A0A077Z995_TRITR Loading...

I LWEQ and ANTH domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z995, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 616 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
1M31.5Very low51.7Low127 Ų12761 Ų6163%0.62638%0.383SS*.  0138.20-74.1-167.6-161.100108.4L3 F13 L33 V36M1-L3 HydrophobicContact CB-CD1 4.05Å; M1-L3 HydrophobicContact CB-CG 4.18Å; M1-L3 PolarHBondContact O-N 3.05Å; M1-L3 HydrophobicContact SD-CD1 3.93Å; M1-F13 HydrophobicContact CE-CE1 4.32Å; M1-F13 HydrophobicContact CE-CZ 4.23Å; M1-F13 HydrophobicContact SD-CE1 3.89Å; M1-F13 HydrophobicContact SD-CZ 3.97Å; M1-L33 HydrophobicContact CE-CD2 4.38Å; M1-V36 HydrophobicContact CE-CB 4.12Å; M1-V36 HydrophobicContact CE-CG2 3.67Å; M1-V36 HydrophobicContact CG-CG2 4.28Å; M1-V36 HydrophobicContact SD-CB 4.33Å; M1-V36 HydrophobicContact SD-CG1 4.37Å; M1-V36 HydrophobicContact SD-CG2 3.75Å
2P34.5Very low52.8Low137 Ų13764.8 Ų64.889%0.8939%0.39SS*.  trans-77.745.1-176.435.4-35000111.9A4P2-A4 VanDerWaalsContact C-N 3.28Å
3L44.2Very low53.7Low35 Ų3565.5 Ų65.518%0.18338%0.384CS..  trans-86.72179.9-75170.3000112M1 G5 V9 C10 F13 V36M1-L3 HydrophobicContact CB-CD1 4.05Å; M1-L3 HydrophobicContact CB-CG 4.18Å; M1-L3 PolarHBondContact O-N 3.05Å; M1-L3 HydrophobicContact SD-CD1 3.93Å; L3-G5 PolarHBondContact O-N 3.24Å; L3-G5 VanDerWaalsContact O-N 3.16Å; L3-V9 HydrophobicContact CD2-CG1 4.06Å; L3-C10 PolarHBondContact O-SG 2.97Å; L3-F13 HydrophobicContact CD1-CD1 3.89Å; L3-F13 HydrophobicContact CD1-CE1 4.25Å; L3-F13 HydrophobicContact CD1-CG 4.47Å; L3-F13 HydrophobicContact CD2-CB 4.38Å; L3-V36 HydrophobicContact CD1-CG1 4.05Å
4A45.1Very low54.3Low82 Ų8262.9 Ų62.968%0.67837%0.371SS*.SBendtrans-73.6-6.6-169.700000115.4P2P2-A4 VanDerWaalsContact C-N 3.28Å
5G49.4Very low55.1Low49 Ų4961.9 Ų61.951%0.50536%0.361SS..SBendtrans-93.9-40-17500000115L3L3-G5 PolarHBondContact O-N 3.24Å; L3-G5 VanDerWaalsContact O-N 3.16Å
6D57.2Low55.8Low37 Ų3760.9 Ų60.920%0.19836%0.362CS..  trans-129.9109.7-169.9-174.5-20.5000111.6I8 V9 C10D6-I8 VanDerWaalsContact C-N 3.28Å; D6-I8 PolarHBondContact O-N 3.01Å; D6-I8 WeakPolarHBondContact OD1-CA 3.46Å; D6-I8 VanDerWaalsContact OD1-CB 3.25Å; D6-I8 WeakPolarHBondContact OD1-CB 3.48Å; D6-I8 PolarHBondContact OD1-N 2.9Å; D6-V9 HydrophobicContact CB-CB 3.95Å; D6-V9 HydrophobicContact CB-CG2 3.82Å; D6-V9 PolarHBondContact O-N 3.2Å; D6-V9 PolarHBondContact OD1-N 2.99Å; D6-V9 VanDerWaalsContact OD2-CG2 3.23Å; D6-V9 WeakPolarHBondContact OD2-CG2 3.23Å; D6-C10 PolarHBondContact O-N 3.34Å; D6-C10 PolarHBondContact O-SG 2.78Å
7P57Low56.2Low36 Ų3658.7 Ų58.723%0.23435%0.348CS..Hα-helixtrans-63.5-30.8178.127.9-35.2000112.8C10 W11 A230P7-C10 WeakPolarHBondContact O-CB 3.43Å; P7-C10 PolarHBondContact O-N 3.16Å; P7-W11 PolarHBondContact O-N 3.37Å; P7-W11 VanDerWaalsContact O-N 3.09Å; P7-A230 HydrophobicContact CB-CB 4Å; P7-A230 HydrophobicContact CG-CB 3.64Å
8I59Low57Low16 Ų1656.2 Ų56.28%0.08233%0.332CS..Hα-helixtrans-65.7-46.5176.7-64179.4000109.7D6 C10 W11 K12 V107 C110 E222D6-I8 VanDerWaalsContact C-N 3.28Å; D6-I8 PolarHBondContact O-N 3.01Å; D6-I8 WeakPolarHBondContact OD1-CA 3.46Å; D6-I8 VanDerWaalsContact OD1-CB 3.25Å; D6-I8 WeakPolarHBondContact OD1-CB 3.48Å; D6-I8 PolarHBondContact OD1-N 2.9Å; I8-C10 VanDerWaalsContact C-N 3.31Å; I8-C10 PolarHBondContact O-N 3.37Å; I8-W11 PolarHBondContact O-N 3.05Å; I8-K12 HydrophobicContact CG2-CD 4.01Å; I8-K12 HydrophobicContact CG2-CG 4.34Å; I8-K12 WeakPolarHBondContact O-CB 3.42Å; I8-K12 WeakPolarHBondContact O-CG 3.5Å; I8-K12 PolarHBondContact O-N 3.44Å; I8-V107 HydrophobicContact CD1-CG2 4.14Å; I8-C110 HydrophobicContact CG2-CB 4.23Å; I8-E222 HydrophobicContact CD1-CG 4.16Å; I8-E222 WeakPolarHBondContact CD1-OE1 2.91Å
9V62.8Low57.5Low64 Ų6458.9 Ų58.939%0.38834%0.339SS..Hα-helixtrans-61.7-40.7177.1174.30000110.8L3 D6 W11 K12 F13L3-V9 HydrophobicContact CD2-CG1 4.06Å; D6-V9 HydrophobicContact CB-CB 3.95Å; D6-V9 HydrophobicContact CB-CG2 3.82Å; D6-V9 PolarHBondContact O-N 3.2Å; D6-V9 PolarHBondContact OD1-N 2.99Å; D6-V9 VanDerWaalsContact OD2-CG2 3.23Å; D6-V9 WeakPolarHBondContact OD2-CG2 3.23Å; V9-W11 PolarHBondContact O-N 3.35Å; V9-K12 PolarHBondContact O-N 2.55Å; V9-F13 WeakPolarHBondContact O-CB 3.38Å; V9-F13 PolarHBondContact O-N 2.97Å
10C60.4Low57.8Low32 Ų3262.1 Ų62.122%0.21636%0.355CS..Hα-helixtrans-55.5-52.8173.4-66.10000112.3L3 D6 P7 I8 F13 C14L3-C10 PolarHBondContact O-SG 2.97Å; D6-C10 PolarHBondContact O-N 3.34Å; D6-C10 PolarHBondContact O-SG 2.78Å; P7-C10 WeakPolarHBondContact O-CB 3.43Å; P7-C10 PolarHBondContact O-N 3.16Å; I8-C10 VanDerWaalsContact C-N 3.31Å; I8-C10 PolarHBondContact O-N 3.37Å; C10-F13 PolarHBondContact O-N 3.19Å; C10-C14 WeakPolarHBondContact O-CB 3.38Å; C10-C14 PolarHBondContact O-N 2.79Å; C10-C14 PolarHBondContact O-SG 2.78Å
11W67.5Low58Low56 Ų5663 Ų6321%0.21236%0.358CS..Hα-helixtrans-68.7-39.5-175.8-72.1116.5000112.2P7 I8 V9 C14 H15 V90 C110 R111 P114P7-W11 PolarHBondContact O-N 3.37Å; P7-W11 VanDerWaalsContact O-N 3.09Å; I8-W11 PolarHBondContact O-N 3.05Å; V9-W11 PolarHBondContact O-N 3.35Å; W11-C14 PolarHBondContact O-N 3.13Å; W11-H15 WeakPolarHBondContact O-CB 3.46Å; W11-H15 PolarHBondContact O-N 3.18Å; W11-V90 HydrophobicContact CH2-CG2 3.84Å; W11-V90 HydrophobicContact CZ3-CG2 3.99Å; W11-C110 VanDerWaalsContact CB-O 3.31Å; W11-C110 WeakPolarHBondContact CB-O 3.49Å; W11-R111 HydrophobicContact CG-CG 4.45Å; W11-P114 HydrophobicContact CE3-CG 3.66Å; W11-P114 HydrophobicContact CZ3-CG 4.11Å
12K64.7Low59.6Low107 Ų10758.6 Ų58.647%0.46533%0.334SS..Hα-helixtrans-63.4-43.8174-75.2-175.3175.7-176.30111.8I8 V9 C14 H15 A16I8-K12 HydrophobicContact CG2-CD 4.01Å; I8-K12 HydrophobicContact CG2-CG 4.34Å; I8-K12 WeakPolarHBondContact O-CB 3.42Å; I8-K12 WeakPolarHBondContact O-CG 3.5Å; I8-K12 PolarHBondContact O-N 3.44Å; V9-K12 PolarHBondContact O-N 2.55Å; K12-C14 VanDerWaalsContact C-N 3.33Å; K12-C14 PolarHBondContact O-N 3.25Å; K12-H15 PolarHBondContact O-N 3.36Å; K12-A16 VanDerWaalsContact O-CB 3.3Å; K12-A16 WeakPolarHBondContact O-CB 3.47Å; K12-A16 PolarHBondContact O-N 3.38Å
13F64.3Low61Low73 Ų7357.1 Ų57.132%0.3232%0.319SS..Hα-helixtrans-60.2-44.2173.6177.5-97000111.1M1 L3 V9 C10 H15 A16 L17 V36M1-F13 HydrophobicContact CE-CE1 4.32Å; M1-F13 HydrophobicContact CE-CZ 4.23Å; M1-F13 HydrophobicContact SD-CE1 3.89Å; M1-F13 HydrophobicContact SD-CZ 3.97Å; L3-F13 HydrophobicContact CD1-CD1 3.89Å; L3-F13 HydrophobicContact CD1-CE1 4.25Å; L3-F13 HydrophobicContact CD1-CG 4.47Å; L3-F13 HydrophobicContact CD2-CB 4.38Å; V9-F13 WeakPolarHBondContact O-CB 3.38Å; V9-F13 PolarHBondContact O-N 2.97Å; C10-F13 PolarHBondContact O-N 3.19Å; F13-H15 PolarHBondContact O-N 3.31Å; F13-A16 PolarHBondContact O-N 3.24Å; F13-L17 HydrophobicContact CE1-CD2 3.8Å; F13-L17 HydrophobicContact CZ-CD2 3.97Å; F13-L17 VanDerWaalsContact O-CB 3.26Å; F13-L17 WeakPolarHBondContact O-CB 3.35Å; F13-L17 PolarHBondContact O-N 3.4Å; F13-V36 HydrophobicContact CD1-CG1 4.36Å; F13-V36 HydrophobicContact CE1-CG1 4.08Å
14C63.2Low61.4Low29 Ų2957.9 Ų57.920%0.19634%0.335CS..Hα-helixtrans-60-47.3176.9-68.90000112.1C10 W11 K12 H18 I37C10-C14 WeakPolarHBondContact O-CB 3.38Å; C10-C14 PolarHBondContact O-N 2.79Å; C10-C14 PolarHBondContact O-SG 2.78Å; W11-C14 PolarHBondContact O-N 3.13Å; K12-C14 VanDerWaalsContact C-N 3.33Å; K12-C14 PolarHBondContact O-N 3.25Å; C14-H18 WeakPolarHBondContact O-CB 3.48Å; C14-H18 PolarHBondContact O-N 2.86Å; C14-I37 HydrophobicContact CB-CD1 4.26Å; C14-I37 VanDerWaalsContact O-CD1 3.25Å; C14-I37 WeakPolarHBondContact O-CD1 3.31Å
15H66.2Low61.2Low49 Ų4961.2 Ų61.223%0.22734%0.336CS..Hα-helixtrans-62-46.3176.8179.585.6000111.9W11 K12 F13 H18 K19 A113 L117W11-H15 WeakPolarHBondContact O-CB 3.46Å; W11-H15 PolarHBondContact O-N 3.18Å; K12-H15 PolarHBondContact O-N 3.36Å; F13-H15 PolarHBondContact O-N 3.31Å; H15-H18 PolarHBondContact O-N 3.33Å; H15-K19 WeakPolarHBondContact O-CB 3.49Å; H15-K19 PolarHBondContact O-N 3.48Å; H15-A113 PolarHBondContact ND1-O 2.96Å; H15-A113 VanDerWaalsContact ND1-O 3.09Å; H15-L117 WeakPolarHBondContact O-CD1 3.46Å
16A66.1Low60.9Low46 Ų4664 Ų6438%0.3835%0.348SS..Hα-helixtrans-63.4-43.5179.200000112.3K12 F13 K19 L20K12-A16 VanDerWaalsContact O-CB 3.3Å; K12-A16 WeakPolarHBondContact O-CB 3.47Å; K12-A16 PolarHBondContact O-N 3.38Å; F13-A16 PolarHBondContact O-N 3.24Å; A16-K19 PolarHBondContact O-N 2.94Å; A16-L20 WeakPolarHBondContact O-CB 3.39Å; A16-L20 WeakPolarHBondContact O-CG 3.3Å; A16-L20 PolarHBondContact O-N 3.01Å
17L62.5Low60.1Low23 Ų2370 Ų7012%0.1238%0.375CS..Hα-helixtrans-70.5-37178.8175.466000111.5F13 L20 L21 I37F13-L17 HydrophobicContact CE1-CD2 3.8Å; F13-L17 HydrophobicContact CZ-CD2 3.97Å; F13-L17 VanDerWaalsContact O-CB 3.26Å; F13-L17 WeakPolarHBondContact O-CB 3.35Å; F13-L17 PolarHBondContact O-N 3.4Å; L17-L20 PolarHBondContact O-N 3.15Å; L17-L21 HydrophobicContact CD1-CG 4.45Å; L17-L21 HydrophobicContact CG-CD1 4.4Å; L17-L21 VanDerWaalsContact O-CG 3.26Å; L17-L21 WeakPolarHBondContact O-CG 3.28Å; L17-L21 PolarHBondContact O-N 3.46Å; L17-I37 HydrophobicContact CB-CD1 3.45Å; L17-I37 VanDerWaalsContact CB-CD1 3.45Å; L17-I37 HydrophobicContact CD2-CB 4.43Å; L17-I37 HydrophobicContact CD2-CD1 3.3Å; L17-I37 HydrophobicContact CD2-CG1 3.69Å; L17-I37 HydrophobicContact CG-CD1 3.41Å; L17-I37 VanDerWaalsContact CG-CD1 3.41Å; L17-I37 HydrophobicContact CG-CG1 4.31Å
18H69.9Low59.2Low13 Ų1372.8 Ų72.86%0.0639%0.391CS..Hα-helixtrans-61.6-44.9170.8-174.8176.2000110.8C14 H15 L20 L21 R22 L39 L117 D121C14-H18 WeakPolarHBondContact O-CB 3.48Å; C14-H18 PolarHBondContact O-N 2.86Å; H15-H18 PolarHBondContact O-N 3.33Å; H18-L20 PolarHBondContact O-N 2.86Å; H18-L21 PolarHBondContact O-N 3.49Å; H18-R22 WeakPolarHBondContact O-CB 3.44Å; H18-R22 PolarHBondContact O-N 3.19Å; H18-L39 WeakPolarHBondContact CD2-CD1 3.49Å; H18-L117 HydrophobicContact CB-CD1 3.63Å; H18-L117 WeakPolarHBondContact CE1-CB 3.47Å; H18-L117 WeakPolarHBondContact ND1-CB 3.42Å; H18-D121 IonicContact CD2-OD2 2.69Å; H18-D121 IonicContact CE1-OD2 2.81Å; H18-D121 PolarHBondContact CE1-OD2 3.03Å; H18-D121 VanDerWaalsContact CE1-OD2 3.27Å; H18-D121 IonicContact NE2-OD2 3.82Å; H18-D121 PolarHBondContact NE2-OD2 3.38Å
19K68Low58Low108 Ų10874.8 Ų74.847%0.4742%0.415SS..Hα-helixtrans-60-45.2175.1-169.1178.3-179.9-176.40112.2H15 A16 L21 R22 D23 L117H15-K19 WeakPolarHBondContact O-CB 3.49Å; H15-K19 PolarHBondContact O-N 3.48Å; A16-K19 PolarHBondContact O-N 2.94Å; K19-L21 VanDerWaalsContact C-N 3.35Å; K19-L21 PolarHBondContact O-N 3.25Å; K19-R22 WeakPolarHBondContact O-CB 3.46Å; K19-R22 PolarHBondContact O-N 3.2Å; K19-R22 VanDerWaalsContact O-N 3.13Å; K19-D23 WeakPolarHBondContact CG-OD2 3.22Å; K19-D23 PolarHBondContact O-N 3.21Å; K19-L117 HydrophobicContact CB-CD1 4.15Å
20L63.3Low56.8Low123 Ų12378.1 Ų78.164%0.64444%0.436SS*.Hα-helixtrans-59.8-41.8176-81.2164.6000112.8A16 L17 H18 R22 G24A16-L20 WeakPolarHBondContact O-CB 3.39Å; A16-L20 WeakPolarHBondContact O-CG 3.3Å; A16-L20 PolarHBondContact O-N 3.01Å; L17-L20 PolarHBondContact O-N 3.15Å; H18-L20 PolarHBondContact O-N 2.86Å; L20-R22 VanDerWaalsContact C-N 3.3Å; L20-R22 PolarHBondContact O-N 3.36Å; L20-G24 PolarHBondContact O-N 3.31Å; L20-G24 VanDerWaalsContact O-N 3.09Å
21L61.7Low55.5Low81 Ų8185.4 Ų85.442%0.42447%0.467SS..Hα-helixtrans-66.5-33.3176.2-70.8170.5000112.2L17 H18 K19L17-L21 HydrophobicContact CD1-CG 4.45Å; L17-L21 HydrophobicContact CG-CD1 4.4Å; L17-L21 VanDerWaalsContact O-CG 3.26Å; L17-L21 WeakPolarHBondContact O-CG 3.28Å; L17-L21 PolarHBondContact O-N 3.46Å; H18-L21 PolarHBondContact O-N 3.49Å; K19-L21 VanDerWaalsContact C-N 3.35Å; K19-L21 PolarHBondContact O-N 3.25Å
22R64.3Low53.7Low35 Ų3590.3 Ų90.313%0.13250%0.496CS..Hα-helixtrans-71.5-43.5177.4-169-164-178.910712.9112.3H18 K19 L20 G49 N50 D121H18-R22 WeakPolarHBondContact O-CB 3.44Å; H18-R22 PolarHBondContact O-N 3.19Å; K19-R22 WeakPolarHBondContact O-CB 3.46Å; K19-R22 PolarHBondContact O-N 3.2Å; K19-R22 VanDerWaalsContact O-N 3.13Å; L20-R22 VanDerWaalsContact C-N 3.3Å; L20-R22 PolarHBondContact O-N 3.36Å; R22-G49 CarbonylContact O-C 3.33Å; R22-N50 HydrophobicContact CG-CB 4.28Å; R22-N50 PolarHBondContact O-N 3.25Å; R22-D121 IonicContact CZ-OD1 3.89Å; R22-D121 IonicContact NH1-OD1 3.92Å; R22-D121 PolarHBondContact NH1-OD1 3.39Å; R22-D121 IonicContact NH2-OD1 2.88Å
23D63.3Low52.2Low106 Ų10688.9 Ų88.957%0.56749%0.493SS*.Hα-helixtrans-83.8-16-173.7-64.8-17.4000112.9K19K19-D23 WeakPolarHBondContact CG-OD2 3.22Å; K19-D23 PolarHBondContact O-N 3.21Å
24G53.4Low50.9Low50 Ų5090.1 Ų90.152%0.51551%0.507SS..  trans48.281.4155.200000117.7L20L20-G24 PolarHBondContact O-N 3.31Å; L20-G24 VanDerWaalsContact O-N 3.09Å
25E40.9Very low49.6Very low152 Ų15293.4 Ų93.471%0.7153%0.53SS*.  trans-68.1130.4151.2-94.9-92.8165.700109H27E25-H27 PolarHBondContact O-N 3.41Å
26S43.8Very low48.3Very low107 Ų10793.5 Ų93.575%0.74853%0.534SS*.THydrogen-bonded Turntrans-62.44.2-171.337.80000116.3
27H39.5Very low47.2Very low164 Ų16492.7 Ų92.776%0.75952%0.523SS*.THydrogen-bonded Turntrans-121.76.3-168.5-71.6-60000116.7E25 G29E25-H27 PolarHBondContact O-N 3.41Å; H27-G29 PolarHBondContact O-N 2.86Å; H27-G29 VanDerWaalsContact O-N 3.14Å
28V38.3Very low46.4Very low94 Ų9496.2 Ų96.257%0.5754%0.538SS*.  trans-82.799.3179.2-167.80000110.8V30 L33V28-V30 PolarHBondContact O-N 3.13Å; V28-L33 HydrophobicContact CG1-CD1 4.43Å
29G34.9Very low45.2Very low58 Ų5898 Ų9860%0.59855%0.547SS*.  trans-54.1118179.500000113.7H27 Q31H27-G29 PolarHBondContact O-N 2.86Å; H27-G29 VanDerWaalsContact O-N 3.14Å; G29-Q31 PolarHBondContact O-N 3.04Å
30V35.7Very low43.9Very low135 Ų13596.4 Ų96.482%0.81855%0.547SS*.THydrogen-bonded Turntrans-68.1-1.1-171-172.80000114.3V28V28-V30 PolarHBondContact O-N 3.13Å
31Q33.8Very low42.9Very low185 Ų18596.9 Ų96.986%0.86454%0.544SS*.THydrogen-bonded Turntrans-92.5-8.2-168-79.3177.9-25.200116.5G29G29-Q31 PolarHBondContact O-N 3.04Å
32L29.4Very low42.2Very low159 Ų15995.9 Ų95.983%0.83254%0.536SS*.SBendtrans-116.5-0.5-172.6-97.8149.6000116.3
33L33.6Very low41.4Very low77 Ų77101.1 Ų101.140%0.40356%0.562SS.*  trans-118.929.8-167.4-80.6156.2000114.7M1 V28 S35M1-L33 HydrophobicContact CE-CD2 4.38Å; V28-L33 HydrophobicContact CG1-CD1 4.43Å; L33-S35 VanDerWaalsContact C-N 3.34Å; L33-S35 PolarHBondContact O-N 2.99Å
34T36.5Very low40.9Very low98 Ų9897.7 Ų97.760%0.60154%0.544SS*.THydrogen-bonded Turntrans-79.11.8-169.221.50000116.7T40T34-T40 HydrophobicContact CG2-CG2 3.95Å
35S35.8Very low41.1Very low99 Ų99101.4 Ų101.469%0.69256%0.559SS**THydrogen-bonded Turntrans-119.6-7.5-163430000117.3L33L33-S35 VanDerWaalsContact C-N 3.34Å; L33-S35 PolarHBondContact O-N 2.99Å
36V40.2Very low42.2Very low51 Ų5198.7 Ų98.731%0.30955%0.546SS..SBendtrans-129.2-16.4-169.5-176.10000115.1M1 L3 F13M1-V36 HydrophobicContact CE-CB 4.12Å; M1-V36 HydrophobicContact CE-CG2 3.67Å; M1-V36 HydrophobicContact CG-CG2 4.28Å; M1-V36 HydrophobicContact SD-CB 4.33Å; M1-V36 HydrophobicContact SD-CG1 4.37Å; M1-V36 HydrophobicContact SD-CG2 3.75Å; L3-V36 HydrophobicContact CD1-CG1 4.05Å; F13-V36 HydrophobicContact CD1-CG1 4.36Å; F13-V36 HydrophobicContact CE1-CG1 4.08Å
37I42.3Very low43.1Very low28 Ų2894.5 Ų94.514%0.14452%0.515CS..  trans-132.9125.4175.3-60.9-166.6000110.1C14 L17 L39C14-I37 HydrophobicContact CB-CD1 4.26Å; C14-I37 VanDerWaalsContact O-CD1 3.25Å; C14-I37 WeakPolarHBondContact O-CD1 3.31Å; L17-I37 HydrophobicContact CB-CD1 3.45Å; L17-I37 VanDerWaalsContact CB-CD1 3.45Å; L17-I37 HydrophobicContact CD2-CB 4.43Å; L17-I37 HydrophobicContact CD2-CD1 3.3Å; L17-I37 HydrophobicContact CD2-CG1 3.69Å; L17-I37 HydrophobicContact CG-CD1 3.41Å; L17-I37 VanDerWaalsContact CG-CD1 3.41Å; L17-I37 HydrophobicContact CG-CG1 4.31Å; I37-L39 HydrophobicContact CG2-CB 4.35Å; I37-L39 HydrophobicContact CG2-CD1 4.43Å; I37-L39 HydrophobicContact CG2-CG 4.19Å; I37-L39 PolarHBondContact O-N 3.26Å
38F46.2Very low44.3Very low97 Ų9788.6 Ų88.643%0.42549%0.492SS..SBendtrans-69.766.1173.3-105.3-84.2000111.4F241F38-F241 AromaticContact CD1-CE1 3.73Å; F38-F241 HydrophobicContact CD1-CE1 3.73Å; F38-F241 AromaticContact CD1-CZ 3.65Å; F38-F241 HydrophobicContact CD1-CZ 3.65Å; F38-F241 HydrophobicContact CD2-CD1 4.08Å; F38-F241 HydrophobicContact CD2-CD2 4.48Å; F38-F241 AromaticContact CD2-CE1 3.61Å; F38-F241 HydrophobicContact CD2-CE1 3.61Å; F38-F241 AromaticContact CD2-CE2 3.95Å; F38-F241 HydrophobicContact CD2-CE2 3.95Å; F38-F241 AromaticContact CD2-CZ 3.47Å; F38-F241 HydrophobicContact CD2-CZ 3.47Å; F38-F241 VanDerWaalsContact CD2-CZ 3.47Å; F38-F241 HydrophobicContact CE1-CD1 4.09Å; F38-F241 AromaticContact CE1-CE1 3.17Å; F38-F241 HydrophobicContact CE1-CE1 3.17Å; F38-F241 AromaticContact CE1-CZ 3.63Å; F38-F241 HydrophobicContact CE1-CZ 3.63Å; F38-F241 AromaticContact CE2-CD1 3.22Å; F38-F241 HydrophobicContact CE2-CD1 3.22Å; F38-F241 HydrophobicContact CE2-CD2 4.31Å; F38-F241 AromaticContact CE2-CE1 3.02Å; F38-F241 HydrophobicContact CE2-CE1 3.02Å; F38-F241 HydrophobicContact CE2-CE2 4.08Å; F38-F241 AromaticContact CE2-CG 3.91Å; F38-F241 HydrophobicContact CE2-CG 3.91Å; F38-F241 AromaticContact CE2-CZ 3.44Å; F38-F241 HydrophobicContact CE2-CZ 3.44Å; F38-F241 VanDerWaalsContact CE2-CZ 3.44Å; F38-F241 AromaticContact CG-CE1 3.95Å; F38-F241 HydrophobicContact CG-CE1 3.95Å; F38-F241 HydrophobicContact CG-CE2 4.35Å; F38-F241 AromaticContact CG-CZ 3.61Å; F38-F241 HydrophobicContact CG-CZ 3.61Å; F38-F241 AromaticContact CZ-CD1 3.27Å; F38-F241 HydrophobicContact CZ-CD1 3.27Å; F38-F241 AromaticContact CZ-CE1 2.82Å; F38-F241 HydrophobicContact CZ-CE1 2.82Å; F38-F241 HydrophobicContact CZ-CG 4.36Å; F38-F241 AromaticContact CZ-CZ 3.57Å; F38-F241 HydrophobicContact CZ-CZ 3.57Å
39L44.3Very low45.3Very low50 Ų5086.3 Ų86.326%0.26249%0.487SS..  trans-131.726.1163.3-73-178.6000111.6H18 I37 F41 Y79H18-L39 WeakPolarHBondContact CD2-CD1 3.49Å; I37-L39 HydrophobicContact CG2-CB 4.35Å; I37-L39 HydrophobicContact CG2-CD1 4.43Å; I37-L39 HydrophobicContact CG2-CG 4.19Å; I37-L39 PolarHBondContact O-N 3.26Å; L39-F41 VanDerWaalsContact C-N 3.32Å; L39-F41 PolarHBondContact O-N 3.13Å; L39-Y79 HydrophobicContact CD2-CE1 4.06Å; L39-Y79 HydrophobicContact CD2-CE2 3.64Å; L39-Y79 WeakPolarHBondContact CD2-OH 3.21Å
40T39.9Very low46.8Very low75 Ų7586.6 Ų86.646%0.4648%0.475SS..  trans-74.592.316042.40000107.6T34T34-T40 HydrophobicContact CG2-CG2 3.95Å
41F43.8Very low48.5Very low133 Ų13380.5 Ų80.558%0.58344%0.437SS*.  trans164.484.6139.2-106-103.8000110.2L39 Q43L39-F41 VanDerWaalsContact C-N 3.32Å; L39-F41 PolarHBondContact O-N 3.13Å; F41-Q43 HydrophobicContact CD1-CG 3.95Å; F41-Q43 HydrophobicContact CE1-CG 3.63Å; F41-Q43 HydrophobicContact CZ-CG 4.27Å
42F45.9Very low50.2Low61 Ų6175.5 Ų75.527%0.26842%0.419SS..  trans-115.4101.2132.9-112.6-68.4000105.3N44 I47 M51 Y79F42-N44 HydrophobicContact CD1-CB 3.92Å; F42-N44 HydrophobicContact CE1-CB 4.45Å; F42-N44 PolarHBondContact O-N 3.44Å; F42-I47 HydrophobicContact CD1-CB 4.08Å; F42-I47 HydrophobicContact CD1-CD1 3.75Å; F42-I47 HydrophobicContact CD1-CG1 4.28Å; F42-I47 HydrophobicContact CD1-CG2 4.47Å; F42-I47 HydrophobicContact CD2-CG2 4.4Å; F42-I47 HydrophobicContact CE1-CB 4.14Å; F42-I47 HydrophobicContact CE1-CD1 3.06Å; F42-I47 HydrophobicContact CE1-CG1 4.03Å; F42-I47 HydrophobicContact CE1-CG2 4.28Å; F42-I47 HydrophobicContact CE2-CG2 4.12Å; F42-I47 HydrophobicContact CG-CB 4.42Å; F42-I47 HydrophobicContact CZ-CB 4.44Å; F42-I47 HydrophobicContact CZ-CD1 3.54Å; F42-I47 HydrophobicContact CZ-CG2 4.06Å; F42-M51 HydrophobicContact CE2-SD 4.13Å; F42-Y79 HydrophobicContact CD2-CD2 4.34Å; F42-Y79 HydrophobicContact CD2-CE2 4.4Å; F42-Y79 HydrophobicContact CE2-CD2 4.35Å
43Q47Very low52.3Low144 Ų14468.8 Ų68.867%0.67338%0.384SS*.  trans-68.8-6.7169.8-90.9-174.1-33.500111.5F41 P45F41-Q43 HydrophobicContact CD1-CG 3.95Å; F41-Q43 HydrophobicContact CE1-CG 3.63Å; F41-Q43 HydrophobicContact CZ-CG 4.27Å; Q43-P45 WeakPolarHBondContact O-CD 3.45Å
44N53.3Low54.3Low35 Ų3568.5 Ų68.519%0.18739%0.386CS..  trans-100.1101.4-177.5-154.4-19.6000111.1F42 Q46 I47F42-N44 HydrophobicContact CD1-CB 3.92Å; F42-N44 HydrophobicContact CE1-CB 4.45Å; F42-N44 PolarHBondContact O-N 3.44Å; N44-Q46 PolarHBondContact O-N 3.21Å; N44-Q46 PolarHBondContact OD1-N 3.27Å; N44-I47 HydrophobicContact CB-CD1 4.48Å; N44-I47 PolarHBondContact O-N 3.38Å
