N 3.02Å; Y423-L426 PolarHBondContact O-N 3.22Å; L426-S428 VanDerWaalsContact C-N 3.29Å; L426-S428 PolarHBondContact O-N 3.06Å; L426-G429 PolarHBondContact O-N 3.33Å; L426-A434 HydrophobicContact CB-CB 3.88Å; L426-F438 HydrophobicContact CD1-CE2 3.99Å; L426-F438 HydrophobicContact CD1-CZ 4.42Å; L426-L461 HydrophobicContact CD1-CD2 4.09Å; L426-L461 HydrophobicContact CD2-CD2 4Å; L426-L462 HydrophobicContact CD1-CD1 4.37Å; L426-L462 HydrophobicContact CD1-CD2 3.73Å; L426-L462 HydrophobicContact CD1-CG 3.8Å; L426-L462 HydrophobicContact CG-CD2 4.18Å
427L91.1Very high93Very high46 Ų4642.1 Ų42.124%0.24121%0.213CC..Hα-helixtrans-74.8-19.7-179.3-62.7171000112.7L389 H394 Y423 R425 P496L389-L427 HydrophobicContact CD1-CD1 3.96Å; H394-L427 HydrophobicContact CB-CB 4.4Å; H394-L427 WeakPolarHBondContact CE1-CD1 3.4Å; Y423-L427 WeakPolarHBondContact O-CB 3.43Å; Y423-L427 VanDerWaalsContact O-CG 3.26Å; Y423-L427 WeakPolarHBondContact O-CG 3.38Å; Y423-L427 PolarHBondContact O-N 3.1Å; R425-L427 VanDerWaalsContact C-N 3.34Å; R425-L427 PolarHBondContact O-N 2.75Å; L427-P496 HydrophobicContact CD2-CG 3.74Å
428S90.1Very high93.2Very high61 Ų6142 Ų4243%0.42721%0.212SC..Hα-helixtrans-88.1-3.7171.9-56.90000113.7A424 R425 L426A424-S428 VanDerWaalsContact O-CB 3.24Å; A424-S428 WeakPolarHBondContact O-CB 3.35Å; A424-S428 PolarHBondContact O-N 2.74Å; A424-S428 PolarHBondContact O-OG 2.88Å; R425-S428 CarbonylContact O-C 3.48Å; R425-S428 PolarHBondContact O-N 2.9Å; R425-S428 VanDerWaalsContact O-N 3.12Å; L426-S428 VanDerWaalsContact C-N 3.29Å; L426-S428 PolarHBondContact O-N 3.06Å
429G88.2Confident93.3Very high42 Ų4242.2 Ų42.243%0.43321%0.214SC..THydrogen-bonded Turntrans94.52.5177.300000116.3R425 L426 Y431R425-G429 PolarHBondContact O-N 3.34Å; L426-G429 PolarHBondContact O-N 3.33Å; G429-Y431 PolarHBondContact O-N 3.39Å
430D93.4Very high93.2Very high74 Ų7443.4 Ų43.440%0.39622%0.224SC..  trans-89.583174.217816.6000111R425 K432 G433 A434R425-D430 HydrophobicContact CB-CB 4.18Å; R425-D430 PolarHBondContact O-N 3.42Å; D430-K432 PolarHBondContact O-N 2.93Å; D430-K432 PolarHBondContact OD1-N 3.07Å; D430-G433 PolarHBondContact OD1-N 3.45Å; D430-A434 VanDerWaalsContact O-CB 3.27Å; D430-A434 WeakPolarHBondContact O-CB 3.36Å; D430-A434 PolarHBondContact O-N 3.3Å; D430-A434 VanDerWaalsContact O-N 3.17Å
431Y93.6Very high93.1Very high124 Ų12443.3 Ų43.349%0.48622%0.224SC..Hα-helixtrans-70.5-28.5-177.7-56-48000113.8G429 L435 L462 M465G429-Y431 PolarHBondContact O-N 3.39Å; Y431-L435 WeakPolarHBondContact O-CB 3.34Å; Y431-L435 PolarHBondContact O-N 3.33Å; Y431-L462 HydrophobicContact CD1-CD2 3.71Å; Y431-L462 HydrophobicContact CG-CD2 4.15Å; Y431-M465 HydrophobicContact CD1-CE 4.12Å; Y431-M465 HydrophobicContact CE1-CE 3.93Å
432K92.4Very high92.9Very high170 Ų17045.3 Ų45.374%0.73923%0.233SC*.Hα-helixtrans-74.1-51.2-178.9-70.6-176.4-179.9179.80110.4D430 A434 L435 E436D430-K432 PolarHBondContact O-N 2.93Å; D430-K432 PolarHBondContact OD1-N 3.07Å; K432-A434 VanDerWaalsContact C-N 3.27Å; K432-A434 PolarHBondContact O-N 3.45Å; K432-L435 PolarHBondContact O-N 3.33Å; K432-L435 VanDerWaalsContact O-N 3.15Å; K432-E436 PolarHBondContact O-N 3.15Å
433G92.5Very high92.7Very high7 Ų752.7 Ų52.77%0.07227%0.268CS..Hα-helixtrans-62.4-35.6176.500000112.5D430 E436 D437D430-G433 PolarHBondContact OD1-N 3.45Å; G433-E436 PolarHBondContact O-N 3.46Å; G433-D437 PolarHBondContact O-N 3.44Å; G433-D437 VanDerWaalsContact O-N 3.1Å
434A95Very high92.3Very high0 Ų054.9 Ų54.90%028%0.278CS..Hα-helixtrans-62.2-41.717400000113.1G422 R425 L426 D430 K432 D437 F438 L462G422-A434 WeakPolarHBondContact O-CB 3.3Å; R425-A434 HydrophobicContact CB-CB 4.09Å; L426-A434 HydrophobicContact CB-CB 3.88Å; D430-A434 VanDerWaalsContact O-CB 3.27Å; D430-A434 WeakPolarHBondContact O-CB 3.36Å; D430-A434 PolarHBondContact O-N 3.3Å; D430-A434 VanDerWaalsContact O-N 3.17Å; K432-A434 VanDerWaalsContact C-N 3.27Å; K432-A434 PolarHBondContact O-N 3.45Å; A434-D437 PolarHBondContact O-N 3.33Å; A434-F438 HydrophobicContact CB-CE2 4.24Å; A434-F438 WeakPolarHBondContact O-CD2 3.36Å; A434-F438 WeakPolarHBondContact O-CG 3.49Å; A434-F438 PolarHBondContact O-N 3.27Å; A434-L462 HydrophobicContact CB-CD1 4.19Å
435L94.1Very high91.5Very high60 Ų6061.1 Ų61.131%0.31432%0.316SS..Hα-helixtrans-65.2-42.8179.9-172.6134.9000111.9Y431 K432 F438 Q439 L462Y431-L435 WeakPolarHBondContact O-CB 3.34Å; Y431-L435 PolarHBondContact O-N 3.33Å; K432-L435 PolarHBondContact O-N 3.33Å; K432-L435 VanDerWaalsContact O-N 3.15Å; L435-F438 PolarHBondContact O-N 3.09Å; L435-Q439 VanDerWaalsContact CD2-CD 3.48Å; L435-Q439 HydrophobicContact CD2-CG 4.33Å; L435-Q439 WeakPolarHBondContact O-CB 3.18Å; L435-Q439 WeakPolarHBondContact O-CG 3.38Å; L435-Q439 PolarHBondContact O-N 3.1Å; L435-L462 HydrophobicContact CB-CD1 3.84Å; L435-L462 HydrophobicContact CD1-CD1 4.34Å; L435-L462 HydrophobicContact CG-CD1 4.48Å
436E94.1Very high90.9Very high122 Ų12262.7 Ų62.757%0.5733%0.334SS*.Hα-helixtrans-61.4-44.3176-69.5173.1-171.800111.4K432 G433 F438 Q439 A440K432-E436 PolarHBondContact O-N 3.15Å; G433-E436 PolarHBondContact O-N 3.46Å; E436-F438 PolarHBondContact O-N 3.36Å; E436-Q439 PolarHBondContact O-N 3.2Å; E436-A440 VanDerWaalsContact O-CB 3.31Å; E436-A440 WeakPolarHBondContact O-CB 3.48Å; E436-A440 PolarHBondContact O-N 3.15Å
437D93.4Very high90.4Very high22 Ų2264.7 Ų64.712%0.11835%0.348CS..Hα-helixtrans-62-44.1177.3-74.1-24.8000112C421 G422 R425 G433 A434 A440 V441C421-D437 WeakPolarHBondContact CB-OD2 3.42Å; G422-D437 PolarHBondContact N-OD2 2.94Å; R425-D437 WeakPolarHBondContact CD-OD2 3.29Å; R425-D437 IonicContact CZ-OD2 3.81Å; R425-D437 IonicContact NE-OD2 3.4Å; R425-D437 IonicContact NH1-OD1 3.22Å; R425-D437 PolarHBondContact NH1-OD1 3.4Å; R425-D437 IonicContact NH1-OD2 2.76Å; R425-D437 PolarHBondContact NH1-OD2 3.41Å; G433-D437 PolarHBondContact O-N 3.44Å; G433-D437 VanDerWaalsContact O-N 3.1Å; A434-D437 PolarHBondContact O-N 3.33Å; D437-A440 PolarHBondContact O-N 2.99Å; D437-V441 VanDerWaalsContact O-CG2 3.31Å; D437-V441 WeakPolarHBondContact O-CG2 3.29Å; D437-V441 PolarHBondContact O-N 3.28Å
438F95Very high90.1Very high0 Ų067.4 Ų67.40%036%0.359CS..Hα-helixtrans-66.5-39.7176.8-64.3-41.9000112.4G422 Y423 L426 A434 L435 E436 V441 L442 A455 G458 R459 L462G422-F438 VanDerWaalsContact C-CZ 3.48Å; Y423-F438 HydrophobicContact CD1-CZ 4.23Å; Y423-F438 AromaticContact CD2-CE1 3.59Å; Y423-F438 HydrophobicContact CD2-CE1 3.59Å; Y423-F438 AromaticContact CD2-CZ 3.77Å; Y423-F438 HydrophobicContact CD2-CZ 3.77Å; Y423-F438 HydrophobicContact CE1-CZ 4.35Å; Y423-F438 AromaticContact CE2-CE1 3.63Å; Y423-F438 HydrophobicContact CE2-CE1 3.63Å; Y423-F438 AromaticContact CE2-CZ 3.87Å; Y423-F438 HydrophobicContact CE2-CZ 3.87Å; Y423-F438 HydrophobicContact CG-CE1 4.22Å; Y423-F438 AromaticContact CG-CZ 3.96Å; Y423-F438 HydrophobicContact CG-CZ 3.96Å; L426-F438 HydrophobicContact CD1-CE2 3.99Å; L426-F438 HydrophobicContact CD1-CZ 4.42Å; A434-F438 HydrophobicContact CB-CE2 4.24Å; A434-F438 WeakPolarHBondContact O-CD2 3.36Å; A434-F438 WeakPolarHBondContact O-CG 3.49Å; A434-F438 PolarHBondContact O-N 3.27Å; L435-F438 PolarHBondContact O-N 3.09Å; E436-F438 PolarHBondContact O-N 3.36Å; F438-V441 PolarHBondContact O-N 2.87Å; F438-L442 WeakPolarHBondContact O-CG 3.26Å; F438-L442 PolarHBondContact O-N 3.11Å; F438-A455 HydrophobicContact CB-CB 4.29Å; F438-A455 HydrophobicContact CD1-CB 4.09Å; F438-G458 VanDerWaalsContact CE2-C 3.49Å; F438-R459 HydrophobicContact CB-CB 4.29Å; F438-L462 HydrophobicContact CD2-CD1 3.96Å; F438-L462 HydrophobicContact CE2-CD1 4.05Å
439Q93.9Very high89.9Confident66 Ų6668.2 Ų68.231%0.30836%0.363SS..Hα-helixtrans-64-44.2175.6-77.5176.4-27.100111.7L435 E436 V441 L442 E443L435-Q439 VanDerWaalsContact CD2-CD 3.48Å; L435-Q439 HydrophobicContact CD2-CG 4.33Å; L435-Q439 WeakPolarHBondContact O-CB 3.18Å; L435-Q439 WeakPolarHBondContact O-CG 3.38Å; L435-Q439 PolarHBondContact O-N 3.1Å; E436-Q439 PolarHBondContact O-N 3.2Å; Q439-V441 PolarHBondContact O-N 3.41Å; Q439-V441 VanDerWaalsContact O-N 3.16Å; Q439-L442 PolarHBondContact O-N 3.12Å; Q439-E443 WeakPolarHBondContact O-CG 3.49Å; Q439-E443 PolarHBondContact O-N 3.4Å
440A91.1Very high90Very high27 Ų2767.4 Ų67.422%0.22335%0.351CS..Hα-helixtrans-62.3-25.5-179.900000113.4K418 E436 D437 H444K418-A440 HydrophobicContact CD-CB 4.07Å; E436-A440 VanDerWaalsContact O-CB 3.31Å; E436-A440 WeakPolarHBondContact O-CB 3.48Å; E436-A440 PolarHBondContact O-N 3.15Å; D437-A440 PolarHBondContact O-N 2.99Å; A440-H444 PolarHBondContact O-N 3.39Å
441V92.1Very high89.9Confident0 Ų064 Ų640%033%0.333CS..Hα-helixtrans-75-39172.91740000111.1N415 K418 V419 D437 F438 Q439 H444 P447 A455N415-V441 HydrophobicContact CB-CG1 4.39Å; K418-V441 HydrophobicContact CB-CG2 3.57Å; K418-V441 HydrophobicContact CD-CG2 4.49Å; V419-V441 HydrophobicContact CG2-CB 4.13Å; V419-V441 HydrophobicContact CG2-CG1 3.76Å; V419-V441 HydrophobicContact CG2-CG2 3.56Å; D437-V441 VanDerWaalsContact O-CG2 3.31Å; D437-V441 WeakPolarHBondContact O-CG2 3.29Å; D437-V441 PolarHBondContact O-N 3.28Å; F438-V441 PolarHBondContact O-N 2.87Å; Q439-V441 PolarHBondContact O-N 3.41Å; Q439-V441 VanDerWaalsContact O-N 3.16Å; V441-H444 WeakPolarHBondContact O-CB 3.34Å; V441-H444 PolarHBondContact O-N 3Å; V441-P447 WeakPolarHBondContact O-CB 3.39Å; V441-A455 HydrophobicContact CB-CB 4.08Å; V441-A455 HydrophobicContact CG1-CB 3.96Å
442L89.8Confident89.8Confident49 Ų4958.7 Ų58.726%0.25731%0.314SS..Hα-helixtrans-77.4-25.9-178.1-62.3172.5000112.9F438 Q439 C452 A455 L456 R459F438-L442 WeakPolarHBondContact O-CG 3.26Å; F438-L442 PolarHBondContact O-N 3.11Å; Q439-L442 PolarHBondContact O-N 3.12Å; L442-C452 HydrophobicContact CD2-CB 4.39Å; L442-A455 HydrophobicContact CD2-CB 4.17Å; L442-A455 HydrophobicContact CG-CB 4.18Å; L442-L456 HydrophobicContact CD1-CD2 3.9Å; L442-L456 HydrophobicContact CD1-CG 4.44Å; L442-L456 HydrophobicContact CD2-CD2 3.98Å; L442-L456 HydrophobicContact CD2-CG 3.86Å; L442-R459 VanDerWaalsContact CD1-CZ 3.42Å
443E89.9Confident89.9Confident154 Ų15450.6 Ų50.672%0.7228%0.278SS*.SBendtrans-88.2-5175.1-68172.3-174.300112.9Q439Q439-E443 WeakPolarHBondContact O-CG 3.49Å; Q439-E443 PolarHBondContact O-N 3.4Å
444H87.2Confident90Very high46 Ų4651.5 Ų51.521%0.21328%0.279CS..SBendtrans-66142.1178.7-168-82.8000111.1N415 A440 V441 T446 P447N415-H444 PolarHBondContact ND2-ND1 2.61Å; N415-H444 PolarHBondContact OD1-CD2 3.36Å; N415-H444 VanDerWaalsContact OD1-CD2 3.22Å; A440-H444 PolarHBondContact O-N 3.39Å; V441-H444 WeakPolarHBondContact O-CB 3.34Å; V441-H444 PolarHBondContact O-N 3Å; H444-T446 PolarHBondContact ND1-N 2.93Å; H444-T446 VanDerWaalsContact ND1-N 3.19Å; H444-T446 PolarHBondContact ND1-O 3.37Å; H444-T446 PolarHBondContact O-N 3.15Å; H444-P447 HydrophobicContact CB-CB 4.27Å; H444-P447 WeakPolarHBondContact O-CD 3.4Å
445T77.9Confident90.1Very high131 Ų13151.5 Ų51.580%0.80428%0.279SS*.SBendtrans-63.8-36.7-174.3510000113.5
446T80.8Confident90.1Very high108 Ų10849.2 Ų49.266%0.66327%0.267SS*.SBendtrans-132.777.9177.748.90000111.8N415 H444N415-T446 PolarHBondContact ND2-O 3.16Å; H444-T446 PolarHBondContact ND1-N 2.93Å; H444-T446 VanDerWaalsContact ND1-N 3.19Å; H444-T446 PolarHBondContact ND1-O 3.37Å; H444-T446 PolarHBondContact O-N 3.15Å
447P82.1Confident90.2Very high49 Ų4943.4 Ų43.432%0.31824%0.24SC..  trans-86.1141.2-172.237.7-35.8000112.2N415 V441 H444 C452N415-P447 WeakPolarHBondContact ND2-CA 3.4Å; V441-P447 WeakPolarHBondContact O-CB 3.39Å; H444-P447 HydrophobicContact CB-CB 4.27Å; H444-P447 WeakPolarHBondContact O-CD 3.4Å; P447-C452 WeakPolarHBondContact CB-SG 3.44Å; P447-C452 VanDerWaalsContact CG-SG 3.54Å
448H84.9Confident90.3Very high103 Ų10342.3 Ų42.348%0.47724%0.235SC..  trans-72.2131.8179.7-179.5-99.4000110.5S450 S451 C452H448-S450 PolarHBondContact O-N 3.05Å; H448-S451 WeakPolarHBondContact O-CA 3.49Å; H448-S451 WeakPolarHBondContact O-CB 3.4Å; H448-S451 PolarHBondContact O-N 3.3Å; H448-C452 PolarHBondContact O-N 3.47Å
449P87.1Confident90.3Very high78 Ų7844.3 Ų44.351%0.50624%0.242SC..Hα-helixtrans-55.6-45.4-171.2-28.834.9000115.2S451 C452 V453P449-S451 VanDerWaalsContact C-N 3.32Å; P449-S451 PolarHBondContact O-N 3.48Å; P449-C452 WeakPolarHBondContact O-CB 3.34Å; P449-C452 PolarHBondContact O-N 3.46Å; P449-V453 WeakPolarHBondContact O-CG2 3.27Å; P449-V453 PolarHBondContact O-N 3.18Å
450S88.6Confident90.4Very high26 Ų2641.1 Ų41.118%0.18223%0.227CC..Hα-helixtrans-66.4-34.6177.7149.10000111.9H448 V453 R454 E486H448-S450 PolarHBondContact O-N 3.05Å; S450-V453 PolarHBondContact O-N 2.94Å; S450-R454 WeakPolarHBondContact O-CG 3.39Å; S450-R454 PolarHBondContact O-N 3.21Å; S450-E486 PolarHBondContact OG-OE1 2.94Å
451S91.4Very high90.6Very high2 Ų239.9 Ų39.91%0.01422%0.217CC..Hα-helixtrans-69.1-40.1176.2-490000110.7T416 V419 H448 P449 R454 A455T416-S451 PolarHBondContact OG1-OG 3.01Å; V419-S451 VanDerWaalsContact CG2-O 3.3Å; V419-S451 WeakPolarHBondContact CG2-O 3.37Å; H448-S451 WeakPolarHBondContact O-CA 3.49Å; H448-S451 WeakPolarHBondContact O-CB 3.4Å; H448-S451 PolarHBondContact O-N 3.3Å; P449-S451 VanDerWaalsContact C-N 3.32Å; P449-S451 PolarHBondContact O-N 3.48Å; S451-R454 PolarHBondContact O-N 2.92Å; S451-A455 VanDerWaalsContact O-CB 3.32Å; S451-A455 WeakPolarHBondContact O-CB 3.35Å; S451-A455 PolarHBondContact O-N 2.73Å
452C92.9Very high90.8Very high13 Ų1340.5 Ų40.59%0.08822%0.22CC..Hα-helixtrans-58.3-47.7171.3-69.60000112.3L442 P447 H448 P449 R454 A455 L456L442-C452 HydrophobicContact CD2-CB 4.39Å; P447-C452 WeakPolarHBondContact CB-SG 3.44Å; P447-C452 VanDerWaalsContact CG-SG 3.54Å; H448-C452 PolarHBondContact O-N 3.47Å; P449-C452 WeakPolarHBondContact O-CB 3.34Å; P449-C452 PolarHBondContact O-N 3.46Å; C452-R454 PolarHBondContact O-N 3.07Å; C452-A455 PolarHBondContact O-N 3.19Å; C452-L456 WeakPolarHBondContact O-CB 3.5Å; C452-L456 VanDerWaalsContact O-CG 3.3Å; C452-L456 WeakPolarHBondContact O-CG 3.27Å; C452-L456 PolarHBondContact O-N 3.4Å
453V94.5Very high91Very high0 Ų041 Ų410%022%0.218CC..Hα-helixtrans-60.2-47.7-179.4165.80000110.7P449 S450 A455 L456 C457 A479 L482 H483 E486 T487P449-V453 WeakPolarHBondContact O-CG2 3.27Å; P449-V453 PolarHBondContact O-N 3.18Å; S450-V453 PolarHBondContact O-N 2.94Å; V453-A455 PolarHBondContact O-N 3.21Å; V453-L456 PolarHBondContact O-N 2.87Å; V453-C457 PolarHBondContact O-N 3.21Å; V453-C457 PolarHBondContact O-SG 3.43Å; V453-A479 HydrophobicContact CG1-CB 4.27Å; V453-L482 HydrophobicContact CG2-CB 3.81Å; V453-L482 HydrophobicContact CG2-CD1 4.38Å; V453-H483 HydrophobicContact CG2-CB 3.98Å; V453-E486 HydrophobicContact CB-CG 4.35Å; V453-E486 HydrophobicContact CG1-CB 4.15Å; V453-E486 HydrophobicContact CG1-CG 3.94Å; V453-T487 VanDerWaalsContact CG1-OG1 3.23Å; V453-T487 WeakPolarHBondContact CG1-OG1 3.14Å
454R94.8Very high91.3Very high25 Ų2534.1 Ų34.19%0.09419%0.187CC..Hα-helixtrans-61.2-42.9175.2-74.4-176.4-167.9-170.86.2111.8D386 V419 Y423 S450 S451 C452 C457 G458 E486 T490D386-R454 VanDerWaalsContact CG-NH1 3.27Å; D386-R454 IonicContact OD1-CZ 3.39Å; D386-R454 IonicContact OD1-NH1 2.73Å; D386-R454 PolarHBondContact OD1-NH1 3.34Å; D386-R454 IonicContact OD2-CZ 3.65Å; D386-R454 IonicContact OD2-NH1 3.38Å; D386-R454 PolarHBondContact OD2-NH1 3.06Å; D386-R454 IonicContact OD2-NH2 2.75Å; V419-R454 HydrophobicContact CG1-CB 3.47Å; V419-R454 VanDerWaalsContact CG1-CB 3.47Å; V419-R454 HydrophobicContact CG1-CG 4.46Å; Y423-R454 HydrophobicContact CE2-CB 4.02Å; Y423-R454 VanDerWaalsContact CE2-O 3.25Å; Y423-R454 WeakPolarHBondContact CE2-O 3.32Å; Y423-R454 PolarHBondContact OH-O 3.45Å; S450-R454 WeakPolarHBondContact O-CG 3.39Å; S450-R454 PolarHBondContact O-N 3.21Å; S451-R454 PolarHBondContact O-N 2.92Å; C452-R454 PolarHBondContact O-N 3.07Å; R454-C457 PolarHBondContact O-N 3.35Å; R454-G458 PolarHBondContact O-N 3.06Å; R454-E486 IonicContact CZ-OE1 3.67Å; R454-E486 VanDerWaalsContact CZ-OE1 3.28Å; R454-E486 IonicContact NE-OE1 2.73Å; R454-E486 PolarHBondContact NE-OE1 2.69Å; R454-E486 IonicContact NH2-OE1 3.48Å; R454-E486 PolarHBondContact NH2-OE1 3.38Å; R454-T490 HydrophobicContact CG-CG2 4.27Å; R454-T490 WeakPolarHBondContact CG-OG1 3.4Å
455A95.4Very high91.5Very high0 Ų035 Ų350%019%0.191CC..Hα-helixtrans-63.4-42.3177.100000112.8V419 F438 V441 L442 S451 C452 V453 G458 R459V419-A455 HydrophobicContact CG2-CB 4.06Å; F438-A455 HydrophobicContact CB-CB 4.29Å; F438-A455 HydrophobicContact CD1-CB 4.09Å; V441-A455 HydrophobicContact CB-CB 4.08Å; V441-A455 HydrophobicContact CG1-CB 3.96Å; L442-A455 HydrophobicContact CD2-CB 4.17Å; L442-A455 HydrophobicContact CG-CB 4.18Å; S451-A455 VanDerWaalsContact O-CB 3.32Å; S451-A455 WeakPolarHBondContact O-CB 3.35Å; S451-A455 PolarHBondContact O-N 2.73Å; C452-A455 PolarHBondContact O-N 3.19Å; V453-A455 PolarHBondContact O-N 3.21Å; A455-G458 PolarHBondContact O-N 3.36Å; A455-R459 WeakPolarHBondContact O-CB 3.43Å; A455-R459 PolarHBondContact O-N 3.1Å
456L95.6Very high92.2Very high12 Ų1232.4 Ų32.46%0.06318%0.183CC..Hα-helixtrans-62.1-45175.4-73.7168000111.3L442 C452 V453 G458 G460 D475 A479 L482L442-L456 HydrophobicContact CD1-CD2 3.9Å; L442-L456 HydrophobicContact CD1-CG 4.44Å; L442-L456 HydrophobicContact CD2-CD2 3.98Å; L442-L456 HydrophobicContact CD2-CG 3.86Å; C452-L456 WeakPolarHBondContact O-CB 3.5Å; C452-L456 VanDerWaalsContact O-CG 3.3Å; C452-L456 WeakPolarHBondContact O-CG 3.27Å; C452-L456 PolarHBondContact O-N 3.4Å; V453-L456 PolarHBondContact O-N 2.87Å; L456-G458 VanDerWaalsContact C-N 3.34Å; L456-G458 PolarHBondContact O-N 3.1Å; L456-G460 PolarHBondContact O-N 3.05Å; L456-D475 HydrophobicContact CD2-CB 4.49Å; L456-A479 HydrophobicContact CB-CB 4Å; L456-A479 HydrophobicContact CD1-CB 4.22Å; L456-L482 HydrophobicContact CD1-CD1 4.03Å
457C95.9Very high92.7Very high0 Ų029.8 Ų29.80%018%0.178CC..Hα-helixtrans-61.5-43.1175.5-65.30000111.7Y423 V453 R454 G460 L461 Y476 T490Y423-C457 WeakPolarHBondContact OH-CB 3.42Å; V453-C457 PolarHBondContact O-N 3.21Å; V453-C457 PolarHBondContact O-SG 3.43Å; R454-C457 PolarHBondContact O-N 3.35Å; C457-G460 PolarHBondContact O-N 3.07Å; C457-L461 WeakPolarHBondContact O-CB 3.34Å; C457-L461 PolarHBondContact O-N 3.22Å; C457-Y476 HydrophobicContact CB-CE1 3.87Å; C457-Y476 PolarHBondContact O-OH 3.4Å; C457-Y476 VanDerWaalsContact O-OH 3.08Å; C457-T490 HydrophobicContact CB-CG2 3.54Å
458G95Very high93.2Very high0 Ų029.8 Ų29.80%018%0.179CC..Hα-helixtrans-66.3-45.9-179.300000112Y423 F438 R454 A455 L456 L461 L462Y423-G458 WeakPolarHBondContact OH-CA 3.22Å; Y423-G458 PolarHBondContact OH-N 3.49Å; F438-G458 VanDerWaalsContact CE2-C 3.49Å; R454-G458 PolarHBondContact O-N 3.06Å; A455-G458 PolarHBondContact O-N 3.36Å; L456-G458 VanDerWaalsContact C-N 3.34Å; L456-G458 PolarHBondContact O-N 3.1Å; G458-L461 PolarHBondContact O-N 3.3Å; G458-L462 WeakPolarHBondContact O-CG 3.44Å; G458-L462 PolarHBondContact O-N 3.46Å; G458-L462 VanDerWaalsContact O-N 3.08Å
459R95.7Very high93.6Very high41 Ų4127.7 Ų27.716%0.15517%0.171CC..Hα-helixtrans-63.9-40.8173.7-172.2178.473-173.4-2.5112.1F438 L442 A455 L462 R463 D475F438-R459 HydrophobicContact CB-CB 4.29Å; L442-R459 VanDerWaalsContact CD1-CZ 3.42Å; A455-R459 WeakPolarHBondContact O-CB 3.43Å; A455-R459 PolarHBondContact O-N 3.1Å; R459-L462 PolarHBondContact O-N 3.48Å; R459-R463 WeakPolarHBondContact O-CG 3.45Å; R459-R463 PolarHBondContact O-N 3.3Å; R459-D475 IonicContact CZ-OD1 3.61Å; R459-D475 IonicContact CZ-OD2 3.66Å; R459-D475 IonicContact NE-OD1 2.94Å; R459-D475 IonicContact NE-OD2 2.89Å; R459-D475 PolarHBondContact NE-OD2 3.24Å; R459-D475 IonicContact NH2-OD1 2.95Å; R459-D475 PolarHBondContact NH2-OD1 2.95Å; R459-D475 IonicContact NH2-OD2 2.94Å
460G95.4Very high93.8Very high0 Ų028.2 Ų28.20%016%0.164CC..Hα-helixtrans-59.3-46175.100000111.4L456 C457 L462 R463 M464 T472L456-G460 PolarHBondContact O-N 3.05Å; C457-G460 PolarHBondContact O-N 3.07Å; G460-L462 PolarHBondContact O-N 3.03Å; G460-R463 WeakPolarHBondContact O-CB 3.26Å; G460-R463 PolarHBondContact O-N 3.47Å; G460-M464 PolarHBondContact O-N 2.87Å; G460-T472 WeakPolarHBondContact O-CG2 3.46Å; G460-T472 PolarHBondContact O-OG1 3.34Å
461L96Very high93.9Very high1 Ų130.4 Ų30.41%0.00517%0.174CC..Hα-helixtrans-59.5-45.2175.6178.862.7000112.1L426 C457 G458 R463 M464 M465 V495 F499L426-L461 HydrophobicContact CD1-CD2 4.09Å; L426-L461 HydrophobicContact CD2-CD2 4Å; C457-L461 WeakPolarHBondContact O-CB 3.34Å; C457-L461 PolarHBondContact O-N 3.22Å; G458-L461 PolarHBondContact O-N 3.3Å; L461-R463 VanDerWaalsContact C-N 3.33Å; L461-R463 PolarHBondContact O-N 2.76Å; L461-M464 HydrophobicContact CD1-CE 3.84Å; L461-M464 WeakPolarHBondContact O-CB 3.43Å; L461-M464 PolarHBondContact O-N 3.37Å; L461-M465 HydrophobicContact CG-CE 4.33Å; L461-M465 WeakPolarHBondContact O-CG 3.23Å; L461-M465 PolarHBondContact O-N 2.9Å; L461-V495 HydrophobicContact CD1-CG1 3.95Å; L461-V495 HydrophobicContact CD2-CB 4.47Å; L461-V495 HydrophobicContact CD2-CG1 4.16Å; L461-V495 HydrophobicContact CD2-CG2 4.29Å; L461-F499 HydrophobicContact CD1-CB 4.16Å
462L95.1Very high94Very high13 Ų1330.3 Ų30.37%0.06817%0.173CC..Hα-helixtrans-60.9-41.7175.4-68.7173.2000111.9L426 Y431 A434 L435 F438 G458 R459 G460 M464 M465 A466L426-L462 HydrophobicContact CD1-CD1 4.37Å; L426-L462 HydrophobicContact CD1-CD2 3.73Å; L426-L462 HydrophobicContact CD1-CG 3.8Å; L426-L462 HydrophobicContact CG-CD2 4.18Å; Y431-L462 HydrophobicContact CD1-CD2 3.71Å; Y431-L462 HydrophobicContact CG-CD2 4.15Å; A434-L462 HydrophobicContact CB-CD1 4.19Å; L435-L462 HydrophobicContact CB-CD1 3.84Å; L435-L462 HydrophobicContact CD1-CD1 4.34Å; L435-L462 HydrophobicContact CG-CD1 4.48Å; F438-L462 HydrophobicContact CD2-CD1 3.96Å; F438-L462 HydrophobicContact CE2-CD1 4.05Å; G458-L462 WeakPolarHBondContact O-CG 3.44Å; G458-L462 PolarHBondContact O-N 3.46Å; G458-L462 VanDerWaalsContact O-N 3.08Å; R459-L462 PolarHBondContact O-N 3.48Å; G460-L462 PolarHBondContact O-N 3.03Å; L462-M464 VanDerWaalsContact C-N 3.33Å; L462-M464 PolarHBondContact O-N 3.08Å; L462-M465 HydrophobicContact CD2-CE 3.63Å; L462-M465 PolarHBondContact O-N 3.14Å; L462-A466 WeakPolarHBondContact O-CB 3.39Å; L462-A466 PolarHBondContact O-N 3.34Å
463R95.1Very high94.1Very high58 Ų5829.7 Ų29.722%0.21917%0.169CC..Hα-helixtrans-64.2-37.4176.3-75.9169.2170.2-174.9-3.4112.1R459 G460 L461 A466 G467 S468 D475R459-R463 WeakPolarHBondContact O-CG 3.45Å; R459-R463 PolarHBondContact O-N 3.3Å; G460-R463 WeakPolarHBondContact O-CB 3.26Å; G460-R463 PolarHBondContact O-N 3.47Å; L461-R463 VanDerWaalsContact C-N 3.33Å; L461-R463 PolarHBondContact O-N 2.76Å; R463-A466 CarbonylContact O-C 3.35Å; R463-A466 PolarHBondContact O-N 3.25Å; R463-G467 PolarHBondContact O-N 2.96Å; R463-S468 WeakPolarHBondContact O-CA 3.25Å; R463-S468 WeakPolarHBondContact O-CB 3.47Å; R463-S468 PolarHBondContact O-N 2.89Å; R463-D475 WeakPolarHBondContact CD-OD2 3.22Å; R463-D475 IonicContact CZ-OD2 2.8Å; R463-D475 IonicContact NE-OD2 2.75Å; R463-D475 IonicContact NH1-OD1 4Å; R463-D475 PolarHBondContact NH1-OD1 3.43Å; R463-D475 IonicContact NH1-OD2 3.87Å; R463-D475 PolarHBondContact NH1-OD2 3.02Å
464M95.2Very high93.9Very high10 Ų1031.4 Ų31.45%0.04918%0.177CC..Hα-helixtrans-64.2-47.1175.3-171-170.873.100110.8G460 L461 L462 A466 G467 T472 F499 L502 L503 V506G460-M464 PolarHBondContact O-N 2.87Å; L461-M464 HydrophobicContact CD1-CE 3.84Å; L461-M464 WeakPolarHBondContact O-CB 3.43Å; L461-M464 PolarHBondContact O-N 3.37Å; L462-M464 VanDerWaalsContact C-N 3.33Å; L462-M464 PolarHBondContact O-N 3.08Å; M464-A466 PolarHBondContact O-N 2.95Å; M464-G467 PolarHBondContact O-N 2.9Å; M464-T472 WeakPolarHBondContact CA-OG1 3.41Å; M464-T472 HydrophobicContact CB-CG2 3.87Å; M464-T472 HydrophobicContact CG-CG2 4.45Å; M464-T472 PolarHBondContact N-OG1 3.15Å; M464-F499 HydrophobicContact CE-CB 4.13Å; M464-F499 HydrophobicContact CE-CD1 4.03Å; M464-F499 HydrophobicContact CE-CG 4.35Å; M464-L502 HydrophobicContact CE-CD2 3.99Å; M464-L502 HydrophobicContact CE-CG 4.22Å; M464-L502 HydrophobicContact SD-CD2 4.45Å; M464-L502 HydrophobicContact SD-CG 4.17Å; M464-L503 HydrophobicContact CE-CB 4.29Å; M464-L503 WeakPolarHBondContact SD-CA 3.43Å; M464-L503 HydrophobicContact SD-CB 3.75Å; M464-L503 HydrophobicContact SD-CD1 3.73Å; M464-L503 HydrophobicContact SD-CG 4.37Å; M464-V506 HydrophobicContact CG-CG1 4.49Å; M464-V506 HydrophobicContact CG-CG2 4.29Å; M464-V506 HydrophobicContact SD-CB 4.44Å; M464-V506 HydrophobicContact SD-CG2 4.25Å
465M92Very high93.9Very high64 Ų6430.2 Ų30.232%0.31517%0.173SC..Hα-helixtrans-62.6-30.2176.8-67.3-170.6-62.600112Y431 L461 L462 G467 F499Y431-M465 HydrophobicContact CD1-CE 4.12Å; Y431-M465 HydrophobicContact CE1-CE 3.93Å; L461-M465 HydrophobicContact CG-CE 4.33Å; L461-M465 WeakPolarHBondContact O-CG 3.23Å; L461-M465 PolarHBondContact O-N 2.9Å; L462-M465 HydrophobicContact CD2-CE 3.63Å; L462-M465 PolarHBondContact O-N 3.14Å; M465-G467 VanDerWaalsContact C-N 3.29Å; M465-G467 PolarHBondContact O-N 3.11Å; M465-F499 HydrophobicContact CG-CE1 4.35Å; M465-F499 HydrophobicContact CG-CZ 4.34Å; M465-F499 HydrophobicContact SD-CD2 4.33Å; M465-F499 HydrophobicContact SD-CE1 4.44Å; M465-F499 HydrophobicContact SD-CE2 3.8Å; M465-F499 HydrophobicContact SD-CZ 3.87Å
466A92.3Very high93.9Very high77 Ų7730.2 Ų30.264%0.63617%0.173SC*.THydrogen-bonded Turntrans-811.9172.800000114.5L462 R463 M464 S468L462-A466 WeakPolarHBondContact O-CB 3.39Å; L462-A466 PolarHBondContact O-N 3.34Å; R463-A466 CarbonylContact O-C 3.35Å; R463-A466 PolarHBondContact O-N 3.25Å; M464-A466 PolarHBondContact O-N 2.95Å; A466-S468 VanDerWaalsContact C-N 3.34Å; A466-S468 PolarHBondContact O-N 3.26Å
467G90.9Very high93.8Very high53 Ų5329.7 Ų29.755%0.54617%0.17SC..THydrogen-bonded Turntrans80.94179.900000115.5R463 M464 M465 N469R463-G467 PolarHBondContact O-N 2.96Å; M464-G467 PolarHBondContact O-N 2.9Å; M465-G467 VanDerWaalsContact C-N 3.29Å; M465-G467 PolarHBondContact O-N 3.11Å; G467-N469 VanDerWaalsContact C-N 3.31Å; G467-N469 PolarHBondContact O-N 3.21Å
468S93.7Very high93.6Very high50 Ų5031.4 Ų31.435%0.3518%0.181SC..  trans-8566.4178.7-65.20000111.9R463 A466 Y470 L471 T472R463-S468 WeakPolarHBondContact O-CA 3.25Å; R463-S468 WeakPolarHBondContact O-CB 3.47Å; R463-S468 PolarHBondContact O-N 2.89Å; A466-S468 VanDerWaalsContact C-N 3.34Å; A466-S468 PolarHBondContact O-N 3.26Å; S468-Y470 PolarHBondContact O-N 2.85Å; S468-L471 PolarHBondContact O-N 3.26Å; S468-T472 PolarHBondContact O-N 3.13Å; S468-T472 PolarHBondContact O-OG1 2.9Å
469N93.1Very high93.5Very high58 Ų5831.4 Ų31.431%0.3118%0.181SC..Hα-helixtrans-61.7-41.1-172.5-69.2-16.8000113.9G467 L471 T472 A473 V506 Q510G467-N469 VanDerWaalsContact C-N 3.31Å; G467-N469 PolarHBondContact O-N 3.21Å; N469-L471 PolarHBondContact O-N 3.42Å; N469-T472 VanDerWaalsContact O-CB 3.27Å; N469-T472 WeakPolarHBondContact O-CB 3.33Å; N469-T472 PolarHBondContact O-N 3.41Å; N469-A473 PolarHBondContact O-N 3.17Å; N469-V506 HydrophobicContact CB-CG1 3.75Å; N469-Q510 HydrophobicContact CB-CG 3.97Å
470Y90.3Very high93.3Very high89 Ų8929.7 Ų29.735%0.34918%0.175SC..Hα-helixtrans-63.1-44.8179179.1-95.4000112.3S468 T472 A473 L474 M514S468-Y470 PolarHBondContact O-N 2.85Å; Y470-T472 VanDerWaalsContact C-N 3.29Å; Y470-T472 PolarHBondContact O-N 3.33Å; Y470-A473 PolarHBondContact O-N 3.43Å; Y470-L474 HydrophobicContact CE1-CD1 4.4Å; Y470-L474 PolarHBondContact O-N 3.05Å; Y470-L474 VanDerWaalsContact O-N 3.09Å; Y470-M514 HydrophobicContact CD2-CE 4.47Å; Y470-M514 HydrophobicContact CD2-CG 4.4Å; Y470-M514 HydrophobicContact CE2-CE 3.74Å; Y470-M514 HydrophobicContact CE2-CG 3.9Å; Y470-M514 HydrophobicContact CE2-SD 4.39Å
471L91.8Very high93.1Very high73 Ų7333.9 Ų33.938%0.38219%0.191SC..Hα-helixtrans-68.2-31.5178-63.5178.4000112.1S468 N469 L474 D475S468-L471 PolarHBondContact O-N 3.26Å; N469-L471 PolarHBondContact O-N 3.42Å; L471-L474 PolarHBondContact O-N 2.75Å; L471-D475 PolarHBondContact O-N 2.86Å; L471-D475 VanDerWaalsContact O-N 3.1Å
472T94.4Very high92.8Very high0 Ų039 Ų390%022%0.218CC..Hα-helixtrans-58.8-52170.9-56.70000110.3G460 M464 S468 N469 Y470 L474 D475 Y476 L503 L507G460-T472 WeakPolarHBondContact O-CG2 3.46Å; G460-T472 PolarHBondContact O-OG1 3.34Å; M464-T472 WeakPolarHBondContact CA-OG1 3.41Å; M464-T472 HydrophobicContact CB-CG2 3.87Å; M464-T472 HydrophobicContact CG-CG2 4.45Å; M464-T472 PolarHBondContact N-OG1 3.15Å; S468-T472 PolarHBondContact O-N 3.13Å; S468-T472 PolarHBondContact O-OG1 2.9Å; N469-T472 VanDerWaalsContact O-CB 3.27Å; N469-T472 WeakPolarHBondContact O-CB 3.33Å; N469-T472 PolarHBondContact O-N 3.41Å; Y470-T472 VanDerWaalsContact C-N 3.29Å; Y470-T472 PolarHBondContact O-N 3.33Å; T472-L474 VanDerWaalsContact C-N 3.27Å; T472-L474 PolarHBondContact O-N 3.12Å; T472-D475 PolarHBondContact O-N 3.44Å; T472-D475 VanDerWaalsContact O-N 3.17Å; T472-Y476 HydrophobicContact CG2-CD2 3.95Å; T472-Y476 HydrophobicContact CG2-CE2 4.1Å; T472-Y476 WeakPolarHBondContact O-CD2 3.38Å; T472-Y476 PolarHBondContact O-N 2.92Å; T472-L503 HydrophobicContact CG2-CD1 3.94Å; T472-L507 HydrophobicContact CG2-CD2 4.24Å
473A93.3Very high92.6Very high0 Ų042 Ų420%023%0.231CC..Hα-helixtrans-60.4-38.2179.700000112.2N469 Y470 Y476 M477 L507 Q510 M514N469-A473 PolarHBondContact O-N 3.17Å; Y470-A473 PolarHBondContact O-N 3.43Å; A473-Y476 PolarHBondContact O-N 2.96Å; A473-M477 WeakPolarHBondContact O-CB 3.4Å; A473-M477 PolarHBondContact O-N 3.06Å; A473-L507 HydrophobicContact CB-CD2 4.22Å; A473-Q510 HydrophobicContact CB-CB 3.49Å; A473-Q510 VanDerWaalsContact CB-CB 3.49Å; A473-Q510 HydrophobicContact CB-CG 4.23Å; A473-M514 HydrophobicContact CB-SD 4.27Å
474L91.8Very high92.4Very high35 Ų3542 Ų4218%0.18324%0.239CC..Hα-helixtrans-63.9-39.8176.6-167.8148.2000112.7Y470 L471 T472 M477 T478Y470-L474 HydrophobicContact CE1-CD1 4.4Å; Y470-L474 PolarHBondContact O-N 3.05Å; Y470-L474 VanDerWaalsContact O-N 3.09Å; L471-L474 PolarHBondContact O-N 2.75Å; T472-L474 VanDerWaalsContact C-N 3.27Å; T472-L474 PolarHBondContact O-N 3.12Å; L474-M477 PolarHBondContact O-N 3.1Å; L474-T478 HydrophobicContact CD2-CG2 4.45Å; L474-T478 WeakPolarHBondContact O-CG2 3.33Å; L474-T478 PolarHBondContact O-N 3.37Å; L474-T478 PolarHBondContact O-OG1 2.99Å
475D94.3Very high92.1Very high1 Ų147.4 Ų47.41%0.00526%0.264CS..Hα-helixtrans-67.7-44.3176.2-76.8-17.3000112.1L456 R459 R463 L471 T472 M477 T478 A479L456-D475 HydrophobicContact CD2-CB 4.49Å; R459-D475 IonicContact CZ-OD1 3.61Å; R459-D475 IonicContact CZ-OD2 3.66Å; R459-D475 IonicContact NE-OD1 2.94Å; R459-D475 IonicContact NE-OD2 2.89Å; R459-D475 PolarHBondContact NE-OD2 3.24Å; R459-D475 IonicContact NH2-OD1 2.95Å; R459-D475 PolarHBondContact NH2-OD1 2.95Å; R459-D475 IonicContact NH2-OD2 2.94Å; R463-D475 WeakPolarHBondContact CD-OD2 3.22Å; R463-D475 IonicContact CZ-OD2 2.8Å; R463-D475 IonicContact NE-OD2 2.75Å; R463-D475 IonicContact NH1-OD1 4Å; R463-D475 PolarHBondContact NH1-OD1 3.43Å; R463-D475 IonicContact NH1-OD2 3.87Å; R463-D475 PolarHBondContact NH1-OD2 3.02Å; L471-D475 PolarHBondContact O-N 2.86Å; L471-D475 VanDerWaalsContact O-N 3.1Å; T472-D475 PolarHBondContact O-N 3.44Å; T472-D475 VanDerWaalsContact O-N 3.17Å; D475-M477 VanDerWaalsContact C-N 3.31Å; D475-M477 PolarHBondContact O-N 3.36Å; D475-T478 PolarHBondContact O-N 2.9Å; D475-T478 PolarHBondContact O-OG1 3.49Å; D475-A479 WeakPolarHBondContact O-CB 3.35Å; D475-A479 PolarHBondContact O-N 3.24Å
476Y94.6Very high92.1Very high0 Ų045.1 Ų45.10%025%0.252CS..Hα-helixtrans-69.3-31.2176.4-83.4-83.3000112.7C457 T472 A473 S480 T487 V491 L503 L507 L556C457-Y476 HydrophobicContact CB-CE1 3.87Å; C457-Y476 PolarHBondContact O-OH 3.4Å; C457-Y476 VanDerWaalsContact O-OH 3.08Å; T472-Y476 HydrophobicContact CG2-CD2 3.95Å; T472-Y476 HydrophobicContact CG2-CE2 4.1Å; T472-Y476 WeakPolarHBondContact O-CD2 3.38Å; T472-Y476 PolarHBondContact O-N 2.92Å; A473-Y476 PolarHBondContact O-N 2.96Å; Y476-S480 WeakPolarHBondContact O-CB 3.48Å; Y476-S480 PolarHBondContact O-N 3.43Å; Y476-S480 PolarHBondContact O-OG 3.05Å; Y476-T487 HydrophobicContact CD1-CG2 4.21Å; Y476-V491 HydrophobicContact CD1-CG2 4.27Å; Y476-V491 HydrophobicContact CE1-CG2 3.51Å; Y476-L503 HydrophobicContact CD2-CD1 4.08Å; Y476-L503 HydrophobicContact CE1-CD2 4.03Å; Y476-L503 HydrophobicContact CE2-CD1 3.55Å; Y476-L503 HydrophobicContact CE2-CD2 4.11Å; Y476-L503 HydrophobicContact CE2-CG 4.41Å; Y476-L503 VanDerWaalsContact OH-CD2 3.27Å; Y476-L503 WeakPolarHBondContact OH-CD2 3.5Å; Y476-L507 HydrophobicContact CD1-CD1 4.06Å; Y476-L507 HydrophobicContact CD2-CD1 4.23Å; Y476-L507 HydrophobicContact CD2-CD2 3.86Å; Y476-L507 HydrophobicContact CG-CD1 3.83Å; Y476-L507 HydrophobicContact CG-CD2 3.89Å; Y476-L507 HydrophobicContact CG-CG 4.5Å; Y476-L556 HydrophobicContact CD1-CD2 4.31Å
477M93.4Very high92.1Very high1 Ų141.5 Ų41.51%0.00522%0.222CC..Hα-helixtrans-68-39.5174.4-175.9-169.1-6600112.3A473 L474 D475 R481 M514 G549 V550A473-M477 WeakPolarHBondContact O-CB 3.4Å; A473-M477 PolarHBondContact O-N 3.06Å; L474-M477 PolarHBondContact O-N 3.1Å; D475-M477 VanDerWaalsContact C-N 3.31Å; D475-M477 PolarHBondContact O-N 3.36Å; M477-R481 WeakPolarHBondContact O-CG 3.44Å; M477-R481 PolarHBondContact O-N 2.82Å; M477-R481 PolarHBondContact O-NE 3.32Å; M477-M514 HydrophobicContact CE-CE 3.48Å; M477-M514 VanDerWaalsContact CE-CE 3.48Å; M477-M514 HydrophobicContact CE-SD 3.34Å; M477-M514 WeakPolarHBondContact CE-SD 3.34Å; M477-M514 HydrophobicContact SD-CE 4.43Å; M477-G549 VanDerWaalsContact CG-CA 3.47Å; M477-G549 VanDerWaalsContact CG-O 3.25Å; M477-G549 WeakPolarHBondContact CG-O 3.41Å; M477-G549 VanDerWaalsContact SD-C 3.59Å; M477-G549 WeakPolarHBondContact SD-CA 3.34Å; M477-V550 HydrophobicContact CE-CG2 3.8Å
478T91.6Very high92.2Very high36 Ų3639 Ų3922%0.22120%0.196CC..Hα-helixtrans-71.1-41.2174.4520000110.8L474 D475 S480 R481 L482L474-T478 HydrophobicContact CD2-CG2 4.45Å; L474-T478 WeakPolarHBondContact O-CG2 3.33Å; L474-T478 PolarHBondContact O-N 3.37Å; L474-T478 PolarHBondContact O-OG1 2.99Å; D475-T478 PolarHBondContact O-N 2.9Å; D475-T478 PolarHBondContact O-OG1 3.49Å; T478-S480 PolarHBondContact O-N 3.5Å; T478-R481 PolarHBondContact O-N 2.98Å; T478-L482 WeakPolarHBondContact O-CG 3.29Å; T478-L482 PolarHBondContact O-N 3.3Å; T478-L482 VanDerWaalsContact O-N 3.14Å
479A93.5Very high92.1Very high0 Ų037.5 Ų37.50%018%0.184CC..Hα-helixtrans-57.7-48.9174.600000112.3V453 L456 D475 R481 L482 H483 T487V453-A479 HydrophobicContact CG1-CB 4.27Å; L456-A479 HydrophobicContact CB-CB 4Å; L456-A479 HydrophobicContact CD1-CB 4.22Å; D475-A479 WeakPolarHBondContact O-CB 3.35Å; D475-A479 PolarHBondContact O-N 3.24Å; A479-R481 VanDerWaalsContact C-N 3.3Å; A479-R481 PolarHBondContact O-N 3.44Å; A479-L482 PolarHBondContact O-N 3.32Å; A479-L482 VanDerWaalsContact O-N 3.12Å; A479-H483 PolarHBondContact O-N 3.42Å; A479-T487 VanDerWaalsContact C-OG1 3.26Å; A479-T487 HydrophobicContact CB-CG2 3.98Å; A479-T487 PolarHBondContact O-OG1 3.03Å
480S92.3Very high92.1Very high4 Ų434.9 Ų34.93%0.02817%0.171CC..Hα-helixtrans-63.7-34.2-179.7-53.50000112.8Y476 T478 P484 S552 L556Y476-S480 WeakPolarHBondContact O-CB 3.48Å; Y476-S480 PolarHBondContact O-N 3.43Å; Y476-S480 PolarHBondContact O-OG 3.05Å; T478-S480 PolarHBondContact O-N 3.5Å; S480-P484 WeakPolarHBondContact O-CD 3.38Å; S480-S552 WeakPolarHBondContact CB-O 3.38Å; S480-L556 WeakPolarHBondContact OG-CD2 3.31Å
481R90.1Very high92.2Very high89 Ų8930.7 Ų30.734%0.33615%0.154SC..Hα-helixtrans-68.4-34.3175.1-83.9-176-78.5178.1-8112.9M477 T478 A479 S552M477-R481 WeakPolarHBondContact O-CG 3.44Å; M477-R481 PolarHBondContact O-N 2.82Å; M477-R481 PolarHBondContact O-NE 3.32Å; T478-R481 PolarHBondContact O-N 2.98Å; A479-R481 VanDerWaalsContact C-N 3.3Å; A479-R481 PolarHBondContact O-N 3.44Å; R481-S552 VanDerWaalsContact CG-OG 3.26Å; R481-S552 WeakPolarHBondContact CG-OG 3.46Å
482L90.4Very high92.2Very high108 Ų10827.4 Ų27.457%0.56514%0.137SC*.Hα-helixtrans-76.8-51.5179.8-69.3173.1000111.3V453 L456 T478 A479V453-L482 HydrophobicContact CG2-CB 3.81Å; V453-L482 HydrophobicContact CG2-CD1 4.38Å; L456-L482 HydrophobicContact CD1-CD1 4.03Å; T478-L482 WeakPolarHBondContact O-CG 3.29Å; T478-L482 PolarHBondContact O-N 3.3Å; T478-L482 VanDerWaalsContact O-N 3.14Å; A479-L482 PolarHBondContact O-N 3.32Å; A479-L482 VanDerWaalsContact O-N 3.12Å
483H91.3Very high92Very high77 Ų7728.6 Ų28.636%0.35615%0.145SC..  trans-15699.3-179.8-158.2-50.1000111.6V453 A479 E486 T487V453-H483 HydrophobicContact CG2-CB 3.98Å; A479-H483 PolarHBondContact O-N 3.42Å; H483-E486 HydrophobicContact CB-CB 4.07Å; H483-E486 PolarHBondContact ND1-N 3.47Å; H483-T487 WeakPolarHBondContact O-CB 3.45Å; H483-T487 PolarHBondContact O-N 3.46Å; H483-T487 VanDerWaalsContact O-N 3.09Å; H483-T487 PolarHBondContact O-OG1 2.81Å
484P89.3Confident91.9Very high58 Ų5828.9 Ų28.938%0.37715%0.146SC..Hα-helixtrans-67.2-43.9-17324.2-32.7000112.9S480 E486 T487 A488S480-P484 WeakPolarHBondContact O-CD 3.38Å; P484-E486 PolarHBondContact O-N 3.42Å; P484-T487 WeakPolarHBondContact O-CB 3.46Å; P484-T487 PolarHBondContact O-N 3.22Å; P484-T487 VanDerWaalsContact O-N 3.15Å; P484-A488 PolarHBondContact O-N 3.03Å
485Q89.9Confident91.9Very high123 Ų12327.2 Ų27.258%0.57514%0.138SC*.Hα-helixtrans-61.9-44179.8-67.3177.3-13.100112.8T487 A488 L489Q485-T487 VanDerWaalsContact C-N 3.31Å; Q485-T487 PolarHBondContact O-N 3.1Å; Q485-A488 PolarHBondContact O-N 2.97Å; Q485-L489 WeakPolarHBondContact O-CG 3.42Å; Q485-L489 PolarHBondContact O-N 3.22Å
486E91.2Very high91.7Very high16 Ų1628.6 Ų28.68%0.07515%0.147CC..Hα-helixtrans-65.8-35.3175.9-175.268.8175.300111.5S450 V453 R454 H483 P484 T490S450-E486 PolarHBondContact OG-OE1 2.94Å; V453-E486 HydrophobicContact CB-CG 4.35Å; V453-E486 HydrophobicContact CG1-CB 4.15Å; V453-E486 HydrophobicContact CG1-CG 3.94Å; R454-E486 IonicContact CZ-OE1 3.67Å; R454-E486 VanDerWaalsContact CZ-OE1 3.28Å; R454-E486 IonicContact NE-OE1 2.73Å; R454-E486 PolarHBondContact NE-OE1 2.69Å; R454-E486 IonicContact NH2-OE1 3.48Å; R454-E486 PolarHBondContact NH2-OE1 3.38Å; H483-E486 HydrophobicContact CB-CB 4.07Å; H483-E486 PolarHBondContact ND1-N 3.47Å; P484-E486 PolarHBondContact O-N 3.42Å; E486-T490 VanDerWaalsContact O-CB 3.31Å; E486-T490 WeakPolarHBondContact O-CB 3.32Å; E486-T490 PolarHBondContact O-N 3.5Å; E486-T490 PolarHBondContact O-OG1 2.98Å
487T93.9Very high91.4Very high0 Ų035.9 Ų35.90%017%0.174CC..Hα-helixtrans-63.9-45.3174.1-53.50000110.6V453 Y476 A479 H483 P484 Q485 T490 V491 L556V453-T487 VanDerWaalsContact CG1-OG1 3.23Å; V453-T487 WeakPolarHBondContact CG1-OG1 3.14Å; Y476-T487 HydrophobicContact CD1-CG2 4.21Å; A479-T487 VanDerWaalsContact C-OG1 3.26Å; A479-T487 HydrophobicContact CB-CG2 3.98Å; A479-T487 PolarHBondContact O-OG1 3.03Å; H483-T487 WeakPolarHBondContact O-CB 3.45Å; H483-T487 PolarHBondContact O-N 3.46Å; H483-T487 VanDerWaalsContact O-N 3.09Å; H483-T487 PolarHBondContact O-OG1 2.81Å; P484-T487 WeakPolarHBondContact O-CB 3.46Å; P484-T487 PolarHBondContact O-N 3.22Å; P484-T487 VanDerWaalsContact O-N 3.15Å; Q485-T487 VanDerWaalsContact C-N 3.31Å; Q485-T487 PolarHBondContact O-N 3.1Å; T487-T490 PolarHBondContact O-N 3.06Å; T487-V491 WeakPolarHBondContact O-CG2 3.44Å; T487-V491 PolarHBondContact O-N 3.39Å; T487-L556 HydrophobicContact CG2-CD1 3.87Å; T487-L556 HydrophobicContact CG2-CD2 3.54Å; T487-L556 HydrophobicContact CG2-CG 4.33Å
488A92.1Very high91.2Very high0 Ų039.5 Ų39.50%019%0.193CC..Hα-helixtrans-62.3-45.6176.700000112.1L344 P484 Q485 T490 V491 R492 L556 L560L344-A488 HydrophobicContact CD2-CB 4.04Å; P484-A488 PolarHBondContact O-N 3.03Å; Q485-A488 PolarHBondContact O-N 2.97Å; A488-T490 VanDerWaalsContact C-N 3.34Å; A488-T490 PolarHBondContact O-N 3.05Å; A488-V491 PolarHBondContact O-N 3.28Å; A488-R492 WeakPolarHBondContact O-CB 3.41Å; A488-R492 VanDerWaalsContact O-CG 3.28Å; A488-R492 WeakPolarHBondContact O-CG 3.45Å; A488-R492 PolarHBondContact O-N 2.9Å; A488-L556 HydrophobicContact CB-CD1 3.76Å; A488-L560 HydrophobicContact CB-CD2 4.38Å
489L91.6Very high91.1Very high20 Ų2040.5 Ų40.511%0.10520%0.195CC..Hα-helixtrans-57.7-46.8173.7-77.6172.1000111.5K340 V343 L344 Q485 V491 R492 C493K340-L489 HydrophobicContact CB-CD1 4.41Å; K340-L489 HydrophobicContact CB-CD2 4.09Å; K340-L489 HydrophobicContact CD-CD1 4.3Å; K340-L489 HydrophobicContact CG-CD1 4.24Å; K340-L489 HydrophobicContact CG-CD2 4.27Å; V343-L489 HydrophobicContact CB-CD2 4.27Å; V343-L489 HydrophobicContact CG1-CD2 4.08Å; L344-L489 HydrophobicContact CD1-CD2 4.13Å; L344-L489 HydrophobicContact CD1-CG 4.28Å; L344-L489 HydrophobicContact CD2-CD2 3.91Å; L344-L489 HydrophobicContact CD2-CG 3.84Å; L344-L489 HydrophobicContact CG-CD2 3.63Å; L344-L489 HydrophobicContact CG-CG 4.02Å; Q485-L489 WeakPolarHBondContact O-CG 3.42Å; Q485-L489 PolarHBondContact O-N 3.22Å; L489-V491 PolarHBondContact O-N 3.3Å; L489-R492 PolarHBondContact O-N 3.3Å; L489-C493 VanDerWaalsContact O-CB 3.31Å; L489-C493 WeakPolarHBondContact O-CB 3.48Å; L489-C493 PolarHBondContact O-N 3.07Å; L489-C493 PolarHBondContact O-SG 2.88Å
490T92.9Very high91Very high3 Ų341.1 Ų41.12%0.01820%0.197CC..Hα-helixtrans-60.6-45.1179.4-59.10000111.4Y423 R454 C457 E486 T487 A488 C493 L494 V495Y423-T490 WeakPolarHBondContact OH-CG2 3.44Å; R454-T490 HydrophobicContact CG-CG2 4.27Å; R454-T490 WeakPolarHBondContact CG-OG1 3.4Å; C457-T490 HydrophobicContact CB-CG2 3.54Å; E486-T490 VanDerWaalsContact O-CB 3.31Å; E486-T490 WeakPolarHBondContact O-CB 3.32Å; E486-T490 PolarHBondContact O-N 3.5Å; E486-T490 PolarHBondContact O-OG1 2.98Å; T487-T490 PolarHBondContact O-N 3.06Å; A488-T490 VanDerWaalsContact C-N 3.34Å; A488-T490 PolarHBondContact O-N 3.05Å; T490-C493 PolarHBondContact O-N 3.37Å; T490-L494 HydrophobicContact CG2-CB 4.28Å; T490-L494 HydrophobicContact CG2-CD1 4.16Å; T490-L494 WeakPolarHBondContact O-CA 3.2Å; T490-L494 WeakPolarHBondContact O-CB 3.25Å; T490-L494 PolarHBondContact O-N 3.39Å; T490-V495 PolarHBondContact O-N 3.48Å
491V92.9Very high91Very high1 Ų142 Ų421%0.00621%0.206CC..Hα-helixtrans-63.8-42.7176.7173.60000111.7Y476 T487 A488 L489 C493 V495 R500 L503 L560Y476-V491 HydrophobicContact CD1-CG2 4.27Å; Y476-V491 HydrophobicContact CE1-CG2 3.51Å; T487-V491 WeakPolarHBondContact O-CG2 3.44Å; T487-V491 PolarHBondContact O-N 3.39Å; A488-V491 PolarHBondContact O-N 3.28Å; L489-V491 PolarHBondContact O-N 3.3Å; V491-C493 VanDerWaalsContact C-N 3.35Å; V491-C493 PolarHBondContact O-N 2.85Å; V491-V495 WeakPolarHBondContact O-CB 3.27Å; V491-R500 PolarHBondContact O-NE 2.72Å; V491-L503 HydrophobicContact CG1-CD2 4.22Å; V491-L503 HydrophobicContact CG2-CD2 4.3Å; V491-L560 HydrophobicContact CB-CD1 4.44Å; V491-L560 HydrophobicContact CB-CD2 4.14Å; V491-L560 HydrophobicContact CG1-CD1 3.88Å; V491-L560 HydrophobicContact CG1-CD2 3.95Å
492R91.1Very high91.1Very high4 Ų441.8 Ų41.82%0.01521%0.212CC..Hα-helixtrans-75.3-21.2-177.6-70.1169.8169.5-96.4-3.3113.7V343 L344 R346 L349 A488 L489 R500 D559 L560V343-R492 HydrophobicContact CG1-CB 3.47Å; V343-R492 VanDerWaalsContact CG1-CB 3.47Å; V343-R492 HydrophobicContact CG1-CG 4.36Å; V343-R492 WeakPolarHBondContact O-CD 3.47Å; V343-R492 PolarHBondContact O-NH1 3.33Å; L344-R492 PolarHBondContact O-NH1 3.46Å; L344-R492 PolarHBondContact O-NH2 3.1Å; R346-R492 VanDerWaalsContact CB-NH1 3.32Å; R346-R492 PolarHBondContact NH1-O 2.84Å; R346-R492 PolarHBondContact O-NH1 3.29Å; R346-R492 PolarHBondContact O-NH2 3.47Å; L349-R492 HydrophobicContact CD1-CG 4.3Å; A488-R492 WeakPolarHBondContact O-CB 3.41Å; A488-R492 VanDerWaalsContact O-CG 3.28Å; A488-R492 WeakPolarHBondContact O-CG 3.45Å; A488-R492 PolarHBondContact O-N 2.9Å; L489-R492 PolarHBondContact O-N 3.3Å; R492-R500 PolarHBondContact O-NH1 2.86Å; R492-R500 PolarHBondContact O-NH2 3.11Å; R492-D559 PolarHBondContact NH2-O 3.13Å; R492-L560 HydrophobicContact CG-CD2 3.89Å; R492-L560 PolarHBondContact NH2-O 2.93Å; R492-L560 VanDerWaalsContact NH2-O 3.16Å
493C89.8Confident91.3Very high25 Ų2536.7 Ų36.717%0.16919%0.185CC..Hα-helixtrans-109.4-53.6-177.7-66.40000113.6V343 L390 L489 T490 V491V343-C493 VanDerWaalsContact CG1-SG 3.59Å; L390-C493 HydrophobicContact CD2-CB 3.47Å; L390-C493 VanDerWaalsContact CD2-CB 3.47Å; L489-C493 VanDerWaalsContact O-CB 3.31Å; L489-C493 WeakPolarHBondContact O-CB 3.48Å; L489-C493 PolarHBondContact O-N 3.07Å; L489-C493 PolarHBondContact O-SG 2.88Å; T490-C493 PolarHBondContact O-N 3.37Å; V491-C493 VanDerWaalsContact C-N 3.35Å; V491-C493 PolarHBondContact O-N 2.85Å
494L91.6Very high91.4Very high5 Ų533.8 Ų33.83%0.02617%0.171CC..THydrogen-bonded Turntrans-95-18.9-166.1-64.4175.7000113.7L389 L390 Y423 T490L389-L494 HydrophobicContact CD2-CD2 3.73Å; L389-L494 HydrophobicContact CG-CD2 3.86Å; L390-L494 HydrophobicContact CD2-CD2 3.83Å; L390-L494 HydrophobicContact CD2-CG 4.14Å; Y423-L494 HydrophobicContact CD1-CB 3.75Å; Y423-L494 HydrophobicContact CD1-CD1 4.34Å; Y423-L494 HydrophobicContact CD1-CG 4.44Å; Y423-L494 HydrophobicContact CD2-CD1 4.03Å; Y423-L494 HydrophobicContact CE1-CB 3.54Å; Y423-L494 HydrophobicContact CE1-CD1 4.26Å; Y423-L494 HydrophobicContact CE1-CG 4.47Å; Y423-L494 HydrophobicContact CE2-CD1 3.97Å; Y423-L494 HydrophobicContact CG-CB 4.41Å; Y423-L494 HydrophobicContact CG-CD1 4.22Å; T490-L494 HydrophobicContact CG2-CB 4.28Å; T490-L494 HydrophobicContact CG2-CD1 4.16Å; T490-L494 WeakPolarHBondContact O-CA 3.2Å; T490-L494 WeakPolarHBondContact O-CB 3.25Å; T490-L494 PolarHBondContact O-N 3.39Å
495V92.4Very high91.6Very high1 Ų134.4 Ų34.41%0.00617%0.174CC..SBendtrans-78.3129.3168.6178.90000108.7L461 T490 V491 W497 F499 R500 L503L461-V495 HydrophobicContact CD1-CG1 3.95Å; L461-V495 HydrophobicContact CD2-CB 4.47Å; L461-V495 HydrophobicContact CD2-CG1 4.16Å; L461-V495 HydrophobicContact CD2-CG2 4.29Å; T490-V495 PolarHBondContact O-N 3.48Å; V491-V495 WeakPolarHBondContact O-CB 3.27Å; V495-W497 PolarHBondContact O-N 2.9Å; V495-F499 HydrophobicContact CG1-CB 4.16Å; V495-R500 HydrophobicContact CB-CG 4.07Å; V495-R500 HydrophobicContact CG1-CG 3.82Å; V495-R500 PolarHBondContact O-NE 3.37Å; V495-R500 PolarHBondContact O-NH2 3.45Å; V495-L503 HydrophobicContact CG1-CD2 4.26Å; V495-L503 HydrophobicContact CG2-CD2 4.15Å
496P90.2Very high91.8Very high30 Ų3029.3 Ų29.320%0.19515%0.151CC..  trans-56.6138.5177.5-24.833.5000112.1L427 N498 F499 R500L427-P496 HydrophobicContact CD2-CG 3.74Å; P496-N498 WeakPolarHBondContact CB-OD1 3.44Å; P496-N498 PolarHBondContact O-N 3.4Å; P496-N498 VanDerWaalsContact O-N 3.1Å; P496-F499 HydrophobicContact CB-CD2 3.93Å; P496-F499 HydrophobicContact CG-CD2 4.06Å; P496-F499 PolarHBondContact O-N 2.86Å; P496-R500 WeakPolarHBondContact O-CG 3.26Å; P496-R500 PolarHBondContact O-N 3.46Å
497W87.6Confident92Very high152 Ų15228.5 Ų28.558%0.57615%0.148SC*.Hα-helixtrans-55.5-33.4-170.766.8-89.7000114V495V495-W497 PolarHBondContact O-N 2.9Å
498N88.9Confident92Very high77 Ų7729.6 Ų29.641%0.41215%0.153SC..Hα-helixtrans-69-32.1177.462.6-34.4000113P496P496-N498 WeakPolarHBondContact CB-OD1 3.44Å; P496-N498 PolarHBondContact O-N 3.4Å; P496-N498 VanDerWaalsContact O-N 3.1Å
499F90.4Very high92Very high58 Ų5834 Ų3425%0.25417%0.174SC..Hα-helixtrans-87.6-18.7-178.8-71-60000114L461 M464 M465 V495 P496 G501 L502 L503L461-F499 HydrophobicContact CD1-CB 4.16Å; M464-F499 HydrophobicContact CE-CB 4.13Å; M464-F499 HydrophobicContact CE-CD1 4.03Å; M464-F499 HydrophobicContact CE-CG 4.35Å; M465-F499 HydrophobicContact CG-CE1 4.35Å; M465-F499 HydrophobicContact CG-CZ 4.34Å; M465-F499 HydrophobicContact SD-CD2 4.33Å; M465-F499 HydrophobicContact SD-CE1 4.44Å; M465-F499 HydrophobicContact SD-CE2 3.8Å; M465-F499 HydrophobicContact SD-CZ 3.87Å; V495-F499 HydrophobicContact CG1-CB 4.16Å; P496-F499 HydrophobicContact CB-CD2 3.93Å; P496-F499 HydrophobicContact CG-CD2 4.06Å; P496-F499 PolarHBondContact O-N 2.86Å; F499-G501 VanDerWaalsContact C-N 3.34Å; F499-G501 PolarHBondContact O-N 2.94Å; F499-L502 HydrophobicContact CD1-CD2 4.35Å; F499-L502 PolarHBondContact O-N 3.44Å; F499-L503 WeakPolarHBondContact O-CB 3.49Å; F499-L503 PolarHBondContact O-N 3.47Å
500R91.8Very high92.1Very high13 Ų1334.7 Ų34.75%0.04918%0.177CC..Hα-helixtrans-59.3-42.2-175.6-61.8175.3-170163.33113.3L349 S351 V491 R492 V495 P496 L503 F504L349-R500 HydrophobicContact CD2-CB 3.82Å; L349-R500 WeakPolarHBondContact CD2-O 3.32Å; L349-R500 HydrophobicContact CG-CB 3.76Å; L349-R500 WeakPolarHBondContact O-CD 3.47Å; L349-R500 PolarHBondContact O-NH1 2.96Å; S351-R500 PolarHBondContact O-NH1 3.42Å; V491-R500 PolarHBondContact O-NE 2.72Å; R492-R500 PolarHBondContact O-NH1 2.86Å; R492-R500 PolarHBondContact O-NH2 3.11Å; V495-R500 HydrophobicContact CB-CG 4.07Å; V495-R500 HydrophobicContact CG1-CG 3.82Å; V495-R500 PolarHBondContact O-NE 3.37Å; V495-R500 PolarHBondContact O-NH2 3.45Å; P496-R500 WeakPolarHBondContact O-CG 3.26Å; P496-R500 PolarHBondContact O-N 3.46Å; R500-L503 PolarHBondContact O-N 3.37Å; R500-F504 WeakPolarHBondContact O-CB 3.43Å; R500-F504 PolarHBondContact O-N 3.22Å
501G90.8Very high92Very high21 Ų2134.6 Ų34.622%0.21618%0.176CC..Hα-helixtrans-66.2-43.5177.300000112.5F499 F504 T505F499-G501 VanDerWaalsContact C-N 3.34Å; F499-G501 PolarHBondContact O-N 2.94Å; G501-F504 WeakPolarHBondContact O-CB 3.36Å; G501-F504 PolarHBondContact O-N 2.59Å; G501-T505 WeakPolarHBondContact O-CG2 3.01Å; G501-T505 PolarHBondContact O-N 2.65Å; G501-T505 VanDerWaalsContact O-N 3.08Å; G501-T505 PolarHBondContact O-OG1 2.81Å
502L92.6Very high91.9Very high86 Ų8637.1 Ų37.145%0.4519%0.185SC..Hα-helixtrans-61.5-47.9175177.962.8000110.6M464 F499 F504 T505 V506M464-L502 HydrophobicContact CE-CD2 3.99Å; M464-L502 HydrophobicContact CE-CG 4.22Å; M464-L502 HydrophobicContact SD-CD2 4.45Å; M464-L502 HydrophobicContact SD-CG 4.17Å; F499-L502 HydrophobicContact CD1-CD2 4.35Å; F499-L502 PolarHBondContact O-N 3.44Å; L502-F504 VanDerWaalsContact C-N 3.31Å; L502-F504 PolarHBondContact O-N 3.27Å; L502-T505 PolarHBondContact O-N 3.29Å; L502-T505 VanDerWaalsContact O-N 3.12Å; L502-T505 PolarHBondContact O-OG1 2.99Å; L502-V506 HydrophobicContact CD1-CG2 4.08Å; L502-V506 HydrophobicContact CG-CG2 4.27Å; L502-V506 WeakPolarHBondContact O-CG2 3.29Å; L502-V506 PolarHBondContact O-N 3.36Å
503L94.6Very high91.8Very high1 Ų140.2 Ų40.21%0.00521%0.205CC..Hα-helixtrans-55.3-47.4176.6177.966000111.3M464 T472 Y476 V491 V495 F499 R500 T505 V506 L507M464-L503 HydrophobicContact CE-CB 4.29Å; M464-L503 WeakPolarHBondContact SD-CA 3.43Å; M464-L503 HydrophobicContact SD-CB 3.75Å; M464-L503 HydrophobicContact SD-CD1 3.73Å; M464-L503 HydrophobicContact SD-CG 4.37Å; T472-L503 HydrophobicContact CG2-CD1 3.94Å; Y476-L503 HydrophobicContact CD2-CD1 4.08Å; Y476-L503 HydrophobicContact CE1-CD2 4.03Å; Y476-L503 HydrophobicContact CE2-CD1 3.55Å; Y476-L503 HydrophobicContact CE2-CD2 4.11Å; Y476-L503 HydrophobicContact CE2-CG 4.41Å; Y476-L503 VanDerWaalsContact OH-CD2 3.27Å; Y476-L503 WeakPolarHBondContact OH-CD2 3.5Å; V491-L503 HydrophobicContact CG1-CD2 4.22Å; V491-L503 HydrophobicContact CG2-CD2 4.3Å; V495-L503 HydrophobicContact CG1-CD2 4.26Å; V495-L503 HydrophobicContact CG2-CD2 4.15Å; F499-L503 WeakPolarHBondContact O-CB 3.49Å; F499-L503 PolarHBondContact O-N 3.47Å; R500-L503 PolarHBondContact O-N 3.37Å; L503-T505 VanDerWaalsContact C-N 3.34Å; L503-T505 PolarHBondContact O-N 3.22Å; L503-V506 PolarHBondContact O-N 3.08Å; L503-L507 HydrophobicContact CD1-CD1 3.91Å; L503-L507 HydrophobicContact CD1-CD2 4.33Å; L503-L507 HydrophobicContact CD1-CG 3.91Å; L503-L507 HydrophobicContact CG-CD1 3.87Å; L503-L507 HydrophobicContact CG-CG 4.24Å; L503-L507 WeakPolarHBondContact O-CB 3.29Å; L503-L507 WeakPolarHBondContact O-CG 2.97Å; L503-L507 PolarHBondContact O-N 3.22Å