45P58.9Low56.2Low127 Ų12770.5 Ų70.583%0.82539%0.388SS*.THydrogen-bonded Turntrans-64.6-4.9179.525.4-33.2000114Q43Q43-P45 WeakPolarHBondContact O-CD 3.45Å
46Q62.5Low58.2Low95 Ų9573.6 Ų73.644%0.44439%0.392SS..THydrogen-bonded Turntrans-83.9-7.5179.6-61.6-168.1-3500114.2N44 I61N44-Q46 PolarHBondContact O-N 3.21Å; N44-Q46 PolarHBondContact OD1-N 3.27Å; Q46-I61 HydrophobicContact CB-CD1 4.12Å; Q46-I61 HydrophobicContact CB-CG1 3.83Å; Q46-I61 VanDerWaalsContact OE1-CG1 3.3Å
47I64.3Low60Low19 Ų1974.6 Ų74.610%0.09739%0.393CS..SBendtrans-102.8122.9-176.2-62.1-176.9000109.8F42 N44 L53 I61 L72F42-I47 HydrophobicContact CD1-CB 4.08Å; F42-I47 HydrophobicContact CD1-CD1 3.75Å; F42-I47 HydrophobicContact CD1-CG1 4.28Å; F42-I47 HydrophobicContact CD1-CG2 4.47Å; F42-I47 HydrophobicContact CD2-CG2 4.4Å; F42-I47 HydrophobicContact CE1-CB 4.14Å; F42-I47 HydrophobicContact CE1-CD1 3.06Å; F42-I47 HydrophobicContact CE1-CG1 4.03Å; F42-I47 HydrophobicContact CE1-CG2 4.28Å; F42-I47 HydrophobicContact CE2-CG2 4.12Å; F42-I47 HydrophobicContact CG-CB 4.42Å; F42-I47 HydrophobicContact CZ-CB 4.44Å; F42-I47 HydrophobicContact CZ-CD1 3.54Å; F42-I47 HydrophobicContact CZ-CG2 4.06Å; N44-I47 HydrophobicContact CB-CD1 4.48Å; N44-I47 PolarHBondContact O-N 3.38Å; I47-L53 HydrophobicContact CD1-CD1 4.18Å; I47-L53 HydrophobicContact CG1-CD1 4.3Å; I47-L53 HydrophobicContact CG1-CD2 4.09Å; I47-L53 HydrophobicContact CG2-CD1 4.28Å; I47-L53 HydrophobicContact CG2-CD2 4.38Å; I47-L53 HydrophobicContact CG2-CG 4.4Å; I47-I61 HydrophobicContact CD1-CD1 4.08Å; I47-I61 HydrophobicContact CG1-CD1 3.67Å; I47-L72 HydrophobicContact CD1-CD1 3.57Å
48P64.6Low61.8Low41 Ų4173.4 Ų73.427%0.26639%0.387SS..  trans-67.8151.5-177.227.1-33.1000111.7N50 M51 V52P48-N50 WeakPolarHBondContact CB-OD1 3.29Å; P48-N50 WeakPolarHBondContact CG-OD1 3.43Å; P48-N50 PolarHBondContact O-N 3.24Å; P48-M51 WeakPolarHBondContact O-CA 3.33Å; P48-M51 PolarHBondContact O-N 3.27Å; P48-V52 WeakPolarHBondContact CG-O 3.43Å
49G59.4Low63.4Low45 Ų4573.5 Ų73.546%0.46439%0.389SS..THydrogen-bonded Turntrans-60.3-26.3-177.100000114.6R22 M51R22-G49 CarbonylContact O-C 3.33Å; G49-M51 PolarHBondContact O-N 2.88Å
50N66.1Low65.1Low65 Ų6574 Ų7435%0.34840%0.397SS..THydrogen-bonded Turntrans-79.1-4.1174.269.8-0.3000114R22 P48 V52R22-N50 HydrophobicContact CG-CB 4.28Å; R22-N50 PolarHBondContact O-N 3.25Å; P48-N50 WeakPolarHBondContact CB-OD1 3.29Å; P48-N50 WeakPolarHBondContact CG-OD1 3.43Å; P48-N50 PolarHBondContact O-N 3.24Å; N50-V52 PolarHBondContact O-N 3.49Å; N50-V52 VanDerWaalsContact O-N 3.11Å; N50-V52 PolarHBondContact OD1-N 3.13Å; N50-V52 VanDerWaalsContact OD1-N 3.12Å
51M70.1Confident66.9Low6 Ų670.9 Ų70.93%0.0338%0.377CS..  trans57.417.1-179.3-59-159-67.800115.8F42 P48 G49 L53 Y79 D121 C124 L125F42-M51 HydrophobicContact CE2-SD 4.13Å; P48-M51 WeakPolarHBondContact O-CA 3.33Å; P48-M51 PolarHBondContact O-N 3.27Å; G49-M51 PolarHBondContact O-N 2.88Å; M51-L53 PolarHBondContact O-N 2.89Å; M51-Y79 HydrophobicContact CE-CD1 4.46Å; M51-Y79 HydrophobicContact CE-CE1 3.62Å; M51-Y79 WeakPolarHBondContact CE-OH 3.41Å; M51-Y79 HydrophobicContact SD-CE1 3.94Å; M51-Y79 HydrophobicContact SD-CE2 4.06Å; M51-D121 HydrophobicContact CE-CB 3.31Å; M51-D121 VanDerWaalsContact CE-CG 3.42Å; M51-C124 HydrophobicContact CB-CB 4.23Å; M51-L125 HydrophobicContact CE-CD1 3.67Å; M51-L125 HydrophobicContact CE-CD2 4.2Å; M51-L125 HydrophobicContact CE-CG 3.73Å; M51-L125 HydrophobicContact SD-CD1 4.16Å; M51-L125 HydrophobicContact SD-CD2 3.69Å; M51-L125 HydrophobicContact SD-CG 3.92Å
52V71.1Confident68.3Low81 Ų8164.5 Ų64.549%0.49135%0.349SS..  trans-88.4108.5173.1-179.20000108.1P48 N50P48-V52 WeakPolarHBondContact CG-O 3.43Å; N50-V52 PolarHBondContact O-N 3.49Å; N50-V52 VanDerWaalsContact O-N 3.11Å; N50-V52 PolarHBondContact OD1-N 3.13Å; N50-V52 VanDerWaalsContact OD1-N 3.12Å
53L73.3Confident69.9Low17 Ų1768 Ų689%0.08937%0.366CS..  trans-98.4122.3176.9-74.9160.2000110.2I47 M51 Q57 L58 I61 T128I47-L53 HydrophobicContact CD1-CD1 4.18Å; I47-L53 HydrophobicContact CG1-CD1 4.3Å; I47-L53 HydrophobicContact CG1-CD2 4.09Å; I47-L53 HydrophobicContact CG2-CD1 4.28Å; I47-L53 HydrophobicContact CG2-CD2 4.38Å; I47-L53 HydrophobicContact CG2-CG 4.4Å; M51-L53 PolarHBondContact O-N 2.89Å; L53-Q57 HydrophobicContact CD2-CB 4Å; L53-L58 HydrophobicContact CD1-CD1 4.25Å; L53-I61 HydrophobicContact CD2-CD1 3.81Å; L53-T128 HydrophobicContact CD1-CG2 3.79Å
54T75.7Confident71Confident72 Ų7270.3 Ų70.344%0.44237%0.374SS..  trans-67157.3166.6660000109.9E56 Q57 L58T54-E56 PolarHBondContact O-N 3.15Å; T54-Q57 VanDerWaalsContact N-OE1 3.14Å; T54-Q57 PolarHBondContact O-N 3.45Å; T54-Q57 VanDerWaalsContact OG1-CG 3.26Å; T54-Q57 WeakPolarHBondContact OG1-CG 3.45Å; T54-Q57 PolarHBondContact OG1-N 3.02Å; T54-Q57 PolarHBondContact OG1-OE1 2.93Å; T54-L58 WeakPolarHBondContact O-CB 3.2Å; T54-L58 PolarHBondContact O-N 3.27Å
55E76.2Confident72.2Confident139 Ų13971.7 Ų71.765%0.6538%0.381SS*.Hα-helixtrans-59.8-37.5179.9-164.7165.5-158.300111.7L58 E59E55-L58 PolarHBondContact O-N 3.48Å; E55-E59 WeakPolarHBondContact O-CG 3.29Å; E55-E59 PolarHBondContact O-N 2.84Å
56E76.9Confident73.1Confident164 Ų16470.3 Ų70.377%0.76637%0.37SS*.Hα-helixtrans-62.7-45.1174.4-63.6-179.7173.300113T54 L58 E59 S60T54-E56 PolarHBondContact O-N 3.15Å; E56-L58 VanDerWaalsContact C-N 3.35Å; E56-E59 PolarHBondContact O-N 3.36Å; E56-S60 WeakPolarHBondContact O-CB 3.45Å; E56-S60 PolarHBondContact O-N 2.97Å
57Q78.8Confident73.8Confident72 Ų7270.7 Ų70.734%0.33638%0.375SS..Hα-helixtrans-63.8-43.5176.7-75.7172.9-2900110.8L53 T54 E59 S60 I61L53-Q57 HydrophobicContact CD2-CB 4Å; T54-Q57 VanDerWaalsContact N-OE1 3.14Å; T54-Q57 PolarHBondContact O-N 3.45Å; T54-Q57 VanDerWaalsContact OG1-CG 3.26Å; T54-Q57 WeakPolarHBondContact OG1-CG 3.45Å; T54-Q57 PolarHBondContact OG1-N 3.02Å; T54-Q57 PolarHBondContact OG1-OE1 2.93Å; Q57-E59 VanDerWaalsContact C-N 3.34Å; Q57-E59 PolarHBondContact O-N 2.76Å; Q57-S60 PolarHBondContact O-N 2.75Å; Q57-S60 PolarHBondContact O-OG 3.41Å; Q57-I61 WeakPolarHBondContact O-CD1 3.15Å; Q57-I61 VanDerWaalsContact O-CG1 3.29Å; Q57-I61 WeakPolarHBondContact O-CG1 3.42Å; Q57-I61 PolarHBondContact O-N 3.41Å
58L80.1Confident74.6Confident4 Ų471.8 Ų71.82%0.02138%0.381CS..Hα-helixtrans-62.2-42.2179-172.663.4000111.3L53 T54 E55 E56 I61 G62 W69 L72 T128 K131 I132L53-L58 HydrophobicContact CD1-CD1 4.25Å; T54-L58 WeakPolarHBondContact O-CB 3.2Å; T54-L58 PolarHBondContact O-N 3.27Å; E55-L58 PolarHBondContact O-N 3.48Å; E56-L58 VanDerWaalsContact C-N 3.35Å; L58-I61 PolarHBondContact O-N 2.84Å; L58-G62 PolarHBondContact O-N 3.27Å; L58-G62 VanDerWaalsContact O-N 3.08Å; L58-W69 HydrophobicContact CD1-CH2 4.49Å; L58-W69 HydrophobicContact CD1-CZ3 3.88Å; L58-W69 HydrophobicContact CG-CH2 3.98Å; L58-W69 HydrophobicContact CG-CZ3 3.81Å; L58-W69 WeakPolarHBondContact O-CH2 3.36Å; L58-L72 HydrophobicContact CD1-CD2 3.87Å; L58-T128 HydrophobicContact CD1-CG2 4.16Å; L58-K131 HydrophobicContact CD2-CB 3.99Å; L58-K131 HydrophobicContact CD2-CD 4.17Å; L58-I132 HydrophobicContact CD1-CG1 4.25Å
59E80.4Confident75.3Confident99 Ų9970.7 Ų70.746%0.46337%0.372SS..Hα-helixtrans-66.3-36.9174.1-73.1-167.5172.400113.2E55 E56 Q57 I61 G62 Q63 R135E55-E59 WeakPolarHBondContact O-CG 3.29Å; E55-E59 PolarHBondContact O-N 2.84Å; E56-E59 PolarHBondContact O-N 3.36Å; Q57-E59 VanDerWaalsContact C-N 3.34Å; Q57-E59 PolarHBondContact O-N 2.76Å; E59-I61 VanDerWaalsContact C-N 3.31Å; E59-I61 PolarHBondContact O-N 3.47Å; E59-G62 PolarHBondContact O-N 3.02Å; E59-Q63 PolarHBondContact O-N 3.21Å; E59-R135 IonicContact OE1-NH2 3.11Å; E59-R135 PolarHBondContact OE1-NH2 3.24Å
60S80Confident76.3Confident61 Ų6173.5 Ų73.543%0.42737%0.371SS..Hα-helixtrans-63.7-35.9177.182.30000112.6E56 Q57 Q63E56-S60 WeakPolarHBondContact O-CB 3.45Å; E56-S60 PolarHBondContact O-N 2.97Å; Q57-S60 PolarHBondContact O-N 2.75Å; Q57-S60 PolarHBondContact O-OG 3.41Å; S60-Q63 WeakPolarHBondContact O-CG 3.31Å
61I76.8Confident77.1Confident8 Ų876.1 Ų76.14%0.04138%0.381CS..Hα-helixtrans-75.2-44.7178.2-63.7160.9000110.4Q46 I47 L53 Q57 L58 E59 Q63 L72Q46-I61 HydrophobicContact CB-CD1 4.12Å; Q46-I61 HydrophobicContact CB-CG1 3.83Å; Q46-I61 VanDerWaalsContact OE1-CG1 3.3Å; I47-I61 HydrophobicContact CD1-CD1 4.08Å; I47-I61 HydrophobicContact CG1-CD1 3.67Å; L53-I61 HydrophobicContact CD2-CD1 3.81Å; Q57-I61 WeakPolarHBondContact O-CD1 3.15Å; Q57-I61 VanDerWaalsContact O-CG1 3.29Å; Q57-I61 WeakPolarHBondContact O-CG1 3.42Å; Q57-I61 PolarHBondContact O-N 3.41Å; L58-I61 PolarHBondContact O-N 2.84Å; E59-I61 VanDerWaalsContact C-N 3.31Å; E59-I61 PolarHBondContact O-N 3.47Å; I61-Q63 VanDerWaalsContact C-N 3.28Å; I61-Q63 PolarHBondContact O-N 3.13Å; I61-L72 HydrophobicContact CG2-CD1 4.29Å; I61-L72 HydrophobicContact CG2-CD2 3.95Å
62G72.9Confident77.6Confident0 Ų076 Ų760%038%0.381CS..Hα-helixtrans-68.1-25.7-179.800000113.7L58 E59 K64 D65 N68L58-G62 PolarHBondContact O-N 3.27Å; L58-G62 VanDerWaalsContact O-N 3.08Å; E59-G62 PolarHBondContact O-N 3.02Å; G62-K64 PolarHBondContact O-N 3.11Å; G62-D65 PolarHBondContact O-N 2.88Å; G62-N68 WeakPolarHBondContact O-CB 3.4Å
63Q79.2Confident78.2Confident133 Ų13372.1 Ų72.162%0.62136%0.357SS*.THydrogen-bonded Turntrans4824.4179.9-59.3-176.4-6.500114.6E59 S60 I61 D65E59-Q63 PolarHBondContact O-N 3.21Å; S60-Q63 WeakPolarHBondContact O-CG 3.31Å; I61-Q63 VanDerWaalsContact C-N 3.28Å; I61-Q63 PolarHBondContact O-N 3.13Å; Q63-D65 PolarHBondContact O-N 3.31Å; Q63-D65 VanDerWaalsContact O-N 3.08Å
64K70.9Confident78.6Confident194 Ų19473.7 Ų73.784%0.84337%0.368SS*.THydrogen-bonded Turntrans55.215.1-169.9-57.3-180178.6177.70114.8G62G62-K64 PolarHBondContact O-N 3.11Å
65D77.6Confident78.8Confident64 Ų6472.8 Ų72.834%0.34236%0.358SS..  trans-93.6125.9174.2-171.7-7.6000110.2G62 Q63 N67 N68 W69G62-D65 PolarHBondContact O-N 2.88Å; Q63-D65 PolarHBondContact O-N 3.31Å; Q63-D65 VanDerWaalsContact O-N 3.08Å; D65-N67 PolarHBondContact O-N 3.11Å; D65-N67 PolarHBondContact OD1-N 3.42Å; D65-N67 PolarHBondContact OD1-ND2 3.08Å; D65-N68 HydrophobicContact CB-CB 4.23Å; D65-N68 PolarHBondContact O-N 2.92Å; D65-W69 PolarHBondContact O-N 3.44Å; D65-W69 VanDerWaalsContact O-N 3.12Å
66V77.4Confident79Confident97 Ų9766.2 Ų66.259%0.58833%0.328SS*.Hα-helixtrans-58.5-33.1176.2-179.60000111.3F70 L136V66-F70 VanDerWaalsContact O-CB 3.31Å; V66-F70 WeakPolarHBondContact O-CB 3.5Å; V66-F70 PolarHBondContact O-N 3.33Å; V66-L136 HydrophobicContact CG1-CD2 3.91Å
67N77.9Confident79.3Confident104 Ų10459.4 Ų59.456%0.55630%0.297SS*.Hα-helixtrans-67.5-42.9178.2-60.3-51.4000111.5D65 F70 E71D65-N67 PolarHBondContact O-N 3.11Å; D65-N67 PolarHBondContact OD1-N 3.42Å; D65-N67 PolarHBondContact OD1-ND2 3.08Å; N67-F70 WeakPolarHBondContact O-CB 3.48Å; N67-F70 PolarHBondContact O-N 3.11Å; N67-F70 VanDerWaalsContact O-N 3.17Å; N67-E71 WeakPolarHBondContact O-CG 3.36Å; N67-E71 PolarHBondContact O-N 2.99Å
68N80.7Confident79.4Confident41 Ų4158.1 Ų58.122%0.21929%0.292CS..Hα-helixtrans-65.9-41.6178.5-66.4-3.4000111.2G62 D65 F70 E71 L72G62-N68 WeakPolarHBondContact O-CB 3.4Å; D65-N68 HydrophobicContact CB-CB 4.23Å; D65-N68 PolarHBondContact O-N 2.92Å; N68-F70 VanDerWaalsContact C-N 3.3Å; N68-F70 PolarHBondContact O-N 3.1Å; N68-E71 PolarHBondContact O-N 3.4Å; N68-L72 VanDerWaalsContact O-CB 3.27Å; N68-L72 WeakPolarHBondContact O-CB 3.33Å; N68-L72 PolarHBondContact O-N 3.2Å
69W80.9Confident79.3Confident19 Ų1959.1 Ų59.17%0.07230%0.296CS..Hα-helixtrans-60.8-40.8172.1-69.4117.6000112.1L58 D65 L72 A73 I132 R135 L136L58-W69 HydrophobicContact CD1-CH2 4.49Å; L58-W69 HydrophobicContact CD1-CZ3 3.88Å; L58-W69 HydrophobicContact CG-CH2 3.98Å; L58-W69 HydrophobicContact CG-CZ3 3.81Å; L58-W69 WeakPolarHBondContact O-CH2 3.36Å; D65-W69 PolarHBondContact O-N 3.44Å; D65-W69 VanDerWaalsContact O-N 3.12Å; W69-L72 HydrophobicContact CE3-CD2 4.41Å; W69-L72 HydrophobicContact CZ3-CD2 4.35Å; W69-A73 WeakPolarHBondContact O-CB 3.47Å; W69-A73 PolarHBondContact O-N 3.49Å; W69-I132 HydrophobicContact CB-CG2 4.37Å; W69-I132 HydrophobicContact CE3-CB 4.48Å; W69-I132 HydrophobicContact CE3-CG1 4.03Å; W69-I132 HydrophobicContact CE3-CG2 4.1Å; W69-I132 HydrophobicContact CZ3-CG1 4.16Å; W69-I132 WeakPolarHBondContact O-CG2 3.46Å; W69-R135 VanDerWaalsContact CZ2-CD 3.4Å; W69-L136 HydrophobicContact CB-CD1 4.39Å; W69-L136 HydrophobicContact CB-CD2 3.63Å; W69-L136 HydrophobicContact CB-CG 3.91Å
70F80.5Confident79.4Confident103 Ų10354.7 Ų54.745%0.45228%0.275SS..Hα-helixtrans-66-46.7178.3-177.3-87.8000111.6V66 N67 N68 A73 V74 L136 F141V66-F70 VanDerWaalsContact O-CB 3.31Å; V66-F70 WeakPolarHBondContact O-CB 3.5Å; V66-F70 PolarHBondContact O-N 3.33Å; N67-F70 WeakPolarHBondContact O-CB 3.48Å; N67-F70 PolarHBondContact O-N 3.11Å; N67-F70 VanDerWaalsContact O-N 3.17Å; N68-F70 VanDerWaalsContact C-N 3.3Å; N68-F70 PolarHBondContact O-N 3.1Å; F70-A73 PolarHBondContact O-N 3.01Å; F70-V74 HydrophobicContact CD1-CG2 4.22Å; F70-V74 HydrophobicContact CE1-CG2 3.84Å; F70-V74 HydrophobicContact CZ-CG2 4.25Å; F70-V74 WeakPolarHBondContact O-CG2 3.05Å; F70-V74 PolarHBondContact O-N 3.17Å; F70-L136 HydrophobicContact CB-CD2 4.36Å; F70-F141 AromaticContact CD2-CE2 3.47Å; F70-F141 HydrophobicContact CD2-CE2 3.47Å; F70-F141 VanDerWaalsContact CD2-CE2 3.47Å; F70-F141 AromaticContact CD2-CZ 3.94Å; F70-F141 HydrophobicContact CD2-CZ 3.94Å; F70-F141 HydrophobicContact CE1-CZ 4.47Å; F70-F141 HydrophobicContact CE2-CD2 4.25Å; F70-F141 AromaticContact CE2-CE2 3.23Å; F70-F141 HydrophobicContact CE2-CE2 3.23Å; F70-F141 AromaticContact CE2-CZ 3.48Å; F70-F141 HydrophobicContact CE2-CZ 3.48Å; F70-F141 VanDerWaalsContact CE2-CZ 3.48Å; F70-F141 HydrophobicContact CG-CE2 4.41Å; F70-F141 HydrophobicContact CZ-CE2 4.02Å; F70-F141 AromaticContact CZ-CZ 3.77Å; F70-F141 HydrophobicContact CZ-CZ 3.77Å
71E81.4Confident79.5Confident120 Ų12054.2 Ų54.256%0.56127%0.268SS*.Hα-helixtrans-60.5-46.4176.4-73.9-174.3174.500111.1N67 N68 A73 V74 E75N67-E71 WeakPolarHBondContact O-CG 3.36Å; N67-E71 PolarHBondContact O-N 2.99Å; N68-E71 PolarHBondContact O-N 3.4Å; E71-A73 VanDerWaalsContact C-N 3.33Å; E71-A73 PolarHBondContact O-N 3.29Å; E71-V74 WeakPolarHBondContact O-CB 3.44Å; E71-V74 PolarHBondContact O-N 2.99Å; E71-V74 VanDerWaalsContact O-N 3.13Å; E71-E75 WeakPolarHBondContact O-CG 3.34Å; E71-E75 PolarHBondContact O-N 2.87Å
72L81Confident79.6Confident3 Ų356.3 Ų56.32%0.01628%0.283CS..Hα-helixtrans-61.2-40.2176.7-174.363.9000112.2I47 L58 I61 N68 W69 V74 E75 V76 I132I47-L72 HydrophobicContact CD1-CD1 3.57Å; L58-L72 HydrophobicContact CD1-CD2 3.87Å; I61-L72 HydrophobicContact CG2-CD1 4.29Å; I61-L72 HydrophobicContact CG2-CD2 3.95Å; N68-L72 VanDerWaalsContact O-CB 3.27Å; N68-L72 WeakPolarHBondContact O-CB 3.33Å; N68-L72 PolarHBondContact O-N 3.2Å; W69-L72 HydrophobicContact CE3-CD2 4.41Å; W69-L72 HydrophobicContact CZ3-CD2 4.35Å; L72-V74 VanDerWaalsContact C-N 3.34Å; L72-V74 PolarHBondContact O-N 2.96Å; L72-E75 PolarHBondContact O-N 3.43Å; L72-V76 VanDerWaalsContact O-CG2 3.29Å; L72-V76 WeakPolarHBondContact O-CG2 3.42Å; L72-V76 PolarHBondContact O-N 3.37Å; L72-I132 HydrophobicContact CB-CD1 4.34Å; L72-I132 HydrophobicContact CD2-CD1 3.59Å; L72-I132 HydrophobicContact CD2-CG1 4.14Å; L72-I132 HydrophobicContact CG-CD1 3.6Å
73A82.7Confident79.9Confident0 Ų056.7 Ų56.70%029%0.285CS..Hα-helixtrans-61.6-41.4174.700000112.2W69 F70 E71 L77 I132 L136 F141W69-A73 WeakPolarHBondContact O-CB 3.47Å; W69-A73 PolarHBondContact O-N 3.49Å; F70-A73 PolarHBondContact O-N 3.01Å; E71-A73 VanDerWaalsContact C-N 3.33Å; E71-A73 PolarHBondContact O-N 3.29Å; A73-L77 WeakPolarHBondContact O-CB 3.34Å; A73-L77 VanDerWaalsContact O-CG 3.29Å; A73-L77 WeakPolarHBondContact O-CG 3.47Å; A73-L77 PolarHBondContact O-N 2.99Å; A73-I132 HydrophobicContact CB-CG2 3.8Å; A73-L136 HydrophobicContact CB-CD1 3.96Å; A73-F141 HydrophobicContact CB-CE2 4.37Å; A73-F141 HydrophobicContact CB-CZ 4.38Å
74V81.7Confident80.2Confident50 Ų5050.9 Ų50.930%0.30326%0.258SS..Hα-helixtrans-64.6-43176.61750000110.9F70 E71 L72 L77 D78 F141F70-V74 HydrophobicContact CD1-CG2 4.22Å; F70-V74 HydrophobicContact CE1-CG2 3.84Å; F70-V74 HydrophobicContact CZ-CG2 4.25Å; F70-V74 WeakPolarHBondContact O-CG2 3.05Å; F70-V74 PolarHBondContact O-N 3.17Å; E71-V74 WeakPolarHBondContact O-CB 3.44Å; E71-V74 PolarHBondContact O-N 2.99Å; E71-V74 VanDerWaalsContact O-N 3.13Å; L72-V74 VanDerWaalsContact C-N 3.34Å; L72-V74 PolarHBondContact O-N 2.96Å; V74-L77 PolarHBondContact O-N 3.33Å; V74-D78 WeakPolarHBondContact O-CB 3.42Å; V74-D78 PolarHBondContact O-N 2.86Å; V74-F141 HydrophobicContact CG2-CE1 4.04Å; V74-F141 HydrophobicContact CG2-CZ 3.64Å
75E80.5Confident80.5Confident53 Ų5344.3 Ų44.325%0.24823%0.234CC..Hα-helixtrans-61.3-48177.8-71.9-176.6173.400111.8E71 L72 L77 D78 Y79E71-E75 WeakPolarHBondContact O-CG 3.34Å; E71-E75 PolarHBondContact O-N 2.87Å; L72-E75 PolarHBondContact O-N 3.43Å; E75-L77 VanDerWaalsContact C-N 3.31Å; E75-L77 PolarHBondContact O-N 2.81Å; E75-D78 PolarHBondContact O-N 3.47Å; E75-Y79 PolarHBondContact O-N 3.07Å
76V81.2Confident80.5Confident2 Ų243.1 Ų43.11%0.01223%0.228CC..Hα-helixtrans-61.2-40.1177.4172.50000111.4L72 Y79 L80 L125 T128 L129 I132L72-V76 VanDerWaalsContact O-CG2 3.29Å; L72-V76 WeakPolarHBondContact O-CG2 3.42Å; L72-V76 PolarHBondContact O-N 3.37Å; V76-Y79 PolarHBondContact O-N 2.84Å; V76-L80 HydrophobicContact CG1-CD1 4.32Å; V76-L80 WeakPolarHBondContact O-CG 3.35Å; V76-L80 PolarHBondContact O-N 3.33Å; V76-L125 HydrophobicContact CG1-CB 4.18Å; V76-L125 HydrophobicContact CG1-CD2 3.98Å; V76-L125 WeakPolarHBondContact CG1-O 3.4Å; V76-L125 HydrophobicContact CG2-CD2 4.43Å; V76-T128 HydrophobicContact CG2-CG2 4.25Å; V76-L129 HydrophobicContact CG1-CB 3.78Å; V76-L129 HydrophobicContact CG1-CD1 4.23Å; V76-L129 HydrophobicContact CG1-CG 4.47Å; V76-I132 HydrophobicContact CG2-CD1 4.25Å
77L82.9Confident80.7Confident21 Ų2139.2 Ų39.211%0.1120%0.203CC..Hα-helixtrans-67.2-42.9175.9-77.7168.6000113A73 V74 E75 Y79 L80 D81 L129 F141 P146A73-L77 WeakPolarHBondContact O-CB 3.34Å; A73-L77 VanDerWaalsContact O-CG 3.29Å; A73-L77 WeakPolarHBondContact O-CG 3.47Å; A73-L77 PolarHBondContact O-N 2.99Å; V74-L77 PolarHBondContact O-N 3.33Å; E75-L77 VanDerWaalsContact C-N 3.31Å; E75-L77 PolarHBondContact O-N 2.81Å; L77-Y79 VanDerWaalsContact C-N 3.26Å; L77-Y79 PolarHBondContact O-N 2.65Å; L77-L80 PolarHBondContact O-N 2.96Å; L77-D81 WeakPolarHBondContact O-CB 3.09Å; L77-D81 PolarHBondContact O-N 2.92Å; L77-L129 HydrophobicContact CD1-CD1 4.47Å; L77-L129 HydrophobicContact CD2-CD1 4.29Å; L77-L129 HydrophobicContact CD2-CD2 3.67Å; L77-L129 HydrophobicContact CG-CD1 3.98Å; L77-L129 HydrophobicContact CG-CD2 4.26Å; L77-F141 HydrophobicContact CD1-CD1 3.48Å; L77-F141 VanDerWaalsContact CD1-CD1 3.48Å; L77-F141 HydrophobicContact CD1-CE1 3.52Å; L77-F141 HydrophobicContact CD1-CG 4.44Å; L77-F141 HydrophobicContact CD1-CZ 4.5Å; L77-P146 HydrophobicContact CD2-CB 4.31Å; L77-P146 HydrophobicContact CD2-CG 4Å
78D79.9Confident80.7Confident45 Ų4539.9 Ų39.924%0.24120%0.201CC..Hα-helixtrans-62.7-34.8176.6-97.8-15.7000111V74 E75 S82 R248 K252V74-D78 WeakPolarHBondContact O-CB 3.42Å; V74-D78 PolarHBondContact O-N 2.86Å; E75-D78 PolarHBondContact O-N 3.47Å; D78-S82 PolarHBondContact O-N 3.49Å; D78-S82 VanDerWaalsContact O-N 3.17Å; D78-S82 PolarHBondContact O-OG 3.48Å; D78-R248 IonicContact OD1-NH2 2.67Å; D78-R248 PolarHBondContact OD1-NH2 3.42Å; D78-R248 VanDerWaalsContact OD1-NH2 3.1Å; D78-K252 IonicContact OD2-NZ 2.6Å; D78-K252 PolarHBondContact OD2-NZ 3.38Å
79Y78.8Confident80.1Confident25 Ų2539.4 Ų39.410%0.09820%0.201CC..Hα-helixtrans-70.8-47.2174.9-162.8-70.8000112.1L39 F42 M51 E75 V76 L77 D81 S82 I83 L125L39-Y79 HydrophobicContact CD2-CE1 4.06Å; L39-Y79 HydrophobicContact CD2-CE2 3.64Å; L39-Y79 WeakPolarHBondContact CD2-OH 3.21Å; F42-Y79 HydrophobicContact CD2-CD2 4.34Å; F42-Y79 HydrophobicContact CD2-CE2 4.4Å; F42-Y79 HydrophobicContact CE2-CD2 4.35Å; M51-Y79 HydrophobicContact CE-CD1 4.46Å; M51-Y79 HydrophobicContact CE-CE1 3.62Å; M51-Y79 WeakPolarHBondContact CE-OH 3.41Å; M51-Y79 HydrophobicContact SD-CE1 3.94Å; M51-Y79 HydrophobicContact SD-CE2 4.06Å; E75-Y79 PolarHBondContact O-N 3.07Å; V76-Y79 PolarHBondContact O-N 2.84Å; L77-Y79 VanDerWaalsContact C-N 3.26Å; L77-Y79 PolarHBondContact O-N 2.65Å; Y79-D81 VanDerWaalsContact C-N 3.27Å; Y79-D81 PolarHBondContact O-N 3.1Å; Y79-S82 WeakPolarHBondContact O-CA 3.05Å; Y79-S82 WeakPolarHBondContact O-CB 3.22Å; Y79-S82 PolarHBondContact O-N 2.82Å; Y79-I83 HydrophobicContact CD1-CD1 3.66Å; Y79-I83 HydrophobicContact CD1-CG1 3.95Å; Y79-I83 HydrophobicContact CE1-CD1 3.61Å; Y79-I83 HydrophobicContact CE1-CG1 3.87Å; Y79-I83 PolarHBondContact O-N 3.2Å; Y79-L125 HydrophobicContact CD1-CD1 3.11Å; Y79-L125 HydrophobicContact CD1-CD2 4.33Å; Y79-L125 HydrophobicContact CD1-CG 4.31Å; Y79-L125 HydrophobicContact CE1-CD1 3.51Å; Y79-L125 HydrophobicContact CG-CD1 3.96Å; Y79-L125 HydrophobicContact CG-CD2 4.43Å
80L82.7Confident79.7Confident5 Ų538.7 Ų38.73%0.02620%0.198CC..Hα-helixtrans-56.4-42.3174.8-81.5169.9000111.8V76 L77 S82 I83 L84 L125 L129 L150V76-L80 HydrophobicContact CG1-CD1 4.32Å; V76-L80 WeakPolarHBondContact O-CG 3.35Å; V76-L80 PolarHBondContact O-N 3.33Å; L77-L80 PolarHBondContact O-N 2.96Å; L80-S82 VanDerWaalsContact C-N 3.27Å; L80-S82 PolarHBondContact O-N 3.46Å; L80-I83 PolarHBondContact O-N 3.37Å; L80-L84 VanDerWaalsContact O-CG 3.29Å; L80-L84 WeakPolarHBondContact O-CG 3.44Å; L80-L84 PolarHBondContact O-N 3.04Å; L80-L125 HydrophobicContact CD1-CB 4.3Å; L80-L125 HydrophobicContact CD2-CB 3.77Å; L80-L125 HydrophobicContact CD2-CD1 4.09Å; L80-L125 HydrophobicContact CG-CB 3.86Å; L80-L125 HydrophobicContact CG-CD1 4.19Å; L80-L129 HydrophobicContact CD1-CD2 3.86Å; L80-L150 HydrophobicContact CD2-CD2 4.5Å
81D82.2Confident79.1Confident52 Ų5234.5 Ų34.528%0.27818%0.182SC..Hα-helixtrans-57.6-41.6173.4-97.84.5000112L77 Y79 L84 V85 R248L77-D81 WeakPolarHBondContact O-CB 3.09Å; L77-D81 PolarHBondContact O-N 2.92Å; Y79-D81 VanDerWaalsContact C-N 3.27Å; Y79-D81 PolarHBondContact O-N 3.1Å; D81-L84 PolarHBondContact O-N 3.14Å; D81-V85 VanDerWaalsContact O-CG2 3.27Å; D81-V85 WeakPolarHBondContact O-CG2 3.45Å; D81-V85 PolarHBondContact O-N 2.87Å; D81-R248 IonicContact OD2-CZ 3.83Å; D81-R248 IonicContact OD2-NH1 3.33Å; D81-R248 IonicContact OD2-NH2 2.75Å; D81-R248 PolarHBondContact OD2-NH2 2.81Å
82S78Confident78.3Confident52 Ų5234.7 Ų34.736%0.36418%0.182SC..Hα-helixtrans-66.1-42180-59.40000111.5D78 Y79 L80 V85 L86D78-S82 PolarHBondContact O-N 3.49Å; D78-S82 VanDerWaalsContact O-N 3.17Å; D78-S82 PolarHBondContact O-OG 3.48Å; Y79-S82 WeakPolarHBondContact O-CA 3.05Å; Y79-S82 WeakPolarHBondContact O-CB 3.22Å; Y79-S82 PolarHBondContact O-N 2.82Å; L80-S82 VanDerWaalsContact C-N 3.27Å; L80-S82 PolarHBondContact O-N 3.46Å; S82-V85 PolarHBondContact O-N 3.02Å; S82-L86 PolarHBondContact O-N 3.48Å
83I81Confident77.4Confident8 Ų836.8 Ų36.84%0.04120%0.196CC..Hα-helixtrans-58.7-48.3171.8-67.7165.5000110.7Y79 L80 V85 L86 Q87 C118 D121 L125 F153Y79-I83 HydrophobicContact CD1-CD1 3.66Å; Y79-I83 HydrophobicContact CD1-CG1 3.95Å; Y79-I83 HydrophobicContact CE1-CD1 3.61Å; Y79-I83 HydrophobicContact CE1-CG1 3.87Å; Y79-I83 PolarHBondContact O-N 3.2Å; L80-I83 PolarHBondContact O-N 3.37Å; I83-V85 VanDerWaalsContact C-N 3.29Å; I83-V85 PolarHBondContact O-N 3.5Å; I83-L86 WeakPolarHBondContact O-CB 3.22Å; I83-L86 PolarHBondContact O-N 3.45Å; I83-L86 VanDerWaalsContact O-N 3.16Å; I83-Q87 WeakPolarHBondContact O-CB 3.21Å; I83-Q87 PolarHBondContact O-N 2.9Å; I83-C118 HydrophobicContact CG2-CB 3.8Å; I83-D121 HydrophobicContact CD1-CB 4.01Å; I83-L125 HydrophobicContact CD1-CD1 3.5Å; I83-F153 HydrophobicContact CG2-CE1 4.46Å
84L83.7Confident76.4Confident10 Ų1038.3 Ų38.35%0.05220%0.204CC..Hα-helixtrans-65.1-33.6-177.9-69.5170.3000112.3L80 D81 K88 L150 F153L80-L84 VanDerWaalsContact O-CG 3.29Å; L80-L84 WeakPolarHBondContact O-CG 3.44Å; L80-L84 PolarHBondContact O-N 3.04Å; D81-L84 PolarHBondContact O-N 3.14Å; L84-K88 WeakPolarHBondContact O-CG 3.49Å; L84-K88 PolarHBondContact O-N 3.48Å; L84-K88 VanDerWaalsContact O-N 3.09Å; L84-L150 HydrophobicContact CD2-CD1 4.48Å; L84-F153 HydrophobicContact CD2-CB 4.19Å
85V78.8Confident74.9Confident56 Ų5642 Ų4234%0.33922%0.222SC..Hα-helixtrans-66.1-45.2172.7168.40000110.8D81 S82 I83 K88 S89 F241D81-V85 VanDerWaalsContact O-CG2 3.27Å; D81-V85 WeakPolarHBondContact O-CG2 3.45Å; D81-V85 PolarHBondContact O-N 2.87Å; S82-V85 PolarHBondContact O-N 3.02Å; I83-V85 VanDerWaalsContact C-N 3.29Å; I83-V85 PolarHBondContact O-N 3.5Å; V85-K88 PolarHBondContact O-N 3.25Å; V85-S89 PolarHBondContact O-N 3.01Å; V85-F241 HydrophobicContact CG1-CE2 4.18Å; V85-F241 HydrophobicContact CG1-CZ 4.28Å
86L76Confident73.2Confident39 Ų3941.6 Ų41.620%0.20423%0.225CC..Hα-helixtrans-60.9-47176.6-179.559.9000110.9S82 I83 K88 S89 V90S82-L86 PolarHBondContact O-N 3.48Å; I83-L86 WeakPolarHBondContact O-CB 3.22Å; I83-L86 PolarHBondContact O-N 3.45Å; I83-L86 VanDerWaalsContact O-N 3.16Å; L86-K88 PolarHBondContact O-N 3.5Å; L86-S89 WeakPolarHBondContact CA-OG 3.34Å; L86-S89 PolarHBondContact O-N 3.42Å; L86-S89 PolarHBondContact O-OG 3.05Å; L86-V90 HydrophobicContact CD1-CG2 4.16Å; L86-V90 HydrophobicContact CG-CG2 4.45Å; L86-V90 WeakPolarHBondContact O-CG2 3.47Å; L86-V90 PolarHBondContact O-N 3.21Å
87Q82Confident71.2Confident15 Ų1549.1 Ų49.17%0.0726%0.264CS..Hα-helixtrans-53.1-49.8175.6178.9-78-47.800112.7I83 S89 V90 T91 L115 F153I83-Q87 WeakPolarHBondContact O-CB 3.21Å; I83-Q87 PolarHBondContact O-N 2.9Å; Q87-S89 VanDerWaalsContact C-N 3.31Å; Q87-S89 PolarHBondContact O-N 3.34Å; Q87-V90 PolarHBondContact O-N 3.33Å; Q87-T91 PolarHBondContact NE2-OG1 3.35Å; Q87-T91 VanDerWaalsContact NE2-OG1 3.09Å; Q87-T91 WeakPolarHBondContact O-CB 3.47Å; Q87-T91 WeakPolarHBondContact O-CG2 3.49Å; Q87-T91 PolarHBondContact O-N 3.47Å; Q87-T91 PolarHBondContact O-OG1 2.98Å; Q87-L115 HydrophobicContact CB-CD2 4.23Å; Q87-L115 HydrophobicContact CG-CD2 4.47Å; Q87-F153 HydrophobicContact CB-CD2 4.34Å; Q87-F153 HydrophobicContact CB-CE2 4.31Å; Q87-F153 HydrophobicContact CG-CB 4.2Å; Q87-F153 HydrophobicContact CG-CD1 4.39Å; Q87-F153 HydrophobicContact CG-CD2 3.17Å; Q87-F153 HydrophobicContact CG-CE2 3.41Å; Q87-F153 VanDerWaalsContact CG-CE2 3.41Å; Q87-F153 HydrophobicContact CG-CG 3.69Å; Q87-F153 HydrophobicContact CG-CZ 4.13Å
88K77.6Confident69Low119 Ų11952.4 Ų52.452%0.51728%0.277SS..Hα-helixtrans-62.3-40.2177.3-73.4176-176.51740111.4L84 V85 L86 T91 H92L84-K88 WeakPolarHBondContact O-CG 3.49Å; L84-K88 PolarHBondContact O-N 3.48Å; L84-K88 VanDerWaalsContact O-N 3.09Å; V85-K88 PolarHBondContact O-N 3.25Å; L86-K88 PolarHBondContact O-N 3.5Å; K88-T91 PolarHBondContact O-N 3.37Å; K88-T91 PolarHBondContact O-OG1 3.02Å; K88-H92 WeakPolarHBondContact O-CB 3.36Å; K88-H92 PolarHBondContact O-N 2.87Å
89S68.4Low67.2Low30 Ų3054.7 Ų54.721%0.2129%0.285CS..Hα-helixtrans-67.2-35.8179.673.10000113.4V85 L86 Q87 P93 F237V85-S89 PolarHBondContact O-N 3.01Å; L86-S89 WeakPolarHBondContact CA-OG 3.34Å; L86-S89 PolarHBondContact O-N 3.42Å; L86-S89 PolarHBondContact O-OG 3.05Å; Q87-S89 VanDerWaalsContact C-N 3.31Å; Q87-S89 PolarHBondContact O-N 3.34Å; S89-P93 WeakPolarHBondContact O-CD 3.34Å; S89-F237 WeakPolarHBondContact OG-CE2 3.26Å
90V72Confident65.4Low4 Ų462.2 Ų62.22%0.02432%0.319CS..Hα-helixtrans-73.6-38.2176.9171.80000111.4W11 L86 Q87 R111 L115W11-V90 HydrophobicContact CH2-CG2 3.84Å; W11-V90 HydrophobicContact CZ3-CG2 3.99Å; L86-V90 HydrophobicContact CD1-CG2 4.16Å; L86-V90 HydrophobicContact CG-CG2 4.45Å; L86-V90 WeakPolarHBondContact O-CG2 3.47Å; L86-V90 PolarHBondContact O-N 3.21Å; Q87-V90 PolarHBondContact O-N 3.33Å; V90-R111 WeakPolarHBondContact CG1-O 3.43Å; V90-L115 HydrophobicContact CB-CD1 4.43Å; V90-L115 HydrophobicContact CB-CD2 4.13Å; V90-L115 HydrophobicContact CB-CG 4.43Å; V90-L115 HydrophobicContact CG1-CD1 3.86Å; V90-L115 HydrophobicContact CG1-CD2 4.24Å; V90-L115 HydrophobicContact CG1-CG 3.98Å; V90-L115 HydrophobicContact CG2-CD2 4.28Å
91T68.6Low64.1Low16 Ų1663 Ų6310%0.09832%0.324CS..Hα-helixtrans-87.1-23.9-176.3550000114.2Q87 K88 L94 N95 L115Q87-T91 PolarHBondContact NE2-OG1 3.35Å; Q87-T91 VanDerWaalsContact NE2-OG1 3.09Å; Q87-T91 WeakPolarHBondContact O-CB 3.47Å; Q87-T91 WeakPolarHBondContact O-CG2 3.49Å; Q87-T91 PolarHBondContact O-N 3.47Å; Q87-T91 PolarHBondContact O-OG1 2.98Å; K88-T91 PolarHBondContact O-N 3.37Å; K88-T91 PolarHBondContact O-OG1 3.02Å; T91-L94 WeakPolarHBondContact O-CA 3.38Å; T91-L94 WeakPolarHBondContact O-CB 3.43Å; T91-L94 PolarHBondContact O-N 3.4Å; T91-N95 PolarHBondContact O-N 3.19Å; T91-L115 HydrophobicContact CG2-CD1 4.09Å
92H65Low63.1Low123 Ų12363.3 Ų63.357%0.56933%0.33SS*.Hα-helixtrans-56.8-42.5-179.9-177.2-57.3000113.5K88 L94 N95 C96K88-H92 WeakPolarHBondContact O-CB 3.36Å; K88-H92 PolarHBondContact O-N 2.87Å; H92-L94 VanDerWaalsContact C-N 3.29Å; H92-L94 PolarHBondContact O-N 2.88Å; H92-N95 PolarHBondContact O-N 2.7Å; H92-C96 PolarHBondContact CE1-SG 3.13Å; H92-C96 PolarHBondContact ND1-SG 2.91Å; H92-C96 PolarHBondContact O-N 3.22Å; H92-C96 VanDerWaalsContact O-N 3.11Å; H92-C96 PolarHBondContact O-SG 2.89Å
93P61.3Low62.7Low47 Ų4762 Ų6231%0.30532%0.321SS..Hα-helixtrans-65.7-28.7173.6-22.134.2000114S89S89-P93 WeakPolarHBondContact O-CD 3.34Å
94L61.3Low62.2Low32 Ų3265.8 Ų65.817%0.16834%0.339CS..Hα-helixtrans-76.5-30178-60.1173.8000112T91 H92 T101 L112T91-L94 WeakPolarHBondContact O-CA 3.38Å; T91-L94 WeakPolarHBondContact O-CB 3.43Å; T91-L94 PolarHBondContact O-N 3.4Å; H92-L94 VanDerWaalsContact C-N 3.29Å; H92-L94 PolarHBondContact O-N 2.88Å; L94-T101 WeakPolarHBondContact CD2-O 3.4Å; L94-L112 HydrophobicContact CD1-CD1 4.35Å; L94-L112 HydrophobicContact CD1-CD2 3.5Å; L94-L112 HydrophobicContact CD1-CG 3.96Å
95N51.9Low61.5Low128 Ų12867.6 Ų67.668%0.68435%0.351SS*.Hα-helixtrans-92.8-9-179-69.4-25.2000113.8T91 H92 L97T91-N95 PolarHBondContact O-N 3.19Å; H92-N95 PolarHBondContact O-N 2.7Å; N95-L97 PolarHBondContact O-N 2.93Å
96C44.2Very low60.9Low45 Ų4568.5 Ų68.530%0.30436%0.358SS..SBendtrans-76.7120.8174.1-80.50000110.2H92 F98 F99H92-C96 PolarHBondContact CE1-SG 3.13Å; H92-C96 PolarHBondContact ND1-SG 2.91Å; H92-C96 PolarHBondContact O-N 3.22Å; H92-C96 VanDerWaalsContact O-N 3.11Å; H92-C96 PolarHBondContact O-SG 2.89Å; C96-F98 PolarHBondContact O-N 3.28Å; C96-F99 PolarHBondContact O-N 3.29Å
97L39.4Very low60.3Low160 Ų16067.9 Ų67.984%0.83836%0.356SS*.THydrogen-bonded Turntrans-47.6-17.6174.4-81160.3000115N95N95-L97 PolarHBondContact O-N 2.93Å
98F37Very low59.7Low90 Ų9067.2 Ų67.240%0.39535%0.352SS..THydrogen-bonded Turntrans-79.4-21.1-178.6-120.4-83.7000114.8C96 A495 V499 S527C96-F98 PolarHBondContact O-N 3.28Å; F98-A495 HydrophobicContact CE1-CB 4.17Å; F98-V499 HydrophobicContact CE1-CG2 4.41Å; F98-V499 HydrophobicContact CZ-CG2 3.93Å; F98-S527 WeakPolarHBondContact CE2-OG 3.29Å; F98-S527 WeakPolarHBondContact CZ-OG 3.39Å
99F42.3Very low59.7Low93 Ų9364.7 Ų64.741%0.40834%0.343SS..  trans-145.280.4-169.9-62.6-74000111.8C96 T101 T229C96-F99 PolarHBondContact O-N 3.29Å; F99-T101 VanDerWaalsContact C-N 3.27Å; F99-T101 PolarHBondContact O-N 3.28Å; F99-T229 HydrophobicContact CD1-CG2 4.14Å; F99-T229 HydrophobicContact CE1-CG2 3.43Å; F99-T229 VanDerWaalsContact CE1-CG2 3.43Å; F99-T229 HydrophobicContact CZ-CG2 3.79Å
100F41.3Very low59.9Low183 Ų18364.1 Ų64.180%0.80334%0.339SS*.  trans-66.588.4166.4-87.8-84.6000110.1
101T53.4Low59.9Low22 Ų2265.8 Ų65.814%0.13534%0.344CS..  trans-91.3101.9157.2-46.90000105.6L94 F99 S103 T105 V107L94-T101 WeakPolarHBondContact CD2-O 3.4Å; F99-T101 VanDerWaalsContact C-N 3.27Å; F99-T101 PolarHBondContact O-N 3.28Å; T101-S103 PolarHBondContact O-N 2.96Å; T101-T105 VanDerWaalsContact CG2-OG1 3.29Å; T101-T105 WeakPolarHBondContact CG2-OG1 3.36Å; T101-V107 HydrophobicContact CG2-CB 4.38Å; T101-V107 HydrophobicContact CG2-CG1 4.35Å
102S63Low60.4Low58 Ų5865 Ų6541%0.40634%0.34SS..  trans-57.9140.4177.4166.50000109.7M104 T105S102-M104 PolarHBondContact O-N 2.97Å; S102-M104 PolarHBondContact OG-N 3.1Å; S102-M104 VanDerWaalsContact OG-N 3.17Å; S102-T105 PolarHBondContact O-N 2.88Å; S102-T105 PolarHBondContact O-OG1 3.46Å
103S68.4Low61.1Low23 Ų2359.8 Ų59.816%0.16132%0.318CS..THydrogen-bonded Turntrans-58.6-13.2173.458.80000112.9T101 Q109T101-S103 PolarHBondContact O-N 2.96Å; S103-Q109 VanDerWaalsContact O-CG 3.22Å; S103-Q109 WeakPolarHBondContact O-CG 3.25Å
104M70Confident61.8Low89 Ų8957.8 Ų57.844%0.43831%0.305SS..THydrogen-bonded Turntrans-90.9-9.4177.1-58.2-70.784.800113.8S102 Q161S102-M104 PolarHBondContact O-N 2.97Å; S102-M104 PolarHBondContact OG-N 3.1Å; S102-M104 VanDerWaalsContact OG-N 3.17Å; M104-Q161 HydrophobicContact CE-CB 3.53Å; M104-Q161 HydrophobicContact SD-CB 3.71Å
105T68.9Low62.8Low48 Ų4856.3 Ų56.329%0.29430%0.297SS..SBendtrans-78.8145.3174.761.70000110.6T101 S102 V107 G108 Q109T101-T105 VanDerWaalsContact CG2-OG1 3.29Å; T101-T105 WeakPolarHBondContact CG2-OG1 3.36Å; S102-T105 PolarHBondContact O-N 2.88Å; S102-T105 PolarHBondContact O-OG1 3.46Å; T105-V107 PolarHBondContact O-N 2.82Å; T105-V107 VanDerWaalsContact O-N 3.14Å; T105-G108 WeakPolarHBondContact O-CA 3.22Å; T105-G108 PolarHBondContact O-N 3Å; T105-G108 PolarHBondContact OG1-N 2.91Å; T105-G108 VanDerWaalsContact OG1-N 3.12Å; T105-Q109 WeakPolarHBondContact O-CG 2.93Å; T105-Q109 PolarHBondContact O-N 3.03Å
106P66.4Low64.3Low74 Ų7451 Ų5148%0.48127%0.268SS..Hα-helixtrans-53.8-36.6177.3-28.234.8000113.5Q109 C110P106-Q109 PolarHBondContact O-N 3.49Å; P106-C110 WeakPolarHBondContact O-CB 3.36Å; P106-C110 PolarHBondContact O-N 2.87Å; P106-C110 PolarHBondContact O-SG 3.24Å
107V63.2Low66.1Low27 Ų2749.2 Ų49.216%0.16426%0.256CS..Hα-helixtrans-66.3-44.1175.4-179.60000111.5I8 T101 T105 R111 P223I8-V107 HydrophobicContact CD1-CG2 4.14Å; T101-V107 HydrophobicContact CG2-CB 4.38Å; T101-V107 HydrophobicContact CG2-CG1 4.35Å; T105-V107 PolarHBondContact O-N 2.82Å; T105-V107 VanDerWaalsContact O-N 3.14Å; V107-R111 WeakPolarHBondContact O-CG 3.21Å; V107-R111 PolarHBondContact O-N 3.42Å; V107-R111 VanDerWaalsContact O-N 3.15Å; V107-P223 HydrophobicContact CG2-CG 4.15Å
108G70.9Confident68.2Low0 Ų041.6 Ų41.60%022%0.216CC..Hα-helixtrans-63.2-43.4175.300000112.1T105 R111 L112T105-G108 WeakPolarHBondContact O-CA 3.22Å; T105-G108 PolarHBondContact O-N 3Å; T105-G108 PolarHBondContact OG1-N 2.91Å; T105-G108 VanDerWaalsContact OG1-N 3.12Å; G108-R111 PolarHBondContact O-N 3.26Å; G108-L112 WeakPolarHBondContact O-CB 3.44Å; G108-L112 VanDerWaalsContact O-CG 3.31Å; G108-L112 WeakPolarHBondContact O-CG 3.35Å; G108-L112 PolarHBondContact O-N 3.32Å
109Q77.8Confident70.6Confident66 Ų6637.3 Ų37.331%0.30820%0.197SC..Hα-helixtrans-62.8-45.8176.7-66.4-177.1-10.300112S103 T105 P106 R111 L112 A113 Y162S103-Q109 VanDerWaalsContact O-CG 3.22Å; S103-Q109 WeakPolarHBondContact O-CG 3.25Å; T105-Q109 WeakPolarHBondContact O-CG 2.93Å; T105-Q109 PolarHBondContact O-N 3.03Å; P106-Q109 PolarHBondContact O-N 3.49Å; Q109-R111 VanDerWaalsContact C-N 3.27Å; Q109-R111 PolarHBondContact O-N 3.49Å; Q109-L112 PolarHBondContact O-N 3.06Å; Q109-L112 VanDerWaalsContact O-N 3.08Å; Q109-A113 PolarHBondContact O-N 3.28Å; Q109-Y162 HydrophobicContact CB-CD2 3.94Å; Q109-Y162 HydrophobicContact CB-CE2 3.52Å; Q109-Y162 HydrophobicContact CG-CD2 3.44Å; Q109-Y162 VanDerWaalsContact CG-CD2 3.44Å; Q109-Y162 HydrophobicContact CG-CE2 3.52Å; Q109-Y162 HydrophobicContact CG-CG 4.21Å
110C72Confident72.6Confident19 Ų1933.6 Ų33.613%0.12818%0.182CC..Hα-helixtrans-61.2-37.6177.3-68.50000112I8 W11 P106I8-C110 HydrophobicContact CG2-CB 4.23Å; W11-C110 VanDerWaalsContact CB-O 3.31Å; W11-C110 WeakPolarHBondContact CB-O 3.49Å; P106-C110 WeakPolarHBondContact O-CB 3.36Å; P106-C110 PolarHBondContact O-N 2.87Å; P106-C110 PolarHBondContact O-SG 3.24Å
111R72.3Confident74.6Confident38 Ų3825 Ų2514%0.14314%0.144CC..Hα-helixtrans-66.9-36.9173.7-73.9175.8179.6-1740.9112.8W11 V90 V107 G108 Q109 P114W11-R111 HydrophobicContact CG-CG 4.45Å; V90-R111 WeakPolarHBondContact CG1-O 3.43Å; V107-R111 WeakPolarHBondContact O-CG 3.21Å; V107-R111 PolarHBondContact O-N 3.42Å; V107-R111 VanDerWaalsContact O-N 3.15Å; G108-R111 PolarHBondContact O-N 3.26Å; Q109-R111 VanDerWaalsContact C-N 3.27Å; Q109-R111 PolarHBondContact O-N 3.49Å; R111-P114 WeakPolarHBondContact O-CD 3.26Å
112L79.4Confident76.2Confident0 Ų024 Ų240%014%0.138CC..Hα-helixtrans-79.6-25-179-72.5172.5000113.2L94 G108 Q109 P114 L115 L160 Y162 F163L94-L112 HydrophobicContact CD1-CD1 4.35Å; L94-L112 HydrophobicContact CD1-CD2 3.5Å; L94-L112 HydrophobicContact CD1-CG 3.96Å; G108-L112 WeakPolarHBondContact O-CB 3.44Å; G108-L112 VanDerWaalsContact O-CG 3.31Å; G108-L112 WeakPolarHBondContact O-CG 3.35Å; G108-L112 PolarHBondContact O-N 3.32Å; Q109-L112 PolarHBondContact O-N 3.06Å; Q109-L112 VanDerWaalsContact O-N 3.08Å; L112-P114 VanDerWaalsContact C-CD 3.4Å; L112-L115 HydrophobicContact CD2-CD1 3.79Å; L112-L115 VanDerWaalsContact O-CB 3.27Å; L112-L115 WeakPolarHBondContact O-CB 3.47Å; L112-L115 PolarHBondContact O-N 3.28Å; L112-L160 HydrophobicContact CD1-CD1 4.33Å; L112-L160 HydrophobicContact CD2-CD1 3.95Å; L112-Y162 HydrophobicContact CB-CD1 3.57Å; L112-Y162 HydrophobicContact CB-CE1 3.68Å; L112-Y162 HydrophobicContact CD1-CD1 3.95Å; L112-Y162 HydrophobicContact CD1-CG 4.32Å; L112-Y162 HydrophobicContact CG-CD1 4.42Å; L112-F163 HydrophobicContact CB-CE1 4.32Å; L112-F163 HydrophobicContact CB-CZ 4.05Å; L112-F163 HydrophobicContact CD2-CZ 4.24Å
113A78.8Confident77.4Confident13 Ų1321.6 Ų21.611%0.10712%0.121CC..Hα-helixtrans-51.8-40.2-176.300000115.3H15 Q109 L115 I116H15-A113 PolarHBondContact ND1-O 2.96Å; H15-A113 VanDerWaalsContact ND1-O 3.09Å; Q109-A113 PolarHBondContact O-N 3.28Å; A113-L115 PolarHBondContact O-N 3.29Å; A113-I116 WeakPolarHBondContact O-CB 3.44Å; A113-I116 PolarHBondContact O-N 2.76Å
114P76.2Confident78.1Confident6 Ų621.8 Ų21.84%0.03912%0.122CC..Hα-helixtrans-61.2-26.6175-21.432.2000114W11 R111 L112 I116 L117 C118W11-P114 HydrophobicContact CE3-CG 3.66Å; W11-P114 HydrophobicContact CZ3-CG 4.11Å; R111-P114 WeakPolarHBondContact O-CD 3.26Å; L112-P114 VanDerWaalsContact C-CD 3.4Å; P114-I116 PolarHBondContact O-N 2.9Å; P114-L117 PolarHBondContact O-N 3.42Å; P114-C118 PolarHBondContact O-N 3.43Å; P114-C118 PolarHBondContact O-SG 3.49Å
115L82Confident78.8Confident0 Ų017.7 Ų17.70%010%0.102CC..Hα-helixtrans-68.4-22.8179.3-59.3-178.2000112.5Q87 V90 T91 L112 A113 L117 C118 I119 F163Q87-L115 HydrophobicContact CB-CD2 4.23Å; Q87-L115 HydrophobicContact CG-CD2 4.47Å; V90-L115 HydrophobicContact CB-CD1 4.43Å; V90-L115 HydrophobicContact CB-CD2 4.13Å; V90-L115 HydrophobicContact CB-CG 4.43Å; V90-L115 HydrophobicContact CG1-CD1 3.86Å; V90-L115 HydrophobicContact CG1-CD2 4.24Å; V90-L115 HydrophobicContact CG1-CG 3.98Å; V90-L115 HydrophobicContact CG2-CD2 4.28Å; T91-L115 HydrophobicContact CG2-CD1 4.09Å; L112-L115 HydrophobicContact CD2-CD1 3.79Å; L112-L115 VanDerWaalsContact O-CB 3.27Å; L112-L115 WeakPolarHBondContact O-CB 3.47Å; L112-L115 PolarHBondContact O-N 3.28Å; A113-L115 PolarHBondContact O-N 3.29Å; L115-L117 VanDerWaalsContact C-N 3.33Å; L115-L117 PolarHBondContact O-N 2.82Å; L115-C118 WeakPolarHBondContact O-CB 3.32Å; L115-C118 PolarHBondContact O-N 3.06Å; L115-I119 VanDerWaalsContact O-CG1 3.24Å; L115-I119 WeakPolarHBondContact O-CG1 3.24Å; L115-I119 PolarHBondContact O-N 2.94Å; L115-F163 HydrophobicContact CB-CZ 3.79Å; L115-F163 HydrophobicContact CD1-CZ 4.17Å
116I83.7Confident79.6Confident16 Ų1615.8 Ų15.88%0.0829%0.089CC..Hα-helixtrans-59-48.7174.9-61.9174.5000109.8A113 P114 I119 L120 Y162 F163 L166 V167 L195A113-I116 WeakPolarHBondContact O-CB 3.44Å; A113-I116 PolarHBondContact O-N 2.76Å; P114-I116 PolarHBondContact O-N 2.9Å; I116-I119 PolarHBondContact O-N 3.24Å; I116-L120 PolarHBondContact O-N 3.3Å; I116-Y162 HydrophobicContact CD1-CE1 4.23Å; I116-F163 HydrophobicContact CD1-CE1 4.43Å; I116-F163 HydrophobicContact CG1-CD1 3.95Å; I116-F163 HydrophobicContact CG1-CE1 3.67Å; I116-L166 HydrophobicContact CD1-CB 4.27Å; I116-L166 HydrophobicContact CD1-CD1 4.03Å; I116-V167 HydrophobicContact CG2-CB 4.3Å; I116-L195 HydrophobicContact CG2-CD2 3.44Å; I116-L195 VanDerWaalsContact CG2-CD2 3.44Å