504F94.3Very high91.7Very high16 Ų1639.9 Ų39.97%0.0720%0.201CC..Hα-helixtrans-55.7-48.4176-178.5-86.5000111.9L349 R500 G501 L502 L507 L508 L557 L560 Q561 A564 P567L349-F504 HydrophobicContact CD2-CB 4.08Å; R500-F504 WeakPolarHBondContact O-CB 3.43Å; R500-F504 PolarHBondContact O-N 3.22Å; G501-F504 WeakPolarHBondContact O-CB 3.36Å; G501-F504 PolarHBondContact O-N 2.59Å; L502-F504 VanDerWaalsContact C-N 3.31Å; L502-F504 PolarHBondContact O-N 3.27Å; F504-L507 PolarHBondContact O-N 3.24Å; F504-L508 HydrophobicContact CE1-CD2 4.4Å; F504-L508 WeakPolarHBondContact O-CB 3.49Å; F504-L508 PolarHBondContact O-N 2.79Å; F504-L557 HydrophobicContact CD2-CD2 3.53Å; F504-L557 HydrophobicContact CE2-CB 4.04Å; F504-L557 HydrophobicContact CE2-CD2 3.77Å; F504-L557 HydrophobicContact CE2-CG 4.48Å; F504-L557 HydrophobicContact CG-CD2 4.21Å; F504-L560 HydrophobicContact CD2-CB 4.34Å; F504-L560 HydrophobicContact CE2-CB 4.42Å; F504-Q561 HydrophobicContact CD2-CG 4.36Å; F504-Q561 VanDerWaalsContact CE1-OE1 3.32Å; F504-Q561 HydrophobicContact CE2-CB 3.86Å; F504-Q561 HydrophobicContact CE2-CG 3.9Å; F504-Q561 HydrophobicContact CZ-CB 3.98Å; F504-Q561 HydrophobicContact CZ-CG 4.2Å; F504-A564 HydrophobicContact CZ-CB 4.36Å; F504-P567 HydrophobicContact CE1-CG 4.47Å; F504-P567 HydrophobicContact CE2-CG 4.02Å; F504-P567 HydrophobicContact CZ-CG 3.46Å; F504-P567 VanDerWaalsContact CZ-CG 3.46Å
505T93.6Very high91.5Very high71 Ų7139.7 Ų39.744%0.43620%0.2SC..Hα-helixtrans-64.9-41.2178.8580000112.8G501 L502 L503 L508 E509G501-T505 WeakPolarHBondContact O-CG2 3.01Å; G501-T505 PolarHBondContact O-N 2.65Å; G501-T505 VanDerWaalsContact O-N 3.08Å; G501-T505 PolarHBondContact O-OG1 2.81Å; L502-T505 PolarHBondContact O-N 3.29Å; L502-T505 VanDerWaalsContact O-N 3.12Å; L502-T505 PolarHBondContact O-OG1 2.99Å; L503-T505 VanDerWaalsContact C-N 3.34Å; L503-T505 PolarHBondContact O-N 3.22Å; T505-L508 PolarHBondContact O-N 3.34Å; T505-E509 WeakPolarHBondContact O-CB 3.48Å; T505-E509 WeakPolarHBondContact O-CG 3.49Å; T505-E509 PolarHBondContact O-N 3.34Å
506V94.5Very high91Very high15 Ų1542.1 Ų42.19%0.09121%0.211CC..Hα-helixtrans-63.5-46.9177.4172.80000110.3M464 N469 L502 L503 L508 E509 Q510M464-V506 HydrophobicContact CG-CG1 4.49Å; M464-V506 HydrophobicContact CG-CG2 4.29Å; M464-V506 HydrophobicContact SD-CB 4.44Å; M464-V506 HydrophobicContact SD-CG2 4.25Å; N469-V506 HydrophobicContact CB-CG1 3.75Å; L502-V506 HydrophobicContact CD1-CG2 4.08Å; L502-V506 HydrophobicContact CG-CG2 4.27Å; L502-V506 WeakPolarHBondContact O-CG2 3.29Å; L502-V506 PolarHBondContact O-N 3.36Å; L503-V506 PolarHBondContact O-N 3.08Å; V506-L508 VanDerWaalsContact C-N 3.34Å; V506-L508 PolarHBondContact O-N 3.36Å; V506-E509 PolarHBondContact O-N 3.36Å; V506-Q510 HydrophobicContact CG1-CG 4.09Å; V506-Q510 VanDerWaalsContact O-CB 3.28Å; V506-Q510 WeakPolarHBondContact O-CB 3.49Å; V506-Q510 WeakPolarHBondContact O-CG 3.07Å; V506-Q510 PolarHBondContact O-N 2.89Å
507L94.9Very high90Very high0 Ų042.2 Ų42.20%022%0.217CC..Hα-helixtrans-63.2-40.3179-68.2179.4000112T472 A473 Y476 L503 F504 G511 L553 L557T472-L507 HydrophobicContact CG2-CD2 4.24Å; A473-L507 HydrophobicContact CB-CD2 4.22Å; Y476-L507 HydrophobicContact CD1-CD1 4.06Å; Y476-L507 HydrophobicContact CD2-CD1 4.23Å; Y476-L507 HydrophobicContact CD2-CD2 3.86Å; Y476-L507 HydrophobicContact CG-CD1 3.83Å; Y476-L507 HydrophobicContact CG-CD2 3.89Å; Y476-L507 HydrophobicContact CG-CG 4.5Å; L503-L507 HydrophobicContact CD1-CD1 3.91Å; L503-L507 HydrophobicContact CD1-CD2 4.33Å; L503-L507 HydrophobicContact CD1-CG 3.91Å; L503-L507 HydrophobicContact CG-CD1 3.87Å; L503-L507 HydrophobicContact CG-CG 4.24Å; L503-L507 WeakPolarHBondContact O-CB 3.29Å; L503-L507 WeakPolarHBondContact O-CG 2.97Å; L503-L507 PolarHBondContact O-N 3.22Å; F504-L507 PolarHBondContact O-N 3.24Å; L507-G511 PolarHBondContact O-N 3.25Å; L507-L553 HydrophobicContact CB-CD1 4.38Å; L507-L553 HydrophobicContact CD1-CD1 4.23Å; L507-L553 HydrophobicContact CD2-CD1 4.23Å; L507-L557 HydrophobicContact CB-CD1 4.41Å; L507-L557 HydrophobicContact CB-CD2 4.03Å; L507-L557 HydrophobicContact CD1-CD2 4.37Å
508L94.2Very high88.6Confident23 Ų2335.8 Ų35.812%0.1220%0.196CC..Hα-helixtrans-63.9-49.6177.3-175.170.3000111.7F504 T505 V506 G511 R512 L557 L570F504-L508 HydrophobicContact CE1-CD2 4.4Å; F504-L508 WeakPolarHBondContact O-CB 3.49Å; F504-L508 PolarHBondContact O-N 2.79Å; T505-L508 PolarHBondContact O-N 3.34Å; V506-L508 VanDerWaalsContact C-N 3.34Å; V506-L508 PolarHBondContact O-N 3.36Å; L508-G511 PolarHBondContact O-N 3.46Å; L508-R512 PolarHBondContact O-N 3.05Å; L508-L557 HydrophobicContact CB-CD1 4.2Å; L508-L557 HydrophobicContact CD1-CD1 4.07Å; L508-L570 HydrophobicContact CD1-CB 4.26Å; L508-L570 HydrophobicContact CD1-CD2 4.1Å
509E92.2Very high86.9Confident92 Ų9233.1 Ų33.143%0.4318%0.184SC..Hα-helixtrans-67.6-42.1-179.5-72.3-55.2131.400112T505 V506 R512 V513T505-E509 WeakPolarHBondContact O-CB 3.48Å; T505-E509 WeakPolarHBondContact O-CG 3.49Å; T505-E509 PolarHBondContact O-N 3.34Å; V506-E509 PolarHBondContact O-N 3.36Å; E509-R512 WeakPolarHBondContact O-CB 3.48Å; E509-R512 PolarHBondContact O-N 2.89Å; E509-R512 IonicContact OE1-NE 3.11Å; E509-R512 IonicContact OE2-NE 2.68Å; E509-V513 WeakPolarHBondContact O-CG2 3.47Å; E509-V513 PolarHBondContact O-N 3.23Å
510Q92.6Very high85Confident35 Ų3537.4 Ų37.416%0.16420%0.203CC..Hα-helixtrans-68.1-37176.5-65.8-57.8-5700111.9N469 A473 V506 R512 V513 M514N469-Q510 HydrophobicContact CB-CG 3.97Å; A473-Q510 HydrophobicContact CB-CB 3.49Å; A473-Q510 VanDerWaalsContact CB-CB 3.49Å; A473-Q510 HydrophobicContact CB-CG 4.23Å; V506-Q510 HydrophobicContact CG1-CG 4.09Å; V506-Q510 VanDerWaalsContact O-CB 3.28Å; V506-Q510 WeakPolarHBondContact O-CB 3.49Å; V506-Q510 WeakPolarHBondContact O-CG 3.07Å; V506-Q510 PolarHBondContact O-N 2.89Å; Q510-R512 VanDerWaalsContact C-N 3.31Å; Q510-R512 PolarHBondContact O-N 3.12Å; Q510-V513 PolarHBondContact O-N 3.36Å; Q510-M514 WeakPolarHBondContact O-CB 3.45Å; Q510-M514 WeakPolarHBondContact O-CG 3.34Å; Q510-M514 PolarHBondContact O-N 3.01Å
511G91.1Very high82.9Confident0 Ų040.7 Ų40.70%022%0.221CC..Hα-helixtrans-58.1-43.3171.900000112.1L507 L508 M514 L515L507-G511 PolarHBondContact O-N 3.25Å; L508-G511 PolarHBondContact O-N 3.46Å; G511-M514 PolarHBondContact O-N 3.27Å; G511-L515 PolarHBondContact O-N 3.32Å
512R90Very high80.9Confident55 Ų5546.5 Ų46.521%0.20824%0.237CC..Hα-helixtrans-60.2-53.1173.5-178.9-164.7-63.1-83.90.5111.3L508 E509 Q510 M514 L515 E516 L570 S635L508-R512 PolarHBondContact O-N 3.05Å; E509-R512 WeakPolarHBondContact O-CB 3.48Å; E509-R512 PolarHBondContact O-N 2.89Å; E509-R512 IonicContact OE1-NE 3.11Å; E509-R512 IonicContact OE2-NE 2.68Å; Q510-R512 VanDerWaalsContact C-N 3.31Å; Q510-R512 PolarHBondContact O-N 3.12Å; R512-M514 VanDerWaalsContact C-N 3.26Å; R512-M514 PolarHBondContact O-N 3.28Å; R512-L515 PolarHBondContact O-N 2.85Å; R512-E516 WeakPolarHBondContact CD-OE1 3.35Å; R512-E516 HydrophobicContact CG-CG 4.41Å; R512-E516 WeakPolarHBondContact CG-OE1 3.42Å; R512-E516 WeakPolarHBondContact O-CG 3.24Å; R512-E516 PolarHBondContact O-N 2.96Å; R512-L570 HydrophobicContact CB-CD1 4.45Å; R512-S635 VanDerWaalsContact NH1-CB 3.31Å; R512-S635 PolarHBondContact NH1-OG 2.95Å
513V88.9Confident78.5Confident69 Ų6946.5 Ų46.542%0.41824%0.243SC..Hα-helixtrans-58-38.5-179.5171.10000111.8E509 Q510 L515 E516 G517E509-V513 WeakPolarHBondContact O-CG2 3.47Å; E509-V513 PolarHBondContact O-N 3.23Å; Q510-V513 PolarHBondContact O-N 3.36Å; V513-L515 VanDerWaalsContact C-N 3.35Å; V513-L515 PolarHBondContact O-N 3.05Å; V513-E516 PolarHBondContact O-N 2.9Å; V513-G517 PolarHBondContact O-N 3.12Å
514M88.8Confident75.8Confident18 Ų1853.7 Ų53.79%0.08928%0.277CS..Hα-helixtrans-63.4-38.3176.9-73.3173.1112.500112.4Y470 A473 M477 Q510 G511 R512 S518 V550Y470-M514 HydrophobicContact CD2-CE 4.47Å; Y470-M514 HydrophobicContact CD2-CG 4.4Å; Y470-M514 HydrophobicContact CE2-CE 3.74Å; Y470-M514 HydrophobicContact CE2-CG 3.9Å; Y470-M514 HydrophobicContact CE2-SD 4.39Å; A473-M514 HydrophobicContact CB-SD 4.27Å; M477-M514 HydrophobicContact CE-CE 3.48Å; M477-M514 VanDerWaalsContact CE-CE 3.48Å; M477-M514 HydrophobicContact CE-SD 3.34Å; M477-M514 WeakPolarHBondContact CE-SD 3.34Å; M477-M514 HydrophobicContact SD-CE 4.43Å; Q510-M514 WeakPolarHBondContact O-CB 3.45Å; Q510-M514 WeakPolarHBondContact O-CG 3.34Å; Q510-M514 PolarHBondContact O-N 3.01Å; G511-M514 PolarHBondContact O-N 3.27Å; R512-M514 VanDerWaalsContact C-N 3.26Å; R512-M514 PolarHBondContact O-N 3.28Å; M514-S518 WeakPolarHBondContact O-CB 3.45Å; M514-S518 PolarHBondContact O-N 3.04Å; M514-S518 VanDerWaalsContact O-N 3.17Å; M514-V550 HydrophobicContact CB-CG2 3.94Å
515L86.4Confident73Confident1 Ų157.3 Ų57.31%0.00531%0.305CS..Hα-helixtrans-69.9-44.5174.1-68.5176.5000111.9G511 R512 V513 G517 S518 A519 P547 V550 L570 D573 A574 Q577 V639G511-L515 PolarHBondContact O-N 3.32Å; R512-L515 PolarHBondContact O-N 2.85Å; V513-L515 VanDerWaalsContact C-N 3.35Å; V513-L515 PolarHBondContact O-N 3.05Å; L515-G517 VanDerWaalsContact C-N 3.32Å; L515-G517 PolarHBondContact O-N 3.45Å; L515-S518 PolarHBondContact O-N 3.2Å; L515-S518 PolarHBondContact O-OG 3.35Å; L515-A519 PolarHBondContact O-N 3.43Å; L515-P547 HydrophobicContact CD2-CB 4.09Å; L515-V550 HydrophobicContact CD1-CG1 3.88Å; L515-V550 HydrophobicContact CD2-CB 4.01Å; L515-V550 HydrophobicContact CD2-CG1 4.15Å; L515-V550 HydrophobicContact CD2-CG2 4.07Å; L515-V550 HydrophobicContact CG-CB 4.21Å; L515-V550 HydrophobicContact CG-CG1 3.84Å; L515-V550 HydrophobicContact CG-CG2 4.21Å; L515-L570 HydrophobicContact CD1-CD1 3.69Å; L515-D573 HydrophobicContact CD1-CB 3.82Å; L515-A574 HydrophobicContact CD1-CB 4.2Å; L515-A574 HydrophobicContact CD2-CB 4.38Å; L515-Q577 HydrophobicContact CD2-CG 4.49Å; L515-V639 HydrophobicContact CB-CG2 4.26Å
516E83.7Confident70.3Confident52 Ų5257.3 Ų57.324%0.24332%0.319CS..Hα-helixtrans-61.3-38.7178.5-65.7179.9-178.200112.4R512 V513 A638 V639R512-E516 WeakPolarHBondContact CD-OE1 3.35Å; R512-E516 HydrophobicContact CG-CG 4.41Å; R512-E516 WeakPolarHBondContact CG-OE1 3.42Å; R512-E516 WeakPolarHBondContact O-CG 3.24Å; R512-E516 PolarHBondContact O-N 2.96Å; V513-E516 PolarHBondContact O-N 2.9Å; E516-A638 HydrophobicContact CB-CB 4.22Å; E516-A638 HydrophobicContact CG-CB 3.68Å; E516-V639 HydrophobicContact CG-CG2 4.11Å
517G68.1Low67.5Low32 Ų3261.3 Ų61.333%0.3335%0.347SS..Hα-helixtrans-69.7-37.6175.400000113.4V513 L515 A519 K520 D521V513-G517 PolarHBondContact O-N 3.12Å; L515-G517 VanDerWaalsContact C-N 3.32Å; L515-G517 PolarHBondContact O-N 3.45Å; G517-A519 PolarHBondContact O-N 3.45Å; G517-K520 PolarHBondContact O-N 2.92Å; G517-D521 PolarHBondContact O-N 3.29Å
518S58.7Low64.4Low17 Ų1766.2 Ų66.212%0.11938%0.381CS..Hα-helixtrans-64.8-26.5179.374.10000113.9M514 L515M514-S518 WeakPolarHBondContact O-CB 3.45Å; M514-S518 PolarHBondContact O-N 3.04Å; M514-S518 VanDerWaalsContact O-N 3.17Å; L515-S518 PolarHBondContact O-N 3.2Å; L515-S518 PolarHBondContact O-OG 3.35Å
519A52Low61.5Low20 Ų2073.3 Ų73.317%0.16542%0.42CS..Hα-helixtrans-74.8-32.4176.800000112.8L515 G517L515-A519 PolarHBondContact O-N 3.43Å; G517-A519 PolarHBondContact O-N 3.45Å
520K51.5Low58.5Low149 Ų14975.8 Ų75.865%0.64844%0.436SS*.Hα-helixtrans-73.9-40.5177.7-69-179.2178.2179.70112.7G517 R522 S523 E524G517-K520 PolarHBondContact O-N 2.92Å; K520-R522 PolarHBondContact O-N 3.03Å; K520-S523 PolarHBondContact O-N 2.97Å; K520-S523 VanDerWaalsContact O-N 3.14Å; K520-S523 PolarHBondContact O-OG 3.12Å; K520-E524 PolarHBondContact O-N 3.26Å
521D47.1Very low56Low81 Ų8179.7 Ų79.743%0.43346%0.464SS..Hα-helixtrans-62-26.5177.9-74.4-6.7000111.8G517 S525 K545G517-D521 PolarHBondContact O-N 3.29Å; D521-S525 PolarHBondContact O-OG 2.96Å; D521-K545 IonicContact OD2-NZ 2.68Å; D521-K545 PolarHBondContact OD2-NZ 3.12Å
522R49.3Very low53.1Low144 Ų14487.8 Ų87.854%0.54350%0.502SS..Hα-helixtrans-80-26.8176.5-74.7-176.9175.9175.7-1.1114.2K520 S525K520-R522 PolarHBondContact O-N 3.03Å; R522-S525 PolarHBondContact O-OG 3.15Å
523S42.7Very low50.2Low85 Ų8593.9 Ų93.959%0.59453%0.533SS*.Hα-helixtrans-76.6-30178.543.10000113.2K520K520-S523 PolarHBondContact O-N 2.97Å; K520-S523 VanDerWaalsContact O-N 3.14Å; K520-S523 PolarHBondContact O-OG 3.12Å
524E37.4Very low47.4Very low152 Ų15296.5 Ų96.571%0.7155%0.551SS**Hα-helixtrans-83.9-24179.7-68-178.5176.700113K520 G526K520-E524 PolarHBondContact O-N 3.26Å; E524-G526 PolarHBondContact O-N 3.21Å
525S35.3Very low44.7Very low93 Ų93104.8 Ų104.865%0.6559%0.586SS**THydrogen-bonded Turntrans-74.6-3.617858.70000114.9D521 R522D521-S525 PolarHBondContact O-OG 2.96Å; R522-S525 PolarHBondContact O-OG 3.15Å
526G37Very low41.9Very low71 Ų71114.1 Ų114.173%0.73263%0.629SS**THydrogen-bonded Turntrans-94.3-0.3-175.800000115.6E524E524-G526 PolarHBondContact O-N 3.21Å
527S35.8Very low39.5Very low99 Ų99121.6 Ų121.669%0.69266%0.661SS**SBendtrans-140.267.5-174.364.60000112.9
528S29.3Very low37.5Very low102 Ų102123.6 Ų123.671%0.71368%0.682SS**  trans-16483.7156.363.70000109.7D530S528-D530 VanDerWaalsContact C-N 3.35Å; S528-D530 PolarHBondContact O-N 3.38Å
529D34.4Very low35.8Very low173 Ų173131.4 Ų131.493%0.92572%0.716SS**  trans-77.292.9157-88.8-25.3000107.3
530D28.6Very low34.7Very low144 Ų144136.4 Ų136.477%0.7775%0.747SS**  trans-141.4104.6163.4-133.2-9.9000108.6S528 Q532S528-D530 VanDerWaalsContact C-N 3.35Å; S528-D530 PolarHBondContact O-N 3.38Å; D530-Q532 PolarHBondContact O-N 2.68Å; D530-Q532 VanDerWaalsContact O-N 3.11Å
531P41Very low33.7Very low117 Ų117138.2 Ų138.276%0.7676%0.758SS**  trans-90.269.5-171.234.9-32.4000110.2
532Q30.2Very low32.8Very low170 Ų170137.8 Ų137.879%0.79477%0.765SS**  trans-161.258.8174.9-116166.56100114.8D530D530-Q532 PolarHBondContact O-N 2.68Å; D530-Q532 VanDerWaalsContact O-N 3.11Å
533H28.4Very low32.2Very low183 Ų183135.8 Ų135.885%0.84777%0.771SS**  trans-153.5120.6149.8-92-59.6000110.9K535H533-K535 PolarHBondContact O-N 3.13Å; H533-K535 VanDerWaalsContact O-N 3.12Å
534P30.9Very low32.2Very low124 Ų124132.8 Ų132.881%0.80575%0.75SS**  trans-71.9110.6176.728.6-30.1000109.1H536P534-H536 PolarHBondContact O-N 3.5Å
535K30.5Very low33Very low191 Ų191131.5 Ų131.583%0.8374%0.742SS**  trans-55.5125.9169.9-70.4177.7177.8175.40109.3H533 K537H533-K535 PolarHBondContact O-N 3.13Å; H533-K535 VanDerWaalsContact O-N 3.12Å; K535-K537 PolarHBondContact O-N 2.84Å
536H28.9Very low34.7Very low197 Ų197129.2 Ų129.291%0.91273%0.725SS**  trans-51.3107.5164.8-96-77.6000109.6P534 G538P534-H536 PolarHBondContact O-N 3.5Å; H536-G538 PolarHBondContact O-N 2.82Å
537K32.8Very low36.9Very low210 Ų210126.6 Ų126.691%0.91369%0.694SS**  trans-69.4119.6164.6-76.6176.9173.11770107.6K535K535-K537 PolarHBondContact O-N 2.84Å
538G25.5Very low39.3Very low74 Ų74125 Ų12576%0.76368%0.681SS**  trans165.84174.200000118.9H536H536-G538 PolarHBondContact O-N 2.82Å
539Q24.2Very low42Very low180 Ų180120.2 Ų120.284%0.84165%0.647SS**SBendtrans-132.2122.9165.5-75.7-177.2-8.500109Q541Q539-Q541 PolarHBondContact O-N 3.21Å; Q539-Q541 VanDerWaalsContact O-N 3.13Å
540P27.7Very low44.7Very low125 Ų125112.1 Ų112.181%0.81260%0.604SS**  trans-60.1119.6171-10.723.3000107.6A542P540-A542 PolarHBondContact O-N 3.4Å
541Q29.9Very low47.7Very low188 Ų188107.6 Ų107.688%0.87958%0.578SS**  trans-53.7114.3167.4-75.3176.9-21.100107.7Q539Q539-Q541 PolarHBondContact O-N 3.21Å; Q539-Q541 VanDerWaalsContact O-N 3.13Å
542A29.7Very low50.1Low71 Ų71103.7 Ų103.759%0.58755%0.553SS**  trans-57.2127.9-177.700000110P540 S544P540-A542 PolarHBondContact O-N 3.4Å; A542-S544 PolarHBondContact O-N 3.39Å
543P35.7Very low53.1Low103 Ų10395.6 Ų95.667%0.66952%0.515SS*.THydrogen-bonded Turntrans-74.133.2-176.930.1-35.9000113.6
544S43.2Very low56.2Low21 Ų2186.9 Ų86.915%0.14748%0.475CS..THydrogen-bonded Turntrans-107.2-14.4-161.960.50000115.6A542 T546A542-S544 PolarHBondContact O-N 3.39Å; S544-T546 VanDerWaalsContact C-N 3.29Å; S544-T546 PolarHBondContact O-N 3.06Å
545K54.2Low59.1Low126 Ų12682.2 Ų82.255%0.54845%0.45SS..SBendtrans-90.326.3175.2-66.1-172174.8-175.70113.5D521D521-K545 IonicContact OD2-NZ 2.68Å; D521-K545 PolarHBondContact OD2-NZ 3.12Å
546T71.3Confident62.1Low45 Ų4573.1 Ų73.128%0.27641%0.41SS..  trans-92.6136.7-169.353.60000112S544 T548 G549 V550S544-T546 VanDerWaalsContact C-N 3.29Å; S544-T546 PolarHBondContact O-N 3.06Å; T546-T548 WeakPolarHBondContact CB-OG1 3.46Å; T546-T548 PolarHBondContact O-N 3.33Å; T546-T548 VanDerWaalsContact O-N 3.11Å; T546-T548 PolarHBondContact OG1-OG1 3.16Å; T546-T548 VanDerWaalsContact OG1-OG1 3.06Å; T546-G549 PolarHBondContact O-N 3.49Å; T546-V550 PolarHBondContact O-N 3.33Å
547P82.5Confident65.2Low15 Ų1563.7 Ų63.710%0.09737%0.367CS..Hα-helixtrans-59.1-22.917422.3-32.1000112.5L515 V550 H551 Q577 L578L515-P547 HydrophobicContact CD2-CB 4.09Å; P547-V550 PolarHBondContact O-N 3.36Å; P547-H551 WeakPolarHBondContact O-CB 3.34Å; P547-H551 PolarHBondContact O-N 3.42Å; P547-Q577 HydrophobicContact CB-CB 3.97Å; P547-L578 HydrophobicContact CB-CD2 4.05Å; P547-L578 HydrophobicContact CB-CG 4.15Å; P547-L578 HydrophobicContact CG-CD2 3.75Å; P547-L578 HydrophobicContact CG-CG 4.34Å
548T86.9Confident67.9Low67 Ų6755.8 Ų55.841%0.41133%0.333SS..Hα-helixtrans-64.2-38.3171.253.60000113T546 S552 L578T546-T548 WeakPolarHBondContact CB-OG1 3.46Å; T546-T548 PolarHBondContact O-N 3.33Å; T546-T548 VanDerWaalsContact O-N 3.11Å; T546-T548 PolarHBondContact OG1-OG1 3.16Å; T546-T548 VanDerWaalsContact OG1-OG1 3.06Å; T548-S552 PolarHBondContact O-N 2.95Å; T548-S552 VanDerWaalsContact O-N 3.15Å; T548-S552 PolarHBondContact O-OG 3.47Å; T548-L578 HydrophobicContact CG2-CD1 4.34Å; T548-L578 HydrophobicContact CG2-CD2 3.5Å; T548-L578 VanDerWaalsContact CG2-CD2 3.5Å
549G86.4Confident71Confident0 Ų056 Ų560%032%0.317CS..Hα-helixtrans-64.6-49.4173.900000111.1M477 T546 H551 S552 L553M477-G549 VanDerWaalsContact CG-CA 3.47Å; M477-G549 VanDerWaalsContact CG-O 3.25Å; M477-G549 WeakPolarHBondContact CG-O 3.41Å; M477-G549 VanDerWaalsContact SD-C 3.59Å; M477-G549 WeakPolarHBondContact SD-CA 3.34Å; T546-G549 PolarHBondContact O-N 3.49Å; G549-H551 VanDerWaalsContact C-N 3.29Å; G549-H551 PolarHBondContact O-N 3.34Å; G549-S552 WeakPolarHBondContact O-CB 3.43Å; G549-S552 PolarHBondContact O-N 3.49Å; G549-S552 VanDerWaalsContact O-N 3.09Å; G549-L553 PolarHBondContact O-N 3.3Å
550V90.1Very high74.1Confident3 Ų347.5 Ų47.52%0.01828%0.277CS..Hα-helixtrans-60.6-38.8177.5-176.40000111.6M477 M514 L515 T546 P547 S552 L553 A554 L570 A574M477-V550 HydrophobicContact CE-CG2 3.8Å; M514-V550 HydrophobicContact CB-CG2 3.94Å; L515-V550 HydrophobicContact CD1-CG1 3.88Å; L515-V550 HydrophobicContact CD2-CB 4.01Å; L515-V550 HydrophobicContact CD2-CG1 4.15Å; L515-V550 HydrophobicContact CD2-CG2 4.07Å; L515-V550 HydrophobicContact CG-CB 4.21Å; L515-V550 HydrophobicContact CG-CG1 3.84Å; L515-V550 HydrophobicContact CG-CG2 4.21Å; T546-V550 PolarHBondContact O-N 3.33Å; P547-V550 PolarHBondContact O-N 3.36Å; V550-S552 VanDerWaalsContact C-N 3.33Å; V550-S552 PolarHBondContact O-N 3.19Å; V550-L553 PolarHBondContact O-N 2.94Å; V550-A554 WeakPolarHBondContact O-CB 3.49Å; V550-A554 PolarHBondContact O-N 2.96Å; V550-L570 HydrophobicContact CG1-CD1 3.89Å; V550-L570 HydrophobicContact CG1-CD2 4.2Å; V550-L570 HydrophobicContact CG1-CG 4.02Å; V550-A574 HydrophobicContact CG1-CB 4.49Å
551H92.5Very high76.9Confident50 Ų5044.5 Ų44.523%0.23125%0.252CS..Hα-helixtrans-59.1-42.6174.2-178.857.8000112.4P547 G549 A554 G555 A574 L578P547-H551 WeakPolarHBondContact O-CB 3.34Å; P547-H551 PolarHBondContact O-N 3.42Å; G549-H551 VanDerWaalsContact C-N 3.29Å; G549-H551 PolarHBondContact O-N 3.34Å; H551-A554 PolarHBondContact O-N 3.02Å; H551-G555 PolarHBondContact O-N 3.42Å; H551-A574 HydrophobicContact CB-CB 3.89Å; H551-L578 HydrophobicContact CB-CD1 4.27Å
552S90.9Very high79.5Confident34 Ų3438.8 Ų38.824%0.23823%0.232CC..Hα-helixtrans-66.3-40177.7-51.50000111.8S480 R481 T548 G549 V550 G555 L556S480-S552 WeakPolarHBondContact CB-O 3.38Å; R481-S552 VanDerWaalsContact CG-OG 3.26Å; R481-S552 WeakPolarHBondContact CG-OG 3.46Å; T548-S552 PolarHBondContact O-N 2.95Å; T548-S552 VanDerWaalsContact O-N 3.15Å; T548-S552 PolarHBondContact O-OG 3.47Å; G549-S552 WeakPolarHBondContact O-CB 3.43Å; G549-S552 PolarHBondContact O-N 3.49Å; G549-S552 VanDerWaalsContact O-N 3.09Å; V550-S552 VanDerWaalsContact C-N 3.33Å; V550-S552 PolarHBondContact O-N 3.19Å; S552-G555 PolarHBondContact O-N 3.22Å; S552-L556 PolarHBondContact O-N 3.11Å; S552-L556 VanDerWaalsContact O-N 3.16Å
553L93.7Very high82Confident0 Ų043.6 Ų43.60%024%0.242CC..Hα-helixtrans-64.6-42.1174179.666.1000111.6L507 G549 V550 G555 L556 L557L507-L553 HydrophobicContact CB-CD1 4.38Å; L507-L553 HydrophobicContact CD1-CD1 4.23Å; L507-L553 HydrophobicContact CD2-CD1 4.23Å; G549-L553 PolarHBondContact O-N 3.3Å; V550-L553 PolarHBondContact O-N 2.94Å; L553-G555 VanDerWaalsContact C-N 3.33Å; L553-G555 PolarHBondContact O-N 3.42Å; L553-L556 HydrophobicContact CD1-CD2 4.41Å; L553-L556 WeakPolarHBondContact O-CB 3.4Å; L553-L556 PolarHBondContact O-N 3.31Å; L553-L557 HydrophobicContact CG-CD1 4.5Å; L553-L557 WeakPolarHBondContact O-CG 3.43Å; L553-L557 PolarHBondContact O-N 3.18Å
554A92.9Very high84.4Confident0 Ų039.8 Ų39.80%022%0.219CC..Hα-helixtrans-66.7-35.9178.800000111.7V550 H551 L557 M558 L570 T571V550-A554 WeakPolarHBondContact O-CB 3.49Å; V550-A554 PolarHBondContact O-N 2.96Å; H551-A554 PolarHBondContact O-N 3.02Å; A554-L557 PolarHBondContact O-N 2.77Å; A554-M558 WeakPolarHBondContact O-CG 3.47Å; A554-M558 PolarHBondContact O-N 3.42Å; A554-L570 HydrophobicContact CB-CB 4.18Å; A554-L570 HydrophobicContact CB-CD2 3.93Å; A554-L570 HydrophobicContact CB-CG 3.92Å; A554-T571 WeakPolarHBondContact CB-OG1 3.49Å
555G92.1Very high86.4Confident26 Ų2640.5 Ų40.527%0.26822%0.221SC..Hα-helixtrans-58-47.416900000112.6H551 S552 L553 L557 M558 D559H551-G555 PolarHBondContact O-N 3.42Å; S552-G555 PolarHBondContact O-N 3.22Å; L553-G555 VanDerWaalsContact C-N 3.33Å; L553-G555 PolarHBondContact O-N 3.42Å; G555-L557 VanDerWaalsContact C-N 3.32Å; G555-L557 PolarHBondContact O-N 3.09Å; G555-M558 WeakPolarHBondContact O-CB 3.33Å; G555-M558 PolarHBondContact O-N 2.9Å; G555-D559 PolarHBondContact O-N 2.91Å
556L92.9Very high88Confident0 Ų035.4 Ų35.40%021%0.205CC..Hα-helixtrans-56.6-46.1172.2171.971.9000111.5Y476 S480 T487 A488 S552 L553 M558 D559 L560Y476-L556 HydrophobicContact CD1-CD2 4.31Å; S480-L556 WeakPolarHBondContact OG-CD2 3.31Å; T487-L556 HydrophobicContact CG2-CD1 3.87Å; T487-L556 HydrophobicContact CG2-CD2 3.54Å; T487-L556 HydrophobicContact CG2-CG 4.33Å; A488-L556 HydrophobicContact CB-CD1 3.76Å; S552-L556 PolarHBondContact O-N 3.11Å; S552-L556 VanDerWaalsContact O-N 3.16Å; L553-L556 HydrophobicContact CD1-CD2 4.41Å; L553-L556 WeakPolarHBondContact O-CB 3.4Å; L553-L556 PolarHBondContact O-N 3.31Å; L556-M558 VanDerWaalsContact C-N 3.28Å; L556-M558 PolarHBondContact O-N 3.46Å; L556-D559 WeakPolarHBondContact O-CB 3.45Å; L556-D559 PolarHBondContact O-N 3.31Å; L556-D559 VanDerWaalsContact O-N 3.15Å; L556-L560 HydrophobicContact CD1-CD1 4.41Å; L556-L560 HydrophobicContact CD1-CG 4.31Å; L556-L560 HydrophobicContact CG-CD1 4.13Å; L556-L560 HydrophobicContact CG-CG 4.38Å; L556-L560 WeakPolarHBondContact O-CG 3.48Å; L556-L560 PolarHBondContact O-N 3.49Å
557L93.1Very high89Confident0 Ų033.3 Ų33.30%019%0.192CC..Hα-helixtrans-64.6-33.5-179.1-66.8173000112.1F504 L507 L508 L553 A554 G555 L560 Q561 P567 L570F504-L557 HydrophobicContact CD2-CD2 3.53Å; F504-L557 HydrophobicContact CE2-CB 4.04Å; F504-L557 HydrophobicContact CE2-CD2 3.77Å; F504-L557 HydrophobicContact CE2-CG 4.48Å; F504-L557 HydrophobicContact CG-CD2 4.21Å; L507-L557 HydrophobicContact CB-CD1 4.41Å; L507-L557 HydrophobicContact CB-CD2 4.03Å; L507-L557 HydrophobicContact CD1-CD2 4.37Å; L508-L557 HydrophobicContact CB-CD1 4.2Å; L508-L557 HydrophobicContact CD1-CD1 4.07Å; L553-L557 HydrophobicContact CG-CD1 4.5Å; L553-L557 WeakPolarHBondContact O-CG 3.43Å; L553-L557 PolarHBondContact O-N 3.18Å; A554-L557 PolarHBondContact O-N 2.77Å; G555-L557 VanDerWaalsContact C-N 3.32Å; G555-L557 PolarHBondContact O-N 3.09Å; L557-L560 HydrophobicContact CD2-CD1 4.44Å; L557-L560 PolarHBondContact O-N 3.25Å; L557-Q561 PolarHBondContact O-N 2.75Å; L557-P567 HydrophobicContact CB-CB 3.84Å; L557-P567 HydrophobicContact CB-CG 3.88Å; L557-L570 HydrophobicContact CD1-CD2 4.15Å
558M91.2Very high89.4Confident44 Ų4433.6 Ų33.622%0.21719%0.192CC..Hα-helixtrans-65.3-42.5171.3-75.1176.544.800111.8A554 G555 L556 L560 Q561 P562 P567 T571 L587A554-M558 WeakPolarHBondContact O-CG 3.47Å; A554-M558 PolarHBondContact O-N 3.42Å; G555-M558 WeakPolarHBondContact O-CB 3.33Å; G555-M558 PolarHBondContact O-N 2.9Å; L556-M558 VanDerWaalsContact C-N 3.28Å; L556-M558 PolarHBondContact O-N 3.46Å; M558-L560 VanDerWaalsContact C-N 3.27Å; M558-L560 PolarHBondContact O-N 3.27Å; M558-Q561 CarbonylContact O-C 3.33Å; M558-Q561 PolarHBondContact O-N 3.12Å; M558-P562 VanDerWaalsContact O-CA 3.29Å; M558-P562 WeakPolarHBondContact O-CA 3.42Å; M558-P562 WeakPolarHBondContact O-CD 3.27Å; M558-P562 WeakPolarHBondContact O-CG 3.39Å; M558-P567 HydrophobicContact CB-CB 4.47Å; M558-P567 HydrophobicContact CG-CB 3.66Å; M558-T571 HydrophobicContact SD-CG2 4.15Å; M558-T571 PolarHBondContact SD-OG1 2.93Å; M558-T571 VanDerWaalsContact SD-OG1 3.32Å; M558-L587 HydrophobicContact CE-CD1 4.34Å; M558-L587 HydrophobicContact SD-CD1 4.26Å
559D89.1Confident89.6Confident78 Ų7831 Ų3142%0.41718%0.175SC..Hα-helixtrans-64.4-32.7175.5-67-18.4000112.1R492 G555 L556R492-D559 PolarHBondContact NH2-O 3.13Å; G555-D559 PolarHBondContact O-N 2.91Å; L556-D559 WeakPolarHBondContact O-CB 3.45Å; L556-D559 PolarHBondContact O-N 3.31Å; L556-D559 VanDerWaalsContact O-N 3.15Å
560L89.3Confident90Very high2 Ų231.3 Ų31.31%0.0118%0.177CC..Hα-helixtrans-73.6-40.9175.8-67.5178.4000112.2L349 A488 V491 R492 F504 L556 L557 M558L349-L560 HydrophobicContact CD1-CB 4.25Å; L349-L560 HydrophobicContact CD1-CD2 3.92Å; A488-L560 HydrophobicContact CB-CD2 4.38Å; V491-L560 HydrophobicContact CB-CD1 4.44Å; V491-L560 HydrophobicContact CB-CD2 4.14Å; V491-L560 HydrophobicContact CG1-CD1 3.88Å; V491-L560 HydrophobicContact CG1-CD2 3.95Å; R492-L560 HydrophobicContact CG-CD2 3.89Å; R492-L560 PolarHBondContact NH2-O 2.93Å; R492-L560 VanDerWaalsContact NH2-O 3.16Å; F504-L560 HydrophobicContact CD2-CB 4.34Å; F504-L560 HydrophobicContact CE2-CB 4.42Å; L556-L560 HydrophobicContact CD1-CD1 4.41Å; L556-L560 HydrophobicContact CD1-CG 4.31Å; L556-L560 HydrophobicContact CG-CD1 4.13Å; L556-L560 HydrophobicContact CG-CG 4.38Å; L556-L560 WeakPolarHBondContact O-CG 3.48Å; L556-L560 PolarHBondContact O-N 3.49Å; L557-L560 HydrophobicContact CD2-CD1 4.44Å; L557-L560 PolarHBondContact O-N 3.25Å; M558-L560 VanDerWaalsContact C-N 3.27Å; M558-L560 PolarHBondContact O-N 3.27Å
561Q87.4Confident90.1Very high61 Ų6131.4 Ų31.429%0.28518%0.177SC..  trans-141.588.7178.5-67.8-164.8-34.800112.1F504 L557 M558 H563 A564F504-Q561 HydrophobicContact CD2-CG 4.36Å; F504-Q561 VanDerWaalsContact CE1-OE1 3.32Å; F504-Q561 HydrophobicContact CE2-CB 3.86Å; F504-Q561 HydrophobicContact CE2-CG 3.9Å; F504-Q561 HydrophobicContact CZ-CB 3.98Å; F504-Q561 HydrophobicContact CZ-CG 4.2Å; L557-Q561 PolarHBondContact O-N 2.75Å; M558-Q561 CarbonylContact O-C 3.33Å; M558-Q561 PolarHBondContact O-N 3.12Å; Q561-H563 PolarHBondContact O-N 2.77Å; Q561-A564 HydrophobicContact CB-CB 3.98Å; Q561-A564 PolarHBondContact O-N 2.85Å
562P84.6Confident90.2Very high69 Ų6929.1 Ų29.145%0.44817%0.167SC..THydrogen-bonded Turntrans-67.7-16.4-177-22.732.7000115.1M558 H568M558-P562 VanDerWaalsContact O-CA 3.29Å; M558-P562 WeakPolarHBondContact O-CA 3.42Å; M558-P562 WeakPolarHBondContact O-CD 3.27Å; M558-P562 WeakPolarHBondContact O-CG 3.39Å; P562-H568 PolarHBondContact O-CE1 3.48Å
563H81.9Confident90.3Very high171 Ų17127.8 Ų27.879%0.79216%0.157SC*.THydrogen-bonded Turntrans-99-2.7-176.9-58.882.5000112.9Q561Q561-H563 PolarHBondContact O-N 2.77Å
564A85.1Confident90.2Very high24 Ų2427.8 Ų27.820%0.19816%0.157CC..  trans-86.2130.5-177.700000110.9F504 Q561 G566 P567 H568F504-A564 HydrophobicContact CZ-CB 4.36Å; Q561-A564 HydrophobicContact CB-CB 3.98Å; Q561-A564 PolarHBondContact O-N 2.85Å; A564-G566 VanDerWaalsContact C-N 3.31Å; A564-G566 PolarHBondContact O-N 3.07Å; A564-P567 HydrophobicContact CB-CG 4.1Å; A564-P567 WeakPolarHBondContact O-CD 3.45Å; A564-H568 PolarHBondContact O-ND1 3.35Å
565D85.3Confident90.2Very high36 Ų3628 Ų2819%0.19316%0.158CC..Hα-helixtrans-68-32.3178.8-58.7-40.5000112.5H568 I569 R597D565-H568 PolarHBondContact O-N 3.36Å; D565-I569 HydrophobicContact CB-CD1 4.2Å; D565-I569 WeakPolarHBondContact O-CB 3.41Å; D565-I569 WeakPolarHBondContact O-CG1 3.43Å; D565-I569 PolarHBondContact O-N 3.13Å; D565-R597 WeakPolarHBondContact OD2-CD 3.42Å; D565-R597 IonicContact OD2-CZ 2.62Å; D565-R597 VanDerWaalsContact OD2-CZ 3.26Å; D565-R597 IonicContact OD2-NE 2.65Å; D565-R597 IonicContact OD2-NH1 3.31Å; D565-R597 PolarHBondContact OD2-NH1 3.31Å
566G88.9Confident90.2Very high19 Ų1927.2 Ų27.220%0.19615%0.147CC..Hα-helixtrans-54.8-55.6-176.100000113.6A564 H568 I569 L570A564-G566 VanDerWaalsContact C-N 3.31Å; A564-G566 PolarHBondContact O-N 3.07Å; G566-H568 VanDerWaalsContact C-N 3.34Å; G566-H568 PolarHBondContact O-N 2.82Å; G566-I569 WeakPolarHBondContact O-CB 3.39Å; G566-I569 PolarHBondContact O-N 2.81Å; G566-L570 PolarHBondContact O-N 3.17Å
567P91.6Very high89.9Confident1 Ų127.8 Ų27.81%0.00615%0.15CC..Hα-helixtrans-56.2-43.5175.5-2834.5000113.6F504 L557 M558 A564 I569 L570 T571F504-P567 HydrophobicContact CE1-CG 4.47Å; F504-P567 HydrophobicContact CE2-CG 4.02Å; F504-P567 HydrophobicContact CZ-CG 3.46Å; F504-P567 VanDerWaalsContact CZ-CG 3.46Å; L557-P567 HydrophobicContact CB-CB 3.84Å; L557-P567 HydrophobicContact CB-CG 3.88Å; M558-P567 HydrophobicContact CB-CB 4.47Å; M558-P567 HydrophobicContact CG-CB 3.66Å; A564-P567 HydrophobicContact CB-CG 4.1Å; A564-P567 WeakPolarHBondContact O-CD 3.45Å; P567-I569 PolarHBondContact O-N 2.89Å; P567-L570 PolarHBondContact O-N 3.38Å; P567-T571 WeakPolarHBondContact O-CB 3.21Å; P567-T571 PolarHBondContact O-N 2.61Å; P567-T571 PolarHBondContact O-OG1 3.47Å
568H91.5Very high89.8Confident21 Ų2130.5 Ų30.510%0.09716%0.164CC..Hα-helixtrans-64.1-42.9179.2-66.586.7000112.2P562 A564 D565 G566 L570 T571 A572 L587 V591P562-H568 PolarHBondContact O-CE1 3.48Å; A564-H568 PolarHBondContact O-ND1 3.35Å; D565-H568 PolarHBondContact O-N 3.36Å; G566-H568 VanDerWaalsContact C-N 3.34Å; G566-H568 PolarHBondContact O-N 2.82Å; H568-L570 VanDerWaalsContact C-N 3.35Å; H568-T571 PolarHBondContact O-N 3.11Å; H568-A572 WeakPolarHBondContact O-CB 3.36Å; H568-A572 PolarHBondContact O-N 3.17Å; H568-L587 HydrophobicContact CB-CD2 3.99Å; H568-L587 VanDerWaalsContact O-CD2 3.25Å; H568-L587 WeakPolarHBondContact O-CD2 3.39Å; H568-V591 HydrophobicContact CB-CG2 3.7Å; H568-V591 WeakPolarHBondContact CD2-CG2 3.49Å
569I92.1Very high89.6Confident12 Ų1231.1 Ų31.16%0.06218%0.182CC..Hα-helixtrans-58.4-47.9173.1-79.3165.5000110.6D565 G566 P567 T571 A572 D573 P599 V600 R603D565-I569 HydrophobicContact CB-CD1 4.2Å; D565-I569 WeakPolarHBondContact O-CB 3.41Å; D565-I569 WeakPolarHBondContact O-CG1 3.43Å; D565-I569 PolarHBondContact O-N 3.13Å; G566-I569 WeakPolarHBondContact O-CB 3.39Å; G566-I569 PolarHBondContact O-N 2.81Å; P567-I569 PolarHBondContact O-N 2.89Å; I569-T571 VanDerWaalsContact C-N 3.34Å; I569-T571 PolarHBondContact O-N 2.48Å; I569-A572 PolarHBondContact O-N 2.94Å; I569-D573 WeakPolarHBondContact O-CB 3.48Å; I569-D573 VanDerWaalsContact O-CG 3.3Å; I569-D573 PolarHBondContact O-N 3.07Å; I569-P599 HydrophobicContact CD1-CB 3.73Å; I569-V600 HydrophobicContact CD1-CG2 4.11Å; I569-V600 HydrophobicContact CG1-CG2 4.21Å; I569-R603 VanDerWaalsContact CG2-NE 3.3Å
570L92.9Very high89.8Confident6 Ų632.4 Ų32.43%0.03118%0.181CC..Hα-helixtrans-63.7-40.5179.6-174.966.3000111.7L508 R512 L515 V550 A554 L557 G566 P567 H568 D573 A574L508-L570 HydrophobicContact CD1-CB 4.26Å; L508-L570 HydrophobicContact CD1-CD2 4.1Å; R512-L570 HydrophobicContact CB-CD1 4.45Å; L515-L570 HydrophobicContact CD1-CD1 3.69Å; V550-L570 HydrophobicContact CG1-CD1 3.89Å; V550-L570 HydrophobicContact CG1-CD2 4.2Å; V550-L570 HydrophobicContact CG1-CG 4.02Å; A554-L570 HydrophobicContact CB-CB 4.18Å; A554-L570 HydrophobicContact CB-CD2 3.93Å; A554-L570 HydrophobicContact CB-CG 3.92Å; L557-L570 HydrophobicContact CD1-CD2 4.15Å; G566-L570 PolarHBondContact O-N 3.17Å; P567-L570 PolarHBondContact O-N 3.38Å; H568-L570 VanDerWaalsContact C-N 3.35Å; L570-D573 PolarHBondContact O-N 3.16Å; L570-A574 WeakPolarHBondContact O-CB 3.3Å; L570-A574 PolarHBondContact O-N 3.44Å
571T93.6Very high89.9Confident5 Ų533 Ų333%0.03119%0.185CC..Hα-helixtrans-62.3-45174.7-59.60000111.1A554 M558 P567 H568 I569 A574 L575 L587A554-T571 WeakPolarHBondContact CB-OG1 3.49Å; M558-T571 HydrophobicContact SD-CG2 4.15Å; M558-T571 PolarHBondContact SD-OG1 2.93Å; M558-T571 VanDerWaalsContact SD-OG1 3.32Å; P567-T571 WeakPolarHBondContact O-CB 3.21Å; P567-T571 PolarHBondContact O-N 2.61Å; P567-T571 PolarHBondContact O-OG1 3.47Å; H568-T571 PolarHBondContact O-N 3.11Å; I569-T571 VanDerWaalsContact C-N 3.34Å; I569-T571 PolarHBondContact O-N 2.48Å; T571-A574 PolarHBondContact O-N 2.91Å; T571-L575 HydrophobicContact CG2-CD1 4.06Å; T571-L575 HydrophobicContact CG2-CG 4.48Å; T571-L575 WeakPolarHBondContact O-CB 3.49Å; T571-L575 VanDerWaalsContact O-CG 3.31Å; T571-L575 WeakPolarHBondContact O-CG 3.33Å; T571-L575 PolarHBondContact O-N 3.35Å; T571-L587 HydrophobicContact CG2-CD1 3.73Å
572A93.3Very high90Very high2 Ų236.1 Ų36.12%0.01720%0.199CC..Hα-helixtrans-63.5-43177.800000112.1H568 I569 L575 Y576 A584 L587 L588H568-A572 WeakPolarHBondContact O-CB 3.36Å; H568-A572 PolarHBondContact O-N 3.17Å; I569-A572 PolarHBondContact O-N 2.94Å; A572-L575 PolarHBondContact O-N 3.2Å; A572-Y576 WeakPolarHBondContact O-CB 3.44Å; A572-Y576 PolarHBondContact O-N 3.39Å; A572-A584 HydrophobicContact CB-CB 4.23Å; A572-L587 HydrophobicContact CB-CD2 4.21Å; A572-L588 HydrophobicContact CB-CD1 3.76Å; A572-L588 HydrophobicContact CB-CD2 3.79Å; A572-L588 HydrophobicContact CB-CG 3.65Å
573D92.9Very high90.4Very high7 Ų735.7 Ų35.74%0.03719%0.191CC..Hα-helixtrans-63.1-41.3176.8-74.2-9.9000111.3L515 I569 L570 Y576 Q577 R603 V639L515-D573 HydrophobicContact CD1-CB 3.82Å; I569-D573 WeakPolarHBondContact O-CB 3.48Å; I569-D573 VanDerWaalsContact O-CG 3.3Å; I569-D573 PolarHBondContact O-N 3.07Å; L570-D573 PolarHBondContact O-N 3.16Å; D573-Y576 PolarHBondContact O-N 3.42Å; D573-Q577 WeakPolarHBondContact O-CG 3.43Å; D573-Q577 PolarHBondContact O-N 3.31Å; D573-R603 VanDerWaalsContact CG-NE 3.3Å; D573-R603 WeakPolarHBondContact OD1-CD 3.4Å; D573-R603 IonicContact OD1-CZ 2.84Å; D573-R603 IonicContact OD1-NE 3.53Å; D573-R603 PolarHBondContact OD1-NE 3.06Å; D573-R603 IonicContact OD1-NH2 3.36Å; D573-R603 IonicContact OD2-CZ 2.95Å; D573-R603 IonicContact OD2-NE 3.41Å; D573-R603 PolarHBondContact OD2-NE 3.29Å; D573-R603 VanDerWaalsContact OD2-NE 3.12Å; D573-R603 IonicContact OD2-NH2 3.42Å; D573-R603 PolarHBondContact OD2-NH2 3.16Å; D573-V639 HydrophobicContact CB-CG1 4.15Å
574A92.1Very high90.9Very high0 Ų027.6 Ų27.60%015%0.153CC..Hα-helixtrans-66.3-43.417500000112.2L515 V550 H551 L570 T571 Q577 L578L515-A574 HydrophobicContact CD1-CB 4.2Å; L515-A574 HydrophobicContact CD2-CB 4.38Å; V550-A574 HydrophobicContact CG1-CB 4.49Å; H551-A574 HydrophobicContact CB-CB 3.89Å; L570-A574 WeakPolarHBondContact O-CB 3.3Å; L570-A574 PolarHBondContact O-N 3.44Å; T571-A574 PolarHBondContact O-N 2.91Å; A574-Q577 PolarHBondContact O-N 3.21Å; A574-L578 VanDerWaalsContact O-CG 3.25Å; A574-L578 WeakPolarHBondContact O-CG 3.32Å; A574-L578 PolarHBondContact O-N 2.96Å
575L92.7Very high91.2Very high4 Ų427.2 Ų27.22%0.02115%0.148CC..Hα-helixtrans-63-40.7176-76.1171.2000112T571 A572 L578 G579 R580 E583 A584T571-L575 HydrophobicContact CG2-CD1 4.06Å; T571-L575 HydrophobicContact CG2-CG 4.48Å; T571-L575 WeakPolarHBondContact O-CB 3.49Å; T571-L575 VanDerWaalsContact O-CG 3.31Å; T571-L575 WeakPolarHBondContact O-CG 3.33Å; T571-L575 PolarHBondContact O-N 3.35Å; A572-L575 PolarHBondContact O-N 3.2Å; L575-L578 CarbonylContact O-C 3.58Å; L575-L578 PolarHBondContact O-N 3.4Å; L575-G579 PolarHBondContact O-N 3.12Å; L575-R580 HydrophobicContact CB-CB 4.42Å; L575-R580 HydrophobicContact CD2-CB 4.04Å; L575-R580 PolarHBondContact O-N 3.03Å; L575-E583 HydrophobicContact CD1-CB 4.1Å; L575-A584 HydrophobicContact CB-CB 3.89Å
576Y92.4Very high91.5Very high9 Ų932.2 Ų32.24%0.03516%0.164CC..Hα-helixtrans-60.2-46174168.3-98.8000111.7A572 D573 L578 G579 V581 L606 L607 V639 Q641 D644A572-Y576 WeakPolarHBondContact O-CB 3.44Å; A572-Y576 PolarHBondContact O-N 3.39Å; D573-Y576 PolarHBondContact O-N 3.42Å; Y576-L578 PolarHBondContact O-N 3.46Å; Y576-G579 PolarHBondContact O-N 3.38Å; Y576-V581 HydrophobicContact CD2-CG2 4.29Å; Y576-L606 HydrophobicContact CD2-CD2 4.49Å; Y576-L606 HydrophobicContact CE2-CD2 3.84Å; Y576-L607 HydrophobicContact CD2-CD2 3.87Å; Y576-V639 HydrophobicContact CD1-CG1 4.38Å; Y576-Q641 HydrophobicContact CE1-CG 4.18Å; Y576-Q641 WeakPolarHBondContact OH-CB 3.5Å; Y576-Q641 WeakPolarHBondContact OH-CG 3.43Å; Y576-Q641 PolarHBondContact OH-N 3.24Å; Y576-D644 VanDerWaalsContact CE2-OD2 3.26Å; Y576-D644 WeakPolarHBondContact CE2-OD2 3.43Å; Y576-D644 VanDerWaalsContact CZ-OD2 3.27Å; Y576-D644 PolarHBondContact OH-OD2 3.26Å
577Q87.9Confident91.6Very high12 Ų1232.7 Ų32.76%0.05616%0.162CC..Hα-helixtrans-64.2-24.5175.5-78.1-68-16.700114.1L515 P547 D573 A574 G579 V639L515-Q577 HydrophobicContact CD2-CG 4.49Å; P547-Q577 HydrophobicContact CB-CB 3.97Å; D573-Q577 WeakPolarHBondContact O-CG 3.43Å; D573-Q577 PolarHBondContact O-N 3.31Å; A574-Q577 PolarHBondContact O-N 3.21Å; Q577-G579 VanDerWaalsContact C-N 3.32Å; Q577-V639 HydrophobicContact CG-CG1 3.83Å; Q577-V639 PolarHBondContact NE2-O 3.03Å
578L89.5Confident91.5Very high58 Ų5832.7 Ų32.730%0.30416%0.162SC..THydrogen-bonded Turntrans-84.2-3173-67.1169.4000113.4P547 T548 H551 A574 L575 Y576 R580P547-L578 HydrophobicContact CB-CD2 4.05Å; P547-L578 HydrophobicContact CB-CG 4.15Å; P547-L578 HydrophobicContact CG-CD2 3.75Å; P547-L578 HydrophobicContact CG-CG 4.34Å; T548-L578 HydrophobicContact CG2-CD1 4.34Å; T548-L578 HydrophobicContact CG2-CD2 3.5Å; T548-L578 VanDerWaalsContact CG2-CD2 3.5Å; H551-L578 HydrophobicContact CB-CD1 4.27Å; A574-L578 VanDerWaalsContact O-CG 3.25Å; A574-L578 WeakPolarHBondContact O-CG 3.32Å; A574-L578 PolarHBondContact O-N 2.96Å; L575-L578 CarbonylContact O-C 3.58Å; L575-L578 PolarHBondContact O-N 3.4Å; Y576-L578 PolarHBondContact O-N 3.46Å; L578-R580 VanDerWaalsContact C-N 3.31Å
579G87.6Confident91.3Very high56 Ų5636.3 Ų36.358%0.57718%0.181SC*.THydrogen-bonded Turntrans79.66.4-176.700000114.8L575 Y576 Q577 V581L575-G579 PolarHBondContact O-N 3.12Å; Y576-G579 PolarHBondContact O-N 3.38Å; Q577-G579 VanDerWaalsContact C-N 3.32Å; G579-V581 VanDerWaalsContact C-N 3.28Å; G579-V581 PolarHBondContact O-N 3.45Å; G579-V581 VanDerWaalsContact O-N 3.13Å
580R92.3Very high90.9Very high106 Ų10640.3 Ų40.340%0.421%0.21SC..  trans-89.557.5179.8-64.7170.972.8-172.212.1111.2L575 L578 E582 E583 A584L575-R580 HydrophobicContact CB-CB 4.42Å; L575-R580 HydrophobicContact CD2-CB 4.04Å; L575-R580 PolarHBondContact O-N 3.03Å; L578-R580 VanDerWaalsContact C-N 3.31Å; R580-E582 VanDerWaalsContact C-N 3.35Å; R580-E582 PolarHBondContact O-N 2.66Å; R580-E583 VanDerWaalsContact CZ-CD 3.45Å; R580-E583 IonicContact CZ-OE1 2.79Å; R580-E583 IonicContact CZ-OE2 3.81Å; R580-E583 VanDerWaalsContact NE-CD 3.25Å; R580-E583 IonicContact NE-OE1 2.71Å; R580-E583 PolarHBondContact NE-OE1 3.43Å; R580-E583 IonicContact NE-OE2 3.62Å; R580-E583 PolarHBondContact NE-OE2 3.27Å; R580-E583 VanDerWaalsContact NE-OE2 3.16Å; R580-E583 IonicContact NH1-OE2 2.76Å; R580-E583 IonicContact NH2-OE1 2.9Å; R580-E583 PolarHBondContact NH2-OE1 2.91Å; R580-E583 IonicContact NH2-OE2 3.48Å; R580-E583 PolarHBondContact NH2-OE2 3.12Å; R580-E583 PolarHBondContact O-N 2.96Å; R580-A584 PolarHBondContact O-N 3.29Å
581V91.4Very high90.1Very high15 Ų1541.7 Ų41.79%0.09122%0.219CC..Hα-helixtrans-61.4-38.3-171-179.40000112.8Y576 G579 E583 A584 H585 L607 R611Y576-V581 HydrophobicContact CD2-CG2 4.29Å; G579-V581 VanDerWaalsContact C-N 3.28Å; G579-V581 PolarHBondContact O-N 3.45Å; G579-V581 VanDerWaalsContact O-N 3.13Å; V581-E583 PolarHBondContact O-N 2.93Å; V581-A584 PolarHBondContact O-N 2.84Å; V581-H585 WeakPolarHBondContact O-CB 3.17Å; V581-H585 PolarHBondContact O-N 3.23Å; V581-L607 HydrophobicContact CG1-CD2 3.68Å; V581-R611 HydrophobicContact CG1-CG 4.33Å
582E91.3Very high88.5Confident125 Ų12543.5 Ų43.558%0.58424%0.239SC*.Hα-helixtrans-65.9-37.7-179.6-63.8-172.417100113.2R580 H585 R586R580-E582 VanDerWaalsContact C-N 3.35Å; R580-E582 PolarHBondContact O-N 2.66Å; E582-H585 PolarHBondContact O-N 3.34Å; E582-R586 WeakPolarHBondContact O-CB 3.48Å; E582-R586 WeakPolarHBondContact O-CG 3.05Å; E582-R586 PolarHBondContact O-N 3.31Å; E582-R586 IonicContact OE2-NH2 3.57Å
583E92.1Very high87Confident61 Ų6146.8 Ų46.829%0.28526%0.261SS..Hα-helixtrans-71.3-41.1178-65.3-177.3-148.700111.1L575 R580 V581 H585 R586 L587L575-E583 HydrophobicContact CD1-CB 4.1Å; R580-E583 VanDerWaalsContact CZ-CD 3.45Å; R580-E583 IonicContact CZ-OE1 2.79Å; R580-E583 IonicContact CZ-OE2 3.81Å; R580-E583 VanDerWaalsContact NE-CD 3.25Å; R580-E583 IonicContact NE-OE1 2.71Å; R580-E583 PolarHBondContact NE-OE1 3.43Å; R580-E583 IonicContact NE-OE2 3.62Å; R580-E583 PolarHBondContact NE-OE2 3.27Å; R580-E583 VanDerWaalsContact NE-OE2 3.16Å; R580-E583 IonicContact NH1-OE2 2.76Å; R580-E583 IonicContact NH2-OE1 2.9Å; R580-E583 PolarHBondContact NH2-OE1 2.91Å; R580-E583 IonicContact NH2-OE2 3.48Å; R580-E583 PolarHBondContact NH2-OE2 3.12Å; R580-E583 PolarHBondContact O-N 2.96Å; V581-E583 PolarHBondContact O-N 2.93Å; E583-H585 VanDerWaalsContact C-N 3.26Å; E583-H585 PolarHBondContact O-N 3.32Å; E583-R586 PolarHBondContact O-N 2.93Å; E583-L587 VanDerWaalsContact O-CB 3.27Å; E583-L587 WeakPolarHBondContact O-CB 3.22Å; E583-L587 PolarHBondContact O-N 3.43Å
584A92.8Very high85.4Confident0 Ų052.5 Ų52.50%030%0.299CS..Hα-helixtrans-57.6-43172.500000111.1A572 L575 R580 V581 L588 L607A572-A584 HydrophobicContact CB-CB 4.23Å; L575-A584 HydrophobicContact CB-CB 3.89Å; R580-A584 PolarHBondContact O-N 3.29Å; V581-A584 PolarHBondContact O-N 2.84Å; A584-L588 WeakPolarHBondContact O-CG 3.17Å; A584-L588 PolarHBondContact O-N 2.96Å; A584-L588 VanDerWaalsContact O-N 3.11Å; A584-L607 HydrophobicContact CB-CD1 4.13Å; A584-L607 HydrophobicContact CB-CD2 4.21Å
585H91.6Very high84.2Confident17 Ų1759 Ų598%0.07933%0.334CS..Hα-helixtrans-65.3-48.4177.6-179.968.5000112.4V581 E582 E583 L587 L588 L589 L607 Q608 R611V581-H585 WeakPolarHBondContact O-CB 3.17Å; V581-H585 PolarHBondContact O-N 3.23Å; E582-H585 PolarHBondContact O-N 3.34Å; E583-H585 VanDerWaalsContact C-N 3.26Å; E583-H585 PolarHBondContact O-N 3.32Å; H585-L587 VanDerWaalsContact C-N 3.32Å; H585-L587 PolarHBondContact O-N 3.15Å; H585-L588 PolarHBondContact O-N 3.39Å; H585-L589 VanDerWaalsContact NE2-CD1 3.34Å; H585-L589 WeakPolarHBondContact NE2-CD1 3.46Å; H585-L589 WeakPolarHBondContact O-CG 3.28Å; H585-L589 PolarHBondContact O-N 3.26Å; H585-L607 HydrophobicContact CB-CD1 4.28Å; H585-Q608 PolarHBondContact CE1-NE2 2.89Å; H585-R611 PolarHBondContact CD2-NH1 2.75Å; H585-R611 PolarHBondContact NE2-NH1 2.94Å
586R91.5Very high83.2Confident140 Ų14060.6 Ų60.653%0.52835%0.345SS..Hα-helixtrans-60.1-41.6177.5-78.9-176.4-96.5117.7-6.1112.1E582 E583 L589 S590E582-R586 WeakPolarHBondContact O-CB 3.48Å; E582-R586 WeakPolarHBondContact O-CG 3.05Å; E582-R586 PolarHBondContact O-N 3.31Å; E582-R586 IonicContact OE2-NH2 3.57Å; E583-R586 PolarHBondContact O-N 2.93Å; R586-L589 PolarHBondContact O-N 3.25Å; R586-S590 PolarHBondContact O-N 2.79Å; R586-S590 PolarHBondContact O-OG 3.21Å
587L91.1Very high82.8Confident30 Ų3068.2 Ų68.216%0.15737%0.373CS..Hα-helixtrans-64-43.4178.6-178.9138.3000112.3M558 H568 T571 A572 E583 H585 L589 S590 V591M558-L587 HydrophobicContact CE-CD1 4.34Å; M558-L587 HydrophobicContact SD-CD1 4.26Å; H568-L587 HydrophobicContact CB-CD2 3.99Å; H568-L587 VanDerWaalsContact O-CD2 3.25Å; H568-L587 WeakPolarHBondContact O-CD2 3.39Å; T571-L587 HydrophobicContact CG2-CD1 3.73Å; A572-L587 HydrophobicContact CB-CD2 4.21Å; E583-L587 VanDerWaalsContact O-CB 3.27Å; E583-L587 WeakPolarHBondContact O-CB 3.22Å; E583-L587 PolarHBondContact O-N 3.43Å; H585-L587 VanDerWaalsContact C-N 3.32Å; H585-L587 PolarHBondContact O-N 3.15Å; L587-L589 VanDerWaalsContact C-N 3.32Å; L587-L589 PolarHBondContact O-N 3.37Å; L587-S590 PolarHBondContact O-N 3.06Å; L587-S590 PolarHBondContact O-OG 3.49Å; L587-V591 WeakPolarHBondContact O-CG2 3.27Å; L587-V591 PolarHBondContact O-N 3.35Å
588L89.8Confident82.8Confident1 Ų167.7 Ų67.71%0.00537%0.371CS..Hα-helixtrans-71.3-27.6177.7-69.3-179.1000113A572 A584 H585 V600 R603 L604 L607A572-L588 HydrophobicContact CB-CD1 3.76Å; A572-L588 HydrophobicContact CB-CD2 3.79Å; A572-L588 HydrophobicContact CB-CG 3.65Å; A584-L588 WeakPolarHBondContact O-CG 3.17Å; A584-L588 PolarHBondContact O-N 2.96Å; A584-L588 VanDerWaalsContact O-N 3.11Å; H585-L588 PolarHBondContact O-N 3.39Å; L588-V600 HydrophobicContact CB-CG1 4.28Å; L588-V600 HydrophobicContact CD2-CG1 4.36Å; L588-R603 HydrophobicContact CD1-CB 3.5Å; L588-R603 HydrophobicContact CD1-CG 4.46Å; L588-L604 HydrophobicContact CB-CD2 3.65Å; L588-L604 HydrophobicContact CB-CG 4.06Å; L588-L604 HydrophobicContact CD1-CD2 4.42Å; L588-L604 HydrophobicContact CD1-CG 4.45Å; L588-L607 HydrophobicContact CD1-CD1 3.89Å
589L87.1Confident82.8Confident96 Ų9666.6 Ų66.650%0.50337%0.368SS..Hα-helixtrans-69.4-39.4171.5-74.3179.3000112.2H585 R586 L587 V591 G592 L604H585-L589 VanDerWaalsContact NE2-CD1 3.34Å; H585-L589 WeakPolarHBondContact NE2-CD1 3.46Å; H585-L589 WeakPolarHBondContact O-CG 3.28Å; H585-L589 PolarHBondContact O-N 3.26Å; R586-L589 PolarHBondContact O-N 3.25Å; L587-L589 VanDerWaalsContact C-N 3.32Å; L587-L589 PolarHBondContact O-N 3.37Å; L589-V591 VanDerWaalsContact C-N 3.25Å; L589-V591 PolarHBondContact O-N 3.08Å; L589-G592 PolarHBondContact O-N 3.45Å; L589-L604 HydrophobicContact CD2-CD1 4.41Å; L589-L604 HydrophobicContact CD2-CD2 4.22Å; L589-L604 HydrophobicContact CG-CD2 4.28Å
590S83.5Confident83Confident97 Ų9764.2 Ų64.268%0.67834%0.342SS*.Hα-helixtrans-68.7-23.3179.456.80000113.8R586 L587R586-S590 PolarHBondContact O-N 2.79Å; R586-S590 PolarHBondContact O-OG 3.21Å; L587-S590 PolarHBondContact O-N 3.06Å; L587-S590 PolarHBondContact O-OG 3.49Å
591V75.9Confident82.9Confident34 Ų3459.3 Ų59.321%0.20632%0.323CS..THydrogen-bonded Turntrans-76.5-14.2173.5177.20000111.7H568 L587 L589 S593H568-V591 HydrophobicContact CB-CG2 3.7Å; H568-V591 WeakPolarHBondContact CD2-CG2 3.49Å; L587-V591 WeakPolarHBondContact O-CG2 3.27Å; L587-V591 PolarHBondContact O-N 3.35Å; L589-V591 VanDerWaalsContact C-N 3.25Å; L589-V591 PolarHBondContact O-N 3.08Å; V591-S593 PolarHBondContact O-N 2.7Å
592G60.1Low82.9Confident44 Ų4458.7 Ų58.745%0.45432%0.32SS..  trans-61.794-175.500000113.3L589L589-G592 PolarHBondContact O-N 3.45Å
593S61.2Low83Confident70 Ų7053 Ų5349%0.4929%0.293SS..  trans-57.4159.9150.982.30000109.2V591 N595V591-S593 PolarHBondContact O-N 2.7Å; S593-N595 PolarHBondContact O-N 3.32Å; S593-N595 PolarHBondContact OG-O 3.39Å
594P59.7Low83Confident128 Ų12850.5 Ų50.583%0.83128%0.282SS*.SBendtrans-53.3-21.4-176.818.7-32000114.4
595N66.3Low83Confident135 Ų13550.6 Ų50.672%0.72228%0.283SS*.SBendtrans-120.792172.7-71.5-25.8000111.4S593 R597S593-N595 PolarHBondContact O-N 3.32Å; S593-N595 PolarHBondContact OG-O 3.39Å; N595-R597 PolarHBondContact O-N 3.42Å
596P72.4Confident83.1Confident39 Ų3950 Ų5025%0.25328%0.28SS..  trans-64.4134.5177.826.4-35.3000111.7L601P596-L601 HydrophobicContact CB-CD2 4.06Å; P596-L601 HydrophobicContact CB-CG 4.09Å; P596-L601 HydrophobicContact CG-CD1 4.48Å; P596-L601 HydrophobicContact CG-CD2 3.6Å; P596-L601 HydrophobicContact CG-CG 4.03Å; P596-L601 WeakPolarHBondContact O-CD1 3.38Å
597R83.9Confident83.2Confident168 Ų16843.6 Ų43.663%0.63426%0.256SS*.  trans-72157.3179.2-62.9-172.1-177.5154.65.8112.2D565 N595 V600 L601D565-R597 WeakPolarHBondContact OD2-CD 3.42Å; D565-R597 IonicContact OD2-CZ 2.62Å; D565-R597 VanDerWaalsContact OD2-CZ 3.26Å; D565-R597 IonicContact OD2-NE 2.65Å; D565-R597 IonicContact OD2-NH1 3.31Å; D565-R597 PolarHBondContact OD2-NH1 3.31Å; N595-R597 PolarHBondContact O-N 3.42Å; R597-V600 PolarHBondContact O-N 3.31Å; R597-L601 PolarHBondContact O-N 3.15Å
598A88.1Confident83.3Confident2 Ų243.2 Ų43.22%0.01725%0.254CS..Hα-helixtrans-51.4-44.2-176.800000115.1V600 L601 A602 L624 C627 E629A598-V600 VanDerWaalsContact C-N 3.28Å; A598-V600 PolarHBondContact O-N 3.41Å; A598-L601 PolarHBondContact O-N 2.95Å; A598-A602 WeakPolarHBondContact O-CB 3.28Å; A598-A602 PolarHBondContact O-N 3.4Å; A598-L624 HydrophobicContact CB-CD1 3.55Å; A598-L624 VanDerWaalsContact O-CD1 3.26Å; A598-L624 WeakPolarHBondContact O-CD1 3.29Å; A598-C627 HydrophobicContact CB-CB 4.28Å; A598-E629 HydrophobicContact CB-CB 3.74Å
599P89.5Confident83.4Confident35 Ų3543.3 Ų43.323%0.22725%0.254CS..Hα-helixtrans-64.1-29.6179-23.534.6000114.7I569 R603 C632I569-P599 HydrophobicContact CD1-CB 3.73Å; P599-R603 PolarHBondContact O-NH1 3.4Å; P599-C632 HydrophobicContact CB-CB 4.07Å; P599-C632 HydrophobicContact CG-CB 3.86Å
600V90.6Very high83.6Confident6 Ų642.6 Ų42.64%0.03625%0.248CC..Hα-helixtrans-78.7-44.6177.2177.80000109.8I569 L588 R597 A598 A602 R603 L604I569-V600 HydrophobicContact CD1-CG2 4.11Å; I569-V600 HydrophobicContact CG1-CG2 4.21Å; L588-V600 HydrophobicContact CB-CG1 4.28Å; L588-V600 HydrophobicContact CD2-CG1 4.36Å; R597-V600 PolarHBondContact O-N 3.31Å; A598-V600 VanDerWaalsContact C-N 3.28Å; A598-V600 PolarHBondContact O-N 3.41Å; V600-A602 VanDerWaalsContact C-N 3.33Å; V600-A602 PolarHBondContact O-N 2.96Å; V600-R603 PolarHBondContact O-N 2.96Å; V600-L604 HydrophobicContact CG1-CD1 3.91Å; V600-L604 HydrophobicContact CG1-CG 4.29Å; V600-L604 WeakPolarHBondContact O-CB 3.2Å; V600-L604 WeakPolarHBondContact O-CG 3.43Å; V600-L604 PolarHBondContact O-N 3.43Å
601L91.2Very high84Confident2 Ų242.5 Ų42.51%0.0123%0.233CC..Hα-helixtrans-56.4-44.8175.2-76173.9000112.4P596 R597 A598 R603 L604 A605 L620 K623 L624P596-L601 HydrophobicContact CB-CD2 4.06Å; P596-L601 HydrophobicContact CB-CG 4.09Å; P596-L601 HydrophobicContact CG-CD1 4.48Å; P596-L601 HydrophobicContact CG-CD2 3.6Å; P596-L601 HydrophobicContact CG-CG 4.03Å; P596-L601 WeakPolarHBondContact O-CD1 3.38Å; R597-L601 PolarHBondContact O-N 3.15Å; A598-L601 PolarHBondContact O-N 2.95Å; L601-R603 PolarHBondContact O-N 2.96Å; L601-L604 PolarHBondContact O-N 3.45Å; L601-A605 WeakPolarHBondContact O-CB 3.46Å; L601-A605 PolarHBondContact O-N 2.94Å; L601-L620 HydrophobicContact CD2-CD2 3.67Å; L601-K623 HydrophobicContact CD1-CB 3.96Å; L601-K623 HydrophobicContact CD2-CB 4.25Å; L601-L624 HydrophobicContact CB-CB 4.3Å; L601-L624 HydrophobicContact CB-CD1 4.2Å