117L81.3Confident80.5Confident8 Ų813.1 Ų13.14%0.0427%0.071CC..Hα-helixtrans-68.5-36.9177.3-61.9174.5000111.3H15 H18 K19 P114 L115 I119 L120 D121H15-L117 WeakPolarHBondContact O-CD1 3.46Å; H18-L117 HydrophobicContact CB-CD1 3.63Å; H18-L117 WeakPolarHBondContact CE1-CB 3.47Å; H18-L117 WeakPolarHBondContact ND1-CB 3.42Å; K19-L117 HydrophobicContact CB-CD1 4.15Å; P114-L117 PolarHBondContact O-N 3.42Å; L115-L117 VanDerWaalsContact C-N 3.33Å; L115-L117 PolarHBondContact O-N 2.82Å; L117-I119 VanDerWaalsContact C-N 3.33Å; L117-I119 PolarHBondContact O-N 2.99Å; L117-L120 HydrophobicContact CD2-CD1 4.26Å; L117-L120 PolarHBondContact O-N 3.01Å; L117-D121 VanDerWaalsContact O-CB 3.32Å; L117-D121 WeakPolarHBondContact O-CB 3.36Å; L117-D121 PolarHBondContact O-N 3.38Å
118C84.2Confident81.5Confident1 Ų112.3 Ų12.31%0.0077%0.066CC..Hα-helixtrans-60.9-39.6173.9-64.20000112.9I83 P114 L115 D121 S122 F153I83-C118 HydrophobicContact CG2-CB 3.8Å; P114-C118 PolarHBondContact O-N 3.43Å; P114-C118 PolarHBondContact O-SG 3.49Å; L115-C118 WeakPolarHBondContact O-CB 3.32Å; L115-C118 PolarHBondContact O-N 3.06Å; C118-D121 PolarHBondContact O-N 3.21Å; C118-S122 WeakPolarHBondContact O-CB 3.38Å; C118-S122 PolarHBondContact O-N 3.31Å; C118-S122 PolarHBondContact O-OG 3.2Å; C118-F153 HydrophobicContact CB-CZ 4.25Å
119I86.7Confident82.2Confident0 Ų012.7 Ų12.70%07%0.068CC..Hα-helixtrans-61.8-51.2177.3-70.6161.8000109.3L115 I116 L117 D121 S122 S123 F153 Y154 F163 V167 V169 P170 V193L115-I119 VanDerWaalsContact O-CG1 3.24Å; L115-I119 WeakPolarHBondContact O-CG1 3.24Å; L115-I119 PolarHBondContact O-N 2.94Å; I116-I119 PolarHBondContact O-N 3.24Å; L117-I119 VanDerWaalsContact C-N 3.33Å; L117-I119 PolarHBondContact O-N 2.99Å; I119-D121 VanDerWaalsContact C-N 3.33Å; I119-D121 PolarHBondContact O-N 3.43Å; I119-S122 WeakPolarHBondContact CA-OG 3.31Å; I119-S122 PolarHBondContact O-N 2.94Å; I119-S122 PolarHBondContact O-OG 3.26Å; I119-S123 PolarHBondContact O-N 3.43Å; I119-S123 PolarHBondContact O-OG 2.9Å; I119-F153 HydrophobicContact CD1-CZ 4.35Å; I119-F153 HydrophobicContact CG1-CE1 3.89Å; I119-F153 HydrophobicContact CG1-CE2 4.17Å; I119-F153 HydrophobicContact CG1-CZ 3.46Å; I119-F153 VanDerWaalsContact CG1-CZ 3.46Å; I119-Y154 HydrophobicContact CG2-CE1 4.29Å; I119-F163 HydrophobicContact CD1-CE2 4.49Å; I119-V167 HydrophobicContact CD1-CG1 4.09Å; I119-V167 HydrophobicContact CG2-CG2 4.31Å; I119-V169 HydrophobicContact CD1-CG2 4.2Å; I119-P170 HydrophobicContact CG2-CG 4.47Å; I119-V193 HydrophobicContact CG2-CG1 4.05Å
120L84Confident82.4Confident15 Ų159.6 Ų9.68%0.0795%0.054CC..Hα-helixtrans-59.7-40.5178.1-72.1164.5000113I116 L117 S123 C124 V193 L195I116-L120 PolarHBondContact O-N 3.3Å; L117-L120 HydrophobicContact CD2-CD1 4.26Å; L117-L120 PolarHBondContact O-N 3.01Å; L120-S123 PolarHBondContact O-OG 3.09Å; L120-C124 PolarHBondContact O-N 2.89Å; L120-C124 PolarHBondContact O-SG 2.71Å; L120-C124 VanDerWaalsContact O-SG 3.33Å; L120-V193 HydrophobicContact CD2-CB 3.98Å; L120-V193 HydrophobicContact CD2-CG1 3.43Å; L120-V193 VanDerWaalsContact CD2-CG1 3.43Å; L120-V193 HydrophobicContact CG-CG1 4.07Å; L120-L195 HydrophobicContact CD1-CD1 3.86Å; L120-L195 HydrophobicContact CD1-CD2 3.95Å; L120-L195 HydrophobicContact CD1-CG 3.93Å; L120-L195 HydrophobicContact CD2-CG 4.38Å
121D83.6Confident83Confident3 Ų311.8 Ų11.82%0.0166%0.061CC..Hα-helixtrans-70.6-43.9179.3-76.80.3000111.3H18 R22 M51 I83 L117 C118 I119 S123 C124 L125H18-D121 IonicContact CD2-OD2 2.69Å; H18-D121 IonicContact CE1-OD2 2.81Å; H18-D121 PolarHBondContact CE1-OD2 3.03Å; H18-D121 VanDerWaalsContact CE1-OD2 3.27Å; H18-D121 IonicContact NE2-OD2 3.82Å; H18-D121 PolarHBondContact NE2-OD2 3.38Å; R22-D121 IonicContact CZ-OD1 3.89Å; R22-D121 IonicContact NH1-OD1 3.92Å; R22-D121 PolarHBondContact NH1-OD1 3.39Å; R22-D121 IonicContact NH2-OD1 2.88Å; M51-D121 HydrophobicContact CE-CB 3.31Å; M51-D121 VanDerWaalsContact CE-CG 3.42Å; I83-D121 HydrophobicContact CD1-CB 4.01Å; L117-D121 VanDerWaalsContact O-CB 3.32Å; L117-D121 WeakPolarHBondContact O-CB 3.36Å; L117-D121 PolarHBondContact O-N 3.38Å; C118-D121 PolarHBondContact O-N 3.21Å; I119-D121 VanDerWaalsContact C-N 3.33Å; I119-D121 PolarHBondContact O-N 3.43Å; D121-S123 VanDerWaalsContact C-N 3.3Å; D121-S123 PolarHBondContact O-N 2.99Å; D121-C124 PolarHBondContact O-N 3.32Å; D121-L125 WeakPolarHBondContact O-CB 3.21Å; D121-L125 WeakPolarHBondContact O-CD1 3.49Å; D121-L125 VanDerWaalsContact O-CG 3.26Å; D121-L125 WeakPolarHBondContact O-CG 3.34Å; D121-L125 PolarHBondContact O-N 2.74Å
122S87.6Confident83.4Confident0 Ų010 Ų100%05%0.054CC..Hα-helixtrans-65.9-30.1179.964.50000113.2C118 I119 Y126 Y154C118-S122 WeakPolarHBondContact O-CB 3.38Å; C118-S122 PolarHBondContact O-N 3.31Å; C118-S122 PolarHBondContact O-OG 3.2Å; I119-S122 WeakPolarHBondContact CA-OG 3.31Å; I119-S122 PolarHBondContact O-N 2.94Å; I119-S122 PolarHBondContact O-OG 3.26Å; S122-Y126 WeakPolarHBondContact O-CB 3.32Å; S122-Y126 PolarHBondContact O-N 2.97Å; S122-Y154 WeakPolarHBondContact OG-CE1 3.3Å; S122-Y154 PolarHBondContact OG-OH 3.48Å
123S87.2Confident83.4Confident8 Ų810 Ų106%0.0565%0.054CC..Hα-helixtrans-69.6-45.4174.458.60000111.7I119 L120 D121 L125 Y126 D127 Y154 V193I119-S123 PolarHBondContact O-N 3.43Å; I119-S123 PolarHBondContact O-OG 2.9Å; L120-S123 PolarHBondContact O-OG 3.09Å; D121-S123 VanDerWaalsContact C-N 3.3Å; D121-S123 PolarHBondContact O-N 2.99Å; S123-L125 PolarHBondContact O-N 2.86Å; S123-Y126 PolarHBondContact O-N 2.9Å; S123-D127 PolarHBondContact O-N 3.22Å; S123-Y154 WeakPolarHBondContact CA-OH 3.38Å; S123-Y154 PolarHBondContact N-OH 3.33Å; S123-V193 VanDerWaalsContact CB-CG2 3.49Å; S123-V193 VanDerWaalsContact OG-CG2 3.31Å; S123-V193 WeakPolarHBondContact OG-CG2 3.44Å
124C83.5Confident83.4Confident26 Ų2610 Ų1018%0.1765%0.052CC..Hα-helixtrans-63.4-41.2177.2-65.50000112.4M51 L120 D121 D127 T128M51-C124 HydrophobicContact CB-CB 4.23Å; L120-C124 PolarHBondContact O-N 2.89Å; L120-C124 PolarHBondContact O-SG 2.71Å; L120-C124 VanDerWaalsContact O-SG 3.33Å; D121-C124 PolarHBondContact O-N 3.32Å; C124-D127 PolarHBondContact O-N 3.03Å; C124-T128 WeakPolarHBondContact O-CB 3.36Å; C124-T128 PolarHBondContact O-N 3.46Å; C124-T128 PolarHBondContact O-OG1 2.93Å
125L84.7Confident83.5Confident3 Ų313.2 Ų13.22%0.0166%0.063CC..Hα-helixtrans-68.3-40.7177-71.9163.6000112.6M51 V76 Y79 L80 I83 D121 S123 D127 T128 L129M51-L125 HydrophobicContact CE-CD1 3.67Å; M51-L125 HydrophobicContact CE-CD2 4.2Å; M51-L125 HydrophobicContact CE-CG 3.73Å; M51-L125 HydrophobicContact SD-CD1 4.16Å; M51-L125 HydrophobicContact SD-CD2 3.69Å; M51-L125 HydrophobicContact SD-CG 3.92Å; V76-L125 HydrophobicContact CG1-CB 4.18Å; V76-L125 HydrophobicContact CG1-CD2 3.98Å; V76-L125 WeakPolarHBondContact CG1-O 3.4Å; V76-L125 HydrophobicContact CG2-CD2 4.43Å; Y79-L125 HydrophobicContact CD1-CD1 3.11Å; Y79-L125 HydrophobicContact CD1-CD2 4.33Å; Y79-L125 HydrophobicContact CD1-CG 4.31Å; Y79-L125 HydrophobicContact CE1-CD1 3.51Å; Y79-L125 HydrophobicContact CG-CD1 3.96Å; Y79-L125 HydrophobicContact CG-CD2 4.43Å; L80-L125 HydrophobicContact CD1-CB 4.3Å; L80-L125 HydrophobicContact CD2-CB 3.77Å; L80-L125 HydrophobicContact CD2-CD1 4.09Å; L80-L125 HydrophobicContact CG-CB 3.86Å; L80-L125 HydrophobicContact CG-CD1 4.19Å; I83-L125 HydrophobicContact CD1-CD1 3.5Å; D121-L125 WeakPolarHBondContact O-CB 3.21Å; D121-L125 WeakPolarHBondContact O-CD1 3.49Å; D121-L125 VanDerWaalsContact O-CG 3.26Å; D121-L125 WeakPolarHBondContact O-CG 3.34Å; D121-L125 PolarHBondContact O-N 2.74Å; S123-L125 PolarHBondContact O-N 2.86Å; L125-D127 VanDerWaalsContact C-N 3.3Å; L125-D127 PolarHBondContact O-N 2.58Å; L125-T128 PolarHBondContact O-N 3.4Å; L125-L129 VanDerWaalsContact O-CB 3.22Å; L125-L129 WeakPolarHBondContact O-CB 3.42Å; L125-L129 PolarHBondContact O-N 2.98Å
126Y87.1Confident83.2Confident9 Ų914.5 Ų14.54%0.0357%0.07CC..Hα-helixtrans-60.7-43.5175.3177-100.1000110.9S122 S123 L129 V130 Y147 L150 L172 Y188 P191S122-Y126 WeakPolarHBondContact O-CB 3.32Å; S122-Y126 PolarHBondContact O-N 2.97Å; S123-Y126 PolarHBondContact O-N 2.9Å; Y126-L129 PolarHBondContact O-N 2.9Å; Y126-V130 HydrophobicContact CD1-CG2 4.37Å; Y126-V130 HydrophobicContact CD2-CG2 4.48Å; Y126-V130 HydrophobicContact CE1-CG2 3.96Å; Y126-V130 HydrophobicContact CE2-CG2 4.06Å; Y126-V130 WeakPolarHBondContact O-CG2 3.42Å; Y126-V130 PolarHBondContact O-N 2.87Å; Y126-Y147 AromaticContact CE2-CD2 4Å; Y126-Y147 HydrophobicContact CE2-CD2 4Å; Y126-Y147 HydrophobicContact CE2-CE2 4.4Å; Y126-L150 HydrophobicContact CD2-CD2 3.85Å; Y126-L150 HydrophobicContact CG-CD2 4.1Å; Y126-L172 HydrophobicContact CD1-CD2 3.92Å; Y126-L172 HydrophobicContact CE1-CD2 3.49Å; Y126-L172 VanDerWaalsContact CE1-CD2 3.49Å; Y126-L172 HydrophobicContact CE2-CD2 4.26Å; Y126-L172 HydrophobicContact CG-CD2 4.44Å; Y126-Y188 AromaticContact CE1-CE2 3.97Å; Y126-Y188 HydrophobicContact CE1-CE2 3.97Å; Y126-P191 HydrophobicContact CD1-CG 3.85Å; Y126-P191 HydrophobicContact CE1-CG 4.09Å
127D85.3Confident82.5Confident18 Ų1821.4 Ų21.410%0.09610%0.096CC..Hα-helixtrans-61.2-47.9176.7-176.259.3000112.8S123 C124 L125 L129 V130 K131 Y188S123-D127 PolarHBondContact O-N 3.22Å; C124-D127 PolarHBondContact O-N 3.03Å; L125-D127 VanDerWaalsContact C-N 3.3Å; L125-D127 PolarHBondContact O-N 2.58Å; D127-L129 VanDerWaalsContact C-N 3.33Å; D127-L129 PolarHBondContact O-N 3.27Å; D127-V130 PolarHBondContact O-N 3.46Å; D127-K131 WeakPolarHBondContact O-CG 3.46Å; D127-K131 PolarHBondContact O-N 3.4Å; D127-K131 VanDerWaalsContact O-N 3.13Å; D127-K131 IonicContact OD1-NZ 2.67Å; D127-K131 VanDerWaalsContact OD2-CE 3.29Å; D127-K131 WeakPolarHBondContact OD2-CE 3.4Å; D127-K131 IonicContact OD2-NZ 3.44Å; D127-K131 PolarHBondContact OD2-NZ 3.49Å; D127-Y188 VanDerWaalsContact CA-OH 3.25Å; D127-Y188 WeakPolarHBondContact CA-OH 3.24Å; D127-Y188 WeakPolarHBondContact OD1-CE1 3.42Å; D127-Y188 PolarHBondContact OD1-OH 3.37Å
128T82.7Confident81.4Confident9 Ų922.1 Ų22.16%0.05510%0.102CC..Hα-helixtrans-60.2-44175.8-57.90000111.3L53 L58 V76 C124 L125 K131 I132L53-T128 HydrophobicContact CD1-CG2 3.79Å; L58-T128 HydrophobicContact CD1-CG2 4.16Å; V76-T128 HydrophobicContact CG2-CG2 4.25Å; C124-T128 WeakPolarHBondContact O-CB 3.36Å; C124-T128 PolarHBondContact O-N 3.46Å; C124-T128 PolarHBondContact O-OG1 2.93Å; L125-T128 PolarHBondContact O-N 3.4Å; T128-K131 PolarHBondContact O-N 2.78Å; T128-I132 HydrophobicContact CG2-CD1 3.77Å; T128-I132 HydrophobicContact CG2-CG1 4.48Å; T128-I132 WeakPolarHBondContact O-CD1 3.42Å; T128-I132 VanDerWaalsContact O-CG1 3.24Å; T128-I132 WeakPolarHBondContact O-CG1 3.47Å; T128-I132 PolarHBondContact O-N 3.47Å
129L85.5Confident79.9Confident9 Ų926.6 Ų26.65%0.04713%0.133CC..Hα-helixtrans-61.5-46.7179.2-177.562.1000111.5V76 L77 L80 L125 Y126 D127 K131 I132 M133V76-L129 HydrophobicContact CG1-CB 3.78Å; V76-L129 HydrophobicContact CG1-CD1 4.23Å; V76-L129 HydrophobicContact CG1-CG 4.47Å; L77-L129 HydrophobicContact CD1-CD1 4.47Å; L77-L129 HydrophobicContact CD2-CD1 4.29Å; L77-L129 HydrophobicContact CD2-CD2 3.67Å; L77-L129 HydrophobicContact CG-CD1 3.98Å; L77-L129 HydrophobicContact CG-CD2 4.26Å; L80-L129 HydrophobicContact CD1-CD2 3.86Å; L125-L129 VanDerWaalsContact O-CB 3.22Å; L125-L129 WeakPolarHBondContact O-CB 3.42Å; L125-L129 PolarHBondContact O-N 2.98Å; Y126-L129 PolarHBondContact O-N 2.9Å; D127-L129 VanDerWaalsContact C-N 3.33Å; D127-L129 PolarHBondContact O-N 3.27Å; L129-K131 VanDerWaalsContact C-N 3.33Å; L129-K131 PolarHBondContact O-N 3.14Å; L129-I132 PolarHBondContact O-N 2.97Å; L129-M133 HydrophobicContact CD1-CG 4.03Å; L129-M133 HydrophobicContact CG-CG 4.16Å; L129-M133 WeakPolarHBondContact O-CB 3.34Å; L129-M133 WeakPolarHBondContact O-CG 3.25Å; L129-M133 PolarHBondContact O-N 3.21Å
130V83.2Confident78.4Confident1 Ų135.5 Ų35.51%0.00617%0.172CC..Hα-helixtrans-58.4-47.4178.6169.10000110.3Y126 D127 I132 M133 F134 F179 Y188Y126-V130 HydrophobicContact CD1-CG2 4.37Å; Y126-V130 HydrophobicContact CD2-CG2 4.48Å; Y126-V130 HydrophobicContact CE1-CG2 3.96Å; Y126-V130 HydrophobicContact CE2-CG2 4.06Å; Y126-V130 WeakPolarHBondContact O-CG2 3.42Å; Y126-V130 PolarHBondContact O-N 2.87Å; D127-V130 PolarHBondContact O-N 3.46Å; V130-I132 PolarHBondContact O-N 3.15Å; V130-M133 PolarHBondContact O-N 3.44Å; V130-F134 HydrophobicContact CG1-CD2 3.77Å; V130-F134 HydrophobicContact CG1-CE2 3.65Å; V130-F134 VanDerWaalsContact O-CD2 3.27Å; V130-F134 WeakPolarHBondContact O-CD2 3.3Å; V130-F134 PolarHBondContact O-N 2.93Å; V130-F134 VanDerWaalsContact O-N 3.09Å; V130-F179 HydrophobicContact CG1-CE1 4.24Å; V130-F179 HydrophobicContact CG2-CE1 4.41Å; V130-Y188 HydrophobicContact CB-CE1 4.48Å; V130-Y188 HydrophobicContact CB-CE2 4.09Å; V130-Y188 HydrophobicContact CG1-CD1 4.09Å; V130-Y188 HydrophobicContact CG1-CD2 3.77Å; V130-Y188 HydrophobicContact CG1-CE1 4.07Å; V130-Y188 HydrophobicContact CG1-CE2 3.75Å; V130-Y188 HydrophobicContact CG1-CG 3.94Å; V130-Y188 HydrophobicContact CG2-CE2 3.94Å
131K83Confident77.2Confident64 Ų6436.5 Ų36.528%0.27818%0.176SC..Hα-helixtrans-58-43.8176.8-70.7168.1175.9167.50112.6L58 D127 T128 L129 R135 F185L58-K131 HydrophobicContact CD2-CB 3.99Å; L58-K131 HydrophobicContact CD2-CD 4.17Å; D127-K131 WeakPolarHBondContact O-CG 3.46Å; D127-K131 PolarHBondContact O-N 3.4Å; D127-K131 VanDerWaalsContact O-N 3.13Å; D127-K131 IonicContact OD1-NZ 2.67Å; D127-K131 VanDerWaalsContact OD2-CE 3.29Å; D127-K131 WeakPolarHBondContact OD2-CE 3.4Å; D127-K131 IonicContact OD2-NZ 3.44Å; D127-K131 PolarHBondContact OD2-NZ 3.49Å; T128-K131 PolarHBondContact O-N 2.78Å; L129-K131 VanDerWaalsContact C-N 3.33Å; L129-K131 PolarHBondContact O-N 3.14Å; K131-R135 PolarHBondContact O-N 3.03Å; K131-F185 HydrophobicContact CG-CE2 4.44Å
132I80.7Confident76.2Confident0 Ų042.4 Ų42.40%021%0.212CC..Hα-helixtrans-67-42177.5-63.4161.4000111.3L58 W69 L72 A73 V76 T128 L129 V130 F134 R135 L136L58-I132 HydrophobicContact CD1-CG1 4.25Å; W69-I132 HydrophobicContact CB-CG2 4.37Å; W69-I132 HydrophobicContact CE3-CB 4.48Å; W69-I132 HydrophobicContact CE3-CG1 4.03Å; W69-I132 HydrophobicContact CE3-CG2 4.1Å; W69-I132 HydrophobicContact CZ3-CG1 4.16Å; W69-I132 WeakPolarHBondContact O-CG2 3.46Å; L72-I132 HydrophobicContact CB-CD1 4.34Å; L72-I132 HydrophobicContact CD2-CD1 3.59Å; L72-I132 HydrophobicContact CD2-CG1 4.14Å; L72-I132 HydrophobicContact CG-CD1 3.6Å; A73-I132 HydrophobicContact CB-CG2 3.8Å; V76-I132 HydrophobicContact CG2-CD1 4.25Å; T128-I132 HydrophobicContact CG2-CD1 3.77Å; T128-I132 HydrophobicContact CG2-CG1 4.48Å; T128-I132 WeakPolarHBondContact O-CD1 3.42Å; T128-I132 VanDerWaalsContact O-CG1 3.24Å; T128-I132 WeakPolarHBondContact O-CG1 3.47Å; T128-I132 PolarHBondContact O-N 3.47Å; L129-I132 PolarHBondContact O-N 2.97Å; V130-I132 PolarHBondContact O-N 3.15Å; I132-F134 PolarHBondContact O-N 3.03Å; I132-R135 WeakPolarHBondContact O-CB 3.37Å; I132-R135 PolarHBondContact O-N 3.48Å; I132-L136 HydrophobicContact CG2-CD1 3.85Å; I132-L136 HydrophobicContact CG2-CG 4.34Å; I132-L136 PolarHBondContact O-N 2.98Å
133M80.9Confident75.5Confident0 Ų043.7 Ų43.70%022%0.217CC..Hα-helixtrans-64-38-177.4-75.7-64.8-66.400112.6L129 V130 R135 L136 Y137 F141 W143 F179L129-M133 HydrophobicContact CD1-CG 4.03Å; L129-M133 HydrophobicContact CG-CG 4.16Å; L129-M133 WeakPolarHBondContact O-CB 3.34Å; L129-M133 WeakPolarHBondContact O-CG 3.25Å; L129-M133 PolarHBondContact O-N 3.21Å; V130-M133 PolarHBondContact O-N 3.44Å; M133-R135 VanDerWaalsContact C-N 3.33Å; M133-L136 PolarHBondContact O-N 3.23Å; M133-Y137 PolarHBondContact O-N 3.38Å; M133-F141 HydrophobicContact CE-CB 3.79Å; M133-F141 HydrophobicContact SD-CB 4.15Å; M133-F141 HydrophobicContact SD-CD2 4.25Å; M133-F141 HydrophobicContact SD-CG 4.36Å; M133-W143 HydrophobicContact CE-CG 4.43Å; M133-F179 HydrophobicContact CB-CD1 3.81Å; M133-F179 HydrophobicContact CB-CD2 3.9Å; M133-F179 HydrophobicContact CB-CE1 3.81Å; M133-F179 HydrophobicContact CB-CE2 3.84Å; M133-F179 HydrophobicContact CB-CG 3.87Å; M133-F179 HydrophobicContact CB-CZ 3.82Å; M133-F179 HydrophobicContact CE-CD2 3.47Å; M133-F179 VanDerWaalsContact CE-CD2 3.47Å; M133-F179 HydrophobicContact CE-CE2 3.57Å; M133-F179 HydrophobicContact CE-CG 4.37Å; M133-F179 HydrophobicContact CG-CD2 4.4Å; M133-F179 HydrophobicContact CG-CE2 4Å; M133-F179 HydrophobicContact CG-CZ 4.15Å
134F78.9Confident74.7Confident15 Ų1551 Ų517%0.06624%0.243CC..Hα-helixtrans-65.4-33.6171.8-82.9-72.6000112.7V130 I132 F179 D184 F185V130-F134 HydrophobicContact CG1-CD2 3.77Å; V130-F134 HydrophobicContact CG1-CE2 3.65Å; V130-F134 VanDerWaalsContact O-CD2 3.27Å; V130-F134 WeakPolarHBondContact O-CD2 3.3Å; V130-F134 PolarHBondContact O-N 2.93Å; V130-F134 VanDerWaalsContact O-N 3.09Å; I132-F134 PolarHBondContact O-N 3.03Å; F134-F179 HydrophobicContact CD1-CD1 4.38Å; F134-F179 AromaticContact CD2-CD1 3.84Å; F134-F179 HydrophobicContact CD2-CD1 3.84Å; F134-F179 HydrophobicContact CD2-CE1 4.24Å; F134-F179 HydrophobicContact CE1-CD1 4.24Å; F134-F179 AromaticContact CE2-CD1 3.7Å; F134-F179 HydrophobicContact CE2-CD1 3.7Å; F134-F179 AromaticContact CE2-CE1 3.99Å; F134-F179 HydrophobicContact CE2-CE1 3.99Å; F134-F179 HydrophobicContact CG-CD1 4.2Å; F134-F179 AromaticContact CZ-CD1 3.92Å; F134-F179 HydrophobicContact CZ-CD1 3.92Å; F134-D184 HydrophobicContact CE1-CB 4.39Å; F134-D184 HydrophobicContact CZ-CB 4.12Å; F134-F185 HydrophobicContact CB-CD2 4.09Å; F134-F185 HydrophobicContact CB-CE2 4.4Å; F134-F185 HydrophobicContact CD1-CB 3.85Å; F134-F185 HydrophobicContact CD1-CD2 4.25Å; F134-F185 HydrophobicContact CD1-CG 4.35Å; F134-F185 HydrophobicContact CD2-CB 4.2Å; F134-F185 AromaticContact CD2-CD2 3.2Å; F134-F185 HydrophobicContact CD2-CD2 3.2Å; F134-F185 AromaticContact CD2-CE2 3.87Å; F134-F185 HydrophobicContact CD2-CE2 3.87Å; F134-F185 HydrophobicContact CD2-CG 4.07Å; F134-F185 HydrophobicContact CE1-CB 3.72Å; F134-F185 HydrophobicContact CE2-CB 4.06Å; F134-F185 AromaticContact CE2-CD2 3.55Å; F134-F185 HydrophobicContact CE2-CD2 3.55Å; F134-F185 HydrophobicContact CE2-CE2 4.48Å; F134-F185 HydrophobicContact CE2-CG 4.28Å; F134-F185 HydrophobicContact CG-CB 4.08Å; F134-F185 AromaticContact CG-CD2 3.6Å; F134-F185 HydrophobicContact CG-CD2 3.6Å; F134-F185 HydrophobicContact CG-CE2 4.31Å; F134-F185 HydrophobicContact CG-CG 4.09Å; F134-F185 HydrophobicContact CZ-CB 3.82Å; F134-F185 HydrophobicContact CZ-CD2 4.21Å
135R78.2Confident74.3Confident73 Ų7353.7 Ų53.728%0.27526%0.262SS..Hα-helixtrans-72.3-32.2174.8-70.4-168177.4123.5-5113.5E59 W69 K131 I132 M133 Y137E59-R135 IonicContact OE1-NH2 3.11Å; E59-R135 PolarHBondContact OE1-NH2 3.24Å; W69-R135 VanDerWaalsContact CZ2-CD 3.4Å; K131-R135 PolarHBondContact O-N 3.03Å; I132-R135 WeakPolarHBondContact O-CB 3.37Å; I132-R135 PolarHBondContact O-N 3.48Å; M133-R135 VanDerWaalsContact C-N 3.33Å; R135-Y137 VanDerWaalsContact C-N 3.35Å
136L75.4Confident74.1Confident26 Ų2654.5 Ų54.514%0.13627%0.268CS..Hα-helixtrans-78.6-15.2178.5-76.7171.1000113.7V66 W69 F70 A73 I132 M133 S138V66-L136 HydrophobicContact CG1-CD2 3.91Å; W69-L136 HydrophobicContact CB-CD1 4.39Å; W69-L136 HydrophobicContact CB-CD2 3.63Å; W69-L136 HydrophobicContact CB-CG 3.91Å; F70-L136 HydrophobicContact CB-CD2 4.36Å; A73-L136 HydrophobicContact CB-CD1 3.96Å; I132-L136 HydrophobicContact CG2-CD1 3.85Å; I132-L136 HydrophobicContact CG2-CG 4.34Å; I132-L136 PolarHBondContact O-N 2.98Å; M133-L136 PolarHBondContact O-N 3.23Å; L136-S138 WeakPolarHBondContact O-CB 3.4Å; L136-S138 PolarHBondContact O-N 3.24Å
137Y67.9Low74Confident161 Ų16154.3 Ų54.363%0.63127%0.267SS*.THydrogen-bonded Turntrans4629.1-174.3-71.4-86.4000113.6M133 R135M133-Y137 PolarHBondContact O-N 3.38Å; R135-Y137 VanDerWaalsContact C-N 3.35Å
138S58.5Low74.1Confident24 Ų2459.5 Ų59.517%0.16829%0.285CS..  trans-109.4105.1-163.3-169.40000111L136 K140L136-S138 WeakPolarHBondContact O-CB 3.4Å; L136-S138 PolarHBondContact O-N 3.24Å; S138-K140 PolarHBondContact O-N 3.32Å; S138-K140 WeakPolarHBondContact OG-CB 3.45Å; S138-K140 PolarHBondContact OG-N 2.83Å
139S53Low74.2Confident94 Ų9460.5 Ų60.566%0.65729%0.293SS*.THydrogen-bonded Turntrans-67.6-5.1165.557.90000113.1