602A91.4Very high84.8Confident3 Ų342.9 Ų42.93%0.02524%0.243CC..Hα-helixtrans-60.5-42.9178.500000112.5A598 V600 A605 L606 L624 L633 L636A598-A602 WeakPolarHBondContact O-CB 3.28Å; A598-A602 PolarHBondContact O-N 3.4Å; V600-A602 VanDerWaalsContact C-N 3.33Å; V600-A602 PolarHBondContact O-N 2.96Å; A602-A605 PolarHBondContact O-N 3.33Å; A602-L606 PolarHBondContact O-N 3.27Å; A602-L606 VanDerWaalsContact O-N 3.12Å; A602-L624 HydrophobicContact CB-CD1 4.37Å; A602-L624 HydrophobicContact CB-CD2 4.04Å; A602-L633 HydrophobicContact CB-CD2 3.87Å; A602-L636 HydrophobicContact CB-CD2 3.91Å; A602-L636 WeakPolarHBondContact O-CD2 3.32Å
603R92.5Very high86.3Confident5 Ų545.2 Ų45.22%0.01924%0.241CC..Hα-helixtrans-68.6-44.3176.6-78167.9177.879.51.5112.1I569 D573 L588 P599 V600 L601 A605 L606 L607 L636I569-R603 VanDerWaalsContact CG2-NE 3.3Å; D573-R603 VanDerWaalsContact CG-NE 3.3Å; D573-R603 WeakPolarHBondContact OD1-CD 3.4Å; D573-R603 IonicContact OD1-CZ 2.84Å; D573-R603 IonicContact OD1-NE 3.53Å; D573-R603 PolarHBondContact OD1-NE 3.06Å; D573-R603 IonicContact OD1-NH2 3.36Å; D573-R603 IonicContact OD2-CZ 2.95Å; D573-R603 IonicContact OD2-NE 3.41Å; D573-R603 PolarHBondContact OD2-NE 3.29Å; D573-R603 VanDerWaalsContact OD2-NE 3.12Å; D573-R603 IonicContact OD2-NH2 3.42Å; D573-R603 PolarHBondContact OD2-NH2 3.16Å; L588-R603 HydrophobicContact CD1-CB 3.5Å; L588-R603 HydrophobicContact CD1-CG 4.46Å; P599-R603 PolarHBondContact O-NH1 3.4Å; V600-R603 PolarHBondContact O-N 2.96Å; L601-R603 PolarHBondContact O-N 2.96Å; R603-A605 VanDerWaalsContact C-N 3.28Å; R603-A605 PolarHBondContact O-N 3.4Å; R603-L606 PolarHBondContact O-N 3.26Å; R603-L607 WeakPolarHBondContact O-CB 3.4Å; R603-L607 WeakPolarHBondContact O-CG 3.32Å; R603-L607 PolarHBondContact O-N 2.78Å; R603-L636 HydrophobicContact CG-CD1 3.75Å
604L92.6Very high87.7Confident9 Ų946.8 Ų46.85%0.04724%0.241CC..Hα-helixtrans-59.4-40.7175.5-74.5173.5000111.5L588 L589 V600 L601 L607 Q608 L620L588-L604 HydrophobicContact CB-CD2 3.65Å; L588-L604 HydrophobicContact CB-CG 4.06Å; L588-L604 HydrophobicContact CD1-CD2 4.42Å; L588-L604 HydrophobicContact CD1-CG 4.45Å; L589-L604 HydrophobicContact CD2-CD1 4.41Å; L589-L604 HydrophobicContact CD2-CD2 4.22Å; L589-L604 HydrophobicContact CG-CD2 4.28Å; V600-L604 HydrophobicContact CG1-CD1 3.91Å; V600-L604 HydrophobicContact CG1-CG 4.29Å; V600-L604 WeakPolarHBondContact O-CB 3.2Å; V600-L604 WeakPolarHBondContact O-CG 3.43Å; V600-L604 PolarHBondContact O-N 3.43Å; L601-L604 PolarHBondContact O-N 3.45Å; L604-L607 PolarHBondContact O-N 3.31Å; L604-Q608 WeakPolarHBondContact O-CB 3.49Å; L604-Q608 VanDerWaalsContact O-CG 3.29Å; L604-Q608 WeakPolarHBondContact O-CG 3.34Å; L604-Q608 PolarHBondContact O-N 3Å; L604-L620 HydrophobicContact CB-CD1 3.87Å; L604-L620 HydrophobicContact CB-CD2 4.45Å
605A93Very high89.2Confident2 Ų248.6 Ų48.62%0.01723%0.232CC..Hα-helixtrans-62.1-46.9176.100000111.6L601 A602 R603 Q608 L609 T617 L620 L621L601-A605 WeakPolarHBondContact O-CB 3.46Å; L601-A605 PolarHBondContact O-N 2.94Å; A602-A605 PolarHBondContact O-N 3.33Å; R603-A605 VanDerWaalsContact C-N 3.28Å; R603-A605 PolarHBondContact O-N 3.4Å; A605-Q608 PolarHBondContact O-N 3.42Å; A605-L609 WeakPolarHBondContact O-CB 3.14Å; A605-L609 PolarHBondContact O-N 3.03Å; A605-T617 HydrophobicContact CB-CG2 4.32Å; A605-L620 HydrophobicContact CB-CB 4Å; A605-L621 HydrophobicContact CB-CD2 3.96Å; A605-L621 HydrophobicContact CB-CG 4.11Å
606L93.4Very high90.4Very high4 Ų445.3 Ų45.32%0.02121%0.214CC..Hα-helixtrans-64.8-41.3177.7-172.5141.1000112.3Y576 A602 R603 L609 H610 L636 A640 D644Y576-L606 HydrophobicContact CD2-CD2 4.49Å; Y576-L606 HydrophobicContact CE2-CD2 3.84Å; A602-L606 PolarHBondContact O-N 3.27Å; A602-L606 VanDerWaalsContact O-N 3.12Å; R603-L606 PolarHBondContact O-N 3.26Å; L606-L609 WeakPolarHBondContact O-CB 3.42Å; L606-L609 PolarHBondContact O-N 3.44Å; L606-H610 PolarHBondContact O-N 3.37Å; L606-L636 HydrophobicContact CB-CD1 4.46Å; L606-L636 HydrophobicContact CB-CD2 4.19Å; L606-L636 HydrophobicContact CD1-CD1 4.11Å; L606-L636 HydrophobicContact CD1-CD2 4.1Å; L606-L636 HydrophobicContact CD1-CG 4.1Å; L606-A640 HydrophobicContact CD1-CB 3.68Å; L606-D644 HydrophobicContact CD1-CB 4.42Å; L606-D644 HydrophobicContact CD2-CB 4.24Å; L606-D644 HydrophobicContact CG-CB 4.32Å
607L93.6Very high91.4Very high6 Ų643.4 Ų43.43%0.03120%0.202CC..Hα-helixtrans-65.4-41.2177.1-67.7170000112Y576 V581 A584 H585 L588 R603 L604 L609 H610 R611Y576-L607 HydrophobicContact CD2-CD2 3.87Å; V581-L607 HydrophobicContact CG1-CD2 3.68Å; A584-L607 HydrophobicContact CB-CD1 4.13Å; A584-L607 HydrophobicContact CB-CD2 4.21Å; H585-L607 HydrophobicContact CB-CD1 4.28Å; L588-L607 HydrophobicContact CD1-CD1 3.89Å; R603-L607 WeakPolarHBondContact O-CB 3.4Å; R603-L607 WeakPolarHBondContact O-CG 3.32Å; R603-L607 PolarHBondContact O-N 2.78Å; L604-L607 PolarHBondContact O-N 3.31Å; L607-L609 VanDerWaalsContact C-N 3.3Å; L607-H610 PolarHBondContact O-N 3.06Å; L607-R611 VanDerWaalsContact O-CG 3.26Å; L607-R611 WeakPolarHBondContact O-CG 3.41Å; L607-R611 PolarHBondContact O-N 3.28Å; L607-R611 VanDerWaalsContact O-N 3.12Å
608Q93.1Very high91.8Very high21 Ų2137.3 Ų37.310%0.09818%0.182CC..Hα-helixtrans-66-35.9175.1-73.6-68.626.500111.9H585 L604 A605 R611 G612 F613 D616 T617 L620H585-Q608 PolarHBondContact CE1-NE2 2.89Å; L604-Q608 WeakPolarHBondContact O-CB 3.49Å; L604-Q608 VanDerWaalsContact O-CG 3.29Å; L604-Q608 WeakPolarHBondContact O-CG 3.34Å; L604-Q608 PolarHBondContact O-N 3Å; A605-Q608 PolarHBondContact O-N 3.42Å; Q608-R611 CarbonylContact O-C 3.6Å; Q608-R611 PolarHBondContact O-N 3.03Å; Q608-G612 PolarHBondContact O-N 3.39Å; Q608-G612 VanDerWaalsContact O-N 3.12Å; Q608-F613 HydrophobicContact CB-CB 4.4Å; Q608-F613 PolarHBondContact O-N 2.92Å; Q608-F613 VanDerWaalsContact OE1-CD2 3.24Å; Q608-D616 HydrophobicContact CG-CB 4.47Å; Q608-T617 WeakPolarHBondContact CB-OG1 3.39Å; Q608-L620 HydrophobicContact CG-CD1 3.97Å
609L92.9Very high92Very high4 Ų440.6 Ų40.62%0.02120%0.197CC..Hα-helixtrans-67.1-43.8176.3-171.261.2000112A605 L606 L607 R611 G612 H614 T617 L647 L648 H651A605-L609 WeakPolarHBondContact O-CB 3.14Å; A605-L609 PolarHBondContact O-N 3.03Å; L606-L609 WeakPolarHBondContact O-CB 3.42Å; L606-L609 PolarHBondContact O-N 3.44Å; L607-L609 VanDerWaalsContact C-N 3.3Å; L609-R611 PolarHBondContact O-N 3.39Å; L609-G612 PolarHBondContact O-N 3.2Å; L609-H614 WeakPolarHBondContact CD1-ND1 3.25Å; L609-T617 HydrophobicContact CB-CG2 4.02Å; L609-T617 HydrophobicContact CD1-CG2 4.29Å; L609-T617 PolarHBondContact N-OG1 3.44Å; L609-L647 HydrophobicContact CD2-CB 3.85Å; L609-L647 HydrophobicContact CG-CB 4.01Å; L609-L648 HydrophobicContact CD2-CB 3.89Å; L609-L648 HydrophobicContact CD2-CD1 4.1Å; L609-L648 VanDerWaalsContact CD2-N 3.33Å; L609-H651 HydrophobicContact CD1-CB 4.14Å; L609-H651 HydrophobicContact CD2-CB 4.34Å
610H91.1Very high92.1Very high80 Ų8040.2 Ų40.237%0.3719%0.193SC..Hα-helixtrans-58-32.8172.5177.5-72.6000111.6L606 L607 G612 D644L606-H610 PolarHBondContact O-N 3.37Å; L607-H610 PolarHBondContact O-N 3.06Å; H610-G612 VanDerWaalsContact C-N 3.33Å; H610-D644 IonicContact CD2-OD1 3.52Å; H610-D644 PolarHBondContact CD2-OD1 3.15Å; H610-D644 VanDerWaalsContact CD2-OD1 3.26Å; H610-D644 IonicContact CD2-OD2 2.68Å; H610-D644 PolarHBondContact CD2-OD2 3.48Å; H610-D644 VanDerWaalsContact CD2-OD2 3.24Å; H610-D644 IonicContact CG-OD1 3.59Å; H610-D644 IonicContact CG-OD2 3.63Å
611R92.1Very high92.1Very high96 Ų9640 Ų4036%0.36219%0.192SC..THydrogen-bonded Turntrans-80.6-7.9176.2-68170.770.5-1608.1114.3V581 H585 L607 Q608 L609 F613V581-R611 HydrophobicContact CG1-CG 4.33Å; H585-R611 PolarHBondContact CD2-NH1 2.75Å; H585-R611 PolarHBondContact NE2-NH1 2.94Å; L607-R611 VanDerWaalsContact O-CG 3.26Å; L607-R611 WeakPolarHBondContact O-CG 3.41Å; L607-R611 PolarHBondContact O-N 3.28Å; L607-R611 VanDerWaalsContact O-N 3.12Å; Q608-R611 CarbonylContact O-C 3.6Å; Q608-R611 PolarHBondContact O-N 3.03Å; L609-R611 PolarHBondContact O-N 3.39Å; R611-F613 HydrophobicContact CB-CD2 3.58Å; R611-F613 HydrophobicContact CB-CE2 3.82Å
612G91.3Very high92.1Very high41 Ų4144.1 Ų44.142%0.42321%0.209SC..THydrogen-bonded Turntrans87.57.2-179.300000115.8Q608 L609 H610 H614Q608-G612 PolarHBondContact O-N 3.39Å; Q608-G612 VanDerWaalsContact O-N 3.12Å; L609-G612 PolarHBondContact O-N 3.2Å; H610-G612 VanDerWaalsContact C-N 3.33Å; G612-H614 PolarHBondContact O-N 2.97Å; G612-H614 VanDerWaalsContact O-N 3.11Å
613F92.6Very high92.1Very high94 Ų9449.6 Ų49.641%0.41223%0.233SC..  trans-86.578-179.9-64.1-75.5000111.6Q608 R611 Y615 D616 T617Q608-F613 HydrophobicContact CB-CB 4.4Å; Q608-F613 PolarHBondContact O-N 2.92Å; Q608-F613 VanDerWaalsContact OE1-CD2 3.24Å; R611-F613 HydrophobicContact CB-CD2 3.58Å; R611-F613 HydrophobicContact CB-CE2 3.82Å; F613-Y615 PolarHBondContact O-N 2.85Å; F613-D616 HydrophobicContact CB-CB 4.28Å; F613-T617 WeakPolarHBondContact O-CB 3.25Å; F613-T617 PolarHBondContact O-N 3.36Å; F613-T617 PolarHBondContact O-OG1 2.74Å
614H90.9Very high92Very high103 Ų10349.4 Ų49.448%0.47723%0.232SC..Hα-helixtrans-64.8-35.5-175.6-62.2-60.1000114.4L609 G612 N618 H651L609-H614 WeakPolarHBondContact CD1-ND1 3.25Å; G612-H614 PolarHBondContact O-N 2.97Å; G612-H614 VanDerWaalsContact O-N 3.11Å; H614-N618 WeakPolarHBondContact O-CB 3.42Å; H614-N618 PolarHBondContact O-N 3.25Å; H614-H651 AromaticContact ND1-ND1 3.78Å; H614-H651 PolarHBondContact O-CE1 3.02Å
615Y91.6Very high91.8Very high165 Ų16550.7 Ų50.765%0.64724%0.239SC*.Hα-helixtrans-66.2-50.4179.2177.4-96.8000111.4F613 T617 N618 Q619F613-Y615 PolarHBondContact O-N 2.85Å; Y615-T617 VanDerWaalsContact C-N 3.31Å; Y615-T617 PolarHBondContact O-N 2.96Å; Y615-N618 WeakPolarHBondContact O-CB 3.28Å; Y615-N618 PolarHBondContact O-N 3.36Å; Y615-N618 VanDerWaalsContact O-N 3.1Å; Y615-Q619 HydrophobicContact CD1-CG 4.32Å; Y615-Q619 HydrophobicContact CE1-CG 3.91Å; Y615-Q619 WeakPolarHBondContact O-CG 3.4Å; Y615-Q619 PolarHBondContact O-N 2.78Å; Y615-Q619 PolarHBondContact OH-NE2 3.37Å
616D91.1Very high91.5Very high66 Ų6654.9 Ų54.935%0.35327%0.274SS..Hα-helixtrans-63.5-40179.1-62.9-30.1000111.5Q608 F613 N618 Q619 L620Q608-D616 HydrophobicContact CG-CB 4.47Å; F613-D616 HydrophobicContact CB-CB 4.28Å; D616-N618 VanDerWaalsContact C-N 3.29Å; D616-N618 PolarHBondContact O-N 3.23Å; D616-Q619 PolarHBondContact O-N 3.32Å; D616-L620 WeakPolarHBondContact O-CG 3.43Å; D616-L620 PolarHBondContact O-N 3.05Å
617T92.6Very high91Very high0 Ų057.9 Ų57.90%029%0.294CS..Hα-helixtrans-54.4-48.9172.3-590000110.5A605 Q608 L609 F613 Y615 Q619 L620 L621A605-T617 HydrophobicContact CB-CG2 4.32Å; Q608-T617 WeakPolarHBondContact CB-OG1 3.39Å; L609-T617 HydrophobicContact CB-CG2 4.02Å; L609-T617 HydrophobicContact CD1-CG2 4.29Å; L609-T617 PolarHBondContact N-OG1 3.44Å; F613-T617 WeakPolarHBondContact O-CB 3.25Å; F613-T617 PolarHBondContact O-N 3.36Å; F613-T617 PolarHBondContact O-OG1 2.74Å; Y615-T617 VanDerWaalsContact C-N 3.31Å; Y615-T617 PolarHBondContact O-N 2.96Å; T617-Q619 VanDerWaalsContact C-N 3.34Å; T617-Q619 PolarHBondContact O-N 2.89Å; T617-L620 PolarHBondContact O-N 3.3Å; T617-L621 HydrophobicContact CG2-CD1 4.03Å; T617-L621 HydrophobicContact CG2-CG 4.41Å; T617-L621 WeakPolarHBondContact O-CG 3.33Å; T617-L621 PolarHBondContact O-N 3.5Å
618N92.6Very high90.3Very high40 Ų4060.3 Ų60.321%0.21432%0.32CS..Hα-helixtrans-64.2-39.6-178.9-162.124000112H614 Y615 D616 L620 L621 K622 Y675H614-N618 WeakPolarHBondContact O-CB 3.42Å; H614-N618 PolarHBondContact O-N 3.25Å; Y615-N618 WeakPolarHBondContact O-CB 3.28Å; Y615-N618 PolarHBondContact O-N 3.36Å; Y615-N618 VanDerWaalsContact O-N 3.1Å; D616-N618 VanDerWaalsContact C-N 3.29Å; D616-N618 PolarHBondContact O-N 3.23Å; N618-L620 PolarHBondContact O-N 3.33Å; N618-L621 PolarHBondContact O-N 2.87Å; N618-K622 WeakPolarHBondContact O-CG 3.16Å; N618-K622 PolarHBondContact O-N 2.65Å; N618-Y675 WeakPolarHBondContact OD1-CE1 3.46Å; N618-Y675 PolarHBondContact OD1-OH 3.33Å
619Q91.8Very high89.6Confident71 Ų7164.5 Ų64.533%0.33234%0.34SS..Hα-helixtrans-63.4-40.4175.4-66.9-63.4-15.800112.3Y615 D616 T617 K622 K623Y615-Q619 HydrophobicContact CD1-CG 4.32Å; Y615-Q619 HydrophobicContact CE1-CG 3.91Å; Y615-Q619 WeakPolarHBondContact O-CG 3.4Å; Y615-Q619 PolarHBondContact O-N 2.78Å; Y615-Q619 PolarHBondContact OH-NE2 3.37Å; D616-Q619 PolarHBondContact O-N 3.32Å; T617-Q619 VanDerWaalsContact C-N 3.34Å; T617-Q619 PolarHBondContact O-N 2.89Å; Q619-K622 PolarHBondContact O-N 2.66Å; Q619-K623 WeakPolarHBondContact O-CG 3.42Å; Q619-K623 PolarHBondContact O-N 3.16Å; Q619-K623 VanDerWaalsContact O-N 3.12Å
620L91.7Very high88.9Confident26 Ų2667 Ų6714%0.13636%0.355CS..Hα-helixtrans-67.4-39.6176.1-69.6167.3000111.9L601 L604 A605 Q608 D616 T617 N618 K623 L624L601-L620 HydrophobicContact CD2-CD2 3.67Å; L604-L620 HydrophobicContact CB-CD1 3.87Å; L604-L620 HydrophobicContact CB-CD2 4.45Å; A605-L620 HydrophobicContact CB-CB 4Å; Q608-L620 HydrophobicContact CG-CD1 3.97Å; D616-L620 WeakPolarHBondContact O-CG 3.43Å; D616-L620 PolarHBondContact O-N 3.05Å; T617-L620 PolarHBondContact O-N 3.3Å; N618-L620 PolarHBondContact O-N 3.33Å; L620-K623 PolarHBondContact O-N 3.35Å; L620-L624 WeakPolarHBondContact O-CB 3.43Å; L620-L624 PolarHBondContact O-N 3.23Å
621L91.9Very high88.5Confident2 Ų267.6 Ų67.61%0.0137%0.369CS..Hα-helixtrans-64.3-41.6174.5-70.8174.8000111.6A605 T617 N618 K623 L624 L625 L648 Y675 I678A605-L621 HydrophobicContact CB-CD2 3.96Å; A605-L621 HydrophobicContact CB-CG 4.11Å; T617-L621 HydrophobicContact CG2-CD1 4.03Å; T617-L621 HydrophobicContact CG2-CG 4.41Å; T617-L621 WeakPolarHBondContact O-CG 3.33Å; T617-L621 PolarHBondContact O-N 3.5Å; N618-L621 PolarHBondContact O-N 2.87Å; L621-K623 VanDerWaalsContact C-N 3.32Å; L621-K623 PolarHBondContact O-N 3.29Å; L621-L624 HydrophobicContact CD2-CD2 4.27Å; L621-L624 WeakPolarHBondContact O-CB 3.38Å; L621-L624 PolarHBondContact O-N 2.96Å; L621-L624 VanDerWaalsContact O-N 3.15Å; L621-L625 VanDerWaalsContact O-CG 3.3Å; L621-L625 WeakPolarHBondContact O-CG 3.24Å; L621-L625 PolarHBondContact O-N 3.19Å; L621-L648 HydrophobicContact CD1-CD1 4.43Å; L621-Y675 HydrophobicContact CB-CE1 4.14Å; L621-Y675 HydrophobicContact CD1-CE1 4.12Å; L621-I678 HydrophobicContact CD2-CD1 4.15Å
622K91.2Very high88.1Confident88 Ų8863.6 Ų63.638%0.38336%0.355SS..Hα-helixtrans-58.6-43.7173.6-73.8-170.6174.7-157.90112.3N618 Q619 L625 A626 E671 Y675N618-K622 WeakPolarHBondContact O-CG 3.16Å; N618-K622 PolarHBondContact O-N 2.65Å; Q619-K622 PolarHBondContact O-N 2.66Å; K622-L625 PolarHBondContact O-N 3.27Å; K622-A626 PolarHBondContact O-N 2.78Å; K622-E671 WeakPolarHBondContact CE-OE1 3.13Å; K622-E671 IonicContact NZ-OE1 3.33Å; K622-Y675 WeakPolarHBondContact CG-OH 3.34Å
623K90.5Very high88Confident119 Ų11961.8 Ų61.852%0.51734%0.336SS..Hα-helixtrans-62.3-43.2174.5-70179.1-178-1750111.7L601 Q619 L620 L621 L625 A626 C627L601-K623 HydrophobicContact CD1-CB 3.96Å; L601-K623 HydrophobicContact CD2-CB 4.25Å; Q619-K623 WeakPolarHBondContact O-CG 3.42Å; Q619-K623 PolarHBondContact O-N 3.16Å; Q619-K623 VanDerWaalsContact O-N 3.12Å; L620-K623 PolarHBondContact O-N 3.35Å; L621-K623 VanDerWaalsContact C-N 3.32Å; L621-K623 PolarHBondContact O-N 3.29Å; K623-L625 VanDerWaalsContact C-N 3.34Å; K623-L625 PolarHBondContact O-N 2.91Å; K623-A626 WeakPolarHBondContact O-CB 3.48Å; K623-A626 PolarHBondContact O-N 2.88Å; K623-C627 PolarHBondContact O-N 3.13Å; K623-C627 PolarHBondContact O-SG 3.13Å
624L90.1Very high87.7Confident1 Ų167.3 Ų67.31%0.00535%0.354CS..Hα-helixtrans-60.1-44.4176.8179.367.9000111.6A598 L601 A602 L620 L621 A626 C627 G628 L633A598-L624 HydrophobicContact CB-CD1 3.55Å; A598-L624 VanDerWaalsContact O-CD1 3.26Å; A598-L624 WeakPolarHBondContact O-CD1 3.29Å; L601-L624 HydrophobicContact CB-CB 4.3Å; L601-L624 HydrophobicContact CB-CD1 4.2Å; A602-L624 HydrophobicContact CB-CD1 4.37Å; A602-L624 HydrophobicContact CB-CD2 4.04Å; L620-L624 WeakPolarHBondContact O-CB 3.43Å; L620-L624 PolarHBondContact O-N 3.23Å; L621-L624 HydrophobicContact CD2-CD2 4.27Å; L621-L624 WeakPolarHBondContact O-CB 3.38Å; L621-L624 PolarHBondContact O-N 2.96Å; L621-L624 VanDerWaalsContact O-N 3.15Å; L624-A626 VanDerWaalsContact C-N 3.34Å; L624-C627 WeakPolarHBondContact O-CB 3.37Å; L624-C627 PolarHBondContact O-N 2.91Å; L624-C627 VanDerWaalsContact O-N 3.15Å; L624-G628 PolarHBondContact O-N 3.09Å; L624-L633 HydrophobicContact CD2-CD2 4.19Å
625L88.6Confident87.4Confident35 Ų3563.5 Ų63.518%0.18334%0.339CS..Hα-helixtrans-66.2-36.7178.5-68.8179.1000112.1L621 K622 K623 C627 G628 T630 A674 Y675 I678L621-L625 VanDerWaalsContact O-CG 3.3Å; L621-L625 WeakPolarHBondContact O-CG 3.24Å; L621-L625 PolarHBondContact O-N 3.19Å; K622-L625 PolarHBondContact O-N 3.27Å; K623-L625 VanDerWaalsContact C-N 3.34Å; K623-L625 PolarHBondContact O-N 2.91Å; L625-C627 PolarHBondContact O-N 3.43Å; L625-G628 PolarHBondContact O-N 2.88Å; L625-G628 VanDerWaalsContact O-N 3.1Å; L625-T630 HydrophobicContact CD2-CG2 4.49Å; L625-A674 HydrophobicContact CD1-CB 3.82Å; L625-A674 HydrophobicContact CD2-CB 3.61Å; L625-A674 HydrophobicContact CG-CB 4.26Å; L625-Y675 HydrophobicContact CD1-CD2 3.87Å; L625-Y675 HydrophobicContact CD1-CE2 3.65Å; L625-Y675 HydrophobicContact CD1-CG 4.45Å; L625-I678 HydrophobicContact CD2-CD1 3.89Å; L625-I678 HydrophobicContact CG-CD1 4.45Å
626A87.3Confident87.3Confident91 Ų9156 Ų5675%0.75231%0.31SS*.Hα-helixtrans-63-27.6173.100000112.9K622 K623 L624K622-A626 PolarHBondContact O-N 2.78Å; K623-A626 WeakPolarHBondContact O-CB 3.48Å; K623-A626 PolarHBondContact O-N 2.88Å; L624-A626 VanDerWaalsContact C-N 3.34Å
627C83.6Confident87.2Confident66 Ų6653.5 Ų53.545%0.44630%0.297SS..Hα-helixtrans-75.2-20.2174-61.20000113.7A598 K623 L624 L625 E629A598-C627 HydrophobicContact CB-CB 4.28Å; K623-C627 PolarHBondContact O-N 3.13Å; K623-C627 PolarHBondContact O-SG 3.13Å; L624-C627 WeakPolarHBondContact O-CB 3.37Å; L624-C627 PolarHBondContact O-N 2.91Å; L624-C627 VanDerWaalsContact O-N 3.15Å; L625-C627 PolarHBondContact O-N 3.43Å; C627-E629 PolarHBondContact O-N 3.37Å; C627-E629 VanDerWaalsContact O-N 3.1Å
628G77.4Confident86.9Confident57 Ų5754.9 Ų54.959%0.58831%0.308SS*.  trans73.4-10.8179.500000116.5L624 L625 T630L624-G628 PolarHBondContact O-N 3.09Å; L625-G628 PolarHBondContact O-N 2.88Å; L625-G628 VanDerWaalsContact O-N 3.1Å; G628-T630 PolarHBondContact O-N 3.11Å
629E77.9Confident86.6Confident109 Ų10953.1 Ų53.151%0.50930%0.299SS..  trans-8889.3-179.4-68.8-176.2176.800112.4A598 C627 C632A598-E629 HydrophobicContact CB-CB 3.74Å; C627-E629 PolarHBondContact O-N 3.37Å; C627-E629 VanDerWaalsContact O-N 3.1Å; E629-C632 PolarHBondContact O-SG 2.86Å; E629-C632 VanDerWaalsContact O-SG 3.42Å
630T78.8Confident86.5Confident56 Ų5649.9 Ų49.934%0.34428%0.284SS..  trans-90.4-9.4175.954.50000113.9L625 G628 C632 L633L625-T630 HydrophobicContact CD2-CG2 4.49Å; G628-T630 PolarHBondContact O-N 3.11Å; T630-C632 PolarHBondContact O-N 3.34Å; T630-L633 VanDerWaalsContact O-CB 3.3Å; T630-L633 WeakPolarHBondContact O-CB 3.44Å; T630-L633 PolarHBondContact O-N 2.8Å; T630-L633 VanDerWaalsContact O-N 3.1Å
631S83.3Confident86.3Confident94 Ų9452 Ų5266%0.65729%0.294SS*.THydrogen-bonded Turntrans-60.5-29.9-179.859.70000113L633 R634S631-L633 PolarHBondContact O-N 2.91Å; S631-R634 PolarHBondContact O-N 3.2Å
632C84.1Confident86Confident11 Ų1157.9 Ų57.97%0.07432%0.321CS..Hα-helixtrans-63.5-24.5178.666.40000113P599 E629 T630 R634 S635 L636P599-C632 HydrophobicContact CB-CB 4.07Å; P599-C632 HydrophobicContact CG-CB 3.86Å; E629-C632 PolarHBondContact O-SG 2.86Å; E629-C632 VanDerWaalsContact O-SG 3.42Å; T630-C632 PolarHBondContact O-N 3.34Å; C632-R634 VanDerWaalsContact C-N 3.26Å; C632-R634 PolarHBondContact O-N 3.31Å; C632-S635 PolarHBondContact O-N 2.89Å; C632-S635 PolarHBondContact O-OG 3.27Å; C632-L636 PolarHBondContact O-N 3.38Å
633L87.7Confident85.9Confident3 Ų361.7 Ų61.72%0.01634%0.338CS..Hα-helixtrans-63.1-31.8178.1-68.5168.7000111.9A602 L624 T630 S631 S635 L636 L637 I678 M681A602-L633 HydrophobicContact CB-CD2 3.87Å; L624-L633 HydrophobicContact CD2-CD2 4.19Å; T630-L633 VanDerWaalsContact O-CB 3.3Å; T630-L633 WeakPolarHBondContact O-CB 3.44Å; T630-L633 PolarHBondContact O-N 2.8Å; T630-L633 VanDerWaalsContact O-N 3.1Å; S631-L633 PolarHBondContact O-N 2.91Å; L633-S635 VanDerWaalsContact C-N 3.31Å; L633-S635 PolarHBondContact O-N 2.89Å; L633-L636 HydrophobicContact CD2-CD2 4.12Å; L633-L636 PolarHBondContact O-N 3.49Å; L633-L637 HydrophobicContact CB-CD1 4.42Å; L633-L637 VanDerWaalsContact O-CB 3.27Å; L633-L637 WeakPolarHBondContact O-CB 3.44Å; L633-L637 WeakPolarHBondContact O-CG 3.29Å; L633-L637 PolarHBondContact O-N 3.14Å; L633-I678 HydrophobicContact CD1-CB 4.44Å; L633-I678 HydrophobicContact CD1-CD1 4.19Å; L633-I678 HydrophobicContact CD1-CG1 3.74Å; L633-I678 HydrophobicContact CD1-CG2 4.22Å; L633-M681 HydrophobicContact CD1-CE 3.58Å
634R87.3Confident86Confident210 Ų21056.3 Ų56.379%0.79231%0.314SS*.Hα-helixtrans-58.9-44.9177.7-173.6175.9-179.2158.51.1111.8S631 C632 A638S631-R634 PolarHBondContact O-N 3.2Å; C632-R634 VanDerWaalsContact C-N 3.26Å; C632-R634 PolarHBondContact O-N 3.31Å; R634-A638 PolarHBondContact O-N 3.46Å; R634-A638 VanDerWaalsContact O-N 3.09Å
635S84.8Confident86.1Confident23 Ų2359 Ų5916%0.16133%0.325CS..Hα-helixtrans-68.5-39.1178.172.90000112.6R512 C632 L633R512-S635 VanDerWaalsContact NH1-CB 3.31Å; R512-S635 PolarHBondContact NH1-OG 2.95Å; C632-S635 PolarHBondContact O-N 2.89Å; C632-S635 PolarHBondContact O-OG 3.27Å; L633-S635 VanDerWaalsContact C-N 3.31Å; L633-S635 PolarHBondContact O-N 2.89Å
636L89.1Confident86.2Confident7 Ų759.8 Ų59.84%0.03734%0.336CS..Hα-helixtrans-62.6-49.4175.1170.763.4000110.6A602 R603 L606 C632 L633 A638 V639 A640A602-L636 HydrophobicContact CB-CD2 3.91Å; A602-L636 WeakPolarHBondContact O-CD2 3.32Å; R603-L636 HydrophobicContact CG-CD1 3.75Å; L606-L636 HydrophobicContact CB-CD1 4.46Å; L606-L636 HydrophobicContact CB-CD2 4.19Å; L606-L636 HydrophobicContact CD1-CD1 4.11Å; L606-L636 HydrophobicContact CD1-CD2 4.1Å; L606-L636 HydrophobicContact CD1-CG 4.1Å; C632-L636 PolarHBondContact O-N 3.38Å; L633-L636 HydrophobicContact CD2-CD2 4.12Å; L633-L636 PolarHBondContact O-N 3.49Å; L636-A638 VanDerWaalsContact C-N 3.29Å; L636-A638 PolarHBondContact O-N 3.49Å; L636-V639 CarbonylContact O-C 3.49Å; L636-V639 PolarHBondContact O-N 2.73Å; L636-A640 PolarHBondContact O-N 3.2Å
637L89.2Confident86.5Confident15 Ų1559.3 Ų59.38%0.07932%0.32CS..Hα-helixtrans-63.5-38.6-175.8-70.8171.2000110.4L633 V639 A640 R645 L648 M681 A682L633-L637 HydrophobicContact CB-CD1 4.42Å; L633-L637 VanDerWaalsContact O-CB 3.27Å; L633-L637 WeakPolarHBondContact O-CB 3.44Å; L633-L637 WeakPolarHBondContact O-CG 3.29Å; L633-L637 PolarHBondContact O-N 3.14Å; L637-V639 PolarHBondContact O-N 2.86Å; L637-A640 PolarHBondContact O-N 3.38Å; L637-A640 VanDerWaalsContact O-N 3.13Å; L637-R645 HydrophobicContact CD2-CG 4.08Å; L637-R645 PolarHBondContact O-NE 2.93Å; L637-R645 PolarHBondContact O-NH2 2.81Å; L637-L648 HydrophobicContact CD2-CD2 4.2Å; L637-M681 VanDerWaalsContact CD1-C 3.45Å; L637-M681 HydrophobicContact CD1-CB 3.73Å; L637-M681 WeakPolarHBondContact CD1-O 3.49Å; L637-A682 HydrophobicContact CD2-CB 4.01Å
638A86.4Confident87Confident29 Ų2956.3 Ų56.324%0.2430%0.3CS..Hα-helixtrans-55.4-33.2174.700000113.4E516 R634 L636 R645E516-A638 HydrophobicContact CB-CB 4.22Å; E516-A638 HydrophobicContact CG-CB 3.68Å; R634-A638 PolarHBondContact O-N 3.46Å; R634-A638 VanDerWaalsContact O-N 3.09Å; L636-A638 VanDerWaalsContact C-N 3.29Å; L636-A638 PolarHBondContact O-N 3.49Å; A638-R645 PolarHBondContact O-NH2 3.48Å
639V86.4Confident87.8Confident3 Ų356.5 Ų56.52%0.01829%0.285CS..Hα-helixtrans-90.9-27.8177-176.80000112.5L515 E516 D573 Y576 Q577 L636 L637L515-V639 HydrophobicContact CB-CG2 4.26Å; E516-V639 HydrophobicContact CG-CG2 4.11Å; D573-V639 HydrophobicContact CB-CG1 4.15Å; Y576-V639 HydrophobicContact CD1-CG1 4.38Å; Q577-V639 HydrophobicContact CG-CG1 3.83Å; Q577-V639 PolarHBondContact NE2-O 3.03Å; L636-V639 CarbonylContact O-C 3.49Å; L636-V639 PolarHBondContact O-N 2.73Å; L637-V639 PolarHBondContact O-N 2.86Å
640A88.4Confident88.5Confident3 Ų353 Ų533%0.02528%0.278CS..SBendtrans-61.1138.9-176.100000113L606 L636 L637 R645L606-A640 HydrophobicContact CD1-CB 3.68Å; L636-A640 PolarHBondContact O-N 3.2Å; L637-A640 PolarHBondContact O-N 3.38Å; L637-A640 VanDerWaalsContact O-N 3.13Å; A640-R645 HydrophobicContact CB-CG 3.76Å; A640-R645 VanDerWaalsContact O-CZ 3.3Å; A640-R645 PolarHBondContact O-NE 3.33Å; A640-R645 VanDerWaalsContact O-NE 3.17Å; A640-R645 PolarHBondContact O-NH2 2.86Å
641Q87.5Confident89.3Confident71 Ų7151.2 Ų51.233%0.33227%0.266SS..  trans-66.8150172.3-64.4-176.914.700110.7Y576 K643 D644 R645Y576-Q641 HydrophobicContact CE1-CG 4.18Å; Y576-Q641 WeakPolarHBondContact OH-CB 3.5Å; Y576-Q641 WeakPolarHBondContact OH-CG 3.43Å; Y576-Q641 PolarHBondContact OH-N 3.24Å; Q641-K643 PolarHBondContact O-N 2.9Å; Q641-K643 VanDerWaalsContact O-N 3.16Å; Q641-D644 PolarHBondContact O-N 2.87Å; Q641-D644 VanDerWaalsContact O-N 3.07Å; Q641-R645 WeakPolarHBondContact O-CG 3.33Å; Q641-R645 PolarHBondContact O-N 3.31Å
642Q87.4Confident89.8Confident125 Ų12546.8 Ų46.858%0.58424%0.235SC*.Hα-helixtrans-58.4-33-178.5-164.964.98.100112.9A646Q642-A646 WeakPolarHBondContact O-CB 3.4Å; Q642-A646 PolarHBondContact O-N 3.37Å
643K89.1Confident90.3Very high168 Ų16847.3 Ų47.373%0.7324%0.236SC*.Hα-helixtrans-61.1-49.2174.8-67.4-177.1178.6-179.80111.9Q641 A646 L647Q641-K643 PolarHBondContact O-N 2.9Å; Q641-K643 VanDerWaalsContact O-N 3.16Å; K643-A646 PolarHBondContact O-N 3.12Å; K643-L647 WeakPolarHBondContact O-CG 3.45Å; K643-L647 PolarHBondContact O-N 2.82Å
644D91Very high90.7Very high6 Ų649.9 Ų49.93%0.03225%0.252CS..Hα-helixtrans-72.9-31.3-179.1-65.9-28000112.6Y576 L606 H610 Q641 A646 L647 L648Y576-D644 VanDerWaalsContact CE2-OD2 3.26Å; Y576-D644 WeakPolarHBondContact CE2-OD2 3.43Å; Y576-D644 VanDerWaalsContact CZ-OD2 3.27Å; Y576-D644 PolarHBondContact OH-OD2 3.26Å; L606-D644 HydrophobicContact CD1-CB 4.42Å; L606-D644 HydrophobicContact CD2-CB 4.24Å; L606-D644 HydrophobicContact CG-CB 4.32Å; H610-D644 IonicContact CD2-OD1 3.52Å; H610-D644 PolarHBondContact CD2-OD1 3.15Å; H610-D644 VanDerWaalsContact CD2-OD1 3.26Å; H610-D644 IonicContact CD2-OD2 2.68Å; H610-D644 PolarHBondContact CD2-OD2 3.48Å; H610-D644 VanDerWaalsContact CD2-OD2 3.24Å; H610-D644 IonicContact CG-OD1 3.59Å; H610-D644 IonicContact CG-OD2 3.63Å; Q641-D644 PolarHBondContact O-N 2.87Å; Q641-D644 VanDerWaalsContact O-N 3.07Å; D644-A646 VanDerWaalsContact C-N 3.34Å; D644-L647 PolarHBondContact O-N 3.1Å; D644-L648 WeakPolarHBondContact O-CB 3.44Å; D644-L648 PolarHBondContact O-N 3.17Å
645R92.4Very high91Very high58 Ų5840.1 Ų40.122%0.21922%0.217CC..Hα-helixtrans-59.6-46169.3-70.8-174.2-172.3150.8-1.5111.2L637 A638 A640 Q641 L648 Q649L637-R645 HydrophobicContact CD2-CG 4.08Å; L637-R645 PolarHBondContact O-NE 2.93Å; L637-R645 PolarHBondContact O-NH2 2.81Å; A638-R645 PolarHBondContact O-NH2 3.48Å; A640-R645 HydrophobicContact CB-CG 3.76Å; A640-R645 VanDerWaalsContact O-CZ 3.3Å; A640-R645 PolarHBondContact O-NE 3.33Å; A640-R645 VanDerWaalsContact O-NE 3.17Å; A640-R645 PolarHBondContact O-NH2 2.86Å; Q641-R645 WeakPolarHBondContact O-CG 3.33Å; Q641-R645 PolarHBondContact O-N 3.31Å; R645-L648 PolarHBondContact O-N 3.01Å; R645-Q649 WeakPolarHBondContact O-CB 3.32Å; R645-Q649 PolarHBondContact O-N 2.94Å
646A91.3Very high91.4Very high50 Ų5039 Ų3941%0.41321%0.209SC..Hα-helixtrans-64.8-40176.400000112.1Q642 K643 D644 Q649 G650Q642-A646 WeakPolarHBondContact O-CB 3.4Å; Q642-A646 PolarHBondContact O-N 3.37Å; K643-A646 PolarHBondContact O-N 3.12Å; D644-A646 VanDerWaalsContact C-N 3.34Å; A646-Q649 PolarHBondContact O-N 3.46Å; A646-G650 PolarHBondContact O-N 3.14Å
647L93.2Very high91.7Very high81 Ų8142.2 Ų42.242%0.42422%0.223SC..Hα-helixtrans-60.9-45.2172.9-70.7176.2000111.4L609 K643 D644 G650 H651L609-L647 HydrophobicContact CD2-CB 3.85Å; L609-L647 HydrophobicContact CG-CB 4.01Å; K643-L647 WeakPolarHBondContact O-CG 3.45Å; K643-L647 PolarHBondContact O-N 2.82Å; D644-L647 PolarHBondContact O-N 3.1Å; L647-G650 PolarHBondContact O-N 2.78Å; L647-H651 VanDerWaalsContact O-CB 3.27Å; L647-H651 WeakPolarHBondContact O-CB 3.32Å; L647-H651 PolarHBondContact O-N 2.93Å
648L93.8Very high91.9Very high4 Ų449.5 Ų49.52%0.02125%0.249CC..Hα-helixtrans-64.8-43.6179.6-176.963.3000111.3L609 L621 L637 D644 R645 C652 I678 A682L609-L648 HydrophobicContact CD2-CB 3.89Å; L609-L648 HydrophobicContact CD2-CD1 4.1Å; L609-L648 VanDerWaalsContact CD2-N 3.33Å; L621-L648 HydrophobicContact CD1-CD1 4.43Å; L637-L648 HydrophobicContact CD2-CD2 4.2Å; D644-L648 WeakPolarHBondContact O-CB 3.44Å; D644-L648 PolarHBondContact O-N 3.17Å; R645-L648 PolarHBondContact O-N 3.01Å; L648-C652 WeakPolarHBondContact O-CB 3.48Å; L648-C652 PolarHBondContact O-N 3.08Å; L648-C652 PolarHBondContact O-SG 3.44Å; L648-I678 HydrophobicContact CD1-CG2 4.35Å; L648-I678 HydrophobicContact CD2-CG2 4.22Å; L648-I678 HydrophobicContact CG-CG2 4.21Å; L648-A682 HydrophobicContact CB-CB 4.33Å; L648-A682 HydrophobicContact CD2-CB 4.16Å; L648-A682 HydrophobicContact CG-CB 4.25Å
649Q94.4Very high92.2Very high61 Ų6149.5 Ų49.529%0.28525%0.245SC..Hα-helixtrans-56.3-54.6173178.9-161.7-10.200111R645 A646 H651 C652 H653 A679 A682R645-Q649 WeakPolarHBondContact O-CB 3.32Å; R645-Q649 PolarHBondContact O-N 2.94Å; A646-Q649 PolarHBondContact O-N 3.46Å; Q649-H651 PolarHBondContact O-N 3.24Å; Q649-C652 PolarHBondContact O-N 3.38Å; Q649-H653 WeakPolarHBondContact O-CB 3.43Å; Q649-H653 PolarHBondContact O-N 3.49Å; Q649-A679 HydrophobicContact CG-CB 4.31Å; Q649-A682 HydrophobicContact CB-CB 4.18Å
650G92.9Very high92.4Very high35 Ų3550.5 Ų50.536%0.36125%0.25SC..Hα-helixtrans-62.5-42.5-178.200000112.8A646 L647 T654A646-G650 PolarHBondContact O-N 3.14Å; L647-G650 PolarHBondContact O-N 2.78Å; G650-T654 WeakPolarHBondContact O-CB 3.39Å; G650-T654 VanDerWaalsContact O-CG2 3.29Å; G650-T654 WeakPolarHBondContact O-CG2 3.5Å; G650-T654 PolarHBondContact O-N 3.45Å; G650-T654 PolarHBondContact O-OG1 2.65Å
651H94.9Very high92.6Very high19 Ų1957 Ų579%0.08828%0.284CS..Hα-helixtrans-63.2-46.6177.3-174.975.8000111.7L609 H614 L647 Q649 T654 A655L609-H651 HydrophobicContact CD1-CB 4.14Å; L609-H651 HydrophobicContact CD2-CB 4.34Å; H614-H651 AromaticContact ND1-ND1 3.78Å; H614-H651 PolarHBondContact O-CE1 3.02Å; L647-H651 VanDerWaalsContact O-CB 3.27Å; L647-H651 WeakPolarHBondContact O-CB 3.32Å; L647-H651 PolarHBondContact O-N 2.93Å; Q649-H651 PolarHBondContact O-N 3.24Å; H651-T654 PolarHBondContact O-N 3.45Å; H651-T654 PolarHBondContact O-OG1 3.24Å; H651-A655 VanDerWaalsContact O-CB 3.27Å; H651-A655 WeakPolarHBondContact O-CB 3.32Å; H651-A655 PolarHBondContact O-N 2.77Å
652C94.8Very high92.7Very high0 Ų057.9 Ų57.90%030%0.303CS..Hα-helixtrans-68.6-39.7-179.9-65.20000112.1L648 Q649 A655 A656 Y675 I678 A679L648-C652 WeakPolarHBondContact O-CB 3.48Å; L648-C652 PolarHBondContact O-N 3.08Å; L648-C652 PolarHBondContact O-SG 3.44Å; Q649-C652 PolarHBondContact O-N 3.38Å; C652-A655 PolarHBondContact O-N 3.37Å; C652-A656 WeakPolarHBondContact O-CB 3.31Å; C652-A656 PolarHBondContact O-N 3.02Å; C652-Y675 HydrophobicContact CB-CD1 4.23Å; C652-Y675 WeakPolarHBondContact CB-O 3.08Å; C652-I678 HydrophobicContact CB-CB 4.48Å; C652-I678 VanDerWaalsContact SG-CG2 3.59Å; C652-A679 HydrophobicContact CB-CB 3.9Å
653H95.2Very high92.6Very high22 Ų2253.8 Ų53.810%0.10229%0.289CS..Hα-helixtrans-62.1-46.6175.9-178.583.1000111.8Q649 A656 K657 A679 S690Q649-H653 WeakPolarHBondContact O-CB 3.43Å; Q649-H653 PolarHBondContact O-N 3.49Å; H653-A656 PolarHBondContact O-N 3.11Å; H653-K657 WeakPolarHBondContact NE2-CD 3.41Å; H653-K657 WeakPolarHBondContact NE2-CE 3.46Å; H653-K657 PolarHBondContact NE2-NZ 2.87Å; H653-K657 PolarHBondContact O-N 2.94Å; H653-A679 HydrophobicContact CB-CB 4.47Å; H653-S690 PolarHBondContact ND1-OG 3.05Å
654T94.3Very high92.5Very high57 Ų5751.8 Ų51.835%0.3529%0.285SS..Hα-helixtrans-67.2-37.5178.3530000112.4G650 H651 K657 R658G650-T654 WeakPolarHBondContact O-CB 3.39Å; G650-T654 VanDerWaalsContact O-CG2 3.29Å; G650-T654 WeakPolarHBondContact O-CG2 3.5Å; G650-T654 PolarHBondContact O-N 3.45Å; G650-T654 PolarHBondContact O-OG1 2.65Å; H651-T654 PolarHBondContact O-N 3.45Å; H651-T654 PolarHBondContact O-OG1 3.24Å; T654-K657 PolarHBondContact O-N 3.28Å; T654-R658 WeakPolarHBondContact O-CG 3.47Å; T654-R658 PolarHBondContact O-N 2.88Å
655A93.7Very high92.5Very high6 Ų657.6 Ų57.65%0.0531%0.312CS..Hα-helixtrans-62.1-46173.300000111.6H651 C652 K657 R658 I659 Y675H651-A655 VanDerWaalsContact O-CB 3.27Å; H651-A655 WeakPolarHBondContact O-CB 3.32Å; H651-A655 PolarHBondContact O-N 2.77Å; C652-A655 PolarHBondContact O-N 3.37Å; A655-K657 PolarHBondContact O-N 3.28Å; A655-R658 PolarHBondContact O-N 3.23Å; A655-I659 VanDerWaalsContact O-CG1 3.32Å; A655-I659 WeakPolarHBondContact O-CG1 3.27Å; A655-I659 PolarHBondContact O-N 3.21Å; A655-Y675 HydrophobicContact CB-CD1 3.83Å; A655-Y675 HydrophobicContact CB-CE1 3.92Å; A655-Y675 HydrophobicContact CB-CG 4.37Å
656A94.8Very high92.3Very high0 Ų060.2 Ų60.20%033%0.327CS..Hα-helixtrans-60.1-45.6176.700000112.3C652 H653 R658 I659 L660 A672 L676C652-A656 WeakPolarHBondContact O-CB 3.31Å; C652-A656 PolarHBondContact O-N 3.02Å; H653-A656 PolarHBondContact O-N 3.11Å; A656-R658 PolarHBondContact O-N 3.39Å; A656-I659 PolarHBondContact O-N 3.36Å; A656-L660 WeakPolarHBondContact O-CG 3.41Å; A656-L660 PolarHBondContact O-N 2.96Å; A656-A672 HydrophobicContact CB-CB 4.31Å; A656-L676 HydrophobicContact CB-CD1 4.18Å; A656-L676 HydrophobicContact CB-CD2 3.74Å; A656-L676 HydrophobicContact CB-CG 3.55Å
657K93.6Very high92.2Very high74 Ų7461.5 Ų61.532%0.32233%0.333SS..Hα-helixtrans-58-46.9175.7-82.3-173.9166.91640112.1H653 T654 A655 I659 L660 D661 E693H653-K657 WeakPolarHBondContact NE2-CD 3.41Å; H653-K657 WeakPolarHBondContact NE2-CE 3.46Å; H653-K657 PolarHBondContact NE2-NZ 2.87Å; H653-K657 PolarHBondContact O-N 2.94Å; T654-K657 PolarHBondContact O-N 3.28Å; A655-K657 PolarHBondContact O-N 3.28Å; K657-I659 VanDerWaalsContact C-N 3.28Å; K657-I659 PolarHBondContact O-N 3.46Å; K657-L660 PolarHBondContact O-N 3.38Å; K657-L660 VanDerWaalsContact O-N 3.16Å; K657-D661 WeakPolarHBondContact O-CB 3.27Å; K657-D661 PolarHBondContact O-N 3.4Å; K657-E693 WeakPolarHBondContact CE-OE1 3.3Å
658R93.4Very high92.1Very high168 Ų16858.2 Ų58.263%0.63432%0.316SS*.Hα-helixtrans-59.3-37.3176.5-70.8174.2-170.4153.72.9112.9T654 A655 A656 A662T654-R658 WeakPolarHBondContact O-CG 3.47Å; T654-R658 PolarHBondContact O-N 2.88Å; A655-R658 PolarHBondContact O-N 3.23Å; A656-R658 PolarHBondContact O-N 3.39Å; R658-A662 WeakPolarHBondContact O-CB 3.17Å; R658-A662 PolarHBondContact O-N 2.85Å; R658-A662 VanDerWaalsContact O-N 3.17Å
659I92.8Very high92.1Very high29 Ų2958.1 Ų58.115%0.14932%0.316CS..Hα-helixtrans-67.1-45.2177.1-67.5163.2000110.4A655 A656 K657 A662 S663 S668 E671 A672 Y675A655-I659 VanDerWaalsContact O-CG1 3.32Å; A655-I659 WeakPolarHBondContact O-CG1 3.27Å; A655-I659 PolarHBondContact O-N 3.21Å; A656-I659 PolarHBondContact O-N 3.36Å; K657-I659 VanDerWaalsContact C-N 3.28Å; K657-I659 PolarHBondContact O-N 3.46Å; I659-A662 PolarHBondContact O-N 3.21Å; I659-S663 PolarHBondContact O-N 3.47Å; I659-S663 VanDerWaalsContact O-N 3.16Å; I659-S668 VanDerWaalsContact CG2-O 3.28Å; I659-S668 WeakPolarHBondContact CG2-O 3.25Å; I659-E671 HydrophobicContact CD1-CG 3.93Å; I659-A672 HydrophobicContact CB-CB 4.46Å; I659-A672 HydrophobicContact CG2-CB 4.22Å; I659-Y675 HydrophobicContact CD1-CD2 3.74Å; I659-Y675 HydrophobicContact CD1-CE2 3.79Å
660L92.4Very high91.9Very high24 Ų2462.1 Ų62.113%0.12633%0.329CS..Hα-helixtrans-65.9-36.5178.7-67.6170.7000112.6A656 K657 A662 V669 A672A656-L660 WeakPolarHBondContact O-CG 3.41Å; A656-L660 PolarHBondContact O-N 2.96Å; K657-L660 PolarHBondContact O-N 3.38Å; K657-L660 VanDerWaalsContact O-N 3.16Å; L660-A662 VanDerWaalsContact C-N 3.3Å; L660-V669 HydrophobicContact CD2-CG2 4.24Å; L660-A672 HydrophobicContact CD1-CB 4.16Å; L660-A672 HydrophobicContact CD2-CB 3.67Å; L660-A672 HydrophobicContact CG-CB 3.66Å
661D90.8Very high91.9Very high140 Ų14063.5 Ų63.575%0.74933%0.326SS*.Hα-helixtrans-70-27.5176.3-67.4-24.6000112.1K657K657-D661 WeakPolarHBondContact O-CB 3.27Å; K657-D661 PolarHBondContact O-N 3.4Å
662A90.4Very high91.9Very high88 Ų8862.6 Ų62.673%0.72732%0.322SS*.Hα-helixtrans-82-43.2-178.500000113.5R658 I659 L660R658-A662 WeakPolarHBondContact O-CB 3.17Å; R658-A662 PolarHBondContact O-N 2.85Å; R658-A662 VanDerWaalsContact O-N 3.17Å; I659-A662 PolarHBondContact O-N 3.21Å; L660-A662 VanDerWaalsContact C-N 3.3Å
663S86.5Confident91.8Very high40 Ų4063.3 Ų63.328%0.2833%0.326SS..  trans-156140.2-179.8178.10000111.9I659 E665 S668I659-S663 PolarHBondContact O-N 3.47Å; I659-S663 VanDerWaalsContact O-N 3.16Å; S663-E665 WeakPolarHBondContact OG-CG 3.45Å; S663-E665 PolarHBondContact OG-N 3.32Å; S663-S668 PolarHBondContact O-OG 3.47Å
664L85.4Confident91.7Very high126 Ų12663.6 Ų63.666%0.6633%0.332SS*.  trans-101.521.5175-64.9174.1000112.8L700L664-L700 HydrophobicContact CD2-CD1 4.25Å
665E90.4Very high91.7Very high128 Ų12860.9 Ų60.960%0.59832%0.316SS*.SBendtrans-63.7154.1171.2-74.4176.6-167.700112S663 S667 S668 V669S663-E665 WeakPolarHBondContact OG-CG 3.45Å; S663-E665 PolarHBondContact OG-N 3.32Å; E665-S667 PolarHBondContact O-N 2.88Å; E665-S668 PolarHBondContact N-OG 2.9Å; E665-S668 PolarHBondContact O-N 3.48Å; E665-S668 PolarHBondContact O-OG 2.92Å; E665-V669 VanDerWaalsContact O-CG2 3.29Å; E665-V669 WeakPolarHBondContact O-CG2 3.47Å; E665-V669 PolarHBondContact O-N 2.94Å
666E89.2Confident91.8Very high112 Ų11260.6 Ų60.652%0.52331%0.313SS..Hα-helixtrans-60.8-34-177.1-163.1-178169.900112.6R670 L701E666-R670 VanDerWaalsContact O-CG 3.27Å; E666-R670 WeakPolarHBondContact O-CG 3.46Å; E666-R670 PolarHBondContact O-N 3.46Å; E666-R670 VanDerWaalsContact O-N 3.08Å; E666-R670 IonicContact OE1-CZ 2.69Å; E666-R670 IonicContact OE1-NE 3.45Å; E666-R670 IonicContact OE1-NH2 3.27Å; E666-R670 PolarHBondContact OE1-NH2 3.31Å; E666-L701 HydrophobicContact CG-CD2 3.54Å
667S89.6Confident91.7Very high77 Ų7761.8 Ų61.854%0.53832%0.322SS..Hα-helixtrans-66-47.517754.30000112.4E665 R670 E671E665-S667 PolarHBondContact O-N 2.88Å; S667-R670 PolarHBondContact O-N 3.28Å; S667-E671 PolarHBondContact O-N 3.22Å
668S91.1Very high91.7Very high12 Ų1258.4 Ų58.48%0.08431%0.307CS..Hα-helixtrans-67.9-37.8179.460.60000111.5I659 S663 E665 R670 E671 A672I659-S668 VanDerWaalsContact CG2-O 3.28Å; I659-S668 WeakPolarHBondContact CG2-O 3.25Å; S663-S668 PolarHBondContact O-OG 3.47Å; E665-S668 PolarHBondContact N-OG 2.9Å; E665-S668 PolarHBondContact O-N 3.48Å; E665-S668 PolarHBondContact O-OG 2.92Å; S668-R670 VanDerWaalsContact C-N 3.35Å; S668-R670 PolarHBondContact O-N 3.17Å; S668-E671 PolarHBondContact O-N 3.29Å; S668-A672 WeakPolarHBondContact O-CB 3.49Å; S668-A672 PolarHBondContact O-N 2.99Å
669V92.8Very high91.7Very high2 Ų250.4 Ų50.41%0.01228%0.276CS..Hα-helixtrans-64.3-39.7174.9178.20000111L660 E665 A672 V673 C697 L700 L701L660-V669 HydrophobicContact CD2-CG2 4.24Å; E665-V669 VanDerWaalsContact O-CG2 3.29Å; E665-V669 WeakPolarHBondContact O-CG2 3.47Å; E665-V669 PolarHBondContact O-N 2.94Å; V669-A672 PolarHBondContact O-N 3.35Å; V669-V673 VanDerWaalsContact O-CG2 3.3Å; V669-V673 WeakPolarHBondContact O-CG2 3.32Å; V669-V673 PolarHBondContact O-N 3.41Å; V669-C697 HydrophobicContact CG1-CB 3.66Å; V669-L700 HydrophobicContact CG2-CD1 4.45Å; V669-L701 HydrophobicContact CB-CD2 4.09Å; V669-L701 HydrophobicContact CB-CG 4.47Å; V669-L701 HydrophobicContact CG1-CD1 4.02Å; V669-L701 HydrophobicContact CG1-CD2 3.84Å; V669-L701 HydrophobicContact CG1-CG 3.67Å
670R91.6Very high91.7Very high145 Ų14549.6 Ų49.655%0.54727%0.273SS..Hα-helixtrans-65.3-39.7174-73.4174-173.6179.81.1112.4E666 S667 S668 V673 A674 L701E666-R670 VanDerWaalsContact O-CG 3.27Å; E666-R670 WeakPolarHBondContact O-CG 3.46Å; E666-R670 PolarHBondContact O-N 3.46Å; E666-R670 VanDerWaalsContact O-N 3.08Å; E666-R670 IonicContact OE1-CZ 2.69Å; E666-R670 IonicContact OE1-NE 3.45Å; E666-R670 IonicContact OE1-NH2 3.27Å; E666-R670 PolarHBondContact OE1-NH2 3.31Å; S667-R670 PolarHBondContact O-N 3.28Å; S668-R670 VanDerWaalsContact C-N 3.35Å; S668-R670 PolarHBondContact O-N 3.17Å; R670-V673 PolarHBondContact O-N 3.1Å; R670-A674 PolarHBondContact O-N 2.99Å; R670-A674 VanDerWaalsContact O-N 3.12Å; R670-L701 HydrophobicContact CG-CD1 4.08Å; R670-L701 HydrophobicContact CG-CD2 4.08Å
671E91.7Very high91.7Very high65 Ų6551.7 Ų51.730%0.30428%0.282SS..Hα-helixtrans-61.5-46.7173.6-169.3-178.1172.300110.7K622 I659 S667 S668 V673 A674 Y675K622-E671 WeakPolarHBondContact CE-OE1 3.13Å; K622-E671 IonicContact NZ-OE1 3.33Å; I659-E671 HydrophobicContact CD1-CG 3.93Å; S667-E671 PolarHBondContact O-N 3.22Å; S668-E671 PolarHBondContact O-N 3.29Å; E671-V673 VanDerWaalsContact C-N 3.35Å; E671-V673 PolarHBondContact O-N 2.94Å; E671-A674 WeakPolarHBondContact O-CB 3.34Å; E671-A674 PolarHBondContact O-N 3.24Å; E671-A674 VanDerWaalsContact O-N 3.11Å; E671-Y675 HydrophobicContact CG-CD2 4.12Å; E671-Y675 HydrophobicContact CG-CE2 3.88Å; E671-Y675 WeakPolarHBondContact O-CD2 3.28Å; E671-Y675 PolarHBondContact O-N 3.5Å; E671-Y675 VanDerWaalsContact O-N 3.09Å
672A94.6Very high91.7Very high0 Ų045.1 Ų45.10%025%0.247CC..Hα-helixtrans-59.7-42176.400000112.5A656 I659 L660 S668 V669 A674 Y675 L676A656-A672 HydrophobicContact CB-CB 4.31Å; I659-A672 HydrophobicContact CB-CB 4.46Å; I659-A672 HydrophobicContact CG2-CB 4.22Å; L660-A672 HydrophobicContact CD1-CB 4.16Å; L660-A672 HydrophobicContact CD2-CB 3.67Å; L660-A672 HydrophobicContact CG-CB 3.66Å; S668-A672 WeakPolarHBondContact O-CB 3.49Å; S668-A672 PolarHBondContact O-N 2.99Å; V669-A672 PolarHBondContact O-N 3.35Å; A672-A674 VanDerWaalsContact C-N 3.27Å; A672-A674 PolarHBondContact O-N 3.16Å; A672-Y675 PolarHBondContact O-N 3.46Å; A672-L676 WeakPolarHBondContact O-CB 3.35Å; A672-L676 VanDerWaalsContact O-CG 3.25Å; A672-L676 WeakPolarHBondContact O-CG 3.34Å; A672-L676 PolarHBondContact O-N 3.33Å
673V94.1Very high91.5Very high14 Ų1441.9 Ų41.99%0.08522%0.22CC..Hα-helixtrans-58.6-40174.6167.50000111.7V669 R670 E671 S677 R694 C697 Y698 L701V669-V673 VanDerWaalsContact O-CG2 3.3Å; V669-V673 WeakPolarHBondContact O-CG2 3.32Å; V669-V673 PolarHBondContact O-N 3.41Å; R670-V673 PolarHBondContact O-N 3.1Å; E671-V673 VanDerWaalsContact C-N 3.35Å; E671-V673 PolarHBondContact O-N 2.94Å; V673-S677 WeakPolarHBondContact O-CB 3.36Å; V673-S677 PolarHBondContact O-N 3.39Å; V673-S677 PolarHBondContact O-OG 3.2Å; V673-R694 HydrophobicContact CG1-CG 4.17Å; V673-R694 HydrophobicContact CG2-CG 4.36Å; V673-C697 HydrophobicContact CG2-CB 3.37Å; V673-Y698 HydrophobicContact CG1-CE1 3.8Å; V673-Y698 WeakPolarHBondContact CG1-OH 3.33Å; V673-Y698 HydrophobicContact CG2-CE1 4.38Å; V673-L701 HydrophobicContact CG2-CD1 4.17Å
674A92.7Very high91.3Very high29 Ų2943.3 Ų43.324%0.2424%0.24CC..Hα-helixtrans-63.8-48.2176.800000111.8L625 R670 E671 A672 S677 I678L625-A674 HydrophobicContact CD1-CB 3.82Å; L625-A674 HydrophobicContact CD2-CB 3.61Å; L625-A674 HydrophobicContact CG-CB 4.26Å; R670-A674 PolarHBondContact O-N 2.99Å; R670-A674 VanDerWaalsContact O-N 3.12Å; E671-A674 WeakPolarHBondContact O-CB 3.34Å; E671-A674 PolarHBondContact O-N 3.24Å; E671-A674 VanDerWaalsContact O-N 3.11Å; A672-A674 VanDerWaalsContact C-N 3.27Å; A672-A674 PolarHBondContact O-N 3.16Å; A674-S677 WeakPolarHBondContact O-CB 3.44Å; A674-S677 PolarHBondContact O-N 2.92Å; A674-I678 WeakPolarHBondContact O-CG1 3.5Å; A674-I678 PolarHBondContact O-N 3.2Å; A674-I678 VanDerWaalsContact O-N 3.11Å
675Y94.4Very high91.1Very high0 Ų039 Ų390%023%0.227CC..Hα-helixtrans-60.6-45.5174.3-82.9-84.8000112.6N618 L621 K622 L625 C652 A655 I659 E671 A672 S677 I678 A679N618-Y675 WeakPolarHBondContact OD1-CE1 3.46Å; N618-Y675 PolarHBondContact OD1-OH 3.33Å; L621-Y675 HydrophobicContact CB-CE1 4.14Å; L621-Y675 HydrophobicContact CD1-CE1 4.12Å; K622-Y675 WeakPolarHBondContact CG-OH 3.34Å; L625-Y675 HydrophobicContact CD1-CD2 3.87Å; L625-Y675 HydrophobicContact CD1-CE2 3.65Å; L625-Y675 HydrophobicContact CD1-CG 4.45Å; C652-Y675 HydrophobicContact CB-CD1 4.23Å; C652-Y675 WeakPolarHBondContact CB-O 3.08Å; A655-Y675 HydrophobicContact CB-CD1 3.83Å; A655-Y675 HydrophobicContact CB-CE1 3.92Å; A655-Y675 HydrophobicContact CB-CG 4.37Å; I659-Y675 HydrophobicContact CD1-CD2 3.74Å; I659-Y675 HydrophobicContact CD1-CE2 3.79Å; E671-Y675 HydrophobicContact CG-CD2 4.12Å; E671-Y675 HydrophobicContact CG-CE2 3.88Å; E671-Y675 WeakPolarHBondContact O-CD2 3.28Å; E671-Y675 PolarHBondContact O-N 3.5Å; E671-Y675 VanDerWaalsContact O-N 3.09Å; A672-Y675 PolarHBondContact O-N 3.46Å; Y675-S677 VanDerWaalsContact C-N 3.26Å; Y675-S677 PolarHBondContact O-N 3.42Å; Y675-I678 PolarHBondContact O-N 3.24Å; Y675-I678 VanDerWaalsContact O-N 3.14Å; Y675-A679 PolarHBondContact O-N 2.95Å
676L94.8Very high90.5Very high0 Ų040.2 Ų40.20%023%0.232CC..Hα-helixtrans-61.9-36.2177.5-68.7164.2000111.6A656 A672 A679 I680 E693 R694A656-L676 HydrophobicContact CB-CD1 4.18Å; A656-L676 HydrophobicContact CB-CD2 3.74Å; A656-L676 HydrophobicContact CB-CG 3.55Å; A672-L676 WeakPolarHBondContact O-CB 3.35Å; A672-L676 VanDerWaalsContact O-CG 3.25Å; A672-L676 WeakPolarHBondContact O-CG 3.34Å; A672-L676 PolarHBondContact O-N 3.33Å; L676-A679 WeakPolarHBondContact O-CB 3.49Å; L676-A679 PolarHBondContact O-N 2.82Å; L676-I680 WeakPolarHBondContact O-CD1 3.45Å; L676-I680 WeakPolarHBondContact O-CG1 3.25Å; L676-I680 PolarHBondContact O-N 3.35Å; L676-E693 HydrophobicContact CD1-CB 3.91Å; L676-E693 HydrophobicContact CD2-CB 4.05Å; L676-R694 HydrophobicContact CB-CB 3.98Å; L676-R694 HydrophobicContact CB-CG 4.23Å; L676-R694 HydrophobicContact CD1-CB 3.99Å
677S93.5Very high90.3Very high25 Ų2535.1 Ų35.118%0.17521%0.209CC..Hα-helixtrans-65.3-38.9175.5-60.60000112.2V673 A674 Y675 A679 I680 M681 R694V673-S677 WeakPolarHBondContact O-CB 3.36Å; V673-S677 PolarHBondContact O-N 3.39Å; V673-S677 PolarHBondContact O-OG 3.2Å; A674-S677 WeakPolarHBondContact O-CB 3.44Å; A674-S677 PolarHBondContact O-N 2.92Å; Y675-S677 VanDerWaalsContact C-N 3.26Å; Y675-S677 PolarHBondContact O-N 3.42Å; S677-A679 VanDerWaalsContact C-N 3.35Å; S677-I680 PolarHBondContact O-N 3.26Å; S677-M681 WeakPolarHBondContact O-CE 3.34Å; S677-M681 WeakPolarHBondContact O-CG 3.26Å; S677-M681 PolarHBondContact O-N 3.5Å; S677-R694 WeakPolarHBondContact OG-CD 3.39Å; S677-R694 PolarHBondContact OG-NH1 3.14Å
678I93.2Very high90.3Very high2 Ų234.7 Ų34.71%0.0120%0.199CC..Hα-helixtrans-62.9-43.3171.5-60.3178.9000110.5L621 L625 L633 L648 C652 A674 Y675 I680 M681 A682L621-I678 HydrophobicContact CD2-CD1 4.15Å; L625-I678 HydrophobicContact CD2-CD1 3.89Å; L625-I678 HydrophobicContact CG-CD1 4.45Å; L633-I678 HydrophobicContact CD1-CB 4.44Å; L633-I678 HydrophobicContact CD1-CD1 4.19Å; L633-I678 HydrophobicContact CD1-CG1 3.74Å; L633-I678 HydrophobicContact CD1-CG2 4.22Å; L648-I678 HydrophobicContact CD1-CG2 4.35Å; L648-I678 HydrophobicContact CD2-CG2 4.22Å; L648-I678 HydrophobicContact CG-CG2 4.21Å; C652-I678 HydrophobicContact CB-CB 4.48Å; C652-I678 VanDerWaalsContact SG-CG2 3.59Å; A674-I678 WeakPolarHBondContact O-CG1 3.5Å; A674-I678 PolarHBondContact O-N 3.2Å; A674-I678 VanDerWaalsContact O-N 3.11Å; Y675-I678 PolarHBondContact O-N 3.24Å; Y675-I678 VanDerWaalsContact O-N 3.14Å; I678-I680 PolarHBondContact O-N 3.15Å; I678-M681 HydrophobicContact CG1-CE 4.27Å; I678-M681 PolarHBondContact O-N 3.49Å; I678-A682 WeakPolarHBondContact O-CB 3.36Å; I678-A682 PolarHBondContact O-N 3.49Å
679A93.9Very high90.3Very high0 Ų039 Ų390%022%0.221CC..Hα-helixtrans-60.6-44.2178.200000112.4Q649 C652 H653 Y675 L676 S677 A682 S683Q649-A679 HydrophobicContact CG-CB 4.31Å; C652-A679 HydrophobicContact CB-CB 3.9Å; H653-A679 HydrophobicContact CB-CB 4.47Å; Y675-A679 PolarHBondContact O-N 2.95Å; L676-A679 WeakPolarHBondContact O-CB 3.49Å; L676-A679 PolarHBondContact O-N 2.82Å; S677-A679 VanDerWaalsContact C-N 3.35Å; A679-A682 PolarHBondContact O-N 3.29Å; A679-S683 PolarHBondContact O-N 3.06Å; A679-S683 VanDerWaalsContact O-N 3.13Å
680I93Very high90.3Very high13 Ų1339 Ų397%0.06722%0.221CC..Hα-helixtrans-66.9-40.7178.3-65159.3000111.1L676 S677 I678 A682 S683 G685 A687 L691 R694L676-I680 WeakPolarHBondContact O-CD1 3.45Å; L676-I680 WeakPolarHBondContact O-CG1 3.25Å; L676-I680 PolarHBondContact O-N 3.35Å; S677-I680 PolarHBondContact O-N 3.26Å; I678-I680 PolarHBondContact O-N 3.15Å; I680-A682 VanDerWaalsContact C-N 3.33Å; I680-S683 PolarHBondContact O-N 3.14Å; I680-S683 PolarHBondContact O-OG 2.99Å; I680-G685 WeakPolarHBondContact O-CA 3.5Å; I680-G685 PolarHBondContact O-N 3.47Å; I680-A687 HydrophobicContact CG1-CB 4.45Å; I680-L691 HydrophobicContact CD1-CD2 3.78Å; I680-L691 HydrophobicContact CD1-CG 4.04Å; I680-L691 HydrophobicContact CG1-CD2 4.26Å; I680-L691 HydrophobicContact CG1-CG 4.12Å; I680-L691 HydrophobicContact CG2-CD2 4.12Å; I680-L691 HydrophobicContact CG2-CG 4.4Å; I680-R694 HydrophobicContact CD1-CB 4.26Å
681M91.4Very high90.5Very high67 Ų6732.5 Ų32.533%0.3320%0.197SC..Hα-helixtrans-62.2-43.7174-74.7-175.4-74.400110.9L633 L637 S677 I678 S683 G684L633-M681 HydrophobicContact CD1-CE 3.58Å; L637-M681 VanDerWaalsContact CD1-C 3.45Å; L637-M681 HydrophobicContact CD1-CB 3.73Å; L637-M681 WeakPolarHBondContact CD1-O 3.49Å; S677-M681 WeakPolarHBondContact O-CE 3.34Å; S677-M681 WeakPolarHBondContact O-CG 3.26Å; S677-M681 PolarHBondContact O-N 3.5Å; I678-M681 HydrophobicContact CG1-CE 4.27Å; I678-M681 PolarHBondContact O-N 3.49Å; M681-S683 VanDerWaalsContact C-N 3.29Å; M681-S683 PolarHBondContact O-N 3.25Å; M681-G684 PolarHBondContact O-N 2.82Å; M681-G684 VanDerWaalsContact O-N 3.08Å
682A90.7Very high90.6Very high2 Ų230.8 Ų30.82%0.01719%0.189CC..Hα-helixtrans-63.3-32.4-178.600000113.4L637 L648 Q649 I678 A679 I680 G684L637-A682 HydrophobicContact CD2-CB 4.01Å; L648-A682 HydrophobicContact CB-CB 4.33Å; L648-A682 HydrophobicContact CD2-CB 4.16Å; L648-A682 HydrophobicContact CG-CB 4.25Å; Q649-A682 HydrophobicContact CB-CB 4.18Å; I678-A682 WeakPolarHBondContact O-CB 3.36Å; I678-A682 PolarHBondContact O-N 3.49Å; A679-A682 PolarHBondContact O-N 3.29Å; I680-A682 VanDerWaalsContact C-N 3.33Å; A682-G684 VanDerWaalsContact C-N 3.28Å; A682-G684 PolarHBondContact O-N 3.4Å
683S86.8Confident90.6Very high21 Ų2132.1 Ų32.115%0.14720%0.195CC..THydrogen-bonded Turntrans-80.9-1.6175.871.90000114.5A679 I680 M681 G685 E686 A687A679-S683 PolarHBondContact O-N 3.06Å; A679-S683 VanDerWaalsContact O-N 3.13Å; I680-S683 PolarHBondContact O-N 3.14Å; I680-S683 PolarHBondContact O-OG 2.99Å; M681-S683 VanDerWaalsContact C-N 3.29Å; M681-S683 PolarHBondContact O-N 3.25Å; S683-G685 VanDerWaalsContact C-N 3.3Å; S683-E686 PolarHBondContact OG-N 3.32Å; S683-A687 WeakPolarHBondContact OG-CB 3.34Å; S683-A687 PolarHBondContact OG-N 2.93Å; S683-A687 VanDerWaalsContact OG-N 3.1Å