140K55.8Low74.4Confident188 Ų18860.3 Ų60.382%0.81729%0.292SS*.THydrogen-bonded Turntrans-77.3-18.3-174.1-61.1-179.1178.9173.60114.1S138S138-K140 PolarHBondContact O-N 3.32Å; S138-K140 WeakPolarHBondContact OG-CB 3.45Å; S138-K140 PolarHBondContact OG-N 2.83Å
141F57.9Low74.7Confident35 Ų3563.3 Ų63.315%0.15430%0.303CS..SBendtrans-78.8125.8174.6-96.9-81.4000110.8F70 A73 V74 L77 M133 W143F70-F141 AromaticContact CD2-CE2 3.47Å; F70-F141 HydrophobicContact CD2-CE2 3.47Å; F70-F141 VanDerWaalsContact CD2-CE2 3.47Å; F70-F141 AromaticContact CD2-CZ 3.94Å; F70-F141 HydrophobicContact CD2-CZ 3.94Å; F70-F141 HydrophobicContact CE1-CZ 4.47Å; F70-F141 HydrophobicContact CE2-CD2 4.25Å; F70-F141 AromaticContact CE2-CE2 3.23Å; F70-F141 HydrophobicContact CE2-CE2 3.23Å; F70-F141 AromaticContact CE2-CZ 3.48Å; F70-F141 HydrophobicContact CE2-CZ 3.48Å; F70-F141 VanDerWaalsContact CE2-CZ 3.48Å; F70-F141 HydrophobicContact CG-CE2 4.41Å; F70-F141 HydrophobicContact CZ-CE2 4.02Å; F70-F141 AromaticContact CZ-CZ 3.77Å; F70-F141 HydrophobicContact CZ-CZ 3.77Å; A73-F141 HydrophobicContact CB-CE2 4.37Å; A73-F141 HydrophobicContact CB-CZ 4.38Å; V74-F141 HydrophobicContact CG2-CE1 4.04Å; V74-F141 HydrophobicContact CG2-CZ 3.64Å; L77-F141 HydrophobicContact CD1-CD1 3.48Å; L77-F141 VanDerWaalsContact CD1-CD1 3.48Å; L77-F141 HydrophobicContact CD1-CE1 3.52Å; L77-F141 HydrophobicContact CD1-CG 4.44Å; L77-F141 HydrophobicContact CD1-CZ 4.5Å; M133-F141 HydrophobicContact CE-CB 3.79Å; M133-F141 HydrophobicContact SD-CB 4.15Å; M133-F141 HydrophobicContact SD-CD2 4.25Å; M133-F141 HydrophobicContact SD-CG 4.36Å; F141-W143 VanDerWaalsContact O-CD1 3.29Å; F141-W143 PolarHBondContact O-N 3.43Å
142T63.6Low74.9Confident127 Ų12766.1 Ų66.178%0.77932%0.317SS*.  trans-73.757.7169.711.90000111.5R144T142-R144 PolarHBondContact O-N 2.87Å
143W71.8Confident75.3Confident27 Ų2766.2 Ų66.210%0.10232%0.317CS..THydrogen-bonded Turntrans-74.3-11.4-179.774.7-88.2000113.3M133 F141 S145 P146 Y147 P176 P177 F179M133-W143 HydrophobicContact CE-CG 4.43Å; F141-W143 VanDerWaalsContact O-CD1 3.29Å; F141-W143 PolarHBondContact O-N 3.43Å; W143-S145 VanDerWaalsContact C-N 3.31Å; W143-S145 PolarHBondContact O-N 3.46Å; W143-P146 VanDerWaalsContact O-CD 3.31Å; W143-P146 WeakPolarHBondContact O-CD 3.46Å; W143-Y147 HydrophobicContact CE3-CD2 4.43Å; W143-Y147 HydrophobicContact CE3-CG 4.28Å; W143-Y147 HydrophobicContact CH2-CD2 4.41Å; W143-Y147 AromaticContact CZ3-CD2 3.6Å; W143-Y147 HydrophobicContact CZ3-CD2 3.6Å; W143-Y147 HydrophobicContact CZ3-CE2 4.35Å; W143-Y147 AromaticContact CZ3-CG 3.72Å; W143-Y147 HydrophobicContact CZ3-CG 3.72Å; W143-Y147 WeakPolarHBondContact O-CB 3.46Å; W143-Y147 PolarHBondContact O-N 3.09Å; W143-Y147 VanDerWaalsContact O-N 3.14Å; W143-P176 VanDerWaalsContact CH2-CA 3.45Å; W143-P176 HydrophobicContact CH2-CB 2.94Å; W143-P176 HydrophobicContact CH2-CG 4.36Å; W143-P176 HydrophobicContact CZ2-CB 3.29Å; W143-P176 HydrophobicContact CZ2-CG 4.43Å; W143-P176 HydrophobicContact CZ3-CB 3.71Å; W143-P177 HydrophobicContact CH2-CG 3.74Å; W143-P177 WeakPolarHBondContact CH2-O 3.38Å; W143-P177 WeakPolarHBondContact CZ2-O 3.44Å; W143-P177 HydrophobicContact CZ3-CG 4.34Å; W143-F179 AromaticContact CD1-CE2 3.67Å; W143-F179 AromaticContact CD2-CE2 3.55Å; W143-F179 HydrophobicContact CD2-CE2 3.55Å; W143-F179 HydrophobicContact CD2-CZ 4.13Å; W143-F179 AromaticContact CE2-CD2 3.93Å; W143-F179 AromaticContact CE2-CE2 3.22Å; W143-F179 AromaticContact CE2-CZ 3.96Å; W143-F179 HydrophobicContact CE3-CE2 4.15Å; W143-F179 HydrophobicContact CE3-CZ 4.28Å; W143-F179 AromaticContact CG-CE2 3.82Å; W143-F179 HydrophobicContact CG-CE2 3.82Å; W143-F179 AromaticContact CH2-CE2 3.98Å; W143-F179 HydrophobicContact CH2-CE2 3.98Å; W143-F179 AromaticContact CH2-CZ 3.9Å; W143-F179 HydrophobicContact CH2-CZ 3.9Å; W143-F179 HydrophobicContact CZ2-CD2 4.17Å; W143-F179 AromaticContact CZ2-CE2 3.49Å; W143-F179 HydrophobicContact CZ2-CE2 3.49Å; W143-F179 VanDerWaalsContact CZ2-CE2 3.49Å; W143-F179 AromaticContact CZ2-CZ 3.87Å; W143-F179 HydrophobicContact CZ2-CZ 3.87Å; W143-F179 HydrophobicContact CZ3-CE2 4.34Å; W143-F179 HydrophobicContact CZ3-CZ 4.16Å; W143-F179 AromaticContact NE1-CD2 3.67Å; W143-F179 AromaticContact NE1-CE2 3.35Å
144R70.2Confident75.8Confident163 Ų16366.4 Ų66.462%0.61532%0.318SS*.Hα-helixtrans-56.2-41.5179.5-69.7-178.4174.9-109.4-1.6112.5T142 Y147 W148T142-R144 PolarHBondContact O-N 2.87Å; R144-Y147 PolarHBondContact O-N 3Å; R144-W148 PolarHBondContact O-N 3.41Å
145S76Confident76.2Confident82 Ų8268.4 Ų68.457%0.57333%0.334SS*.Hα-helixtrans-69-49.2-177.4173.80000113.1W143 Y147 W148 S149W143-S145 VanDerWaalsContact C-N 3.31Å; W143-S145 PolarHBondContact O-N 3.46Å; S145-Y147 VanDerWaalsContact C-N 3.29Å; S145-Y147 PolarHBondContact O-N 3.19Å; S145-W148 PolarHBondContact O-N 2.95Å; S145-S149 PolarHBondContact O-N 3.39Å; S145-S149 VanDerWaalsContact O-N 3.12Å; S145-S149 PolarHBondContact O-OG 3.34Å
146P79.7Confident76.5Confident20 Ų2067 Ų6713%0.1334%0.335CS..Hα-helixtrans-54.8-42.2171.2-27.932.7000113.3L77 W143 S149 L150L77-P146 HydrophobicContact CD2-CB 4.31Å; L77-P146 HydrophobicContact CD2-CG 4Å; W143-P146 VanDerWaalsContact O-CD 3.31Å; W143-P146 WeakPolarHBondContact O-CD 3.46Å; P146-S149 PolarHBondContact O-N 2.84Å; P146-L150 WeakPolarHBondContact O-CB 3.43Å; P146-L150 PolarHBondContact O-N 3.42Å
147Y86.1Confident77Confident5 Ų565.9 Ų65.92%0.0233%0.329CS..Hα-helixtrans-59.7-50.4179.2174.1-96.9000113.2Y126 W143 R144 S145 S149 L150 R151 L172 P173 K175 P176Y126-Y147 AromaticContact CE2-CD2 4Å; Y126-Y147 HydrophobicContact CE2-CD2 4Å; Y126-Y147 HydrophobicContact CE2-CE2 4.4Å; W143-Y147 HydrophobicContact CE3-CD2 4.43Å; W143-Y147 HydrophobicContact CE3-CG 4.28Å; W143-Y147 HydrophobicContact CH2-CD2 4.41Å; W143-Y147 AromaticContact CZ3-CD2 3.6Å; W143-Y147 HydrophobicContact CZ3-CD2 3.6Å; W143-Y147 HydrophobicContact CZ3-CE2 4.35Å; W143-Y147 AromaticContact CZ3-CG 3.72Å; W143-Y147 HydrophobicContact CZ3-CG 3.72Å; W143-Y147 WeakPolarHBondContact O-CB 3.46Å; W143-Y147 PolarHBondContact O-N 3.09Å; W143-Y147 VanDerWaalsContact O-N 3.14Å; R144-Y147 PolarHBondContact O-N 3Å; S145-Y147 VanDerWaalsContact C-N 3.29Å; S145-Y147 PolarHBondContact O-N 3.19Å; Y147-S149 VanDerWaalsContact C-N 3.29Å; Y147-S149 PolarHBondContact O-N 3.26Å; Y147-L150 PolarHBondContact O-N 3Å; Y147-R151 WeakPolarHBondContact O-CB 3.4Å; Y147-R151 PolarHBondContact O-N 3.33Å; Y147-L172 HydrophobicContact CE2-CB 4.48Å; Y147-L172 HydrophobicContact CE2-CD1 4.47Å; Y147-P173 PolarHBondContact OH-O 2.96Å; Y147-K175 VanDerWaalsContact OH-C 3.24Å; Y147-K175 PolarHBondContact OH-O 3.36Å; Y147-P176 HydrophobicContact CD1-CB 4.04Å; Y147-P176 HydrophobicContact CD1-CG 4.42Å; Y147-P176 HydrophobicContact CE1-CB 3.95Å; Y147-P176 HydrophobicContact CE1-CG 4.25Å; Y147-P176 HydrophobicContact CG-CB 4.37Å
148W86.5Confident77.9Confident126 Ų12661 Ų6148%0.47732%0.319SS..Hα-helixtrans-64.7-36.1178.8-71.6115.7000112.2R144 S145 Q152R144-W148 PolarHBondContact O-N 3.41Å; S145-W148 PolarHBondContact O-N 2.95Å; W148-Q152 WeakPolarHBondContact O-CB 3.48Å; W148-Q152 PolarHBondContact O-N 3.03Å
149S86.3Confident79Confident31 Ų3165.8 Ų65.822%0.21734%0.343CS..Hα-helixtrans-67-41.3176.4-610000111.8S145 P146 Y147 Q152 F153S145-S149 PolarHBondContact O-N 3.39Å; S145-S149 VanDerWaalsContact O-N 3.12Å; S145-S149 PolarHBondContact O-OG 3.34Å; P146-S149 PolarHBondContact O-N 2.84Å; Y147-S149 VanDerWaalsContact C-N 3.29Å; Y147-S149 PolarHBondContact O-N 3.26Å; S149-Q152 PolarHBondContact O-N 3.5Å; S149-F153 PolarHBondContact O-N 3.2Å
150L89.7Confident80.3Confident4 Ų463.4 Ų63.42%0.02132%0.322CS..Hα-helixtrans-67.2-42.5176.7-174.861.8000111.9L80 L84 Y126 P146 Y147 Q152 F153 Y154 L172L80-L150 HydrophobicContact CD2-CD2 4.5Å; L84-L150 HydrophobicContact CD2-CD1 4.48Å; Y126-L150 HydrophobicContact CD2-CD2 3.85Å; Y126-L150 HydrophobicContact CG-CD2 4.1Å; P146-L150 WeakPolarHBondContact O-CB 3.43Å; P146-L150 PolarHBondContact O-N 3.42Å; Y147-L150 PolarHBondContact O-N 3Å; L150-Q152 VanDerWaalsContact C-N 3.34Å; L150-Q152 PolarHBondContact O-N 3.25Å; L150-F153 HydrophobicContact CD1-CD1 4.04Å; L150-F153 WeakPolarHBondContact O-CB 3.46Å; L150-F153 PolarHBondContact O-N 3.32Å; L150-Y154 HydrophobicContact CD1-CE1 3.87Å; L150-Y154 HydrophobicContact CD1-CE2 4.13Å; L150-Y154 HydrophobicContact CD2-CE2 4.28Å; L150-Y154 HydrophobicContact CG-CD2 4.44Å; L150-Y154 HydrophobicContact CG-CE2 3.89Å; L150-Y154 PolarHBondContact O-N 3.43Å; L150-L172 HydrophobicContact CB-CD1 4.26Å; L150-L172 HydrophobicContact CD2-CD1 3.97Å; L150-L172 HydrophobicContact CG-CD1 3.86Å
151R89.2Confident81.3Confident65 Ų6559.6 Ų59.625%0.24531%0.308CS..Hα-helixtrans-60.9-43.2173.8-176.1176.3175.4-171.3-0.7112Y147 F153 Y154 S155 L172 P173 E174Y147-R151 WeakPolarHBondContact O-CB 3.4Å; Y147-R151 PolarHBondContact O-N 3.33Å; R151-F153 VanDerWaalsContact C-N 3.32Å; R151-F153 PolarHBondContact O-N 3.45Å; R151-Y154 PolarHBondContact O-N 3.37Å; R151-S155 WeakPolarHBondContact O-CB 3.47Å; R151-S155 PolarHBondContact O-N 2.89Å; R151-L172 HydrophobicContact CB-CB 4.49Å; R151-L172 HydrophobicContact CB-CD1 4.2Å; R151-L172 HydrophobicContact CG-CB 4.43Å; R151-P173 PolarHBondContact NH1-O 3.47Å; R151-E174 VanDerWaalsContact NH1-C 3.33Å; R151-E174 VanDerWaalsContact NH1-CA 3.27Å; R151-E174 PolarHBondContact NH1-O 3.27Å
152Q87.5Confident82.5Confident123 Ų12359.7 Ų59.758%0.57531%0.307SS*.Hα-helixtrans-62.7-40175-175.763.626.200111.5W148 S149 L150 S156W148-Q152 WeakPolarHBondContact O-CB 3.48Å; W148-Q152 PolarHBondContact O-N 3.03Å; S149-Q152 PolarHBondContact O-N 3.5Å; L150-Q152 VanDerWaalsContact C-N 3.34Å; L150-Q152 PolarHBondContact O-N 3.25Å; Q152-S156 PolarHBondContact NE2-OG 3.12Å; Q152-S156 VanDerWaalsContact O-CB 3.3Å; Q152-S156 WeakPolarHBondContact O-CB 3.47Å; Q152-S156 PolarHBondContact O-N 2.85Å; Q152-S156 PolarHBondContact O-OG 3.48Å
153F89.2Confident83.5Confident1 Ų153.7 Ų53.70%0.00427%0.27CS..Hα-helixtrans-58.7-53.7174.7167.4-144.2000111.2I83 L84 Q87 C118 I119 S149 L150 R151 S155 S156 S157I83-F153 HydrophobicContact CG2-CE1 4.46Å; L84-F153 HydrophobicContact CD2-CB 4.19Å; Q87-F153 HydrophobicContact CB-CD2 4.34Å; Q87-F153 HydrophobicContact CB-CE2 4.31Å; Q87-F153 HydrophobicContact CG-CB 4.2Å; Q87-F153 HydrophobicContact CG-CD1 4.39Å; Q87-F153 HydrophobicContact CG-CD2 3.17Å; Q87-F153 HydrophobicContact CG-CE2 3.41Å; Q87-F153 VanDerWaalsContact CG-CE2 3.41Å; Q87-F153 HydrophobicContact CG-CG 3.69Å; Q87-F153 HydrophobicContact CG-CZ 4.13Å; C118-F153 HydrophobicContact CB-CZ 4.25Å; I119-F153 HydrophobicContact CD1-CZ 4.35Å; I119-F153 HydrophobicContact CG1-CE1 3.89Å; I119-F153 HydrophobicContact CG1-CE2 4.17Å; I119-F153 HydrophobicContact CG1-CZ 3.46Å; I119-F153 VanDerWaalsContact CG1-CZ 3.46Å; S149-F153 PolarHBondContact O-N 3.2Å; L150-F153 HydrophobicContact CD1-CD1 4.04Å; L150-F153 WeakPolarHBondContact O-CB 3.46Å; L150-F153 PolarHBondContact O-N 3.32Å; R151-F153 VanDerWaalsContact C-N 3.32Å; R151-F153 PolarHBondContact O-N 3.45Å; F153-S155 PolarHBondContact O-N 3.18Å; F153-S156 PolarHBondContact O-N 3.04Å; F153-S157 VanDerWaalsContact CD2-OG 3.28Å; F153-S157 WeakPolarHBondContact CD2-OG 3.47Å; F153-S157 WeakPolarHBondContact CE2-OG 3.48Å; F153-S157 WeakPolarHBondContact O-CB 3.36Å; F153-S157 PolarHBondContact O-N 3.25Å; F153-S157 PolarHBondContact O-OG 3.14Å; F153-S157 VanDerWaalsContact O-OG 3.11Å
154Y90Very high83.9Confident5 Ų558.4 Ų58.42%0.0229%0.292CS..Hα-helixtrans-61.2-43.8-180-65.7-21.3000112.7I119 S122 S123 L150 R151 S156 S157 S158 V169 P170 L172I119-Y154 HydrophobicContact CG2-CE1 4.29Å; S122-Y154 WeakPolarHBondContact OG-CE1 3.3Å; S122-Y154 PolarHBondContact OG-OH 3.48Å; S123-Y154 WeakPolarHBondContact CA-OH 3.38Å; S123-Y154 PolarHBondContact N-OH 3.33Å; L150-Y154 HydrophobicContact CD1-CE1 3.87Å; L150-Y154 HydrophobicContact CD1-CE2 4.13Å; L150-Y154 HydrophobicContact CD2-CE2 4.28Å; L150-Y154 HydrophobicContact CG-CD2 4.44Å; L150-Y154 HydrophobicContact CG-CE2 3.89Å; L150-Y154 PolarHBondContact O-N 3.43Å; R151-Y154 PolarHBondContact O-N 3.37Å; Y154-S156 VanDerWaalsContact C-N 3.32Å; Y154-S156 PolarHBondContact O-N 3Å; Y154-S157 PolarHBondContact O-N 3.02Å; Y154-S158 WeakPolarHBondContact O-CB 3.33Å; Y154-S158 PolarHBondContact O-N 3.37Å; Y154-S158 PolarHBondContact O-OG 3.02Å; Y154-V169 HydrophobicContact CD1-CG1 4.11Å; Y154-V169 HydrophobicContact CG-CG1 4.2Å; Y154-P170 WeakPolarHBondContact CB-O 3.31Å; Y154-P170 HydrophobicContact CD1-CG 4.29Å; Y154-P170 HydrophobicContact CD2-CG 3.93Å; Y154-P170 VanDerWaalsContact CD2-O 3.31Å; Y154-P170 WeakPolarHBondContact CD2-O 3.35Å; Y154-P170 HydrophobicContact CE1-CG 3.94Å; Y154-P170 HydrophobicContact CE2-CB 4.38Å; Y154-P170 HydrophobicContact CE2-CG 3.57Å; Y154-P170 HydrophobicContact CG-CG 4.28Å; Y154-L172 HydrophobicContact CD2-CD1 3.78Å; Y154-L172 HydrophobicContact CD2-CG 3.77Å; Y154-L172 HydrophobicContact CE2-CD1 3.75Å; Y154-L172 HydrophobicContact CE2-CD2 4.32Å; Y154-L172 HydrophobicContact CE2-CG 3.8Å
155S87.4Confident84.1Confident56 Ų5658.3 Ų58.339%0.39229%0.292SS..Hα-helixtrans-63.4-36.6176.5179.70000112.8R151 F153 S158 N159R151-S155 WeakPolarHBondContact O-CB 3.47Å; R151-S155 PolarHBondContact O-N 2.89Å; F153-S155 PolarHBondContact O-N 3.18Å; S155-S158 PolarHBondContact O-OG 3.29Å; S155-N159 VanDerWaalsContact O-CG 3.3Å; S155-N159 PolarHBondContact O-ND2 3.37Å; S155-N159 VanDerWaalsContact O-ND2 3.13Å
156S85.3Confident84.3Confident44 Ų4455.9 Ų55.931%0.30827%0.273SS..Hα-helixtrans-70.5-39.2176.5-55.50000111.3Q152 F153 Y154Q152-S156 PolarHBondContact NE2-OG 3.12Å; Q152-S156 VanDerWaalsContact O-CB 3.3Å; Q152-S156 WeakPolarHBondContact O-CB 3.47Å; Q152-S156 PolarHBondContact O-N 2.85Å; Q152-S156 PolarHBondContact O-OG 3.48Å; F153-S156 PolarHBondContact O-N 3.04Å; Y154-S156 VanDerWaalsContact C-N 3.32Å; Y154-S156 PolarHBondContact O-N 3Å
157S86.2Confident84.5Confident2 Ų255 Ų551%0.01427%0.267CS..Hα-helixtrans-70.1-40.3178.4-65.40000112.3F153 Y154 N159 L160 F163F153-S157 VanDerWaalsContact CD2-OG 3.28Å; F153-S157 WeakPolarHBondContact CD2-OG 3.47Å; F153-S157 WeakPolarHBondContact CE2-OG 3.48Å; F153-S157 WeakPolarHBondContact O-CB 3.36Å; F153-S157 PolarHBondContact O-N 3.25Å; F153-S157 PolarHBondContact O-OG 3.14Å; F153-S157 VanDerWaalsContact O-OG 3.11Å; Y154-S157 PolarHBondContact O-N 3.02Å; S157-N159 PolarHBondContact O-N 3.48Å; S157-N159 VanDerWaalsContact O-N 3.16Å; S157-L160 WeakPolarHBondContact O-CB 3.38Å; S157-L160 PolarHBondContact O-N 2.9Å; S157-F163 WeakPolarHBondContact O-CD2 3.44Å
158S85.6Confident84.4Confident60 Ų6056.7 Ų56.742%0.4228%0.28SS..Hα-helixtrans-61.7-25.7178.561.90000113.2Y154 S155 L160Y154-S158 WeakPolarHBondContact O-CB 3.33Å; Y154-S158 PolarHBondContact O-N 3.37Å; Y154-S158 PolarHBondContact O-OG 3.02Å; S155-S158 PolarHBondContact O-OG 3.29Å; S158-L160 VanDerWaalsContact C-N 3.32Å
159N81.8Confident84.3Confident124 Ų12452.1 Ų52.166%0.66327%0.266SS*.THydrogen-bonded Turntrans-80.2-10.4177.8-66.6-20.5000113.5S155 S157S155-N159 VanDerWaalsContact O-CG 3.3Å; S155-N159 PolarHBondContact O-ND2 3.37Å; S155-N159 VanDerWaalsContact O-ND2 3.13Å; S157-N159 PolarHBondContact O-N 3.48Å; S157-N159 VanDerWaalsContact O-N 3.16Å
160L80Confident84.2Confident43 Ų4351 Ų5123%0.22526%0.258CS..  trans-86.6120-179.4-66.1172.9000110.6L112 S157 S158 Y162 F163L112-L160 HydrophobicContact CD1-CD1 4.33Å; L112-L160 HydrophobicContact CD2-CD1 3.95Å; S157-L160 WeakPolarHBondContact O-CB 3.38Å; S157-L160 PolarHBondContact O-N 2.9Å; S158-L160 VanDerWaalsContact C-N 3.32Å; L160-Y162 PolarHBondContact O-N 3.28Å; L160-F163 HydrophobicContact CB-CD2 4.02Å; L160-F163 HydrophobicContact CB-CE2 4.42Å; L160-F163 HydrophobicContact CD1-CD2 4.08Å; L160-F163 HydrophobicContact CD1-CE2 3.66Å; L160-F163 PolarHBondContact O-N 3.19Å
161Q77.5Confident83.9Confident109 Ų10958.1 Ų58.151%0.50930%0.295SS..THydrogen-bonded Turntrans-53.4-29.5177.5-69.3-66.3-12.700113.2M104 F163 K164M104-Q161 HydrophobicContact CE-CB 3.53Å; M104-Q161 HydrophobicContact SD-CB 3.71Å; Q161-F163 VanDerWaalsContact C-N 3.34Å; Q161-F163 PolarHBondContact O-N 3.13Å; Q161-K164 PolarHBondContact O-N 3.21Å
162Y82.6Confident83.6Confident36 Ų3655.9 Ų55.914%0.14129%0.288CS..THydrogen-bonded Turntrans-62-38.2179.9177.7-119.2000112.7Q109 L112 I116 L160 L166Q109-Y162 HydrophobicContact CB-CD2 3.94Å; Q109-Y162 HydrophobicContact CB-CE2 3.52Å; Q109-Y162 HydrophobicContact CG-CD2 3.44Å; Q109-Y162 VanDerWaalsContact CG-CD2 3.44Å; Q109-Y162 HydrophobicContact CG-CE2 3.52Å; Q109-Y162 HydrophobicContact CG-CG 4.21Å; L112-Y162 HydrophobicContact CB-CD1 3.57Å; L112-Y162 HydrophobicContact CB-CE1 3.68Å; L112-Y162 HydrophobicContact CD1-CD1 3.95Å; L112-Y162 HydrophobicContact CD1-CG 4.32Å; L112-Y162 HydrophobicContact CG-CD1 4.42Å; I116-Y162 HydrophobicContact CD1-CE1 4.23Å; L160-Y162 PolarHBondContact O-N 3.28Å; Y162-L166 HydrophobicContact CD1-CD1 4.31Å; Y162-L166 HydrophobicContact CD2-CD1 3.78Å; Y162-L166 HydrophobicContact CE1-CD1 3.92Å; Y162-L166 HydrophobicContact CE2-CD1 3.34Å; Y162-L166 HydrophobicContact CG-CD1 4.26Å; Y162-L166 VanDerWaalsContact CZ-CD1 3.41Å; Y162-L166 VanDerWaalsContact O-CD1 3.26Å; Y162-L166 WeakPolarHBondContact O-CD1 3.44Å
163F84.5Confident83.3Confident2 Ų253.4 Ų53.41%0.00928%0.282CS..THydrogen-bonded Turntrans-83.4-20.3-175.3-64.7-40.8000113.9L112 L115 I116 I119 S157 L160 Q161 Y165 L166 V167 V169L112-F163 HydrophobicContact CB-CE1 4.32Å; L112-F163 HydrophobicContact CB-CZ 4.05Å; L112-F163 HydrophobicContact CD2-CZ 4.24Å; L115-F163 HydrophobicContact CB-CZ 3.79Å; L115-F163 HydrophobicContact CD1-CZ 4.17Å; I116-F163 HydrophobicContact CD1-CE1 4.43Å; I116-F163 HydrophobicContact CG1-CD1 3.95Å; I116-F163 HydrophobicContact CG1-CE1 3.67Å; I119-F163 HydrophobicContact CD1-CE2 4.49Å; S157-F163 WeakPolarHBondContact O-CD2 3.44Å; L160-F163 HydrophobicContact CB-CD2 4.02Å; L160-F163 HydrophobicContact CB-CE2 4.42Å; L160-F163 HydrophobicContact CD1-CD2 4.08Å; L160-F163 HydrophobicContact CD1-CE2 3.66Å; L160-F163 PolarHBondContact O-N 3.19Å; Q161-F163 VanDerWaalsContact C-N 3.34Å; Q161-F163 PolarHBondContact O-N 3.13Å; F163-Y165 PolarHBondContact O-N 2.95Å; F163-L166 PolarHBondContact O-N 3.4Å; F163-V167 HydrophobicContact CB-CG1 3.96Å; F163-V167 HydrophobicContact CD1-CG1 4.09Å; F163-V167 HydrophobicContact CG-CG1 4.19Å; F163-V167 PolarHBondContact O-N 3.21Å; F163-V167 VanDerWaalsContact O-N 3.08Å; F163-V167 VanDerWaalsContact O-O 3.13Å; F163-V169 HydrophobicContact CB-CG2 4.4Å
164K79.9Confident82.7Confident126 Ų12660.6 Ų60.655%0.54832%0.316SS..THydrogen-bonded Turntrans-49.9-35.6-174.2-173.2177.5178.7-172.40114.2Q161Q161-K164 PolarHBondContact O-N 3.21Å
165Y75.8Confident82Confident160 Ų16068.4 Ų68.463%0.62735%0.35SS*.THydrogen-bonded Turntrans-112.44.8-177.7-56.2-77000113.8F163F163-Y165 PolarHBondContact O-N 2.95Å
166L80.3Confident81.6Confident31 Ų3167.1 Ų67.116%0.16234%0.34CS..THydrogen-bonded Turntrans-113.3-37.1-175.1-66.7177.1000112.4I116 Y162 F163 H196 Q198I116-L166 HydrophobicContact CD1-CB 4.27Å; I116-L166 HydrophobicContact CD1-CD1 4.03Å; Y162-L166 HydrophobicContact CD1-CD1 4.31Å; Y162-L166 HydrophobicContact CD2-CD1 3.78Å; Y162-L166 HydrophobicContact CE1-CD1 3.92Å; Y162-L166 HydrophobicContact CE2-CD1 3.34Å; Y162-L166 HydrophobicContact CG-CD1 4.26Å; Y162-L166 VanDerWaalsContact CZ-CD1 3.41Å; Y162-L166 VanDerWaalsContact O-CD1 3.26Å; Y162-L166 WeakPolarHBondContact O-CD1 3.44Å; F163-L166 PolarHBondContact O-N 3.4Å; L166-H196 PolarHBondContact O-N 2.98Å; L166-H196 VanDerWaalsContact O-N 3.15Å; L166-Q198 HydrophobicContact CD2-CG 4.42Å
167V83.9Confident81.1Confident3 Ų366 Ų662%0.01833%0.332CS..BIsolated β-bridgetrans-149.4133.9-176.562.30000110.6I116 I119 F163 V169 V193 L195I116-V167 HydrophobicContact CG2-CB 4.3Å; I119-V167 HydrophobicContact CD1-CG1 4.09Å; I119-V167 HydrophobicContact CG2-CG2 4.31Å; F163-V167 HydrophobicContact CB-CG1 3.96Å; F163-V167 HydrophobicContact CD1-CG1 4.09Å; F163-V167 HydrophobicContact CG-CG1 4.19Å; F163-V167 PolarHBondContact O-N 3.21Å; F163-V167 VanDerWaalsContact O-N 3.08Å; F163-V167 VanDerWaalsContact O-O 3.13Å; V167-V169 HydrophobicContact CG1-CG2 4.25Å; V167-V169 PolarHBondContact O-N 3.35Å; V167-V193 HydrophobicContact CG2-CG1 3.62Å; V167-L195 HydrophobicContact CB-CD2 4.17Å; V167-L195 HydrophobicContact CG2-CD2 4.21Å