684G83.3Confident90.6Very high69 Ų6933.1 Ų33.171%0.71120%0.197SC*.THydrogen-bonded Turntrans78.611.5-173.600000114.3M681 A682M681-G684 PolarHBondContact O-N 2.82Å; M681-G684 VanDerWaalsContact O-N 3.08Å; A682-G684 VanDerWaalsContact C-N 3.28Å; A682-G684 PolarHBondContact O-N 3.4Å
685G80.9Confident90.8Very high36 Ų3631.7 Ų31.737%0.37119%0.185SC..THydrogen-bonded Turntrans103.3-6.6179.800000114.8I680 S683I680-G685 WeakPolarHBondContact O-CA 3.5Å; I680-G685 PolarHBondContact O-N 3.47Å; S683-G685 VanDerWaalsContact C-N 3.3Å
686E77.2Confident90.7Very high154 Ų15437.7 Ų37.772%0.7221%0.208SC*.  trans-98.516.7-171.1-61.9178.8178.300113.9S683 E688S683-E686 PolarHBondContact OG-N 3.32Å; E686-E688 PolarHBondContact O-N 2.96Å; E686-E688 VanDerWaalsContact O-N 3.07Å
687A85.8Confident90.7Very high4 Ų437.8 Ų37.83%0.03321%0.209CC..  trans-83.585.8-178.200000112I680 S683 D689 S690 L691I680-A687 HydrophobicContact CG1-CB 4.45Å; S683-A687 WeakPolarHBondContact OG-CB 3.34Å; S683-A687 PolarHBondContact OG-N 2.93Å; S683-A687 VanDerWaalsContact OG-N 3.1Å; A687-D689 PolarHBondContact O-N 3.18Å; A687-S690 PolarHBondContact O-N 3.02Å; A687-S690 VanDerWaalsContact O-N 3.13Å; A687-L691 WeakPolarHBondContact O-CB 3.4Å; A687-L691 WeakPolarHBondContact O-CG 3.46Å; A687-L691 PolarHBondContact O-N 3.23Å
688E89.8Confident90.8Very high68 Ų6838.3 Ų38.332%0.31821%0.207SC..Hα-helixtrans-45.7-58.5177.6-179.8-179.3-176.300113E686 S690 L691 F692 I714 H718 H721E686-E688 PolarHBondContact O-N 2.96Å; E686-E688 VanDerWaalsContact O-N 3.07Å; E688-S690 VanDerWaalsContact C-N 3.28Å; E688-S690 PolarHBondContact O-N 3.03Å; E688-L691 PolarHBondContact O-N 3.03Å; E688-F692 WeakPolarHBondContact O-CB 3.31Å; E688-F692 PolarHBondContact O-N 2.97Å; E688-I714 HydrophobicContact CG-CG2 4.14Å; E688-H718 IonicContact OE1-CD2 2.69Å; E688-H718 IonicContact OE2-CD2 2.79Å; E688-H718 PolarHBondContact OE2-CD2 2.83Å; E688-H718 IonicContact OE2-NE2 3.95Å; E688-H721 IonicContact OE1-CD2 3.53Å; E688-H721 PolarHBondContact OE1-CD2 2.91Å; E688-H721 IonicContact OE1-CG 3.99Å; E688-H721 IonicContact OE1-NE2 3.81Å; E688-H721 PolarHBondContact OE1-NE2 3.25Å
689D90.3Very high90.8Very high103 Ų10339.9 Ų39.955%0.55122%0.216SC*.Hα-helixtrans-59.7-37-178.7-70.5-27.9000112.7A687 E693A687-D689 PolarHBondContact O-N 3.18Å; D689-E693 WeakPolarHBondContact O-CG 3.37Å; D689-E693 PolarHBondContact O-N 3.32Å; D689-E693 VanDerWaalsContact O-N 3.15Å
690S93.5Very high90.6Very high1 Ų145.1 Ų45.11%0.00724%0.244CC..Hα-helixtrans-77.8-37.2-178.4-600000111.9H653 A687 E688 F692 R694H653-S690 PolarHBondContact ND1-OG 3.05Å; A687-S690 PolarHBondContact O-N 3.02Å; A687-S690 VanDerWaalsContact O-N 3.13Å; E688-S690 VanDerWaalsContact C-N 3.28Å; E688-S690 PolarHBondContact O-N 3.03Å; S690-F692 VanDerWaalsContact C-N 3.32Å; S690-R694 VanDerWaalsContact O-CB 3.3Å; S690-R694 WeakPolarHBondContact O-CB 3.37Å; S690-R694 PolarHBondContact O-N 2.83Å
691L94.4Very high90.6Very high10 Ų1046 Ų465%0.05225%0.248CC..Hα-helixtrans-61.3-43.4171.1-78165.4000110.8I680 A687 E688 R694 A695 D710 A713 I714I680-L691 HydrophobicContact CD1-CD2 3.78Å; I680-L691 HydrophobicContact CD1-CG 4.04Å; I680-L691 HydrophobicContact CG1-CD2 4.26Å; I680-L691 HydrophobicContact CG1-CG 4.12Å; I680-L691 HydrophobicContact CG2-CD2 4.12Å; I680-L691 HydrophobicContact CG2-CG 4.4Å; A687-L691 WeakPolarHBondContact O-CB 3.4Å; A687-L691 WeakPolarHBondContact O-CG 3.46Å; A687-L691 PolarHBondContact O-N 3.23Å; E688-L691 PolarHBondContact O-N 3.03Å; L691-R694 PolarHBondContact O-N 3.41Å; L691-A695 WeakPolarHBondContact O-CB 3.41Å; L691-A695 PolarHBondContact O-N 3.31Å; L691-D710 HydrophobicContact CD2-CB 4.34Å; L691-A713 HydrophobicContact CD1-CB 4.47Å; L691-I714 HydrophobicContact CB-CD1 3.82Å; L691-I714 HydrophobicContact CB-CG1 3.71Å; L691-I714 HydrophobicContact CD1-CG1 4.11Å
692F93.9Very high90.6Very high29 Ų2945 Ų4513%0.12726%0.255CS..Hα-helixtrans-63.4-49.3-179.1-178.2-103.3000111.5E688 S690 R694 A695 R696 F711 I714 Q723E688-F692 WeakPolarHBondContact O-CB 3.31Å; E688-F692 PolarHBondContact O-N 2.97Å; S690-F692 VanDerWaalsContact C-N 3.32Å; F692-R694 VanDerWaalsContact C-N 3.31Å; F692-R694 PolarHBondContact O-N 3.35Å; F692-A695 PolarHBondContact O-N 2.99Å; F692-R696 HydrophobicContact CE1-CG 4.34Å; F692-R696 HydrophobicContact CZ-CG 4.41Å; F692-R696 WeakPolarHBondContact O-CG 3.49Å; F692-R696 PolarHBondContact O-N 3.41Å; F692-F711 HydrophobicContact CD2-CD1 4.27Å; F692-F711 AromaticContact CD2-CE1 3.75Å; F692-F711 HydrophobicContact CD2-CE1 3.75Å; F692-F711 AromaticContact CE2-CE1 3.82Å; F692-F711 HydrophobicContact CE2-CE1 3.82Å; F692-I714 HydrophobicContact CB-CD1 3.85Å; F692-I714 HydrophobicContact CD2-CD1 4.41Å; F692-Q723 HydrophobicContact CE2-CB 3.69Å; F692-Q723 HydrophobicContact CZ-CB 3.73Å
693E94.3Very high90.8Very high28 Ų2849.2 Ų49.213%0.13128%0.275CS..Hα-helixtrans-65-35.3177.5-64.7-64.4-175.700112K657 L676 D689 R696 C697K657-E693 WeakPolarHBondContact CE-OE1 3.3Å; L676-E693 HydrophobicContact CD1-CB 3.91Å; L676-E693 HydrophobicContact CD2-CB 4.05Å; D689-E693 WeakPolarHBondContact O-CG 3.37Å; D689-E693 PolarHBondContact O-N 3.32Å; D689-E693 VanDerWaalsContact O-N 3.15Å; E693-R696 WeakPolarHBondContact O-CB 3.43Å; E693-R696 PolarHBondContact O-N 2.87Å; E693-R696 IonicContact OE1-NH1 3.22Å; E693-R696 IonicContact OE2-CZ 3.6Å; E693-R696 IonicContact OE2-NE 3.38Å; E693-R696 IonicContact OE2-NH1 2.99Å; E693-R696 PolarHBondContact OE2-NH1 3.42Å; E693-C697 PolarHBondContact O-N 3.48Å; E693-C697 PolarHBondContact O-SG 2.82Å
694R95.5Very high91.1Very high34 Ų3452.6 Ų52.613%0.12829%0.285CS..Hα-helixtrans-69.1-40.5178-165.9176.869.6-179.1-4111.2V673 L676 S677 I680 S690 L691 F692 R696 C697 Y698 D710V673-R694 HydrophobicContact CG1-CG 4.17Å; V673-R694 HydrophobicContact CG2-CG 4.36Å; L676-R694 HydrophobicContact CB-CB 3.98Å; L676-R694 HydrophobicContact CB-CG 4.23Å; L676-R694 HydrophobicContact CD1-CB 3.99Å; S677-R694 WeakPolarHBondContact OG-CD 3.39Å; S677-R694 PolarHBondContact OG-NH1 3.14Å; I680-R694 HydrophobicContact CD1-CB 4.26Å; S690-R694 VanDerWaalsContact O-CB 3.3Å; S690-R694 WeakPolarHBondContact O-CB 3.37Å; S690-R694 PolarHBondContact O-N 2.83Å; L691-R694 PolarHBondContact O-N 3.41Å; F692-R694 VanDerWaalsContact C-N 3.31Å; F692-R694 PolarHBondContact O-N 3.35Å; R694-R696 VanDerWaalsContact C-N 3.33Å; R694-R696 PolarHBondContact O-N 2.91Å; R694-C697 WeakPolarHBondContact O-CB 3.35Å; R694-C697 PolarHBondContact O-N 3.34Å; R694-Y698 HydrophobicContact CG-CD2 4.12Å; R694-Y698 HydrophobicContact CG-CE2 3.67Å; R694-Y698 WeakPolarHBondContact O-CD2 3.23Å; R694-Y698 PolarHBondContact O-N 2.95Å; R694-D710 IonicContact CZ-OD1 3.38Å; R694-D710 IonicContact CZ-OD2 3.05Å; R694-D710 IonicContact NE-OD1 3.75Å; R694-D710 IonicContact NE-OD2 3.5Å; R694-D710 PolarHBondContact NE-OD2 3.25Å; R694-D710 VanDerWaalsContact NH2-CG 3.33Å; R694-D710 IonicContact NH2-OD1 3.83Å; R694-D710 PolarHBondContact NH2-OD1 3.31Å; R694-D710 IonicContact NH2-OD2 3Å; R694-D710 PolarHBondContact NH2-OD2 2.88Å
695A95.4Very high91.6Very high0 Ų057.8 Ų57.80%029%0.288CS..Hα-helixtrans-58.2-46.3173.700000110.8L691 F692 C697 Y698 V699 A707 D710 F711L691-A695 WeakPolarHBondContact O-CB 3.41Å; L691-A695 PolarHBondContact O-N 3.31Å; F692-A695 PolarHBondContact O-N 2.99Å; A695-C697 VanDerWaalsContact C-N 3.34Å; A695-C697 PolarHBondContact O-N 3.03Å; A695-Y698 PolarHBondContact O-N 3.21Å; A695-Y698 VanDerWaalsContact O-N 3.14Å; A695-V699 WeakPolarHBondContact O-CG2 3.43Å; A695-V699 PolarHBondContact O-N 2.97Å; A695-A707 WeakPolarHBondContact O-CB 3.47Å; A695-D710 HydrophobicContact CB-CB 3.75Å; A695-F711 HydrophobicContact CB-CD1 3.72Å; A695-F711 HydrophobicContact CB-CD2 3.97Å; A695-F711 HydrophobicContact CB-CE1 3.45Å; A695-F711 VanDerWaalsContact CB-CE1 3.45Å; A695-F711 HydrophobicContact CB-CE2 3.73Å; A695-F711 HydrophobicContact CB-CG 3.96Å; A695-F711 HydrophobicContact CB-CZ 3.45Å; A695-F711 VanDerWaalsContact CB-CZ 3.45Å
696R92.8Very high92.2Very high125 Ų12558.8 Ų58.847%0.47229%0.286SS..Hα-helixtrans-57.9-43.9174.4-69.9177.868.1-151.76.2112.2F692 E693 R694 Y698 V699 L700F692-R696 HydrophobicContact CE1-CG 4.34Å; F692-R696 HydrophobicContact CZ-CG 4.41Å; F692-R696 WeakPolarHBondContact O-CG 3.49Å; F692-R696 PolarHBondContact O-N 3.41Å; E693-R696 WeakPolarHBondContact O-CB 3.43Å; E693-R696 PolarHBondContact O-N 2.87Å; E693-R696 IonicContact OE1-NH1 3.22Å; E693-R696 IonicContact OE2-CZ 3.6Å; E693-R696 IonicContact OE2-NE 3.38Å; E693-R696 IonicContact OE2-NH1 2.99Å; E693-R696 PolarHBondContact OE2-NH1 3.42Å; R694-R696 VanDerWaalsContact C-N 3.33Å; R694-R696 PolarHBondContact O-N 2.91Å; R696-Y698 VanDerWaalsContact C-N 3.35Å; R696-Y698 PolarHBondContact O-N 3.31Å; R696-V699 WeakPolarHBondContact O-CB 3.34Å; R696-V699 PolarHBondContact O-N 3.06Å; R696-L700 WeakPolarHBondContact O-CG 3.36Å; R696-L700 PolarHBondContact O-N 3.34Å; R696-L700 VanDerWaalsContact O-N 3.08Å
697C94.6Very high93.1Very high2 Ų251.4 Ų51.41%0.01425%0.252CS..Hα-helixtrans-59.4-44.4174.8-65.10000111.8V669 V673 E693 R694 A695 V699 L700 L701V669-C697 HydrophobicContact CG1-CB 3.66Å; V673-C697 HydrophobicContact CG2-CB 3.37Å; E693-C697 PolarHBondContact O-N 3.48Å; E693-C697 PolarHBondContact O-SG 2.82Å; R694-C697 WeakPolarHBondContact O-CB 3.35Å; R694-C697 PolarHBondContact O-N 3.34Å; A695-C697 VanDerWaalsContact C-N 3.34Å; A695-C697 PolarHBondContact O-N 3.03Å; C697-V699 VanDerWaalsContact C-N 3.3Å; C697-V699 PolarHBondContact O-N 3.47Å; C697-L700 WeakPolarHBondContact O-CB 3.38Å; C697-L700 PolarHBondContact O-N 3.13Å; C697-L700 VanDerWaalsContact O-N 3.11Å; C697-L701 WeakPolarHBondContact O-CG 3.26Å; C697-L701 PolarHBondContact O-N 3.41Å
698Y95.8Very high93.6Very high37 Ų3752.3 Ų52.315%0.14526%0.256CS..Hα-helixtrans-64-32.9176.2-73.7-46.6000113.3V673 R694 A695 R696 L701 G702 Q703 D710V673-Y698 HydrophobicContact CG1-CE1 3.8Å; V673-Y698 WeakPolarHBondContact CG1-OH 3.33Å; V673-Y698 HydrophobicContact CG2-CE1 4.38Å; R694-Y698 HydrophobicContact CG-CD2 4.12Å; R694-Y698 HydrophobicContact CG-CE2 3.67Å; R694-Y698 WeakPolarHBondContact O-CD2 3.23Å; R694-Y698 PolarHBondContact O-N 2.95Å; A695-Y698 PolarHBondContact O-N 3.21Å; A695-Y698 VanDerWaalsContact O-N 3.14Å; R696-Y698 VanDerWaalsContact C-N 3.35Å; R696-Y698 PolarHBondContact O-N 3.31Å; Y698-L701 HydrophobicContact CD1-CD1 4.38Å; Y698-L701 PolarHBondContact O-N 3.29Å; Y698-G702 PolarHBondContact O-N 3.03Å; Y698-G702 VanDerWaalsContact O-N 3.14Å; Y698-Q703 HydrophobicContact CD1-CB 4.08Å; Y698-Q703 HydrophobicContact CD1-CG 4.49Å; Y698-Q703 VanDerWaalsContact CD1-OE1 3.26Å; Y698-Q703 VanDerWaalsContact CE1-OE1 3.3Å; Y698-Q703 HydrophobicContact CG-CB 4.49Å; Y698-Q703 PolarHBondContact O-N 2.96Å; Y698-D710 WeakPolarHBondContact CE2-OD2 3.48Å
699V92.8Very high93.8Very high34 Ų3455.8 Ų55.821%0.20627%0.27CS..Hα-helixtrans-61.4-46.1170.5-177.20000110.9A695 R696 C697 L701 G702 A707 F711 T731 M734A695-V699 WeakPolarHBondContact O-CG2 3.43Å; A695-V699 PolarHBondContact O-N 2.97Å; R696-V699 WeakPolarHBondContact O-CB 3.34Å; R696-V699 PolarHBondContact O-N 3.06Å; C697-V699 VanDerWaalsContact C-N 3.3Å; C697-V699 PolarHBondContact O-N 3.47Å; V699-L701 VanDerWaalsContact C-N 3.33Å; V699-L701 PolarHBondContact O-N 3.44Å; V699-G702 PolarHBondContact O-N 2.82Å; V699-G702 VanDerWaalsContact O-N 3.1Å; V699-A707 HydrophobicContact CG2-CB 3.74Å; V699-F711 HydrophobicContact CG2-CE2 4.21Å; V699-T731 HydrophobicContact CB-CG2 4.38Å; V699-T731 HydrophobicContact CG1-CG2 4.29Å; V699-T731 HydrophobicContact CG2-CG2 3.23Å; V699-M734 HydrophobicContact CG1-CE 4.03Å; V699-M734 HydrophobicContact CG1-SD 3.88Å
700L91Very high94Very high111 Ų11151.1 Ų51.158%0.58125%0.245SC*.Hα-helixtrans-63-38.2177.8-65.5173.9000112.2L664 V669 R696 C697 G702L664-L700 HydrophobicContact CD2-CD1 4.25Å; V669-L700 HydrophobicContact CG2-CD1 4.45Å; R696-L700 WeakPolarHBondContact O-CG 3.36Å; R696-L700 PolarHBondContact O-N 3.34Å; R696-L700 VanDerWaalsContact O-N 3.08Å; C697-L700 WeakPolarHBondContact O-CB 3.38Å; C697-L700 PolarHBondContact O-N 3.13Å; C697-L700 VanDerWaalsContact O-N 3.11Å; L700-G702 PolarHBondContact O-N 3.11Å
701L92.8Very high94Very high30 Ų3051.2 Ų51.216%0.15725%0.245CC..THydrogen-bonded Turntrans-76-2175.5-64176.2000113.8E666 V669 R670 V673 C697 Y698 V699 Q703E666-L701 HydrophobicContact CG-CD2 3.54Å; V669-L701 HydrophobicContact CB-CD2 4.09Å; V669-L701 HydrophobicContact CB-CG 4.47Å; V669-L701 HydrophobicContact CG1-CD1 4.02Å; V669-L701 HydrophobicContact CG1-CD2 3.84Å; V669-L701 HydrophobicContact CG1-CG 3.67Å; R670-L701 HydrophobicContact CG-CD1 4.08Å; R670-L701 HydrophobicContact CG-CD2 4.08Å; V673-L701 HydrophobicContact CG2-CD1 4.17Å; C697-L701 WeakPolarHBondContact O-CG 3.26Å; C697-L701 PolarHBondContact O-N 3.41Å; Y698-L701 HydrophobicContact CD1-CD1 4.38Å; Y698-L701 PolarHBondContact O-N 3.29Å; V699-L701 VanDerWaalsContact C-N 3.33Å; V699-L701 PolarHBondContact O-N 3.44Å; L701-Q703 HydrophobicContact CB-CG 4.33Å; L701-Q703 PolarHBondContact O-N 3.21Å
702G91.4Very high94Very high46 Ų4652 Ų5247%0.47425%0.252SS..THydrogen-bonded Turntrans74.63.8-177.300000115.2Y698 V699 L700 R704Y698-G702 PolarHBondContact O-N 3.03Å; Y698-G702 VanDerWaalsContact O-N 3.14Å; V699-G702 PolarHBondContact O-N 2.82Å; V699-G702 VanDerWaalsContact O-N 3.1Å; L700-G702 PolarHBondContact O-N 3.11Å; G702-R704 PolarHBondContact O-N 3.34Å
703Q93.9Very high94Very high92 Ų9252 Ų5243%0.4326%0.257SS..  trans-81.166.9177.2-58.1-174.19.700111Y698 L701 K705 T706 A707Y698-Q703 HydrophobicContact CD1-CB 4.08Å; Y698-Q703 HydrophobicContact CD1-CG 4.49Å; Y698-Q703 VanDerWaalsContact CD1-OE1 3.26Å; Y698-Q703 VanDerWaalsContact CE1-OE1 3.3Å; Y698-Q703 HydrophobicContact CG-CB 4.49Å; Y698-Q703 PolarHBondContact O-N 2.96Å; L701-Q703 HydrophobicContact CB-CG 4.33Å; L701-Q703 PolarHBondContact O-N 3.21Å; Q703-K705 PolarHBondContact O-N 2.84Å; Q703-T706 VanDerWaalsContact CB-OG1 3.24Å; Q703-T706 WeakPolarHBondContact CB-OG1 3.42Å; Q703-T706 PolarHBondContact O-N 2.91Å; Q703-T706 PolarHBondContact O-OG1 3.02Å; Q703-A707 PolarHBondContact O-N 3.09Å
704R94.1Very high93.9Very high92 Ų9250.9 Ų50.935%0.34725%0.252SS..Hα-helixtrans-63.3-36-169.6-62.8170.4-171.8166.9-1.1113.8G702 A707 I708 M734 L735G702-R704 PolarHBondContact O-N 3.34Å; R704-A707 PolarHBondContact O-N 2.95Å; R704-I708 WeakPolarHBondContact O-CD1 3.38Å; R704-I708 VanDerWaalsContact O-CG1 3.3Å; R704-I708 WeakPolarHBondContact O-CG1 3.44Å; R704-I708 PolarHBondContact O-N 3.35Å; R704-M734 PolarHBondContact NH1-O 2.7Å; R704-L735 HydrophobicContact CB-CD1 4.17Å; R704-L735 HydrophobicContact CB-CD2 3.95Å; R704-L735 HydrophobicContact CB-CG 4.05Å; R704-L735 HydrophobicContact CG-CD2 4.39Å
705K93.3Very high93.8Very high178 Ų17849.9 Ų49.977%0.77425%0.249SC*.Hα-helixtrans-68.6-38.1-179.7-67.1-174.8179.4-178.90112.8Q703 I708 F709Q703-K705 PolarHBondContact O-N 2.84Å; K705-I708 PolarHBondContact O-N 3.22Å; K705-F709 PolarHBondContact O-N 3.25Å; K705-F709 VanDerWaalsContact O-N 3.12Å
706T93.5Very high93.5Very high56 Ų5657.2 Ų57.234%0.34428%0.281SS..Hα-helixtrans-72.1-36.1176.452.50000111.1Q703 I708 F709 D710Q703-T706 VanDerWaalsContact CB-OG1 3.24Å; Q703-T706 WeakPolarHBondContact CB-OG1 3.42Å; Q703-T706 PolarHBondContact O-N 2.91Å; Q703-T706 PolarHBondContact O-OG1 3.02Å; T706-I708 PolarHBondContact O-N 3.24Å; T706-F709 WeakPolarHBondContact O-CB 3.39Å; T706-F709 PolarHBondContact O-N 3.37Å; T706-D710 PolarHBondContact O-N 3Å; T706-D710 VanDerWaalsContact O-N 3.08Å
707A96.3Very high93.2Very high0 Ų057.7 Ų57.70%029%0.289CS..Hα-helixtrans-58.9-45.3170.200000112A695 V699 Q703 R704 F709 D710 F711 T731A695-A707 WeakPolarHBondContact O-CB 3.47Å; V699-A707 HydrophobicContact CG2-CB 3.74Å; Q703-A707 PolarHBondContact O-N 3.09Å; R704-A707 PolarHBondContact O-N 2.95Å; A707-F709 VanDerWaalsContact C-N 3.28Å; A707-F709 PolarHBondContact O-N 3.42Å; A707-D710 PolarHBondContact O-N 3.46Å; A707-F711 HydrophobicContact CB-CE2 4.31Å; A707-F711 WeakPolarHBondContact O-CD2 3.35Å; A707-F711 PolarHBondContact O-N 2.87Å; A707-T731 HydrophobicContact CB-CG2 4.18Å
708I95.6Very high92.9Very high23 Ų2362 Ų6212%0.11831%0.309CS..Hα-helixtrans-60.5-38.6176.3-70.7161.3000111.4R704 K705 T706 S712 R728 T731 Y732 L735R704-I708 WeakPolarHBondContact O-CD1 3.38Å; R704-I708 VanDerWaalsContact O-CG1 3.3Å; R704-I708 WeakPolarHBondContact O-CG1 3.44Å; R704-I708 PolarHBondContact O-N 3.35Å; K705-I708 PolarHBondContact O-N 3.22Å; T706-I708 PolarHBondContact O-N 3.24Å; I708-S712 WeakPolarHBondContact O-CB 3.33Å; I708-S712 PolarHBondContact O-N 3.06Å; I708-S712 PolarHBondContact O-OG 3.44Å; I708-R728 HydrophobicContact CG1-CG 4.36Å; I708-R728 HydrophobicContact CG2-CG 4.25Å; I708-T731 VanDerWaalsContact CG1-OG1 3.32Å; I708-T731 WeakPolarHBondContact CG1-OG1 3.3Å; I708-Y732 HydrophobicContact CD1-CD1 3.82Å; I708-Y732 HydrophobicContact CD1-CE1 3.6Å; I708-Y732 HydrophobicContact CG1-CE1 4.21Å; I708-Y732 HydrophobicContact CG2-CE1 4.25Å; I708-L735 HydrophobicContact CD1-CD1 3.52Å
709F94.3Very high92.5Very high141 Ų14167.6 Ų67.662%0.61834%0.336SS*.Hα-helixtrans-61.4-49.4175.9-179.9-90.3000111.4K705 T706 A707 S712 A713K705-F709 PolarHBondContact O-N 3.25Å; K705-F709 VanDerWaalsContact O-N 3.12Å; T706-F709 WeakPolarHBondContact O-CB 3.39Å; T706-F709 PolarHBondContact O-N 3.37Å; A707-F709 VanDerWaalsContact C-N 3.28Å; A707-F709 PolarHBondContact O-N 3.42Å; F709-S712 PolarHBondContact O-N 3.08Å; F709-A713 PolarHBondContact O-N 3.48Å
710D94.3Very high92.4Very high4 Ų473.9 Ų73.92%0.02136%0.36CS..Hα-helixtrans-64-44.3179.3-78.1-8.1000112.1L691 R694 A695 Y698 T706 A707 S712 A713 I714L691-D710 HydrophobicContact CD2-CB 4.34Å; R694-D710 IonicContact CZ-OD1 3.38Å; R694-D710 IonicContact CZ-OD2 3.05Å; R694-D710 IonicContact NE-OD1 3.75Å; R694-D710 IonicContact NE-OD2 3.5Å; R694-D710 PolarHBondContact NE-OD2 3.25Å; R694-D710 VanDerWaalsContact NH2-CG 3.33Å; R694-D710 IonicContact NH2-OD1 3.83Å; R694-D710 PolarHBondContact NH2-OD1 3.31Å; R694-D710 IonicContact NH2-OD2 3Å; R694-D710 PolarHBondContact NH2-OD2 2.88Å; A695-D710 HydrophobicContact CB-CB 3.75Å; Y698-D710 WeakPolarHBondContact CE2-OD2 3.48Å; T706-D710 PolarHBondContact O-N 3Å; T706-D710 VanDerWaalsContact O-N 3.08Å; A707-D710 PolarHBondContact O-N 3.46Å; D710-S712 VanDerWaalsContact C-N 3.3Å; D710-S712 PolarHBondContact O-N 2.9Å; D710-A713 WeakPolarHBondContact O-CB 3.29Å; D710-A713 PolarHBondContact O-N 2.83Å; D710-I714 WeakPolarHBondContact O-CG1 3.38Å; D710-I714 PolarHBondContact O-N 2.83Å
711F94.9Very high92.4Very high3 Ų369.7 Ų69.71%0.01334%0.338CS..Hα-helixtrans-61.6-39.2173.5-70.3-52.3000112.1F692 A695 V699 A707 A713 I714 L715 A724 G727 R728 T731F692-F711 HydrophobicContact CD2-CD1 4.27Å; F692-F711 AromaticContact CD2-CE1 3.75Å; F692-F711 HydrophobicContact CD2-CE1 3.75Å; F692-F711 AromaticContact CE2-CE1 3.82Å; F692-F711 HydrophobicContact CE2-CE1 3.82Å; A695-F711 HydrophobicContact CB-CD1 3.72Å; A695-F711 HydrophobicContact CB-CD2 3.97Å; A695-F711 HydrophobicContact CB-CE1 3.45Å; A695-F711 VanDerWaalsContact CB-CE1 3.45Å; A695-F711 HydrophobicContact CB-CE2 3.73Å; A695-F711 HydrophobicContact CB-CG 3.96Å; A695-F711 HydrophobicContact CB-CZ 3.45Å; A695-F711 VanDerWaalsContact CB-CZ 3.45Å; V699-F711 HydrophobicContact CG2-CE2 4.21Å; A707-F711 HydrophobicContact CB-CE2 4.31Å; A707-F711 WeakPolarHBondContact O-CD2 3.35Å; A707-F711 PolarHBondContact O-N 2.87Å; F711-A713 VanDerWaalsContact C-N 3.32Å; F711-A713 PolarHBondContact O-N 3.18Å; F711-I714 PolarHBondContact O-N 2.98Å; F711-L715 VanDerWaalsContact O-CG 3.26Å; F711-L715 WeakPolarHBondContact O-CG 3.3Å; F711-L715 PolarHBondContact O-N 3.21Å; F711-L715 VanDerWaalsContact O-N 3.07Å; F711-A724 HydrophobicContact CD1-CB 4.3Å; F711-G727 VanDerWaalsContact CE2-C 3.42Å; F711-G727 WeakPolarHBondContact CE2-O 3.37Å; F711-R728 HydrophobicContact CB-CB 3.85Å; F711-R728 HydrophobicContact CB-CG 4.2Å; F711-R728 HydrophobicContact CD2-CB 4.21Å; F711-R728 HydrophobicContact CG-CB 4.23Å; F711-T731 HydrophobicContact CE2-CG2 3.99Å
712S94.2Very high92.4Very high26 Ų2669 Ų6918%0.18234%0.335CS..Hα-helixtrans-69.4-30.9177.9-59.60000112.4I708 F709 D710 L715 K716 R728I708-S712 WeakPolarHBondContact O-CB 3.33Å; I708-S712 PolarHBondContact O-N 3.06Å; I708-S712 PolarHBondContact O-OG 3.44Å; F709-S712 PolarHBondContact O-N 3.08Å; D710-S712 VanDerWaalsContact C-N 3.3Å; D710-S712 PolarHBondContact O-N 2.9Å; S712-L715 PolarHBondContact O-N 3.02Å; S712-K716 WeakPolarHBondContact O-CG 3.41Å; S712-K716 PolarHBondContact O-N 3.04Å; S712-R728 VanDerWaalsContact OG-CD 3.3Å; S712-R728 WeakPolarHBondContact OG-CD 3.4Å; S712-R728 PolarHBondContact OG-NH1 3.31Å
713A92.4Very high92.4Very high30 Ų3070.7 Ų70.725%0.24833%0.331CS..Hα-helixtrans-63.2-44.6173.300000111L691 F709 D710 F711 L715 K716L691-A713 HydrophobicContact CD1-CB 4.47Å; F709-A713 PolarHBondContact O-N 3.48Å; D710-A713 WeakPolarHBondContact O-CB 3.29Å; D710-A713 PolarHBondContact O-N 2.83Å; F711-A713 VanDerWaalsContact C-N 3.32Å; F711-A713 PolarHBondContact O-N 3.18Å; A713-L715 VanDerWaalsContact C-N 3.32Å; A713-L715 PolarHBondContact O-N 3.21Å; A713-K716 PolarHBondContact O-N 3.23Å
714I93.2Very high92.3Very high4 Ų466.3 Ų66.32%0.02131%0.31CS..Hα-helixtrans-59.1-45.6173.9-61.2166.9000110.8E688 L691 F692 D710 F711 K716 E717 H718 H721 A724E688-I714 HydrophobicContact CG-CG2 4.14Å; L691-I714 HydrophobicContact CB-CD1 3.82Å; L691-I714 HydrophobicContact CB-CG1 3.71Å; L691-I714 HydrophobicContact CD1-CG1 4.11Å; F692-I714 HydrophobicContact CB-CD1 3.85Å; F692-I714 HydrophobicContact CD2-CD1 4.41Å; D710-I714 WeakPolarHBondContact O-CG1 3.38Å; D710-I714 PolarHBondContact O-N 2.83Å; F711-I714 PolarHBondContact O-N 2.98Å; I714-K716 VanDerWaalsContact C-N 3.27Å; I714-K716 PolarHBondContact O-N 3.28Å; I714-E717 PolarHBondContact O-N 2.92Å; I714-H718 PolarHBondContact O-N 3.15Å; I714-H721 HydrophobicContact CG2-CB 4.19Å; I714-H721 WeakPolarHBondContact CG2-CD2 3.49Å; I714-A724 HydrophobicContact CB-CB 4.2Å; I714-A724 HydrophobicContact CD1-CB 4.32Å; I714-A724 HydrophobicContact CG2-CB 3.83Å
715L92.3Very high92.4Very high14 Ų1462.4 Ų62.47%0.07330%0.296CS..Hα-helixtrans-72.1-16.7-176.2-66.2169.9000114.2F711 S712 A713 Q719 H721 A724 L725F711-L715 VanDerWaalsContact O-CG 3.26Å; F711-L715 WeakPolarHBondContact O-CG 3.3Å; F711-L715 PolarHBondContact O-N 3.21Å; F711-L715 VanDerWaalsContact O-N 3.07Å; S712-L715 PolarHBondContact O-N 3.02Å; A713-L715 VanDerWaalsContact C-N 3.32Å; A713-L715 PolarHBondContact O-N 3.21Å; L715-Q719 WeakPolarHBondContact O-CA 3.5Å; L715-Q719 WeakPolarHBondContact O-CG 3.33Å; L715-Q719 PolarHBondContact O-N 3.03Å; L715-H721 HydrophobicContact CD2-CB 4.26Å; L715-A724 HydrophobicContact CD2-CB 3.97Å; L715-A724 HydrophobicContact CG-CB 4.11Å; L715-L725 HydrophobicContact CD1-CD2 3.76Å; L715-L725 HydrophobicContact CD1-CG 4.32Å; L715-L725 HydrophobicContact CD2-CD2 3.77Å; L715-L725 HydrophobicContact CD2-CG 3.64Å; L715-L725 HydrophobicContact CG-CD2 4.41Å
716K90.7Very high92.5Very high154 Ų15454 Ų5467%0.6726%0.259SS*.Hα-helixtrans-67.9-46.6171.5-78.9175.4179.7-175.70111.2S712 A713 I714S712-K716 WeakPolarHBondContact O-CG 3.41Å; S712-K716 PolarHBondContact O-N 3.04Å; A713-K716 PolarHBondContact O-N 3.23Å; I714-K716 VanDerWaalsContact C-N 3.27Å; I714-K716 PolarHBondContact O-N 3.28Å
717E86.6Confident92.4Very high135 Ų13551.9 Ų51.963%0.63125%0.249SC*.Hα-helixtrans-80.8-39.9178.8-58.9-52.513700111.8I714I714-E717 PolarHBondContact O-N 2.92Å
718H86.8Confident92.4Very high92 Ų9254 Ų5443%0.42626%0.257SS..  trans-124.675.3-174.5-60.4-39.7000111.6E688 I714 K720 H721E688-H718 IonicContact OE1-CD2 2.69Å; E688-H718 IonicContact OE2-CD2 2.79Å; E688-H718 PolarHBondContact OE2-CD2 2.83Å; E688-H718 IonicContact OE2-NE2 3.95Å; I714-H718 PolarHBondContact O-N 3.15Å; H718-K720 PolarHBondContact O-N 3.32Å; H718-H721 HydrophobicContact CB-CB 4.18Å; H718-H721 WeakPolarHBondContact O-CB 3.44Å; H718-H721 PolarHBondContact O-N 3.5Å
719Q88.7Confident92.4Very high155 Ų15552.9 Ų52.972%0.72425%0.251SS*.THydrogen-bonded Turntrans-56.2-25.6-177.9-66.4178.98.300114.4L715L715-Q719 WeakPolarHBondContact O-CA 3.5Å; L715-Q719 WeakPolarHBondContact O-CG 3.33Å; L715-Q719 PolarHBondContact O-N 3.03Å
720K89.6Confident92.4Very high165 Ų16547.3 Ų47.372%0.71723%0.227SC*.THydrogen-bonded Turntrans-95.911.7-178.6-62.9-177.7-178.5176.70113.8H718 V722 I751H718-K720 PolarHBondContact O-N 3.32Å; K720-V722 PolarHBondContact O-N 2.95Å; K720-V722 VanDerWaalsContact O-N 3.08Å; K720-I751 HydrophobicContact CB-CD1 4.03Å; K720-I751 HydrophobicContact CG-CD1 4.29Å
721H91.8Very high92.5Very high24 Ų2447.1 Ų47.111%0.11123%0.226CC..  trans-72.5102.7-179.7-169.8-27.5000111.6E688 I714 L715 H718 Q723 A724 L725E688-H721 IonicContact OE1-CD2 3.53Å; E688-H721 PolarHBondContact OE1-CD2 2.91Å; E688-H721 IonicContact OE1-CG 3.99Å; E688-H721 IonicContact OE1-NE2 3.81Å; E688-H721 PolarHBondContact OE1-NE2 3.25Å; I714-H721 HydrophobicContact CG2-CB 4.19Å; I714-H721 WeakPolarHBondContact CG2-CD2 3.49Å; L715-H721 HydrophobicContact CD2-CB 4.26Å; H718-H721 HydrophobicContact CB-CB 4.18Å; H718-H721 WeakPolarHBondContact O-CB 3.44Å; H718-H721 PolarHBondContact O-N 3.5Å; H721-Q723 PolarHBondContact ND1-N 3.08Å; H721-Q723 PolarHBondContact O-N 3.48Å; H721-A724 HydrophobicContact CB-CB 4.08Å; H721-A724 PolarHBondContact ND1-N 3.26Å; H721-A724 PolarHBondContact O-N 3.06Å; H721-L725 PolarHBondContact O-N 3.33Å; H721-L725 VanDerWaalsContact O-N 3.07Å
722V92.3Very high92.5Very high15 Ų1548.7 Ų48.79%0.09123%0.232CC..Hα-helixtrans-62-48.4-173.11800000112.8K720 A724 L725 C726 A748 I751 K752 T755 V756K720-V722 PolarHBondContact O-N 2.95Å; K720-V722 VanDerWaalsContact O-N 3.08Å; V722-A724 PolarHBondContact O-N 3.17Å; V722-L725 PolarHBondContact O-N 3.06Å; V722-C726 PolarHBondContact O-N 3.28Å; V722-C726 PolarHBondContact O-SG 3.5Å; V722-C726 VanDerWaalsContact O-SG 3.39Å; V722-A748 HydrophobicContact CG1-CB 4.31Å; V722-I751 HydrophobicContact CG2-CB 3.97Å; V722-I751 HydrophobicContact CG2-CG2 3.6Å; V722-K752 HydrophobicContact CG2-CB 4.12Å; V722-K752 HydrophobicContact CG2-CG 4.46Å; V722-T755 HydrophobicContact CG1-CG2 4.28Å; V722-V756 HydrophobicContact CG1-CG2 3.67Å
723Q91.3Very high92.5Very high82 Ų8248.3 Ų48.338%0.38323%0.228SC..Hα-helixtrans-67.4-34.7-178-59167.6-50.400112.7F692 H721 C726 G727F692-Q723 HydrophobicContact CE2-CB 3.69Å; F692-Q723 HydrophobicContact CZ-CB 3.73Å; H721-Q723 PolarHBondContact ND1-N 3.08Å; H721-Q723 PolarHBondContact O-N 3.48Å; Q723-C726 PolarHBondContact O-N 3.45Å; Q723-G727 PolarHBondContact O-N 3.09Å
724A93.3Very high92.4Very high0 Ų051.6 Ų51.60%024%0.239CC..Hα-helixtrans-67.2-40.2174.200000112F711 I714 L715 H721 V722 G727 R728F711-A724 HydrophobicContact CD1-CB 4.3Å; I714-A724 HydrophobicContact CB-CB 4.2Å; I714-A724 HydrophobicContact CD1-CB 4.32Å; I714-A724 HydrophobicContact CG2-CB 3.83Å; L715-A724 HydrophobicContact CD2-CB 3.97Å; L715-A724 HydrophobicContact CG-CB 4.11Å; H721-A724 HydrophobicContact CB-CB 4.08Å; H721-A724 PolarHBondContact ND1-N 3.26Å; H721-A724 PolarHBondContact O-N 3.06Å; V722-A724 PolarHBondContact O-N 3.17Å; A724-G727 PolarHBondContact O-N 3.44Å; A724-R728 WeakPolarHBondContact O-CB 3.48Å; A724-R728 PolarHBondContact O-N 3.3Å
725L95.4Very high92.5Very high9 Ų954 Ų545%0.04725%0.252CS..Hα-helixtrans-60.6-46.4171.3-72.8169.6000111.6L715 H721 V722 R728 G729 A747 A748 I751L715-L725 HydrophobicContact CD1-CD2 3.76Å; L715-L725 HydrophobicContact CD1-CG 4.32Å; L715-L725 HydrophobicContact CD2-CD2 3.77Å; L715-L725 HydrophobicContact CD2-CG 3.64Å; L715-L725 HydrophobicContact CG-CD2 4.41Å; H721-L725 PolarHBondContact O-N 3.33Å; H721-L725 VanDerWaalsContact O-N 3.07Å; V722-L725 PolarHBondContact O-N 3.06Å; L725-R728 PolarHBondContact O-N 3.48Å; L725-G729 PolarHBondContact O-N 3.48Å; L725-A747 HydrophobicContact CD1-CB 4.2Å; L725-A748 HydrophobicContact CB-CB 3.81Å; L725-A748 HydrophobicContact CD1-CB 4.1Å; L725-I751 HydrophobicContact CD1-CD1 3.87Å
726C94.3Very high92.5Very high1 Ų159.2 Ų59.21%0.00728%0.28CS..Hα-helixtrans-61.9-46.5175.4-69.40000111.9V722 Q723 R728 G729 F730V722-C726 PolarHBondContact O-N 3.28Å; V722-C726 PolarHBondContact O-SG 3.5Å; V722-C726 VanDerWaalsContact O-SG 3.39Å; Q723-C726 PolarHBondContact O-N 3.45Å; C726-R728 PolarHBondContact O-N 3.45Å; C726-G729 PolarHBondContact O-N 2.9Å; C726-F730 HydrophobicContact CB-CE2 4.04Å; C726-F730 HydrophobicContact CB-CZ 4.15Å; C726-F730 WeakPolarHBondContact O-CB 3.29Å; C726-F730 WeakPolarHBondContact O-CD1 3.22Å; C726-F730 VanDerWaalsContact O-CD2 3.3Å; C726-F730 WeakPolarHBondContact O-CD2 3.2Å; C726-F730 WeakPolarHBondContact O-CG 3.41Å; C726-F730 PolarHBondContact O-N 3.29Å
727G93.2Very high92.6Very high13 Ų1355.5 Ų55.513%0.13427%0.265CS..Hα-helixtrans-59.8-43.9178.500000112.2F711 Q723 A724 T731F711-G727 VanDerWaalsContact CE2-C 3.42Å; F711-G727 WeakPolarHBondContact CE2-O 3.37Å; Q723-G727 PolarHBondContact O-N 3.09Å; A724-G727 PolarHBondContact O-N 3.44Å; G727-T731 WeakPolarHBondContact O-CG2 3.37Å; G727-T731 PolarHBondContact O-N 2.93Å; G727-T731 PolarHBondContact O-OG1 2.84Å
728R96Very high93Very high43 Ų4352.2 Ų52.216%0.16225%0.25CC..Hα-helixtrans-67.4-45.3174.9-160.217367-175.3-2.8111.8I708 F711 S712 A724 L725 C726 F730 T731 Y732 D744I708-R728 HydrophobicContact CG1-CG 4.36Å; I708-R728 HydrophobicContact CG2-CG 4.25Å; F711-R728 HydrophobicContact CB-CB 3.85Å; F711-R728 HydrophobicContact CB-CG 4.2Å; F711-R728 HydrophobicContact CD2-CB 4.21Å; F711-R728 HydrophobicContact CG-CB 4.23Å; S712-R728 VanDerWaalsContact OG-CD 3.3Å; S712-R728 WeakPolarHBondContact OG-CD 3.4Å; S712-R728 PolarHBondContact OG-NH1 3.31Å; A724-R728 WeakPolarHBondContact O-CB 3.48Å; A724-R728 PolarHBondContact O-N 3.3Å; L725-R728 PolarHBondContact O-N 3.48Å; C726-R728 PolarHBondContact O-N 3.45Å; R728-F730 VanDerWaalsContact C-N 3.34Å; R728-F730 PolarHBondContact O-N 3.35Å; R728-T731 WeakPolarHBondContact CA-OG1 3.41Å; R728-T731 PolarHBondContact O-N 2.89Å; R728-T731 VanDerWaalsContact O-N 3.13Å; R728-T731 PolarHBondContact O-OG1 3.5Å; R728-Y732 HydrophobicContact CG-CD2 4.16Å; R728-Y732 HydrophobicContact CG-CE2 3.65Å; R728-Y732 WeakPolarHBondContact O-CD2 3.17Å; R728-Y732 PolarHBondContact O-N 3.46Å; R728-D744 IonicContact CZ-OD1 3.07Å; R728-D744 IonicContact CZ-OD2 3.62Å; R728-D744 IonicContact NE-OD1 3.38Å; R728-D744 IonicContact NE-OD2 2.8Å; R728-D744 PolarHBondContact NE-OD2 3.39Å; R728-D744 IonicContact NH2-OD1 3.45Å; R728-D744 PolarHBondContact NH2-OD1 2.73Å; R728-D744 IonicContact NH2-OD2 3.76Å; R728-D744 PolarHBondContact NH2-OD2 2.95Å
729G95Very high93.3Very high0 Ų056.2 Ų56.20%027%0.266CS..Hα-helixtrans-56-45.5174.500000112.8L725 C726 T731 Y732 L733 C741L725-G729 PolarHBondContact O-N 3.48Å; C726-G729 PolarHBondContact O-N 2.9Å; G729-T731 VanDerWaalsContact C-N 3.35Å; G729-T731 PolarHBondContact O-N 2.66Å; G729-Y732 WeakPolarHBondContact O-CB 3.02Å; G729-Y732 PolarHBondContact O-N 3.45Å; G729-L733 PolarHBondContact O-N 2.88Å; G729-C741 PolarHBondContact O-SG 3.45Å
730F94.8Very high93.6Very high24 Ų2452.8 Ų52.811%0.10525%0.25CC..Hα-helixtrans-69.9-29.8178-59.8-20.7000112.9C726 R728 L733 M734 I745 E759 I760 L763 I771C726-F730 HydrophobicContact CB-CE2 4.04Å; C726-F730 HydrophobicContact CB-CZ 4.15Å; C726-F730 WeakPolarHBondContact O-CB 3.29Å; C726-F730 WeakPolarHBondContact O-CD1 3.22Å; C726-F730 VanDerWaalsContact O-CD2 3.3Å; C726-F730 WeakPolarHBondContact O-CD2 3.2Å; C726-F730 WeakPolarHBondContact O-CG 3.41Å; C726-F730 PolarHBondContact O-N 3.29Å; R728-F730 VanDerWaalsContact C-N 3.34Å; R728-F730 PolarHBondContact O-N 3.35Å; F730-L733 WeakPolarHBondContact O-CB 3.47Å; F730-L733 PolarHBondContact O-N 3.46Å; F730-M734 WeakPolarHBondContact O-CG 3.34Å; F730-M734 PolarHBondContact O-N 2.9Å; F730-I745 HydrophobicContact CD1-CD1 3.9Å; F730-I745 HydrophobicContact CE1-CD1 3.52Å; F730-I745 HydrophobicContact CZ-CD1 4.33Å; F730-E759 HydrophobicContact CE2-CB 3.98Å; F730-E759 HydrophobicContact CZ-CB 3.98Å; F730-I760 HydrophobicContact CE1-CG1 4.21Å; F730-I760 HydrophobicContact CZ-CG1 4.16Å; F730-L763 HydrophobicContact CD1-CD1 3.9Å; F730-L763 HydrophobicContact CD2-CD2 3.87Å; F730-L763 HydrophobicContact CE1-CD1 3.7Å; F730-L763 HydrophobicContact CE1-CG 4.49Å; F730-L763 HydrophobicContact CE2-CD1 4.33Å; F730-L763 HydrophobicContact CE2-CD2 4.04Å; F730-L763 HydrophobicContact CE2-CG 4.27Å; F730-L763 HydrophobicContact CG-CD1 4.33Å; F730-L763 HydrophobicContact CG-CD2 4.1Å; F730-L763 HydrophobicContact CZ-CD1 3.92Å; F730-L763 HydrophobicContact CZ-CD2 4.46Å; F730-L763 HydrophobicContact CZ-CG 4.26Å; F730-I771 HydrophobicContact CD1-CD1 3.81Å; F730-I771 HydrophobicContact CE1-CD1 3.6Å
731T95.1Very high93.9Very high1 Ų144.9 Ų44.91%0.00622%0.216CC..Hα-helixtrans-70.2-36.8171.151.90000112.2V699 A707 I708 F711 G727 R728 G729 M734 L735V699-T731 HydrophobicContact CB-CG2 4.38Å; V699-T731 HydrophobicContact CG1-CG2 4.29Å; V699-T731 HydrophobicContact CG2-CG2 3.23Å; A707-T731 HydrophobicContact CB-CG2 4.18Å; I708-T731 VanDerWaalsContact CG1-OG1 3.32Å; I708-T731 WeakPolarHBondContact CG1-OG1 3.3Å; F711-T731 HydrophobicContact CE2-CG2 3.99Å; G727-T731 WeakPolarHBondContact O-CG2 3.37Å; G727-T731 PolarHBondContact O-N 2.93Å; G727-T731 PolarHBondContact O-OG1 2.84Å; R728-T731 WeakPolarHBondContact CA-OG1 3.41Å; R728-T731 PolarHBondContact O-N 2.89Å; R728-T731 VanDerWaalsContact O-N 3.13Å; R728-T731 PolarHBondContact O-OG1 3.5Å; G729-T731 VanDerWaalsContact C-N 3.35Å; G729-T731 PolarHBondContact O-N 2.66Å; T731-M734 PolarHBondContact O-N 2.96Å; T731-L735 PolarHBondContact O-N 3.08Å; T731-L735 VanDerWaalsContact O-N 3.09Å
732Y95.8Very high94Very high36 Ų3644 Ų4414%0.14121%0.211CC..Hα-helixtrans-63.9-39.4169.5-70.7-46.2000112.6I708 R728 G729 M734 L735 N736 Q737 E740 D744I708-Y732 HydrophobicContact CD1-CD1 3.82Å; I708-Y732 HydrophobicContact CD1-CE1 3.6Å; I708-Y732 HydrophobicContact CG1-CE1 4.21Å; I708-Y732 HydrophobicContact CG2-CE1 4.25Å; R728-Y732 HydrophobicContact CG-CD2 4.16Å; R728-Y732 HydrophobicContact CG-CE2 3.65Å; R728-Y732 WeakPolarHBondContact O-CD2 3.17Å; R728-Y732 PolarHBondContact O-N 3.46Å; G729-Y732 WeakPolarHBondContact O-CB 3.02Å; G729-Y732 PolarHBondContact O-N 3.45Å; Y732-M734 VanDerWaalsContact C-N 3.3Å; Y732-M734 PolarHBondContact O-N 3.12Å; Y732-L735 CarbonylContact O-C 3.6Å; Y732-L735 WeakPolarHBondContact O-CA 3.37Å; Y732-L735 PolarHBondContact O-N 3.35Å; Y732-N736 PolarHBondContact O-N 3.47Å; Y732-Q737 HydrophobicContact CD1-CB 4.19Å; Y732-Q737 VanDerWaalsContact CE1-OE1 3.24Å; Y732-Q737 PolarHBondContact O-N 2.89Å; Y732-E740 HydrophobicContact CD1-CB 4.13Å; Y732-E740 HydrophobicContact CD2-CB 3.62Å; Y732-E740 HydrophobicContact CE1-CB 4.23Å; Y732-E740 HydrophobicContact CE2-CB 3.72Å; Y732-E740 HydrophobicContact CG-CB 3.83Å; Y732-D744 WeakPolarHBondContact CE2-OD2 3.3Å
733L93.6Very high94.1Very high18 Ų1849.3 Ų49.39%0.09424%0.235CC..Hα-helixtrans-55.1-46.4171-179.671.3000111.2G729 F730 L735 N736 L763 A767 L770 I771 W774G729-L733 PolarHBondContact O-N 2.88Å; F730-L733 WeakPolarHBondContact O-CB 3.47Å; F730-L733 PolarHBondContact O-N 3.46Å; L733-L735 VanDerWaalsContact C-N 3.27Å; L733-L735 PolarHBondContact O-N 3.49Å; L733-N736 PolarHBondContact O-N 3.29Å; L733-N736 VanDerWaalsContact O-N 3.1Å; L733-L763 HydrophobicContact CD2-CD1 4.41Å; L733-A767 HydrophobicContact CD2-CB 3.93Å; L733-L770 HydrophobicContact CD1-CB 4.49Å; L733-L770 HydrophobicContact CD1-CD2 3.64Å; L733-I771 HydrophobicContact CD1-CB 4.21Å; L733-I771 HydrophobicContact CD2-CB 4.2Å; L733-I771 HydrophobicContact CD2-CD1 4.47Å; L733-W774 HydrophobicContact CB-CZ3 4.36Å; L733-W774 HydrophobicContact CD1-CD2 4.47Å; L733-W774 HydrophobicContact CD1-CE3 3.72Å; L733-W774 HydrophobicContact CD1-CH2 3.8Å; L733-W774 HydrophobicContact CD1-CZ3 3.34Å; L733-W774 HydrophobicContact CG-CZ3 4.42Å
734M92Very high94.3Very high98 Ų9845.7 Ų45.748%0.48322%0.218SC..Hα-helixtrans-65-28.4176.4-69.3-168175.100113.4V699 R704 F730 T731 Y732 N736V699-M734 HydrophobicContact CG1-CE 4.03Å; V699-M734 HydrophobicContact CG1-SD 3.88Å; R704-M734 PolarHBondContact NH1-O 2.7Å; F730-M734 WeakPolarHBondContact O-CG 3.34Å; F730-M734 PolarHBondContact O-N 2.9Å; T731-M734 PolarHBondContact O-N 2.96Å; Y732-M734 VanDerWaalsContact C-N 3.3Å; Y732-M734 PolarHBondContact O-N 3.12Å; M734-N736 VanDerWaalsContact C-N 3.31Å
735L93.3Very high94.4Very high55 Ų5545.7 Ų45.729%0.28822%0.218SC..THydrogen-bonded Turntrans-85.21.4174.7-69.6176.4000113.8R704 I708 T731 Y732 L733 Q737R704-L735 HydrophobicContact CB-CD1 4.17Å; R704-L735 HydrophobicContact CB-CD2 3.95Å; R704-L735 HydrophobicContact CB-CG 4.05Å; R704-L735 HydrophobicContact CG-CD2 4.39Å; I708-L735 HydrophobicContact CD1-CD1 3.52Å; T731-L735 PolarHBondContact O-N 3.08Å; T731-L735 VanDerWaalsContact O-N 3.09Å; Y732-L735 CarbonylContact O-C 3.6Å; Y732-L735 WeakPolarHBondContact O-CA 3.37Å; Y732-L735 PolarHBondContact O-N 3.35Å; L733-L735 VanDerWaalsContact C-N 3.27Å; L733-L735 PolarHBondContact O-N 3.49Å; L735-Q737 HydrophobicContact CB-CG 4.17Å; L735-Q737 PolarHBondContact O-N 2.85Å
736N92.9Very high94.3Very high123 Ų12345.9 Ų45.966%0.65822%0.219SC*.THydrogen-bonded Turntrans59.629.9-174.6-157.844.6000114Y732 L733 M734 Q738 W774Y732-N736 PolarHBondContact O-N 3.47Å; L733-N736 PolarHBondContact O-N 3.29Å; L733-N736 VanDerWaalsContact O-N 3.1Å; M734-N736 VanDerWaalsContact C-N 3.31Å; N736-Q738 PolarHBondContact O-N 3.15Å; N736-W774 WeakPolarHBondContact OD1-CZ2 3.39Å
737Q93.9Very high94.3Very high76 Ų7647.1 Ų47.136%0.35523%0.23SC..  trans-94.785.1178.3-73.6-176.1-600110.1Y732 L735 K739 C741Y732-Q737 HydrophobicContact CD1-CB 4.19Å; Y732-Q737 VanDerWaalsContact CE1-OE1 3.24Å; Y732-Q737 PolarHBondContact O-N 2.89Å; L735-Q737 HydrophobicContact CB-CG 4.17Å; L735-Q737 PolarHBondContact O-N 2.85Å; Q737-K739 PolarHBondContact O-N 3.45Å; Q737-C741 WeakPolarHBondContact O-CB 3.43Å; Q737-C741 PolarHBondContact O-N 3.11Å; Q737-C741 VanDerWaalsContact O-N 3.13Å
738Q94.1Very high94.4Very high66 Ų6646.5 Ų46.531%0.30822%0.223SC..Hα-helixtrans-62.8-43-171.1179.3175.17.700113.5N736 V742 W774N736-Q738 PolarHBondContact O-N 3.15Å; Q738-V742 HydrophobicContact CG-CG2 4.46Å; Q738-V742 WeakPolarHBondContact O-CB 3.31Å; Q738-V742 VanDerWaalsContact O-CG2 3.3Å; Q738-V742 WeakPolarHBondContact O-CG2 3.34Å; Q738-V742 PolarHBondContact O-N 2.93Å; Q738-W774 HydrophobicContact CB-CD2 4.03Å; Q738-W774 HydrophobicContact CB-CE3 4.13Å; Q738-W774 HydrophobicContact CB-CH2 4.16Å; Q738-W774 HydrophobicContact CB-CZ2 4.03Å; Q738-W774 HydrophobicContact CB-CZ3 4.19Å; Q738-W774 HydrophobicContact CG-CB 4.21Å; Q738-W774 HydrophobicContact CG-CD2 3.63Å; Q738-W774 HydrophobicContact CG-CE3 4Å; Q738-W774 HydrophobicContact CG-CG 3.75Å; Q738-W774 HydrophobicContact CG-CZ2 4.46Å
739K93Very high94.2Very high177 Ų17744.6 Ų44.677%0.7722%0.217SC*.Hα-helixtrans-67.6-47.6-172.6-66.3-178179.11800111.3Q737 V742 H743Q737-K739 PolarHBondContact O-N 3.45Å; K739-V742 PolarHBondContact O-N 3Å; K739-H743 WeakPolarHBondContact O-CB 3.23Å; K739-H743 PolarHBondContact O-N 3.43Å
740E94.4Very high94.1Very high82 Ų8248.4 Ų48.438%0.38323%0.234SC..Hα-helixtrans-67.3-42.3-179.8-6183.4170.500111.1Y732 H743 D744Y732-E740 HydrophobicContact CD1-CB 4.13Å; Y732-E740 HydrophobicContact CD2-CB 3.62Å; Y732-E740 HydrophobicContact CE1-CB 4.23Å; Y732-E740 HydrophobicContact CE2-CB 3.72Å; Y732-E740 HydrophobicContact CG-CB 3.83Å; E740-H743 PolarHBondContact O-N 3.34Å; E740-D744 PolarHBondContact O-N 3.09Å; E740-D744 VanDerWaalsContact O-N 3.07Å
741C96.4Very high93.9Very high0 Ų050.6 Ų50.60%025%0.246CC..Hα-helixtrans-58.4-51.1174.4177.10000111.8G729 Q737 H743 D744 I745 W774G729-C741 PolarHBondContact O-SG 3.45Å; Q737-C741 WeakPolarHBondContact O-CB 3.43Å; Q737-C741 PolarHBondContact O-N 3.11Å; Q737-C741 VanDerWaalsContact O-N 3.13Å; C741-H743 VanDerWaalsContact C-N 3.32Å; C741-H743 PolarHBondContact O-N 3Å; C741-D744 PolarHBondContact O-N 2.93Å; C741-I745 WeakPolarHBondContact O-CB 3.38Å; C741-I745 WeakPolarHBondContact O-CG1 3.44Å; C741-I745 PolarHBondContact O-N 3.41Å; C741-I745 VanDerWaalsContact O-N 3.1Å; C741-W774 HydrophobicContact CB-CE3 4.21Å; C741-W774 HydrophobicContact CB-CZ3 3.92Å
742V94.6Very high93.8Very high4 Ų456.8 Ų56.82%0.02427%0.273CS..Hα-helixtrans-63.9-40.9-178.2167.80000110.9Q738 K739 I745 L746 W774 L775 F778Q738-V742 HydrophobicContact CG-CG2 4.46Å; Q738-V742 WeakPolarHBondContact O-CB 3.31Å; Q738-V742 VanDerWaalsContact O-CG2 3.3Å; Q738-V742 WeakPolarHBondContact O-CG2 3.34Å; Q738-V742 PolarHBondContact O-N 2.93Å; K739-V742 PolarHBondContact O-N 3Å; V742-I745 PolarHBondContact O-N 3.06Å; V742-L746 WeakPolarHBondContact O-CB 3.23Å; V742-L746 PolarHBondContact O-N 3.25Å; V742-W774 HydrophobicContact CG2-CB 3.91Å; V742-L775 HydrophobicContact CG1-CD2 4.26Å; V742-F778 HydrophobicContact CG1-CB 3.78Å; V742-F778 HydrophobicContact CG1-CD1 3.71Å; V742-F778 HydrophobicContact CG1-CD2 3.87Å; V742-F778 HydrophobicContact CG1-CE1 4.26Å; V742-F778 HydrophobicContact CG1-CE2 4.38Å; V742-F778 HydrophobicContact CG1-CG 3.5Å; V742-F778 VanDerWaalsContact CG1-CG 3.5Å
743H94.2Very high93.5Very high127 Ų12756.2 Ų56.259%0.58828%0.276SS*.Hα-helixtrans-60.3-50178.7-174.872.2000112.4K739 E740 C741 I745 L746 A747K739-H743 WeakPolarHBondContact O-CB 3.23Å; K739-H743 PolarHBondContact O-N 3.43Å; E740-H743 PolarHBondContact O-N 3.34Å; C741-H743 VanDerWaalsContact C-N 3.32Å; C741-H743 PolarHBondContact O-N 3Å; H743-I745 PolarHBondContact O-N 3.09Å; H743-L746 PolarHBondContact O-N 3.43Å; H743-A747 PolarHBondContact O-N 3.36Å
744D95.1Very high93.4Very high6 Ų660.2 Ų60.23%0.03230%0.298CS..Hα-helixtrans-64.4-41.2-180-80.3-9.7000112.4R728 Y732 E740 C741 A747 A748R728-D744 IonicContact CZ-OD1 3.07Å; R728-D744 IonicContact CZ-OD2 3.62Å; R728-D744 IonicContact NE-OD1 3.38Å; R728-D744 IonicContact NE-OD2 2.8Å; R728-D744 PolarHBondContact NE-OD2 3.39Å; R728-D744 IonicContact NH2-OD1 3.45Å; R728-D744 PolarHBondContact NH2-OD1 2.73Å; R728-D744 IonicContact NH2-OD2 3.76Å; R728-D744 PolarHBondContact NH2-OD2 2.95Å; Y732-D744 WeakPolarHBondContact CE2-OD2 3.3Å; E740-D744 PolarHBondContact O-N 3.09Å; E740-D744 VanDerWaalsContact O-N 3.07Å; C741-D744 PolarHBondContact O-N 2.93Å; D744-A747 PolarHBondContact O-N 3Å; D744-A748 WeakPolarHBondContact O-CB 3.39Å; D744-A748 PolarHBondContact O-N 3.27Å
745I95Very high93.4Very high0 Ų057.8 Ų57.80%029%0.288CS..Hα-helixtrans-70.4-38.2-179.4-63.3-72.6000110.9F730 C741 V742 H743 A748 L749 V756 I760 I771 L775F730-I745 HydrophobicContact CD1-CD1 3.9Å; F730-I745 HydrophobicContact CE1-CD1 3.52Å; F730-I745 HydrophobicContact CZ-CD1 4.33Å; C741-I745 WeakPolarHBondContact O-CB 3.38Å; C741-I745 WeakPolarHBondContact O-CG1 3.44Å; C741-I745 PolarHBondContact O-N 3.41Å; C741-I745 VanDerWaalsContact O-N 3.1Å; V742-I745 PolarHBondContact O-N 3.06Å; H743-I745 PolarHBondContact O-N 3.09Å; I745-A748 PolarHBondContact O-N 3.08Å; I745-L749 HydrophobicContact CG2-CD1 4.14Å; I745-L749 HydrophobicContact CG2-CG 4.42Å; I745-L749 WeakPolarHBondContact O-CB 3.48Å; I745-L749 VanDerWaalsContact O-CG 3.26Å; I745-L749 WeakPolarHBondContact O-CG 3.48Å; I745-L749 PolarHBondContact O-N 2.95Å; I745-V756 HydrophobicContact CG2-CG1 4.28Å; I745-I760 HydrophobicContact CG2-CD1 4.44Å; I745-I771 HydrophobicContact CD1-CD1 3.99Å; I745-I771 HydrophobicContact CG1-CD1 3.9Å; I745-I771 HydrophobicContact CG2-CD1 4.5Å; I745-L775 HydrophobicContact CG2-CD1 4.09Å; I745-L775 HydrophobicContact CG2-CD2 4.1Å
746L93.9Very high93.4Very high13 Ų1355.1 Ų55.17%0.06827%0.274CS..Hα-helixtrans-63.4-44.7173.6176.1143000111.3V742 H743 A748 L749 Q750 F778 E801 I805V742-L746 WeakPolarHBondContact O-CB 3.23Å; V742-L746 PolarHBondContact O-N 3.25Å; H743-L746 PolarHBondContact O-N 3.43Å; L746-A748 VanDerWaalsContact C-N 3.3Å; L746-A748 PolarHBondContact O-N 2.91Å; L746-L749 PolarHBondContact O-N 3.43Å; L746-Q750 WeakPolarHBondContact O-CG 3.38Å; L746-Q750 PolarHBondContact O-N 3.39Å; L746-F778 HydrophobicContact CD1-CD1 4.49Å; L746-F778 HydrophobicContact CD1-CE1 3.78Å; L746-E801 HydrophobicContact CD1-CB 4.11Å; L746-E801 HydrophobicContact CD1-CG 4.12Å; L746-I805 HydrophobicContact CD1-CD1 3.79Å; L746-I805 HydrophobicContact CD1-CG1 4.41Å
747A93.9Very high93.4Very high27 Ų2749.8 Ų49.822%0.22325%0.246CC..Hα-helixtrans-58.9-42.5174.500000111.5L725 H743 D744 Q750 I751L725-A747 HydrophobicContact CD1-CB 4.2Å; H743-A747 PolarHBondContact O-N 3.36Å; D744-A747 PolarHBondContact O-N 3Å; A747-Q750 PolarHBondContact O-N 3.35Å; A747-I751 WeakPolarHBondContact O-CD1 3.4Å; A747-I751 WeakPolarHBondContact O-CG1 3.26Å
748A94.6Very high93.3Very high0 Ų053.4 Ų53.40%026%0.261CS..Hα-helixtrans-64-42.3176.500000112.4V722 L725 D744 I745 L746 Q750 I751 K752 V756V722-A748 HydrophobicContact CG1-CB 4.31Å; L725-A748 HydrophobicContact CB-CB 3.81Å; L725-A748 HydrophobicContact CD1-CB 4.1Å; D744-A748 WeakPolarHBondContact O-CB 3.39Å; D744-A748 PolarHBondContact O-N 3.27Å; I745-A748 PolarHBondContact O-N 3.08Å; L746-A748 VanDerWaalsContact C-N 3.3Å; L746-A748 PolarHBondContact O-N 2.91Å; A748-Q750 VanDerWaalsContact C-N 3.33Å; A748-Q750 PolarHBondContact O-N 3.3Å; A748-I751 PolarHBondContact O-N 3.28Å; A748-I751 VanDerWaalsContact O-N 3.15Å; A748-K752 PolarHBondContact O-N 2.73Å; A748-K752 VanDerWaalsContact O-N 3.1Å; A748-V756 HydrophobicContact CB-CG2 3.59Å
749L93.5Very high93.2Very high4 Ų453 Ų532%0.02126%0.259CS..Hα-helixtrans-64.3-36.3179.4-77.5171.2000112.5I745 L746 I751 A753 V756 V804 A808I745-L749 HydrophobicContact CG2-CD1 4.14Å; I745-L749 HydrophobicContact CG2-CG 4.42Å; I745-L749 WeakPolarHBondContact O-CB 3.48Å; I745-L749 VanDerWaalsContact O-CG 3.26Å; I745-L749 WeakPolarHBondContact O-CG 3.48Å; I745-L749 PolarHBondContact O-N 2.95Å; L746-L749 PolarHBondContact O-N 3.43Å; L749-I751 PolarHBondContact O-N 2.68Å; L749-A753 HydrophobicContact CD2-CB 4.2Å; L749-A753 PolarHBondContact O-N 3.15Å; L749-V756 HydrophobicContact CD2-CB 3.71Å; L749-V756 HydrophobicContact CD2-CG1 3.64Å; L749-V756 HydrophobicContact CD2-CG2 4.3Å; L749-V756 HydrophobicContact CG-CB 4.28Å; L749-V756 HydrophobicContact CG-CG1 3.88Å; L749-V804 HydrophobicContact CB-CG1 3.52Å; L749-A808 HydrophobicContact CD1-CB 4.03Å; L749-A808 HydrophobicContact CD2-CB 3.58Å; L749-A808 HydrophobicContact CG-CB 4.48Å
750Q91.2Very high93.2Very high80 Ų8044.7 Ų44.737%0.37422%0.222SC..Hα-helixtrans-65.8-22.6175.9-72.3178-3.100113L746 A747 A748L746-Q750 WeakPolarHBondContact O-CG 3.38Å; L746-Q750 PolarHBondContact O-N 3.39Å; A747-Q750 PolarHBondContact O-N 3.35Å; A748-Q750 VanDerWaalsContact C-N 3.33Å; A748-Q750 PolarHBondContact O-N 3.3Å
751I92.3Very high93.1Very high69 Ų6944.3 Ų44.335%0.35422%0.223SC..Hα-helixtrans-90.2-60-179.8-60.5160.4000111.3K720 V722 L725 A747 A748 L749K720-I751 HydrophobicContact CB-CD1 4.03Å; K720-I751 HydrophobicContact CG-CD1 4.29Å; V722-I751 HydrophobicContact CG2-CB 3.97Å; V722-I751 HydrophobicContact CG2-CG2 3.6Å; L725-I751 HydrophobicContact CD1-CD1 3.87Å; A747-I751 WeakPolarHBondContact O-CD1 3.4Å; A747-I751 WeakPolarHBondContact O-CG1 3.26Å; A748-I751 PolarHBondContact O-N 3.28Å; A748-I751 VanDerWaalsContact O-N 3.15Å; L749-I751 PolarHBondContact O-N 2.68Å
752K92.6Very high92.8Very high131 Ų13148.4 Ų48.457%0.5725%0.252SS*.Hα-helixtrans-144.786.7179.9-73.7-178.3179.8176.80111.5V722 A748 D754 T755 V756V722-K752 HydrophobicContact CG2-CB 4.12Å; V722-K752 HydrophobicContact CG2-CG 4.46Å; A748-K752 PolarHBondContact O-N 2.73Å; A748-K752 VanDerWaalsContact O-N 3.1Å; K752-D754 VanDerWaalsContact C-N 3.31Å; K752-D754 PolarHBondContact O-N 3.07Å; K752-T755 PolarHBondContact O-N 3.01Å; K752-V756 WeakPolarHBondContact O-CG2 3.43Å; K752-V756 PolarHBondContact O-N 3.46Å
753A90Very high92.6Very high24 Ų2449.8 Ų49.820%0.19826%0.258CS..Hα-helixtrans-59.4-36.1-176.400000114.1L749 T755 V756 V757L749-A753 HydrophobicContact CD2-CB 4.2Å; L749-A753 PolarHBondContact O-N 3.15Å; A753-T755 VanDerWaalsContact C-N 3.33Å; A753-T755 PolarHBondContact O-N 3.46Å; A753-V756 PolarHBondContact O-N 3.48Å; A753-V757 VanDerWaalsContact O-CG2 3.31Å; A753-V757 WeakPolarHBondContact O-CG2 3.46Å; A753-V757 PolarHBondContact O-N 3.4Å
754D90.7Very high92.4Very high103 Ų10352.3 Ų52.355%0.55127%0.268SS*.Hα-helixtrans-63-38.5-179.4-62.9-3.7000112.9K752 K758 R811K752-D754 VanDerWaalsContact C-N 3.31Å; K752-D754 PolarHBondContact O-N 3.07Å; D754-K758 WeakPolarHBondContact O-CG 3.4Å; D754-K758 PolarHBondContact O-N 3.47Å; D754-R811 IonicContact OD1-CZ 2.73Å; D754-R811 IonicContact OD1-NH1 2.68Å; D754-R811 PolarHBondContact OD1-NH1 3.49Å
755T92.1Very high92.1Very high46 Ų4656.7 Ų56.728%0.28229%0.291SS..Hα-helixtrans-70.1-44.9179-51.60000109.8V722 K752 A753 V757 K758 E759V722-T755 HydrophobicContact CG1-CG2 4.28Å; K752-T755 PolarHBondContact O-N 3.01Å; A753-T755 VanDerWaalsContact C-N 3.33Å; A753-T755 PolarHBondContact O-N 3.46Å; T755-V757 PolarHBondContact O-N 2.91Å; T755-K758 WeakPolarHBondContact O-CB 3.19Å; T755-K758 PolarHBondContact O-N 3.48Å; T755-E759 WeakPolarHBondContact O-CG 3.14Å; T755-E759 PolarHBondContact O-N 3.42Å
756V93.5Very high91.8Very high0 Ų065.5 Ų65.50%033%0.329CS..Hα-helixtrans-63-40.7178.3-177.50000111.9V722 I745 A748 L749 K752 A753 K758 E759 I760V722-V756 HydrophobicContact CG1-CG2 3.67Å; I745-V756 HydrophobicContact CG2-CG1 4.28Å; A748-V756 HydrophobicContact CB-CG2 3.59Å; L749-V756 HydrophobicContact CD2-CB 3.71Å; L749-V756 HydrophobicContact CD2-CG1 3.64Å; L749-V756 HydrophobicContact CD2-CG2 4.3Å; L749-V756 HydrophobicContact CG-CB 4.28Å; L749-V756 HydrophobicContact CG-CG1 3.88Å; K752-V756 WeakPolarHBondContact O-CG2 3.43Å; K752-V756 PolarHBondContact O-N 3.46Å; A753-V756 PolarHBondContact O-N 3.48Å; V756-K758 VanDerWaalsContact C-N 3.33Å; V756-K758 PolarHBondContact O-N 2.8Å; V756-E759 PolarHBondContact O-N 3.42Å; V756-I760 HydrophobicContact CG1-CD1 3.85Å; V756-I760 HydrophobicContact CG1-CG1 4.26Å; V756-I760 WeakPolarHBondContact O-CG1 3.38Å; V756-I760 PolarHBondContact O-N 2.73Å
757V91.9Very high91.7Very high11 Ų1166.3 Ų66.37%0.06734%0.338CS..Hα-helixtrans-61-43.61761690000110.8A753 T755 E759 I760 L761 A808 R811 T812A753-V757 VanDerWaalsContact O-CG2 3.31Å; A753-V757 WeakPolarHBondContact O-CG2 3.46Å; A753-V757 PolarHBondContact O-N 3.4Å; T755-V757 PolarHBondContact O-N 2.91Å; V757-E759 VanDerWaalsContact C-N 3.33Å; V757-E759 PolarHBondContact O-N 3.09Å; V757-I760 PolarHBondContact O-N 3.15Å; V757-L761 HydrophobicContact CG1-CD1 3.99Å; V757-L761 HydrophobicContact CG1-CG 4.46Å; V757-L761 WeakPolarHBondContact O-CB 3.47Å; V757-L761 VanDerWaalsContact O-CG 3.25Å; V757-L761 WeakPolarHBondContact O-CG 3.4Å; V757-L761 PolarHBondContact O-N 3.1Å; V757-A808 HydrophobicContact CG2-CB 4.11Å; V757-R811 HydrophobicContact CG1-CB 4.08Å; V757-R811 HydrophobicContact CG2-CB 4.39Å; V757-T812 HydrophobicContact CG1-CG2 3.97Å; V757-T812 HydrophobicContact CG2-CG2 4.36Å
758K92.9Very high91.6Very high152 Ų15268.1 Ų68.166%0.66134%0.34SS*.Hα-helixtrans-60.3-41.9174.3-71.5174.6-179.1-178.10112.1D754 T755 V756 L761 S762D754-K758 WeakPolarHBondContact O-CG 3.4Å; D754-K758 PolarHBondContact O-N 3.47Å; T755-K758 WeakPolarHBondContact O-CB 3.19Å; T755-K758 PolarHBondContact O-N 3.48Å; V756-K758 VanDerWaalsContact C-N 3.33Å; V756-K758 PolarHBondContact O-N 2.8Å; K758-L761 PolarHBondContact O-N 2.82Å; K758-S762 PolarHBondContact O-N 3.45Å; K758-S762 VanDerWaalsContact O-N 3.11Å
759E91.4Very high91.4Very high57 Ų5774.9 Ų74.927%0.26637%0.369SS..Hα-helixtrans-66-40.2176.1-68.4-62160.500112.5F730 T755 V756 V757 L761 S762F730-E759 HydrophobicContact CE2-CB 3.98Å; F730-E759 HydrophobicContact CZ-CB 3.98Å; T755-E759 WeakPolarHBondContact O-CG 3.14Å; T755-E759 PolarHBondContact O-N 3.42Å; V756-E759 PolarHBondContact O-N 3.42Å; V757-E759 VanDerWaalsContact C-N 3.33Å; V757-E759 PolarHBondContact O-N 3.09Å; E759-L761 VanDerWaalsContact C-N 3.3Å; E759-L761 PolarHBondContact O-N 2.99Å; E759-S762 PolarHBondContact O-N 2.95Å; E759-S762 PolarHBondContact O-OG 3.44Å
760I92.6Very high91.4Very high2 Ų278 Ų781%0.0139%0.385CS..Hα-helixtrans-65.1-37.3175-69.5169.3000110.8F730 I745 V756 V757 S762 L763 R768 I771 T812F730-I760 HydrophobicContact CE1-CG1 4.21Å; F730-I760 HydrophobicContact CZ-CG1 4.16Å; I745-I760 HydrophobicContact CG2-CD1 4.44Å; V756-I760 HydrophobicContact CG1-CD1 3.85Å; V756-I760 HydrophobicContact CG1-CG1 4.26Å; V756-I760 WeakPolarHBondContact O-CG1 3.38Å; V756-I760 PolarHBondContact O-N 2.73Å; V757-I760 PolarHBondContact O-N 3.15Å; I760-S762 VanDerWaalsContact C-N 3.3Å; I760-S762 PolarHBondContact O-N 3.38Å; I760-L763 WeakPolarHBondContact O-CB 3.49Å; I760-L763 PolarHBondContact O-N 2.8Å; I760-R768 HydrophobicContact CG2-CG 3.95Å; I760-I771 HydrophobicContact CG2-CG2 4.11Å; I760-T812 HydrophobicContact CB-CG2 4.22Å; I760-T812 HydrophobicContact CG2-CG2 3.8Å
761L91.8Very high91.6Very high74 Ų7474.2 Ų74.239%0.38737%0.368SS..Hα-helixtrans-67.9-27.8177.1-73.2170.7000112.9V757 K758 E759 L763V757-L761 HydrophobicContact CG1-CD1 3.99Å; V757-L761 HydrophobicContact CG1-CG 4.46Å; V757-L761 WeakPolarHBondContact O-CB 3.47Å; V757-L761 VanDerWaalsContact O-CG 3.25Å; V757-L761 WeakPolarHBondContact O-CG 3.4Å; V757-L761 PolarHBondContact O-N 3.1Å; K758-L761 PolarHBondContact O-N 2.82Å; E759-L761 VanDerWaalsContact C-N 3.3Å; E759-L761 PolarHBondContact O-N 2.99Å; L761-L763 VanDerWaalsContact C-N 3.26Å; L761-L763 PolarHBondContact O-N 3.5Å
762S91.3Very high91.6Very high87 Ų8771.2 Ų71.261%0.60835%0.353SS*.Hα-helixtrans-74.3-15.7177.5820000113.3K758 E759 I760K758-S762 PolarHBondContact O-N 3.45Å; K758-S762 VanDerWaalsContact O-N 3.11Å; E759-S762 PolarHBondContact O-N 2.95Å; E759-S762 PolarHBondContact O-OG 3.44Å; I760-S762 VanDerWaalsContact C-N 3.3Å; I760-S762 PolarHBondContact O-N 3.38Å
763L90.2Very high91.6Very high32 Ų3268 Ų6817%0.16834%0.342CS..SBendtrans-69.6153.2176.3-63.6176.6000112.4F730 L733 I760 L761 A767 R768 I771F730-L763 HydrophobicContact CD1-CD1 3.9Å; F730-L763 HydrophobicContact CD2-CD2 3.87Å; F730-L763 HydrophobicContact CE1-CD1 3.7Å; F730-L763 HydrophobicContact CE1-CG 4.49Å; F730-L763 HydrophobicContact CE2-CD1 4.33Å; F730-L763 HydrophobicContact CE2-CD2 4.04Å; F730-L763 HydrophobicContact CE2-CG 4.27Å; F730-L763 HydrophobicContact CG-CD1 4.33Å; F730-L763 HydrophobicContact CG-CD2 4.1Å; F730-L763 HydrophobicContact CZ-CD1 3.92Å; F730-L763 HydrophobicContact CZ-CD2 4.46Å; F730-L763 HydrophobicContact CZ-CG 4.26Å; L733-L763 HydrophobicContact CD2-CD1 4.41Å; I760-L763 WeakPolarHBondContact O-CB 3.49Å; I760-L763 PolarHBondContact O-N 2.8Å; L761-L763 VanDerWaalsContact C-N 3.26Å; L761-L763 PolarHBondContact O-N 3.5Å; L763-A767 HydrophobicContact CB-CB 4.36Å; L763-R768 HydrophobicContact CB-CB 4.35Å; L763-I771 HydrophobicContact CD1-CG2 4.38Å
764K89.8Confident91.9Very high180 Ų18068 Ų6878%0.78334%0.336SS*.  trans-59.1145.8169.7-63.7-176.1-179.6-178.80110.8K766 A767 R768K764-K766 VanDerWaalsContact C-N 3.28Å; K764-K766 PolarHBondContact O-N 3.42Å; K764-A767 PolarHBondContact O-N 2.89Å; K764-R768 PolarHBondContact O-N 3.29Å
765D88.9Confident92Very high98 Ų9863.1 Ų63.152%0.52431%0.311SS..Hα-helixtrans-48.5-42.7-175.2-69-12000114.9R768 K769D765-R768 PolarHBondContact O-N 3.12Å; D765-R768 IonicContact OD1-CZ 3.47Å; D765-R768 IonicContact OD1-NH1 2.7Å; D765-R768 IonicContact OD1-NH2 3.35Å; D765-R768 PolarHBondContact OD1-NH2 3.37Å; D765-K769 WeakPolarHBondContact O-CG 3.42Å; D765-K769 PolarHBondContact O-N 3.08Å
766K89.2Confident92.1Very high185 Ų18562 Ų6280%0.80430%0.302SS*.Hα-helixtrans-62.8-46.9178.4-68.2-175.1179.4-178.70111.7K764 L770K764-K766 VanDerWaalsContact C-N 3.28Å; K764-K766 PolarHBondContact O-N 3.42Å; K766-L770 VanDerWaalsContact O-CB 3.32Å; K766-L770 WeakPolarHBondContact O-CB 3.32Å; K766-L770 PolarHBondContact O-N 3.26Å; K766-L770 VanDerWaalsContact O-N 3.14Å
767A90.4Very high92.1Very high31 Ų3166.9 Ų66.926%0.25633%0.325SS..Hα-helixtrans-67.8-41.1179.600000111.2L733 L763 K764 L770 I771L733-A767 HydrophobicContact CD2-CB 3.93Å; L763-A767 HydrophobicContact CB-CB 4.36Å; K764-A767 PolarHBondContact O-N 2.89Å; A767-L770 PolarHBondContact O-N 3.12Å; A767-I771 WeakPolarHBondContact O-CG2 3.49Å; A767-I771 PolarHBondContact O-N 3.37Å
768R92.9Very high92.1Very high65 Ų6570 Ų7025%0.24534%0.337CS..Hα-helixtrans-60.3-45176-174.4175.165.5-142.9-5.3112.5I760 L763 K764 D765 I771 C772I760-R768 HydrophobicContact CG2-CG 3.95Å; L763-R768 HydrophobicContact CB-CB 4.35Å; K764-R768 PolarHBondContact O-N 3.29Å; D765-R768 PolarHBondContact O-N 3.12Å; D765-R768 IonicContact OD1-CZ 3.47Å; D765-R768 IonicContact OD1-NH1 2.7Å; D765-R768 IonicContact OD1-NH2 3.35Å; D765-R768 PolarHBondContact OD1-NH2 3.37Å; R768-I771 VanDerWaalsContact O-CG2 3.23Å; R768-I771 WeakPolarHBondContact O-CG2 3.33Å; R768-C772 WeakPolarHBondContact O-CB 3.48Å; R768-C772 PolarHBondContact O-N 2.93Å; R768-C772 PolarHBondContact O-SG 3.43Å
769K91Very high92.1Very high141 Ų14162.8 Ų62.861%0.61331%0.307SS*.Hα-helixtrans-62.8-45.3175.8-74.1178.9179.1-177.30111.4D765 C772 D773D765-K769 WeakPolarHBondContact O-CG 3.42Å; D765-K769 PolarHBondContact O-N 3.08Å; K769-C772 PolarHBondContact O-N 3.46Å; K769-D773 WeakPolarHBondContact O-CB 3.39Å; K769-D773 VanDerWaalsContact O-CG 3.29Å; K769-D773 PolarHBondContact O-N 3.35Å
770L93.6Very high92.1Very high70 Ų7063.1 Ų63.137%0.36631%0.305SS..Hα-helixtrans-64.9-43.4-175.1-152.6153.5000112.3L733 K766 A767 D773 W774L733-L770 HydrophobicContact CD1-CB 4.49Å; L733-L770 HydrophobicContact CD1-CD2 3.64Å; K766-L770 VanDerWaalsContact O-CB 3.32Å; K766-L770 WeakPolarHBondContact O-CB 3.32Å; K766-L770 PolarHBondContact O-N 3.26Å; K766-L770 VanDerWaalsContact O-N 3.14Å; A767-L770 PolarHBondContact O-N 3.12Å; L770-D773 PolarHBondContact O-N 3.2Å; L770-W774 HydrophobicContact CD2-CD2 3.7Å; L770-W774 HydrophobicContact CD2-CE3 4.18Å; L770-W774 HydrophobicContact CD2-CG 4.35Å; L770-W774 HydrophobicContact CD2-CH2 3.72Å; L770-W774 HydrophobicContact CD2-CZ2 3.19Å; L770-W774 HydrophobicContact CD2-CZ3 4.19Å; L770-W774 VanDerWaalsContact O-CG 3.3Å; L770-W774 PolarHBondContact O-N 2.88Å
771I94.1Very high92Very high1 Ų166.4 Ų66.41%0.00533%0.326CS..Hα-helixtrans-66.3-39.9175-167.3163.4000112.1F730 L733 I745 I760 L763 A767 R768 W774 L775F730-I771 HydrophobicContact CD1-CD1 3.81Å; F730-I771 HydrophobicContact CE1-CD1 3.6Å; L733-I771 HydrophobicContact CD1-CB 4.21Å; L733-I771 HydrophobicContact CD2-CB 4.2Å; L733-I771 HydrophobicContact CD2-CD1 4.47Å; I745-I771 HydrophobicContact CD1-CD1 3.99Å; I745-I771 HydrophobicContact CG1-CD1 3.9Å; I745-I771 HydrophobicContact CG2-CD1 4.5Å; I760-I771 HydrophobicContact CG2-CG2 4.11Å; L763-I771 HydrophobicContact CD1-CG2 4.38Å; A767-I771 WeakPolarHBondContact O-CG2 3.49Å; A767-I771 PolarHBondContact O-N 3.37Å; R768-I771 VanDerWaalsContact O-CG2 3.23Å; R768-I771 WeakPolarHBondContact O-CG2 3.33Å; I771-W774 PolarHBondContact O-N 2.68Å; I771-L775 HydrophobicContact CG1-CD1 4.42Å; I771-L775 WeakPolarHBondContact O-CB 3.43Å; I771-L775 WeakPolarHBondContact O-CG 3.3Å; I771-L775 PolarHBondContact O-N 3.41Å
772C92.9Very high91.9Very high6 Ų664.6 Ų64.64%0.04132%0.319CS..Hα-helixtrans-64.6-41.9176.2-69.80000111.6R768 K769 W774 L775 H776 L809 W819R768-C772 WeakPolarHBondContact O-CB 3.48Å; R768-C772 PolarHBondContact O-N 2.93Å; R768-C772 PolarHBondContact O-SG 3.43Å; K769-C772 PolarHBondContact O-N 3.46Å; C772-W774 PolarHBondContact O-N 2.6Å; C772-L775 PolarHBondContact O-N 2.74Å; C772-H776 WeakPolarHBondContact O-CB 3.29Å; C772-H776 PolarHBondContact O-N 2.87Å; C772-L809 HydrophobicContact CB-CD2 3.6Å; C772-W819 HydrophobicContact CB-CH2 3.99Å; C772-W819 HydrophobicContact CB-CZ2 3.62Å
773D92.9Very high91.8Very high64 Ų6460.7 Ų60.734%0.34229%0.291SS..Hα-helixtrans-62.1-42.6175.7-73.9-30.2000111.7K769 L770 H776 Q777K769-D773 WeakPolarHBondContact O-CB 3.39Å; K769-D773 VanDerWaalsContact O-CG 3.29Å; K769-D773 PolarHBondContact O-N 3.35Å; L770-D773 PolarHBondContact O-N 3.2Å; D773-H776 PolarHBondContact O-N 3.31Å; D773-Q777 WeakPolarHBondContact O-CB 3.24Å; D773-Q777 PolarHBondContact O-N 3.42Å
774W95.2Very high91.7Very high22 Ų2260.6 Ų60.68%0.08329%0.294CS..Hα-helixtrans-65.2-44.3176.5-73.1-4.1000113.2L733 N736 Q738 C741 V742 L770 I771 C772 H776 Q777 F778L733-W774 HydrophobicContact CB-CZ3 4.36Å; L733-W774 HydrophobicContact CD1-CD2 4.47Å; L733-W774 HydrophobicContact CD1-CE3 3.72Å; L733-W774 HydrophobicContact CD1-CH2 3.8Å; L733-W774 HydrophobicContact CD1-CZ3 3.34Å; L733-W774 HydrophobicContact CG-CZ3 4.42Å; N736-W774 WeakPolarHBondContact OD1-CZ2 3.39Å; Q738-W774 HydrophobicContact CB-CD2 4.03Å; Q738-W774 HydrophobicContact CB-CE3 4.13Å; Q738-W774 HydrophobicContact CB-CH2 4.16Å; Q738-W774 HydrophobicContact CB-CZ2 4.03Å; Q738-W774 HydrophobicContact CB-CZ3 4.19Å; Q738-W774 HydrophobicContact CG-CB 4.21Å; Q738-W774 HydrophobicContact CG-CD2 3.63Å; Q738-W774 HydrophobicContact CG-CE3 4Å; Q738-W774 HydrophobicContact CG-CG 3.75Å; Q738-W774 HydrophobicContact CG-CZ2 4.46Å; C741-W774 HydrophobicContact CB-CE3 4.21Å; C741-W774 HydrophobicContact CB-CZ3 3.92Å; V742-W774 HydrophobicContact CG2-CB 3.91Å; L770-W774 HydrophobicContact CD2-CD2 3.7Å; L770-W774 HydrophobicContact CD2-CE3 4.18Å; L770-W774 HydrophobicContact CD2-CG 4.35Å; L770-W774 HydrophobicContact CD2-CH2 3.72Å; L770-W774 HydrophobicContact CD2-CZ2 3.19Å; L770-W774 HydrophobicContact CD2-CZ3 4.19Å; L770-W774 VanDerWaalsContact O-CG 3.3Å; L770-W774 PolarHBondContact O-N 2.88Å; I771-W774 PolarHBondContact O-N 2.68Å; C772-W774 PolarHBondContact O-N 2.6Å; W774-H776 VanDerWaalsContact C-N 3.31Å; W774-H776 PolarHBondContact O-N 3.24Å; W774-Q777 PolarHBondContact O-N 2.98Å; W774-F778 WeakPolarHBondContact O-CB 3.27Å; W774-F778 PolarHBondContact O-N 3.26Å
775L94.4Very high91.6Very high2 Ų257.1 Ų57.11%0.0128%0.284CS..Hα-helixtrans-60.5-43.2175.6-75.3172.7000111.2V742 I745 I771 C772 C779 I805 L809V742-L775 HydrophobicContact CG1-CD2 4.26Å; I745-L775 HydrophobicContact CG2-CD1 4.09Å; I745-L775 HydrophobicContact CG2-CD2 4.1Å; I771-L775 HydrophobicContact CG1-CD1 4.42Å; I771-L775 WeakPolarHBondContact O-CB 3.43Å; I771-L775 WeakPolarHBondContact O-CG 3.3Å; I771-L775 PolarHBondContact O-N 3.41Å; C772-L775 PolarHBondContact O-N 2.74Å; L775-C779 VanDerWaalsContact O-CB 3.25Å; L775-C779 WeakPolarHBondContact O-CB 3.29Å; L775-C779 PolarHBondContact O-N 3.44Å; L775-I805 HydrophobicContact CB-CG2 4.01Å; L775-L809 HydrophobicContact CB-CD2 4.27Å; L775-L809 HydrophobicContact CD1-CD2 4.46Å
776H93.6Very high91.5Very high23 Ų2353.8 Ų53.811%0.10627%0.267CS..Hα-helixtrans-67.2-43.8176.8167.2-96.2000112.6C772 D773 W774 F778 C779 R780 L809 W819C772-H776 WeakPolarHBondContact O-CB 3.29Å; C772-H776 PolarHBondContact O-N 2.87Å; D773-H776 PolarHBondContact O-N 3.31Å; W774-H776 VanDerWaalsContact C-N 3.31Å; W774-H776 PolarHBondContact O-N 3.24Å; H776-F778 VanDerWaalsContact C-N 3.34Å; H776-F778 PolarHBondContact O-N 3.31Å; H776-C779 PolarHBondContact O-N 2.98Å; H776-R780 WeakPolarHBondContact CE1-CD 3.24Å; H776-R780 WeakPolarHBondContact NE2-CD 3.47Å; H776-R780 WeakPolarHBondContact O-CB 3.33Å; H776-R780 WeakPolarHBondContact O-CG 3.38Å; H776-R780 PolarHBondContact O-N 3.43Å; H776-L809 HydrophobicContact CB-CD1 3.91Å; H776-W819 HydrophobicContact CB-CE3 3.86Å; H776-W819 HydrophobicContact CB-CH2 4.02Å; H776-W819 HydrophobicContact CB-CZ3 3.2Å; H776-W819 AromaticContact CD2-CE3 3.58Å; H776-W819 AromaticContact CD2-CZ3 3.54Å; H776-W819 AromaticContact CG-CE3 3.88Å; H776-W819 AromaticContact CG-CZ3 3.36Å
777Q92.5Very high91.4Very high101 Ų10145.2 Ų45.247%0.47223%0.23SC..Hα-helixtrans-60.2-47177-175.1-177.58.500110.6D773 W774 R780 T781D773-Q777 WeakPolarHBondContact O-CB 3.24Å; D773-Q777 PolarHBondContact O-N 3.42Å; W774-Q777 PolarHBondContact O-N 2.98Å; Q777-R780 PolarHBondContact O-N 3.5Å; Q777-T781 WeakPolarHBondContact O-CG2 3.45Å; Q777-T781 PolarHBondContact O-N 3.41Å; Q777-T781 PolarHBondContact O-OG1 3.45Å
778F93.6Very high91Very high76 Ų7649.3 Ų49.333%0.33325%0.246SC..Hα-helixtrans-58.1-50.8175.6175.8-96.4000111.2V742 L746 W774 H776 R780 T781 S782 I805V742-F778 HydrophobicContact CG1-CB 3.78Å; V742-F778 HydrophobicContact CG1-CD1 3.71Å; V742-F778 HydrophobicContact CG1-CD2 3.87Å; V742-F778 HydrophobicContact CG1-CE1 4.26Å; V742-F778 HydrophobicContact CG1-CE2 4.38Å; V742-F778 HydrophobicContact CG1-CG 3.5Å; V742-F778 VanDerWaalsContact CG1-CG 3.5Å; L746-F778 HydrophobicContact CD1-CD1 4.49Å; L746-F778 HydrophobicContact CD1-CE1 3.78Å; W774-F778 WeakPolarHBondContact O-CB 3.27Å; W774-F778 PolarHBondContact O-N 3.26Å; H776-F778 VanDerWaalsContact C-N 3.34Å; H776-F778 PolarHBondContact O-N 3.31Å; F778-R780 VanDerWaalsContact C-N 3.35Å; F778-R780 PolarHBondContact O-N 2.79Å; F778-T781 PolarHBondContact O-N 2.67Å; F778-T781 PolarHBondContact O-OG1 2.85Å; F778-S782 WeakPolarHBondContact O-CB 3.2Å; F778-S782 PolarHBondContact O-N 3.39Å; F778-I805 HydrophobicContact CD1-CD1 3.94Å; F778-I805 HydrophobicContact CE1-CD1 4.33Å
779C92.4Very high90.5Very high2 Ų250.2 Ų50.21%0.01427%0.268CS..Hα-helixtrans-59-44.2179-169.70000112.1L775 H776 T781 S782 L783 A802 I805 L822L775-C779 VanDerWaalsContact O-CB 3.25Å; L775-C779 WeakPolarHBondContact O-CB 3.29Å; L775-C779 PolarHBondContact O-N 3.44Å; H776-C779 PolarHBondContact O-N 2.98Å; C779-T781 PolarHBondContact O-N 3.33Å; C779-S782 PolarHBondContact O-N 3.14Å; C779-L783 WeakPolarHBondContact O-CB 3.47Å; C779-L783 PolarHBondContact O-N 2.98Å; C779-A802 VanDerWaalsContact SG-CA 3.51Å; C779-I805 HydrophobicContact CB-CB 4.38Å; C779-I805 HydrophobicContact CB-CD1 4Å; C779-I805 HydrophobicContact CB-CG2 3.95Å; C779-L822 HydrophobicContact CB-CD1 4.31Å; C779-L822 HydrophobicContact CB-CD2 3.88Å
780R90.6Very high89.8Confident63 Ų6346.9 Ų46.924%0.23826%0.255CS..Hα-helixtrans-60.8-44.6175.9-76.7-168.271.576.93.6112.3H776 Q777 F778 S784 L822 D825H776-R780 WeakPolarHBondContact CE1-CD 3.24Å; H776-R780 WeakPolarHBondContact NE2-CD 3.47Å; H776-R780 WeakPolarHBondContact O-CB 3.33Å; H776-R780 WeakPolarHBondContact O-CG 3.38Å; H776-R780 PolarHBondContact O-N 3.43Å; Q777-R780 PolarHBondContact O-N 3.5Å; F778-R780 VanDerWaalsContact C-N 3.35Å; F778-R780 PolarHBondContact O-N 2.79Å; R780-S784 VanDerWaalsContact O-CB 3.31Å; R780-S784 WeakPolarHBondContact O-CB 3.33Å; R780-S784 PolarHBondContact O-N 3.32Å; R780-L822 HydrophobicContact CG-CD1 3.89Å; R780-D825 IonicContact NH1-OD2 2.88Å; R780-D825 PolarHBondContact NH1-OD2 2.93Å; R780-D825 VanDerWaalsContact NH1-OD2 3.15Å
781T90.4Very high88.8Confident71 Ų7148.6 Ų48.644%0.43627%0.272SS..Hα-helixtrans-66.7-42.1178.455.30000112Q777 F778 C779 S784 N785Q777-T781 WeakPolarHBondContact O-CG2 3.45Å; Q777-T781 PolarHBondContact O-N 3.41Å; Q777-T781 PolarHBondContact O-OG1 3.45Å; F778-T781 PolarHBondContact O-N 2.67Å; F778-T781 PolarHBondContact O-OG1 2.85Å; C779-T781 PolarHBondContact O-N 3.33Å; T781-S784 PolarHBondContact O-N 3.11Å; T781-N785 WeakPolarHBondContact O-CB 3.41Å; T781-N785 PolarHBondContact O-N 2.92Å; T781-N785 PolarHBondContact O-ND2 3.32Å
782S89.4Confident88.3Confident37 Ų3749.4 Ų49.426%0.25928%0.277SS..Hα-helixtrans-62.1-49.2176.3-173.10000110.7F778 C779 S784 N785 T786F778-S782 WeakPolarHBondContact O-CB 3.2Å; F778-S782 PolarHBondContact O-N 3.39Å; C779-S782 PolarHBondContact O-N 3.14Å; S782-S784 PolarHBondContact O-N 2.81Å; S782-N785 PolarHBondContact O-N 3.3Å; S782-T786 WeakPolarHBondContact O-CG2 3.49Å; S782-T786 PolarHBondContact O-N 3.48Å; S782-T786 PolarHBondContact O-OG1 3.37Å
783L90.1Very high87.9Confident4 Ų452.7 Ų52.72%0.02130%0.298CS..Hα-helixtrans-62.8-40.1178.3-172.564.5000112.6C779 N785 T786 V787 L799 L822 D825 A829 F888C779-L783 WeakPolarHBondContact O-CB 3.47Å; C779-L783 PolarHBondContact O-N 2.98Å; L783-N785 VanDerWaalsContact C-N 3.34Å; L783-N785 PolarHBondContact O-N 2.97Å; L783-T786 WeakPolarHBondContact CA-OG1 3.27Å; L783-T786 PolarHBondContact O-OG1 3.38Å; L783-V787 HydrophobicContact CD1-CG2 4.21Å; L783-V787 HydrophobicContact CG-CG2 4.4Å; L783-V787 VanDerWaalsContact O-CB 3.31Å; L783-V787 WeakPolarHBondContact O-CB 3.22Å; L783-V787 WeakPolarHBondContact O-CG2 3.44Å; L783-V787 PolarHBondContact O-N 3.3Å; L783-L799 HydrophobicContact CD1-CD2 3.56Å; L783-L822 HydrophobicContact CD2-CD1 4.34Å; L783-D825 HydrophobicContact CD2-CB 3.73Å; L783-A829 HydrophobicContact CD1-CB 3.88Å; L783-F888 HydrophobicContact CD2-CE2 4.48Å; L783-F888 HydrophobicContact CD2-CZ 3.9Å; L783-F888 HydrophobicContact CG-CE2 4.19Å; L783-F888 HydrophobicContact CG-CZ 4.11Å
784S88.5Confident87.6Confident31 Ų3150 Ų5022%0.21729%0.285CS..Hα-helixtrans-62.9-42.4175-174.70000111.6R780 T781 S782 I788R780-S784 VanDerWaalsContact O-CB 3.31Å; R780-S784 WeakPolarHBondContact O-CB 3.33Å; R780-S784 PolarHBondContact O-N 3.32Å; T781-S784 PolarHBondContact O-N 3.11Å; S782-S784 PolarHBondContact O-N 2.81Å; S784-I788 WeakPolarHBondContact O-CB 3.42Å; S784-I788 WeakPolarHBondContact O-CD1 3.17Å; S784-I788 WeakPolarHBondContact O-CG1 3.31Å; S784-I788 PolarHBondContact O-N 3.13Å; S784-I788 VanDerWaalsContact O-N 3.08Å
785N87.3Confident87Confident107 Ų10755.5 Ų55.557%0.57231%0.311SS*.Hα-helixtrans-68.2-41.5179.7-69.7-19.1000111.9T781 S782 L783 I788 A789T781-N785 WeakPolarHBondContact O-CB 3.41Å; T781-N785 PolarHBondContact O-N 2.92Å; T781-N785 PolarHBondContact O-ND2 3.32Å; S782-N785 PolarHBondContact O-N 3.3Å; L783-N785 VanDerWaalsContact C-N 3.34Å; L783-N785 PolarHBondContact O-N 2.97Å; N785-I788 PolarHBondContact O-N 2.98Å; N785-A789 VanDerWaalsContact O-CB 3.27Å; N785-A789 WeakPolarHBondContact O-CB 3.39Å; N785-A789 PolarHBondContact O-N 2.96Å
786T87.2Confident86.5Confident27 Ų2759.7 Ų59.717%0.16633%0.333CS..Hα-helixtrans-64.3-44.9178.154.10000111.5S782 L783 I788 A789 Q790S782-T786 WeakPolarHBondContact O-CG2 3.49Å; S782-T786 PolarHBondContact O-N 3.48Å; S782-T786 PolarHBondContact O-OG1 3.37Å; L783-T786 WeakPolarHBondContact CA-OG1 3.27Å; L783-T786 PolarHBondContact O-OG1 3.38Å; T786-I788 VanDerWaalsContact C-N 3.35Å; T786-I788 PolarHBondContact O-N 2.98Å; T786-A789 PolarHBondContact O-N 2.68Å; T786-Q790 WeakPolarHBondContact O-CB 3.23Å; T786-Q790 PolarHBondContact O-N 2.82Å; T786-Q790 VanDerWaalsContact O-N 3.08Å
787V86.3Confident86Confident5 Ų567 Ų673%0.0337%0.368CS..Hα-helixtrans-67.3-32.4179.8171.60000112.5L783 V792 A829 A891 L892L783-V787 HydrophobicContact CD1-CG2 4.21Å; L783-V787 HydrophobicContact CG-CG2 4.4Å; L783-V787 VanDerWaalsContact O-CB 3.31Å; L783-V787 WeakPolarHBondContact O-CB 3.22Å; L783-V787 WeakPolarHBondContact O-CG2 3.44Å; L783-V787 PolarHBondContact O-N 3.3Å; V787-V792 HydrophobicContact CG1-CG2 3.79Å; V787-A829 HydrophobicContact CG2-CB 3.85Å; V787-A891 HydrophobicContact CG1-CB 3.55Å; V787-L892 HydrophobicContact CG1-CD2 3.97Å; V787-L892 HydrophobicContact CG1-CG 4.39Å; V787-L892 HydrophobicContact CG2-CD2 3.75Å
788I82.5Confident85.5Confident117 Ų11765.5 Ų65.560%0.636%0.36SS*.Hα-helixtrans-76-40.9176-69.2166.3000111.4S784 N785 T786 Q790S784-I788 WeakPolarHBondContact O-CB 3.42Å; S784-I788 WeakPolarHBondContact O-CD1 3.17Å; S784-I788 WeakPolarHBondContact O-CG1 3.31Å; S784-I788 PolarHBondContact O-N 3.13Å; S784-I788 VanDerWaalsContact O-N 3.08Å; N785-I788 PolarHBondContact O-N 2.98Å; T786-I788 VanDerWaalsContact C-N 3.35Å; T786-I788 PolarHBondContact O-N 2.98Å; I788-Q790 VanDerWaalsContact C-N 3.33Å
789A81.1Confident85.3Confident85 Ų8561.9 Ų61.970%0.70235%0.345SS*.Hα-helixtrans-73.8-24.8-17600000113.3N785 T786N785-A789 VanDerWaalsContact O-CB 3.27Å; N785-A789 WeakPolarHBondContact O-CB 3.39Å; N785-A789 PolarHBondContact O-N 2.96Å; T786-A789 PolarHBondContact O-N 2.68Å
790Q76.4Confident85.1Confident71 Ų7169.5 Ų69.533%0.33237%0.373SS..SBendtrans-125157.5-170.9-60.5176.5-13.500111.8T786 I788 V792 Q798T786-Q790 WeakPolarHBondContact O-CB 3.23Å; T786-Q790 PolarHBondContact O-N 2.82Å; T786-Q790 VanDerWaalsContact O-N 3.08Å; I788-Q790 VanDerWaalsContact C-N 3.33Å; Q790-V792 PolarHBondContact O-N 2.69Å; Q790-Q798 VanDerWaalsContact NE2-CD 3.34Å
791S73.7Confident85Confident106 Ų10669.9 Ų69.974%0.74138%0.378SS*.PPolyproline II helixtrans-77.5122.3172.756.60000110.4P793S791-P793 CarbonylContact O-C 3.48Å; S791-P793 VanDerWaalsContact O-O 3.13Å
792V82.3Confident85.1Confident18 Ų1867 Ų6711%0.10936%0.361CS..SBendtrans-67.8133.7170.1-176.20000109.7V787 Q790 W863 A891V787-V792 HydrophobicContact CG1-CG2 3.79Å; Q790-V792 PolarHBondContact O-N 2.69Å; V792-W863 HydrophobicContact CG1-CH2 4.27Å; V792-W863 HydrophobicContact CG1-CZ2 3.66Å; V792-A891 WeakPolarHBondContact CG2-O 3.39Å
793P85.8Confident85.2Confident74 Ų7467.6 Ų67.648%0.48136%0.359SS..SBendcis-77.4138.57.729.5-33.6000115S791 A829 K830 W863S791-P793 CarbonylContact O-C 3.48Å; S791-P793 VanDerWaalsContact O-O 3.13Å; P793-A829 WeakPolarHBondContact CA-O 3.33Å; P793-K830 WeakPolarHBondContact CB-O 3.25Å; P793-W863 HydrophobicContact CB-CH2 4.41Å
794C86.1Confident85.2Confident8 Ų869.1 Ų69.15%0.05437%0.368CS..PPolyproline II helixtrans-78.6158.5176.9-58.70000111.9L799 A829C794-L799 HydrophobicContact CB-CD1 4.04Å; C794-L799 HydrophobicContact CB-CD2 4.33Å; C794-L799 HydrophobicContact CB-CG 4.13Å; C794-A829 PolarHBondContact N-O 3.15Å
795H83.6Confident85.4Confident137 Ų13767.7 Ų67.763%0.63436%0.358SS*.PPolyproline II helixtrans-78151176.7-64.3-38.6000112.3E797 Q798H795-E797 VanDerWaalsContact C-N 3.27Å; H795-E797 PolarHBondContact O-N 3.05Å; H795-Q798 WeakPolarHBondContact O-CB 3.46Å; H795-Q798 PolarHBondContact O-N 3.1Å; H795-Q798 VanDerWaalsContact O-N 3.08Å
796D82.4Confident85.6Confident91 Ų9162.6 Ų62.649%0.48733%0.331SS..Hα-helixtrans-57-35.8-177.3-85.6-12.5000113.6Q798 L799 R800 K830D796-Q798 VanDerWaalsContact C-N 3.27Å; D796-Q798 PolarHBondContact O-N 3.41Å; D796-L799 PolarHBondContact O-N 3.41Å; D796-R800 PolarHBondContact O-N 3.4Å; D796-K830 VanDerWaalsContact CG-NZ 3.3Å; D796-K830 VanDerWaalsContact OD1-CD 3.23Å; D796-K830 WeakPolarHBondContact OD1-CD 3.43Å; D796-K830 WeakPolarHBondContact OD1-CE 3.25Å; D796-K830 IonicContact OD1-NZ 2.69Å; D796-K830 PolarHBondContact OD1-NZ 3Å; D796-K830 IonicContact OD2-NZ 3.61Å; D796-K830 PolarHBondContact OD2-NZ 2.69Å; D796-K830 VanDerWaalsContact OD2-NZ 3.1Å
797E83.1Confident85.8Confident176 Ų17662.3 Ų62.382%0.82233%0.333SS*.Hα-helixtrans-61.6-36.2178.9-66.4-170163.100112.6H795 L799H795-E797 VanDerWaalsContact C-N 3.27Å; H795-E797 PolarHBondContact O-N 3.05Å; E797-L799 VanDerWaalsContact C-N 3.32Å; E797-L799 PolarHBondContact O-N 3.45Å
798Q83.5Confident86Confident69 Ų6962.1 Ų62.132%0.32233%0.332SS..Hα-helixtrans-76.5-23.4-177.3-63.9152.5-13.800112.1Q790 H795 D796Q790-Q798 VanDerWaalsContact NE2-CD 3.34Å; H795-Q798 WeakPolarHBondContact O-CB 3.46Å; H795-Q798 PolarHBondContact O-N 3.1Å; H795-Q798 VanDerWaalsContact O-N 3.08Å; D796-Q798 VanDerWaalsContact C-N 3.27Å; D796-Q798 PolarHBondContact O-N 3.41Å
799L88.2Confident86.5Confident1 Ų156.6 Ų56.61%0.00530%0.304CS..Hα-helixtrans-100.6-4.8-179.1-61178.7000112.9L783 C794 D796 E797 E801 A802 F803 T826 A829 K830L783-L799 HydrophobicContact CD1-CD2 3.56Å; C794-L799 HydrophobicContact CB-CD1 4.04Å; C794-L799 HydrophobicContact CB-CD2 4.33Å; C794-L799 HydrophobicContact CB-CG 4.13Å; D796-L799 PolarHBondContact O-N 3.41Å; E797-L799 VanDerWaalsContact C-N 3.32Å; E797-L799 PolarHBondContact O-N 3.45Å; L799-E801 VanDerWaalsContact C-N 3.3Å; L799-E801 PolarHBondContact O-N 3.1Å; L799-A802 WeakPolarHBondContact O-CB 3.49Å; L799-A802 PolarHBondContact O-N 3.13Å; L799-F803 HydrophobicContact CB-CD2 4.02Å; L799-F803 HydrophobicContact CB-CE2 3.88Å; L799-F803 HydrophobicContact CD1-CE2 4.45Å; L799-F803 VanDerWaalsContact O-CD2 3.31Å; L799-F803 WeakPolarHBondContact O-CD2 3.28Å; L799-F803 PolarHBondContact O-N 3.39Å; L799-T826 HydrophobicContact CB-CG2 4.29Å; L799-A829 HydrophobicContact CD1-CB 4.14Å; L799-A829 HydrophobicContact CD2-CB 4.01Å; L799-K830 HydrophobicContact CD1-CB 3.61Å; L799-K830 HydrophobicContact CD1-CG 4.44Å
800R88.6Confident87.1Confident162 Ų16254 Ų5461%0.61128%0.278SS*.Hα-helixtrans-53.8-45.9-176.7-173.8178.9179.4-177.4-0.6112.3D796 A802 F803 V804D796-R800 PolarHBondContact O-N 3.4Å; R800-A802 VanDerWaalsContact C-N 3.34Å; R800-A802 PolarHBondContact O-N 3.3Å; R800-F803 PolarHBondContact O-N 3.22Å; R800-V804 VanDerWaalsContact O-CG2 3.3Å; R800-V804 WeakPolarHBondContact O-CG2 3.29Å; R800-V804 PolarHBondContact O-N 2.94Å; R800-V804 VanDerWaalsContact O-N 3.09Å
801E89.3Confident87.8Confident71 Ų7156 Ų5633%0.33228%0.282SS..Hα-helixtrans-63-41177.8-65.9-174.4169.700112.2L746 L799 V804 I805L746-E801 HydrophobicContact CD1-CB 4.11Å; L746-E801 HydrophobicContact CD1-CG 4.12Å; L799-E801 VanDerWaalsContact C-N 3.3Å; L799-E801 PolarHBondContact O-N 3.1Å; E801-V804 PolarHBondContact O-N 3.24Å; E801-I805 WeakPolarHBondContact O-CG1 3.05Å; E801-I805 PolarHBondContact O-N 2.82Å
802A90.8Very high88.5Confident9 Ų951.8 Ų51.87%0.07425%0.252CS..Hα-helixtrans-66.1-40.3-179.500000112.1C779 L799 R800 G806 T826C779-A802 VanDerWaalsContact SG-CA 3.51Å; L799-A802 WeakPolarHBondContact O-CB 3.49Å; L799-A802 PolarHBondContact O-N 3.13Å; R800-A802 VanDerWaalsContact C-N 3.34Å; R800-A802 PolarHBondContact O-N 3.3Å; A802-G806 PolarHBondContact O-N 2.68Å; A802-T826 HydrophobicContact CB-CG2 3.59Å
803F91.6Very high88.7Confident50 Ų5054.4 Ų54.422%0.21927%0.265CS..Hα-helixtrans-65-42.4173.7-79.1-63.2000112.7L799 R800 G807 Y823 T826 L827 K830L799-F803 HydrophobicContact CB-CD2 4.02Å; L799-F803 HydrophobicContact CB-CE2 3.88Å; L799-F803 HydrophobicContact CD1-CE2 4.45Å; L799-F803 VanDerWaalsContact O-CD2 3.31Å; L799-F803 WeakPolarHBondContact O-CD2 3.28Å; L799-F803 PolarHBondContact O-N 3.39Å; R800-F803 PolarHBondContact O-N 3.22Å; F803-G807 PolarHBondContact O-N 2.68Å; F803-Y823 HydrophobicContact CD1-CD2 4.31Å; F803-Y823 AromaticContact CD1-CE2 3.81Å; F803-Y823 HydrophobicContact CD1-CE2 3.81Å; F803-Y823 AromaticContact CE1-CE2 3.97Å; F803-Y823 HydrophobicContact CE1-CE2 3.97Å; F803-T826 HydrophobicContact CD1-CG2 3.97Å; F803-T826 HydrophobicContact CD2-CG2 3.92Å; F803-T826 HydrophobicContact CE1-CG2 3.84Å; F803-T826 HydrophobicContact CE2-CG2 3.79Å; F803-T826 HydrophobicContact CG-CG2 4.01Å; F803-T826 HydrophobicContact CZ-CG2 3.75Å; F803-L827 HydrophobicContact CE1-CD2 3.78Å; F803-L827 HydrophobicContact CE1-CG 4.23Å; F803-L827 HydrophobicContact CZ-CD2 4.04Å; F803-K830 HydrophobicContact CE2-CD 4.02Å; F803-K830 HydrophobicContact CZ-CB 4.41Å; F803-K830 HydrophobicContact CZ-CD 3.92Å
804V92.1Very high88.6Confident37 Ų3755.2 Ų55.222%0.22427%0.273CS..Hα-helixtrans-64-46.9178.3169.70000110.9L749 R800 E801 A808L749-V804 HydrophobicContact CB-CG1 3.52Å; R800-V804 VanDerWaalsContact O-CG2 3.3Å; R800-V804 WeakPolarHBondContact O-CG2 3.29Å; R800-V804 PolarHBondContact O-N 2.94Å; R800-V804 VanDerWaalsContact O-N 3.09Å; E801-V804 PolarHBondContact O-N 3.24Å; V804-A808 WeakPolarHBondContact O-CB 3.35Å; V804-A808 PolarHBondContact O-N 2.75Å
805I92.3Very high88.5Confident1 Ų157.9 Ų57.91%0.00530%0.301CS..Hα-helixtrans-64.5-50.3176.7-69.6169000110.7L746 L775 F778 C779 E801 G807 A808 L809L746-I805 HydrophobicContact CD1-CD1 3.79Å; L746-I805 HydrophobicContact CD1-CG1 4.41Å; L775-I805 HydrophobicContact CB-CG2 4.01Å; F778-I805 HydrophobicContact CD1-CD1 3.94Å; F778-I805 HydrophobicContact CE1-CD1 4.33Å; C779-I805 HydrophobicContact CB-CB 4.38Å; C779-I805 HydrophobicContact CB-CD1 4Å; C779-I805 HydrophobicContact CB-CG2 3.95Å; E801-I805 WeakPolarHBondContact O-CG1 3.05Å; E801-I805 PolarHBondContact O-N 2.82Å; I805-G807 VanDerWaalsContact C-N 3.34Å; I805-G807 PolarHBondContact O-N 3.48Å; I805-A808 WeakPolarHBondContact O-CB 3.29Å; I805-A808 PolarHBondContact O-N 2.92Å; I805-A808 VanDerWaalsContact O-N 3.11Å; I805-L809 HydrophobicContact CG2-CD1 3.65Å; I805-L809 HydrophobicContact CG2-CG 4.08Å; I805-L809 WeakPolarHBondContact O-CG 3.21Å; I805-L809 PolarHBondContact O-N 3.11Å
806G90.4Very high88.7Confident0 Ų053 Ų530%028%0.28CS..Hα-helixtrans-58.5-45.4-178.800000112.2A802 A808 L809 M810A802-G806 PolarHBondContact O-N 2.68Å; G806-A808 VanDerWaalsContact C-N 3.33Å; G806-A808 PolarHBondContact O-N 2.7Å; G806-L809 PolarHBondContact O-N 3.37Å; G806-M810 WeakPolarHBondContact O-CG 3.34Å; G806-M810 PolarHBondContact O-N 3.01Å
807G91.1Very high89Confident21 Ų2151.3 Ų51.322%0.21627%0.274CS..Hα-helixtrans-65.4-31.7175.600000113.8F803 I805 R811F803-G807 PolarHBondContact O-N 2.68Å; I805-G807 VanDerWaalsContact C-N 3.34Å; I805-G807 PolarHBondContact O-N 3.48Å; G807-R811 VanDerWaalsContact O-CG 3.31Å; G807-R811 WeakPolarHBondContact O-CG 3.32Å; G807-R811 PolarHBondContact O-N 3.46Å; G807-R811 PolarHBondContact O-NE 2.73Å
808A91.7Very high89.3Confident1 Ų149.5 Ų49.51%0.00826%0.26CS..Hα-helixtrans-70.8-47.9173.400000111.6L749 V757 V804 I805 G806 M810 R811 T812L749-A808 HydrophobicContact CD1-CB 4.03Å; L749-A808 HydrophobicContact CD2-CB 3.58Å; L749-A808 HydrophobicContact CG-CB 4.48Å; V757-A808 HydrophobicContact CG2-CB 4.11Å; V804-A808 WeakPolarHBondContact O-CB 3.35Å; V804-A808 PolarHBondContact O-N 2.75Å; I805-A808 WeakPolarHBondContact O-CB 3.29Å; I805-A808 PolarHBondContact O-N 2.92Å; I805-A808 VanDerWaalsContact O-N 3.11Å; G806-A808 VanDerWaalsContact C-N 3.33Å; G806-A808 PolarHBondContact O-N 2.7Å; A808-M810 PolarHBondContact O-N 3.07Å; A808-R811 PolarHBondContact O-N 3.18Å; A808-R811 VanDerWaalsContact O-N 3.14Å; A808-T812 WeakPolarHBondContact O-CG2 3.18Å; A808-T812 PolarHBondContact O-N 2.93Å; A808-T812 PolarHBondContact O-OG1 3.2Å
809L93.3Very high89.8Confident1 Ų146.4 Ų46.41%0.00525%0.245CC..Hα-helixtrans-59-46.7-179.6-70.3173.1000112.1C772 L775 H776 I805 G806 R811 T812 D813 W819 L822C772-L809 HydrophobicContact CB-CD2 3.6Å; L775-L809 HydrophobicContact CB-CD2 4.27Å; L775-L809 HydrophobicContact CD1-CD2 4.46Å; H776-L809 HydrophobicContact CB-CD1 3.91Å; I805-L809 HydrophobicContact CG2-CD1 3.65Å; I805-L809 HydrophobicContact CG2-CG 4.08Å; I805-L809 WeakPolarHBondContact O-CG 3.21Å; I805-L809 PolarHBondContact O-N 3.11Å; G806-L809 PolarHBondContact O-N 3.37Å; L809-R811 VanDerWaalsContact C-N 3.26Å; L809-R811 PolarHBondContact O-N 2.9Å; L809-T812 WeakPolarHBondContact CA-OG1 3.38Å; L809-T812 PolarHBondContact O-N 3.14Å; L809-T812 VanDerWaalsContact O-N 3.11Å; L809-T812 PolarHBondContact O-OG1 3.44Å; L809-D813 PolarHBondContact O-N 2.77Å; L809-W819 HydrophobicContact CB-CB 3.99Å; L809-W819 HydrophobicContact CB-CD2 3.91Å; L809-W819 HydrophobicContact CB-CE3 4.41Å; L809-W819 HydrophobicContact CB-CG 3.73Å; L809-W819 HydrophobicContact CD1-CD2 4.15Å; L809-W819 HydrophobicContact CD1-CE3 3.8Å; L809-W819 HydrophobicContact CD1-CZ3 4.24Å; L809-W819 HydrophobicContact CD2-CD2 4.36Å; L809-W819 HydrophobicContact CD2-CH2 4.47Å; L809-W819 HydrophobicContact CD2-CZ2 4.32Å; L809-W819 HydrophobicContact CG-CD2 4.38Å; L809-W819 HydrophobicContact CG-CE3 4.48Å; L809-L822 HydrophobicContact CD1-CD2 4.04Å
810M92.1Very high89.9Confident31 Ų3147.4 Ų47.415%0.15325%0.25CC..Hα-helixtrans-62.2-32.3177.6-69.8-173.7-62.400113.2G806 A808 S814 W819 Y823G806-M810 WeakPolarHBondContact O-CG 3.34Å; G806-M810 PolarHBondContact O-N 3.01Å; A808-M810 PolarHBondContact O-N 3.07Å; M810-S814 WeakPolarHBondContact O-CA 3.47Å; M810-S814 WeakPolarHBondContact O-CB 3.22Å; M810-S814 PolarHBondContact O-N 3.46Å; M810-W819 HydrophobicContact CG-CB 3.98Å; M810-Y823 HydrophobicContact CE-CD1 4.02Å; M810-Y823 HydrophobicContact CE-CD2 3.69Å; M810-Y823 HydrophobicContact CE-CE1 4.42Å; M810-Y823 HydrophobicContact CE-CE2 4.12Å; M810-Y823 HydrophobicContact CE-CG 3.62Å; M810-Y823 HydrophobicContact SD-CD1 4.23Å; M810-Y823 HydrophobicContact SD-CG 4.03Å
811R91.3Very high90.1Very high113 Ų11339.9 Ų39.943%0.42622%0.222SC..Hα-helixtrans-79.4-24176.1-70.6-176.6-63.5158.4-0.5113.3D754 V757 G807 A808 L809D754-R811 IonicContact OD1-CZ 2.73Å; D754-R811 IonicContact OD1-NH1 2.68Å; D754-R811 PolarHBondContact OD1-NH1 3.49Å; V757-R811 HydrophobicContact CG1-CB 4.08Å; V757-R811 HydrophobicContact CG2-CB 4.39Å; G807-R811 VanDerWaalsContact O-CG 3.31Å; G807-R811 WeakPolarHBondContact O-CG 3.32Å; G807-R811 PolarHBondContact O-N 3.46Å; G807-R811 PolarHBondContact O-NE 2.73Å; A808-R811 PolarHBondContact O-N 3.18Å; A808-R811 VanDerWaalsContact O-N 3.14Å; L809-R811 VanDerWaalsContact C-N 3.26Å; L809-R811 PolarHBondContact O-N 2.9Å
812T88.9Confident90.2Very high16 Ų1636.5 Ų36.510%0.09821%0.206CC..Hα-helixtrans-77.7-40.217456.10000112.8V757 I760 A808 L809V757-T812 HydrophobicContact CG1-CG2 3.97Å; V757-T812 HydrophobicContact CG2-CG2 4.36Å; I760-T812 HydrophobicContact CB-CG2 4.22Å; I760-T812 HydrophobicContact CG2-CG2 3.8Å; A808-T812 WeakPolarHBondContact O-CG2 3.18Å; A808-T812 PolarHBondContact O-N 2.93Å; A808-T812 PolarHBondContact O-OG1 3.2Å; L809-T812 WeakPolarHBondContact CA-OG1 3.38Å; L809-T812 PolarHBondContact O-N 3.14Å; L809-T812 VanDerWaalsContact O-N 3.11Å; L809-T812 PolarHBondContact O-OG1 3.44Å
813D85.8Confident90.3Very high74 Ų7438.9 Ų38.940%0.39621%0.213SC..  trans-150.391179.7179.48.1000110L809 G815L809-D813 PolarHBondContact O-N 2.77Å; D813-G815 PolarHBondContact O-N 3.48Å; D813-G815 PolarHBondContact OD1-N 2.86Å
814S84.8Confident90.4Very high90 Ų9036.5 Ų36.563%0.62920%0.203SC*.THydrogen-bonded Turntrans-71.6-12-17860.50000113.6M810 H820M810-S814 WeakPolarHBondContact O-CA 3.47Å; M810-S814 WeakPolarHBondContact O-CB 3.22Å; M810-S814 PolarHBondContact O-N 3.46Å; S814-H820 PolarHBondContact O-NE2 3.18Å
815G83.3Confident90.4Very high64 Ų6434.7 Ų34.766%0.6619%0.192SC*.THydrogen-bonded Turntrans-83.5-14.1-178.900000113.9D813 P817D813-G815 PolarHBondContact O-N 3.48Å; D813-G815 PolarHBondContact OD1-N 2.86Å; G815-P817 WeakPolarHBondContact O-CD 3.41Å
816N88.4Confident90.4Very high35 Ų3534.7 Ų34.719%0.18719%0.192CC..  trans-85.7118-174-170.4-29.2000111.8R818 W819 H820N816-R818 PolarHBondContact O-N 2.88Å; N816-R818 WeakPolarHBondContact OD1-CB 3.47Å; N816-R818 PolarHBondContact OD1-N 3.38Å; N816-R818 VanDerWaalsContact OD1-N 3.08Å; N816-W819 HydrophobicContact CB-CD2 4.48Å; N816-W819 HydrophobicContact CB-CG 4.25Å; N816-W819 PolarHBondContact O-N 2.87Å; N816-H820 PolarHBondContact O-CD2 3.35Å; N816-H820 VanDerWaalsContact O-CD2 3.31Å
817P88.8Confident90.5Very high56 Ų5635 Ų3536%0.36419%0.193SC..Hα-helixtrans-63.6-27.9-175.825.6-34.6000113G815 W819 H820 L821 F844G815-P817 WeakPolarHBondContact O-CD 3.41Å; P817-W819 VanDerWaalsContact C-N 3.33Å; P817-W819 PolarHBondContact O-N 2.91Å; P817-H820 PolarHBondContact O-N 2.94Å; P817-L821 VanDerWaalsContact O-CG 3.27Å; P817-L821 WeakPolarHBondContact O-CG 3.47Å; P817-L821 PolarHBondContact O-N 3.49Å; P817-F844 HydrophobicContact CB-CE1 3.63Å; P817-F844 HydrophobicContact CB-CZ 3.7Å
818R90.1Very high90.5Very high137 Ų13734 Ų3452%0.51718%0.183SC..Hα-helixtrans-62.9-37-177.3-64.7180179.9172.5-0.4112.9N816 L821 L822N816-R818 PolarHBondContact O-N 2.88Å; N816-R818 WeakPolarHBondContact OD1-CB 3.47Å; N816-R818 PolarHBondContact OD1-N 3.38Å; N816-R818 VanDerWaalsContact OD1-N 3.08Å; R818-L821 PolarHBondContact O-N 3.09Å; R818-L822 PolarHBondContact O-N 3.14Å
819W92.5Very high90.4Very high5 Ų533.9 Ų33.92%0.01918%0.183CC..Hα-helixtrans-68.7-40.2-180-47.1152.3000111.4C772 H776 L809 M810 N816 P817 L822 Y823C772-W819 HydrophobicContact CB-CH2 3.99Å; C772-W819 HydrophobicContact CB-CZ2 3.62Å; H776-W819 HydrophobicContact CB-CE3 3.86Å; H776-W819 HydrophobicContact CB-CH2 4.02Å; H776-W819 HydrophobicContact CB-CZ3 3.2Å; H776-W819 AromaticContact CD2-CE3 3.58Å; H776-W819 AromaticContact CD2-CZ3 3.54Å; H776-W819 AromaticContact CG-CE3 3.88Å; H776-W819 AromaticContact CG-CZ3 3.36Å; L809-W819 HydrophobicContact CB-CB 3.99Å; L809-W819 HydrophobicContact CB-CD2 3.91Å; L809-W819 HydrophobicContact CB-CE3 4.41Å; L809-W819 HydrophobicContact CB-CG 3.73Å; L809-W819 HydrophobicContact CD1-CD2 4.15Å; L809-W819 HydrophobicContact CD1-CE3 3.8Å; L809-W819 HydrophobicContact CD1-CZ3 4.24Å; L809-W819 HydrophobicContact CD2-CD2 4.36Å; L809-W819 HydrophobicContact CD2-CH2 4.47Å; L809-W819 HydrophobicContact CD2-CZ2 4.32Å; L809-W819 HydrophobicContact CG-CD2 4.38Å; L809-W819 HydrophobicContact CG-CE3 4.48Å; M810-W819 HydrophobicContact CG-CB 3.98Å; N816-W819 HydrophobicContact CB-CD2 4.48Å; N816-W819 HydrophobicContact CB-CG 4.25Å; N816-W819 PolarHBondContact O-N 2.87Å; P817-W819 VanDerWaalsContact C-N 3.33Å; P817-W819 PolarHBondContact O-N 2.91Å; W819-L822 PolarHBondContact O-N 3.34Å; W819-Y823 PolarHBondContact O-N 3.3Å
820H91.3Very high90.3Very high21 Ų2136.6 Ų36.610%0.09719%0.194CC..Hα-helixtrans-65.3-41.1175.5-65.2-67000111.6S814 N816 P817 Y823 V824 H839 V843 F844S814-H820 PolarHBondContact O-NE2 3.18Å; N816-H820 PolarHBondContact O-CD2 3.35Å; N816-H820 VanDerWaalsContact O-CD2 3.31Å; P817-H820 PolarHBondContact O-N 2.94Å; H820-Y823 PolarHBondContact O-N 3.25Å; H820-V824 WeakPolarHBondContact O-CG2 3.47Å; H820-V824 PolarHBondContact O-N 3.3Å; H820-H839 AromaticContact CG-CE1 3.97Å; H820-H839 AromaticContact ND1-CE1 3.23Å; H820-H839 PolarHBondContact ND1-CE1 2.74Å; H820-H839 AromaticContact ND1-NE2 3.84Å; H820-V843 HydrophobicContact CB-CG1 4.09Å; H820-V843 HydrophobicContact CB-CG2 4.36Å; H820-F844 HydrophobicContact CB-CE2 4.14Å; H820-F844 HydrophobicContact CB-CZ 4.43Å
821L91.5Very high90.1Very high4 Ų436.2 Ų36.22%0.02120%0.198CC..Hα-helixtrans-64.8-39.7175.9-67170.6000112P817 R818 V824 D825 F844 E852 A853P817-L821 VanDerWaalsContact O-CG 3.27Å; P817-L821 WeakPolarHBondContact O-CG 3.47Å; P817-L821 PolarHBondContact O-N 3.49Å; R818-L821 PolarHBondContact O-N 3.09Å; L821-V824 PolarHBondContact O-N 2.99Å; L821-D825 WeakPolarHBondContact O-CB 3.49Å; L821-D825 PolarHBondContact O-N 3.12Å; L821-F844 HydrophobicContact CD1-CZ 4.29Å; L821-F844 HydrophobicContact CD2-CE2 3.77Å; L821-F844 HydrophobicContact CD2-CZ 3.73Å; L821-F844 HydrophobicContact CG-CE2 4.14Å; L821-F844 HydrophobicContact CG-CZ 3.75Å; L821-E852 HydrophobicContact CD1-CB 4.19Å; L821-A853 HydrophobicContact CD2-CB 3.89Å
822L92.4Very high90Very high0 Ų034.1 Ų34.10%020%0.195CC..Hα-helixtrans-62.9-40.9173.4177.366.3000112.2C779 R780 L783 L809 R818 W819 D825 T826C779-L822 HydrophobicContact CB-CD1 4.31Å; C779-L822 HydrophobicContact CB-CD2 3.88Å; R780-L822 HydrophobicContact CG-CD1 3.89Å; L783-L822 HydrophobicContact CD2-CD1 4.34Å; L809-L822 HydrophobicContact CD1-CD2 4.04Å; R818-L822 PolarHBondContact O-N 3.14Å; W819-L822 PolarHBondContact O-N 3.34Å; L822-D825 WeakPolarHBondContact O-CB 3.24Å; L822-D825 PolarHBondContact O-N 3.21Å; L822-T826 PolarHBondContact O-N 2.8Å; L822-T826 PolarHBondContact O-OG1 3.47Å
823Y93Very high90.1Very high59 Ų5934.1 Ų34.123%0.23120%0.195CC..Hα-helixtrans-64.5-42.6176.1-176.3-112000111.6F803 M810 W819 H820 T826 L827 H839F803-Y823 HydrophobicContact CD1-CD2 4.31Å; F803-Y823 AromaticContact CD1-CE2 3.81Å; F803-Y823 HydrophobicContact CD1-CE2 3.81Å; F803-Y823 AromaticContact CE1-CE2 3.97Å; F803-Y823 HydrophobicContact CE1-CE2 3.97Å; M810-Y823 HydrophobicContact CE-CD1 4.02Å; M810-Y823 HydrophobicContact CE-CD2 3.69Å; M810-Y823 HydrophobicContact CE-CE1 4.42Å; M810-Y823 HydrophobicContact CE-CE2 4.12Å; M810-Y823 HydrophobicContact CE-CG 3.62Å; M810-Y823 HydrophobicContact SD-CD1 4.23Å; M810-Y823 HydrophobicContact SD-CG 4.03Å; W819-Y823 PolarHBondContact O-N 3.3Å; H820-Y823 PolarHBondContact O-N 3.25Å; Y823-T826 PolarHBondContact O-N 3.26Å; Y823-L827 HydrophobicContact CD1-CD1 3.88Å; Y823-L827 HydrophobicContact CE1-CD1 3.49Å; Y823-L827 VanDerWaalsContact CE1-CD1 3.49Å; Y823-L827 HydrophobicContact CE1-CG 4.22Å; Y823-L827 WeakPolarHBondContact O-CG 3.09Å; Y823-L827 PolarHBondContact O-N 3.38Å; Y823-H839 AromaticContact CD1-CD2 3.47Å; Y823-H839 VanDerWaalsContact CD1-CD2 3.47Å; Y823-H839 WeakPolarHBondContact CD1-CD2 3.29Å; Y823-H839 AromaticContact CD1-CE1 3.88Å; Y823-H839 AromaticContact CD1-CG 3.92Å; Y823-H839 AromaticContact CD1-NE2 3.44Å; Y823-H839 WeakPolarHBondContact CD1-NE2 3.42Å; Y823-H839 AromaticContact CE1-CD2 3.43Å; Y823-H839 VanDerWaalsContact CE1-CD2 3.43Å; Y823-H839 WeakPolarHBondContact CE1-CD2 3.37Å; Y823-H839 AromaticContact CE1-NE2 3.78Å
824V92.5Very high90.2Very high0 Ų039.3 Ų39.30%021%0.214CC..Hα-helixtrans-60.1-44.9172.1170.40000111.2H820 L821 T826 L827 L828 A836 L840 R856H820-V824 WeakPolarHBondContact O-CG2 3.47Å; H820-V824 PolarHBondContact O-N 3.3Å; L821-V824 PolarHBondContact O-N 2.99Å; V824-T826 VanDerWaalsContact C-N 3.26Å; V824-T826 PolarHBondContact O-N 3.11Å; V824-L827 PolarHBondContact O-N 2.98Å; V824-L828 HydrophobicContact CG1-CD1 3.86Å; V824-L828 HydrophobicContact CG1-CG 4.29Å; V824-L828 WeakPolarHBondContact O-CB 3.36Å; V824-L828 VanDerWaalsContact O-CG 3.3Å; V824-L828 WeakPolarHBondContact O-CG 3.38Å; V824-L828 PolarHBondContact O-N 3.48Å; V824-A836 HydrophobicContact CG1-CB 4.33Å; V824-L840 HydrophobicContact CG1-CD1 4.14Å; V824-L840 HydrophobicContact CG2-CB 4.22Å; V824-R856 HydrophobicContact CG1-CB 4.27Å
825D92.4Very high90.5Very high0 Ų036.8 Ų36.80%020%0.199CC..Hα-helixtrans-57.4-41.2176.6-69.6-23.4000111.3R780 L783 L821 L822 L828 A829 R856 F888R780-D825 IonicContact NH1-OD2 2.88Å; R780-D825 PolarHBondContact NH1-OD2 2.93Å; R780-D825 VanDerWaalsContact NH1-OD2 3.15Å; L783-D825 HydrophobicContact CD2-CB 3.73Å; L821-D825 WeakPolarHBondContact O-CB 3.49Å; L821-D825 PolarHBondContact O-N 3.12Å; L822-D825 WeakPolarHBondContact O-CB 3.24Å; L822-D825 PolarHBondContact O-N 3.21Å; D825-L828 PolarHBondContact O-N 2.82Å; D825-A829 WeakPolarHBondContact O-CB 3.28Å; D825-A829 PolarHBondContact O-N 3.03Å; D825-R856 VanDerWaalsContact CG-NE 3.34Å; D825-R856 WeakPolarHBondContact OD1-CD 3.46Å; D825-R856 IonicContact OD1-CZ 3.73Å; D825-R856 IonicContact OD1-NE 3.38Å; D825-R856 PolarHBondContact OD1-NE 3.14Å; D825-R856 IonicContact OD1-NH2 3.65Å; D825-R856 IonicContact OD2-CZ 3.53Å; D825-R856 IonicContact OD2-NE 3.28Å; D825-R856 PolarHBondContact OD2-NE 3.11Å; D825-R856 IonicContact OD2-NH2 2.63Å; D825-R856 PolarHBondContact OD2-NH2 2.85Å; D825-F888 HydrophobicContact CB-CE1 4.14Å; D825-F888 HydrophobicContact CB-CZ 4.13Å
826T92.6Very high91Very high0 Ų033.8 Ų33.80%017%0.168CC..Hα-helixtrans-68.5-41.7179.1-48.70000111.8L799 A802 F803 L822 Y823 V824 L828 A829 K830L799-T826 HydrophobicContact CB-CG2 4.29Å; A802-T826 HydrophobicContact CB-CG2 3.59Å; F803-T826 HydrophobicContact CD1-CG2 3.97Å; F803-T826 HydrophobicContact CD2-CG2 3.92Å; F803-T826 HydrophobicContact CE1-CG2 3.84Å; F803-T826 HydrophobicContact CE2-CG2 3.79Å; F803-T826 HydrophobicContact CG-CG2 4.01Å; F803-T826 HydrophobicContact CZ-CG2 3.75Å; L822-T826 PolarHBondContact O-N 2.8Å; L822-T826 PolarHBondContact O-OG1 3.47Å; Y823-T826 PolarHBondContact O-N 3.26Å; V824-T826 VanDerWaalsContact C-N 3.26Å; V824-T826 PolarHBondContact O-N 3.11Å; T826-L828 VanDerWaalsContact C-N 3.35Å; T826-A829 PolarHBondContact O-N 2.92Å; T826-K830 PolarHBondContact O-N 2.9Å
827L92.2Very high91Very high6 Ų633.4 Ų33.43%0.03117%0.168CC..Hα-helixtrans-64.8-38.4174.6-72.2172.1000112.3F803 Y823 V824 K830 G831 D832 A835 A836F803-L827 HydrophobicContact CE1-CD2 3.78Å; F803-L827 HydrophobicContact CE1-CG 4.23Å; F803-L827 HydrophobicContact CZ-CD2 4.04Å; Y823-L827 HydrophobicContact CD1-CD1 3.88Å; Y823-L827 HydrophobicContact CE1-CD1 3.49Å; Y823-L827 VanDerWaalsContact CE1-CD1 3.49Å; Y823-L827 HydrophobicContact CE1-CG 4.22Å; Y823-L827 WeakPolarHBondContact O-CG 3.09Å; Y823-L827 PolarHBondContact O-N 3.38Å; V824-L827 PolarHBondContact O-N 2.98Å; L827-K830 PolarHBondContact O-N 3.02Å; L827-G831 PolarHBondContact O-N 3.24Å; L827-D832 HydrophobicContact CD2-CB 4.15Å; L827-D832 PolarHBondContact O-N 3.19Å; L827-A835 HydrophobicContact CD1-CB 4.11Å; L827-A835 HydrophobicContact CD2-CB 4.22Å; L827-A836 HydrophobicContact CB-CB 3.88Å; L827-A836 HydrophobicContact CD1-CB 4.41Å
828L91.4Very high91.1Very high0 Ų034.1 Ų34.10%017%0.174CC..Hα-helixtrans-66.8-40.7175.5-72.6173.7000111.8V824 D825 T826 K830 G831 A836 V859 V860 L892V824-L828 HydrophobicContact CG1-CD1 3.86Å; V824-L828 HydrophobicContact CG1-CG 4.29Å; V824-L828 WeakPolarHBondContact O-CB 3.36Å; V824-L828 VanDerWaalsContact O-CG 3.3Å; V824-L828 WeakPolarHBondContact O-CG 3.38Å; V824-L828 PolarHBondContact O-N 3.48Å; D825-L828 PolarHBondContact O-N 2.82Å; T826-L828 VanDerWaalsContact C-N 3.35Å; L828-K830 VanDerWaalsContact C-N 3.28Å; L828-K830 PolarHBondContact O-N 3.36Å; L828-G831 PolarHBondContact O-N 3.23Å; L828-G831 VanDerWaalsContact O-N 3.08Å; L828-A836 HydrophobicContact CD2-CB 3.87Å; L828-A836 HydrophobicContact CG-CB 3.98Å; L828-V859 HydrophobicContact CD1-CB 4.2Å; L828-V859 HydrophobicContact CD1-CG1 3.86Å; L828-V859 HydrophobicContact CD2-CG1 4.2Å; L828-V860 HydrophobicContact CD2-CG2 3.78Å; L828-L892 HydrophobicContact CB-CD1 4.33Å; L828-L892 HydrophobicContact CD1-CD1 4.48Å
829A90.4Very high91.2Very high0 Ų029 Ų290%016%0.156CC..Hα-helixtrans-62.5-35.8173.900000112.2L783 V787 P793 C794 L799 D825 T826 G831 L892L783-A829 HydrophobicContact CD1-CB 3.88Å; V787-A829 HydrophobicContact CG2-CB 3.85Å; P793-A829 WeakPolarHBondContact CA-O 3.33Å; C794-A829 PolarHBondContact N-O 3.15Å; L799-A829 HydrophobicContact CD1-CB 4.14Å; L799-A829 HydrophobicContact CD2-CB 4.01Å; D825-A829 WeakPolarHBondContact O-CB 3.28Å; D825-A829 PolarHBondContact O-N 3.03Å; T826-A829 PolarHBondContact O-N 2.92Å; A829-G831 VanDerWaalsContact C-N 3.31Å; A829-L892 HydrophobicContact CB-CD2 3.77Å
830K90.2Very high91.1Very high58 Ų5828.7 Ų28.725%0.25216%0.155SC..Hα-helixtrans-69.4-26.7173-177.4169.81721560113.1P793 D796 L799 F803 T826 L827 L828 D832P793-K830 WeakPolarHBondContact CB-O 3.25Å; D796-K830 VanDerWaalsContact CG-NZ 3.3Å; D796-K830 VanDerWaalsContact OD1-CD 3.23Å; D796-K830 WeakPolarHBondContact OD1-CD 3.43Å; D796-K830 WeakPolarHBondContact OD1-CE 3.25Å; D796-K830 IonicContact OD1-NZ 2.69Å; D796-K830 PolarHBondContact OD1-NZ 3Å; D796-K830 IonicContact OD2-NZ 3.61Å; D796-K830 PolarHBondContact OD2-NZ 2.69Å; D796-K830 VanDerWaalsContact OD2-NZ 3.1Å; L799-K830 HydrophobicContact CD1-CB 3.61Å; L799-K830 HydrophobicContact CD1-CG 4.44Å; F803-K830 HydrophobicContact CE2-CD 4.02Å; F803-K830 HydrophobicContact CZ-CB 4.41Å; F803-K830 HydrophobicContact CZ-CD 3.92Å; T826-K830 PolarHBondContact O-N 2.9Å; L827-K830 PolarHBondContact O-N 3.02Å; L828-K830 VanDerWaalsContact C-N 3.28Å; L828-K830 PolarHBondContact O-N 3.36Å; K830-D832 WeakPolarHBondContact CD-OD2 3.32Å; K830-D832 WeakPolarHBondContact CE-OD2 3.38Å; K830-D832 IonicContact NZ-OD2 2.68Å
831G87.8Confident91Very high22 Ų2229.9 Ų29.923%0.22717%0.165CC..THydrogen-bonded Turntrans909.5-172.500000114.4L827 L828 A829 V833L827-G831 PolarHBondContact O-N 3.24Å; L828-G831 PolarHBondContact O-N 3.23Å; L828-G831 VanDerWaalsContact O-N 3.08Å; A829-G831 VanDerWaalsContact C-N 3.31Å; G831-V833 PolarHBondContact O-N 3.1Å
832D90.3Very high90.9Very high69 Ų6937.3 Ų37.337%0.36920%0.2SC..  trans-81.361.7177.1-79.7-19.8000111.4L827 K830 K834 A835 A836L827-D832 HydrophobicContact CD2-CB 4.15Å; L827-D832 PolarHBondContact O-N 3.19Å; K830-D832 WeakPolarHBondContact CD-OD2 3.32Å; K830-D832 WeakPolarHBondContact CE-OD2 3.38Å; K830-D832 IonicContact NZ-OD2 2.68Å; D832-K834 VanDerWaalsContact C-N 3.25Å; D832-K834 PolarHBondContact O-N 3.28Å; D832-A835 HydrophobicContact CB-CB 4.32Å; D832-A835 PolarHBondContact O-N 3.09Å; D832-A835 VanDerWaalsContact O-N 3.14Å; D832-A836 PolarHBondContact O-N 3.03Å
833V89.7Confident90.8Very high16 Ų1640 Ų4010%0.09722%0.216CC..Hα-helixtrans-61.8-32-171.2-177.30000112.6G831 S837 V860 W863 Q864G831-V833 PolarHBondContact O-N 3.1Å; V833-S837 VanDerWaalsContact O-CB 3.28Å; V833-S837 WeakPolarHBondContact O-CB 3.26Å; V833-S837 PolarHBondContact O-N 3.27Å; V833-V860 HydrophobicContact CG1-CB 4.35Å; V833-V860 HydrophobicContact CG1-CG1 3.8Å; V833-W863 HydrophobicContact CB-CB 4.37Å; V833-W863 HydrophobicContact CG1-CB 3.8Å; V833-W863 HydrophobicContact CG1-CG 4.49Å; V833-W863 HydrophobicContact CG2-CB 3.63Å; V833-W863 HydrophobicContact CG2-CD2 3.46Å; V833-W863 VanDerWaalsContact CG2-CD2 3.46Å; V833-W863 HydrophobicContact CG2-CE3 3.52Å; V833-W863 HydrophobicContact CG2-CG 3.57Å; V833-W863 HydrophobicContact CG2-CZ3 4.26Å; V833-Q864 HydrophobicContact CG1-CG 3.86Å
834K89.3Confident90.5Very high183 Ų18339.1 Ų39.180%0.79621%0.213SC*.Hα-helixtrans-66-45.3177.2-69-177.4-179.1177.30111.6D832 S837 S838D832-K834 VanDerWaalsContact C-N 3.25Å; D832-K834 PolarHBondContact O-N 3.28Å; K834-S837 PolarHBondContact O-N 3.4Å; K834-S838 PolarHBondContact O-N 3.47Å; K834-S838 PolarHBondContact O-OG 3.41Å
835A91.4Very high90.2Very high38 Ų3840.7 Ų40.731%0.31423%0.23SC..Hα-helixtrans-68.8-39.9178.200000111.2L827 D832 S837 S838 H839L827-A835 HydrophobicContact CD1-CB 4.11Å; L827-A835 HydrophobicContact CD2-CB 4.22Å; D832-A835 HydrophobicContact CB-CB 4.32Å; D832-A835 PolarHBondContact O-N 3.09Å; D832-A835 VanDerWaalsContact O-N 3.14Å; A835-S837 VanDerWaalsContact C-N 3.34Å; A835-S837 PolarHBondContact O-N 2.87Å; A835-S838 WeakPolarHBondContact CA-OG 3.17Å; A835-S838 PolarHBondContact O-N 3.05Å; A835-S838 PolarHBondContact O-OG 2.94Å; A835-H839 VanDerWaalsContact O-CB 3.29Å; A835-H839 WeakPolarHBondContact O-CB 3.39Å; A835-H839 PolarHBondContact O-N 3.01Å
836A92Very high89.7Confident0 Ų048.6 Ų48.60%027%0.267CS..Hα-helixtrans-59.3-46.3173.700000111.2V824 L827 L828 D832 L840 V860V824-A836 HydrophobicContact CG1-CB 4.33Å; L827-A836 HydrophobicContact CB-CB 3.88Å; L827-A836 HydrophobicContact CD1-CB 4.41Å; L828-A836 HydrophobicContact CD2-CB 3.87Å; L828-A836 HydrophobicContact CG-CB 3.98Å; D832-A836 PolarHBondContact O-N 3.03Å; A836-L840 VanDerWaalsContact O-CB 3.28Å; A836-L840 WeakPolarHBondContact O-CB 3.5Å; A836-L840 PolarHBondContact O-N 2.91Å; A836-V860 HydrophobicContact CB-CG2 4.35Å
837S89.6Confident89.1Confident27 Ų2755.9 Ų55.919%0.18930%0.301CS..Hα-helixtrans-63-46.1177.7-1720000112.3V833 K834 A835 L840 C841V833-S837 VanDerWaalsContact O-CB 3.28Å; V833-S837 WeakPolarHBondContact O-CB 3.26Å; V833-S837 PolarHBondContact O-N 3.27Å; K834-S837 PolarHBondContact O-N 3.4Å; A835-S837 VanDerWaalsContact C-N 3.34Å; A835-S837 PolarHBondContact O-N 2.87Å; S837-L840 PolarHBondContact O-N 3.21Å; S837-C841 WeakPolarHBondContact O-CB 3.13Å; S837-C841 PolarHBondContact O-N 2.86Å; S837-C841 PolarHBondContact O-SG 3.28Å