168S83.3Confident80.4Confident40 Ų4069.2 Ų69.228%0.2835%0.349SS..  trans-76.7101.1169.9710000109.3M194S168-M194 PolarHBondContact N-O 3.38Å; S168-M194 PolarHBondContact OG-N 3.09Å; S168-M194 PolarHBondContact OG-O 3.36Å
169V85.4Confident79.8Confident30 Ų3066.9 Ų66.918%0.18233%0.331CS..PPolyproline II helixtrans-68.8126-180-172.20000109.7I119 Y154 F163 V167I119-V169 HydrophobicContact CD1-CG2 4.2Å; Y154-V169 HydrophobicContact CD1-CG1 4.11Å; Y154-V169 HydrophobicContact CG-CG1 4.2Å; F163-V169 HydrophobicContact CB-CG2 4.4Å; V167-V169 HydrophobicContact CG1-CG2 4.25Å; V167-V169 PolarHBondContact O-N 3.35Å
170P84Confident78.8Confident7 Ų764.6 Ų64.65%0.04533%0.325CS..PPolyproline II helixtrans-71.5147.1-177.428.2-32.4000111.6I119 Y154 P191 V193I119-P170 HydrophobicContact CG2-CG 4.47Å; Y154-P170 WeakPolarHBondContact CB-O 3.31Å; Y154-P170 HydrophobicContact CD1-CG 4.29Å; Y154-P170 HydrophobicContact CD2-CG 3.93Å; Y154-P170 VanDerWaalsContact CD2-O 3.31Å; Y154-P170 WeakPolarHBondContact CD2-O 3.35Å; Y154-P170 HydrophobicContact CE1-CG 3.94Å; Y154-P170 HydrophobicContact CE2-CB 4.38Å; Y154-P170 HydrophobicContact CE2-CG 3.57Å; Y154-P170 HydrophobicContact CG-CG 4.28Å; P170-P191 HydrophobicContact CB-CB 3.56Å; P170-P191 HydrophobicContact CG-CB 4.45Å; P170-V193 HydrophobicContact CB-CG2 3.89Å; P170-V193 HydrophobicContact CG-CG2 3.52Å
171L81.8Confident77.9Confident154 Ų15466 Ų6681%0.80633%0.332SS*.PPolyproline II helixtrans-101.2121.9175.7-70.3163.6000109.9
172L83.5Confident76.9Confident18 Ų1864 Ų649%0.09434%0.335CS..PPolyproline II helixtrans-86.7149.1173.7-70.2174.4000111.1Y126 Y147 L150 R151 Y154 P191Y126-L172 HydrophobicContact CD1-CD2 3.92Å; Y126-L172 HydrophobicContact CE1-CD2 3.49Å; Y126-L172 VanDerWaalsContact CE1-CD2 3.49Å; Y126-L172 HydrophobicContact CE2-CD2 4.26Å; Y126-L172 HydrophobicContact CG-CD2 4.44Å; Y147-L172 HydrophobicContact CE2-CB 4.48Å; Y147-L172 HydrophobicContact CE2-CD1 4.47Å; L150-L172 HydrophobicContact CB-CD1 4.26Å; L150-L172 HydrophobicContact CD2-CD1 3.97Å; L150-L172 HydrophobicContact CG-CD1 3.86Å; R151-L172 HydrophobicContact CB-CB 4.49Å; R151-L172 HydrophobicContact CB-CD1 4.2Å; R151-L172 HydrophobicContact CG-CB 4.43Å; Y154-L172 HydrophobicContact CD2-CD1 3.78Å; Y154-L172 HydrophobicContact CD2-CG 3.77Å; Y154-L172 HydrophobicContact CE2-CD1 3.75Å; Y154-L172 HydrophobicContact CE2-CD2 4.32Å; Y154-L172 HydrophobicContact CE2-CG 3.8Å; L172-P191 HydrophobicContact CD2-CG 4.23Å
173P81.3Confident75.7Confident71 Ų7166.1 Ų66.146%0.46136%0.355SS..PPolyproline II helixtrans-55.7164.8178.6-25.633.3000113.9Y147 R151 K175Y147-P173 PolarHBondContact OH-O 2.96Å; R151-P173 PolarHBondContact NH1-O 3.47Å; P173-K175 VanDerWaalsContact C-N 3.31Å
174E76.9Confident74.5Confident152 Ų15268.3 Ų68.371%0.7137%0.366SS*.SBendtrans-70.6-31.1174.9-69.1-155.3145.300113.5R151R151-E174 VanDerWaalsContact NH1-C 3.33Å; R151-E174 VanDerWaalsContact NH1-CA 3.27Å; R151-E174 PolarHBondContact NH1-O 3.27Å
175K76Confident73.5Confident169 Ų16966.8 Ų66.874%0.73536%0.36SS*.SBendtrans-117.1137.8-178.3-67.8-179.5-176173.20110.2Y147 P173Y147-K175 VanDerWaalsContact OH-C 3.24Å; Y147-K175 PolarHBondContact OH-O 3.36Å; P173-K175 VanDerWaalsContact C-N 3.31Å
176P78Confident72.6Confident29 Ų2962.5 Ų62.519%0.18836%0.364CS..  trans-58.6133.817315-23.4000111.7W143 Y147W143-P176 VanDerWaalsContact CH2-CA 3.45Å; W143-P176 HydrophobicContact CH2-CB 2.94Å; W143-P176 HydrophobicContact CH2-CG 4.36Å; W143-P176 HydrophobicContact CZ2-CB 3.29Å; W143-P176 HydrophobicContact CZ2-CG 4.43Å; W143-P176 HydrophobicContact CZ3-CB 3.71Å; Y147-P176 HydrophobicContact CD1-CB 4.04Å; Y147-P176 HydrophobicContact CD1-CG 4.42Å; Y147-P176 HydrophobicContact CE1-CB 3.95Å; Y147-P176 HydrophobicContact CE1-CG 4.25Å; Y147-P176 HydrophobicContact CG-CB 4.37Å
177P74.9Confident71.7Confident20 Ų2067 Ų6713%0.1339%0.388CS..  trans-50.3137.8171.812.9-29.2000114.2W143 F179W143-P177 HydrophobicContact CH2-CG 3.74Å; W143-P177 WeakPolarHBondContact CH2-O 3.38Å; W143-P177 WeakPolarHBondContact CZ2-O 3.44Å; W143-P177 HydrophobicContact CZ3-CG 4.34Å; P177-F179 HydrophobicContact CB-CE1 4.1Å; P177-F179 HydrophobicContact CG-CE1 4.05Å; P177-F179 HydrophobicContact CG-CZ 4.18Å; P177-F179 PolarHBondContact O-N 3.35Å
178N71.8Confident70.8Confident70 Ų7069 Ų6937%0.37440%0.396SS..  trans-92.599.6179.2-169.6-5000111.5S180 I181 D184N178-S180 PolarHBondContact O-N 3.21Å; N178-S180 WeakPolarHBondContact OD1-CB 3.49Å; N178-S180 PolarHBondContact OD1-N 3.02Å; N178-I181 HydrophobicContact CB-CD1 4.27Å; N178-I181 HydrophobicContact CB-CG1 4.44Å; N178-I181 VanDerWaalsContact ND2-CD1 3.26Å; N178-I181 WeakPolarHBondContact ND2-CD1 3.47Å; N178-I181 PolarHBondContact O-N 2.85Å; N178-I181 VanDerWaalsContact O-N 3.07Å; N178-D184 WeakPolarHBondContact CB-OD2 3.49Å; N178-D184 PolarHBondContact N-OD2 3.38Å; N178-D184 VanDerWaalsContact N-OD2 3.11Å
179F72.2Confident69.8Low10 Ų1073 Ų734%0.04442%0.418CS..THydrogen-bonded Turntrans-66.9-7.9-178.4-50.8-55.5000115.1V130 M133 F134 W143 P177 I181V130-F179 HydrophobicContact CG1-CE1 4.24Å; V130-F179 HydrophobicContact CG2-CE1 4.41Å; M133-F179 HydrophobicContact CB-CD1 3.81Å; M133-F179 HydrophobicContact CB-CD2 3.9Å; M133-F179 HydrophobicContact CB-CE1 3.81Å; M133-F179 HydrophobicContact CB-CE2 3.84Å; M133-F179 HydrophobicContact CB-CG 3.87Å; M133-F179 HydrophobicContact CB-CZ 3.82Å; M133-F179 HydrophobicContact CE-CD2 3.47Å; M133-F179 VanDerWaalsContact CE-CD2 3.47Å; M133-F179 HydrophobicContact CE-CE2 3.57Å; M133-F179 HydrophobicContact CE-CG 4.37Å; M133-F179 HydrophobicContact CG-CD2 4.4Å; M133-F179 HydrophobicContact CG-CE2 4Å; M133-F179 HydrophobicContact CG-CZ 4.15Å; F134-F179 HydrophobicContact CD1-CD1 4.38Å; F134-F179 AromaticContact CD2-CD1 3.84Å; F134-F179 HydrophobicContact CD2-CD1 3.84Å; F134-F179 HydrophobicContact CD2-CE1 4.24Å; F134-F179 HydrophobicContact CE1-CD1 4.24Å; F134-F179 AromaticContact CE2-CD1 3.7Å; F134-F179 HydrophobicContact CE2-CD1 3.7Å; F134-F179 AromaticContact CE2-CE1 3.99Å; F134-F179 HydrophobicContact CE2-CE1 3.99Å; F134-F179 HydrophobicContact CG-CD1 4.2Å; F134-F179 AromaticContact CZ-CD1 3.92Å; F134-F179 HydrophobicContact CZ-CD1 3.92Å; W143-F179 AromaticContact CD1-CE2 3.67Å; W143-F179 AromaticContact CD2-CE2 3.55Å; W143-F179 HydrophobicContact CD2-CE2 3.55Å; W143-F179 HydrophobicContact CD2-CZ 4.13Å; W143-F179 AromaticContact CE2-CD2 3.93Å; W143-F179 AromaticContact CE2-CE2 3.22Å; W143-F179 AromaticContact CE2-CZ 3.96Å; W143-F179 HydrophobicContact CE3-CE2 4.15Å; W143-F179 HydrophobicContact CE3-CZ 4.28Å; W143-F179 AromaticContact CG-CE2 3.82Å; W143-F179 HydrophobicContact CG-CE2 3.82Å; W143-F179 AromaticContact CH2-CE2 3.98Å; W143-F179 HydrophobicContact CH2-CE2 3.98Å; W143-F179 AromaticContact CH2-CZ 3.9Å; W143-F179 HydrophobicContact CH2-CZ 3.9Å; W143-F179 HydrophobicContact CZ2-CD2 4.17Å; W143-F179 AromaticContact CZ2-CE2 3.49Å; W143-F179 HydrophobicContact CZ2-CE2 3.49Å; W143-F179 VanDerWaalsContact CZ2-CE2 3.49Å; W143-F179 AromaticContact CZ2-CZ 3.87Å; W143-F179 HydrophobicContact CZ2-CZ 3.87Å; W143-F179 HydrophobicContact CZ3-CE2 4.34Å; W143-F179 HydrophobicContact CZ3-CZ 4.16Å; W143-F179 AromaticContact NE1-CD2 3.67Å; W143-F179 AromaticContact NE1-CE2 3.35Å; P177-F179 HydrophobicContact CB-CE1 4.1Å; P177-F179 HydrophobicContact CG-CE1 4.05Å; P177-F179 HydrophobicContact CG-CZ 4.18Å; P177-F179 PolarHBondContact O-N 3.35Å; F179-I181 VanDerWaalsContact C-N 3.31Å
180S61.9Low68.8Low76 Ų7674.5 Ų74.553%0.53143%0.43SS..THydrogen-bonded Turntrans-81.7-11.5173.7-56.80000113.1N178N178-S180 PolarHBondContact O-N 3.21Å; N178-S180 WeakPolarHBondContact OD1-CB 3.49Å; N178-S180 PolarHBondContact OD1-N 3.02Å
181I60.9Low67.8Low72 Ų7275 Ų7537%0.36943%0.434SS..  trans-115.4109.2-174-59.4179.4000108.4N178 F179 S183 D184N178-I181 HydrophobicContact CB-CD1 4.27Å; N178-I181 HydrophobicContact CB-CG1 4.44Å; N178-I181 VanDerWaalsContact ND2-CD1 3.26Å; N178-I181 WeakPolarHBondContact ND2-CD1 3.47Å; N178-I181 PolarHBondContact O-N 2.85Å; N178-I181 VanDerWaalsContact O-N 3.07Å; F179-I181 VanDerWaalsContact C-N 3.31Å; I181-S183 WeakPolarHBondContact CG2-OG 3.31Å; I181-S183 PolarHBondContact O-N 3.46Å; I181-D184 HydrophobicContact CB-CB 4.47Å; I181-D184 WeakPolarHBondContact O-CB 3.39Å; I181-D184 PolarHBondContact O-N 3.35Å
182A56.9Low66.5Low69 Ų6975.2 Ų75.257%0.5743%0.43SS*.Hα-helixtrans-60.4-27.5-179.700000113.3D184 F185A182-D184 VanDerWaalsContact C-N 3.27Å; A182-D184 PolarHBondContact O-N 2.9Å; A182-F185 WeakPolarHBondContact O-CB 3.39Å; A182-F185 PolarHBondContact O-N 3.09Å
183S56.7Low65.5Low80 Ų8075.6 Ų75.656%0.55943%0.433SS*.Hα-helixtrans-68.9-21.8175.4610000113.8I181 F185 G186I181-S183 WeakPolarHBondContact CG2-OG 3.31Å; I181-S183 PolarHBondContact O-N 3.46Å; S183-F185 VanDerWaalsContact C-N 3.26Å; S183-F185 PolarHBondContact O-N 2.81Å; S183-G186 PolarHBondContact O-N 2.98Å
184D59.5Low64.4Low48 Ų4877.8 Ų77.826%0.25744%0.439SS..Hα-helixtrans-72.9-19.8175.2-91.55.9000112.3F134 N178 I181 A182 N187 Y188F134-D184 HydrophobicContact CE1-CB 4.39Å; F134-D184 HydrophobicContact CZ-CB 4.12Å; N178-D184 WeakPolarHBondContact CB-OD2 3.49Å; N178-D184 PolarHBondContact N-OD2 3.38Å; N178-D184 VanDerWaalsContact N-OD2 3.11Å; I181-D184 HydrophobicContact CB-CB 4.47Å; I181-D184 WeakPolarHBondContact O-CB 3.39Å; I181-D184 PolarHBondContact O-N 3.35Å; A182-D184 VanDerWaalsContact C-N 3.27Å; A182-D184 PolarHBondContact O-N 2.9Å; D184-N187 PolarHBondContact O-N 3.28Å; D184-Y188 PolarHBondContact O-N 2.85Å
185F59.4Low63.8Low94 Ų9475.3 Ų75.341%0.41243%0.43SS..Hα-helixtrans-70.5-34.4171.7-169.3-118.7000111.5K131 F134 A182 S183 N187 Y188K131-F185 HydrophobicContact CG-CE2 4.44Å; F134-F185 HydrophobicContact CB-CD2 4.09Å; F134-F185 HydrophobicContact CB-CE2 4.4Å; F134-F185 HydrophobicContact CD1-CB 3.85Å; F134-F185 HydrophobicContact CD1-CD2 4.25Å; F134-F185 HydrophobicContact CD1-CG 4.35Å; F134-F185 HydrophobicContact CD2-CB 4.2Å; F134-F185 AromaticContact CD2-CD2 3.2Å; F134-F185 HydrophobicContact CD2-CD2 3.2Å; F134-F185 AromaticContact CD2-CE2 3.87Å; F134-F185 HydrophobicContact CD2-CE2 3.87Å; F134-F185 HydrophobicContact CD2-CG 4.07Å; F134-F185 HydrophobicContact CE1-CB 3.72Å; F134-F185 HydrophobicContact CE2-CB 4.06Å; F134-F185 AromaticContact CE2-CD2 3.55Å; F134-F185 HydrophobicContact CE2-CD2 3.55Å; F134-F185 HydrophobicContact CE2-CE2 4.48Å; F134-F185 HydrophobicContact CE2-CG 4.28Å; F134-F185 HydrophobicContact CG-CB 4.08Å; F134-F185 AromaticContact CG-CD2 3.6Å; F134-F185 HydrophobicContact CG-CD2 3.6Å; F134-F185 HydrophobicContact CG-CE2 4.31Å; F134-F185 HydrophobicContact CG-CG 4.09Å; F134-F185 HydrophobicContact CZ-CB 3.82Å; F134-F185 HydrophobicContact CZ-CD2 4.21Å; A182-F185 WeakPolarHBondContact O-CB 3.39Å; A182-F185 PolarHBondContact O-N 3.09Å; S183-F185 VanDerWaalsContact C-N 3.26Å; S183-F185 PolarHBondContact O-N 2.81Å; F185-N187 PolarHBondContact O-N 3.42Å; F185-Y188 WeakPolarHBondContact O-CB 3.49Å; F185-Y188 PolarHBondContact O-N 3.23Å
186G55.7Low63.1Low69 Ų6971.6 Ų71.671%0.71142%0.415SS*.Hα-helixtrans-68.9-21.8176.600000114S183S183-G186 PolarHBondContact O-N 2.98Å
187N61.7Low61.7Low126 Ų12679.3 Ų79.367%0.67445%0.448SS*.THydrogen-bonded Turntrans-92.9-4.8176.8-66.4-28.7000113.1D184 F185 V189D184-N187 PolarHBondContact O-N 3.28Å; F185-N187 PolarHBondContact O-N 3.42Å; N187-V189 PolarHBondContact O-N 2.82Å
188Y65.3Low60Low46 Ų4686.4 Ų86.418%0.1848%0.48CS..  trans-78.5121.2-175.3173.8-101.6000110.7Y126 D127 V130 D184 F185Y126-Y188 AromaticContact CE1-CE2 3.97Å; Y126-Y188 HydrophobicContact CE1-CE2 3.97Å; D127-Y188 VanDerWaalsContact CA-OH 3.25Å; D127-Y188 WeakPolarHBondContact CA-OH 3.24Å; D127-Y188 WeakPolarHBondContact OD1-CE1 3.42Å; D127-Y188 PolarHBondContact OD1-OH 3.37Å; V130-Y188 HydrophobicContact CB-CE1 4.48Å; V130-Y188 HydrophobicContact CB-CE2 4.09Å; V130-Y188 HydrophobicContact CG1-CD1 4.09Å; V130-Y188 HydrophobicContact CG1-CD2 3.77Å; V130-Y188 HydrophobicContact CG1-CE1 4.07Å; V130-Y188 HydrophobicContact CG1-CE2 3.75Å; V130-Y188 HydrophobicContact CG1-CG 3.94Å; V130-Y188 HydrophobicContact CG2-CE2 3.94Å; D184-Y188 PolarHBondContact O-N 2.85Å; F185-Y188 WeakPolarHBondContact O-CB 3.49Å; F185-Y188 PolarHBondContact O-N 3.23Å
189V61.7Low57.9Low122 Ų12293.7 Ų93.774%0.73950%0.502SS*.  trans-110.2126.4174.6-177.50000108.2N187N187-V189 PolarHBondContact O-N 2.82Å
190S65.4Low55.6Low62 Ų6298.5 Ų98.543%0.43454%0.537SS..  trans-58.4127.8175.8-176.60000109.8E192S190-E192 PolarHBondContact O-N 2.95Å
191P61.6Low54Low19 Ų19103.2 Ų103.212%0.12355%0.551CS.*  trans-68.2107.7176-8.621.5000109.7Y126 P170 L172Y126-P191 HydrophobicContact CD1-CG 3.85Å; Y126-P191 HydrophobicContact CE1-CG 4.09Å; P170-P191 HydrophobicContact CB-CB 3.56Å; P170-P191 HydrophobicContact CG-CB 4.45Å; L172-P191 HydrophobicContact CD2-CG 4.23Å
192E55.8Low52.4Low158 Ų158104.5 Ų104.574%0.73857%0.566SS**  trans-78130.6-179.3-159.8168.6-153.800110.7S190S190-E192 PolarHBondContact O-N 2.95Å
193V61.3Low51.1Low25 Ų25107.4 Ų107.415%0.15258%0.579CS.*  trans-125.7116.5179.3-175.20000108.1I119 L120 S123 V167 P170I119-V193 HydrophobicContact CG2-CG1 4.05Å; L120-V193 HydrophobicContact CD2-CB 3.98Å; L120-V193 HydrophobicContact CD2-CG1 3.43Å; L120-V193 VanDerWaalsContact CD2-CG1 3.43Å; L120-V193 HydrophobicContact CG-CG1 4.07Å; S123-V193 VanDerWaalsContact CB-CG2 3.49Å; S123-V193 VanDerWaalsContact OG-CG2 3.31Å; S123-V193 WeakPolarHBondContact OG-CG2 3.44Å; V167-V193 HydrophobicContact CG2-CG1 3.62Å; P170-V193 HydrophobicContact CB-CG2 3.89Å; P170-V193 HydrophobicContact CG-CG2 3.52Å
194M59.6Low49.6Very low118 Ų118109.1 Ų109.158%0.58159%0.59SS**  trans-113.6132.8176.2-64.2-136.5-64.200110.7S168S168-M194 PolarHBondContact N-O 3.38Å; S168-M194 PolarHBondContact OG-N 3.09Å; S168-M194 PolarHBondContact OG-O 3.36Å
195L62.8Low48.1Very low99 Ų99113.6 Ų113.652%0.51861%0.614SS.*BIsolated β-bridgetrans-76.9132164.1-70174.4000108.2I116 L120 V167I116-L195 HydrophobicContact CG2-CD2 3.44Å; I116-L195 VanDerWaalsContact CG2-CD2 3.44Å; L120-L195 HydrophobicContact CD1-CD1 3.86Å; L120-L195 HydrophobicContact CD1-CD2 3.95Å; L120-L195 HydrophobicContact CD1-CG 3.93Å; L120-L195 HydrophobicContact CD2-CG 4.38Å; V167-L195 HydrophobicContact CB-CD2 4.17Å; V167-L195 HydrophobicContact CG2-CD2 4.21Å
196H62.8Low46.6Very low91 Ų91114 Ų11442%0.42163%0.628SS.*PPolyproline II helixtrans-85.4123.5173.9-59.888.7000108.3L166 Q198L166-H196 PolarHBondContact O-N 2.98Å; L166-H196 VanDerWaalsContact O-N 3.15Å; H196-Q198 PolarHBondContact O-N 3.05Å
197E47.1Very low45.3Very low192 Ų192119.8 Ų119.890%0.89764%0.636SS**PPolyproline II helixtrans-63.2128.4168-84.8179.1154.800109.2R199E197-R199 PolarHBondContact O-N 3.48Å
198Q39.6Very low43.8Very low169 Ų169118.6 Ų118.679%0.7964%0.644SS**  trans-64.1100.5178-68.5-169.3-64.700109.2L166 H196 S200L166-Q198 HydrophobicContact CD2-CG 4.42Å; H196-Q198 PolarHBondContact O-N 3.05Å; Q198-S200 PolarHBondContact O-N 3.47Å
199R27.6Very low42.2Very low223 Ų223122.8 Ų122.884%0.84267%0.674SS**  trans-68.8112.5170.8-144.6175-161.81774.2107.8E197 E201E197-R199 PolarHBondContact O-N 3.48Å; R199-E201 PolarHBondContact O-N 2.94Å
200S25.6Very low40.6Very low111 Ų111125.1 Ų125.178%0.77668%0.677SS**  trans-6296.2169.952.90000109.2Q198Q198-S200 PolarHBondContact O-N 3.47Å
201E28Very low38.8Very low175 Ų175128.5 Ų128.582%0.81869%0.69SS**  trans-9687.9166.1-73.3-171.8179.800108.9R199R199-E201 PolarHBondContact O-N 2.94Å
202S27Very low37.1Very low99 Ų99132.9 Ų132.969%0.69273%0.728SS**  trans-117.7123.9152.154.90000107.3
203P28.4Very low35.8Very low130 Ų130134.4 Ų134.484%0.84473%0.732SS**  trans-70.2141.4174.1-10.325.3000111
204C25.8Very low34.2Very low116 Ų116141.5 Ų141.578%0.78477%0.768SS**  trans94.9110.4162.4-111.90000119.5
205D27.2Very low32.8Very low142 Ų142141.2 Ų141.276%0.75977%0.773SS**  trans72.8102.5142.7-65.2-9.9000122.1
206S28.5Very low31Very low101 Ų101142.2 Ų142.271%0.70678%0.779SS**  78.9106.7125-57.60000119.9
207Q28.2Very low29.5Very low191 Ų191146 Ų14689%0.89379%0.794SS**  trans59104.6136.2-63.6179.1-10.400118.6
208A30.8Very low28.9Very low102 Ų102141 Ų14184%0.84378%0.781SS**  172.3128.3108.300000110.4
209V32.1Very low28.5Very low134 Ų134139.9 Ų139.981%0.81278%0.78SS**  trans-75.2135.4168.2-1770000107.6
210E27.7Very low28.8Very low171 Ų171134.1 Ų134.180%0.79977%0.765SS**  166.8146127.3-90175.717600112.6
211D27Very low29.1Very low133 Ų133133.6 Ų133.671%0.71175%0.751SS**  trans80.397.7163.4-63-16.2000120.6K213D211-K213 PolarHBondContact O-N 3.25Å
212A27.1Very low29.6Very low110 Ų110127.6 Ų127.691%0.90972%0.723SS**  trans-42.3101.2148.300000112
213K27.8Very low30Very low190 Ų190126.3 Ų126.383%0.82671%0.712SS**  trans-116.2117160.5-88176.7179.1167.80109.7D211D211-K213 PolarHBondContact O-N 3.25Å
214L27.1Very low30.5Very low174 Ų174123.2 Ų123.291%0.91169%0.693SS**  trans0.4117.3152.9-155.773.6000115D216L214-D216 PolarHBondContact O-N 2.95Å; L214-D216 VanDerWaalsContact O-N 3.14Å
215V30.3Very low31Very low113 Ų113123.3 Ų123.369%0.68569%0.69SS**  trans-42.4111.3178.3-179.30000112F217V215-F217 WeakPolarHBondContact O-CD2 3.49Å
216D26.3Very low31.9Very low120 Ų120120.2 Ų120.264%0.64267%0.674SS**  trans-74124.2167.5-171.6-3.6000109.2L214 S218L214-D216 PolarHBondContact O-N 2.95Å; L214-D216 VanDerWaalsContact O-N 3.14Å; D216-S218 PolarHBondContact O-N 3.33Å; D216-S218 WeakPolarHBondContact OD1-CB 3.37Å; D216-S218 PolarHBondContact OD1-N 3.43Å; D216-S218 PolarHBondContact OD1-OG 3.47Å
217F31.1Very low32.6Very low169 Ų169121.2 Ų121.274%0.74166%0.662SS**  trans-83.110.1-174.9-78.2-91.4000113.4V215 D219V215-F217 WeakPolarHBondContact O-CD2 3.49Å; F217-D219 PolarHBondContact O-N 3.38Å
218S34Very low32.8Very low87 Ų87116.5 Ų116.561%0.60864%0.642SS**THydrogen-bonded Turntrans-83.7-10.3-164.2-59.50000115.8D216D216-S218 PolarHBondContact O-N 3.33Å; D216-S218 WeakPolarHBondContact OD1-CB 3.37Å; D216-S218 PolarHBondContact OD1-N 3.43Å; D216-S218 PolarHBondContact OD1-OG 3.47Å
219D31.8Very low33.2Very low147 Ų147113.7 Ų113.779%0.78662%0.615SS**THydrogen-bonded Turntrans-113.120.6-168-68-30.9000116.6F217 Q221F217-D219 PolarHBondContact O-N 3.38Å; D219-Q221 PolarHBondContact O-N 3.25Å
220L32.4Very low33.6Very low101 Ų101108.1 Ų108.153%0.52958%0.583SS.*  trans-80.286.4179.4-67.9175.5000112.8
221Q32.7Very low34.2Very low101 Ų101105.5 Ų105.547%0.47257%0.569SS.*  trans-82.2105.9171.6-167.2141.7-59.100110.7D219 D578 R581D219-Q221 PolarHBondContact O-N 3.25Å; Q221-D578 PolarHBondContact NE2-OD1 3.45Å; Q221-R581 HydrophobicContact CG-CB 4.19Å
222E38.8Very low34.9Very low49 Ų49102.9 Ų102.923%0.22955%0.554CS.*PPolyproline II helixtrans-97.6146.1179.2-72.7-161.1142.200114I8 R588I8-E222 HydrophobicContact CD1-CG 4.16Å; I8-E222 WeakPolarHBondContact CD1-OE1 2.91Å; E222-R588 PolarHBondContact O-NH1 3.02Å; E222-R588 IonicContact OE2-NH2 2.87Å
223P35.4Very low35.5Very low71 Ų7199.4 Ų99.446%0.46153%0.529SS..PPolyproline II helixtrans-76.1141.7165.331.6-30.4000111.9V107 R588V107-P223 HydrophobicContact CG2-CG 4.15Å; P223-R588 VanDerWaalsContact C-NH2 3.32Å; P223-R588 PolarHBondContact O-NH2 3.23Å
224S38.5Very low36.3Very low65 Ų6592.8 Ų92.846%0.45551%0.51SS..SBendtrans-61.9154-178.438.40000115.2R588S224-R588 VanDerWaalsContact CA-CZ 3.47Å
225V37.4Very low36.9Very low118 Ų11891 Ų9172%0.71550%0.495SS*.SBendtrans80.773.7159.8-154.20000116.7
226N45.7Very low37.5Very low77 Ų7791.5 Ų91.541%0.41249%0.49SS..  trans-165.224163.1-97.5-24000117.2L228 T229 A230N226-L228 PolarHBondContact O-N 3.5Å; N226-T229 VanDerWaalsContact C-OG1 3.3Å; N226-T229 VanDerWaalsContact CA-OG1 3.22Å; N226-T229 WeakPolarHBondContact CA-OG1 3.39Å; N226-T229 PolarHBondContact O-N 3.12Å; N226-T229 PolarHBondContact O-OG1 3.05Å; N226-T229 VanDerWaalsContact O-OG1 3.13Å; N226-T229 WeakPolarHBondContact OD1-CB 3.35Å; N226-T229 PolarHBondContact OD1-OG1 3.05Å; N226-A230 WeakPolarHBondContact O-CB 2.74Å; N226-A230 PolarHBondContact O-N 3.38Å
227W41.9Very low38.2Very low122 Ų12289.2 Ų89.246%0.46247%0.474SS..Hα-helixtrans-67.6-40.5-172.381.3-87.5000113.8A230 K231W227-A230 PolarHBondContact O-N 3.45Å; W227-K231 HydrophobicContact CE3-CD 4.03Å; W227-K231 HydrophobicContact CZ3-CD 3.9Å; W227-K231 PolarHBondContact O-N 3.15Å
228L34Very low38.7Very low92 Ų9286.8 Ų86.848%0.48247%0.468SS..Hα-helixtrans-68.9-38.1176.5-155.182.2000110.9N226 A230 K231 I232N226-L228 PolarHBondContact O-N 3.5Å; L228-A230 VanDerWaalsContact C-N 3.34Å; L228-K231 PolarHBondContact O-N 3.07Å; L228-I232 HydrophobicContact CD2-CD1 4.04Å; L228-I232 HydrophobicContact CG-CD1 3.95Å; L228-I232 WeakPolarHBondContact O-CB 3.46Å; L228-I232 WeakPolarHBondContact O-CD1 3.45Å; L228-I232 WeakPolarHBondContact O-CG1 3.18Å; L228-I232 PolarHBondContact O-N 3.43Å
229T38.7Very low39.2Very low43 Ų4385.6 Ų85.626%0.26446%0.46SS..Hα-helixtrans-65-36.2175.4-1.60000111.9F99 N226 G233F99-T229 HydrophobicContact CD1-CG2 4.14Å; F99-T229 HydrophobicContact CE1-CG2 3.43Å; F99-T229 VanDerWaalsContact CE1-CG2 3.43Å; F99-T229 HydrophobicContact CZ-CG2 3.79Å; N226-T229 VanDerWaalsContact C-OG1 3.3Å; N226-T229 VanDerWaalsContact CA-OG1 3.22Å; N226-T229 WeakPolarHBondContact CA-OG1 3.39Å; N226-T229 PolarHBondContact O-N 3.12Å; N226-T229 PolarHBondContact O-OG1 3.05Å; N226-T229 VanDerWaalsContact O-OG1 3.13Å; N226-T229 WeakPolarHBondContact OD1-CB 3.35Å; N226-T229 PolarHBondContact OD1-OG1 3.05Å; T229-G233 PolarHBondContact O-N 3.26Å
230A39.9Very low39.6Very low17 Ų1784.9 Ų84.914%0.1445%0.45CS..Hα-helixtrans-68.9-44.7173.600000112.1P7 N226 W227 L228 A234P7-A230 HydrophobicContact CB-CB 4Å; P7-A230 HydrophobicContact CG-CB 3.64Å; N226-A230 WeakPolarHBondContact O-CB 2.74Å; N226-A230 PolarHBondContact O-N 3.38Å; W227-A230 PolarHBondContact O-N 3.45Å; L228-A230 VanDerWaalsContact C-N 3.34Å; A230-A234 WeakPolarHBondContact O-CB 3.4Å; A230-A234 PolarHBondContact O-N 3.34Å
231K40.3Very low40.1Very low117 Ų11781.8 Ų81.851%0.50943%0.432SS..Hα-helixtrans-66.5-44175.9-82.4-175.1174.4-179.80112.6W227 L228 A234 F235W227-K231 HydrophobicContact CE3-CD 4.03Å; W227-K231 HydrophobicContact CZ3-CD 3.9Å; W227-K231 PolarHBondContact O-N 3.15Å; L228-K231 PolarHBondContact O-N 3.07Å; K231-A234 PolarHBondContact O-N 3.06Å; K231-F235 VanDerWaalsContact O-CB 3.28Å; K231-F235 WeakPolarHBondContact O-CB 3.36Å; K231-F235 PolarHBondContact O-N 2.99Å
232I41.3Very low40.5Very low78 Ų7879.5 Ų79.540%0.443%0.431SS..Hα-helixtrans-65.1-41.1177.1-67.4164.6000110.7L228 F235 Q236L228-I232 HydrophobicContact CD2-CD1 4.04Å; L228-I232 HydrophobicContact CG-CD1 3.95Å; L228-I232 WeakPolarHBondContact O-CB 3.46Å; L228-I232 WeakPolarHBondContact O-CD1 3.45Å; L228-I232 WeakPolarHBondContact O-CG1 3.18Å; L228-I232 PolarHBondContact O-N 3.43Å; I232-F235 PolarHBondContact O-N 2.68Å; I232-Q236 HydrophobicContact CG2-CG 4.35Å; I232-Q236 WeakPolarHBondContact O-CB 3.34Å; I232-Q236 WeakPolarHBondContact O-CG 3.42Å; I232-Q236 PolarHBondContact O-N 3.13Å
233G39.8Very low40.5Very low37 Ų3779.4 Ų79.438%0.38144%0.439SS..Hα-helixtrans-62-45.917500000112.7T229 F235 F237T229-G233 PolarHBondContact O-N 3.26Å; G233-F235 VanDerWaalsContact C-N 3.35Å; G233-F235 PolarHBondContact O-N 3.24Å; G233-F237 VanDerWaalsContact O-CB 3.22Å; G233-F237 WeakPolarHBondContact O-CB 3.26Å; G233-F237 PolarHBondContact O-N 3.49Å
234A44.4Very low40.7Very low51 Ų5178.6 Ų78.642%0.42143%0.43SS..Hα-helixtrans-64.3-37.417600000112.6A230 K231 F237 L238A230-A234 WeakPolarHBondContact O-CB 3.4Å; A230-A234 PolarHBondContact O-N 3.34Å; K231-A234 PolarHBondContact O-N 3.06Å; A234-F237 WeakPolarHBondContact O-CB 3.33Å; A234-L238 WeakPolarHBondContact O-CD1 3.36Å; A234-L238 PolarHBondContact O-N 3.4Å
235F40Very low40.7Very low135 Ų13582 Ų8259%0.59244%0.437SS*.Hα-helixtrans-75.8-38-179.6-156.6-94.3000113K231 I232 G233 F237 S239K231-F235 VanDerWaalsContact O-CB 3.28Å; K231-F235 WeakPolarHBondContact O-CB 3.36Å; K231-F235 PolarHBondContact O-N 2.99Å; I232-F235 PolarHBondContact O-N 2.68Å; G233-F235 VanDerWaalsContact C-N 3.35Å; G233-F235 PolarHBondContact O-N 3.24Å; F235-F237 VanDerWaalsContact C-N 3.34Å; F235-S239 WeakPolarHBondContact O-CB 3.49Å; F235-S239 PolarHBondContact O-N 2.98Å; F235-S239 PolarHBondContact O-OG 3.47Å
236Q42.7Very low40.9Very low124 Ų12484.5 Ų84.558%0.57943%0.434SS*.Hα-helixtrans-65.9-38.7170.9-77.4-178.3-1600111.5I232 S239 F240I232-Q236 HydrophobicContact CG2-CG 4.35Å; I232-Q236 WeakPolarHBondContact O-CB 3.34Å; I232-Q236 WeakPolarHBondContact O-CG 3.42Å; I232-Q236 PolarHBondContact O-N 3.13Å; Q236-S239 WeakPolarHBondContact CA-OG 3.36Å; Q236-S239 PolarHBondContact O-OG 2.87Å; Q236-F240 WeakPolarHBondContact O-CB 3.27Å; Q236-F240 PolarHBondContact O-N 3.16Å
237F41.6Very low40.8Very low73 Ų7389.7 Ų89.732%0.3245%0.447SS..Hα-helixtrans-58.6-55.1173.1-175.4-94.5000110.8S89 G233 A234 F235 S239 F241S89-F237 WeakPolarHBondContact OG-CE2 3.26Å; G233-F237 VanDerWaalsContact O-CB 3.22Å; G233-F237 WeakPolarHBondContact O-CB 3.26Å; G233-F237 PolarHBondContact O-N 3.49Å; A234-F237 WeakPolarHBondContact O-CB 3.33Å; F235-F237 VanDerWaalsContact C-N 3.34Å; F237-S239 PolarHBondContact O-N 2.92Å; F237-F241 HydrophobicContact CE1-CD2 4.46Å; F237-F241 HydrophobicContact CZ-CD2 4.27Å; F237-F241 VanDerWaalsContact O-CB 3.25Å; F237-F241 WeakPolarHBondContact O-CB 3.4Å; F237-F241 PolarHBondContact O-N 2.98Å
238L41.8Very low40.7Very low117 Ų11789.3 Ų89.361%0.61345%0.446SS*.Hα-helixtrans-61.6-40.9-179.8-80.8157.1000113.6A234 A242A234-L238 WeakPolarHBondContact O-CD1 3.36Å; A234-L238 PolarHBondContact O-N 3.4Å; L238-A242 VanDerWaalsContact O-CB 3.29Å; L238-A242 WeakPolarHBondContact O-CB 3.34Å; L238-A242 PolarHBondContact O-N 2.92Å
239S43.4Very low40.9Very low62 Ų6287.2 Ų87.243%0.43444%0.442SS..Hα-helixtrans-74.4-40.7-178.5580000113.5F235 Q236 F237 F241 A243F235-S239 WeakPolarHBondContact O-CB 3.49Å; F235-S239 PolarHBondContact O-N 2.98Å; F235-S239 PolarHBondContact O-OG 3.47Å; Q236-S239 WeakPolarHBondContact CA-OG 3.36Å; Q236-S239 PolarHBondContact O-OG 2.87Å; F237-S239 PolarHBondContact O-N 2.92Å; S239-F241 VanDerWaalsContact C-N 3.3Å; S239-A243 WeakPolarHBondContact O-CB 3.4Å; S239-A243 PolarHBondContact O-N 3.43Å
240F40.4Very low40.8Very low133 Ų13386.7 Ų86.758%0.58345%0.445SS*.Hα-helixtrans-64.2-38.6173.2-176.3-100.4000111Q236 A243 N244Q236-F240 WeakPolarHBondContact O-CB 3.27Å; Q236-F240 PolarHBondContact O-N 3.16Å; F240-A243 PolarHBondContact O-N 3.35Å; F240-N244 WeakPolarHBondContact CE1-ND2 3.15Å; F240-N244 VanDerWaalsContact CZ-ND2 3.29Å; F240-N244 WeakPolarHBondContact CZ-ND2 3.44Å; F240-N244 PolarHBondContact O-N 3.41Å; F240-N244 PolarHBondContact O-ND2 2.94Å
241F42.9Very low40.7Very low35 Ų3588.5 Ų88.515%0.15446%0.46CS..Hα-helixtrans-69.2-44.7177.8-135.3-64.7000112.5F38 V85 F237 S239 A243 N244 F245F38-F241 AromaticContact CD1-CE1 3.73Å; F38-F241 HydrophobicContact CD1-CE1 3.73Å; F38-F241 AromaticContact CD1-CZ 3.65Å; F38-F241 HydrophobicContact CD1-CZ 3.65Å; F38-F241 HydrophobicContact CD2-CD1 4.08Å; F38-F241 HydrophobicContact CD2-CD2 4.48Å; F38-F241 AromaticContact CD2-CE1 3.61Å; F38-F241 HydrophobicContact CD2-CE1 3.61Å; F38-F241 AromaticContact CD2-CE2 3.95Å; F38-F241 HydrophobicContact CD2-CE2 3.95Å; F38-F241 AromaticContact CD2-CZ 3.47Å; F38-F241 HydrophobicContact CD2-CZ 3.47Å; F38-F241 VanDerWaalsContact CD2-CZ 3.47Å; F38-F241 HydrophobicContact CE1-CD1 4.09Å; F38-F241 AromaticContact CE1-CE1 3.17Å; F38-F241 HydrophobicContact CE1-CE1 3.17Å; F38-F241 AromaticContact CE1-CZ 3.63Å; F38-F241 HydrophobicContact CE1-CZ 3.63Å; F38-F241 AromaticContact CE2-CD1 3.22Å; F38-F241 HydrophobicContact CE2-CD1 3.22Å; F38-F241 HydrophobicContact CE2-CD2 4.31Å; F38-F241 AromaticContact CE2-CE1 3.02Å; F38-F241 HydrophobicContact CE2-CE1 3.02Å; F38-F241 HydrophobicContact CE2-CE2 4.08Å; F38-F241 AromaticContact CE2-CG 3.91Å; F38-F241 HydrophobicContact CE2-CG 3.91Å; F38-F241 AromaticContact CE2-CZ 3.44Å; F38-F241 HydrophobicContact CE2-CZ 3.44Å; F38-F241 VanDerWaalsContact CE2-CZ 3.44Å; F38-F241 AromaticContact CG-CE1 3.95Å; F38-F241 HydrophobicContact CG-CE1 3.95Å; F38-F241 HydrophobicContact CG-CE2 4.35Å; F38-F241 AromaticContact CG-CZ 3.61Å; F38-F241 HydrophobicContact CG-CZ 3.61Å; F38-F241 AromaticContact CZ-CD1 3.27Å; F38-F241 HydrophobicContact CZ-CD1 3.27Å; F38-F241 AromaticContact CZ-CE1 2.82Å; F38-F241 HydrophobicContact CZ-CE1 2.82Å; F38-F241 HydrophobicContact CZ-CG 4.36Å; F38-F241 AromaticContact CZ-CZ 3.57Å; F38-F241 HydrophobicContact CZ-CZ 3.57Å; V85-F241 HydrophobicContact CG1-CE2 4.18Å; V85-F241 HydrophobicContact CG1-CZ 4.28Å; F237-F241 HydrophobicContact CE1-CD2 4.46Å; F237-F241 HydrophobicContact CZ-CD2 4.27Å; F237-F241 VanDerWaalsContact O-CB 3.25Å; F237-F241 WeakPolarHBondContact O-CB 3.4Å; F237-F241 PolarHBondContact O-N 2.98Å; S239-F241 VanDerWaalsContact C-N 3.3Å; F241-A243 VanDerWaalsContact C-N 3.26Å; F241-A243 PolarHBondContact O-N 2.93Å; F241-N244 PolarHBondContact O-N 3.36Å; F241-F245 WeakPolarHBondContact O-CB 3.4Å; F241-F245 PolarHBondContact O-N 3.37Å
242A41.3Very low40.7Very low53 Ų5389.1 Ų89.144%0.43846%0.463SS..Hα-helixtrans-60.4-35.4174.500000112.4L238 R246L238-A242 VanDerWaalsContact O-CB 3.29Å; L238-A242 WeakPolarHBondContact O-CB 3.34Å; L238-A242 PolarHBondContact O-N 2.92Å; A242-R246 WeakPolarHBondContact O-CB 3.13Å; A242-R246 PolarHBondContact O-N 2.87Å; A242-R246 VanDerWaalsContact O-N 3.15Å
243A39.3Very low40.5Very low48 Ų4890.8 Ų90.840%0.39748%0.477SS..Hα-helixtrans-71-39.5176.500000113.1S239 F240 F241 R246 R247S239-A243 WeakPolarHBondContact O-CB 3.4Å; S239-A243 PolarHBondContact O-N 3.43Å; F240-A243 PolarHBondContact O-N 3.35Å; F241-A243 VanDerWaalsContact C-N 3.26Å; F241-A243 PolarHBondContact O-N 2.93Å; A243-R246 PolarHBondContact O-N 3.47Å; A243-R247 PolarHBondContact O-N 3.23Å
244N40.1Very low40.1Very low54 Ų5498.9 Ų98.929%0.28950%0.496SS..Hα-helixtrans-72.4-36.2176.1-85-41.4000112.7F240 F241 R246 R247 R248F240-N244 WeakPolarHBondContact CE1-ND2 3.15Å; F240-N244 VanDerWaalsContact CZ-ND2 3.29Å; F240-N244 WeakPolarHBondContact CZ-ND2 3.44Å; F240-N244 PolarHBondContact O-N 3.41Å; F240-N244 PolarHBondContact O-ND2 2.94Å; F241-N244 PolarHBondContact O-N 3.36Å; N244-R246 VanDerWaalsContact C-N 3.33Å; N244-R246 PolarHBondContact O-N 3.48Å; N244-R247 PolarHBondContact O-N 3.33Å; N244-R248 PolarHBondContact O-N 2.78Å
245F37.8Very low39.8Very low135 Ų135100.8 Ų100.859%0.59251%0.511SS*.Hα-helixtrans-59.8-43.8171.7-171.9-97.6000111.4F241 R247 R248 A249F241-F245 WeakPolarHBondContact O-CB 3.4Å; F241-F245 PolarHBondContact O-N 3.37Å; F245-R247 VanDerWaalsContact C-N 3.32Å; F245-R247 PolarHBondContact O-N 2.9Å; F245-R248 PolarHBondContact O-N 3.39Å; F245-A249 WeakPolarHBondContact O-CB 3.21Å; F245-A249 PolarHBondContact O-N 3.37Å
246R40.8Very low39.4Very low172 Ų172105.3 Ų105.365%0.64952%0.524SS*.Hα-helixtrans-61.5-37.3175.7-164.8-177.7-66.7-175-2112.6A242 A243 N244 G250A242-R246 WeakPolarHBondContact O-CB 3.13Å; A242-R246 PolarHBondContact O-N 2.87Å; A242-R246 VanDerWaalsContact O-N 3.15Å; A243-R246 PolarHBondContact O-N 3.47Å; N244-R246 VanDerWaalsContact C-N 3.33Å; N244-R246 PolarHBondContact O-N 3.48Å; R246-G250 PolarHBondContact O-N 2.81Å
247R44Very low38.7Very low185 Ų185104.2 Ų104.270%0.69853%0.529SS*.Hα-helixtrans-69.2-42.1175.3-75.8-177.5-171.3163.70.7112.5A243 N244 F245 A251A243-R247 PolarHBondContact O-N 3.23Å; N244-R247 PolarHBondContact O-N 3.33Å; F245-R247 VanDerWaalsContact C-N 3.32Å; F245-R247 PolarHBondContact O-N 2.9Å; R247-A251 WeakPolarHBondContact O-CB 3.43Å; R247-A251 PolarHBondContact O-N 3.01Å; R247-A251 VanDerWaalsContact O-N 3.1Å
248R41.5Very low38.1Very low114 Ų114106.8 Ų106.843%0.4356%0.555SS.*Hα-helixtrans-77.7-36.7-175.4-142.2166.8174.8143.6-1.2112.1D78 D81 N244 F245 A251 K252D78-R248 IonicContact OD1-NH2 2.67Å; D78-R248 PolarHBondContact OD1-NH2 3.42Å; D78-R248 VanDerWaalsContact OD1-NH2 3.1Å; D81-R248 IonicContact OD2-CZ 3.83Å; D81-R248 IonicContact OD2-NH1 3.33Å; D81-R248 IonicContact OD2-NH2 2.75Å; D81-R248 PolarHBondContact OD2-NH2 2.81Å; N244-R248 PolarHBondContact O-N 2.78Å; F245-R248 PolarHBondContact O-N 3.39Å; R248-A251 PolarHBondContact O-N 3.27Å; R248-K252 PolarHBondContact O-N 2.87Å; R248-K252 VanDerWaalsContact O-N 3.07Å
249A38.2Very low37.9Very low49 Ų49107 Ų10741%0.40556%0.563SS.*Hα-helixtrans-64.8-38.5170.200000112.3F245 A251 V253F245-A249 WeakPolarHBondContact O-CB 3.21Å; F245-A249 PolarHBondContact O-N 3.37Å; A249-A251 VanDerWaalsContact C-N 3.33Å; A249-A251 PolarHBondContact O-N 3.07Å; A249-V253 WeakPolarHBondContact O-CG2 3.37Å
250G34.9Very low37.3Very low32 Ų32113.9 Ų113.933%0.3359%0.585SS.*Hα-helixtrans-70.9-22.3174.800000114.9R246R246-G250 PolarHBondContact O-N 2.81Å
251A38.9Very low36.9Very low54 Ų54116.8 Ų116.845%0.44660%0.598SS.*Hα-helixtrans-85.7-37.917700000112.8R247 R248 A249 V253 R254 A255R247-A251 WeakPolarHBondContact O-CB 3.43Å; R247-A251 PolarHBondContact O-N 3.01Å; R247-A251 VanDerWaalsContact O-N 3.1Å; R248-A251 PolarHBondContact O-N 3.27Å; A249-A251 VanDerWaalsContact C-N 3.33Å; A249-A251 PolarHBondContact O-N 3.07Å; A251-V253 VanDerWaalsContact C-N 3.28Å; A251-V253 PolarHBondContact O-N 3.47Å; A251-R254 PolarHBondContact O-N 2.96Å; A251-R254 VanDerWaalsContact O-N 3.15Å; A251-A255 PolarHBondContact O-N 3.4Å
252K39.6Very low36.1Very low130 Ų130123.6 Ų123.657%0.56563%0.63SS**Hα-helixtrans-66.3-25.7176.5-110.6170.9-177.3168.50113D78 R248D78-K252 IonicContact OD2-NZ 2.6Å; D78-K252 PolarHBondContact OD2-NZ 3.38Å; R248-K252 PolarHBondContact O-N 2.87Å; R248-K252 VanDerWaalsContact O-N 3.07Å
253V37.4Very low35.8Very low114 Ų114127.5 Ų127.569%0.69165%0.648SS**Hα-helixtrans-77.6-30.2172.5176.80000112.4A249 A251A249-V253 WeakPolarHBondContact O-CG2 3.37Å; A251-V253 VanDerWaalsContact C-N 3.28Å; A251-V253 PolarHBondContact O-N 3.47Å
254R32.2Very low35.5Very low207 Ų207131.4 Ų131.478%0.78167%0.667SS**Hα-helixtrans-84.6-27.3178.3-93.9-178.7-105.7-131.5-5.1114.1A251 R256A251-R254 PolarHBondContact O-N 2.96Å; A251-R254 VanDerWaalsContact O-N 3.15Å; R254-R256 VanDerWaalsContact C-N 3.33Å; R254-R256 PolarHBondContact O-N 3.28Å
255A36.4Very low35.1Very low90 Ų90140.5 Ų140.574%0.74470%0.697SS**THydrogen-bonded Turntrans-80.3-8179.800000114.5A251A251-A255 PolarHBondContact O-N 3.4Å
256R32.5Very low34.7Very low230 Ų230141 Ų14187%0.86871%0.712SS**THydrogen-bonded Turntrans-88.45.2173.6-83.5-173-178.2-174.80.6114.5R254R254-R256 VanDerWaalsContact C-N 3.33Å; R254-R256 PolarHBondContact O-N 3.28Å
257C27.9Very low34.5Very low101 Ų101136.1 Ų136.168%0.68271%0.714SS**  trans-116.287178.8-78.30000112.3
258C29.7Very low34.3Very low128 Ų128132 Ų13287%0.86571%0.714SS**SBendtrans-171.6148.5148.5-98.20000110.2
259P36.2Very low34.3Very low121 Ų121131.8 Ų131.879%0.78673%0.73SS**  -114.5148.9-105.237.2-32.2000114.9
260K31.2Very low34.6Very low206 Ų206132 Ų13290%0.89674%0.737SS**  trans-131.5107.6156.3-78.5-175.9179.2174.60109.8
261K31.7Very low35.1Very low194 Ų194138.4 Ų138.484%0.84376%0.755SS**  trans47.6128.2149.6-64.5-176.5175.5-177.50120.2
262E26.8Very low35.3Very low179 Ų179139 Ų13984%0.83676%0.76SS**  trans31.4114.9145.3-121.278.8-156.900117.8
263V35.1Very low36.3Very low135 Ų135135.8 Ų135.882%0.81876%0.758SS**  -172.9110.1129.8163.20000108.8
264T33.4Very low37.4Very low130 Ų130132.5 Ų132.580%0.79874%0.743SS**  trans31.6111152.2560000121.1
265R30.5Very low38.3Very low244 Ų244127.3 Ų127.392%0.92173%0.734SS**  trans-40.3131151.7-163.7178.2-165.7167.52.2112.6
266V31Very low39.3Very low147 Ų147129.6 Ų129.689%0.89173%0.73SS**  trans167.1115.7134.4168.30000108.5
267G35.9Very low41Very low68 Ų68123.8 Ų123.870%0.70171%0.712SS**SBendtrans132.5-2158.700000121
268S39.8Very low42.7Very low99 Ų99126.4 Ų126.469%0.69271%0.712SS**  trans-97.7-2.5-163.454.60000118.3G270S268-G270 PolarHBondContact O-N 3.28Å
269S40.8Very low44Very low109 Ų109127 Ų12776%0.76270%0.7SS**Hα-helixtrans-70-31.1-173.1-167.20000114.6
270G44.7Very low45.7Very low54 Ų54127.9 Ų127.956%0.55769%0.692SS**Hα-helixtrans-79.4-30.6-177.200000114.5S268 A274S268-G270 PolarHBondContact O-N 3.28Å; G270-A274 PolarHBondContact O-N 2.53Å
271K44.8Very low47.6Very low166 Ų166124.2 Ų124.272%0.72268%0.676SS**Hα-helixtrans-74.2-33.8-178.6-69-178.2-179.9177.30112.2V275K271-V275 VanDerWaalsContact O-CG2 3.31Å; K271-V275 WeakPolarHBondContact O-CG2 3.5Å; K271-V275 PolarHBondContact O-N 2.92Å
272A44.6Very low48.8Very low66 Ų66121.5 Ų121.555%0.54567%0.668SS.*Hα-helixtrans-66.7-44.1176.300000112A274 V275 E276A272-A274 PolarHBondContact O-N 2.63Å; A272-V275 PolarHBondContact O-N 3.43Å; A272-E276 PolarHBondContact O-N 3.21Å
273A59.2Low50.5Low63 Ų63118.8 Ų118.852%0.52165%0.653SS.*Hα-helixtrans-63.1-41.117700000112.5V275 E276 E277A273-V275 VanDerWaalsContact C-N 3.34Å; A273-V275 PolarHBondContact O-N 3.03Å; A273-E276 PolarHBondContact O-N 3.35Å; A273-E277 WeakPolarHBondContact O-CB 3.2Å; A273-E277 PolarHBondContact O-N 3.36Å
274A61.3Low52.1Low46 Ų46116.4 Ų116.438%0.3864%0.636SS.*Hα-helixtrans-66.3-32.8177.700000113.3G270 A272 K278G270-A274 PolarHBondContact O-N 2.53Å; A272-A274 PolarHBondContact O-N 2.63Å; A274-K278 WeakPolarHBondContact O-CG 3.2Å; A274-K278 PolarHBondContact O-N 3Å
275V51.3Low53.7Low98 Ų98113.1 Ų113.159%0.59462%0.622SS**Hα-helixtrans-73-41.6175.4172.20000110.9K271 A272 A273 K278 F279K271-V275 VanDerWaalsContact O-CG2 3.31Å; K271-V275 WeakPolarHBondContact O-CG2 3.5Å; K271-V275 PolarHBondContact O-N 2.92Å; A272-V275 PolarHBondContact O-N 3.43Å; A273-V275 VanDerWaalsContact C-N 3.34Å; A273-V275 PolarHBondContact O-N 3.03Å; V275-K278 PolarHBondContact O-N 3.47Å; V275-F279 WeakPolarHBondContact O-CB 2.95Å; V275-F279 PolarHBondContact O-N 3.09Å
276E57.8Low54.9Low138 Ų138107.7 Ų107.765%0.64560%0.602SS**Hα-helixtrans-62.8-42.2176.8-161.870-15000111.7A272 A273 F279 K280A272-E276 PolarHBondContact O-N 3.21Å; A273-E276 PolarHBondContact O-N 3.35Å; E276-F279 PolarHBondContact O-N 2.99Å; E276-K280 PolarHBondContact O-N 3.27Å
277E67.8Low56.3Low108 Ų108103.6 Ų103.651%0.50558%0.576SS.*Hα-helixtrans-64.6-42.2176.9-164.8-165.314900112A273 F279 K280 K281A273-E277 WeakPolarHBondContact O-CB 3.2Å; A273-E277 PolarHBondContact O-N 3.36Å; E277-F279 VanDerWaalsContact C-N 3.33Å; E277-F279 PolarHBondContact O-N 3.37Å; E277-K280 PolarHBondContact O-N 2.85Å; E277-K281 WeakPolarHBondContact O-CG 3.39Å; E277-K281 PolarHBondContact O-N 3.44Å; E277-K281 WeakPolarHBondContact OE1-CE 3.48Å; E277-K281 IonicContact OE1-NZ 3.62Å; E277-K281 PolarHBondContact OE1-NZ 2.93Å
278K64Low57.9Low155 Ų155103.9 Ų103.967%0.67457%0.566SS**Hα-helixtrans-62.6-39.9174.1-76.9-178.5-179.4-173.50111.8A274 V275 M282A274-K278 WeakPolarHBondContact O-CG 3.2Å; A274-K278 PolarHBondContact O-N 3Å; V275-K278 PolarHBondContact O-N 3.47Å; K278-M282 WeakPolarHBondContact O-CB 3.44Å; K278-M282 PolarHBondContact O-N 3.48Å
279F56.9Low59.1Low141 Ų141104.9 Ų104.962%0.61856%0.564SS**Hα-helixtrans-66.4-40.2177.8-156.7-91.2000111.8V275 E276 E277 M282 K283V275-F279 WeakPolarHBondContact O-CB 2.95Å; V275-F279 PolarHBondContact O-N 3.09Å; E276-F279 PolarHBondContact O-N 2.99Å; E277-F279 VanDerWaalsContact C-N 3.33Å; E277-F279 PolarHBondContact O-N 3.37Å; F279-M282 PolarHBondContact O-N 3.04Å; F279-K283 WeakPolarHBondContact O-CB 3.26Å; F279-K283 PolarHBondContact O-N 3.29Å
280K70.5Confident60.4Low140 Ų140106.3 Ų106.361%0.60955%0.552SS**Hα-helixtrans-63.3-49.1175-168.6176.4179.3-177.40111.7E276 E277 M282 K283 D284E276-K280 PolarHBondContact O-N 3.27Å; E277-K280 PolarHBondContact O-N 2.85Å; K280-M282 VanDerWaalsContact C-N 3.32Å; K280-M282 PolarHBondContact O-N 2.94Å; K280-K283 WeakPolarHBondContact O-CB 3.18Å; K280-K283 PolarHBondContact O-N 2.99Å; K280-K283 VanDerWaalsContact O-N 3.15Å; K280-D284 VanDerWaalsContact O-CG 3.3Å; K280-D284 PolarHBondContact O-N 2.94Å
281K72.5Confident61.6Low128 Ų128107.8 Ų107.856%0.55755%0.547SS*.Hα-helixtrans-57.7-42.4175.7-75.6174.4170.8166.50112.5E277 D284 A285E277-K281 WeakPolarHBondContact O-CG 3.39Å; E277-K281 PolarHBondContact O-N 3.44Å; E277-K281 WeakPolarHBondContact OE1-CE 3.48Å; E277-K281 IonicContact OE1-NZ 3.62Å; E277-K281 PolarHBondContact OE1-NZ 2.93Å; K281-D284 PolarHBondContact O-N 2.92Å; K281-A285 WeakPolarHBondContact O-CB 3.46Å; K281-A285 PolarHBondContact O-N 3.23Å