838S91.4Very high88.7Confident72 Ų7255.7 Ų55.750%0.50330%0.3SS..Hα-helixtrans-64.6-42.4-179.4620000111.6K834 A835 C841 Q842K834-S838 PolarHBondContact O-N 3.47Å; K834-S838 PolarHBondContact O-OG 3.41Å; A835-S838 WeakPolarHBondContact CA-OG 3.17Å; A835-S838 PolarHBondContact O-N 3.05Å; A835-S838 PolarHBondContact O-OG 2.94Å; S838-C841 PolarHBondContact O-N 2.76Å; S838-Q842 WeakPolarHBondContact O-CB 3.36Å; S838-Q842 PolarHBondContact O-N 2.97Å
839H91.6Very high88.3Confident28 Ų2867.4 Ų67.413%0.1334%0.344CS..Hα-helixtrans-67.9-41.5179.8-168.9-69.5000111.9H820 Y823 A835 Q842 V843H820-H839 AromaticContact CG-CE1 3.97Å; H820-H839 AromaticContact ND1-CE1 3.23Å; H820-H839 PolarHBondContact ND1-CE1 2.74Å; H820-H839 AromaticContact ND1-NE2 3.84Å; Y823-H839 AromaticContact CD1-CD2 3.47Å; Y823-H839 VanDerWaalsContact CD1-CD2 3.47Å; Y823-H839 WeakPolarHBondContact CD1-CD2 3.29Å; Y823-H839 AromaticContact CD1-CE1 3.88Å; Y823-H839 AromaticContact CD1-CG 3.92Å; Y823-H839 AromaticContact CD1-NE2 3.44Å; Y823-H839 WeakPolarHBondContact CD1-NE2 3.42Å; Y823-H839 AromaticContact CE1-CD2 3.43Å; Y823-H839 VanDerWaalsContact CE1-CD2 3.43Å; Y823-H839 WeakPolarHBondContact CE1-CD2 3.37Å; Y823-H839 AromaticContact CE1-NE2 3.78Å; A835-H839 VanDerWaalsContact O-CB 3.29Å; A835-H839 WeakPolarHBondContact O-CB 3.39Å; A835-H839 PolarHBondContact O-N 3.01Å; H839-Q842 PolarHBondContact O-N 3.01Å; H839-V843 WeakPolarHBondContact O-CG2 3.41Å; H839-V843 PolarHBondContact O-N 3.47Å; H839-V843 VanDerWaalsContact O-N 3.15Å
840L90.5Very high88Confident0 Ų070.5 Ų70.50%036%0.361CS..Hα-helixtrans-63.4-43.8176.5-169.6147.3000111.3V824 A836 S837 Q842 V843 F844 P848 R856 L857V824-L840 HydrophobicContact CG1-CD1 4.14Å; V824-L840 HydrophobicContact CG2-CB 4.22Å; A836-L840 VanDerWaalsContact O-CB 3.28Å; A836-L840 WeakPolarHBondContact O-CB 3.5Å; A836-L840 PolarHBondContact O-N 2.91Å; S837-L840 PolarHBondContact O-N 3.21Å; L840-Q842 VanDerWaalsContact C-N 3.34Å; L840-Q842 PolarHBondContact O-N 3.28Å; L840-V843 PolarHBondContact O-N 2.97Å; L840-F844 HydrophobicContact CG-CD2 4.33Å; L840-F844 PolarHBondContact O-N 3.05Å; L840-P848 HydrophobicContact CD2-CG 4.29Å; L840-R856 HydrophobicContact CD1-CB 3.83Å; L840-L857 HydrophobicContact CD1-CB 4.33Å; L840-L857 HydrophobicContact CD2-CB 3.96Å; L840-L857 HydrophobicContact CD2-CD1 4.17Å; L840-L857 HydrophobicContact CD2-CD2 4.34Å; L840-L857 HydrophobicContact CD2-CG 4.37Å
841C88.9Confident87.7Confident46 Ų4669.5 Ų69.531%0.31136%0.363SS..Hα-helixtrans-63.2-37.6175.2-71.80000112.9S837 S838 G845S837-C841 WeakPolarHBondContact O-CB 3.13Å; S837-C841 PolarHBondContact O-N 2.86Å; S837-C841 PolarHBondContact O-SG 3.28Å; S838-C841 PolarHBondContact O-N 2.76Å; C841-G845 CarbonylContact O-C 3.52Å; C841-G845 WeakPolarHBondContact O-CA 3.45Å; C841-G845 PolarHBondContact O-N 3.42Å
842Q89.8Confident87.7Confident159 Ų15972.6 Ų72.674%0.74337%0.372SS*.Hα-helixtrans-66.2-40.2180-176178.84.500112.3S838 H839 L840S838-Q842 WeakPolarHBondContact O-CB 3.36Å; S838-Q842 PolarHBondContact O-N 2.97Å; H839-Q842 PolarHBondContact O-N 3.01Å; L840-Q842 VanDerWaalsContact C-N 3.34Å; L840-Q842 PolarHBondContact O-N 3.28Å
843V89.1Confident87.6Confident56 Ų5669.3 Ų69.334%0.33935%0.354SS..Hα-helixtrans-88.9-42.2-174.5178.20000112.3H820 H839 L840H820-V843 HydrophobicContact CB-CG1 4.09Å; H820-V843 HydrophobicContact CB-CG2 4.36Å; H839-V843 WeakPolarHBondContact O-CG2 3.41Å; H839-V843 PolarHBondContact O-N 3.47Å; H839-V843 VanDerWaalsContact O-N 3.15Å; L840-V843 PolarHBondContact O-N 2.97Å
844F88.6Confident87.5Confident41 Ų4171 Ų7118%0.1836%0.361CS..Hα-helixtrans-108.9-1.7-172.1-59.7-86.8000114.3P817 H820 L821 L840 P848 A853P817-F844 HydrophobicContact CB-CE1 3.63Å; P817-F844 HydrophobicContact CB-CZ 3.7Å; H820-F844 HydrophobicContact CB-CE2 4.14Å; H820-F844 HydrophobicContact CB-CZ 4.43Å; L821-F844 HydrophobicContact CD1-CZ 4.29Å; L821-F844 HydrophobicContact CD2-CE2 3.77Å; L821-F844 HydrophobicContact CD2-CZ 3.73Å; L821-F844 HydrophobicContact CG-CE2 4.14Å; L821-F844 HydrophobicContact CG-CZ 3.75Å; L840-F844 HydrophobicContact CG-CD2 4.33Å; L840-F844 PolarHBondContact O-N 3.05Å; F844-P848 HydrophobicContact CB-CB 3.84Å; F844-A853 HydrophobicContact CB-CB 4.41Å; F844-A853 HydrophobicContact CD1-CB 3.88Å; F844-A853 HydrophobicContact CD2-CB 4.22Å; F844-A853 HydrophobicContact CE1-CB 4.15Å; F844-A853 HydrophobicContact CE2-CB 4.49Å; F844-A853 HydrophobicContact CG-CB 3.92Å; F844-A853 HydrophobicContact CZ-CB 4.47Å
845G85.2Confident87.5Confident33 Ų3362.3 Ų62.334%0.3432%0.323SS..  trans79.6176.6-173.300000113.1C841 E847C841-G845 CarbonylContact O-C 3.52Å; C841-G845 WeakPolarHBondContact O-CA 3.45Å; C841-G845 PolarHBondContact O-N 3.42Å; G845-E847 VanDerWaalsContact C-N 3.29Å; G845-E847 PolarHBondContact O-N 2.9Å
846Q81.5Confident87.5Confident166 Ų16660.7 Ų60.778%0.77631%0.309SS*.SBendtrans-66.6-31.4-179.1-65.7-175.93.200112.8
847E80.4Confident87.4Confident153 Ų15361.1 Ų61.172%0.71531%0.311SS*.SBendtrans-123.791.8173.6-67.4-150.214100110.4G845 R849 R874G845-E847 VanDerWaalsContact C-N 3.29Å; G845-E847 PolarHBondContact O-N 2.9Å; E847-R849 PolarHBondContact O-N 3.34Å; E847-R874 IonicContact OE1-NH2 3.76Å
848P84Confident87.3Confident3 Ų359.9 Ų59.92%0.01930%0.302CS..  trans-59137.8177.818.9-29.7000111.1L840 F844 A853 Q854 L857L840-P848 HydrophobicContact CD2-CG 4.29Å; F844-P848 HydrophobicContact CB-CB 3.84Å; P848-A853 HydrophobicContact CB-CB 3.57Å; P848-A853 HydrophobicContact CG-CB 4.13Å; P848-Q854 HydrophobicContact CB-CG 4.24Å; P848-Q854 HydrophobicContact CG-CB 4.44Å; P848-Q854 HydrophobicContact CG-CG 3.83Å; P848-Q854 VanDerWaalsContact O-CD 3.32Å; P848-Q854 WeakPolarHBondContact O-CG 3.3Å; P848-Q854 PolarHBondContact O-NE2 3.17Å; P848-L857 HydrophobicContact CG-CD2 4.03Å
849R82.5Confident87.3Confident246 Ų24656.4 Ų56.493%0.92828%0.278SS*.SBendtrans-80.9-26.8171.3-68.8-175.7179.2173.50.2113E847E847-R849 PolarHBondContact O-N 3.34Å
850D84.1Confident87.2Confident65 Ų6555.1 Ų55.135%0.34827%0.272SS..SBendtrans-73.2127179.2-175.94.7000110.6E852 A853 Q854D850-E852 PolarHBondContact O-N 2.92Å; D850-E852 PolarHBondContact OD1-N 3.26Å; D850-A853 HydrophobicContact CB-CB 4.13Å; D850-A853 PolarHBondContact O-N 3.3Å; D850-Q854 WeakPolarHBondContact O-CG 3.3Å; D850-Q854 PolarHBondContact O-N 2.91Å
851A84.8Confident87.1Confident36 Ų3656.7 Ų56.730%0.29828%0.28SS..Hα-helixtrans-60.1-34.4-17900000112Q854 A855 K877 V878A851-Q854 PolarHBondContact O-N 2.84Å; A851-A855 WeakPolarHBondContact O-CB 3.45Å; A851-A855 PolarHBondContact O-N 2.69Å; A851-K877 HydrophobicContact CB-CB 4.46Å; A851-V878 HydrophobicContact CB-CG2 4.41Å; A851-V878 WeakPolarHBondContact O-CG2 3.33Å
852E86.6Confident87.1Confident88 Ų8854.7 Ų54.741%0.41127%0.266SS..Hα-helixtrans-69-36.9177.8-83.5-162.8-148.600113.1L821 D850 R856L821-E852 HydrophobicContact CD1-CB 4.19Å; D850-E852 PolarHBondContact O-N 2.92Å; D850-E852 PolarHBondContact OD1-N 3.26Å; E852-R856 PolarHBondContact O-N 3.12Å; E852-R856 PolarHBondContact O-NH1 3.11Å; E852-R856 IonicContact OE2-NH1 3.7Å; E852-R856 PolarHBondContact OE2-NH1 3.05Å
853A88Confident86.9Confident0 Ų049 Ų490%024%0.238CC..Hα-helixtrans-74.5-39.4174.600000111.1L821 F844 P848 D850 A855 R856 L857L821-A853 HydrophobicContact CD2-CB 3.89Å; F844-A853 HydrophobicContact CB-CB 4.41Å; F844-A853 HydrophobicContact CD1-CB 3.88Å; F844-A853 HydrophobicContact CD2-CB 4.22Å; F844-A853 HydrophobicContact CE1-CB 4.15Å; F844-A853 HydrophobicContact CE2-CB 4.49Å; F844-A853 HydrophobicContact CG-CB 3.92Å; F844-A853 HydrophobicContact CZ-CB 4.47Å; P848-A853 HydrophobicContact CB-CB 3.57Å; P848-A853 HydrophobicContact CG-CB 4.13Å; D850-A853 HydrophobicContact CB-CB 4.13Å; D850-A853 PolarHBondContact O-N 3.3Å; A853-A855 VanDerWaalsContact C-N 3.31Å; A853-A855 PolarHBondContact O-N 3Å; A853-R856 PolarHBondContact O-N 2.97Å; A853-L857 PolarHBondContact O-N 2.72Å
854Q88.3Confident86.7Confident51 Ų5149.3 Ų49.324%0.23824%0.235CC..Hα-helixtrans-57-44.6173.2-75.1-179.7-7.300111.8P848 D850 A851 R856 L857 G858 R874P848-Q854 HydrophobicContact CB-CG 4.24Å; P848-Q854 HydrophobicContact CG-CB 4.44Å; P848-Q854 HydrophobicContact CG-CG 3.83Å; P848-Q854 VanDerWaalsContact O-CD 3.32Å; P848-Q854 WeakPolarHBondContact O-CG 3.3Å; P848-Q854 PolarHBondContact O-NE2 3.17Å; D850-Q854 WeakPolarHBondContact O-CG 3.3Å; D850-Q854 PolarHBondContact O-N 2.91Å; A851-Q854 PolarHBondContact O-N 2.84Å; Q854-R856 PolarHBondContact O-N 3.44Å; Q854-L857 WeakPolarHBondContact O-CB 3.37Å; Q854-L857 PolarHBondContact O-N 3.17Å; Q854-G858 PolarHBondContact O-N 3.5Å; Q854-R874 WeakPolarHBondContact O-CB 3.43Å
855A88.9Confident86.3Confident0 Ų052.6 Ų52.60%025%0.251CS..Hα-helixtrans-64.3-39.3-179.500000112.7A851 A853 G858 V859 L875 V878 L889A851-A855 WeakPolarHBondContact O-CB 3.45Å; A851-A855 PolarHBondContact O-N 2.69Å; A853-A855 VanDerWaalsContact C-N 3.31Å; A853-A855 PolarHBondContact O-N 3Å; A855-G858 CarbonylContact O-C 3.47Å; A855-G858 WeakPolarHBondContact O-CA 3.41Å; A855-G858 PolarHBondContact O-N 2.71Å; A855-G858 VanDerWaalsContact O-N 3.15Å; A855-V859 PolarHBondContact O-N 3.32Å; A855-L875 HydrophobicContact CB-CD2 4.21Å; A855-L875 WeakPolarHBondContact O-CD2 3.43Å; A855-V878 HydrophobicContact CB-CB 4.35Å; A855-V878 HydrophobicContact CB-CG2 3.44Å; A855-V878 VanDerWaalsContact CB-CG2 3.44Å; A855-L889 HydrophobicContact CB-CD1 3.62Å
856R91.1Very high85.4Confident4 Ų460.9 Ų60.92%0.01527%0.272CS..Hα-helixtrans-68-35.8174.3-73165.5178.895.2-5.3112.8V824 D825 L840 E852 A853 Q854 G858 V859 V860 L889V824-R856 HydrophobicContact CG1-CB 4.27Å; D825-R856 VanDerWaalsContact CG-NE 3.34Å; D825-R856 WeakPolarHBondContact OD1-CD 3.46Å; D825-R856 IonicContact OD1-CZ 3.73Å; D825-R856 IonicContact OD1-NE 3.38Å; D825-R856 PolarHBondContact OD1-NE 3.14Å; D825-R856 IonicContact OD1-NH2 3.65Å; D825-R856 IonicContact OD2-CZ 3.53Å; D825-R856 IonicContact OD2-NE 3.28Å; D825-R856 PolarHBondContact OD2-NE 3.11Å; D825-R856 IonicContact OD2-NH2 2.63Å; D825-R856 PolarHBondContact OD2-NH2 2.85Å; L840-R856 HydrophobicContact CD1-CB 3.83Å; E852-R856 PolarHBondContact O-N 3.12Å; E852-R856 PolarHBondContact O-NH1 3.11Å; E852-R856 IonicContact OE2-NH1 3.7Å; E852-R856 PolarHBondContact OE2-NH1 3.05Å; A853-R856 PolarHBondContact O-N 2.97Å; Q854-R856 PolarHBondContact O-N 3.44Å; R856-G858 VanDerWaalsContact C-N 3.28Å; R856-V859 WeakPolarHBondContact O-CB 3.27Å; R856-V859 PolarHBondContact O-N 2.84Å; R856-V860 WeakPolarHBondContact O-CG2 3.38Å; R856-V860 PolarHBondContact O-N 2.71Å; R856-L889 HydrophobicContact CG-CD2 3.71Å
857L89.9Confident85.3Confident10 Ų1056.4 Ų56.45%0.05225%0.254CS..Hα-helixtrans-63.4-38.1169.9-177.258.7000111L840 P848 A853 Q854 V859 V860 E861L840-L857 HydrophobicContact CD1-CB 4.33Å; L840-L857 HydrophobicContact CD2-CB 3.96Å; L840-L857 HydrophobicContact CD2-CD1 4.17Å; L840-L857 HydrophobicContact CD2-CD2 4.34Å; L840-L857 HydrophobicContact CD2-CG 4.37Å; P848-L857 HydrophobicContact CG-CD2 4.03Å; A853-L857 PolarHBondContact O-N 2.72Å; Q854-L857 WeakPolarHBondContact O-CB 3.37Å; Q854-L857 PolarHBondContact O-N 3.17Å; L857-V859 PolarHBondContact O-N 2.96Å; L857-V860 WeakPolarHBondContact O-CB 3.48Å; L857-V860 PolarHBondContact O-N 2.63Å; L857-E861 WeakPolarHBondContact O-CG 3.45Å; L857-E861 PolarHBondContact O-N 3Å
858G88.8Confident85.5Confident0 Ų053.9 Ų53.90%024%0.238CC..Hα-helixtrans-58.1-44169.300000112.5Q854 A855 R856 E861 T862 A871Q854-G858 PolarHBondContact O-N 3.5Å; A855-G858 CarbonylContact O-C 3.47Å; A855-G858 WeakPolarHBondContact O-CA 3.41Å; A855-G858 PolarHBondContact O-N 2.71Å; A855-G858 VanDerWaalsContact O-N 3.15Å; R856-G858 VanDerWaalsContact C-N 3.28Å; G858-E861 PolarHBondContact O-N 3.11Å; G858-T862 WeakPolarHBondContact O-CG2 3.36Å; G858-T862 PolarHBondContact O-N 3.05Å; G858-A871 WeakPolarHBondContact O-CB 3.39Å
859V90.2Very high85.3Confident0 Ų061.3 Ų61.30%027%0.265CS..Hα-helixtrans-58.4-48.7173175.90000111L828 A855 R856 L857 E861 T862 W863 L875 L889 L892 I893L828-V859 HydrophobicContact CD1-CB 4.2Å; L828-V859 HydrophobicContact CD1-CG1 3.86Å; L828-V859 HydrophobicContact CD2-CG1 4.2Å; A855-V859 PolarHBondContact O-N 3.32Å; R856-V859 WeakPolarHBondContact O-CB 3.27Å; R856-V859 PolarHBondContact O-N 2.84Å; L857-V859 PolarHBondContact O-N 2.96Å; V859-E861 VanDerWaalsContact C-N 3.31Å; V859-E861 PolarHBondContact O-N 2.76Å; V859-T862 PolarHBondContact O-N 2.95Å; V859-T862 PolarHBondContact O-OG1 3.3Å; V859-W863 PolarHBondContact O-N 3.4Å; V859-W863 VanDerWaalsContact O-N 3.09Å; V859-L875 HydrophobicContact CG2-CD2 3.96Å; V859-L889 HydrophobicContact CG2-CB 4.16Å; V859-L889 HydrophobicContact CG2-CD2 4.3Å; V859-L892 HydrophobicContact CG1-CB 4.25Å; V859-I893 HydrophobicContact CB-CG1 4.47Å; V859-I893 HydrophobicContact CG1-CG1 3.91Å; V859-I893 HydrophobicContact CG2-CD1 4.33Å; V859-I893 HydrophobicContact CG2-CG1 4.26Å
860V90.3Very high85.4Confident1 Ų151 Ų511%0.00623%0.231CC..Hα-helixtrans-55.1-45.1176.1169.40000111.6L828 V833 A836 R856 L857 W863 Q864L828-V860 HydrophobicContact CD2-CG2 3.78Å; V833-V860 HydrophobicContact CG1-CB 4.35Å; V833-V860 HydrophobicContact CG1-CG1 3.8Å; A836-V860 HydrophobicContact CB-CG2 4.35Å; R856-V860 WeakPolarHBondContact O-CG2 3.38Å; R856-V860 PolarHBondContact O-N 2.71Å; L857-V860 WeakPolarHBondContact O-CB 3.48Å; L857-V860 PolarHBondContact O-N 2.63Å; V860-W863 WeakPolarHBondContact O-CB 3.4Å; V860-W863 PolarHBondContact O-N 3.05Å; V860-Q864 WeakPolarHBondContact O-CG 3.5Å; V860-Q864 PolarHBondContact O-N 2.72Å
861E88.2Confident85.5Confident33 Ų3348 Ų4815%0.15422%0.215CC..Hα-helixtrans-67.1-36.9-179.9-73.7173.7150.200112.7L857 G858 V859 W863 Q864 Q865 A871 R874L857-E861 WeakPolarHBondContact O-CG 3.45Å; L857-E861 PolarHBondContact O-N 3Å; G858-E861 PolarHBondContact O-N 3.11Å; V859-E861 VanDerWaalsContact C-N 3.31Å; V859-E861 PolarHBondContact O-N 2.76Å; E861-W863 VanDerWaalsContact C-N 3.3Å; E861-W863 PolarHBondContact O-N 3.28Å; E861-Q864 PolarHBondContact O-N 2.96Å; E861-Q865 PolarHBondContact O-N 3.44Å; E861-Q865 VanDerWaalsContact O-N 3.08Å; E861-A871 HydrophobicContact CB-CB 3.9Å; E861-R874 IonicContact OE1-CZ 2.98Å; E861-R874 IonicContact OE1-NH1 3.23Å; E861-R874 PolarHBondContact OE1-NH1 3.36Å; E861-R874 IonicContact OE1-NH2 2.7Å; E861-R874 WeakPolarHBondContact OE2-CD 3.42Å; E861-R874 IonicContact OE2-CZ 2.95Å; E861-R874 IonicContact OE2-NE 3.79Å; E861-R874 IonicContact OE2-NH1 3.61Å; E861-R874 PolarHBondContact OE2-NH1 2.98Å
862T88.1Confident85.5Confident4 Ų446.2 Ų46.23%0.02520%0.201CC..Hα-helixtrans-62.4-39.417362.10000112.2G858 V859 Q865 A871 I893 M901G858-T862 WeakPolarHBondContact O-CG2 3.36Å; G858-T862 PolarHBondContact O-N 3.05Å; V859-T862 PolarHBondContact O-N 2.95Å; V859-T862 PolarHBondContact O-OG1 3.3Å; T862-Q865 PolarHBondContact O-N 3.3Å; T862-A871 HydrophobicContact CG2-CB 3.64Å; T862-I893 HydrophobicContact CG2-CD1 4.22Å; T862-M901 HydrophobicContact CG2-CB 3.93Å; T862-M901 HydrophobicContact CG2-CG 3.67Å
863W86.1Confident85.5Confident40 Ų4046.9 Ų46.915%0.15220%0.2CC..Hα-helixtrans-64-43.8176-92.990.5000112.8V792 P793 V833 V859 V860 E861 Q865 L892 P894 Q897V792-W863 HydrophobicContact CG1-CH2 4.27Å; V792-W863 HydrophobicContact CG1-CZ2 3.66Å; P793-W863 HydrophobicContact CB-CH2 4.41Å; V833-W863 HydrophobicContact CB-CB 4.37Å; V833-W863 HydrophobicContact CG1-CB 3.8Å; V833-W863 HydrophobicContact CG1-CG 4.49Å; V833-W863 HydrophobicContact CG2-CB 3.63Å; V833-W863 HydrophobicContact CG2-CD2 3.46Å; V833-W863 VanDerWaalsContact CG2-CD2 3.46Å; V833-W863 HydrophobicContact CG2-CE3 3.52Å; V833-W863 HydrophobicContact CG2-CG 3.57Å; V833-W863 HydrophobicContact CG2-CZ3 4.26Å; V859-W863 PolarHBondContact O-N 3.4Å; V859-W863 VanDerWaalsContact O-N 3.09Å; V860-W863 WeakPolarHBondContact O-CB 3.4Å; V860-W863 PolarHBondContact O-N 3.05Å; E861-W863 VanDerWaalsContact C-N 3.3Å; E861-W863 PolarHBondContact O-N 3.28Å; W863-Q865 PolarHBondContact O-N 3.07Å; W863-L892 PolarHBondContact NE1-O 3.29Å; W863-P894 HydrophobicContact CD2-CG 3.98Å; W863-P894 HydrophobicContact CE3-CG 4.07Å; W863-P894 HydrophobicContact CH2-CG 3.53Å; W863-P894 VanDerWaalsContact CZ2-CD 3.44Å; W863-P894 HydrophobicContact CZ2-CG 3.41Å; W863-P894 VanDerWaalsContact CZ2-CG 3.41Å; W863-P894 HydrophobicContact CZ3-CG 3.86Å; W863-Q897 PolarHBondContact O-NE2 3.41Å; W863-Q897 VanDerWaalsContact O-NE2 3.15Å
864Q84Confident85.5Confident61 Ų6148.8 Ų48.829%0.28521%0.207SC..Hα-helixtrans-76.6-8.4-179.6-66178.33.600113.5V833 V860 E861 R866V833-Q864 HydrophobicContact CG1-CG 3.86Å; V860-Q864 WeakPolarHBondContact O-CG 3.5Å; V860-Q864 PolarHBondContact O-N 2.72Å; E861-Q864 PolarHBondContact O-N 2.96Å; Q864-R866 HydrophobicContact CB-CG 4.05Å; Q864-R866 PolarHBondContact O-N 3.49Å; Q864-R866 VanDerWaalsContact O-N 3.1Å
865Q80.4Confident85.5Confident111 Ų11146.4 Ų46.452%0.51920%0.196SC..THydrogen-bonded Turntrans56.819.9-178.7-49.1-172.938.300115.1E861 T862 W863E861-Q865 PolarHBondContact O-N 3.44Å; E861-Q865 VanDerWaalsContact O-N 3.08Å; T862-Q865 PolarHBondContact O-N 3.3Å; W863-Q865 PolarHBondContact O-N 3.07Å
866R67.6Low85.5Confident206 Ų20646.8 Ų46.878%0.77720%0.199SC*.SBendtrans-70.7-59.7-175.7-73.5-178.7173.3-173-1.8112Q864Q864-R866 HydrophobicContact CB-CG 4.05Å; Q864-R866 PolarHBondContact O-N 3.49Å; Q864-R866 VanDerWaalsContact O-N 3.1Å
867D79.4Confident85.1Confident72 Ų7250.8 Ų50.839%0.38522%0.216SC..  trans-143.5106-178.4-178.65.4000110.9R869 S870 A871D867-R869 VanDerWaalsContact C-N 3.33Å; D867-R869 PolarHBondContact OD1-N 2.8Å; D867-S870 VanDerWaalsContact CB-OG 3.31Å; D867-S870 WeakPolarHBondContact CB-OG 3.48Å; D867-S870 PolarHBondContact O-OG 2.98Å; D867-S870 PolarHBondContact OD1-N 3.33Å; D867-S870 WeakPolarHBondContact OD2-CB 3.31Å; D867-S870 PolarHBondContact OD2-OG 3.48Å; D867-A871 VanDerWaalsContact O-CB 3.27Å; D867-A871 WeakPolarHBondContact O-CB 3.23Å; D867-A871 PolarHBondContact O-N 2.89Å
868R83.2Confident84.8Confident100 Ų10051.1 Ų51.138%0.37722%0.219SC..Hα-helixtrans-77.2-21.5-176.5-60.3176-173149.23.4112.2A872 A904R868-A872 WeakPolarHBondContact O-CB 3.35Å; R868-A872 PolarHBondContact O-N 3.2Å; R868-A872 VanDerWaalsContact O-N 3.11Å; R868-A904 HydrophobicContact CB-CB 3.77Å
869R81.3Confident84.1Confident159 Ų15952.8 Ų52.860%0.623%0.229SC*.Hα-helixtrans-79-50.2-178.6-65.9-177.2-174.7175.31.7110.5D867 A871 A872 Y873 E908D867-R869 VanDerWaalsContact C-N 3.33Å; D867-R869 PolarHBondContact OD1-N 2.8Å; R869-A871 VanDerWaalsContact C-N 3.29Å; R869-A871 PolarHBondContact O-N 2.94Å; R869-A872 PolarHBondContact O-N 3.1Å; R869-Y873 WeakPolarHBondContact O-CB 3.37Å; R869-Y873 PolarHBondContact O-N 3.42Å; R869-E908 IonicContact NE-OE2 2.75Å
870S83.8Confident82.7Confident31 Ų3156.8 Ų56.822%0.21727%0.27CS..Hα-helixtrans-62.1-38.4174.157.10000111.8D867 Y873 R874D867-S870 VanDerWaalsContact CB-OG 3.31Å; D867-S870 WeakPolarHBondContact CB-OG 3.48Å; D867-S870 PolarHBondContact O-OG 2.98Å; D867-S870 PolarHBondContact OD1-N 3.33Å; D867-S870 WeakPolarHBondContact OD2-CB 3.31Å; D867-S870 PolarHBondContact OD2-OG 3.48Å; S870-Y873 PolarHBondContact O-N 3.4Å; S870-R874 WeakPolarHBondContact O-CB 3.49Å; S870-R874 WeakPolarHBondContact O-CG 3.36Å; S870-R874 PolarHBondContact O-N 3.01Å
871A86.1Confident81.1Confident0 Ų065.9 Ų65.90%031%0.31CS..Hα-helixtrans-60.5-46.7174.400000112.9G858 E861 T862 D867 R869 Y873 R874 L875G858-A871 WeakPolarHBondContact O-CB 3.39Å; E861-A871 HydrophobicContact CB-CB 3.9Å; T862-A871 HydrophobicContact CG2-CB 3.64Å; D867-A871 VanDerWaalsContact O-CB 3.27Å; D867-A871 WeakPolarHBondContact O-CB 3.23Å; D867-A871 PolarHBondContact O-N 2.89Å; R869-A871 VanDerWaalsContact C-N 3.29Å; R869-A871 PolarHBondContact O-N 2.94Å; A871-Y873 VanDerWaalsContact C-N 3.35Å; A871-R874 PolarHBondContact O-N 3.48Å; A871-L875 WeakPolarHBondContact O-CG 3.26Å; A871-L875 PolarHBondContact O-N 3.06Å
872A86.2Confident79.6Confident0 Ų069 Ų690%033%0.328CS..Hα-helixtrans-62.4-42175.600000111.8R868 R869 L875 S876 M901 A905 L924R868-A872 WeakPolarHBondContact O-CB 3.35Å; R868-A872 PolarHBondContact O-N 3.2Å; R868-A872 VanDerWaalsContact O-N 3.11Å; R869-A872 PolarHBondContact O-N 3.1Å; A872-L875 PolarHBondContact O-N 3.42Å; A872-S876 WeakPolarHBondContact O-CB 3.32Å; A872-S876 PolarHBondContact O-N 2.93Å; A872-M901 HydrophobicContact CB-CG 4.29Å; A872-M901 HydrophobicContact CB-SD 4.22Å; A872-A905 HydrophobicContact CB-CB 3.69Å; A872-L924 HydrophobicContact CB-CD2 3.91Å; A872-L924 WeakPolarHBondContact O-CD2 3.35Å
873Y86.8Confident78.6Confident101 Ų10172.4 Ų72.440%0.39635%0.351SS..Hα-helixtrans-62.1-42.4176.2-178.7-102.4000112.1R869 S870 A871 S876 K877R869-Y873 WeakPolarHBondContact O-CB 3.37Å; R869-Y873 PolarHBondContact O-N 3.42Å; S870-Y873 PolarHBondContact O-N 3.4Å; A871-Y873 VanDerWaalsContact C-N 3.35Å; Y873-S876 WeakPolarHBondContact O-CB 3.4Å; Y873-S876 PolarHBondContact O-N 2.9Å; Y873-S876 PolarHBondContact O-OG 3.08Å; Y873-K877 PolarHBondContact O-N 3.22Å; Y873-K877 WeakPolarHBondContact OH-CE 3.47Å; Y873-K877 PolarHBondContact OH-NZ 2.93Å
874R87.9Confident78.1Confident41 Ų4174.4 Ų74.416%0.15537%0.372CS..Hα-helixtrans-65.8-41.2176.8-75175.7178.3178.5-1112.7E847 Q854 E861 S870 A871 S876 K877E847-R874 IonicContact OE1-NH2 3.76Å; Q854-R874 WeakPolarHBondContact O-CB 3.43Å; E861-R874 IonicContact OE1-CZ 2.98Å; E861-R874 IonicContact OE1-NH1 3.23Å; E861-R874 PolarHBondContact OE1-NH1 3.36Å; E861-R874 IonicContact OE1-NH2 2.7Å; E861-R874 WeakPolarHBondContact OE2-CD 3.42Å; E861-R874 IonicContact OE2-CZ 2.95Å; E861-R874 IonicContact OE2-NE 3.79Å; E861-R874 IonicContact OE2-NH1 3.61Å; E861-R874 PolarHBondContact OE2-NH1 2.98Å; S870-R874 WeakPolarHBondContact O-CB 3.49Å; S870-R874 WeakPolarHBondContact O-CG 3.36Å; S870-R874 PolarHBondContact O-N 3.01Å; A871-R874 PolarHBondContact O-N 3.48Å; R874-S876 VanDerWaalsContact C-N 3.29Å; R874-S876 PolarHBondContact O-N 2.8Å; R874-K877 PolarHBondContact O-N 3.43Å
875L88Confident78Confident0 Ų073 Ų730%037%0.368CS..Hα-helixtrans-63.6-34.6172.3-74.4168.9000112.3A855 V859 A871 A872 K877 V878 L886 L889 L890 I893 M901 V927A855-L875 HydrophobicContact CB-CD2 4.21Å; A855-L875 WeakPolarHBondContact O-CD2 3.43Å; V859-L875 HydrophobicContact CG2-CD2 3.96Å; A871-L875 WeakPolarHBondContact O-CG 3.26Å; A871-L875 PolarHBondContact O-N 3.06Å; A872-L875 PolarHBondContact O-N 3.42Å; L875-K877 PolarHBondContact O-N 3.28Å; L875-V878 PolarHBondContact O-N 3.32Å; L875-L886 HydrophobicContact CD2-CD1 4.39Å; L875-L889 HydrophobicContact CD2-CB 4.39Å; L875-L889 HydrophobicContact CD2-CD1 4.48Å; L875-L890 HydrophobicContact CD1-CD2 4.41Å; L875-I893 HydrophobicContact CD1-CD1 4.08Å; L875-M901 HydrophobicContact CD1-CE 3.87Å; L875-M901 HydrophobicContact CD1-SD 4.15Å; L875-V927 HydrophobicContact CB-CG1 4.14Å; L875-V927 HydrophobicContact CB-CG2 4.22Å; L875-V927 HydrophobicContact CD1-CG1 4.39Å
876S87.3Confident78.2Confident8 Ų867.8 Ų67.86%0.05634%0.344CS..Hα-helixtrans-63.4-24179.783.30000113.2A872 Y873 R874 V878 T879A872-S876 WeakPolarHBondContact O-CB 3.32Å; A872-S876 PolarHBondContact O-N 2.93Å; Y873-S876 WeakPolarHBondContact O-CB 3.4Å; Y873-S876 PolarHBondContact O-N 2.9Å; Y873-S876 PolarHBondContact O-OG 3.08Å; R874-S876 VanDerWaalsContact C-N 3.29Å; R874-S876 PolarHBondContact O-N 2.8Å; S876-V878 PolarHBondContact O-N 3.33Å; S876-T879 WeakPolarHBondContact O-CB 3.13Å; S876-T879 WeakPolarHBondContact O-CG2 3.29Å; S876-T879 PolarHBondContact O-N 2.91Å; S876-T879 VanDerWaalsContact O-N 3.09Å; S876-T879 PolarHBondContact O-OG1 3.19Å
877K84.4Confident79.1Confident88 Ų8861.4 Ų61.438%0.38333%0.325SS..THydrogen-bonded Turntrans-66.5-18.6179.4-64.1-61.9-179.5-174.30114.3A851 Y873 R874 L875A851-K877 HydrophobicContact CB-CB 4.46Å; Y873-K877 PolarHBondContact O-N 3.22Å; Y873-K877 WeakPolarHBondContact OH-CE 3.47Å; Y873-K877 PolarHBondContact OH-NZ 2.93Å; R874-K877 PolarHBondContact O-N 3.43Å; L875-K877 PolarHBondContact O-N 3.28Å
878V83.3Confident79.5Confident17 Ų1758.5 Ų58.510%0.10331%0.309CS..THydrogen-bonded Turntrans-91.5-7.5177.1176.50000112A851 A855 L875 S876 G880A851-V878 HydrophobicContact CB-CG2 4.41Å; A851-V878 WeakPolarHBondContact O-CG2 3.33Å; A855-V878 HydrophobicContact CB-CB 4.35Å; A855-V878 HydrophobicContact CB-CG2 3.44Å; A855-V878 VanDerWaalsContact CB-CG2 3.44Å; L875-V878 PolarHBondContact O-N 3.32Å; S876-V878 PolarHBondContact O-N 3.33Å; V878-G880 PolarHBondContact O-N 2.84Å
879T72.8Confident79.8Confident36 Ų3653.9 Ų53.922%0.22129%0.292CS..THydrogen-bonded Turntrans-68.1121.4178.364.50000110.8S876 L886 A923 T926 V927S876-T879 WeakPolarHBondContact O-CB 3.13Å; S876-T879 WeakPolarHBondContact O-CG2 3.29Å; S876-T879 PolarHBondContact O-N 2.91Å; S876-T879 VanDerWaalsContact O-N 3.09Å; S876-T879 PolarHBondContact O-OG1 3.19Å; T879-L886 HydrophobicContact CG2-CD2 3.5Å; T879-A923 WeakPolarHBondContact OG1-CA 3.48Å; T879-A923 WeakPolarHBondContact OG1-CB 3.41Å; T879-T926 HydrophobicContact CG2-CG2 4.16Å; T879-V927 HydrophobicContact CG2-CG2 3.77Å
880G61.3Low80.2Confident84 Ų8446.5 Ų46.587%0.86626%0.264SS*.THydrogen-bonded Turntrans116.2-16173.300000117V878V878-G880 PolarHBondContact O-N 2.84Å
881K56.4Low80.4Confident191 Ų19145.6 Ų45.683%0.8326%0.259SS*.THydrogen-bonded Turntrans-100.7-32.2-179.8-69.6-174.4179.1-179.80114.7
882D57.3Low80.5Confident100 Ų10045.6 Ų45.654%0.53526%0.259SS..  trans-159.7113.9172.2-78.2-47.8000110.3S884 S885D882-S884 VanDerWaalsContact C-N 3.26Å; D882-S884 PolarHBondContact O-N 3.43Å; D882-S885 PolarHBondContact O-N 2.88Å
883S67.7Low80.7Confident75 Ų7545.6 Ų45.652%0.52426%0.259SS..Hα-helixtrans-60-37180-174.10000112.5S885 L886 D887 Q930S883-S885 VanDerWaalsContact C-N 3.27Å; S883-S885 PolarHBondContact O-N 3.29Å; S883-L886 PolarHBondContact O-N 3.39Å; S883-D887 PolarHBondContact O-N 3.45Å; S883-Q930 PolarHBondContact OG-NE2 2.73Å
884S75.1Confident80.7Confident82 Ų8242 Ų4257%0.57325%0.248SC*.Hα-helixtrans-63.5-30.5-178.150.60000113.6D882 F888D882-S884 VanDerWaalsContact C-N 3.26Å; D882-S884 PolarHBondContact O-N 3.43Å; S884-F888 WeakPolarHBondContact O-CB 3.38Å; S884-F888 PolarHBondContact O-N 3.31Å; S884-F888 VanDerWaalsContact O-N 3.11Å
885S81.1Confident80.5Confident30 Ų3047.3 Ų47.321%0.2127%0.272CS..Hα-helixtrans-69.7-38.6-179.9-64.30000111.5D882 S883 L889D882-S885 PolarHBondContact O-N 2.88Å; S883-S885 VanDerWaalsContact C-N 3.27Å; S883-S885 PolarHBondContact O-N 3.29Å; S885-L889 VanDerWaalsContact O-CG 3.28Å; S885-L889 WeakPolarHBondContact O-CG 3.35Å; S885-L889 PolarHBondContact O-N 2.91Å; S885-L889 VanDerWaalsContact O-N 3.13Å
886L86.1Confident80.3Confident3 Ų353 Ų532%0.01630%0.302CS..Hα-helixtrans-72.4-41.8176.8-178.452.7000111.4L875 T879 S883 F888 L889 L890 V927 Q930L875-L886 HydrophobicContact CD2-CD1 4.39Å; T879-L886 HydrophobicContact CG2-CD2 3.5Å; S883-L886 PolarHBondContact O-N 3.39Å; L886-F888 VanDerWaalsContact C-N 3.29Å; L886-F888 PolarHBondContact O-N 3.05Å; L886-L889 PolarHBondContact O-N 3.08Å; L886-L890 HydrophobicContact CD1-CD1 4.08Å; L886-L890 HydrophobicContact CD1-CD2 4.42Å; L886-L890 HydrophobicContact CD1-CG 3.93Å; L886-L890 HydrophobicContact CG-CD1 3.97Å; L886-L890 HydrophobicContact CG-CG 4.31Å; L886-L890 WeakPolarHBondContact O-CB 3.41Å; L886-L890 VanDerWaalsContact O-CG 3.23Å; L886-L890 WeakPolarHBondContact O-CG 3.26Å; L886-L890 PolarHBondContact O-N 3.48Å; L886-V927 HydrophobicContact CD1-CG2 4.4Å; L886-V927 HydrophobicContact CD2-CG2 3.94Å; L886-Q930 VanDerWaalsContact CG-OE1 3.32Å
887D85.9Confident80.3Confident71 Ų7154.2 Ų54.238%0.3831%0.308SS..Hα-helixtrans-58.4-42.1176.8-66.4-36.7000111.6S883 A891S883-D887 PolarHBondContact O-N 3.45Å; D887-A891 WeakPolarHBondContact O-CB 3.44Å; D887-A891 PolarHBondContact O-N 3.26Å
888F88.1Confident80.4Confident11 Ų1152.8 Ų52.85%0.04830%0.3CS..Hα-helixtrans-62.3-49.7173.6171.9-102.8000112.8L783 D825 S884 L886 L890 A891 L892L783-F888 HydrophobicContact CD2-CE2 4.48Å; L783-F888 HydrophobicContact CD2-CZ 3.9Å; L783-F888 HydrophobicContact CG-CE2 4.19Å; L783-F888 HydrophobicContact CG-CZ 4.11Å; D825-F888 HydrophobicContact CB-CE1 4.14Å; D825-F888 HydrophobicContact CB-CZ 4.13Å; S884-F888 WeakPolarHBondContact O-CB 3.38Å; S884-F888 PolarHBondContact O-N 3.31Å; S884-F888 VanDerWaalsContact O-N 3.11Å; L886-F888 VanDerWaalsContact C-N 3.29Å; L886-F888 PolarHBondContact O-N 3.05Å; F888-L890 VanDerWaalsContact C-N 3.28Å; F888-L890 PolarHBondContact O-N 3.04Å; F888-A891 WeakPolarHBondContact O-CA 3.36Å; F888-A891 VanDerWaalsContact O-CB 3.31Å; F888-A891 WeakPolarHBondContact O-CB 3.24Å; F888-A891 PolarHBondContact O-N 2.83Å; F888-L892 HydrophobicContact CD1-CD1 4.35Å; F888-L892 HydrophobicContact CE1-CD1 3.7Å; F888-L892 HydrophobicContact CE1-CG 4.36Å; F888-L892 HydrophobicContact CZ-CD1 3.89Å; F888-L892 HydrophobicContact CZ-CD2 4.25Å; F888-L892 HydrophobicContact CZ-CG 4.2Å; F888-L892 PolarHBondContact O-N 3.45Å
889L89.2Confident80.6Confident4 Ų456.2 Ų56.22%0.02131%0.313CS..Hα-helixtrans-62.4-37179.9-71.4174.1000112.2A855 R856 V859 L875 S885 L886 A891 L892A855-L889 HydrophobicContact CB-CD1 3.62Å; R856-L889 HydrophobicContact CG-CD2 3.71Å; V859-L889 HydrophobicContact CG2-CB 4.16Å; V859-L889 HydrophobicContact CG2-CD2 4.3Å; L875-L889 HydrophobicContact CD2-CB 4.39Å; L875-L889 HydrophobicContact CD2-CD1 4.48Å; S885-L889 VanDerWaalsContact O-CG 3.28Å; S885-L889 WeakPolarHBondContact O-CG 3.35Å; S885-L889 PolarHBondContact O-N 2.91Å; S885-L889 VanDerWaalsContact O-N 3.13Å; L886-L889 PolarHBondContact O-N 3.08Å; L889-A891 VanDerWaalsContact C-N 3.33Å; L889-L892 HydrophobicContact CD2-CD1 4.29Å; L889-L892 WeakPolarHBondContact O-CB 3.41Å; L889-L892 PolarHBondContact O-N 3.31Å
890L88.7Confident81.3Confident4 Ų456.3 Ų56.32%0.02132%0.315CS..Hα-helixtrans-66.1-39.1173.6-69.3173.6000110.9L875 L886 F888 L892 I893 R898 M901 V927 Q930 A931L875-L890 HydrophobicContact CD1-CD2 4.41Å; L886-L890 HydrophobicContact CD1-CD1 4.08Å; L886-L890 HydrophobicContact CD1-CD2 4.42Å; L886-L890 HydrophobicContact CD1-CG 3.93Å; L886-L890 HydrophobicContact CG-CD1 3.97Å; L886-L890 HydrophobicContact CG-CG 4.31Å; L886-L890 WeakPolarHBondContact O-CB 3.41Å; L886-L890 VanDerWaalsContact O-CG 3.23Å; L886-L890 WeakPolarHBondContact O-CG 3.26Å; L886-L890 PolarHBondContact O-N 3.48Å; F888-L890 VanDerWaalsContact C-N 3.28Å; F888-L890 PolarHBondContact O-N 3.04Å; L890-L892 PolarHBondContact O-N 2.92Å; L890-I893 HydrophobicContact CD2-CD1 4.09Å; L890-I893 WeakPolarHBondContact O-CB 3.43Å; L890-I893 PolarHBondContact O-N 3.28Å; L890-R898 PolarHBondContact O-NE 3.41Å; L890-R898 PolarHBondContact O-NH2 2.88Å; L890-M901 HydrophobicContact CD2-CE 3.44Å; L890-M901 VanDerWaalsContact CD2-CE 3.44Å; L890-V927 HydrophobicContact CD2-CG1 4.28Å; L890-Q930 HydrophobicContact CD1-CB 3.64Å; L890-A931 HydrophobicContact CD1-CB 4.17Å; L890-A931 HydrophobicContact CD2-CB 3.99Å
891A88.4Confident82.6Confident12 Ų1252.4 Ų52.410%0.09927%0.274CS..Hα-helixtrans-58.8-33.2176.900000112.5V787 V792 D887 F888 L889 I893 R898V787-A891 HydrophobicContact CG1-CB 3.55Å; V792-A891 WeakPolarHBondContact CG2-O 3.39Å; D887-A891 WeakPolarHBondContact O-CB 3.44Å; D887-A891 PolarHBondContact O-N 3.26Å; F888-A891 WeakPolarHBondContact O-CA 3.36Å; F888-A891 VanDerWaalsContact O-CB 3.31Å; F888-A891 WeakPolarHBondContact O-CB 3.24Å; F888-A891 PolarHBondContact O-N 2.83Å; L889-A891 VanDerWaalsContact C-N 3.33Å; A891-I893 PolarHBondContact O-N 2.89Å; A891-R898 VanDerWaalsContact CA-NH2 3.3Å; A891-R898 PolarHBondContact O-NH2 3.48Å
892L89.4Confident84.2Confident0 Ų043.3 Ų43.30%023%0.234CC..THydrogen-bonded Turntrans-68.1-11.8173.4-64.9173.1000114.8V787 L828 A829 V859 W863 F888 L889 L890V787-L892 HydrophobicContact CG1-CD2 3.97Å; V787-L892 HydrophobicContact CG1-CG 4.39Å; V787-L892 HydrophobicContact CG2-CD2 3.75Å; L828-L892 HydrophobicContact CB-CD1 4.33Å; L828-L892 HydrophobicContact CD1-CD1 4.48Å; A829-L892 HydrophobicContact CB-CD2 3.77Å; V859-L892 HydrophobicContact CG1-CB 4.25Å; W863-L892 PolarHBondContact NE1-O 3.29Å; F888-L892 HydrophobicContact CD1-CD1 4.35Å; F888-L892 HydrophobicContact CE1-CD1 3.7Å; F888-L892 HydrophobicContact CE1-CG 4.36Å; F888-L892 HydrophobicContact CZ-CD1 3.89Å; F888-L892 HydrophobicContact CZ-CD2 4.25Å; F888-L892 HydrophobicContact CZ-CG 4.2Å; F888-L892 PolarHBondContact O-N 3.45Å; L889-L892 HydrophobicContact CD2-CD1 4.29Å; L889-L892 WeakPolarHBondContact O-CB 3.41Å; L889-L892 PolarHBondContact O-N 3.31Å; L890-L892 PolarHBondContact O-N 2.92Å
893I88.6Confident85.7Confident0 Ų042.2 Ų42.20%023%0.226CC..SBendtrans-94.4127.5178.8-54.4170.3000109.6V859 T862 L875 L890 A891 Q897 R898 M901V859-I893 HydrophobicContact CB-CG1 4.47Å; V859-I893 HydrophobicContact CG1-CG1 3.91Å; V859-I893 HydrophobicContact CG2-CD1 4.33Å; V859-I893 HydrophobicContact CG2-CG1 4.26Å; T862-I893 HydrophobicContact CG2-CD1 4.22Å; L875-I893 HydrophobicContact CD1-CD1 4.08Å; L890-I893 HydrophobicContact CD2-CD1 4.09Å; L890-I893 WeakPolarHBondContact O-CB 3.43Å; L890-I893 PolarHBondContact O-N 3.28Å; A891-I893 PolarHBondContact O-N 2.89Å; I893-Q897 HydrophobicContact CG2-CB 3.88Å; I893-R898 HydrophobicContact CB-CB 4.16Å; I893-R898 HydrophobicContact CB-CG 4.49Å; I893-R898 HydrophobicContact CG2-CB 3.85Å; I893-R898 PolarHBondContact O-NE 3.22Å; I893-R898 VanDerWaalsContact O-NE 3.11Å; I893-R898 PolarHBondContact O-NH2 2.89Å; I893-M901 HydrophobicContact CD1-CE 4.07Å
894P87.2Confident86.7Confident25 Ų2539.4 Ų39.416%0.16221%0.207CC..  trans-52.8141.4173.8-28.334.1000112.3W863 N896 Q897 R898W863-P894 HydrophobicContact CD2-CG 3.98Å; W863-P894 HydrophobicContact CE3-CG 4.07Å; W863-P894 HydrophobicContact CH2-CG 3.53Å; W863-P894 VanDerWaalsContact CZ2-CD 3.44Å; W863-P894 HydrophobicContact CZ2-CG 3.41Å; W863-P894 VanDerWaalsContact CZ2-CG 3.41Å; W863-P894 HydrophobicContact CZ3-CG 3.86Å; P894-N896 VanDerWaalsContact C-N 3.28Å; P894-N896 PolarHBondContact O-N 3.01Å; P894-N896 VanDerWaalsContact O-N 3.1Å; P894-Q897 PolarHBondContact O-N 3.22Å; P894-R898 WeakPolarHBondContact O-CB 3.35Å; P894-R898 PolarHBondContact O-N 2.93Å
895F83.9Confident87.4Confident152 Ų15235.5 Ų35.567%0.66718%0.18SC*.Hα-helixtrans-50.7-43.8-171.3-179.2-100.1000114R898 K899F895-R898 PolarHBondContact O-N 3.4Å; F895-K899 PolarHBondContact O-N 2.83Å
896N83.6Confident87.8Confident119 Ų11934.2 Ų34.264%0.63617%0.172SC*.Hα-helixtrans-65.9-44-179.6-70.1-22.2000112.3P894 K899 C900P894-N896 VanDerWaalsContact C-N 3.28Å; P894-N896 PolarHBondContact O-N 3.01Å; P894-N896 VanDerWaalsContact O-N 3.1Å; N896-K899 PolarHBondContact O-N 3.35Å; N896-C900 PolarHBondContact O-N 3.27Å; N896-C900 PolarHBondContact O-SG 2.74Å; N896-C900 VanDerWaalsContact O-SG 3.35Å
897Q87.2Confident88Confident35 Ų3539.7 Ų39.716%0.16420%0.2CC..Hα-helixtrans-70.4-37.6179.1-67.9171.2-11.500111.1W863 I893 P894 K899 C900 M901W863-Q897 PolarHBondContact O-NE2 3.41Å; W863-Q897 VanDerWaalsContact O-NE2 3.15Å; I893-Q897 HydrophobicContact CG2-CB 3.88Å; P894-Q897 PolarHBondContact O-N 3.22Å; Q897-K899 VanDerWaalsContact C-N 3.34Å; Q897-K899 PolarHBondContact O-N 3.47Å; Q897-C900 PolarHBondContact O-N 3.31Å; Q897-M901 WeakPolarHBondContact O-CB 3.44Å; Q897-M901 PolarHBondContact O-N 3.38Å
898R88.1Confident88.1Confident57 Ų5738.9 Ų38.922%0.21519%0.194CC..Hα-helixtrans-59.2-44.2174.8-167.8-172-53.21804.4111.5L890 A891 I893 P894 F895 M901 A902 A931L890-R898 PolarHBondContact O-NE 3.41Å; L890-R898 PolarHBondContact O-NH2 2.88Å; A891-R898 VanDerWaalsContact CA-NH2 3.3Å; A891-R898 PolarHBondContact O-NH2 3.48Å; I893-R898 HydrophobicContact CB-CB 4.16Å; I893-R898 HydrophobicContact CB-CG 4.49Å; I893-R898 HydrophobicContact CG2-CB 3.85Å; I893-R898 PolarHBondContact O-NE 3.22Å; I893-R898 VanDerWaalsContact O-NE 3.11Å; I893-R898 PolarHBondContact O-NH2 2.89Å; P894-R898 WeakPolarHBondContact O-CB 3.35Å; P894-R898 PolarHBondContact O-N 2.93Å; F895-R898 PolarHBondContact O-N 3.4Å; R898-M901 PolarHBondContact O-N 2.89Å; R898-A902 WeakPolarHBondContact O-CB 3.43Å; R898-A902 PolarHBondContact O-N 2.65Å; R898-A931 WeakPolarHBondContact CD-O 3.31Å; R898-A931 HydrophobicContact CG-CB 3.93Å
899K86.2Confident88.2Confident90 Ų9038.4 Ų38.439%0.39119%0.192SC..Hα-helixtrans-62.5-45.4175.8-176-177.2174.1-171.60111.9F895 N896 Q897 A902 Q903F895-K899 PolarHBondContact O-N 2.83Å; N896-K899 PolarHBondContact O-N 3.35Å; Q897-K899 VanDerWaalsContact C-N 3.34Å; Q897-K899 PolarHBondContact O-N 3.47Å; K899-A902 PolarHBondContact O-N 3.11Å; K899-Q903 WeakPolarHBondContact O-CG 3.31Å; K899-Q903 PolarHBondContact O-N 3.14Å; K899-Q903 VanDerWaalsContact O-N 3.07Å
900C87Confident88.2Confident38 Ų3840.6 Ų40.626%0.25721%0.208SC..Hα-helixtrans-65.2-38.5178-67.90000112.4N896 Q897 Q903 A904N896-C900 PolarHBondContact O-N 3.27Å; N896-C900 PolarHBondContact O-SG 2.74Å; N896-C900 VanDerWaalsContact O-SG 3.35Å; Q897-C900 PolarHBondContact O-N 3.31Å; C900-Q903 PolarHBondContact O-N 3Å; C900-A904 PolarHBondContact O-N 3.38Å; C900-A904 VanDerWaalsContact O-N 3.09Å
901M90Very high88.2Confident1 Ų144.3 Ų44.31%0.00523%0.23CC..Hα-helixtrans-66.1-44.2174.4177.3-81.2-64.400111.1T862 A872 L875 L890 I893 Q897 R898 Q903 A904 A905 V927 A931T862-M901 HydrophobicContact CG2-CB 3.93Å; T862-M901 HydrophobicContact CG2-CG 3.67Å; A872-M901 HydrophobicContact CB-CG 4.29Å; A872-M901 HydrophobicContact CB-SD 4.22Å; L875-M901 HydrophobicContact CD1-CE 3.87Å; L875-M901 HydrophobicContact CD1-SD 4.15Å; L890-M901 HydrophobicContact CD2-CE 3.44Å; L890-M901 VanDerWaalsContact CD2-CE 3.44Å; I893-M901 HydrophobicContact CD1-CE 4.07Å; Q897-M901 WeakPolarHBondContact O-CB 3.44Å; Q897-M901 PolarHBondContact O-N 3.38Å; R898-M901 PolarHBondContact O-N 2.89Å; M901-Q903 VanDerWaalsContact C-N 3.27Å; M901-Q903 PolarHBondContact O-N 3.38Å; M901-A904 PolarHBondContact O-N 3.15Å; M901-A904 VanDerWaalsContact O-N 3.1Å; M901-A905 WeakPolarHBondContact O-CB 3.34Å; M901-A905 PolarHBondContact O-N 3.22Å; M901-A905 HydrophobicContact SD-CB 4.43Å; M901-V927 HydrophobicContact CE-CG1 3.89Å; M901-V927 HydrophobicContact SD-CG1 3.66Å; M901-A931 HydrophobicContact CE-CB 3.97Å
902A89.4Confident88.3Confident0 Ų044.9 Ų44.90%023%0.232CC..Hα-helixtrans-58.7-39.2176.700000112.5R898 K899 A905 A906 A928 A931 T932R898-A902 WeakPolarHBondContact O-CB 3.43Å; R898-A902 PolarHBondContact O-N 2.65Å; K899-A902 PolarHBondContact O-N 3.11Å; A902-A905 PolarHBondContact O-N 3.09Å; A902-A906 WeakPolarHBondContact O-CB 3.14Å; A902-A906 PolarHBondContact O-N 2.91Å; A902-A928 HydrophobicContact CB-CB 4.46Å; A902-A928 WeakPolarHBondContact O-CB 3.45Å; A902-A931 HydrophobicContact CB-CB 3.76Å; A902-T932 HydrophobicContact CB-CG2 3.8Å
903Q88.6Confident88.2Confident77 Ų7745.9 Ų45.936%0.3624%0.239SC..Hα-helixtrans-63.6-46.1173.6-73.8173.3-17.600112K899 C900 M901 A905 A906 L907 Y939K899-Q903 WeakPolarHBondContact O-CG 3.31Å; K899-Q903 PolarHBondContact O-N 3.14Å; K899-Q903 VanDerWaalsContact O-N 3.07Å; C900-Q903 PolarHBondContact O-N 3Å; M901-Q903 VanDerWaalsContact C-N 3.27Å; M901-Q903 PolarHBondContact O-N 3.38Å; Q903-A905 VanDerWaalsContact C-N 3.34Å; Q903-A905 PolarHBondContact O-N 2.97Å; Q903-A906 PolarHBondContact O-N 3.39Å; Q903-L907 WeakPolarHBondContact O-CG 3.34Å; Q903-L907 PolarHBondContact O-N 3.45Å; Q903-Y939 WeakPolarHBondContact CG-OH 3.47Å
904A88.2Confident88.1Confident16 Ų1650.9 Ų50.913%0.13227%0.274CS..Hα-helixtrans-62.1-42177.100000111.9R868 C900 M901 L907 E908R868-A904 HydrophobicContact CB-CB 3.77Å; C900-A904 PolarHBondContact O-N 3.38Å; C900-A904 VanDerWaalsContact O-N 3.09Å; M901-A904 PolarHBondContact O-N 3.15Å; M901-A904 VanDerWaalsContact O-N 3.1Å; A904-L907 PolarHBondContact O-N 3.34Å; A904-E908 WeakPolarHBondContact O-CB 3.37Å; A904-E908 PolarHBondContact O-N 2.91Å
905A90.4Very high88.1Confident0 Ų052.9 Ų52.90%029%0.293CS..Hα-helixtrans-61.2-44.1176.700000112.2A872 M901 A902 Q903 E908 A909 L924 A928A872-A905 HydrophobicContact CB-CB 3.69Å; M901-A905 WeakPolarHBondContact O-CB 3.34Å; M901-A905 PolarHBondContact O-N 3.22Å; M901-A905 HydrophobicContact SD-CB 4.43Å; A902-A905 PolarHBondContact O-N 3.09Å; Q903-A905 VanDerWaalsContact C-N 3.34Å; Q903-A905 PolarHBondContact O-N 2.97Å; A905-E908 PolarHBondContact O-N 3.2Å; A905-A909 VanDerWaalsContact O-CB 3.29Å; A905-A909 WeakPolarHBondContact O-CB 3.45Å; A905-A909 PolarHBondContact O-N 2.95Å; A905-L924 HydrophobicContact CB-CD2 4.39Å; A905-A928 HydrophobicContact CB-CB 4.1Å
906A89.4Confident88.1Confident4 Ų447.5 Ų47.53%0.03328%0.28CS..Hα-helixtrans-67.2-39.2178.800000112.7A902 Q903 A909 S910 L925 A928 Y939A902-A906 WeakPolarHBondContact O-CB 3.14Å; A902-A906 PolarHBondContact O-N 2.91Å; Q903-A906 PolarHBondContact O-N 3.39Å; A906-A909 PolarHBondContact O-N 2.94Å; A906-S910 PolarHBondContact O-N 3Å; A906-L925 HydrophobicContact CB-CD2 4.47Å; A906-A928 HydrophobicContact CB-CB 4.23Å; A906-Y939 HydrophobicContact CB-CD1 3.58Å; A906-Y939 HydrophobicContact CB-CE1 3.4Å; A906-Y939 HydrophobicContact CB-CG 4.42Å
907L89.7Confident88.4Confident118 Ų11846.1 Ų46.162%0.61827%0.27SS*.Hα-helixtrans-64.9-46.9175.7-71.2171.6000111Q903 A904 A909 S910 V911Q903-L907 WeakPolarHBondContact O-CG 3.34Å; Q903-L907 PolarHBondContact O-N 3.45Å; A904-L907 PolarHBondContact O-N 3.34Å; L907-A909 VanDerWaalsContact C-N 3.3Å; L907-A909 PolarHBondContact O-N 2.77Å; L907-S910 PolarHBondContact O-N 3.45Å; L907-S910 VanDerWaalsContact O-N 3.12Å; L907-S910 PolarHBondContact O-OG 3.45Å; L907-V911 PolarHBondContact O-N 2.99Å
908E88.9Confident88.4Confident54 Ų5448.3 Ų48.325%0.25228%0.276SS..Hα-helixtrans-62.4-40.8177.3-163.766.1-162.200111.2R869 A904 A905 S910 V911 L912 L924R869-E908 IonicContact NE-OE2 2.75Å; A904-E908 WeakPolarHBondContact O-CB 3.37Å; A904-E908 PolarHBondContact O-N 2.91Å; A905-E908 PolarHBondContact O-N 3.2Å; E908-S910 VanDerWaalsContact C-N 3.28Å; E908-S910 PolarHBondContact O-N 3.49Å; E908-V911 WeakPolarHBondContact O-CB 3.44Å; E908-V911 PolarHBondContact O-N 3.36Å; E908-V911 VanDerWaalsContact O-N 3.15Å; E908-L912 HydrophobicContact CG-CD1 4.49Å; E908-L912 WeakPolarHBondContact O-CG 3.41Å; E908-L912 PolarHBondContact O-N 3.01Å; E908-L924 HydrophobicContact CB-CD1 4.27Å; E908-L924 HydrophobicContact CG-CD1 4.1Å
909A90.2Very high88.3Confident0 Ų050.8 Ų50.80%029%0.294CS..Hα-helixtrans-62.7-34.1175.200000113.1A905 A906 L907 V911 L912 S913 A921 L924 L925A905-A909 VanDerWaalsContact O-CB 3.29Å; A905-A909 WeakPolarHBondContact O-CB 3.45Å; A905-A909 PolarHBondContact O-N 2.95Å; A906-A909 PolarHBondContact O-N 2.94Å; L907-A909 VanDerWaalsContact C-N 3.3Å; L907-A909 PolarHBondContact O-N 2.77Å; A909-V911 VanDerWaalsContact C-N 3.33Å; A909-L912 PolarHBondContact O-N 2.91Å; A909-S913 VanDerWaalsContact O-CB 3.3Å; A909-S913 WeakPolarHBondContact O-CB 3.34Å; A909-S913 PolarHBondContact O-N 3.31Å; A909-S913 PolarHBondContact O-OG 3.37Å; A909-A921 HydrophobicContact CB-CB 4.28Å; A909-A921 WeakPolarHBondContact O-CB 3.36Å; A909-L924 HydrophobicContact CB-CB 3.93Å; A909-L925 HydrophobicContact CB-CD1 4.01Å; A909-L925 HydrophobicContact CB-CD2 3.91Å; A909-L925 HydrophobicContact CB-CG 3.5Å; A909-L925 VanDerWaalsContact CB-CG 3.5Å
910S88.6Confident88.2Confident50 Ų5050.4 Ų50.435%0.3529%0.294SS..Hα-helixtrans-65.8-36.3174.771.20000112.5A906 L907 E908 S913 S914A906-S910 PolarHBondContact O-N 3Å; L907-S910 PolarHBondContact O-N 3.45Å; L907-S910 VanDerWaalsContact O-N 3.12Å; L907-S910 PolarHBondContact O-OG 3.45Å; E908-S910 VanDerWaalsContact C-N 3.28Å; E908-S910 PolarHBondContact O-N 3.49Å; S910-S913 PolarHBondContact O-N 3.01Å; S910-S914 PolarHBondContact O-N 3.36Å; S910-S914 VanDerWaalsContact O-N 3.08Å; S910-S914 PolarHBondContact O-OG 3.48Å
911V89.9Confident88.4Confident82 Ų8248.6 Ų48.650%0.49728%0.281SS..Hα-helixtrans-67.5-41.7175.4175.40000110.5L907 E908 A909 S914 A915L907-V911 PolarHBondContact O-N 2.99Å; E908-V911 WeakPolarHBondContact O-CB 3.44Å; E908-V911 PolarHBondContact O-N 3.36Å; E908-V911 VanDerWaalsContact O-N 3.15Å; A909-V911 VanDerWaalsContact C-N 3.33Å; V911-S914 PolarHBondContact O-N 3.03Å; V911-S914 PolarHBondContact O-OG 3.02Å; V911-A915 PolarHBondContact O-N 3.01Å; V911-A915 VanDerWaalsContact O-N 3.15Å
912L89.1Confident88.4Confident24 Ų2449.6 Ų49.613%0.12629%0.287CS..Hα-helixtrans-71.2-33.4177.6-67.3171.2000112.7E908 A909 A915 G916 Q917 Q920 A921 L924E908-L912 HydrophobicContact CG-CD1 4.49Å; E908-L912 WeakPolarHBondContact O-CG 3.41Å; E908-L912 PolarHBondContact O-N 3.01Å; A909-L912 PolarHBondContact O-N 2.91Å; L912-A915 CarbonylContact O-C 3.58Å; L912-A915 PolarHBondContact O-N 3.49Å; L912-G916 PolarHBondContact O-N 3.38Å; L912-Q917 HydrophobicContact CB-CB 4.43Å; L912-Q917 PolarHBondContact O-N 3.44Å; L912-Q920 HydrophobicContact CD1-CB 4.15Å; L912-A921 HydrophobicContact CB-CB 4.04Å; L912-L924 HydrophobicContact CD1-CD1 3.48Å; L912-L924 VanDerWaalsContact CD1-CD1 3.48Å
913S88.1Confident88.3Confident21 Ų2150.3 Ų50.315%0.14729%0.293CS..Hα-helixtrans-64.4-43.7174.8-60.90000111.1A909 S910 A915 G916 W918 A921A909-S913 VanDerWaalsContact O-CB 3.3Å; A909-S913 WeakPolarHBondContact O-CB 3.34Å; A909-S913 PolarHBondContact O-N 3.31Å; A909-S913 PolarHBondContact O-OG 3.37Å; S910-S913 PolarHBondContact O-N 3.01Å; S913-A915 VanDerWaalsContact C-N 3.26Å; S913-A915 PolarHBondContact O-N 3.22Å; S913-G916 PolarHBondContact O-N 3.22Å; S913-G916 VanDerWaalsContact O-N 3.08Å; S913-W918 VanDerWaalsContact O-CH2 3.3Å; S913-W918 WeakPolarHBondContact O-CH2 3.45Å; S913-A921 VanDerWaalsContact OG-CB 3.32Å; S913-A921 WeakPolarHBondContact OG-CB 3.47Å
914S87.1Confident88.4Confident106 Ų10646.7 Ų46.774%0.74128%0.276SS*.Hα-helixtrans-68.4-26.5175.962.90000112.8S910 V911 G916S910-S914 PolarHBondContact O-N 3.36Å; S910-S914 VanDerWaalsContact O-N 3.08Å; S910-S914 PolarHBondContact O-OG 3.48Å; V911-S914 PolarHBondContact O-N 3.03Å; V911-S914 PolarHBondContact O-OG 3.02Å; S914-G916 VanDerWaalsContact C-N 3.27Å; S914-G916 PolarHBondContact O-N 3.29Å
915A87.1Confident88.5Confident67 Ų6746 Ų4655%0.55427%0.27SS*.THydrogen-bonded Turntrans-812171.600000114.2V911 L912 S913 Q917V911-A915 PolarHBondContact O-N 3.01Å; V911-A915 VanDerWaalsContact O-N 3.15Å; L912-A915 CarbonylContact O-C 3.58Å; L912-A915 PolarHBondContact O-N 3.49Å; S913-A915 VanDerWaalsContact C-N 3.26Å; S913-A915 PolarHBondContact O-N 3.22Å; A915-Q917 VanDerWaalsContact C-N 3.31Å; A915-Q917 PolarHBondContact O-N 3Å
916G83.8Confident88.5Confident39 Ų3947.1 Ų47.140%0.40228%0.277SS..THydrogen-bonded Turntrans75.79.9178.900000115.3L912 S913 S914 W918L912-G916 PolarHBondContact O-N 3.38Å; S913-G916 PolarHBondContact O-N 3.22Å; S913-G916 VanDerWaalsContact O-N 3.08Å; S914-G916 VanDerWaalsContact C-N 3.27Å; S914-G916 PolarHBondContact O-N 3.29Å; G916-W918 VanDerWaalsContact C-N 3.3Å; G916-W918 PolarHBondContact O-N 2.96Å; G916-W918 VanDerWaalsContact O-N 3.13Å; G916-W918 PolarHBondContact O-NE1 2.88Å
917Q89.3Confident88.4Confident90 Ų9047 Ų4742%0.42128%0.275SS..  trans-89.461.5-179.6-63.9-172.5-100111.9L912 A915 N919 Q920 A921L912-Q917 HydrophobicContact CB-CB 4.43Å; L912-Q917 PolarHBondContact O-N 3.44Å; A915-Q917 VanDerWaalsContact C-N 3.31Å; A915-Q917 PolarHBondContact O-N 3Å; Q917-N919 VanDerWaalsContact C-N 3.35Å; Q917-N919 PolarHBondContact O-N 3.41Å; Q917-Q920 PolarHBondContact O-N 3.48Å; Q917-A921 PolarHBondContact O-N 2.82Å; Q917-A921 VanDerWaalsContact O-N 3.08Å
918W87.1Confident88.4Confident80 Ų8041.3 Ų41.330%0.30325%0.246SC..Hα-helixtrans-58.1-37.7-170.1-53.5108.7000114.7S913 G916 Q920 A921 L922 Q949 L950S913-W918 VanDerWaalsContact O-CH2 3.3Å; S913-W918 WeakPolarHBondContact O-CH2 3.45Å; G916-W918 VanDerWaalsContact C-N 3.3Å; G916-W918 PolarHBondContact O-N 2.96Å; G916-W918 VanDerWaalsContact O-N 3.13Å; G916-W918 PolarHBondContact O-NE1 2.88Å; W918-Q920 PolarHBondContact O-N 3.44Å; W918-A921 PolarHBondContact O-N 3.22Å; W918-L922 WeakPolarHBondContact O-CB 3.41Å; W918-L922 PolarHBondContact O-N 2.88Å; W918-Q949 HydrophobicContact CD2-CB 3.98Å; W918-Q949 HydrophobicContact CD2-CG 4.28Å; W918-Q949 HydrophobicContact CE3-CB 4.23Å; W918-Q949 HydrophobicContact CE3-CG 4.22Å; W918-Q949 HydrophobicContact CG-CB 4.29Å; W918-Q949 HydrophobicContact CH2-CG 4.09Å; W918-Q949 HydrophobicContact CZ2-CG 4.14Å; W918-Q949 HydrophobicContact CZ3-CG 4.12Å; W918-L950 HydrophobicContact CB-CD1 4.04Å; W918-L950 HydrophobicContact CB-CD2 3.83Å; W918-L950 HydrophobicContact CB-CG 3.81Å
919N85.6Confident88.4Confident110 Ų11038.8 Ų38.859%0.58823%0.234SC*.Hα-helixtrans-65.6-39179.7-74.8-45.9000112.8Q917 A923 L950Q917-N919 VanDerWaalsContact C-N 3.35Å; Q917-N919 PolarHBondContact O-N 3.41Å; N919-A923 PolarHBondContact O-N 2.71Å; N919-L950 WeakPolarHBondContact OD1-CD1 3.37Å
920Q85.3Confident88.3Confident82 Ų8240.2 Ų40.238%0.38324%0.24SC..Hα-helixtrans-76.1-39.6178.7-61.7-173.513.900111.2L912 Q917 W918 L922 A923 L924L912-Q920 HydrophobicContact CD1-CB 4.15Å; Q917-Q920 PolarHBondContact O-N 3.48Å; W918-Q920 PolarHBondContact O-N 3.44Å; Q920-L922 VanDerWaalsContact C-N 3.31Å; Q920-L922 PolarHBondContact O-N 3.13Å; Q920-A923 PolarHBondContact O-N 3.04Å; Q920-L924 PolarHBondContact O-N 2.74Å; Q920-L924 VanDerWaalsContact O-N 3.14Å
921A90.1Very high88.2Confident0 Ų038.2 Ų38.20%023%0.227CC..Hα-helixtrans-59.5-42.7172.100000111.6A909 L912 S913 Q917 W918 A923 L924 L925A909-A921 HydrophobicContact CB-CB 4.28Å; A909-A921 WeakPolarHBondContact O-CB 3.36Å; L912-A921 HydrophobicContact CB-CB 4.04Å; S913-A921 VanDerWaalsContact OG-CB 3.32Å; S913-A921 WeakPolarHBondContact OG-CB 3.47Å; Q917-A921 PolarHBondContact O-N 2.82Å; Q917-A921 VanDerWaalsContact O-N 3.08Å; W918-A921 PolarHBondContact O-N 3.22Å; A921-A923 PolarHBondContact O-N 2.68Å; A921-L924 PolarHBondContact O-N 3.29Å; A921-L925 WeakPolarHBondContact O-CB 3.31Å; A921-L925 WeakPolarHBondContact O-CD1 3.26Å; A921-L925 VanDerWaalsContact O-CG 3.29Å; A921-L925 WeakPolarHBondContact O-CG 3.26Å; A921-L925 PolarHBondContact O-N 3.01Å
922L90.2Very high87.9Confident22 Ų2235.5 Ų35.512%0.11521%0.211CC..Hα-helixtrans-61.5-42.9177.4-176.173.8000112.2W918 Q920 L925 T926 R943 C946 F947 L950W918-L922 WeakPolarHBondContact O-CB 3.41Å; W918-L922 PolarHBondContact O-N 2.88Å; Q920-L922 VanDerWaalsContact C-N 3.31Å; Q920-L922 PolarHBondContact O-N 3.13Å; L922-L925 PolarHBondContact O-N 3.12Å; L922-T926 WeakPolarHBondContact O-CB 3.46Å; L922-T926 PolarHBondContact O-N 3.39Å; L922-T926 PolarHBondContact O-OG1 3.25Å; L922-R943 HydrophobicContact CD1-CG 3.66Å; L922-C946 HydrophobicContact CB-CB 4.33Å; L922-C946 HydrophobicContact CD1-CB 3.94Å; L922-F947 HydrophobicContact CD1-CD1 3.62Å; L922-F947 HydrophobicContact CD1-CD2 4.07Å; L922-F947 HydrophobicContact CD1-CE1 3.54Å; L922-F947 HydrophobicContact CD1-CE2 3.99Å; L922-F947 HydrophobicContact CD1-CG 3.89Å; L922-F947 HydrophobicContact CD1-CZ 3.73Å; L922-F947 HydrophobicContact CD2-CD1 3.92Å; L922-F947 HydrophobicContact CD2-CE1 3.61Å; L922-F947 HydrophobicContact CD2-CZ 4.39Å; L922-F947 HydrophobicContact CG-CD1 4.41Å; L922-F947 HydrophobicContact CG-CE1 4.08Å; L922-F947 HydrophobicContact CG-CZ 4.44Å; L922-L950 HydrophobicContact CB-CD1 4.39Å; L922-L950 HydrophobicContact CD2-CD1 3.85Å
923A88.3Confident87.4Confident15 Ų1536.6 Ų36.612%0.12423%0.228CC..Hα-helixtrans-59.5-49.4176.300000111.4T879 N919 Q920 A921 T926 V927T879-A923 WeakPolarHBondContact OG1-CA 3.48Å; T879-A923 WeakPolarHBondContact OG1-CB 3.41Å; N919-A923 PolarHBondContact O-N 2.71Å; Q920-A923 PolarHBondContact O-N 3.04Å; A921-A923 PolarHBondContact O-N 2.68Å; A923-T926 WeakPolarHBondContact O-CB 3.44Å; A923-T926 PolarHBondContact O-N 3.42Å; A923-V927 PolarHBondContact O-N 3.01Å
924L90.3Very high86.9Confident1 Ų139.7 Ų39.71%0.00524%0.24CC..Hα-helixtrans-64.8-40.6177.7-76.7163.2000113.1A872 A905 E908 A909 L912 Q920 A921 T926 V927 A928A872-L924 HydrophobicContact CB-CD2 3.91Å; A872-L924 WeakPolarHBondContact O-CD2 3.35Å; A905-L924 HydrophobicContact CB-CD2 4.39Å; E908-L924 HydrophobicContact CB-CD1 4.27Å; E908-L924 HydrophobicContact CG-CD1 4.1Å; A909-L924 HydrophobicContact CB-CB 3.93Å; L912-L924 HydrophobicContact CD1-CD1 3.48Å; L912-L924 VanDerWaalsContact CD1-CD1 3.48Å; Q920-L924 PolarHBondContact O-N 2.74Å; Q920-L924 VanDerWaalsContact O-N 3.14Å; A921-L924 PolarHBondContact O-N 3.29Å; L924-T926 VanDerWaalsContact C-N 3.27Å; L924-T926 PolarHBondContact O-N 3.08Å; L924-V927 WeakPolarHBondContact O-CB 3.47Å; L924-V927 PolarHBondContact O-N 3.18Å; L924-A928 PolarHBondContact O-N 2.93Å
925L90.3Very high86.3Confident1 Ų144.5 Ų44.51%0.00524%0.242CC..Hα-helixtrans-65.4-32.7175.1-74.2163.6000112A906 A909 A921 L922 A928 V929 Q942 R943 C946A906-L925 HydrophobicContact CB-CD2 4.47Å; A909-L925 HydrophobicContact CB-CD1 4.01Å; A909-L925 HydrophobicContact CB-CD2 3.91Å; A909-L925 HydrophobicContact CB-CG 3.5Å; A909-L925 VanDerWaalsContact CB-CG 3.5Å; A921-L925 WeakPolarHBondContact O-CB 3.31Å; A921-L925 WeakPolarHBondContact O-CD1 3.26Å; A921-L925 VanDerWaalsContact O-CG 3.29Å; A921-L925 WeakPolarHBondContact O-CG 3.26Å; A921-L925 PolarHBondContact O-N 3.01Å; L922-L925 PolarHBondContact O-N 3.12Å; L925-A928 PolarHBondContact O-N 3.14Å; L925-V929 WeakPolarHBondContact O-CB 3.47Å; L925-V929 VanDerWaalsContact O-CG2 3.24Å; L925-V929 WeakPolarHBondContact O-CG2 3.35Å; L925-V929 PolarHBondContact O-N 3.36Å; L925-Q942 HydrophobicContact CD1-CB 3.93Å; L925-Q942 HydrophobicContact CD2-CB 3.6Å; L925-Q942 HydrophobicContact CG-CB 4.42Å; L925-R943 HydrophobicContact CB-CB 4.02Å; L925-R943 HydrophobicContact CB-CG 4.02Å; L925-C946 VanDerWaalsContact CD1-SG 3.54Å
926T89.3Confident86.1Confident24 Ų2446.2 Ų46.215%0.14723%0.234CC..Hα-helixtrans-63.6-44.7174.5-59.70000111T879 L922 A923 L924 A928 V929 Q930T879-T926 HydrophobicContact CG2-CG2 4.16Å; L922-T926 WeakPolarHBondContact O-CB 3.46Å; L922-T926 PolarHBondContact O-N 3.39Å; L922-T926 PolarHBondContact O-OG1 3.25Å; A923-T926 WeakPolarHBondContact O-CB 3.44Å; A923-T926 PolarHBondContact O-N 3.42Å; L924-T926 VanDerWaalsContact C-N 3.27Å; L924-T926 PolarHBondContact O-N 3.08Å; T926-A928 PolarHBondContact O-N 3.43Å; T926-V929 PolarHBondContact O-N 3Å; T926-Q930 WeakPolarHBondContact O-CB 3.28Å; T926-Q930 PolarHBondContact O-N 3.43Å
927V88.8Confident86.1Confident0 Ų045.9 Ų45.90%023%0.225CC..Hα-helixtrans-58.8-47.5171.8179.80000110.7L875 T879 L886 L890 M901 A923 L924 V929 Q930 A931L875-V927 HydrophobicContact CB-CG1 4.14Å; L875-V927 HydrophobicContact CB-CG2 4.22Å; L875-V927 HydrophobicContact CD1-CG1 4.39Å; T879-V927 HydrophobicContact CG2-CG2 3.77Å; L886-V927 HydrophobicContact CD1-CG2 4.4Å; L886-V927 HydrophobicContact CD2-CG2 3.94Å; L890-V927 HydrophobicContact CD2-CG1 4.28Å; M901-V927 HydrophobicContact CE-CG1 3.89Å; M901-V927 HydrophobicContact SD-CG1 3.66Å; A923-V927 PolarHBondContact O-N 3.01Å; L924-V927 WeakPolarHBondContact O-CB 3.47Å; L924-V927 PolarHBondContact O-N 3.18Å; V927-V929 PolarHBondContact O-N 2.9Å; V927-Q930 PolarHBondContact O-N 2.88Å; V927-A931 WeakPolarHBondContact O-CB 3.26Å; V927-A931 PolarHBondContact O-N 3.02Å
928A90.1Very high86Confident0 Ų046.8 Ų46.80%023%0.229CC..Hα-helixtrans-62.5-41.6-178.600000113.5A902 A905 A906 L924 L925 T926 T932 Y939A902-A928 HydrophobicContact CB-CB 4.46Å; A902-A928 WeakPolarHBondContact O-CB 3.45Å; A905-A928 HydrophobicContact CB-CB 4.1Å; A906-A928 HydrophobicContact CB-CB 4.23Å; L924-A928 PolarHBondContact O-N 2.93Å; L925-A928 PolarHBondContact O-N 3.14Å; T926-A928 PolarHBondContact O-N 3.43Å; A928-T932 PolarHBondContact O-N 3.44Å; A928-T932 PolarHBondContact O-OG1 3.19Å; A928-Y939 HydrophobicContact CB-CD2 4.27Å; A928-Y939 HydrophobicContact CB-CG 4.42Å
929V88.8Confident86.2Confident1 Ų143.9 Ų43.91%0.00622%0.218CC..Hα-helixtrans-66.8-48.4178.6169.30000111L925 T926 V927 T932 G933 H934 L940 R943L925-V929 WeakPolarHBondContact O-CB 3.47Å; L925-V929 VanDerWaalsContact O-CG2 3.24Å; L925-V929 WeakPolarHBondContact O-CG2 3.35Å; L925-V929 PolarHBondContact O-N 3.36Å; T926-V929 PolarHBondContact O-N 3Å; V927-V929 PolarHBondContact O-N 2.9Å; V929-T932 PolarHBondContact O-N 3.21Å; V929-T932 PolarHBondContact O-OG1 2.76Å; V929-G933 PolarHBondContact O-N 3.48Å; V929-H934 VanDerWaalsContact CG1-ND1 3.34Å; V929-H934 WeakPolarHBondContact CG1-ND1 3.47Å; V929-H934 PolarHBondContact O-N 3.13Å; V929-H934 VanDerWaalsContact O-N 3.12Å; V929-L940 HydrophobicContact CB-CD2 4.49Å; V929-L940 HydrophobicContact CG1-CD2 3.53Å; V929-L940 HydrophobicContact CG1-CG 4.47Å; V929-L940 HydrophobicContact CG2-CD2 4.07Å; V929-R943 HydrophobicContact CG2-CB 4.46Å
930Q87.4Confident86.3Confident29 Ų2938.9 Ų38.914%0.13619%0.191CC..Hα-helixtrans-66.9-40.4179.9-75.3178-35.300111.6S883 L886 L890 T926 V927 T932 G933S883-Q930 PolarHBondContact OG-NE2 2.73Å; L886-Q930 VanDerWaalsContact CG-OE1 3.32Å; L890-Q930 HydrophobicContact CD1-CB 3.64Å; T926-Q930 WeakPolarHBondContact O-CB 3.28Å; T926-Q930 PolarHBondContact O-N 3.43Å; V927-Q930 PolarHBondContact O-N 2.88Å; Q930-T932 PolarHBondContact O-N 3.45Å; Q930-T932 VanDerWaalsContact O-N 3.1Å; Q930-G933 PolarHBondContact O-N 3.01Å
931A86.3Confident86.5Confident9 Ų936.5 Ų36.57%0.07418%0.179CC..Hα-helixtrans-59.1-26.2177.100000113.1L890 R898 M901 A902 V927L890-A931 HydrophobicContact CD1-CB 4.17Å; L890-A931 HydrophobicContact CD2-CB 3.99Å; R898-A931 WeakPolarHBondContact CD-O 3.31Å; R898-A931 HydrophobicContact CG-CB 3.93Å; M901-A931 HydrophobicContact CE-CB 3.97Å; A902-A931 HydrophobicContact CB-CB 3.76Å; V927-A931 WeakPolarHBondContact O-CB 3.26Å; V927-A931 PolarHBondContact O-N 3.02Å
932T83.9Confident86.5Confident24 Ų2439.9 Ų39.915%0.14720%0.195CC..THydrogen-bonded Turntrans-103.57.2177.658.40000114.2A902 A928 V929 Q930 H934 R935 R936 Y939A902-T932 HydrophobicContact CB-CG2 3.8Å; A928-T932 PolarHBondContact O-N 3.44Å; A928-T932 PolarHBondContact O-OG1 3.19Å; V929-T932 PolarHBondContact O-N 3.21Å; V929-T932 PolarHBondContact O-OG1 2.76Å; Q930-T932 PolarHBondContact O-N 3.45Å; Q930-T932 VanDerWaalsContact O-N 3.1Å; T932-H934 VanDerWaalsContact C-N 3.3Å; T932-H934 PolarHBondContact O-N 3.24Å; T932-R935 VanDerWaalsContact O-CB 3.25Å; T932-R935 WeakPolarHBondContact O-CB 3.3Å; T932-R935 WeakPolarHBondContact O-CG 3.31Å; T932-R935 PolarHBondContact O-N 3.43Å; T932-R936 HydrophobicContact CG2-CG 4.12Å; T932-Y939 HydrophobicContact CG2-CD2 4.23Å; T932-Y939 HydrophobicContact CG2-CE2 3.85Å
933G77.8Confident86.6Confident48 Ų4839.8 Ų39.850%0.49519%0.193SC..THydrogen-bonded Turntrans57.540.4178.900000113V929 Q930 R935V929-G933 PolarHBondContact O-N 3.48Å; Q930-G933 PolarHBondContact O-N 3.01Å; G933-R935 PolarHBondContact O-N 3.48Å
934H77.5Confident86.7Confident86 Ų8639.2 Ų39.240%0.39819%0.188SC..THydrogen-bonded Turntrans57.612.5-175.6-56-96.1000114.5V929 T932 R936 K966V929-H934 VanDerWaalsContact CG1-ND1 3.34Å; V929-H934 WeakPolarHBondContact CG1-ND1 3.47Å; V929-H934 PolarHBondContact O-N 3.13Å; V929-H934 VanDerWaalsContact O-N 3.12Å; T932-H934 VanDerWaalsContact C-N 3.3Å; T932-H934 PolarHBondContact O-N 3.24Å; H934-R936 PolarHBondContact O-N 2.84Å; H934-K966 PolarHBondContact O-NZ 3.44Å
935R74.8Confident86.6Confident206 Ų20641.1 Ų41.178%0.77720%0.204SC*.  trans-73.2-28.6-175.3-66.2-170.4179.7-1571.5112.9T932 G933 P937 K966T932-R935 VanDerWaalsContact O-CB 3.25Å; T932-R935 WeakPolarHBondContact O-CB 3.3Å; T932-R935 WeakPolarHBondContact O-CG 3.31Å; T932-R935 PolarHBondContact O-N 3.43Å; G933-R935 PolarHBondContact O-N 3.48Å; R935-P937 VanDerWaalsContact O-CD 3.28Å; R935-P937 WeakPolarHBondContact O-CD 3.35Å; R935-K966 PolarHBondContact O-NZ 3.01Å
936R82.9Confident86.7Confident104 Ų10441.1 Ų41.139%0.39220%0.204SC..  trans-92.2104.8-177-71.9-76.4176.2168.9-7.4111.2T932 H934 Q938 Y939T932-R936 HydrophobicContact CG2-CG 4.12Å; H934-R936 PolarHBondContact O-N 2.84Å; R936-Q938 PolarHBondContact O-N 2.97Å; R936-Y939 HydrophobicContact CB-CD2 3.52Å; R936-Y939 HydrophobicContact CB-CE2 3.76Å; R936-Y939 HydrophobicContact CB-CG 4.11Å; R936-Y939 HydrophobicContact CG-CD2 4.11Å; R936-Y939 HydrophobicContact CG-CE2 3.84Å; R936-Y939 PolarHBondContact O-N 3.36Å
937P84.3Confident86.8Confident31 Ų3140.6 Ų40.620%0.20120%0.2CC..Hα-helixtrans-64.8-28.7-178.326.2-34.1000112.5R935 Y939 L940 R941 V963R935-P937 VanDerWaalsContact O-CD 3.28Å; R935-P937 WeakPolarHBondContact O-CD 3.35Å; P937-Y939 VanDerWaalsContact C-N 3.31Å; P937-Y939 PolarHBondContact O-N 3.1Å; P937-L940 PolarHBondContact O-N 3.49Å; P937-R941 WeakPolarHBondContact O-CG 3.47Å; P937-R941 PolarHBondContact O-N 3.19Å; P937-V963 HydrophobicContact CB-CG1 4.06Å; P937-V963 HydrophobicContact CB-CG2 4.12Å
938Q87.2Confident86.7Confident110 Ų11041.9 Ų41.951%0.51421%0.21SC..Hα-helixtrans-56.7-41.4177-69.4172.4-13.300112.9R936 R941 Q942R936-Q938 PolarHBondContact O-N 2.97Å; Q938-R941 PolarHBondContact O-N 3.15Å; Q938-Q942 WeakPolarHBondContact O-CG 3.43Å; Q938-Q942 PolarHBondContact O-N 3.41Å; Q938-Q942 VanDerWaalsContact O-N 3.11Å
939Y90.7Very high86.7Confident19 Ų1947.9 Ų47.98%0.07524%0.238CC..Hα-helixtrans-74-35.1-179.8-54.3-27.5000111.8Q903 A906 A928 T932 R936 P937 Q942 R943Q903-Y939 WeakPolarHBondContact CG-OH 3.47Å; A906-Y939 HydrophobicContact CB-CD1 3.58Å; A906-Y939 HydrophobicContact CB-CE1 3.4Å; A906-Y939 HydrophobicContact CB-CG 4.42Å; A928-Y939 HydrophobicContact CB-CD2 4.27Å; A928-Y939 HydrophobicContact CB-CG 4.42Å; T932-Y939 HydrophobicContact CG2-CD2 4.23Å; T932-Y939 HydrophobicContact CG2-CE2 3.85Å; R936-Y939 HydrophobicContact CB-CD2 3.52Å; R936-Y939 HydrophobicContact CB-CE2 3.76Å; R936-Y939 HydrophobicContact CB-CG 4.11Å; R936-Y939 HydrophobicContact CG-CD2 4.11Å; R936-Y939 HydrophobicContact CG-CE2 3.84Å; R936-Y939 PolarHBondContact O-N 3.36Å; P937-Y939 VanDerWaalsContact C-N 3.31Å; P937-Y939 PolarHBondContact O-N 3.1Å; Y939-Q942 PolarHBondContact O-N 2.95Å; Y939-R943 WeakPolarHBondContact O-CB 3.41Å; Y939-R943 PolarHBondContact O-N 3.48Å
940L88.7Confident86.7Confident4 Ų449.8 Ų49.82%0.02125%0.248CC..Hα-helixtrans-62.7-42.6172.6-67173.5000111.1V929 P937 R943 A944 D959 V963V929-L940 HydrophobicContact CB-CD2 4.49Å; V929-L940 HydrophobicContact CG1-CD2 3.53Å; V929-L940 HydrophobicContact CG1-CG 4.47Å; V929-L940 HydrophobicContact CG2-CD2 4.07Å; P937-L940 PolarHBondContact O-N 3.49Å; L940-R943 PolarHBondContact O-N 2.68Å; L940-A944 VanDerWaalsContact O-CB 3.27Å; L940-A944 WeakPolarHBondContact O-CB 3.37Å; L940-A944 PolarHBondContact O-N 3.4Å; L940-D959 HydrophobicContact CB-CB 4.49Å; L940-D959 HydrophobicContact CD2-CB 4.34Å; L940-V963 HydrophobicContact CB-CG2 3.5Å; L940-V963 VanDerWaalsContact CB-CG2 3.5Å; L940-V963 HydrophobicContact CD1-CG2 3.84Å; L940-V963 HydrophobicContact CG-CG2 4.32Å
941R89.4Confident86.8Confident32 Ų3251.7 Ų51.712%0.12127%0.269CS..Hα-helixtrans-60.5-47175.2-69.8178-171.31259112.3P937 Q938 R943 A944 A945 V963 H967 I976 D980P937-R941 WeakPolarHBondContact O-CG 3.47Å; P937-R941 PolarHBondContact O-N 3.19Å; Q938-R941 PolarHBondContact O-N 3.15Å; R941-R943 VanDerWaalsContact C-N 3.32Å; R941-R943 PolarHBondContact O-N 3.28Å; R941-A944 PolarHBondContact O-N 3.03Å; R941-A945 WeakPolarHBondContact O-CB 3.27Å; R941-A945 PolarHBondContact O-N 3.37Å; R941-V963 HydrophobicContact CG-CG1 4.38Å; R941-V963 HydrophobicContact CG-CG2 4.34Å; R941-H967 PolarHBondContact NH2-CE1 3.28Å; R941-H967 VanDerWaalsContact NH2-CE1 3.27Å; R941-I976 VanDerWaalsContact CZ-CG2 3.42Å; R941-D980 VanDerWaalsContact CD-OD1 3.25Å; R941-D980 WeakPolarHBondContact CD-OD1 3.23Å; R941-D980 WeakPolarHBondContact CG-OD1 3.37Å; R941-D980 IonicContact CZ-OD2 2.78Å; R941-D980 VanDerWaalsContact CZ-OD2 3.31Å; R941-D980 VanDerWaalsContact NE-CG 3.32Å; R941-D980 IonicContact NE-OD1 3.32Å; R941-D980 PolarHBondContact NE-OD1 3.08Å; R941-D980 IonicContact NE-OD2 3.2Å; R941-D980 PolarHBondContact NE-OD2 3.39Å; R941-D980 IonicContact NH2-OD2 2.88Å; R941-D980 PolarHBondContact NH2-OD2 2.98Å
942Q89.7Confident86.9Confident71 Ų7156.1 Ų56.133%0.33229%0.287SS..Hα-helixtrans-61.6-41.5177.5-73174.6-19.800111.3L925 Q938 Y939 A945 C946L925-Q942 HydrophobicContact CD1-CB 3.93Å; L925-Q942 HydrophobicContact CD2-CB 3.6Å; L925-Q942 HydrophobicContact CG-CB 4.42Å; Q938-Q942 WeakPolarHBondContact O-CG 3.43Å; Q938-Q942 PolarHBondContact O-N 3.41Å; Q938-Q942 VanDerWaalsContact O-N 3.11Å; Y939-Q942 PolarHBondContact O-N 2.95Å; Q942-A945 PolarHBondContact O-N 2.97Å; Q942-C946 PolarHBondContact O-N 2.7Å; Q942-C946 VanDerWaalsContact O-N 3.14Å; Q942-C946 PolarHBondContact O-SG 3.03Å
943R91.4Very high87.2Confident20 Ų2056.4 Ų56.48%0.07529%0.286CS..Hα-helixtrans-70.1-42.2179-161.1172.966.6172.20.6112.4L922 L925 V929 Y939 L940 R941 A945 C946 F947 D959L922-R943 HydrophobicContact CD1-CG 3.66Å; L925-R943 HydrophobicContact CB-CB 4.02Å; L925-R943 HydrophobicContact CB-CG 4.02Å; V929-R943 HydrophobicContact CG2-CB 4.46Å; Y939-R943 WeakPolarHBondContact O-CB 3.41Å; Y939-R943 PolarHBondContact O-N 3.48Å; L940-R943 PolarHBondContact O-N 2.68Å; R941-R943 VanDerWaalsContact C-N 3.32Å; R941-R943 PolarHBondContact O-N 3.28Å; R943-A945 VanDerWaalsContact C-N 3.3Å; R943-A945 PolarHBondContact O-N 2.85Å; R943-C946 WeakPolarHBondContact O-CB 3.28Å; R943-C946 PolarHBondContact O-N 2.97Å; R943-C946 VanDerWaalsContact O-N 3.15Å; R943-F947 HydrophobicContact CG-CD2 4.07Å; R943-F947 HydrophobicContact CG-CE2 3.75Å; R943-F947 HydrophobicContact CG-CZ 4.45Å; R943-F947 WeakPolarHBondContact O-CD2 3.23Å; R943-F947 PolarHBondContact O-N 3.26Å; R943-D959 IonicContact CZ-OD1 3.82Å; R943-D959 IonicContact CZ-OD2 3.39Å; R943-D959 IonicContact NE-OD1 2.66Å; R943-D959 IonicContact NE-OD2 3.87Å; R943-D959 PolarHBondContact NE-OD2 3.29Å; R943-D959 VanDerWaalsContact NH2-CG 3.35Å; R943-D959 IonicContact NH2-OD1 2.97Å; R943-D959 PolarHBondContact NH2-OD1 3.02Å; R943-D959 IonicContact NH2-OD2 3.15Å; R943-D959 PolarHBondContact NH2-OD2 3.42Å
944A90.9Very high87.8Confident3 Ų361.4 Ų61.43%0.02530%0.297CS..Hα-helixtrans-60.5-39.8174.400000112L940 R941 F947 A948 A956 D959 L960L940-A944 VanDerWaalsContact O-CB 3.27Å; L940-A944 WeakPolarHBondContact O-CB 3.37Å; L940-A944 PolarHBondContact O-N 3.4Å; R941-A944 PolarHBondContact O-N 3.03Å; A944-F947 PolarHBondContact O-N 2.91Å; A944-A948 WeakPolarHBondContact O-CB 3.47Å; A944-A948 PolarHBondContact O-N 3.11Å; A944-A956 HydrophobicContact CB-CB 4.39Å; A944-D959 HydrophobicContact CB-CB 4.02Å; A944-L960 HydrophobicContact CB-CD1 4.21Å; A944-L960 HydrophobicContact CB-CD2 3.99Å; A944-L960 HydrophobicContact CB-CG 3.74Å
945A89.6Confident88.3Confident41 Ų4164.8 Ų64.834%0.33931%0.306SS..Hα-helixtrans-61.3-45173.300000111.5R941 Q942 R943 A948 Q949R941-A945 WeakPolarHBondContact O-CB 3.27Å; R941-A945 PolarHBondContact O-N 3.37Å; Q942-A945 PolarHBondContact O-N 2.97Å; R943-A945 VanDerWaalsContact C-N 3.3Å; R943-A945 PolarHBondContact O-N 2.85Å; A945-A948 PolarHBondContact O-N 3.25Å; A945-Q949 WeakPolarHBondContact O-CG 3.35Å; A945-Q949 PolarHBondContact O-N 3.23Å
946C90.6Very high89.1Confident2 Ų255 Ų551%0.01427%0.269CS..Hα-helixtrans-62.7-42.9175.5-65.20000112.3L922 L925 Q942 R943 A948 Q949 L950L922-C946 HydrophobicContact CB-CB 4.33Å; L922-C946 HydrophobicContact CD1-CB 3.94Å; L925-C946 VanDerWaalsContact CD1-SG 3.54Å; Q942-C946 PolarHBondContact O-N 2.7Å; Q942-C946 VanDerWaalsContact O-N 3.14Å; Q942-C946 PolarHBondContact O-SG 3.03Å; R943-C946 WeakPolarHBondContact O-CB 3.28Å; R943-C946 PolarHBondContact O-N 2.97Å; R943-C946 VanDerWaalsContact O-N 3.15Å; C946-A948 VanDerWaalsContact C-N 3.35Å; C946-A948 PolarHBondContact O-N 2.99Å; C946-Q949 PolarHBondContact O-N 2.9Å; C946-L950 WeakPolarHBondContact O-CG 3.47Å; C946-L950 PolarHBondContact O-N 3.4Å
947F91.3Very high89.5Confident13 Ų1350.4 Ų50.46%0.05725%0.252CS..Hα-helixtrans-61.3-42.4175.5-80.4-50.5000112.2L922 R943 A944 Q949 L950 A951 F952 R955 A956L922-F947 HydrophobicContact CD1-CD1 3.62Å; L922-F947 HydrophobicContact CD1-CD2 4.07Å; L922-F947 HydrophobicContact CD1-CE1 3.54Å; L922-F947 HydrophobicContact CD1-CE2 3.99Å; L922-F947 HydrophobicContact CD1-CG 3.89Å; L922-F947 HydrophobicContact CD1-CZ 3.73Å; L922-F947 HydrophobicContact CD2-CD1 3.92Å; L922-F947 HydrophobicContact CD2-CE1 3.61Å; L922-F947 HydrophobicContact CD2-CZ 4.39Å; L922-F947 HydrophobicContact CG-CD1 4.41Å; L922-F947 HydrophobicContact CG-CE1 4.08Å; L922-F947 HydrophobicContact CG-CZ 4.44Å; R943-F947 HydrophobicContact CG-CD2 4.07Å; R943-F947 HydrophobicContact CG-CE2 3.75Å; R943-F947 HydrophobicContact CG-CZ 4.45Å; R943-F947 WeakPolarHBondContact O-CD2 3.23Å; R943-F947 PolarHBondContact O-N 3.26Å; A944-F947 PolarHBondContact O-N 2.91Å; F947-Q949 VanDerWaalsContact C-N 3.34Å; F947-Q949 PolarHBondContact O-N 3.28Å; F947-L950 CarbonylContact O-C 3.42Å; F947-L950 PolarHBondContact O-N 3.05Å; F947-A951 PolarHBondContact O-N 2.91Å; F947-F952 HydrophobicContact CB-CB 4.25Å; F947-F952 HydrophobicContact CD1-CB 3.79Å; F947-F952 HydrophobicContact CD1-CD2 4.22Å; F947-F952 HydrophobicContact CD1-CG 4.37Å; F947-F952 HydrophobicContact CG-CB 4.4Å; F947-F952 PolarHBondContact O-N 3.37Å; F947-R955 HydrophobicContact CD1-CB 4.09Å; F947-R955 HydrophobicContact CD2-CB 3.96Å; F947-R955 HydrophobicContact CE1-CB 4.07Å; F947-R955 HydrophobicContact CE2-CB 3.94Å; F947-R955 HydrophobicContact CG-CB 4.05Å; F947-R955 HydrophobicContact CZ-CB 4Å; F947-A956 HydrophobicContact CB-CB 3.81Å
948A88.5Confident89.7Confident26 Ų2651.7 Ų51.722%0.21527%0.266CS..Hα-helixtrans-63.5-39177.500000112.1A944 A945 C946 L950 A951 H953 A956A944-A948 WeakPolarHBondContact O-CB 3.47Å; A944-A948 PolarHBondContact O-N 3.11Å; A945-A948 PolarHBondContact O-N 3.25Å; C946-A948 VanDerWaalsContact C-N 3.35Å; C946-A948 PolarHBondContact O-N 2.99Å; A948-L950 VanDerWaalsContact C-N 3.32Å; A948-L950 PolarHBondContact O-N 3.37Å; A948-A951 PolarHBondContact O-N 3.18Å; A948-H953 PolarHBondContact O-CE1 2.89Å; A948-H953 VanDerWaalsContact O-CE1 3.28Å; A948-A956 HydrophobicContact CB-CB 4.43Å
949Q89.4Confident89.8Confident127 Ų12747.1 Ų47.159%0.59325%0.245SC*.Hα-helixtrans-68-30.5175-67.2-59.6-23.700113W918 A945 C946 F947 A951W918-Q949 HydrophobicContact CD2-CB 3.98Å; W918-Q949 HydrophobicContact CD2-CG 4.28Å; W918-Q949 HydrophobicContact CE3-CB 4.23Å; W918-Q949 HydrophobicContact CE3-CG 4.22Å; W918-Q949 HydrophobicContact CG-CB 4.29Å; W918-Q949 HydrophobicContact CH2-CG 4.09Å; W918-Q949 HydrophobicContact CZ2-CG 4.14Å; W918-Q949 HydrophobicContact CZ3-CG 4.12Å; A945-Q949 WeakPolarHBondContact O-CG 3.35Å; A945-Q949 PolarHBondContact O-N 3.23Å; C946-Q949 PolarHBondContact O-N 2.9Å; F947-Q949 VanDerWaalsContact C-N 3.34Å; F947-Q949 PolarHBondContact O-N 3.28Å; Q949-A951 VanDerWaalsContact C-N 3.28Å
950L89Confident89.8Confident40 Ų4046.4 Ų46.421%0.20924%0.242CC..THydrogen-bonded Turntrans-87.510175.5-68.9170000113.5W918 N919 L922 C946 F947 A948 F952W918-L950 HydrophobicContact CB-CD1 4.04Å; W918-L950 HydrophobicContact CB-CD2 3.83Å; W918-L950 HydrophobicContact CB-CG 3.81Å; N919-L950 WeakPolarHBondContact OD1-CD1 3.37Å; L922-L950 HydrophobicContact CB-CD1 4.39Å; L922-L950 HydrophobicContact CD2-CD1 3.85Å; C946-L950 WeakPolarHBondContact O-CG 3.47Å; C946-L950 PolarHBondContact O-N 3.4Å; F947-L950 CarbonylContact O-C 3.42Å; F947-L950 PolarHBondContact O-N 3.05Å; A948-L950 VanDerWaalsContact C-N 3.32Å; A948-L950 PolarHBondContact O-N 3.37Å; L950-F952 HydrophobicContact CB-CD2 3.64Å; L950-F952 HydrophobicContact CB-CE2 3.97Å; L950-F952 PolarHBondContact O-N 3.44Å
951A88.2Confident89.7Confident69 Ų6948.5 Ų48.557%0.5725%0.254SS*.THydrogen-bonded Turntrans61.215.7-177.100000116F947 A948 Q949 H953F947-A951 PolarHBondContact O-N 2.91Å; A948-A951 PolarHBondContact O-N 3.18Å; Q949-A951 VanDerWaalsContact C-N 3.28Å; A951-H953 PolarHBondContact O-CD2 3.42Å; A951-H953 PolarHBondContact O-N 2.9Å; A951-H953 VanDerWaalsContact O-N 3.08Å
952F90.1Very high89.5Confident103 Ų10348.1 Ų48.145%0.45226%0.26SS..  trans-85.860.4173.2-65.5-62.8000111.5F947 L950 E954 R955 A956F947-F952 HydrophobicContact CB-CB 4.25Å; F947-F952 HydrophobicContact CD1-CB 3.79Å; F947-F952 HydrophobicContact CD1-CD2 4.22Å; F947-F952 HydrophobicContact CD1-CG 4.37Å; F947-F952 HydrophobicContact CG-CB 4.4Å; F947-F952 PolarHBondContact O-N 3.37Å; L950-F952 HydrophobicContact CB-CD2 3.64Å; L950-F952 HydrophobicContact CB-CE2 3.97Å; L950-F952 PolarHBondContact O-N 3.44Å; F952-E954 VanDerWaalsContact C-N 3.34Å; F952-E954 PolarHBondContact O-N 3.33Å; F952-R955 PolarHBondContact O-N 2.91Å; F952-A956 PolarHBondContact O-N 3.38Å; F952-A956 VanDerWaalsContact O-N 3.16Å
953H90.3Very high89.3Confident30 Ų3044.8 Ų44.814%0.13924%0.244CC..Hα-helixtrans-63-33.5-170.5-64.3-60.5000114.2A948 A951 R955 A956 V957 L990 C991A948-H953 PolarHBondContact O-CE1 2.89Å; A948-H953 VanDerWaalsContact O-CE1 3.28Å; A951-H953 PolarHBondContact O-CD2 3.42Å; A951-H953 PolarHBondContact O-N 2.9Å; A951-H953 VanDerWaalsContact O-N 3.08Å; H953-R955 PolarHBondContact O-N 3.05Å; H953-A956 WeakPolarHBondContact O-CB 3.5Å; H953-A956 PolarHBondContact O-N 3.49Å; H953-V957 VanDerWaalsContact O-CG2 3.31Å; H953-V957 WeakPolarHBondContact O-CG2 3.49Å; H953-V957 PolarHBondContact O-N 3.38Å; H953-L990 HydrophobicContact CB-CB 4.48Å; H953-L990 WeakPolarHBondContact CE1-CD1 3.43Å; H953-L990 WeakPolarHBondContact NE2-CD1 3.25Å; H953-C991 WeakPolarHBondContact CB-SG 3.47Å
954E89.1Confident89.1Confident153 Ų15344.4 Ų44.472%0.71524%0.243SC*.Hα-helixtrans-63.2-40.8177.1-65.3-171.9157.800112.9F952 V957 A958F952-E954 VanDerWaalsContact C-N 3.34Å; F952-E954 PolarHBondContact O-N 3.33Å; E954-V957 PolarHBondContact O-N 2.94Å; E954-A958 PolarHBondContact O-N 3.2Å; E954-A958 VanDerWaalsContact O-N 3.09Å
955R88.7Confident88.6Confident157 Ų15751.3 Ų51.359%0.59228%0.275SS*.Hα-helixtrans-72.2-34.2177-66.1-174.6-179.8-179.70.6111.7F947 F952 H953 V957 A958 D959F947-R955 HydrophobicContact CD1-CB 4.09Å; F947-R955 HydrophobicContact CD2-CB 3.96Å; F947-R955 HydrophobicContact CE1-CB 4.07Å; F947-R955 HydrophobicContact CE2-CB 3.94Å; F947-R955 HydrophobicContact CG-CB 4.05Å; F947-R955 HydrophobicContact CZ-CB 4Å; F952-R955 PolarHBondContact O-N 2.91Å; H953-R955 PolarHBondContact O-N 3.05Å; R955-V957 VanDerWaalsContact C-N 3.33Å; R955-A958 PolarHBondContact O-N 2.95Å; R955-D959 PolarHBondContact O-N 3.45Å; R955-D959 VanDerWaalsContact O-N 3.12Å
956A91.1Very high87.9Confident0 Ų052.7 Ų52.70%027%0.274CS..Hα-helixtrans-62.1-42.3172.300000111.4A944 F947 A948 F952 H953 D959 L960A944-A956 HydrophobicContact CB-CB 4.39Å; F947-A956 HydrophobicContact CB-CB 3.81Å; A948-A956 HydrophobicContact CB-CB 4.43Å; F952-A956 PolarHBondContact O-N 3.38Å; F952-A956 VanDerWaalsContact O-N 3.16Å; H953-A956 WeakPolarHBondContact O-CB 3.5Å; H953-A956 PolarHBondContact O-N 3.49Å; A956-D959 PolarHBondContact O-N 3.24Å; A956-L960 WeakPolarHBondContact O-CB 3.41Å; A956-L960 VanDerWaalsContact O-CG 3.26Å; A956-L960 WeakPolarHBondContact O-CG 3.49Å; A956-L960 PolarHBondContact O-N 3.02Å
957V91.3Very high87.1Confident7 Ų753.9 Ų53.94%0.04228%0.279CS..Hα-helixtrans-61.3-46.9175170.40000110.8H953 E954 R955 D959 L960 D961 R984 L988H953-V957 VanDerWaalsContact O-CG2 3.31Å; H953-V957 WeakPolarHBondContact O-CG2 3.49Å; H953-V957 PolarHBondContact O-N 3.38Å; E954-V957 PolarHBondContact O-N 2.94Å; R955-V957 VanDerWaalsContact C-N 3.33Å; V957-D959 VanDerWaalsContact C-N 3.34Å; V957-D959 PolarHBondContact O-N 2.89Å; V957-L960 CarbonylContact O-C 3.52Å; V957-L960 PolarHBondContact O-N 2.98Å; V957-L960 VanDerWaalsContact O-N 3.15Å; V957-D961 WeakPolarHBondContact O-CB 3.36Å; V957-D961 VanDerWaalsContact O-CG 3.24Å; V957-D961 PolarHBondContact O-N 3.4Å; V957-R984 HydrophobicContact CG1-CG 4.24Å; V957-R984 HydrophobicContact CG2-CG 4.36Å; V957-L988 HydrophobicContact CG1-CD2 3.87Å; V957-L988 HydrophobicContact CG1-CG 4.36Å; V957-L988 HydrophobicContact CG2-CD2 3.94Å; V957-L988 HydrophobicContact CG2-CG 3.93Å
958A88.3Confident85.7Confident58 Ų5857.4 Ų57.448%0.47931%0.311SS..Hα-helixtrans-60-40.2179.300000113.3E954 R955 G962E954-A958 PolarHBondContact O-N 3.2Å; E954-A958 VanDerWaalsContact O-N 3.09Å; R955-A958 PolarHBondContact O-N 2.95Å; A958-G962 PolarHBondContact O-N 3.28Å
959D90.3Very high84.3Confident14 Ų1460.7 Ų60.78%0.07533%0.332CS..Hα-helixtrans-66.9-41.6175.1-85.4-7.1000112L940 R943 A944 R955 A956 V957 G962 V963L940-D959 HydrophobicContact CB-CB 4.49Å; L940-D959 HydrophobicContact CD2-CB 4.34Å; R943-D959 IonicContact CZ-OD1 3.82Å; R943-D959 IonicContact CZ-OD2 3.39Å; R943-D959 IonicContact NE-OD1 2.66Å; R943-D959 IonicContact NE-OD2 3.87Å; R943-D959 PolarHBondContact NE-OD2 3.29Å; R943-D959 VanDerWaalsContact NH2-CG 3.35Å; R943-D959 IonicContact NH2-OD1 2.97Å; R943-D959 PolarHBondContact NH2-OD1 3.02Å; R943-D959 IonicContact NH2-OD2 3.15Å; R943-D959 PolarHBondContact NH2-OD2 3.42Å; A944-D959 HydrophobicContact CB-CB 4.02Å; R955-D959 PolarHBondContact O-N 3.45Å; R955-D959 VanDerWaalsContact O-N 3.12Å; A956-D959 PolarHBondContact O-N 3.24Å; V957-D959 VanDerWaalsContact C-N 3.34Å; V957-D959 PolarHBondContact O-N 2.89Å; D959-G962 PolarHBondContact O-N 2.72Å; D959-V963 WeakPolarHBondContact O-CG2 3.38Å; D959-V963 PolarHBondContact O-N 3.05Å
960L89.2Confident82.7Confident4 Ų458.2 Ų58.22%0.02133%0.328CS..Hα-helixtrans-70.3-33.1178.4-69.1168.6000112.3A944 A956 V957 G962 V963 I964 R983 R984A944-L960 HydrophobicContact CB-CD1 4.21Å; A944-L960 HydrophobicContact CB-CD2 3.99Å; A944-L960 HydrophobicContact CB-CG 3.74Å; A956-L960 WeakPolarHBondContact O-CB 3.41Å; A956-L960 VanDerWaalsContact O-CG 3.26Å; A956-L960 WeakPolarHBondContact O-CG 3.49Å; A956-L960 PolarHBondContact O-N 3.02Å; V957-L960 CarbonylContact O-C 3.52Å; V957-L960 PolarHBondContact O-N 2.98Å; V957-L960 VanDerWaalsContact O-N 3.15Å; L960-G962 VanDerWaalsContact C-N 3.32Å; L960-G962 PolarHBondContact O-N 3.19Å; L960-V963 WeakPolarHBondContact O-CB 3.5Å; L960-V963 PolarHBondContact O-N 2.91Å; L960-V963 VanDerWaalsContact O-N 3.14Å; L960-I964 WeakPolarHBondContact O-CB 3.42Å; L960-I964 WeakPolarHBondContact O-CD1 3.35Å; L960-I964 VanDerWaalsContact O-CG1 3.26Å; L960-I964 WeakPolarHBondContact O-CG1 3.31Å; L960-I964 PolarHBondContact O-N 3.1Å; L960-R983 HydrophobicContact CD1-CB 4.08Å; L960-R984 HydrophobicContact CB-CB 4.03Å; L960-R984 HydrophobicContact CB-CG 4.21Å; L960-R984 HydrophobicContact CD1-CB 3.94Å
961D88.2Confident81.1Confident49 Ų4962.6 Ų62.626%0.26236%0.362SS..Hα-helixtrans-57.7-46.7171.5-75.1-25.1000110.8V957 V963 I964 Q965 R984V957-D961 WeakPolarHBondContact O-CB 3.36Å; V957-D961 VanDerWaalsContact O-CG 3.24Å; V957-D961 PolarHBondContact O-N 3.4Å; D961-V963 VanDerWaalsContact C-N 3.26Å; D961-V963 PolarHBondContact O-N 3.35Å; D961-I964 PolarHBondContact O-N 3.47Å; D961-Q965 WeakPolarHBondContact O-CB 3.44Å; D961-Q965 WeakPolarHBondContact O-CG 3.4Å; D961-Q965 PolarHBondContact O-N 3.36Å; D961-R984 WeakPolarHBondContact OD1-CD 3.2Å; D961-R984 IonicContact OD1-CZ 3.87Å; D961-R984 IonicContact OD1-NE 2.69Å; D961-R984 IonicContact OD1-NH1 3.93Å; D961-R984 PolarHBondContact OD1-NH1 3.39Å
962G83.7Confident79.9Confident24 Ų2462.2 Ų62.225%0.24735%0.35CS..Hα-helixtrans-64.4-28.1176.500000113.8A958 D959 L960A958-G962 PolarHBondContact O-N 3.28Å; D959-G962 PolarHBondContact O-N 2.72Å; L960-G962 VanDerWaalsContact C-N 3.32Å; L960-G962 PolarHBondContact O-N 3.19Å
963V87.3Confident79.2Confident0 Ų061.1 Ų61.10%035%0.349CS..Hα-helixtrans-74.7-47.1172.3176.60000110.5P937 L940 R941 D959 L960 D961 Q965 K966 H967 D980P937-V963 HydrophobicContact CB-CG1 4.06Å; P937-V963 HydrophobicContact CB-CG2 4.12Å; L940-V963 HydrophobicContact CB-CG2 3.5Å; L940-V963 VanDerWaalsContact CB-CG2 3.5Å; L940-V963 HydrophobicContact CD1-CG2 3.84Å; L940-V963 HydrophobicContact CG-CG2 4.32Å; R941-V963 HydrophobicContact CG-CG1 4.38Å; R941-V963 HydrophobicContact CG-CG2 4.34Å; D959-V963 WeakPolarHBondContact O-CG2 3.38Å; D959-V963 PolarHBondContact O-N 3.05Å; L960-V963 WeakPolarHBondContact O-CB 3.5Å; L960-V963 PolarHBondContact O-N 2.91Å; L960-V963 VanDerWaalsContact O-N 3.14Å; D961-V963 VanDerWaalsContact C-N 3.26Å; D961-V963 PolarHBondContact O-N 3.35Å; V963-Q965 PolarHBondContact O-N 3.04Å; V963-K966 WeakPolarHBondContact O-CB 3.48Å; V963-K966 PolarHBondContact O-N 3Å; V963-K966 VanDerWaalsContact O-N 3.14Å; V963-H967 PolarHBondContact O-N 3.34Å; V963-D980 WeakPolarHBondContact CG1-OD2 3.38Å
964I85.8Confident78.7Confident12 Ų1262.9 Ų62.96%0.06236%0.363CS..Hα-helixtrans-69-34.7-175.3-68.4161.6000112.4L960 D961 K966 H967 D980 L981 R984L960-I964 WeakPolarHBondContact O-CB 3.42Å; L960-I964 WeakPolarHBondContact O-CD1 3.35Å; L960-I964 VanDerWaalsContact O-CG1 3.26Å; L960-I964 WeakPolarHBondContact O-CG1 3.31Å; L960-I964 PolarHBondContact O-N 3.1Å; D961-I964 PolarHBondContact O-N 3.47Å; I964-K966 PolarHBondContact O-N 3.4Å; I964-H967 WeakPolarHBondContact O-CB 3.25Å; I964-H967 PolarHBondContact O-N 3.33Å; I964-D980 HydrophobicContact CG1-CB 4.29Å; I964-L981 HydrophobicContact CD1-CD2 3.99Å; I964-L981 HydrophobicContact CG1-CD2 4.46Å; I964-L981 HydrophobicContact CG2-CD2 4.25Å; I964-R984 HydrophobicContact CD1-CB 3.99Å; I964-R984 HydrophobicContact CD1-CG 4.42Å; I964-R984 VanDerWaalsContact CD1-CZ 3.48Å
965Q81.9Confident78.3Confident148 Ų14862 Ų6269%0.69235%0.353SS*.Hα-helixtrans-60.1-32.1173.2-75.7176.54.300112.4D961 V963D961-Q965 WeakPolarHBondContact O-CB 3.44Å; D961-Q965 WeakPolarHBondContact O-CG 3.4Å; D961-Q965 PolarHBondContact O-N 3.36Å; V963-Q965 PolarHBondContact O-N 3.04Å
966K74.4Confident78.1Confident71 Ų7157.4 Ų57.431%0.30934%0.339SS..Hα-helixtrans-77.7-25.8178.1-69179.3179175.90113.4H934 R935 V963 I964 A968 S969 C970H934-K966 PolarHBondContact O-NZ 3.44Å; R935-K966 PolarHBondContact O-NZ 3.01Å; V963-K966 WeakPolarHBondContact O-CB 3.48Å; V963-K966 PolarHBondContact O-N 3Å; V963-K966 VanDerWaalsContact O-N 3.14Å; I964-K966 PolarHBondContact O-N 3.4Å; K966-A968 PolarHBondContact O-N 3.46Å; K966-S969 PolarHBondContact O-N 3.32Å; K966-S969 PolarHBondContact O-OG 3.24Å; K966-C970 PolarHBondContact O-N 3.03Å
967H73.4Confident77.8Confident26 Ų2658.1 Ų58.112%0.1234%0.344CS..Hα-helixtrans-59.6-27.1173.2-68.5-41.2000112.6R941 V963 I964 S969 D972 C977 D980R941-H967 PolarHBondContact NH2-CE1 3.28Å; R941-H967 VanDerWaalsContact NH2-CE1 3.27Å; V963-H967 PolarHBondContact O-N 3.34Å; I964-H967 WeakPolarHBondContact O-CB 3.25Å; I964-H967 PolarHBondContact O-N 3.33Å; H967-S969 PolarHBondContact O-N 2.94Å; H967-D972 IonicContact CE1-OD2 3.41Å; H967-D972 PolarHBondContact CE1-OD2 3.01Å; H967-D972 IonicContact ND1-OD2 3.92Å; H967-D972 PolarHBondContact ND1-OD2 2.89Å; H967-C977 PolarHBondContact ND1-SG 3.16Å; H967-D980 IonicContact CD2-OD2 2.61Å; H967-D980 IonicContact CE1-OD2 3.64Å; H967-D980 IonicContact NE2-OD2 3.16Å; H967-D980 PolarHBondContact NE2-OD2 3.27Å
968A61.2Low77.5Confident88 Ų8857.8 Ų57.873%0.72734%0.342SS*.THydrogen-bonded Turntrans-71.5-17.5174.100000113.6K966K966-A968 PolarHBondContact O-N 3.46Å
969S58.6Low77.5Confident94 Ų9458 Ų5866%0.65733%0.333SS*.THydrogen-bonded Turntrans-108.8-12.7-175.463.40000114.8K966 H967K966-S969 PolarHBondContact O-N 3.32Å; K966-S969 PolarHBondContact O-OG 3.24Å; H967-S969 PolarHBondContact O-N 2.94Å
970C55.9Low77.5Confident76 Ų7657.3 Ų57.351%0.51433%0.33SS..SBendtrans-126.4147.4-176.5-91.90000112.3K966 D972K966-C970 PolarHBondContact O-N 3.03Å; C970-D972 PolarHBondContact O-N 3.44Å
971S56.8Low77.5Confident131 Ų13157.2 Ų57.292%0.91633%0.329SS*.  trans-75.960.3170.1170.40000111.2
972D61.9Low77.5Confident61 Ų6155.1 Ų55.133%0.32632%0.318SS..  trans-77.1149.7176.9-83.612.7000111.2H967 C970H967-D972 IonicContact CE1-OD2 3.41Å; H967-D972 PolarHBondContact CE1-OD2 3.01Å; H967-D972 IonicContact ND1-OD2 3.92Å; H967-D972 PolarHBondContact ND1-OD2 2.89Å; C970-D972 PolarHBondContact O-N 3.44Å
973D76.9Confident77.8Confident80 Ų8058.6 Ų58.643%0.42832%0.324SS..  trans-54.7123.4177.5178.9-11.6000110.3R975 I976 C977D973-R975 PolarHBondContact O-N 2.9Å; D973-R975 WeakPolarHBondContact OD1-CB 3.42Å; D973-R975 PolarHBondContact OD1-N 3.47Å; D973-I976 HydrophobicContact CB-CD1 4.08Å; D973-I976 HydrophobicContact CB-CG1 4.2Å; D973-I976 PolarHBondContact O-N 3.31Å; D973-C977 PolarHBondContact O-N 3.47Å
974P78.3Confident78Confident67 Ų6760.4 Ų60.444%0.43533%0.331SS..Hα-helixtrans-55.3-25.8-177.419.5-31.7000113.6V978P974-V978 VanDerWaalsContact O-CG2 3.28Å; P974-V978 WeakPolarHBondContact O-CG2 3.38Å; P974-V978 PolarHBondContact O-N 3.41Å; P974-V978 VanDerWaalsContact O-N 3.09Å
975R81.8Confident78.2Confident136 Ų13659.8 Ų59.851%0.51333%0.328SS..Hα-helixtrans-65.7-38.7176.2-66178.4176.1-177.90.3112.9D973 V978 E979 Q1011D973-R975 PolarHBondContact O-N 2.9Å; D973-R975 WeakPolarHBondContact OD1-CB 3.42Å; D973-R975 PolarHBondContact OD1-N 3.47Å; R975-V978 PolarHBondContact O-N 2.9Å; R975-E979 PolarHBondContact O-N 3.34Å; R975-E979 VanDerWaalsContact O-N 3.08Å; R975-Q1011 HydrophobicContact CB-CG 4.31Å
976I83.6Confident78.6Confident59 Ų5955 Ų5530%0.30331%0.305SS..Hα-helixtrans-71.8-41.2180-58.9175.8000109.9R941 D973 V978 E979 D980R941-I976 VanDerWaalsContact CZ-CG2 3.42Å; D973-I976 HydrophobicContact CB-CD1 4.08Å; D973-I976 HydrophobicContact CB-CG1 4.2Å; D973-I976 PolarHBondContact O-N 3.31Å; I976-V978 VanDerWaalsContact C-N 3.29Å; I976-V978 PolarHBondContact O-N 2.96Å; I976-E979 PolarHBondContact O-N 3.21Å; I976-D980 PolarHBondContact O-N 3.31Å
977C84.1Confident79.4Confident15 Ų1551.8 Ų51.810%0.10129%0.291CS..Hα-helixtrans-58.2-42.7174.8-63.80000111.7H967 D973 D980 L981 L1007H967-C977 PolarHBondContact ND1-SG 3.16Å; D973-C977 PolarHBondContact O-N 3.47Å; C977-D980 PolarHBondContact O-N 3.01Å; C977-L981 WeakPolarHBondContact O-CB 3.42Å; C977-L981 VanDerWaalsContact O-CG 3.31Å; C977-L981 WeakPolarHBondContact O-CG 3.35Å; C977-L981 PolarHBondContact O-N 3.48Å; C977-L1007 HydrophobicContact CB-CD1 4.48Å
978V86.8Confident80.2Confident0 Ų050.8 Ų50.80%029%0.287CS..Hα-helixtrans-64.2-43176.71640000111.7P974 R975 I976 L981 C982 A1004 L1007 H1008 Q1011 A1012P974-V978 VanDerWaalsContact O-CG2 3.28Å; P974-V978 WeakPolarHBondContact O-CG2 3.38Å; P974-V978 PolarHBondContact O-N 3.41Å; P974-V978 VanDerWaalsContact O-N 3.09Å; R975-V978 PolarHBondContact O-N 2.9Å; I976-V978 VanDerWaalsContact C-N 3.29Å; I976-V978 PolarHBondContact O-N 2.96Å; V978-L981 PolarHBondContact O-N 3.13Å; V978-C982 WeakPolarHBondContact O-CB 3.46Å; V978-C982 PolarHBondContact O-N 3.42Å; V978-C982 PolarHBondContact O-SG 3.46Å; V978-A1004 HydrophobicContact CG1-CB 4.25Å; V978-A1004 WeakPolarHBondContact CG2-O 3.29Å; V978-L1007 HydrophobicContact CG2-CB 3.61Å; V978-L1007 HydrophobicContact CG2-CD1 4.37Å; V978-H1008 HydrophobicContact CG2-CB 3.93Å; V978-Q1011 HydrophobicContact CG1-CB 4.11Å; V978-Q1011 HydrophobicContact CG1-CG 4.1Å; V978-A1012 VanDerWaalsContact CG1-CA 3.49Å; V978-A1012 HydrophobicContact CG1-CB 3.64Å
979E87.5Confident81.6Confident62 Ų6247.2 Ų47.229%0.2926%0.256SS..Hα-helixtrans-64-43.3176.8-176.9170.5-149.900112.3R975 I976 C982 R983R975-E979 PolarHBondContact O-N 3.34Å; R975-E979 VanDerWaalsContact O-N 3.08Å; I976-E979 PolarHBondContact O-N 3.21Å; E979-C982 PolarHBondContact O-N 2.94Å; E979-R983 VanDerWaalsContact CD-NH2 3.3Å; E979-R983 HydrophobicContact CG-CG 4.47Å; E979-R983 WeakPolarHBondContact O-CB 3.37Å; E979-R983 WeakPolarHBondContact O-CG 3.37Å; E979-R983 PolarHBondContact O-N 3.21Å; E979-R983 IonicContact OE1-CZ 3.06Å; E979-R983 VanDerWaalsContact OE1-CZ 3.23Å; E979-R983 IonicContact OE1-NE 3.98Å; E979-R983 PolarHBondContact OE1-NE 3.25Å; E979-R983 IonicContact OE1-NH2 2.94Å; E979-R983 PolarHBondContact OE1-NH2 3.39Å; E979-R983 IonicContact OE2-NH2 3.42Å
980D89.2Confident83Confident0 Ų046.9 Ų46.90%025%0.246CC..Hα-helixtrans-63.3-43.5177.3-70.6-29.3000111.7R941 V963 I964 H967 I976 C977 R983 R984R941-D980 VanDerWaalsContact CD-OD1 3.25Å; R941-D980 WeakPolarHBondContact CD-OD1 3.23Å; R941-D980 WeakPolarHBondContact CG-OD1 3.37Å; R941-D980 IonicContact CZ-OD2 2.78Å; R941-D980 VanDerWaalsContact CZ-OD2 3.31Å; R941-D980 VanDerWaalsContact NE-CG 3.32Å; R941-D980 IonicContact NE-OD1 3.32Å; R941-D980 PolarHBondContact NE-OD1 3.08Å; R941-D980 IonicContact NE-OD2 3.2Å; R941-D980 PolarHBondContact NE-OD2 3.39Å; R941-D980 IonicContact NH2-OD2 2.88Å; R941-D980 PolarHBondContact NH2-OD2 2.98Å; V963-D980 WeakPolarHBondContact CG1-OD2 3.38Å; I964-D980 HydrophobicContact CG1-CB 4.29Å; H967-D980 IonicContact CD2-OD2 2.61Å; H967-D980 IonicContact CE1-OD2 3.64Å; H967-D980 IonicContact NE2-OD2 3.16Å; H967-D980 PolarHBondContact NE2-OD2 3.27Å; I976-D980 PolarHBondContact O-N 3.31Å; C977-D980 PolarHBondContact O-N 3.01Å; D980-R983 PolarHBondContact O-N 3.27Å; D980-R984 PolarHBondContact O-N 2.93Å
981L89.6Confident84.6Confident3 Ų344.8 Ų44.82%0.01623%0.232CC..Hα-helixtrans-63.3-45.7175.4-75.4167.2000111.9I964 C977 V978 R983 R984 G985 D1000 R1003 A1004 L1007I964-L981 HydrophobicContact CD1-CD2 3.99Å; I964-L981 HydrophobicContact CG1-CD2 4.46Å; I964-L981 HydrophobicContact CG2-CD2 4.25Å; C977-L981 WeakPolarHBondContact O-CB 3.42Å; C977-L981 VanDerWaalsContact O-CG 3.31Å; C977-L981 WeakPolarHBondContact O-CG 3.35Å; C977-L981 PolarHBondContact O-N 3.48Å; V978-L981 PolarHBondContact O-N 3.13Å; L981-R983 VanDerWaalsContact C-N 3.34Å; L981-R983 PolarHBondContact O-N 2.93Å; L981-R984 PolarHBondContact O-N 3.47Å; L981-G985 PolarHBondContact O-N 3.38Å; L981-D1000 HydrophobicContact CD2-CB 4.35Å; L981-R1003 HydrophobicContact CD1-CB 4.28Å; L981-R1003 HydrophobicContact CD1-CG 3.94Å; L981-A1004 HydrophobicContact CB-CB 4.05Å; L981-A1004 HydrophobicContact CD1-CB 4.43Å; L981-L1007 HydrophobicContact CD1-CD1 3.88Å
982C89.6Confident85.9Confident4 Ų443.4 Ų43.43%0.02722%0.223CC..Hα-helixtrans-64.3-38.6177.7-74.90000112.2V978 E979 H986 F1001 C1015V978-C982 WeakPolarHBondContact O-CB 3.46Å; V978-C982 PolarHBondContact O-N 3.42Å; V978-C982 PolarHBondContact O-SG 3.46Å; E979-C982 PolarHBondContact O-N 2.94Å; C982-H986 VanDerWaalsContact O-CB 3.31Å; C982-H986 WeakPolarHBondContact O-CB 3.37Å; C982-H986 PolarHBondContact O-N 3.04Å; C982-F1001 HydrophobicContact CB-CE1 4.01Å; C982-C1015 HydrophobicContact CB-CB 3.61Å
983R89.6Confident87.1Confident97 Ų9747.6 Ų47.637%0.36623%0.234SC..Hα-helixtrans-68.2-36.3175.8-72.6171178.6-165.90.8112.2L960 E979 D980 L981 S987L960-R983 HydrophobicContact CD1-CB 4.08Å; E979-R983 VanDerWaalsContact CD-NH2 3.3Å; E979-R983 HydrophobicContact CG-CG 4.47Å; E979-R983 WeakPolarHBondContact O-CB 3.37Å; E979-R983 WeakPolarHBondContact O-CG 3.37Å; E979-R983 PolarHBondContact O-N 3.21Å; E979-R983 IonicContact OE1-CZ 3.06Å; E979-R983 VanDerWaalsContact OE1-CZ 3.23Å; E979-R983 IonicContact OE1-NE 3.98Å; E979-R983 PolarHBondContact OE1-NE 3.25Å; E979-R983 IonicContact OE1-NH2 2.94Å; E979-R983 PolarHBondContact OE1-NH2 3.39Å; E979-R983 IonicContact OE2-NH2 3.42Å; D980-R983 PolarHBondContact O-N 3.27Å; L981-R983 VanDerWaalsContact C-N 3.34Å; L981-R983 PolarHBondContact O-N 2.93Å; R983-S987 PolarHBondContact O-N 2.69Å; R983-S987 PolarHBondContact O-OG 2.68Å; R983-S987 VanDerWaalsContact O-OG 3.08Å
984R90.8Very high87.5Confident38 Ų3846.6 Ų46.614%0.14323%0.227CC..Hα-helixtrans-69.8-47.9174.2-170.5176.667.8179.85110.6V957 L960 D961 I964 D980 L981 H986 S987 L988 D1000V957-R984 HydrophobicContact CG1-CG 4.24Å; V957-R984 HydrophobicContact CG2-CG 4.36Å; L960-R984 HydrophobicContact CB-CB 4.03Å; L960-R984 HydrophobicContact CB-CG 4.21Å; L960-R984 HydrophobicContact CD1-CB 3.94Å; D961-R984 WeakPolarHBondContact OD1-CD 3.2Å; D961-R984 IonicContact OD1-CZ 3.87Å; D961-R984 IonicContact OD1-NE 2.69Å; D961-R984 IonicContact OD1-NH1 3.93Å; D961-R984 PolarHBondContact OD1-NH1 3.39Å; I964-R984 HydrophobicContact CD1-CB 3.99Å; I964-R984 HydrophobicContact CD1-CG 4.42Å; I964-R984 VanDerWaalsContact CD1-CZ 3.48Å; D980-R984 PolarHBondContact O-N 2.93Å; L981-R984 PolarHBondContact O-N 3.47Å; R984-H986 VanDerWaalsContact C-N 3.29Å; R984-H986 PolarHBondContact O-N 3.14Å; R984-S987 PolarHBondContact O-N 2.99Å; R984-S987 VanDerWaalsContact O-N 3.09Å; R984-L988 HydrophobicContact CG-CD1 3.92Å; R984-L988 HydrophobicContact CG-CG 4.21Å; R984-L988 WeakPolarHBondContact O-CB 3.32Å; R984-L988 WeakPolarHBondContact O-CG 3.47Å; R984-L988 PolarHBondContact O-N 3.09Å; R984-D1000 IonicContact CZ-OD1 3.12Å; R984-D1000 IonicContact CZ-OD2 3.99Å; R984-D1000 IonicContact NE-OD1 3.24Å; R984-D1000 IonicContact NE-OD2 3.84Å; R984-D1000 PolarHBondContact NE-OD2 3.49Å; R984-D1000 VanDerWaalsContact NH2-CG 3.32Å; R984-D1000 IonicContact NH2-OD1 2.77Å; R984-D1000 PolarHBondContact NH2-OD1 3.24Å; R984-D1000 IonicContact NH2-OD2 3.26Å; R984-D1000 PolarHBondContact NH2-OD2 2.96Å
985G90.5Very high87.9Confident0 Ų045.8 Ų45.80%023%0.231CC..Hα-helixtrans-54.5-44.6174.400000111.9L981 S987 L988 V989 A997 F1001L981-G985 PolarHBondContact O-N 3.38Å; G985-S987 PolarHBondContact O-N 3.37Å; G985-L988 PolarHBondContact O-N 3.29Å; G985-V989 WeakPolarHBondContact O-CG2 3.49Å; G985-V989 PolarHBondContact O-N 2.88Å; G985-A997 WeakPolarHBondContact O-CB 3.48Å; G985-F1001 VanDerWaalsContact C-CE2 3.46Å
986H90.1Very high88.1Confident48 Ų4840.8 Ų40.822%0.22222%0.218CC..Hα-helixtrans-56.2-50174.4178.8-86.3000112.3C982 R984 V989 L990 L1020C982-H986 VanDerWaalsContact O-CB 3.31Å; C982-H986 WeakPolarHBondContact O-CB 3.37Å; C982-H986 PolarHBondContact O-N 3.04Å; R984-H986 VanDerWaalsContact C-N 3.29Å; R984-H986 PolarHBondContact O-N 3.14Å; H986-V989 PolarHBondContact O-N 3.45Å; H986-L990 VanDerWaalsContact CE1-CD1 3.41Å; H986-L990 WeakPolarHBondContact CE1-CD1 3.49Å; H986-L990 PolarHBondContact O-N 3.16Å; H986-L1020 HydrophobicContact CB-CD1 4.34Å; H986-L1020 PolarHBondContact CD2-N 3.45Å
987S91.1Very high88.5Confident2 Ų238 Ų381%0.01420%0.204CC..Hα-helixtrans-68.2-35.6-179.9-57.40000112.3R983 R984 G985 L990 C991R983-S987 PolarHBondContact O-N 2.69Å; R983-S987 PolarHBondContact O-OG 2.68Å; R983-S987 VanDerWaalsContact O-OG 3.08Å; R984-S987 PolarHBondContact O-N 2.99Å; R984-S987 VanDerWaalsContact O-N 3.09Å; G985-S987 PolarHBondContact O-N 3.37Å; S987-L990 PolarHBondContact O-N 3.03Å; S987-C991 PolarHBondContact O-N 3.47Å; S987-C991 PolarHBondContact O-SG 3.06Å; S987-C991 VanDerWaalsContact O-SG 3.35Å
988L91.4Very high88.8Confident6 Ų637.4 Ų37.43%0.03120%0.2CC..Hα-helixtrans-65.2-38.2176.4-76.7169.9000112.6V957 R984 G985 L990 C991 S992 R993 A996 A997 D1000V957-L988 HydrophobicContact CG1-CD2 3.87Å; V957-L988 HydrophobicContact CG1-CG 4.36Å; V957-L988 HydrophobicContact CG2-CD2 3.94Å; V957-L988 HydrophobicContact CG2-CG 3.93Å; R984-L988 HydrophobicContact CG-CD1 3.92Å; R984-L988 HydrophobicContact CG-CG 4.21Å; R984-L988 WeakPolarHBondContact O-CB 3.32Å; R984-L988 WeakPolarHBondContact O-CG 3.47Å; R984-L988 PolarHBondContact O-N 3.09Å; G985-L988 PolarHBondContact O-N 3.29Å; L988-L990 VanDerWaalsContact C-N 3.31Å; L988-L990 PolarHBondContact O-N 3.47Å; L988-C991 CarbonylContact O-C 3.17Å; L988-C991 PolarHBondContact O-N 2.74Å; L988-S992 PolarHBondContact O-N 3.45Å; L988-R993 HydrophobicContact CB-CB 4.49Å; L988-R993 HydrophobicContact CD2-CB 3.97Å; L988-R993 PolarHBondContact O-N 3.25Å; L988-A996 HydrophobicContact CD1-CB 4.04Å; L988-A997 HydrophobicContact CB-CB 3.65Å; L988-D1000 WeakPolarHBondContact CD1-OD2 3.42Å
989V89.6Confident88.9Confident13 Ų1344 Ų448%0.07923%0.23CC..Hα-helixtrans-61-43.2172.5174.70000110.4G985 H986 C991 S992 A997 F1001 L1020G985-V989 WeakPolarHBondContact O-CG2 3.49Å; G985-V989 PolarHBondContact O-N 2.88Å; H986-V989 PolarHBondContact O-N 3.45Å; V989-C991 PolarHBondContact O-N 3.07Å; V989-S992 PolarHBondContact O-N 3.33Å; V989-A997 HydrophobicContact CG2-CB 3.52Å; V989-F1001 HydrophobicContact CG2-CE2 4.38Å; V989-L1020 HydrophobicContact CB-CD1 4.06Å; V989-L1020 HydrophobicContact CB-CD2 4.09Å; V989-L1020 HydrophobicContact CG1-CD1 4.47Å; V989-L1020 HydrophobicContact CG1-CD2 3.71Å; V989-L1020 HydrophobicContact CG2-CD1 3.72Å; V989-L1020 HydrophobicContact CG2-CD2 4.44Å
990L88.8Confident89Confident86 Ų8641.4 Ų41.445%0.4522%0.219SC..Hα-helixtrans-68.9-23.5178-63.2175.3000112.7H953 H986 S987 L988 S992H953-L990 HydrophobicContact CB-CB 4.48Å; H953-L990 WeakPolarHBondContact CE1-CD1 3.43Å; H953-L990 WeakPolarHBondContact NE2-CD1 3.25Å; H986-L990 VanDerWaalsContact CE1-CD1 3.41Å; H986-L990 WeakPolarHBondContact CE1-CD1 3.49Å; H986-L990 PolarHBondContact O-N 3.16Å; S987-L990 PolarHBondContact O-N 3.03Å; L988-L990 VanDerWaalsContact C-N 3.31Å; L988-L990 PolarHBondContact O-N 3.47Å; L990-S992 VanDerWaalsContact C-N 3.31Å
991C88.1Confident89.1Confident32 Ų3241.6 Ų41.622%0.21622%0.22CC..THydrogen-bonded Turntrans-85.210.1169.1-640000114.3H953 S987 L988 V989 R993H953-C991 WeakPolarHBondContact CB-SG 3.47Å; S987-C991 PolarHBondContact O-N 3.47Å; S987-C991 PolarHBondContact O-SG 3.06Å; S987-C991 VanDerWaalsContact O-SG 3.35Å; L988-C991 CarbonylContact O-C 3.17Å; L988-C991 PolarHBondContact O-N 2.74Å; V989-C991 PolarHBondContact O-N 3.07Å; C991-R993 PolarHBondContact O-N 3.21Å; C991-R993 VanDerWaalsContact O-N 3.14Å
992S85.2Confident89.1Confident103 Ų10343.2 Ų43.272%0.7223%0.229SC*.THydrogen-bonded Turntrans59.419.3-175.9-50.70000115.1L988 V989 L990 E994L988-S992 PolarHBondContact O-N 3.45Å; V989-S992 PolarHBondContact O-N 3.33Å; L990-S992 VanDerWaalsContact C-N 3.31Å; S992-E994 PolarHBondContact O-N 3.13Å
993R87.6Confident89.1Confident148 Ų14849.5 Ų49.556%0.55825%0.253SS*.  trans-97.562.4176.3-67.4-177.568.6-167.8-0.5110.4L988 C991 G995 A997L988-R993 HydrophobicContact CB-CB 4.49Å; L988-R993 HydrophobicContact CD2-CB 3.97Å; L988-R993 PolarHBondContact O-N 3.25Å; C991-R993 PolarHBondContact O-N 3.21Å; C991-R993 VanDerWaalsContact O-N 3.14Å; R993-G995 PolarHBondContact O-N 3.08Å; R993-A997 PolarHBondContact O-N 3.03Å
994E84.8Confident89.1Confident60 Ų6044.9 Ų44.928%0.2824%0.235SC..Hα-helixtrans-64.8-39-168.6-62.7-169.6173.800113.8S992 A996 A997 L998 R1028S992-E994 PolarHBondContact O-N 3.13Å; E994-A996 PolarHBondContact O-N 3.35Å; E994-A997 WeakPolarHBondContact O-CB 3.37Å; E994-A997 PolarHBondContact O-N 3.38Å; E994-L998 VanDerWaalsContact O-CG 3.3Å; E994-L998 WeakPolarHBondContact O-CG 3.4Å; E994-L998 PolarHBondContact O-N 3.16Å; E994-R1028 IonicContact OE1-CZ 2.75Å; E994-R1028 VanDerWaalsContact OE1-CZ 3.32Å; E994-R1028 IonicContact OE1-NE 3.44Å; E994-R1028 IonicContact OE1-NH1 3.5Å; E994-R1028 PolarHBondContact OE1-NH1 3.29Å; E994-R1028 IonicContact OE2-NH1 3.69Å
995G85.6Confident89Confident50 Ų5043.8 Ų43.852%0.51523%0.232SC..Hα-helixtrans-56.8-53179.200000112.8R993 A997 L998 E999R993-G995 PolarHBondContact O-N 3.08Å; G995-A997 VanDerWaalsContact C-N 3.3Å; G995-A997 PolarHBondContact O-N 2.93Å; G995-L998 PolarHBondContact O-N 3.19Å; G995-E999 WeakPolarHBondContact O-CG 3.48Å; G995-E999 PolarHBondContact O-N 3.26Å; G995-E999 VanDerWaalsContact O-N 3.07Å
996A87.6Confident88.7Confident30 Ų3047.1 Ų47.125%0.24827%0.266CS..Hα-helixtrans-64.6-33.3177.600000112.6L988 E994 E999 D1000L988-A996 HydrophobicContact CD1-CB 4.04Å; E994-A996 PolarHBondContact O-N 3.35Å; A996-E999 PolarHBondContact O-N 3.47Å; A996-D1000 PolarHBondContact O-N 2.75Å; A996-D1000 VanDerWaalsContact O-N 3.14Å
997A90.3Very high88.5Confident0 Ų049 Ų490%028%0.277CS..Hα-helixtrans-65.1-43.5175.500000112.2G985 L988 V989 R993 E994 G995 E999 D1000 F1001G985-A997 WeakPolarHBondContact O-CB 3.48Å; L988-A997 HydrophobicContact CB-CB 3.65Å; V989-A997 HydrophobicContact CG2-CB 3.52Å; R993-A997 PolarHBondContact O-N 3.03Å; E994-A997 WeakPolarHBondContact O-CB 3.37Å; E994-A997 PolarHBondContact O-N 3.38Å; G995-A997 VanDerWaalsContact C-N 3.3Å; G995-A997 PolarHBondContact O-N 2.93Å; A997-E999 VanDerWaalsContact C-N 3.33Å; A997-D1000 WeakPolarHBondContact O-CB 3.3Å; A997-D1000 PolarHBondContact O-N 3.38Å; A997-F1001 WeakPolarHBondContact O-CD2 3.42Å; A997-F1001 PolarHBondContact O-N 3.36Å
998L90.4Very high88.4Confident3 Ų351.1 Ų51.12%0.01629%0.287CS..Hα-helixtrans-68.1-35.1179.2-67.2175.2000111.6E994 G995 D1000 F1001 T1002 L1025 R1028 F1029 A1032 L1048E994-L998 VanDerWaalsContact O-CG 3.3Å; E994-L998 WeakPolarHBondContact O-CG 3.4Å; E994-L998 PolarHBondContact O-N 3.16Å; G995-L998 PolarHBondContact O-N 3.19Å; L998-D1000 VanDerWaalsContact C-N 3.34Å; L998-F1001 PolarHBondContact O-N 2.9Å; L998-T1002 VanDerWaalsContact O-CB 3.28Å; L998-T1002 WeakPolarHBondContact O-CB 3.47Å; L998-T1002 PolarHBondContact O-N 2.95Å; L998-T1002 PolarHBondContact O-OG1 3.43Å; L998-L1025 HydrophobicContact CD2-CD1 3.92Å; L998-R1028 HydrophobicContact CD2-CB 4.02Å; L998-F1029 HydrophobicContact CB-CD1 4.47Å; L998-F1029 HydrophobicContact CB-CE1 4.04Å; L998-F1029 HydrophobicContact CD2-CD1 3.79Å; L998-F1029 HydrophobicContact CD2-CD2 4.02Å; L998-F1029 HydrophobicContact CD2-CE1 3.81Å; L998-F1029 HydrophobicContact CD2-CE2 4.06Å; L998-F1029 HydrophobicContact CD2-CG 3.87Å; L998-F1029 HydrophobicContact CD2-CZ 3.95Å; L998-F1029 HydrophobicContact CG-CE1 4.45Å; L998-A1032 HydrophobicContact CD1-CB 3.25Å; L998-L1048 HydrophobicContact CB-CD2 4.33Å
999E89.3Confident88.1Confident138 Ų13857.5 Ų57.565%0.64531%0.311SS*.Hα-helixtrans-59.2-43.8170.3-72.1174.7-177.300111.8G995 A996 A997 T1002 R1003G995-E999 WeakPolarHBondContact O-CG 3.48Å; G995-E999 PolarHBondContact O-N 3.26Å; G995-E999 VanDerWaalsContact O-N 3.07Å; A996-E999 PolarHBondContact O-N 3.47Å; A997-E999 VanDerWaalsContact C-N 3.33Å; E999-T1002 WeakPolarHBondContact O-CB 3.34Å; E999-T1002 PolarHBondContact O-N 2.99Å; E999-R1003 WeakPolarHBondContact O-CB 3.46Å; E999-R1003 PolarHBondContact O-N 2.97Å
1000D90.1Very high88Confident8 Ų863.6 Ų63.64%0.04334%0.338CS..Hα-helixtrans-63.1-45.4177-77.9-12.2000112.8L981 R984 L988 A996 A997 L998 R1003 A1004L981-D1000 HydrophobicContact CD2-CB 4.35Å; R984-D1000 IonicContact CZ-OD1 3.12Å; R984-D1000 IonicContact CZ-OD2 3.99Å; R984-D1000 IonicContact NE-OD1 3.24Å; R984-D1000 IonicContact NE-OD2 3.84Å; R984-D1000 PolarHBondContact NE-OD2 3.49Å; R984-D1000 VanDerWaalsContact NH2-CG 3.32Å; R984-D1000 IonicContact NH2-OD1 2.77Å; R984-D1000 PolarHBondContact NH2-OD1 3.24Å; R984-D1000 IonicContact NH2-OD2 3.26Å; R984-D1000 PolarHBondContact NH2-OD2 2.96Å; L988-D1000 WeakPolarHBondContact CD1-OD2 3.42Å; A996-D1000 PolarHBondContact O-N 2.75Å; A996-D1000 VanDerWaalsContact O-N 3.14Å; A997-D1000 WeakPolarHBondContact O-CB 3.3Å; A997-D1000 PolarHBondContact O-N 3.38Å; L998-D1000 VanDerWaalsContact C-N 3.34Å; D1000-R1003 PolarHBondContact O-N 3.32Å; D1000-A1004 VanDerWaalsContact O-CB 3.29Å; D1000-A1004 WeakPolarHBondContact O-CB 3.35Å; D1000-A1004 PolarHBondContact O-N 2.71Å
1001F90.9Very high87.9Confident5 Ų561.5 Ų61.52%0.02233%0.326CS..Hα-helixtrans-65.4-39.5176.2-73-60000112C982 G985 V989 A997 L998 A1004 L1005 V1016 L1020 L1025 F1029C982-F1001 HydrophobicContact CB-CE1 4.01Å; G985-F1001 VanDerWaalsContact C-CE2 3.46Å; V989-F1001 HydrophobicContact CG2-CE2 4.38Å; A997-F1001 WeakPolarHBondContact O-CD2 3.42Å; A997-F1001 PolarHBondContact O-N 3.36Å; L998-F1001 PolarHBondContact O-N 2.9Å; F1001-A1004 PolarHBondContact O-N 3.32Å; F1001-L1005 WeakPolarHBondContact O-CB 3.5Å; F1001-L1005 VanDerWaalsContact O-CG 3.23Å; F1001-L1005 WeakPolarHBondContact O-CG 3.47Å; F1001-L1005 PolarHBondContact O-N 3.45Å; F1001-V1016 HydrophobicContact CD1-CG2 3.76Å; F1001-V1016 HydrophobicContact CE1-CG2 3.75Å; F1001-L1020 HydrophobicContact CE2-CD1 3.62Å; F1001-L1020 HydrophobicContact CZ-CD1 3.57Å; F1001-L1025 HydrophobicContact CB-CD1 4.39Å; F1001-L1025 HydrophobicContact CB-CD2 4.16Å; F1001-L1025 HydrophobicContact CD1-CD2 3.81Å; F1001-L1025 HydrophobicContact CD2-CD1 3.4Å; F1001-L1025 HydrophobicContact CD2-CD2 4.07Å; F1001-L1025 HydrophobicContact CD2-CG 4.4Å; F1001-L1025 HydrophobicContact CE1-CD2 4.23Å; F1001-L1025 HydrophobicContact CE2-CD1 3.77Å; F1001-L1025 HydrophobicContact CE2-CD2 4.46Å; F1001-L1025 HydrophobicContact CG-CD1 3.9Å; F1001-L1025 HydrophobicContact CG-CD2 3.74Å; F1001-L1025 HydrophobicContact CG-CG 4.49Å; F1001-F1029 HydrophobicContact CB-CE2 4.1Å; F1001-F1029 HydrophobicContact CB-CZ 3.79Å
1002T90.6Very high87.8Confident36 Ų3660 Ų6022%0.22132%0.316CS..Hα-helixtrans-59.4-47.5174.6-580000110.3L998 E999 L1005 G1006 F1029L998-T1002 VanDerWaalsContact O-CB 3.28Å; L998-T1002 WeakPolarHBondContact O-CB 3.47Å; L998-T1002 PolarHBondContact O-N 2.95Å; L998-T1002 PolarHBondContact O-OG1 3.43Å; E999-T1002 WeakPolarHBondContact O-CB 3.34Å; E999-T1002 PolarHBondContact O-N 2.99Å; T1002-L1005 PolarHBondContact O-N 2.83Å; T1002-G1006 PolarHBondContact O-N 3.19Å; T1002-G1006 VanDerWaalsContact O-N 3.07Å; T1002-F1029 WeakPolarHBondContact OG1-CE1 3.42Å
1003R88.7Confident87.9Confident136 Ų13656.1 Ų56.151%0.51329%0.287SS..Hα-helixtrans-64.8-41.3177.5-171.3176.6-179.7-178.9-0.3112L981 E999 D1000 G1006 L1007L981-R1003 HydrophobicContact CD1-CB 4.28Å; L981-R1003 HydrophobicContact CD1-CG 3.94Å; E999-R1003 WeakPolarHBondContact O-CB 3.46Å; E999-R1003 PolarHBondContact O-N 2.97Å; D1000-R1003 PolarHBondContact O-N 3.32Å; R1003-G1006 PolarHBondContact O-N 3.37Å; R1003-L1007 HydrophobicContact CG-CD1 4.38Å; R1003-L1007 WeakPolarHBondContact O-CG 3.4Å; R1003-L1007 PolarHBondContact O-N 3.41Å; R1003-L1007 VanDerWaalsContact O-N 3.1Å
1004A89.2Confident88Confident0 Ų054.4 Ų54.40%029%0.286CS..Hα-helixtrans-63-44177.900000112.1V978 L981 D1000 F1001 G1006 L1007 H1008 A1012V978-A1004 HydrophobicContact CG1-CB 4.25Å; V978-A1004 WeakPolarHBondContact CG2-O 3.29Å; L981-A1004 HydrophobicContact CB-CB 4.05Å; L981-A1004 HydrophobicContact CD1-CB 4.43Å; D1000-A1004 VanDerWaalsContact O-CB 3.29Å; D1000-A1004 WeakPolarHBondContact O-CB 3.35Å; D1000-A1004 PolarHBondContact O-N 2.71Å; F1001-A1004 PolarHBondContact O-N 3.32Å; A1004-G1006 VanDerWaalsContact C-N 3.31Å; A1004-G1006 PolarHBondContact O-N 3.49Å; A1004-L1007 PolarHBondContact O-N 2.88Å; A1004-H1008 PolarHBondContact O-N 3.13Å; A1004-H1008 VanDerWaalsContact O-N 3.11Å; A1004-A1012 HydrophobicContact CB-CB 4.16Å
1005L88.5Confident88Confident16 Ų1652.7 Ų52.78%0.08428%0.28CS..Hα-helixtrans-63.9-36.1176.2-71.5169.1000112.4F1001 T1002 A1012 L1013 C1051 V1054 V1055F1001-L1005 WeakPolarHBondContact O-CB 3.5Å; F1001-L1005 VanDerWaalsContact O-CG 3.23Å; F1001-L1005 WeakPolarHBondContact O-CG 3.47Å; F1001-L1005 PolarHBondContact O-N 3.45Å; T1002-L1005 PolarHBondContact O-N 2.83Å; L1005-A1012 HydrophobicContact CD2-CB 3.83Å; L1005-A1012 HydrophobicContact CG-CB 4.32Å; L1005-L1013 HydrophobicContact CD2-CD2 4.01Å; L1005-L1013 HydrophobicContact CD2-CG 4.21Å; L1005-C1051 HydrophobicContact CD1-CB 4.01Å; L1005-V1054 HydrophobicContact CD1-CG1 4.35Å; L1005-V1054 HydrophobicContact CD2-CG1 3.8Å; L1005-V1055 HydrophobicContact CD1-CG2 3.72Å; L1005-V1055 HydrophobicContact CD2-CG2 4.35Å
1006G85.4Confident88.1Confident69 Ų6950.5 Ų50.571%0.71126%0.256SS*.Hα-helixtrans-70-28.8175.700000114.1T1002 R1003 A1004T1002-G1006 PolarHBondContact O-N 3.19Å; T1002-G1006 VanDerWaalsContact O-N 3.07Å; R1003-G1006 PolarHBondContact O-N 3.37Å; A1004-G1006 VanDerWaalsContact C-N 3.31Å; A1004-G1006 PolarHBondContact O-N 3.49Å
1007L86.1Confident88Confident87 Ų8754.2 Ų54.246%0.45527%0.269SS..Hα-helixtrans-82.1-51.6179-72.5172.7000112.9C977 V978 L981 R1003 A1004C977-L1007 HydrophobicContact CB-CD1 4.48Å; V978-L1007 HydrophobicContact CG2-CB 3.61Å; V978-L1007 HydrophobicContact CG2-CD1 4.37Å; L981-L1007 HydrophobicContact CD1-CD1 3.88Å; R1003-L1007 HydrophobicContact CG-CD1 4.38Å; R1003-L1007 WeakPolarHBondContact O-CG 3.4Å; R1003-L1007 PolarHBondContact O-N 3.41Å; R1003-L1007 VanDerWaalsContact O-N 3.1Å; A1004-L1007 PolarHBondContact O-N 2.88Å
1008H87.6Confident87.7Confident48 Ų4858.7 Ų58.722%0.22231%0.305CS..  trans-153.198.4177.8-165.1-55.4000111.3V978 A1004 E1010 Q1011 A1012V978-H1008 HydrophobicContact CG2-CB 3.93Å; A1004-H1008 PolarHBondContact O-N 3.13Å; A1004-H1008 VanDerWaalsContact O-N 3.11Å; H1008-E1010 PolarHBondContact O-N 2.96Å; H1008-Q1011 HydrophobicContact CB-CB 4.34Å; H1008-Q1011 PolarHBondContact ND1-N 3.43Å; H1008-A1012 WeakPolarHBondContact O-CB 3.11Å; H1008-A1012 PolarHBondContact O-N 3.13Å
1009R86.1Confident87.3Confident140 Ų14060.3 Ų60.353%0.52832%0.323SS..Hα-helixtrans-55.5-52.6-172.4-174.1177.5175.4163.75.2114.4A1012 L1013 V1054R1009-A1012 PolarHBondContact O-N 2.89Å; R1009-L1013 HydrophobicContact CG-CD1 4.08Å; R1009-L1013 VanDerWaalsContact O-CG 3.29Å; R1009-L1013 WeakPolarHBondContact O-CG 3.37Å; R1009-L1013 PolarHBondContact O-N 3.37Å; R1009-V1054 HydrophobicContact CG-CG1 3.99Å
1010E86.4Confident86.9Confident140 Ų14054.7 Ų54.765%0.65430%0.297SS*.Hα-helixtrans-63.8-46.5-174.6-64.2-175.3165.200112.5H1008 A1012 L1013 Q1014H1008-E1010 PolarHBondContact O-N 2.96Å; E1010-A1012 PolarHBondContact O-N 2.96Å; E1010-L1013 PolarHBondContact O-N 3Å; E1010-Q1014 WeakPolarHBondContact O-CG 3.38Å; E1010-Q1014 PolarHBondContact O-N 2.97Å
1011Q87.1Confident86.8Confident42 Ų4255.2 Ų55.220%0.19631%0.305CS..Hα-helixtrans-62.1-43.1176.9-167.766.634.200111.9R975 V978 H1008 L1013 Q1014 C1015R975-Q1011 HydrophobicContact CB-CG 4.31Å; V978-Q1011 HydrophobicContact CG1-CB 4.11Å; V978-Q1011 HydrophobicContact CG1-CG 4.1Å; H1008-Q1011 HydrophobicContact CB-CB 4.34Å; H1008-Q1011 PolarHBondContact ND1-N 3.43Å; Q1011-L1013 VanDerWaalsContact C-N 3.32Å; Q1011-L1013 PolarHBondContact O-N 3.19Å; Q1011-Q1014 PolarHBondContact O-N 2.77Å; Q1011-C1015 PolarHBondContact O-N 3.04Å; Q1011-C1015 PolarHBondContact O-SG 3.46Å
1012A86.8Confident86.6Confident1 Ų159.5 Ų59.51%0.00832%0.321CS..Hα-helixtrans-60.5-43.1177.200000111.3V978 A1004 L1005 H1008 R1009 E1010 Q1014 C1015 V1016V978-A1012 VanDerWaalsContact CG1-CA 3.49Å; V978-A1012 HydrophobicContact CG1-CB 3.64Å; A1004-A1012 HydrophobicContact CB-CB 4.16Å; L1005-A1012 HydrophobicContact CD2-CB 3.83Å; L1005-A1012 HydrophobicContact CG-CB 4.32Å; H1008-A1012 WeakPolarHBondContact O-CB 3.11Å; H1008-A1012 PolarHBondContact O-N 3.13Å; R1009-A1012 PolarHBondContact O-N 2.89Å; E1010-A1012 PolarHBondContact O-N 2.96Å; A1012-Q1014 PolarHBondContact O-N 3.18Å; A1012-C1015 PolarHBondContact O-N 3.44Å; A1012-V1016 WeakPolarHBondContact O-CB 3.3Å; A1012-V1016 VanDerWaalsContact O-CG2 3.24Å; A1012-V1016 WeakPolarHBondContact O-CG2 3.16Å; A1012-V1016 PolarHBondContact O-N 3.35Å
1013L87.3Confident86.4Confident21 Ų2165 Ų6511%0.1134%0.344CS..Hα-helixtrans-66.1-34.7176.8-67.6173.9000113.1L1005 R1009 E1010 Q1011 E1017 V1055L1005-L1013 HydrophobicContact CD2-CD2 4.01Å; L1005-L1013 HydrophobicContact CD2-CG 4.21Å; R1009-L1013 HydrophobicContact CG-CD1 4.08Å; R1009-L1013 VanDerWaalsContact O-CG 3.29Å; R1009-L1013 WeakPolarHBondContact O-CG 3.37Å; R1009-L1013 PolarHBondContact O-N 3.37Å; E1010-L1013 PolarHBondContact O-N 3Å; Q1011-L1013 VanDerWaalsContact C-N 3.32Å; Q1011-L1013 PolarHBondContact O-N 3.19Å; L1013-E1017 WeakPolarHBondContact O-CB 3.3Å; L1013-E1017 PolarHBondContact O-N 3.31Å; L1013-E1017 VanDerWaalsContact O-N 3.1Å; L1013-V1055 HydrophobicContact CD2-CB 4.37Å; L1013-V1055 HydrophobicContact CD2-CG2 4.15Å
1014Q88.3Confident86.2Confident113 Ų11366.9 Ų66.953%0.52835%0.351SS..Hα-helixtrans-66.2-44.6172.6-71.2175.56.600111.4E1010 Q1011 A1012 V1016 E1017 A1018E1010-Q1014 WeakPolarHBondContact O-CG 3.38Å; E1010-Q1014 PolarHBondContact O-N 2.97Å; Q1011-Q1014 PolarHBondContact O-N 2.77Å; A1012-Q1014 PolarHBondContact O-N 3.18Å; Q1014-V1016 PolarHBondContact O-N 3.46Å; Q1014-E1017 PolarHBondContact O-N 2.75Å; Q1014-A1018 PolarHBondContact O-N 3.28Å
1015C86Confident86.1Confident24 Ų2466.9 Ų66.916%0.16235%0.351CS..Hα-helixtrans-65.9-37.3177.9-66.30000112.7C982 Q1011 A1012 A1018 G1019C982-C1015 HydrophobicContact CB-CB 3.61Å; Q1011-C1015 PolarHBondContact O-N 3.04Å; Q1011-C1015 PolarHBondContact O-SG 3.46Å; A1012-C1015 PolarHBondContact O-N 3.44Å; C1015-A1018 PolarHBondContact O-N 3.5Å; C1015-G1019 PolarHBondContact O-N 3.44Å
1016V87.3Confident86.1Confident3 Ų366.1 Ų66.12%0.01835%0.347CS..Hα-helixtrans-64.3-42.7175167.70000110.8F1001 A1012 Q1014 A1018 G1019 L1020 G1021 R1022 L1025 V1055F1001-V1016 HydrophobicContact CD1-CG2 3.76Å; F1001-V1016 HydrophobicContact CE1-CG2 3.75Å; A1012-V1016 WeakPolarHBondContact O-CB 3.3Å; A1012-V1016 VanDerWaalsContact O-CG2 3.24Å; A1012-V1016 WeakPolarHBondContact O-CG2 3.16Å; A1012-V1016 PolarHBondContact O-N 3.35Å; Q1014-V1016 PolarHBondContact O-N 3.46Å; V1016-A1018 VanDerWaalsContact C-N 3.34Å; V1016-A1018 PolarHBondContact O-N 2.86Å; V1016-G1019 PolarHBondContact O-N 3.06Å; V1016-L1020 PolarHBondContact O-N 3.33Å; V1016-G1021 WeakPolarHBondContact O-CA 3.34Å; V1016-G1021 PolarHBondContact O-N 2.72Å; V1016-R1022 HydrophobicContact CG1-CG 4.24Å; V1016-L1025 HydrophobicContact CB-CD2 4.21Å; V1016-L1025 HydrophobicContact CG1-CB 4.11Å; V1016-L1025 HydrophobicContact CG1-CD2 3.56Å; V1016-L1025 HydrophobicContact CG1-CG 4.49Å; V1016-L1025 HydrophobicContact CG2-CD2 3.5Å; V1016-L1025 VanDerWaalsContact CG2-CD2 3.5Å; V1016-V1055 HydrophobicContact CG1-CG1 4.32Å
1017E86.4Confident86.2Confident109 Ų10966.7 Ų66.751%0.50933%0.331SS..Hα-helixtrans-62.1-42177.9-163.567.5-173.300111.9L1013 Q1014 G1019 R1022L1013-E1017 WeakPolarHBondContact O-CB 3.3Å; L1013-E1017 PolarHBondContact O-N 3.31Å; L1013-E1017 VanDerWaalsContact O-N 3.1Å; Q1014-E1017 PolarHBondContact O-N 2.75Å; E1017-G1019 PolarHBondContact O-N 3.48Å; E1017-R1022 WeakPolarHBondContact OE2-CD 3.41Å; E1017-R1022 WeakPolarHBondContact OE2-CG 3.32Å; E1017-R1022 IonicContact OE2-NE 3.37Å; E1017-R1022 PolarHBondContact OE2-NE 2.98Å
1018A82.4Confident86.4Confident93 Ų9366 Ų6677%0.76932%0.323SS*.THydrogen-bonded Turntrans-71.6-11.7178.100000114.4Q1014 C1015 V1016Q1014-A1018 PolarHBondContact O-N 3.28Å; C1015-A1018 PolarHBondContact O-N 3.5Å; V1016-A1018 VanDerWaalsContact C-N 3.34Å; V1016-A1018 PolarHBondContact O-N 2.86Å
1019G82.9Confident86.6Confident37 Ų3763.7 Ų63.738%0.38131%0.312SS..THydrogen-bonded Turntrans-117.7-98.1-17600000113.5C1015 V1016 E1017 G1021C1015-G1019 PolarHBondContact O-N 3.44Å; V1016-G1019 PolarHBondContact O-N 3.06Å; E1017-G1019 PolarHBondContact O-N 3.48Å; G1019-G1021 VanDerWaalsContact C-N 3.33Å
1020L81.9Confident86.8Confident20 Ų2058.5 Ų58.511%0.10529%0.294CS..THydrogen-bonded Turntrans-73.1-25.9-174.4-89.6154000112.6H986 V989 F1001 V1016 R1024H986-L1020 HydrophobicContact CB-CD1 4.34Å; H986-L1020 PolarHBondContact CD2-N 3.45Å; V989-L1020 HydrophobicContact CB-CD1 4.06Å; V989-L1020 HydrophobicContact CB-CD2 4.09Å; V989-L1020 HydrophobicContact CG1-CD1 4.47Å; V989-L1020 HydrophobicContact CG1-CD2 3.71Å; V989-L1020 HydrophobicContact CG2-CD1 3.72Å; V989-L1020 HydrophobicContact CG2-CD2 4.44Å; F1001-L1020 HydrophobicContact CE2-CD1 3.62Å; F1001-L1020 HydrophobicContact CZ-CD1 3.57Å; V1016-L1020 PolarHBondContact O-N 3.33Å; L1020-R1024 WeakPolarHBondContact O-CB 3.42Å; L1020-R1024 WeakPolarHBondContact O-CD 3.34Å
1021G86.8Confident86.9Confident20 Ų2056.5 Ų56.521%0.20628%0.281CS..  trans84.2141.7-170.600000112.8V1016 G1019 Q1023 R1024 L1025V1016-G1021 WeakPolarHBondContact O-CA 3.34Å; V1016-G1021 PolarHBondContact O-N 2.72Å; G1019-G1021 VanDerWaalsContact C-N 3.33Å; G1021-Q1023 PolarHBondContact O-N 3.22Å; G1021-R1024 PolarHBondContact O-N 3.16Å; G1021-L1025 PolarHBondContact O-N 3.03Å; G1021-L1025 VanDerWaalsContact O-N 3.11Å
1022R86.4Confident87Confident95 Ų9555.4 Ų55.436%0.35828%0.279SS..Hα-helixtrans-57.3-46.1-175.8-76.5168.8-164.2-160.43.2113.6V1016 E1017 R1024 L1025 A1026 V1055V1016-R1022 HydrophobicContact CG1-CG 4.24Å; E1017-R1022 WeakPolarHBondContact OE2-CD 3.41Å; E1017-R1022 WeakPolarHBondContact OE2-CG 3.32Å; E1017-R1022 IonicContact OE2-NE 3.37Å; E1017-R1022 PolarHBondContact OE2-NE 2.98Å; R1022-R1024 PolarHBondContact O-N 2.92Å; R1022-L1025 PolarHBondContact O-N 3.15Å; R1022-A1026 WeakPolarHBondContact O-CB 3.38Å; R1022-A1026 PolarHBondContact O-N 2.94Å; R1022-V1055 HydrophobicContact CB-CG1 3.9Å; R1022-V1055 HydrophobicContact CG-CG1 4Å; R1022-V1055 VanDerWaalsContact O-CG1 3.32Å; R1022-V1055 WeakPolarHBondContact O-CG1 3.43Å
1023Q85.9Confident87Confident152 Ų15255.3 Ų55.371%0.7128%0.278SS*.Hα-helixtrans-61.4-45.9-178.7-68.7-179.6-12.200112G1021 L1025 A1026 E1027G1021-Q1023 PolarHBondContact O-N 3.22Å; Q1023-L1025 PolarHBondContact O-N 3.49Å; Q1023-A1026 PolarHBondContact O-N 3.2Å; Q1023-E1027 PolarHBondContact O-N 2.74Å
1024R85.1Confident87.1Confident174 Ų17458.2 Ų58.266%0.65729%0.293SS*.Hα-helixtrans-65.9-40.1-179.7-65.1-172.3-177.5164.6-2.1111.4L1020 G1021 R1022 R1028L1020-R1024 WeakPolarHBondContact O-CB 3.42Å; L1020-R1024 WeakPolarHBondContact O-CD 3.34Å; G1021-R1024 PolarHBondContact O-N 3.16Å; R1022-R1024 PolarHBondContact O-N 2.92Å; R1024-R1028 WeakPolarHBondContact O-CG 3.45Å; R1024-R1028 PolarHBondContact O-N 2.9Å
1025L88.4Confident87Confident1 Ų158.4 Ų58.41%0.00529%0.294CS..Hα-helixtrans-68.3-41.8177.1-179.160.7000111.9L998 F1001 V1016 G1021 R1022 Q1023 E1027 R1028 F1029 V1055L998-L1025 HydrophobicContact CD2-CD1 3.92Å; F1001-L1025 HydrophobicContact CB-CD1 4.39Å; F1001-L1025 HydrophobicContact CB-CD2 4.16Å; F1001-L1025 HydrophobicContact CD1-CD2 3.81Å; F1001-L1025 HydrophobicContact CD2-CD1 3.4Å; F1001-L1025 HydrophobicContact CD2-CD2 4.07Å; F1001-L1025 HydrophobicContact CD2-CG 4.4Å; F1001-L1025 HydrophobicContact CE1-CD2 4.23Å; F1001-L1025 HydrophobicContact CE2-CD1 3.77Å; F1001-L1025 HydrophobicContact CE2-CD2 4.46Å; F1001-L1025 HydrophobicContact CG-CD1 3.9Å; F1001-L1025 HydrophobicContact CG-CD2 3.74Å; F1001-L1025 HydrophobicContact CG-CG 4.49Å; V1016-L1025 HydrophobicContact CB-CD2 4.21Å; V1016-L1025 HydrophobicContact CG1-CB 4.11Å; V1016-L1025 HydrophobicContact CG1-CD2 3.56Å; V1016-L1025 HydrophobicContact CG1-CG 4.49Å; V1016-L1025 HydrophobicContact CG2-CD2 3.5Å; V1016-L1025 VanDerWaalsContact CG2-CD2 3.5Å; G1021-L1025 PolarHBondContact O-N 3.03Å; G1021-L1025 VanDerWaalsContact O-N 3.11Å; R1022-L1025 PolarHBondContact O-N 3.15Å; Q1023-L1025 PolarHBondContact O-N 3.49Å; L1025-E1027 VanDerWaalsContact C-N 3.3Å; L1025-E1027 PolarHBondContact O-N 3.03Å; L1025-R1028 PolarHBondContact O-N 2.98Å; L1025-R1028 VanDerWaalsContact O-N 3.14Å; L1025-F1029 HydrophobicContact CD1-CD2 4.05Å; L1025-F1029 HydrophobicContact CD1-CE2 3.78Å; L1025-F1029 HydrophobicContact CD2-CE2 3.96Å; L1025-F1029 HydrophobicContact CG-CD2 3.84Å; L1025-F1029 HydrophobicContact CG-CE2 3.66Å; L1025-F1029 WeakPolarHBondContact O-CD2 3.4Å; L1025-F1029 PolarHBondContact O-N 3.4Å; L1025-V1055 HydrophobicContact CB-CG1 4.27Å; L1025-V1055 HydrophobicContact CD2-CG1 4.25Å; L1025-V1055 HydrophobicContact CD2-CG2 4.1Å; L1025-V1055 HydrophobicContact CG-CG1 4.41Å
1026A87.7Confident87.1Confident0 Ų058.9 Ų58.90%029%0.294CS..Hα-helixtrans-61-38.4176.400000112.2R1022 Q1023 R1028 F1029 M1030 V1055 D1056 L1062R1022-A1026 WeakPolarHBondContact O-CB 3.38Å; R1022-A1026 PolarHBondContact O-N 2.94Å; Q1023-A1026 PolarHBondContact O-N 3.2Å; A1026-R1028 PolarHBondContact O-N 3.3Å; A1026-F1029 PolarHBondContact O-N 2.79Å; A1026-M1030 WeakPolarHBondContact O-CB 3.42Å; A1026-M1030 PolarHBondContact O-N 2.74Å; A1026-V1055 HydrophobicContact CB-CG1 4.42Å; A1026-D1056 HydrophobicContact CB-CB 3.56Å; A1026-L1062 HydrophobicContact CB-CD1 4.4Å
1027E88.1Confident87.1Confident80 Ų8060.7 Ų60.737%0.37430%0.301SS..Hα-helixtrans-62.9-40.1173.8-162.9-167.9164.700112.2Q1023 L1025 M1030 R1031Q1023-E1027 PolarHBondContact O-N 2.74Å; L1025-E1027 VanDerWaalsContact C-N 3.3Å; L1025-E1027 PolarHBondContact O-N 3.03Å; E1027-M1030 HydrophobicContact CG-CE 4Å; E1027-M1030 WeakPolarHBondContact O-CB 3.23Å; E1027-M1030 PolarHBondContact O-N 3.07Å; E1027-R1031 WeakPolarHBondContact O-CG 3.3Å; E1027-R1031 PolarHBondContact O-N 3.48Å; E1027-R1031 IonicContact OE1-CZ 3.27Å; E1027-R1031 IonicContact OE1-NE 4Å; E1027-R1031 PolarHBondContact OE1-NE 3.05Å; E1027-R1031 IonicContact OE1-NH2 3.53Å; E1027-R1031 PolarHBondContact OE1-NH2 3.25Å; E1027-R1031 IonicContact OE2-NH2 2.65Å; E1027-R1031 PolarHBondContact OE2-NH2 3.11Å
1028R90.2Very high86.9Confident73 Ų7358.5 Ų58.528%0.27531%0.307SS..Hα-helixtrans-67.4-41.9176.5-60.5-68.7176.2172.12.1111.6E994 L998 R1024 L1025 A1026 M1030 R1031 A1032E994-R1028 IonicContact OE1-CZ 2.75Å; E994-R1028 VanDerWaalsContact OE1-CZ 3.32Å; E994-R1028 IonicContact OE1-NE 3.44Å; E994-R1028 IonicContact OE1-NH1 3.5Å; E994-R1028 PolarHBondContact OE1-NH1 3.29Å; E994-R1028 IonicContact OE2-NH1 3.69Å; L998-R1028 HydrophobicContact CD2-CB 4.02Å; R1024-R1028 WeakPolarHBondContact O-CG 3.45Å; R1024-R1028 PolarHBondContact O-N 2.9Å; L1025-R1028 PolarHBondContact O-N 2.98Å; L1025-R1028 VanDerWaalsContact O-N 3.14Å; A1026-R1028 PolarHBondContact O-N 3.3Å; R1028-M1030 VanDerWaalsContact C-N 3.28Å; R1028-M1030 PolarHBondContact O-N 3.3Å; R1028-R1031 VanDerWaalsContact CZ-NH1 3.33Å; R1028-R1031 PolarHBondContact O-N 2.86Å; R1028-A1032 PolarHBondContact O-N 3.34Å
1029F91.3Very high87.1Confident0 Ų059 Ų590%029%0.293CS..Hα-helixtrans-57.9-41.7171.6-86.2-64.5000111.9L998 F1001 T1002 L1025 A1026 A1032 A1033 L1048 C1051 V1055L998-F1029 HydrophobicContact CB-CD1 4.47Å; L998-F1029 HydrophobicContact CB-CE1 4.04Å; L998-F1029 HydrophobicContact CD2-CD1 3.79Å; L998-F1029 HydrophobicContact CD2-CD2 4.02Å; L998-F1029 HydrophobicContact CD2-CE1 3.81Å; L998-F1029 HydrophobicContact CD2-CE2 4.06Å; L998-F1029 HydrophobicContact CD2-CG 3.87Å; L998-F1029 HydrophobicContact CD2-CZ 3.95Å; L998-F1029 HydrophobicContact CG-CE1 4.45Å; F1001-F1029 HydrophobicContact CB-CE2 4.1Å; F1001-F1029 HydrophobicContact CB-CZ 3.79Å; T1002-F1029 WeakPolarHBondContact OG1-CE1 3.42Å; L1025-F1029 HydrophobicContact CD1-CD2 4.05Å; L1025-F1029 HydrophobicContact CD1-CE2 3.78Å; L1025-F1029 HydrophobicContact CD2-CE2 3.96Å; L1025-F1029 HydrophobicContact CG-CD2 3.84Å; L1025-F1029 HydrophobicContact CG-CE2 3.66Å; L1025-F1029 WeakPolarHBondContact O-CD2 3.4Å; L1025-F1029 PolarHBondContact O-N 3.4Å; A1026-F1029 PolarHBondContact O-N 2.79Å; F1029-A1032 PolarHBondContact O-N 3.36Å; F1029-A1033 WeakPolarHBondContact O-CB 3.49Å; F1029-A1033 PolarHBondContact O-N 3.34Å; F1029-L1048 HydrophobicContact CD1-CB 4.21Å; F1029-L1048 HydrophobicContact CD1-CD2 3.69Å; F1029-L1048 HydrophobicContact CE1-CD2 3.73Å; F1029-C1051 HydrophobicContact CD1-CB 4.35Å; F1029-C1051 HydrophobicContact CE1-CB 3.93Å; F1029-C1051 HydrophobicContact CZ-CB 4.04Å; F1029-V1055 HydrophobicContact CE2-CG2 4.31Å
1030M89.5Confident87Confident31 Ų3163.5 Ų63.515%0.15331%0.305CS..Hα-helixtrans-62.1-47.5176.7-178.6-172.470.300112.2A1026 E1027 R1028 A1033 L1034 E1061 L1062A1026-M1030 WeakPolarHBondContact O-CB 3.42Å; A1026-M1030 PolarHBondContact O-N 2.74Å; E1027-M1030 HydrophobicContact CG-CE 4Å; E1027-M1030 WeakPolarHBondContact O-CB 3.23Å; E1027-M1030 PolarHBondContact O-N 3.07Å; R1028-M1030 VanDerWaalsContact C-N 3.28Å; R1028-M1030 PolarHBondContact O-N 3.3Å; M1030-A1033 PolarHBondContact O-N 3.02Å; M1030-L1034 HydrophobicContact CG-CD1 4.22Å; M1030-L1034 WeakPolarHBondContact O-CB 3.45Å; M1030-L1034 WeakPolarHBondContact O-CG 3.48Å; M1030-L1034 PolarHBondContact O-N 2.99Å; M1030-E1061 HydrophobicContact CG-CB 4.42Å; M1030-E1061 HydrophobicContact SD-CB 3.29Å; M1030-E1061 WeakPolarHBondContact SD-CB 3.32Å; M1030-E1061 HydrophobicContact SD-CG 4Å; M1030-L1062 HydrophobicContact CB-CD1 4.49Å; M1030-L1062 HydrophobicContact CB-CD2 3.71Å; M1030-L1062 HydrophobicContact CB-CG 3.89Å; M1030-L1062 HydrophobicContact CG-CD2 4.13Å; M1030-L1062 HydrophobicContact CG-CG 4.24Å
1031R89Confident87.2Confident97 Ų9766.7 Ų66.737%0.36632%0.319SS..Hα-helixtrans-63.5-43.1179-67.5-170.7-139.2142.7-3.9111.9E1027 R1028 L1034 Q1035E1027-R1031 WeakPolarHBondContact O-CG 3.3Å; E1027-R1031 PolarHBondContact O-N 3.48Å; E1027-R1031 IonicContact OE1-CZ 3.27Å; E1027-R1031 IonicContact OE1-NE 4Å; E1027-R1031 PolarHBondContact OE1-NE 3.05Å; E1027-R1031 IonicContact OE1-NH2 3.53Å; E1027-R1031 PolarHBondContact OE1-NH2 3.25Å; E1027-R1031 IonicContact OE2-NH2 2.65Å; E1027-R1031 PolarHBondContact OE2-NH2 3.11Å; R1028-R1031 VanDerWaalsContact CZ-NH1 3.33Å; R1028-R1031 PolarHBondContact O-N 2.86Å; R1031-L1034 PolarHBondContact O-N 2.99Å; R1031-Q1035 PolarHBondContact O-N 3.25Å
1032A88.7Confident87Confident19 Ų1967.4 Ų67.416%0.15732%0.318CS..Hα-helixtrans-66.7-39.4176.800000112.5L998 R1028 F1029 Q1035 Q1036 L1048L998-A1032 HydrophobicContact CD1-CB 3.25Å; R1028-A1032 PolarHBondContact O-N 3.34Å; F1029-A1032 PolarHBondContact O-N 3.36Å; A1032-Q1035 PolarHBondContact O-N 3.45Å; A1032-Q1036 WeakPolarHBondContact O-CG 3.36Å; A1032-Q1036 PolarHBondContact O-N 3.02Å; A1032-L1048 HydrophobicContact CB-CD1 4Å
1033A87.9Confident86.8Confident0 Ų069.4 Ų69.40%034%0.336CS..Hα-helixtrans-63.1-40.6174.800000112.2F1029 M1030 Q1035 Q1036 Y1037 L1048 I1049 L1065F1029-A1033 WeakPolarHBondContact O-CB 3.49Å; F1029-A1033 PolarHBondContact O-N 3.34Å; M1030-A1033 PolarHBondContact O-N 3.02Å; A1033-Q1035 VanDerWaalsContact C-N 3.34Å; A1033-Q1036 PolarHBondContact O-N 3.22Å; A1033-Y1037 WeakPolarHBondContact O-CB 3.41Å; A1033-Y1037 PolarHBondContact O-N 3.06Å; A1033-L1048 HydrophobicContact CB-CB 4.06Å; A1033-I1049 HydrophobicContact CB-CD1 4.29Å; A1033-I1049 HydrophobicContact CB-CG1 3.62Å; A1033-L1065 HydrophobicContact CB-CD2 3.64Å
1034L88.3Confident86.6Confident81 Ų8167.4 Ų67.442%0.42433%0.325SS..Hα-helixtrans-62.3-41.1174-76.4167.4000111.8M1030 R1031 G1038 L1065M1030-L1034 HydrophobicContact CG-CD1 4.22Å; M1030-L1034 WeakPolarHBondContact O-CB 3.45Å; M1030-L1034 WeakPolarHBondContact O-CG 3.48Å; M1030-L1034 PolarHBondContact O-N 2.99Å; R1031-L1034 PolarHBondContact O-N 2.99Å; L1034-G1038 PolarHBondContact O-N 3.12Å; L1034-L1065 HydrophobicContact CD2-CD1 3.57Å; L1034-L1065 HydrophobicContact CD2-CD2 3.93Å; L1034-L1065 HydrophobicContact CD2-CG 4.36Å; L1034-L1065 HydrophobicContact CG-CD1 4.46Å; L1034-L1065 HydrophobicContact CG-CD2 3.91Å
1035Q87.6Confident86.6Confident117 Ų11759.1 Ų59.155%0.54729%0.293SS..Hα-helixtrans-64.3-50.1176.3-174.1-177.9-7.700111.6R1031 A1032 A1033 Y1037 G1038 E1039R1031-Q1035 PolarHBondContact O-N 3.25Å; A1032-Q1035 PolarHBondContact O-N 3.45Å; A1033-Q1035 VanDerWaalsContact C-N 3.34Å; Q1035-Y1037 VanDerWaalsContact C-N 3.28Å; Q1035-Y1037 PolarHBondContact O-N 3.42Å; Q1035-G1038 PolarHBondContact O-N 2.89Å; Q1035-G1038 VanDerWaalsContact O-N 3.11Å; Q1035-E1039 WeakPolarHBondContact CG-OE1 3.27Å; Q1035-E1039 PolarHBondContact NE2-OE1 3.36Å; Q1035-E1039 WeakPolarHBondContact O-CG 3.45Å; Q1035-E1039 PolarHBondContact O-N 3.34Å
1036Q87.6Confident86.5Confident34 Ų3462.9 Ų62.916%0.15931%0.308CS..Hα-helixtrans-65.2-31.3179.5-68.4-57.6-60.700112.9A1032 A1033 E1039 Q1040 Q1041 A1045 L1048A1032-Q1036 WeakPolarHBondContact O-CG 3.36Å; A1032-Q1036 PolarHBondContact O-N 3.02Å; A1033-Q1036 PolarHBondContact O-N 3.22Å; Q1036-E1039 PolarHBondContact NE2-OE2 3.46Å; Q1036-E1039 CarbonylContact O-C 3.56Å; Q1036-E1039 PolarHBondContact O-N 2.97Å; Q1036-Q1040 PolarHBondContact O-N 3.07Å; Q1036-Q1041 HydrophobicContact CB-CB 4.47Å; Q1036-Q1041 PolarHBondContact O-N 3.25Å; Q1036-A1045 HydrophobicContact CB-CB 4.11Å; Q1036-L1048 HydrophobicContact CG-CD1 4.03Å
1037Y86.1Confident86.5Confident42 Ų4266.2 Ų66.217%0.16533%0.328CS..Hα-helixtrans-65.5-44171177.7-106.9000111.9A1033 Q1035 E1039 Q1040 L1042 L1065 V1069 E1072A1033-Y1037 WeakPolarHBondContact O-CB 3.41Å; A1033-Y1037 PolarHBondContact O-N 3.06Å; Q1035-Y1037 VanDerWaalsContact C-N 3.28Å; Q1035-Y1037 PolarHBondContact O-N 3.42Å; Y1037-E1039 VanDerWaalsContact C-N 3.27Å; Y1037-E1039 PolarHBondContact O-N 3.36Å; Y1037-Q1040 PolarHBondContact O-N 3.16Å; Y1037-Q1040 VanDerWaalsContact O-N 3.1Å; Y1037-L1042 HydrophobicContact CD2-CD2 3.92Å; Y1037-L1042 HydrophobicContact CE2-CD2 4.22Å; Y1037-L1065 HydrophobicContact CD1-CD1 4.34Å; Y1037-L1065 HydrophobicContact CG-CD1 4.45Å; Y1037-V1069 HydrophobicContact CD2-CG2 3.6Å; Y1037-V1069 HydrophobicContact CE2-CG2 3.87Å; Y1037-V1069 HydrophobicContact CG-CG2 4.48Å; Y1037-E1072 WeakPolarHBondContact CE2-OE2 3.44Å; Y1037-E1072 PolarHBondContact OH-OE1 2.97Å; Y1037-E1072 PolarHBondContact OH-OE2 2.68Å
1038G83.8Confident86.5Confident62 Ų6263.4 Ų63.464%0.63932%0.316SS*.Hα-helixtrans-62.5-32.3172.800000113.6L1034 Q1035 Q1040L1034-G1038 PolarHBondContact O-N 3.12Å; Q1035-G1038 PolarHBondContact O-N 2.89Å; Q1035-G1038 VanDerWaalsContact O-N 3.11Å; G1038-Q1040 VanDerWaalsContact C-N 3.26Å; G1038-Q1040 PolarHBondContact O-N 3.09Å
1039E85.3Confident86.4Confident103 Ų10360 Ų6048%0.48130%0.303SS..THydrogen-bonded Turntrans-82.16174.9-67.4170.2-168.900113.5Q1035 Q1036 Y1037 Q1041Q1035-E1039 WeakPolarHBondContact CG-OE1 3.27Å; Q1035-E1039 PolarHBondContact NE2-OE1 3.36Å; Q1035-E1039 WeakPolarHBondContact O-CG 3.45Å; Q1035-E1039 PolarHBondContact O-N 3.34Å; Q1036-E1039 PolarHBondContact NE2-OE2 3.46Å; Q1036-E1039 CarbonylContact O-C 3.56Å; Q1036-E1039 PolarHBondContact O-N 2.97Å; Y1037-E1039 VanDerWaalsContact C-N 3.27Å; Y1037-E1039 PolarHBondContact O-N 3.36Å; E1039-Q1041 PolarHBondContact O-N 2.8Å
1040Q82.4Confident86.2Confident132 Ų13262.2 Ų62.262%0.61731%0.313SS*.THydrogen-bonded Turntrans60.319.8-179.4-66.5-71-18.400115.3Q1036 Y1037 G1038 L1042Q1036-Q1040 PolarHBondContact O-N 3.07Å; Y1037-Q1040 PolarHBondContact O-N 3.16Å; Y1037-Q1040 VanDerWaalsContact O-N 3.1Å; G1038-Q1040 VanDerWaalsContact C-N 3.26Å; G1038-Q1040 PolarHBondContact O-N 3.09Å; Q1040-L1042 VanDerWaalsContact C-N 3.31Å; Q1040-L1042 PolarHBondContact O-N 3.22Å; Q1040-L1042 VanDerWaalsContact O-N 3.13Å
1041Q84.2Confident86.2Confident87 Ų8761.7 Ų61.741%0.40731%0.312SS..  trans-8866.8174.6-65.4-99.8-41.600110.1Q1036 E1039 D1043 K1044 A1045Q1036-Q1041 HydrophobicContact CB-CB 4.47Å; Q1036-Q1041 PolarHBondContact O-N 3.25Å; E1039-Q1041 PolarHBondContact O-N 2.8Å; Q1041-D1043 VanDerWaalsContact C-N 3.31Å; Q1041-D1043 PolarHBondContact O-N 3Å; Q1041-K1044 HydrophobicContact CB-CB 4.31Å; Q1041-K1044 HydrophobicContact CB-CD 4.4Å; Q1041-K1044 PolarHBondContact O-N 3.39Å; Q1041-K1044 VanDerWaalsContact O-N 3.13Å; Q1041-K1044 VanDerWaalsContact OE1-CD 3.28Å; Q1041-A1045 PolarHBondContact O-N 3.45Å
1042L82.9Confident86.1Confident36 Ų3657.1 Ų57.119%0.18830%0.295CS..Hα-helixtrans-58-38.2-169.9-60.7178.4000113.7Y1037 Q1040 K1044 A1045 W1046 V1069 V1073Y1037-L1042 HydrophobicContact CD2-CD2 3.92Å; Y1037-L1042 HydrophobicContact CE2-CD2 4.22Å; Q1040-L1042 VanDerWaalsContact C-N 3.31Å; Q1040-L1042 PolarHBondContact O-N 3.22Å; Q1040-L1042 VanDerWaalsContact O-N 3.13Å; L1042-K1044 PolarHBondContact O-N 2.91Å; L1042-A1045 PolarHBondContact O-N 3.22Å; L1042-W1046 WeakPolarHBondContact O-CB 3.36Å; L1042-W1046 PolarHBondContact O-N 3.49Å; L1042-V1069 HydrophobicContact CD2-CG1 4.45Å; L1042-V1073 HydrophobicContact CB-CG2 4.01Å; L1042-V1073 HydrophobicContact CD1-CG2 3.81Å; L1042-V1073 HydrophobicContact CG-CG2 4.45Å
1043D82.2Confident86Confident136 Ų13657.2 Ų57.273%0.72729%0.293SS*.Hα-helixtrans-64.5-40.6178.5-67.1-31.1000112.5Q1041 W1046 T1047Q1041-D1043 VanDerWaalsContact C-N 3.31Å; Q1041-D1043 PolarHBondContact O-N 3Å; D1043-W1046 PolarHBondContact O-N 3.29Å; D1043-T1047 WeakPolarHBondContact O-CG2 3.39Å; D1043-T1047 PolarHBondContact O-N 3.07Å; D1043-T1047 VanDerWaalsContact O-N 3.15Å
1044K82Confident86Confident110 Ų11059 Ų5948%0.47830%0.303SS..Hα-helixtrans-73.5-38.6177-67.5-176.9-1761610111.7Q1041 L1042 W1046 T1047 L1048Q1041-K1044 HydrophobicContact CB-CB 4.31Å; Q1041-K1044 HydrophobicContact CB-CD 4.4Å; Q1041-K1044 PolarHBondContact O-N 3.39Å; Q1041-K1044 VanDerWaalsContact O-N 3.13Å; Q1041-K1044 VanDerWaalsContact OE1-CD 3.28Å; L1042-K1044 PolarHBondContact O-N 2.91Å; K1044-W1046 VanDerWaalsContact C-N 3.26Å; K1044-W1046 PolarHBondContact O-N 2.88Å; K1044-T1047 PolarHBondContact O-N 3.42Å; K1044-T1047 PolarHBondContact O-OG1 3.45Å; K1044-L1048 VanDerWaalsContact O-CG 3.28Å; K1044-L1048 WeakPolarHBondContact O-CG 3.01Å; K1044-L1048 PolarHBondContact O-N 3.32Å; K1044-L1048 VanDerWaalsContact O-N 3.14Å
1045A85.3Confident85.9Confident0 Ų055.3 Ų55.30%029%0.285CS..Hα-helixtrans-59.8-41.517300000110.4Q1036 Q1041 L1042 L1048 I1049Q1036-A1045 HydrophobicContact CB-CB 4.11Å; Q1041-A1045 PolarHBondContact O-N 3.45Å; L1042-A1045 PolarHBondContact O-N 3.22Å; A1045-L1048 PolarHBondContact O-N 3.1Å; A1045-I1049 VanDerWaalsContact O-CD1 3.25Å; A1045-I1049 WeakPolarHBondContact O-CD1 3.41Å; A1045-I1049 WeakPolarHBondContact O-CG1 3.39Å; A1045-I1049 PolarHBondContact O-N 3.03Å
1046W87.2Confident85.8Confident81 Ų8151.5 Ų51.531%0.30727%0.268SS..Hα-helixtrans-61.6-49.3177.5-172.6-96.7000112.8L1042 D1043 K1044 L1048 I1049 E1050 R1066 V1069 K1070L1042-W1046 WeakPolarHBondContact O-CB 3.36Å; L1042-W1046 PolarHBondContact O-N 3.49Å; D1043-W1046 PolarHBondContact O-N 3.29Å; K1044-W1046 VanDerWaalsContact C-N 3.26Å; K1044-W1046 PolarHBondContact O-N 2.88Å; W1046-L1048 PolarHBondContact O-N 3.48Å; W1046-I1049 PolarHBondContact O-N 3.42Å; W1046-E1050 WeakPolarHBondContact CZ2-OE1 3.25Å; W1046-E1050 WeakPolarHBondContact O-CG 3.44Å; W1046-E1050 PolarHBondContact O-N 3.17Å; W1046-R1066 HydrophobicContact CH2-CG 3.87Å; W1046-R1066 HydrophobicContact CZ3-CG 3.82Å; W1046-V1069 HydrophobicContact CE3-CB 4.2Å; W1046-V1069 HydrophobicContact CE3-CG1 3.83Å; W1046-K1070 HydrophobicContact CH2-CB 4.21Å; W1046-K1070 HydrophobicContact CH2-CD 4.34Å; W1046-K1070 HydrophobicContact CH2-CG 4.31Å; W1046-K1070 HydrophobicContact CZ3-CB 3.89Å; W1046-K1070 HydrophobicContact CZ3-CG 4.44Å
1047T87Confident85.6Confident69 Ų6951.8 Ų51.842%0.42328%0.28SS..Hα-helixtrans-61.9-42179.856.60000112.2D1043 K1044 I1049 E1050 C1051D1043-T1047 WeakPolarHBondContact O-CG2 3.39Å; D1043-T1047 PolarHBondContact O-N 3.07Å; D1043-T1047 VanDerWaalsContact O-N 3.15Å; K1044-T1047 PolarHBondContact O-N 3.42Å; K1044-T1047 PolarHBondContact O-OG1 3.45Å; T1047-I1049 VanDerWaalsContact C-N 3.34Å; T1047-I1049 PolarHBondContact O-N 3.21Å; T1047-E1050 PolarHBondContact O-N 3.27Å; T1047-C1051 WeakPolarHBondContact O-CB 3.44Å; T1047-C1051 PolarHBondContact O-N 2.95Å; T1047-C1051 PolarHBondContact O-SG 3.23Å
1048L88.4Confident85.4Confident22 Ų2256.6 Ų56.612%0.11530%0.304CS..Hα-helixtrans-63.9-37.6176.4-67.6172.1000112.4L998 F1029 A1032 A1033 Q1036 K1044 A1045 W1046 G1052L998-L1048 HydrophobicContact CB-CD2 4.33Å; F1029-L1048 HydrophobicContact CD1-CB 4.21Å; F1029-L1048 HydrophobicContact CD1-CD2 3.69Å; F1029-L1048 HydrophobicContact CE1-CD2 3.73Å; A1032-L1048 HydrophobicContact CB-CD1 4Å; A1033-L1048 HydrophobicContact CB-CB 4.06Å; Q1036-L1048 HydrophobicContact CG-CD1 4.03Å; K1044-L1048 VanDerWaalsContact O-CG 3.28Å; K1044-L1048 WeakPolarHBondContact O-CG 3.01Å; K1044-L1048 PolarHBondContact O-N 3.32Å; K1044-L1048 VanDerWaalsContact O-N 3.14Å; A1045-L1048 PolarHBondContact O-N 3.1Å; W1046-L1048 PolarHBondContact O-N 3.48Å; L1048-G1052 PolarHBondContact O-N 3.34Å
1049I87.2Confident85.5Confident0 Ų054.8 Ų54.80%028%0.28CS..Hα-helixtrans-67.1-47.4176.7-69161.1000111A1033 A1045 W1046 T1047 C1051 G1052 L1053 L1062 L1065 R1066 V1069A1033-I1049 HydrophobicContact CB-CD1 4.29Å; A1033-I1049 HydrophobicContact CB-CG1 3.62Å; A1045-I1049 VanDerWaalsContact O-CD1 3.25Å; A1045-I1049 WeakPolarHBondContact O-CD1 3.41Å; A1045-I1049 WeakPolarHBondContact O-CG1 3.39Å; A1045-I1049 PolarHBondContact O-N 3.03Å; W1046-I1049 PolarHBondContact O-N 3.42Å; T1047-I1049 VanDerWaalsContact C-N 3.34Å; T1047-I1049 PolarHBondContact O-N 3.21Å; I1049-C1051 VanDerWaalsContact C-N 3.34Å; I1049-C1051 PolarHBondContact O-N 3.07Å; I1049-G1052 PolarHBondContact O-N 3.11Å; I1049-L1053 HydrophobicContact CG2-CD1 4.01Å; I1049-L1053 WeakPolarHBondContact O-CG 3.46Å; I1049-L1053 PolarHBondContact O-N 3.16Å; I1049-L1062 HydrophobicContact CG1-CD2 4.33Å; I1049-L1065 HydrophobicContact CD1-CB 4.24Å; I1049-L1065 HydrophobicContact CD1-CD2 3.8Å; I1049-L1065 HydrophobicContact CD1-CG 3.69Å; I1049-L1065 HydrophobicContact CG1-CD2 3.94Å; I1049-L1065 HydrophobicContact CG1-CG 4.29Å; I1049-R1066 HydrophobicContact CG2-CB 3.61Å; I1049-R1066 HydrophobicContact CG2-CG 3.97Å; I1049-V1069 HydrophobicContact CD1-CB 4.5Å; I1049-V1069 HydrophobicContact CD1-CG2 3.75Å
1050E88.5Confident85.4Confident48 Ų4852.2 Ų52.222%0.22428%0.276CS..Hα-helixtrans-61.5-43.8177.9-67.1-62.4154.600110.9W1046 T1047 L1053 V1054 R1066W1046-E1050 WeakPolarHBondContact CZ2-OE1 3.25Å; W1046-E1050 WeakPolarHBondContact O-CG 3.44Å; W1046-E1050 PolarHBondContact O-N 3.17Å; T1047-E1050 PolarHBondContact O-N 3.27Å; E1050-L1053 PolarHBondContact O-N 3.37Å; E1050-V1054 WeakPolarHBondContact O-CB 2.98Å; E1050-V1054 VanDerWaalsContact O-CG2 3.25Å; E1050-V1054 WeakPolarHBondContact O-CG2 3.37Å; E1050-V1054 PolarHBondContact O-N 3.22Å; E1050-R1066 IonicContact OE1-CZ 3.43Å; E1050-R1066 IonicContact OE1-NE 3.32Å; E1050-R1066 PolarHBondContact OE1-NE 3.29Å; E1050-R1066 IonicContact OE1-NH2 3.73Å; E1050-R1066 PolarHBondContact OE1-NH2 3.31Å; E1050-R1066 IonicContact OE2-CZ 3.44Å; E1050-R1066 IonicContact OE2-NE 3.39Å; E1050-R1066 IonicContact OE2-NH1 2.67Å; E1050-R1066 IonicContact OE2-NH2 2.57Å; E1050-R1066 PolarHBondContact OE2-NH2 3.28Å
1051C87.7Confident85.5Confident20 Ų2050.3 Ų50.314%0.13527%0.267CS..Hα-helixtrans-63.8-41.3174.7-74.50000112.6L1005 F1029 T1047 I1049 L1053 V1054 V1055L1005-C1051 HydrophobicContact CD1-CB 4.01Å; F1029-C1051 HydrophobicContact CD1-CB 4.35Å; F1029-C1051 HydrophobicContact CE1-CB 3.93Å; F1029-C1051 HydrophobicContact CZ-CB 4.04Å; T1047-C1051 WeakPolarHBondContact O-CB 3.44Å; T1047-C1051 PolarHBondContact O-N 2.95Å; T1047-C1051 PolarHBondContact O-SG 3.23Å; I1049-C1051 VanDerWaalsContact C-N 3.34Å; I1049-C1051 PolarHBondContact O-N 3.07Å; C1051-L1053 PolarHBondContact O-N 3.19Å; C1051-V1054 WeakPolarHBondContact O-CB 3.45Å; C1051-V1054 PolarHBondContact O-N 3.27Å; C1051-V1055 WeakPolarHBondContact O-CG2 2.95Å; C1051-V1055 PolarHBondContact O-N 3.38Å; C1051-V1055 VanDerWaalsContact O-N 3.14Å
1052G87.4Confident85.6Confident0 Ų046.1 Ų46.10%025%0.247CC..Hα-helixtrans-61-41.2175.200000113L1048 I1049 V1054 V1055 D1056L1048-G1052 PolarHBondContact O-N 3.34Å; I1049-G1052 PolarHBondContact O-N 3.11Å; G1052-V1054 VanDerWaalsContact C-N 3.35Å; G1052-V1055 PolarHBondContact O-N 3.05Å; G1052-D1056 PolarHBondContact O-N 3.32Å
1053L87.3Confident85.7Confident22 Ų2249.4 Ų49.412%0.11526%0.257CS..Hα-helixtrans-72.4-27176.2-69.9172.4000113.1I1049 E1050 C1051 V1055 D1056 G1057 L1062 R1063 R1066I1049-L1053 HydrophobicContact CG2-CD1 4.01Å; I1049-L1053 WeakPolarHBondContact O-CG 3.46Å; I1049-L1053 PolarHBondContact O-N 3.16Å; E1050-L1053 PolarHBondContact O-N 3.37Å; C1051-L1053 PolarHBondContact O-N 3.19Å; L1053-V1055 VanDerWaalsContact C-N 3.29Å; L1053-D1056 CarbonylContact O-C 3.55Å; L1053-G1057 VanDerWaalsContact O-CA 3.25Å; L1053-G1057 WeakPolarHBondContact O-CA 3.33Å; L1053-G1057 PolarHBondContact O-N 3.38Å; L1053-L1062 HydrophobicContact CD2-CB 3.66Å; L1053-L1062 HydrophobicContact CG-CB 4.01Å; L1053-R1063 HydrophobicContact CD2-CG 3.66Å; L1053-R1066 HydrophobicContact CD1-CB 4.49Å
1054V87.3Confident85.9Confident36 Ų3649.3 Ų49.322%0.21825%0.247CC..Hα-helixtrans-66.7-34.2171161.90000111.2L1005 R1009 E1050 C1051 G1052L1005-V1054 HydrophobicContact CD1-CG1 4.35Å; L1005-V1054 HydrophobicContact CD2-CG1 3.8Å; R1009-V1054 HydrophobicContact CG-CG1 3.99Å; E1050-V1054 WeakPolarHBondContact O-CB 2.98Å; E1050-V1054 VanDerWaalsContact O-CG2 3.25Å; E1050-V1054 WeakPolarHBondContact O-CG2 3.37Å; E1050-V1054 PolarHBondContact O-N 3.22Å; C1051-V1054 WeakPolarHBondContact O-CB 3.45Å; C1051-V1054 PolarHBondContact O-N 3.27Å; G1052-V1054 VanDerWaalsContact C-N 3.35Å
1055V85.9Confident86Confident5 Ų544.4 Ų44.43%0.0323%0.226CC..Hα-helixtrans-78.5-46.7178.7175.70000112L1005 L1013 V1016 R1022 L1025 A1026 F1029 C1051 G1052 L1053L1005-V1055 HydrophobicContact CD1-CG2 3.72Å; L1005-V1055 HydrophobicContact CD2-CG2 4.35Å; L1013-V1055 HydrophobicContact CD2-CB 4.37Å; L1013-V1055 HydrophobicContact CD2-CG2 4.15Å; V1016-V1055 HydrophobicContact CG1-CG1 4.32Å; R1022-V1055 HydrophobicContact CB-CG1 3.9Å; R1022-V1055 HydrophobicContact CG-CG1 4Å; R1022-V1055 VanDerWaalsContact O-CG1 3.32Å; R1022-V1055 WeakPolarHBondContact O-CG1 3.43Å; L1025-V1055 HydrophobicContact CB-CG1 4.27Å; L1025-V1055 HydrophobicContact CD2-CG1 4.25Å; L1025-V1055 HydrophobicContact CD2-CG2 4.1Å; L1025-V1055 HydrophobicContact CG-CG1 4.41Å; A1026-V1055 HydrophobicContact CB-CG1 4.42Å; F1029-V1055 HydrophobicContact CE2-CG2 4.31Å; C1051-V1055 WeakPolarHBondContact O-CG2 2.95Å; C1051-V1055 PolarHBondContact O-N 3.38Å; C1051-V1055 VanDerWaalsContact O-N 3.14Å; G1052-V1055 PolarHBondContact O-N 3.05Å; L1053-V1055 VanDerWaalsContact C-N 3.29Å
1056D87.4Confident86.1Confident37 Ų3749.1 Ų49.120%0.19824%0.243CC..  trans-134.496.2176.1-177.87.2000110A1026 G1052 L1053 E1058 N1059A1026-D1056 HydrophobicContact CB-CB 3.56Å; G1052-D1056 PolarHBondContact O-N 3.32Å; L1053-D1056 CarbonylContact O-C 3.55Å; D1056-E1058 PolarHBondContact O-N 3.42Å; D1056-E1058 PolarHBondContact OD1-N 2.95Å; D1056-E1058 VanDerWaalsContact OD1-N 3.08Å; D1056-N1059 HydrophobicContact CB-CB 4.37Å; D1056-N1059 PolarHBondContact O-N 3Å
1057G81.6Confident85.9Confident40 Ų4047.3 Ų47.341%0.41225%0.246SC..THydrogen-bonded Turntrans-64.1-20.1-179.300000113.5L1053 R1063L1053-G1057 VanDerWaalsContact O-CA 3.25Å; L1053-G1057 WeakPolarHBondContact O-CA 3.33Å; L1053-G1057 PolarHBondContact O-N 3.38Å; G1057-R1063 PolarHBondContact O-NE 2.91Å; G1057-R1063 PolarHBondContact O-NH2 3.38Å
1058E82.6Confident85.8Confident142 Ų14250.4 Ų50.466%0.66425%0.25SC*.THydrogen-bonded Turntrans-92.4-3.6-176.1-67.4-55.514800114.7D1056 A1060 R1063D1056-E1058 PolarHBondContact O-N 3.42Å; D1056-E1058 PolarHBondContact OD1-N 2.95Å; D1056-E1058 VanDerWaalsContact OD1-N 3.08Å; E1058-A1060 PolarHBondContact O-N 3.05Å; E1058-R1063 VanDerWaalsContact CD-NH2 3.25Å; E1058-R1063 PolarHBondContact O-NH1 3.47Å; E1058-R1063 VanDerWaalsContact O-NH1 3.09Å; E1058-R1063 IonicContact OE1-NH2 2.59Å; E1058-R1063 PolarHBondContact OE1-NH2 3.27Å; E1058-R1063 IonicContact OE2-CZ 3.37Å; E1058-R1063 IonicContact OE2-NH1 3.32Å; E1058-R1063 PolarHBondContact OE2-NH1 3.16Å; E1058-R1063 IonicContact OE2-NH2 3.61Å; E1058-R1063 PolarHBondContact OE2-NH2 3.07Å
1059N85.7Confident85.5Confident25 Ų2549.3 Ų49.313%0.13424%0.244CC..  trans-66105.2-177.8-169-46000112.1D1056 E1061 L1062 R1063D1056-N1059 HydrophobicContact CB-CB 4.37Å; D1056-N1059 PolarHBondContact O-N 3Å; N1059-E1061 VanDerWaalsContact C-N 3.32Å; N1059-E1061 PolarHBondContact O-N 2.68Å; N1059-E1061 PolarHBondContact OD1-N 2.91Å; N1059-E1061 VanDerWaalsContact OD1-N 3.15Å; N1059-L1062 HydrophobicContact CB-CB 4.26Å; N1059-L1062 HydrophobicContact CB-CD1 4.05Å; N1059-L1062 HydrophobicContact CB-CG 4.44Å; N1059-L1062 PolarHBondContact OD1-N 3.2Å; N1059-R1063 WeakPolarHBondContact O-CG 3.2Å; N1059-R1063 PolarHBondContact O-N 3.03Å
1060A84.4Confident85.2Confident48 Ų4856 Ų5640%0.39727%0.273SS..Hα-helixtrans-62.8-35.2-175.800000113.3E1058 R1063 R1064E1058-A1060 PolarHBondContact O-N 3.05Å; A1060-R1063 PolarHBondContact O-N 3.37Å; A1060-R1064 WeakPolarHBondContact O-CG 3.45Å; A1060-R1064 PolarHBondContact O-N 3.33Å; A1060-R1064 VanDerWaalsContact O-N 3.1Å
1061E83.5Confident84.9Confident92 Ų9262.1 Ų62.143%0.4329%0.294SS..Hα-helixtrans-74.3-39.3-176.9-63.4-57.816200112.1M1030 N1059 R1063 R1064 L1065M1030-E1061 HydrophobicContact CG-CB 4.42Å; M1030-E1061 HydrophobicContact SD-CB 3.29Å; M1030-E1061 WeakPolarHBondContact SD-CB 3.32Å; M1030-E1061 HydrophobicContact SD-CG 4Å; N1059-E1061 VanDerWaalsContact C-N 3.32Å; N1059-E1061 PolarHBondContact O-N 2.68Å; N1059-E1061 PolarHBondContact OD1-N 2.91Å; N1059-E1061 VanDerWaalsContact OD1-N 3.15Å; E1061-R1063 VanDerWaalsContact C-N 3.34Å; E1061-R1063 PolarHBondContact O-N 3Å; E1061-R1064 PolarHBondContact O-N 3.29Å; E1061-R1064 IonicContact OE1-CZ 3.63Å; E1061-R1064 IonicContact OE1-NH1 2.65Å; E1061-R1064 PolarHBondContact OE1-NH1 2.92Å; E1061-R1064 IonicContact OE2-CZ 3.8Å; E1061-R1064 IonicContact OE2-NH1 2.9Å; E1061-R1064 PolarHBondContact OE2-NH1 2.71Å; E1061-L1065 WeakPolarHBondContact O-CB 3.12Å; E1061-L1065 PolarHBondContact O-N 3.15Å
1062L85.8Confident84.2Confident0 Ų065.2 Ų65.20%031%0.307CS..Hα-helixtrans-62.5-39.9172.8-79.6173000112A1026 M1030 I1049 L1053 N1059 R1064 L1065 R1066A1026-L1062 HydrophobicContact CB-CD1 4.4Å; M1030-L1062 HydrophobicContact CB-CD1 4.49Å; M1030-L1062 HydrophobicContact CB-CD2 3.71Å; M1030-L1062 HydrophobicContact CB-CG 3.89Å; M1030-L1062 HydrophobicContact CG-CD2 4.13Å; M1030-L1062 HydrophobicContact CG-CG 4.24Å; I1049-L1062 HydrophobicContact CG1-CD2 4.33Å; L1053-L1062 HydrophobicContact CD2-CB 3.66Å; L1053-L1062 HydrophobicContact CG-CB 4.01Å; N1059-L1062 HydrophobicContact CB-CB 4.26Å; N1059-L1062 HydrophobicContact CB-CD1 4.05Å; N1059-L1062 HydrophobicContact CB-CG 4.44Å; N1059-L1062 PolarHBondContact OD1-N 3.2Å; L1062-R1064 VanDerWaalsContact C-N 3.35Å; L1062-R1064 PolarHBondContact O-N 3.18Å; L1062-L1065 PolarHBondContact O-N 3.38Å; L1062-R1066 WeakPolarHBondContact O-CB 3.38Å; L1062-R1066 PolarHBondContact O-N 3.48Å
1063R86.3Confident83.4Confident105 Ų10569.5 Ų69.540%0.39633%0.333SS..Hα-helixtrans-63.6-39.8175.1-66.9-177.1-169138.5-27.2111.9L1053 G1057 E1058 N1059 A1060 E1061 R1066 A1067L1053-R1063 HydrophobicContact CD2-CG 3.66Å; G1057-R1063 PolarHBondContact O-NE 2.91Å; G1057-R1063 PolarHBondContact O-NH2 3.38Å; E1058-R1063 VanDerWaalsContact CD-NH2 3.25Å; E1058-R1063 PolarHBondContact O-NH1 3.47Å; E1058-R1063 VanDerWaalsContact O-NH1 3.09Å; E1058-R1063 IonicContact OE1-NH2 2.59Å; E1058-R1063 PolarHBondContact OE1-NH2 3.27Å; E1058-R1063 IonicContact OE2-CZ 3.37Å; E1058-R1063 IonicContact OE2-NH1 3.32Å; E1058-R1063 PolarHBondContact OE2-NH1 3.16Å; E1058-R1063 IonicContact OE2-NH2 3.61Å; E1058-R1063 PolarHBondContact OE2-NH2 3.07Å; N1059-R1063 WeakPolarHBondContact O-CG 3.2Å; N1059-R1063 PolarHBondContact O-N 3.03Å; A1060-R1063 PolarHBondContact O-N 3.37Å; E1061-R1063 VanDerWaalsContact C-N 3.34Å; E1061-R1063 PolarHBondContact O-N 3Å; R1063-R1066 WeakPolarHBondContact O-CB 3.02Å; R1063-A1067 PolarHBondContact O-N 3.2Å; R1063-A1067 VanDerWaalsContact O-N 3.16Å
1064R86.1Confident82.4Confident134 Ų13472.4 Ų72.451%0.50636%0.359SS..Hα-helixtrans-64.8-44.9174.7-72174.7-165.5159.94.5111.5A1060 E1061 L1062 A1067 R1068A1060-R1064 WeakPolarHBondContact O-CG 3.45Å; A1060-R1064 PolarHBondContact O-N 3.33Å; A1060-R1064 VanDerWaalsContact O-N 3.1Å; E1061-R1064 PolarHBondContact O-N 3.29Å; E1061-R1064 IonicContact OE1-CZ 3.63Å; E1061-R1064 IonicContact OE1-NH1 2.65Å; E1061-R1064 PolarHBondContact OE1-NH1 2.92Å; E1061-R1064 IonicContact OE2-CZ 3.8Å; E1061-R1064 IonicContact OE2-NH1 2.9Å; E1061-R1064 PolarHBondContact OE2-NH1 2.71Å; L1062-R1064 VanDerWaalsContact C-N 3.35Å; L1062-R1064 PolarHBondContact O-N 3.18Å; R1064-A1067 PolarHBondContact O-N 3.46Å; R1064-R1068 PolarHBondContact O-N 3.41Å; R1064-R1068 VanDerWaalsContact O-N 3.15Å
1065L84.4Confident81.1Confident6 Ų672.7 Ų72.73%0.03137%0.37CS..Hα-helixtrans-63.2-42.8178.4-16863.7000111.3A1033 L1034 Y1037 I1049 E1061 L1062 A1067 R1068 V1069A1033-L1065 HydrophobicContact CB-CD2 3.64Å; L1034-L1065 HydrophobicContact CD2-CD1 3.57Å; L1034-L1065 HydrophobicContact CD2-CD2 3.93Å; L1034-L1065 HydrophobicContact CD2-CG 4.36Å; L1034-L1065 HydrophobicContact CG-CD1 4.46Å; L1034-L1065 HydrophobicContact CG-CD2 3.91Å; Y1037-L1065 HydrophobicContact CD1-CD1 4.34Å; Y1037-L1065 HydrophobicContact CG-CD1 4.45Å; I1049-L1065 HydrophobicContact CD1-CB 4.24Å; I1049-L1065 HydrophobicContact CD1-CD2 3.8Å; I1049-L1065 HydrophobicContact CD1-CG 3.69Å; I1049-L1065 HydrophobicContact CG1-CD2 3.94Å; I1049-L1065 HydrophobicContact CG1-CG 4.29Å; E1061-L1065 WeakPolarHBondContact O-CB 3.12Å; E1061-L1065 PolarHBondContact O-N 3.15Å; L1062-L1065 PolarHBondContact O-N 3.38Å; L1065-A1067 VanDerWaalsContact C-N 3.29Å; L1065-A1067 PolarHBondContact O-N 2.96Å; L1065-R1068 WeakPolarHBondContact O-CB 3.39Å; L1065-R1068 PolarHBondContact O-N 3.17Å; L1065-V1069 WeakPolarHBondContact O-CG2 3.32Å; L1065-V1069 PolarHBondContact O-N 3.43Å
1066R86.1Confident79.3Confident100 Ų10078.2 Ų78.238%0.37741%0.406SS..Hα-helixtrans-52.5-46.7172.1-165.2-175.7-175.3178.95.7112.1W1046 I1049 E1050 L1053 L1062 R1063 R1068 K1070W1046-R1066 HydrophobicContact CH2-CG 3.87Å; W1046-R1066 HydrophobicContact CZ3-CG 3.82Å; I1049-R1066 HydrophobicContact CG2-CB 3.61Å; I1049-R1066 HydrophobicContact CG2-CG 3.97Å; E1050-R1066 IonicContact OE1-CZ 3.43Å; E1050-R1066 IonicContact OE1-NE 3.32Å; E1050-R1066 PolarHBondContact OE1-NE 3.29Å; E1050-R1066 IonicContact OE1-NH2 3.73Å; E1050-R1066 PolarHBondContact OE1-NH2 3.31Å; E1050-R1066 IonicContact OE2-CZ 3.44Å; E1050-R1066 IonicContact OE2-NE 3.39Å; E1050-R1066 IonicContact OE2-NH1 2.67Å; E1050-R1066 IonicContact OE2-NH2 2.57Å; E1050-R1066 PolarHBondContact OE2-NH2 3.28Å; L1053-R1066 HydrophobicContact CD1-CB 4.49Å; L1062-R1066 WeakPolarHBondContact O-CB 3.38Å; L1062-R1066 PolarHBondContact O-N 3.48Å; R1063-R1066 WeakPolarHBondContact O-CB 3.02Å; R1066-R1068 VanDerWaalsContact C-N 3.28Å; R1066-R1068 PolarHBondContact O-N 3.1Å; R1066-K1070 VanDerWaalsContact O-CB 3.29Å; R1066-K1070 WeakPolarHBondContact O-CB 3.37Å; R1066-K1070 PolarHBondContact O-N 3.36Å
1067A84.3Confident77.3Confident43 Ų4382.3 Ų82.336%0.35544%0.436SS..Hα-helixtrans-69.3-22.1179.900000113.7R1063 R1064 L1065 R1071R1063-A1067 PolarHBondContact O-N 3.2Å; R1063-A1067 VanDerWaalsContact O-N 3.16Å; R1064-A1067 PolarHBondContact O-N 3.46Å; L1065-A1067 VanDerWaalsContact C-N 3.29Å; L1065-A1067 PolarHBondContact O-N 2.96Å; A1067-R1071 WeakPolarHBondContact O-CG 3.3Å; A1067-R1071 PolarHBondContact O-NE 3.37Å
1068R83Confident75.4Confident133 Ų13387.4 Ų87.450%0.50245%0.454SS..Hα-helixtrans-80.4-51.3173.6-70.4-178.4-171.41772.5111.4R1064 L1065 R1066 K1070 R1071 E1072R1064-R1068 PolarHBondContact O-N 3.41Å; R1064-R1068 VanDerWaalsContact O-N 3.15Å; L1065-R1068 WeakPolarHBondContact O-CB 3.39Å; L1065-R1068 PolarHBondContact O-N 3.17Å; R1066-R1068 VanDerWaalsContact C-N 3.28Å; R1066-R1068 PolarHBondContact O-N 3.1Å; R1068-K1070 VanDerWaalsContact C-N 3.28Å; R1068-K1070 PolarHBondContact O-N 3.03Å; R1068-R1071 WeakPolarHBondContact O-CA 3.35Å; R1068-R1071 WeakPolarHBondContact O-CB 3.23Å; R1068-R1071 PolarHBondContact O-N 3.49Å; R1068-E1072 PolarHBondContact O-N 3.36Å
1069V82.4Confident73.4Confident0 Ų087.7 Ų87.70%046%0.458CS..Hα-helixtrans-57-43.1176.61800000110.7Y1037 L1042 W1046 I1049 L1065 R1071 E1072 V1073Y1037-V1069 HydrophobicContact CD2-CG2 3.6Å; Y1037-V1069 HydrophobicContact CE2-CG2 3.87Å; Y1037-V1069 HydrophobicContact CG-CG2 4.48Å; L1042-V1069 HydrophobicContact CD2-CG1 4.45Å; W1046-V1069 HydrophobicContact CE3-CB 4.2Å; W1046-V1069 HydrophobicContact CE3-CG1 3.83Å; I1049-V1069 HydrophobicContact CD1-CB 4.5Å; I1049-V1069 HydrophobicContact CD1-CG2 3.75Å; L1065-V1069 WeakPolarHBondContact O-CG2 3.32Å; L1065-V1069 PolarHBondContact O-N 3.43Å; V1069-R1071 PolarHBondContact O-N 3.38Å; V1069-E1072 PolarHBondContact O-N 3.46Å; V1069-V1073 HydrophobicContact CG1-CG2 4.1Å; V1069-V1073 WeakPolarHBondContact O-CG2 3.36Å; V1069-V1073 PolarHBondContact O-N 3.39Å
1070K82.3Confident70.7Confident141 Ų14197.6 Ų97.661%0.61351%0.511SS*.Hα-helixtrans-60.4-31.4176.8-164.1175.6-177.8179.70113.2W1046 R1066 R1068 A1074W1046-K1070 HydrophobicContact CH2-CB 4.21Å; W1046-K1070 HydrophobicContact CH2-CD 4.34Å; W1046-K1070 HydrophobicContact CH2-CG 4.31Å; W1046-K1070 HydrophobicContact CZ3-CB 3.89Å; W1046-K1070 HydrophobicContact CZ3-CG 4.44Å; R1066-K1070 VanDerWaalsContact O-CB 3.29Å; R1066-K1070 WeakPolarHBondContact O-CB 3.37Å; R1066-K1070 PolarHBondContact O-N 3.36Å; R1068-K1070 VanDerWaalsContact C-N 3.28Å; R1068-K1070 PolarHBondContact O-N 3.03Å; K1070-A1074 WeakPolarHBondContact O-CB 3.17Å; K1070-A1074 PolarHBondContact O-N 2.91Å
1071R80.8Confident70Confident176 Ų176100.1 Ų100.166%0.66452%0.517SS*.Hα-helixtrans-77.2-39.5177.8-84.7-177.3-87.9171-12.2112A1067 R1068 V1069 A1074 G1075A1067-R1071 WeakPolarHBondContact O-CG 3.3Å; A1067-R1071 PolarHBondContact O-NE 3.37Å; R1068-R1071 WeakPolarHBondContact O-CA 3.35Å; R1068-R1071 WeakPolarHBondContact O-CB 3.23Å; R1068-R1071 PolarHBondContact O-N 3.49Å; V1069-R1071 PolarHBondContact O-N 3.38Å; R1071-A1074 PolarHBondContact O-N 2.75Å; R1071-G1075 PolarHBondContact O-N 2.92Å; R1071-G1075 VanDerWaalsContact O-N 3.15Å
1072E74.5Confident69.3Low85 Ų85100.5 Ų100.540%0.39752%0.521SS..Hα-helixtrans-71.1-40.7177.2-78-177.9-174.200112.9Y1037 R1068 V1069 A1074 G1075Y1037-E1072 WeakPolarHBondContact CE2-OE2 3.44Å; Y1037-E1072 PolarHBondContact OH-OE1 2.97Å; Y1037-E1072 PolarHBondContact OH-OE2 2.68Å; R1068-E1072 PolarHBondContact O-N 3.36Å; V1069-E1072 PolarHBondContact O-N 3.46Å; E1072-A1074 VanDerWaalsContact C-N 3.26Å; E1072-A1074 PolarHBondContact O-N 3.34Å; E1072-G1075 PolarHBondContact O-N 3.3Å
1073V68.9Low68.4Low90 Ų90106.1 Ų106.155%0.54555%0.55SS.*Hα-helixtrans-65.8-30.2174.9176.40000111.8L1042 V1069L1042-V1073 HydrophobicContact CB-CG2 4.01Å; L1042-V1073 HydrophobicContact CD1-CG2 3.81Å; L1042-V1073 HydrophobicContact CG-CG2 4.45Å; V1069-V1073 HydrophobicContact CG1-CG2 4.1Å; V1069-V1073 WeakPolarHBondContact O-CG2 3.36Å; V1069-V1073 PolarHBondContact O-N 3.39Å
1074A67.6Low67.4Low82 Ų82106.1 Ų106.168%0.67856%0.56SS**THydrogen-bonded Turntrans-86.8-3.6176.700000113.9K1070 R1071 E1072K1070-A1074 WeakPolarHBondContact O-CB 3.17Å; K1070-A1074 PolarHBondContact O-N 2.91Å; R1071-A1074 PolarHBondContact O-N 2.75Å; E1072-A1074 VanDerWaalsContact C-N 3.26Å; E1072-A1074 PolarHBondContact O-N 3.34Å
1075G60.2Low66.2Low42 Ų42104.4 Ų104.443%0.43356%0.563SS.*SBendtrans-87.4124.5-179.900000111.8R1071 E1072R1071-G1075 PolarHBondContact O-N 2.92Å; R1071-G1075 VanDerWaalsContact O-N 3.15Å; E1072-G1075 PolarHBondContact O-N 3.3Å
1076P47.1Very low65Low121 Ų121110.9 Ų110.979%0.78660%0.598SS**  trans-69136.5169.528.9-30.4000109.6N1078P1076-N1078 PolarHBondContact O-N 3.11Å
1077C46.4Very low63.4Low124 Ų124111.7 Ų111.784%0.83861%0.614SS**  trans-41.4128.2173.7-62.70000112.3
1078N40.2Very low61.8Low147 Ų147117 Ų11779%0.78663%0.634SS**  trans-154.7101.5155.1-96.8-24.3000111.3P1076P1076-N1078 PolarHBondContact O-N 3.11Å
1079I40.8Very low60.1Low147 Ų147115.7 Ų115.775%0.75465%0.645SS**  trans36.397.7142.9-52.3167.9000117
1080N29.7Very low58Low233 Ų233126.2 Ų126.2100%1.24670%0.704SS**  -168.20107.9-95.9-23.1000110.9

Retrieved 1,080 of 1,080 residues in 836.1 ms (Link to these results)

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