282M56.7Low63Low138 Ų138105.7 Ų105.768%0.6854%0.54SS*.Hα-helixtrans-67.8-37.2177.7-172.8174.8-76.600112.4K278 F279 K280 Y286K278-M282 WeakPolarHBondContact O-CB 3.44Å; K278-M282 PolarHBondContact O-N 3.48Å; F279-M282 PolarHBondContact O-N 3.04Å; K280-M282 VanDerWaalsContact C-N 3.32Å; K280-M282 PolarHBondContact O-N 2.94Å; M282-Y286 WeakPolarHBondContact O-CB 3.35Å; M282-Y286 PolarHBondContact O-N 3.47Å
283K61.2Low63.9Low121 Ų121107.3 Ų107.353%0.52654%0.536SS..Hα-helixtrans-65-43.1175.1-174-177.5178.1-174.30111.7F279 K280 Y286 N287F279-K283 WeakPolarHBondContact O-CB 3.26Å; F279-K283 PolarHBondContact O-N 3.29Å; K280-K283 WeakPolarHBondContact O-CB 3.18Å; K280-K283 PolarHBondContact O-N 2.99Å; K280-K283 VanDerWaalsContact O-N 3.15Å; K283-Y286 PolarHBondContact O-N 3.34Å; K283-N287 WeakPolarHBondContact O-CB 3.42Å; K283-N287 VanDerWaalsContact O-CG 3.26Å; K283-N287 PolarHBondContact O-N 2.89Å; K283-N287 PolarHBondContact O-ND2 2.87Å
284D70.5Confident64.3Low85 Ų85107.4 Ų107.446%0.45553%0.527SS..Hα-helixtrans-66.6-41.2178.2-63.7-21000110.8K280 K281 N287 S288K280-D284 VanDerWaalsContact O-CG 3.3Å; K280-D284 PolarHBondContact O-N 2.94Å; K281-D284 PolarHBondContact O-N 2.92Å; D284-N287 PolarHBondContact O-N 3.3Å; D284-S288 WeakPolarHBondContact O-CB 3.21Å; D284-S288 PolarHBondContact O-N 3.49Å
285A65.6Low64.9Low61 Ų61110 Ų11050%0.50453%0.53SS..Hα-helixtrans-62.3-43.1173.700000112.9K281 S288 L289K281-A285 WeakPolarHBondContact O-CB 3.46Å; K281-A285 PolarHBondContact O-N 3.23Å; A285-S288 PolarHBondContact O-N 3.2Å; A285-L289 WeakPolarHBondContact O-CB 3.49Å; A285-L289 PolarHBondContact O-N 3.32Å
286Y55.7Low65.7Low131 Ų131109.2 Ų109.251%0.51453%0.525SS..Hα-helixtrans-65.4-41.5176.7179.6-93.5000112.3M282 K283 L289 R290M282-Y286 WeakPolarHBondContact O-CB 3.35Å; M282-Y286 PolarHBondContact O-N 3.47Å; K283-Y286 PolarHBondContact O-N 3.34Å; Y286-L289 PolarHBondContact O-N 2.85Å; Y286-R290 VanDerWaalsContact O-CB 3.28Å; Y286-R290 WeakPolarHBondContact O-CB 3.33Å; Y286-R290 PolarHBondContact O-N 3.09Å
287N61.1Low66.2Low61 Ų61106.2 Ų106.233%0.32651%0.513SS..Hα-helixtrans-63.8-43.9176.1-71.2-23.4000110.9K283 D284 L289 R290 D291K283-N287 WeakPolarHBondContact O-CB 3.42Å; K283-N287 VanDerWaalsContact O-CG 3.26Å; K283-N287 PolarHBondContact O-N 2.89Å; K283-N287 PolarHBondContact O-ND2 2.87Å; D284-N287 PolarHBondContact O-N 3.3Å; N287-L289 PolarHBondContact O-N 3.43Å; N287-R290 WeakPolarHBondContact O-CB 3.29Å; N287-R290 PolarHBondContact O-N 3.35Å; N287-D291 VanDerWaalsContact O-CG 3.23Å; N287-D291 PolarHBondContact O-N 3Å
288S68.2Low66.2Low73 Ų73103.7 Ų103.751%0.5151%0.505SS..Hα-helixtrans-59.5-45.8175.6-168.60000112.1D284 A285 R290 D291 E292D284-S288 WeakPolarHBondContact O-CB 3.21Å; D284-S288 PolarHBondContact O-N 3.49Å; A285-S288 PolarHBondContact O-N 3.2Å; S288-R290 VanDerWaalsContact C-N 3.33Å; S288-R290 PolarHBondContact O-N 3.47Å; S288-D291 PolarHBondContact O-N 3.39Å; S288-E292 WeakPolarHBondContact O-CG 3.22Å; S288-E292 PolarHBondContact O-N 3.48Å
289L66.6Low66.6Low121 Ų121100.9 Ų100.963%0.63450%0.498SS*.Hα-helixtrans-66.9-36178.9-167.971.4000112A285 Y286 N287 H293A285-L289 WeakPolarHBondContact O-CB 3.49Å; A285-L289 PolarHBondContact O-N 3.32Å; Y286-L289 PolarHBondContact O-N 2.85Å; N287-L289 PolarHBondContact O-N 3.43Å; L289-H293 WeakPolarHBondContact O-CB 3.27Å; L289-H293 PolarHBondContact O-N 2.76Å
290R66.5Low67.2Low139 Ų13998.2 Ų98.253%0.52549%0.489SS..Hα-helixtrans-64.9-43.4174.7179.4-178.9177.9-120.1-3.2111.3Y286 N287 S288 H293 I294Y286-R290 VanDerWaalsContact O-CB 3.28Å; Y286-R290 WeakPolarHBondContact O-CB 3.33Å; Y286-R290 PolarHBondContact O-N 3.09Å; N287-R290 WeakPolarHBondContact O-CB 3.29Å; N287-R290 PolarHBondContact O-N 3.35Å; S288-R290 VanDerWaalsContact C-N 3.33Å; S288-R290 PolarHBondContact O-N 3.47Å; R290-H293 PolarHBondContact O-N 3.31Å; R290-I294 HydrophobicContact CG-CD1 3.99Å; R290-I294 VanDerWaalsContact O-CG1 3.26Å; R290-I294 WeakPolarHBondContact O-CG1 3.32Å; R290-I294 PolarHBondContact O-N 3.17Å
291D70.7Confident67Low84 Ų8495.8 Ų95.845%0.44949%0.486SS..Hα-helixtrans-67.6-40.8179.4-66.6-16.5000110.6N287 S288 H293 I294 K295N287-D291 VanDerWaalsContact O-CG 3.23Å; N287-D291 PolarHBondContact O-N 3Å; S288-D291 PolarHBondContact O-N 3.39Å; D291-H293 PolarHBondContact O-N 2.59Å; D291-I294 PolarHBondContact O-N 3.28Å; D291-K295 WeakPolarHBondContact O-CG 3.41Å; D291-K295 PolarHBondContact O-N 2.83Å
292E73.3Confident66.9Low123 Ų12392.6 Ų92.658%0.57548%0.477SS*.Hα-helixtrans-59.7-45.5170.7-71.4-127.7143.400112S288 I294 K295 T296S288-E292 WeakPolarHBondContact O-CG 3.22Å; S288-E292 PolarHBondContact O-N 3.48Å; E292-I294 VanDerWaalsContact C-N 3.34Å; E292-I294 PolarHBondContact O-N 3.03Å; E292-K295 WeakPolarHBondContact O-CB 3.48Å; E292-K295 PolarHBondContact O-N 2.95Å; E292-T296 PolarHBondContact O-N 3.27Å; E292-T296 PolarHBondContact O-OG1 3.44Å
293H63.7Low67.6Low99 Ų9990 Ų9046%0.45847%0.466SS..Hα-helixtrans-63.4-38.8178.5-173.769.6000112.7L289 R290 D291 T296 L297L289-H293 WeakPolarHBondContact O-CB 3.27Å; L289-H293 PolarHBondContact O-N 2.76Å; R290-H293 PolarHBondContact O-N 3.31Å; D291-H293 PolarHBondContact O-N 2.59Å; H293-T296 PolarHBondContact O-N 3Å; H293-L297 WeakPolarHBondContact O-CG 3.47Å; H293-L297 PolarHBondContact O-N 3.13Å
294I69Low68Low65 Ų6588 Ų8833%0.33346%0.459SS..Hα-helixtrans-62.9-45174.2-69.7165.6000109.9R290 D291 E292 T296 L297 V298R290-I294 HydrophobicContact CG-CD1 3.99Å; R290-I294 VanDerWaalsContact O-CG1 3.26Å; R290-I294 WeakPolarHBondContact O-CG1 3.32Å; R290-I294 PolarHBondContact O-N 3.17Å; D291-I294 PolarHBondContact O-N 3.28Å; E292-I294 VanDerWaalsContact C-N 3.34Å; E292-I294 PolarHBondContact O-N 3.03Å; I294-T296 PolarHBondContact O-N 3.23Å; I294-L297 PolarHBondContact O-N 2.87Å; I294-V298 HydrophobicContact CG2-CG2 4.5Å; I294-V298 WeakPolarHBondContact O-CG2 3.36Å; I294-V298 PolarHBondContact O-N 3.33Å
295K72.8Confident68Low102 Ų10288.5 Ų88.544%0.44346%0.457SS..Hα-helixtrans-58.4-46174.5-74.2179.5-179.4-172.10112D291 E292 L297 V298 N299 E451D291-K295 WeakPolarHBondContact O-CG 3.41Å; D291-K295 PolarHBondContact O-N 2.83Å; E292-K295 WeakPolarHBondContact O-CB 3.48Å; E292-K295 PolarHBondContact O-N 2.95Å; K295-L297 VanDerWaalsContact C-N 3.32Å; K295-L297 PolarHBondContact O-N 3.4Å; K295-V298 PolarHBondContact O-N 3.32Å; K295-N299 PolarHBondContact O-N 3.13Å; K295-E451 WeakPolarHBondContact CE-OE1 3.48Å; K295-E451 VanDerWaalsContact CG-OE1 3.31Å; K295-E451 WeakPolarHBondContact CG-OE1 3.25Å
296T68.1Low68.3Low80 Ų8089.1 Ų89.149%0.49145%0.449SS..Hα-helixtrans-61.7-41.2178.3-37.10000111.3E292 H293 I294 N299 L300E292-T296 PolarHBondContact O-N 3.27Å; E292-T296 PolarHBondContact O-OG1 3.44Å; H293-T296 PolarHBondContact O-N 3Å; I294-T296 PolarHBondContact O-N 3.23Å; T296-N299 PolarHBondContact O-N 3.17Å; T296-L300 WeakPolarHBondContact O-CB 3.44Å; T296-L300 PolarHBondContact O-N 3.4Å
297L67.9Low68.9Low76 Ų7683.8 Ų83.840%0.39843%0.431SS..Hα-helixtrans-65.6-42.7177.7-75.7171.7000112.7H293 I294 K295 L300 T301H293-L297 WeakPolarHBondContact O-CG 3.47Å; H293-L297 PolarHBondContact O-N 3.13Å; I294-L297 PolarHBondContact O-N 2.87Å; K295-L297 VanDerWaalsContact C-N 3.32Å; K295-L297 PolarHBondContact O-N 3.4Å; L297-L300 PolarHBondContact O-N 2.81Å; L297-T301 PolarHBondContact O-N 2.98Å; L297-T301 PolarHBondContact O-OG1 2.84Å
298V68.6Low69.2Low54 Ų5485.2 Ų85.233%0.32744%0.436SS..Hα-helixtrans-61.4-47.8176.5173.10000109.9I294 K295 L300 T301 T302I294-V298 HydrophobicContact CG2-CG2 4.5Å; I294-V298 WeakPolarHBondContact O-CG2 3.36Å; I294-V298 PolarHBondContact O-N 3.33Å; K295-V298 PolarHBondContact O-N 3.32Å; V298-L300 VanDerWaalsContact C-N 3.33Å; V298-L300 PolarHBondContact O-N 2.99Å; V298-T301 WeakPolarHBondContact O-CB 3.48Å; V298-T301 PolarHBondContact O-N 3.39Å; V298-T302 PolarHBondContact O-N 3.18Å; V298-T302 PolarHBondContact O-OG1 3.4Å
299N72.3Confident69.4Low97 Ų9784.9 Ų84.952%0.51943%0.426SS..Hα-helixtrans-61.5-38.3177.2-70.2-0.9000112.8K295 T296 T301 T302 L303K295-N299 PolarHBondContact O-N 3.13Å; T296-N299 PolarHBondContact O-N 3.17Å; N299-T301 VanDerWaalsContact C-N 3.28Å; N299-T301 PolarHBondContact O-N 3.03Å; N299-T302 WeakPolarHBondContact CA-OG1 3.22Å; N299-T302 PolarHBondContact O-N 3.04Å; N299-T302 PolarHBondContact O-OG1 2.93Å; N299-L303 WeakPolarHBondContact O-CB 3.33Å; N299-L303 VanDerWaalsContact O-CG 3.26Å; N299-L303 WeakPolarHBondContact O-CG 3.39Å; N299-L303 PolarHBondContact O-N 2.97Å
300L70Confident69.6Low85 Ų8585.7 Ų85.745%0.44543%0.426SS..Hα-helixtrans-64.3-37.3174.6-125.7154.7000111.3T296 L297 V298 Q304T296-L300 WeakPolarHBondContact O-CB 3.44Å; T296-L300 PolarHBondContact O-N 3.4Å; L297-L300 PolarHBondContact O-N 2.81Å; V298-L300 VanDerWaalsContact C-N 3.33Å; V298-L300 PolarHBondContact O-N 2.99Å; L300-Q304 HydrophobicContact CD2-CG 4.39Å; L300-Q304 WeakPolarHBondContact O-CB 3.41Å; L300-Q304 VanDerWaalsContact O-CG 3.28Å; L300-Q304 WeakPolarHBondContact O-CG 3.27Å; L300-Q304 PolarHBondContact O-N 2.89Å
301T66.6Low69.7Low88 Ų8881 Ų8154%0.5441%0.41SS..Hα-helixtrans-71.5-38.2179.9-42.70000111.7L297 V298 N299 K305L297-T301 PolarHBondContact O-N 2.98Å; L297-T301 PolarHBondContact O-OG1 2.84Å; V298-T301 WeakPolarHBondContact O-CB 3.48Å; V298-T301 PolarHBondContact O-N 3.39Å; N299-T301 VanDerWaalsContact C-N 3.28Å; N299-T301 PolarHBondContact O-N 3.03Å; T301-K305 PolarHBondContact O-N 3.49Å; T301-K305 VanDerWaalsContact O-N 3.17Å
302T69.3Low69.8Low61 Ų6181.9 Ų81.937%0.37441%0.414SS..Hα-helixtrans-67.4-47.2175.453.90000111.2V298 N299 Q304 K305 E306V298-T302 PolarHBondContact O-N 3.18Å; V298-T302 PolarHBondContact O-OG1 3.4Å; N299-T302 WeakPolarHBondContact CA-OG1 3.22Å; N299-T302 PolarHBondContact O-N 3.04Å; N299-T302 PolarHBondContact O-OG1 2.93Å; T302-Q304 VanDerWaalsContact C-N 3.32Å; T302-Q304 PolarHBondContact O-N 2.81Å; T302-K305 WeakPolarHBondContact O-CB 3.48Å; T302-K305 PolarHBondContact O-N 3.23Å; T302-K305 VanDerWaalsContact O-N 3.14Å; T302-E306 WeakPolarHBondContact O-CG 3.48Å; T302-E306 PolarHBondContact O-N 3.46Å
303L72.7Confident69.7Low83 Ų8378.8 Ų78.844%0.43541%0.409SS..Hα-helixtrans-61.9-36.8176.1-70.9172000112.7N299 E306 S307N299-L303 WeakPolarHBondContact O-CB 3.33Å; N299-L303 VanDerWaalsContact O-CG 3.26Å; N299-L303 WeakPolarHBondContact O-CG 3.39Å; N299-L303 PolarHBondContact O-N 2.97Å; L303-E306 PolarHBondContact O-N 3.45Å; L303-S307 PolarHBondContact O-N 2.81Å
304Q68.2Low70.1Confident81 Ų8179 Ų7938%0.37941%0.413SS..Hα-helixtrans-63.5-41.2174.2-84.4-170.9-48.800112.4L300 T302 E306 S307 E308L300-Q304 HydrophobicContact CD2-CG 4.39Å; L300-Q304 WeakPolarHBondContact O-CB 3.41Å; L300-Q304 VanDerWaalsContact O-CG 3.28Å; L300-Q304 WeakPolarHBondContact O-CG 3.27Å; L300-Q304 PolarHBondContact O-N 2.89Å; T302-Q304 VanDerWaalsContact C-N 3.32Å; T302-Q304 PolarHBondContact O-N 2.81Å; Q304-E306 VanDerWaalsContact C-N 3.34Å; Q304-S307 PolarHBondContact O-N 3.28Å; Q304-E308 PolarHBondContact O-N 2.8Å
305K70.8Confident70.2Confident94 Ų9482 Ų8241%0.40943%0.425SS..Hα-helixtrans-63.8-42176.6-173.7-179.8176.5-178.60111.2T301 T302 E308 E309T301-K305 PolarHBondContact O-N 3.49Å; T301-K305 VanDerWaalsContact O-N 3.17Å; T302-K305 WeakPolarHBondContact O-CB 3.48Å; T302-K305 PolarHBondContact O-N 3.23Å; T302-K305 VanDerWaalsContact O-N 3.14Å; K305-E308 PolarHBondContact O-N 3.08Å; K305-E309 VanDerWaalsContact CE-OE1 3.23Å; K305-E309 WeakPolarHBondContact CE-OE1 3.37Å; K305-E309 VanDerWaalsContact O-CG 3.32Å; K305-E309 WeakPolarHBondContact O-CG 3.29Å; K305-E309 PolarHBondContact O-N 3.45Å
306E71.4Confident70.1Confident75 Ų7579.5 Ų79.535%0.3542%0.421SS..Hα-helixtrans-63.2-41.7176.1-69.8172.9-177.600112.4T302 L303 Q304 E309 Q310T302-E306 WeakPolarHBondContact O-CG 3.48Å; T302-E306 PolarHBondContact O-N 3.46Å; L303-E306 PolarHBondContact O-N 3.45Å; Q304-E306 VanDerWaalsContact C-N 3.34Å; E306-E309 PolarHBondContact O-N 3.11Å; E306-Q310 WeakPolarHBondContact O-CG 3.41Å; E306-Q310 PolarHBondContact O-N 3Å
307S69.1Low70.1Confident19 Ų1978.4 Ų78.413%0.13342%0.42CS..Hα-helixtrans-63.7-40.6176.4-1770000112.5L303 Q304 Q310 K311L303-S307 PolarHBondContact O-N 2.81Å; Q304-S307 PolarHBondContact O-N 3.28Å; S307-Q310 PolarHBondContact O-N 3.13Å; S307-K311 PolarHBondContact O-N 3.02Å
308E67.9Low70.1Confident90 Ų9080 Ų8042%0.42143%0.426SS..Hα-helixtrans-71.2-38.1179.9-156.963.7-164.500111.9Q304 K305 Q310 K311 I312Q304-E308 PolarHBondContact O-N 2.8Å; K305-E308 PolarHBondContact O-N 3.08Å; E308-Q310 VanDerWaalsContact C-N 3.34Å; E308-Q310 PolarHBondContact O-N 3.16Å; E308-K311 PolarHBondContact O-N 2.75Å; E308-K311 WeakPolarHBondContact OE2-CD 3.45Å; E308-K311 IonicContact OE2-NZ 2.67Å; E308-K311 PolarHBondContact OE2-NZ 2.94Å; E308-I312 WeakPolarHBondContact O-CG1 3.34Å; E308-I312 PolarHBondContact O-N 3.33Å
309E71.6Confident70.1Confident66 Ų6683.8 Ų83.831%0.30844%0.44SS..Hα-helixtrans-63.8-38.8172.6-71.1176.7-162.800112K305 E306 K311 I312 A313 R354K305-E309 VanDerWaalsContact CE-OE1 3.23Å; K305-E309 WeakPolarHBondContact CE-OE1 3.37Å; K305-E309 VanDerWaalsContact O-CG 3.32Å; K305-E309 WeakPolarHBondContact O-CG 3.29Å; K305-E309 PolarHBondContact O-N 3.45Å; E306-E309 PolarHBondContact O-N 3.11Å; E309-K311 PolarHBondContact O-N 3Å; E309-I312 PolarHBondContact O-N 3.46Å; E309-A313 WeakPolarHBondContact O-CB 3.39Å; E309-A313 PolarHBondContact O-N 3.17Å; E309-R354 VanDerWaalsContact CD-NH2 3.28Å; E309-R354 IonicContact OE1-NH2 3.88Å; E309-R354 PolarHBondContact OE1-NH2 3.49Å; E309-R354 VanDerWaalsContact OE1-NH2 3.11Å; E309-R354 IonicContact OE2-CZ 3.43Å; E309-R354 IonicContact OE2-NH1 2.86Å; E309-R354 PolarHBondContact OE2-NH1 2.91Å; E309-R354 IonicContact OE2-NH2 2.83Å; E309-R354 PolarHBondContact OE2-NH2 3.29Å
310Q71.5Confident69.7Low138 Ų13881.7 Ų81.765%0.64543%0.428SS*.Hα-helixtrans-64-36.9172.9-75.4178.6-0.200112.7E306 S307 E308 L314E306-Q310 WeakPolarHBondContact O-CG 3.41Å; E306-Q310 PolarHBondContact O-N 3Å; S307-Q310 PolarHBondContact O-N 3.13Å; E308-Q310 VanDerWaalsContact C-N 3.34Å; E308-Q310 PolarHBondContact O-N 3.16Å; Q310-L314 WeakPolarHBondContact O-CB 3.18Å; Q310-L314 PolarHBondContact O-N 3.38Å
311K69Low69.4Low41 Ų4180.3 Ų80.318%0.17843%0.426CS..Hα-helixtrans-71.6-40.3175.8-78.6162.4179.4162.80113.3S307 E308 E309 A313 L314 Q315 L594S307-K311 PolarHBondContact O-N 3.02Å; E308-K311 PolarHBondContact O-N 2.75Å; E308-K311 WeakPolarHBondContact OE2-CD 3.45Å; E308-K311 IonicContact OE2-NZ 2.67Å; E308-K311 PolarHBondContact OE2-NZ 2.94Å; E309-K311 PolarHBondContact O-N 3Å; K311-A313 PolarHBondContact O-N 3.32Å; K311-L314 CarbonylContact O-C 3.09Å; K311-L314 WeakPolarHBondContact O-CB 3.36Å; K311-L314 PolarHBondContact O-N 3.45Å; K311-L314 VanDerWaalsContact O-N 3.11Å; K311-Q315 WeakPolarHBondContact O-CB 3.22Å; K311-Q315 PolarHBondContact O-N 2.84Å; K311-L594 HydrophobicContact CD-CD1 4.47Å; K311-L594 VanDerWaalsContact NZ-CD2 3.29Å
312I72.5Confident69.1Low102 Ų10282.9 Ų82.952%0.52343%0.432SS..Hα-helixtrans-60.7-42.7175.2-68167.5000108.8E308 E309 Q315 S316E308-I312 WeakPolarHBondContact O-CG1 3.34Å; E308-I312 PolarHBondContact O-N 3.33Å; E309-I312 PolarHBondContact O-N 3.46Å; I312-Q315 PolarHBondContact O-N 2.67Å; I312-S316 WeakPolarHBondContact O-CB 3.48Å; I312-S316 PolarHBondContact O-N 2.97Å; I312-S316 PolarHBondContact O-OG 3.01Å
313A70.4Confident68.7Low58 Ų5884 Ų8448%0.47944%0.438SS..Hα-helixtrans-62-39.3172.600000112.7E309 K311 S316 A317E309-A313 WeakPolarHBondContact O-CB 3.39Å; E309-A313 PolarHBondContact O-N 3.17Å; K311-A313 PolarHBondContact O-N 3.32Å; A313-S316 WeakPolarHBondContact CA-OG 3.45Å; A313-S316 PolarHBondContact O-OG 2.85Å; A313-A317 VanDerWaalsContact O-CB 3.31Å; A313-A317 WeakPolarHBondContact O-CB 3.34Å; A313-A317 PolarHBondContact O-N 3.12Å
314L73.3Confident68.1Low105 Ų10582.7 Ų82.755%0.5543%0.431SS..Hα-helixtrans-67.6-44176.2-164.284000112.3Q310 K311 A317 Q318Q310-L314 WeakPolarHBondContact O-CB 3.18Å; Q310-L314 PolarHBondContact O-N 3.38Å; K311-L314 CarbonylContact O-C 3.09Å; K311-L314 WeakPolarHBondContact O-CB 3.36Å; K311-L314 PolarHBondContact O-N 3.45Å; K311-L314 VanDerWaalsContact O-N 3.11Å; L314-A317 PolarHBondContact O-N 2.92Å; L314-Q318 WeakPolarHBondContact O-CB 3.42Å; L314-Q318 WeakPolarHBondContact O-CG 3.41Å; L314-Q318 PolarHBondContact O-N 2.79Å
315Q71Confident67.6Low126 Ų12686.7 Ų86.759%0.58945%0.45SS*.Hα-helixtrans-65.5-40.8177.6-88.2-173.9-31.600111.8K311 I312 Q318 Q319K311-Q315 WeakPolarHBondContact O-CB 3.22Å; K311-Q315 PolarHBondContact O-N 2.84Å; I312-Q315 PolarHBondContact O-N 2.67Å; Q315-Q318 PolarHBondContact O-N 3.43Å; Q315-Q319 PolarHBondContact O-N 3Å
316S69.6Low66.9Low51 Ų5185.3 Ų85.336%0.35746%0.462SS..Hα-helixtrans-67.3-38.5173.740.60000111.4I312 A313 Q318 Q319 I320I312-S316 WeakPolarHBondContact O-CB 3.48Å; I312-S316 PolarHBondContact O-N 2.97Å; I312-S316 PolarHBondContact O-OG 3.01Å; A313-S316 WeakPolarHBondContact CA-OG 3.45Å; A313-S316 PolarHBondContact O-OG 2.85Å; S316-Q318 VanDerWaalsContact C-N 3.32Å; S316-Q318 PolarHBondContact O-N 2.64Å; S316-Q319 PolarHBondContact O-N 3.07Å; S316-I320 WeakPolarHBondContact O-CB 3.38Å; S316-I320 WeakPolarHBondContact O-CD1 3.34Å; S316-I320 WeakPolarHBondContact O-CG1 3.07Å; S316-I320 PolarHBondContact O-N 3.5Å
317A69.1Low66.1Low57 Ų5787.9 Ų87.947%0.47147%0.474SS..Hα-helixtrans-62.6-36.5170.600000112.9A313 L314 S321A313-A317 VanDerWaalsContact O-CB 3.31Å; A313-A317 WeakPolarHBondContact O-CB 3.34Å; A313-A317 PolarHBondContact O-N 3.12Å; L314-A317 PolarHBondContact O-N 2.92Å; A317-S321 PolarHBondContact O-N 2.95Å
318Q67.4Low65.2Low109 Ų10996.8 Ų96.851%0.50951%0.514SS..Hα-helixtrans-69.3-45.9175.7-78.3175.4-27.500112.5L314 Q315 S316 I320 S321 E322L314-Q318 WeakPolarHBondContact O-CB 3.42Å; L314-Q318 WeakPolarHBondContact O-CG 3.41Å; L314-Q318 PolarHBondContact O-N 2.79Å; Q315-Q318 PolarHBondContact O-N 3.43Å; S316-Q318 VanDerWaalsContact C-N 3.32Å; S316-Q318 PolarHBondContact O-N 2.64Å; Q318-I320 VanDerWaalsContact C-N 3.26Å; Q318-I320 PolarHBondContact O-N 3.47Å; Q318-S321 WeakPolarHBondContact O-CA 3.48Å; Q318-S321 WeakPolarHBondContact O-CB 3.12Å; Q318-S321 PolarHBondContact O-N 3.42Å; Q318-S321 VanDerWaalsContact O-N 3.09Å; Q318-E322 PolarHBondContact O-N 2.81Å
319Q68.6Low64.7Low133 Ų13397.7 Ų97.762%0.62152%0.521SS*.Hα-helixtrans-59.6-40174.4-86.1-176.9-28.200111.5Q315 S316 S321 E322 V323Q315-Q319 PolarHBondContact O-N 3Å; S316-Q319 PolarHBondContact O-N 3.07Å; Q319-S321 VanDerWaalsContact C-N 3.33Å; Q319-E322 PolarHBondContact O-N 3.08Å; Q319-V323 WeakPolarHBondContact O-CG2 3.46Å; Q319-V323 PolarHBondContact O-N 3.24Å
320I64Low64.1Low53 Ų53102.4 Ų102.427%0.27254%0.543SS..Hα-helixtrans-67.3-37.2176.6-64.8165.4000110.6S316 Q318 E322 V323 I324 L336 L340S316-I320 WeakPolarHBondContact O-CB 3.38Å; S316-I320 WeakPolarHBondContact O-CD1 3.34Å; S316-I320 WeakPolarHBondContact O-CG1 3.07Å; S316-I320 PolarHBondContact O-N 3.5Å; Q318-I320 VanDerWaalsContact C-N 3.26Å; Q318-I320 PolarHBondContact O-N 3.47Å; I320-E322 PolarHBondContact O-N 3.29Å; I320-V323 PolarHBondContact O-N 2.92Å; I320-I324 HydrophobicContact CG2-CD1 3.86Å; I320-I324 HydrophobicContact CG2-CG1 4.42Å; I320-I324 WeakPolarHBondContact O-CB 3.37Å; I320-I324 WeakPolarHBondContact O-CD1 3.31Å; I320-I324 WeakPolarHBondContact O-CG1 3.32Å; I320-I324 PolarHBondContact O-N 2.89Å; I320-L336 HydrophobicContact CG2-CD2 3.94Å; I320-L340 HydrophobicContact CD1-CD2 3.68Å; I320-L340 HydrophobicContact CG2-CD1 3.31Å; I320-L340 HydrophobicContact CG2-CD2 4.03Å; I320-L340 HydrophobicContact CG2-CG 4.11Å
321S63.4Low63.6Low57 Ų57100.3 Ų100.340%0.39954%0.544SS..Hα-helixtrans-63-35.9172.1-176.70000113.6A317 Q318 Q319 Q325A317-S321 PolarHBondContact O-N 2.95Å; Q318-S321 WeakPolarHBondContact O-CA 3.48Å; Q318-S321 WeakPolarHBondContact O-CB 3.12Å; Q318-S321 PolarHBondContact O-N 3.42Å; Q318-S321 VanDerWaalsContact O-N 3.09Å; Q319-S321 VanDerWaalsContact C-N 3.33Å; S321-Q325 PolarHBondContact O-N 3.44Å
322E61.4Low63.2Low142 Ų142101.5 Ų101.566%0.66456%0.558SS**Hα-helixtrans-71.1-38.6176.7-75.7178.9171.200111.6Q318 Q319 I320 I324 Q325Q318-E322 PolarHBondContact O-N 2.81Å; Q319-E322 PolarHBondContact O-N 3.08Å; I320-E322 PolarHBondContact O-N 3.29Å; E322-I324 VanDerWaalsContact C-N 3.33Å; E322-Q325 PolarHBondContact O-N 3.04Å
323V60.8Low62.6Low84 Ų8498.6 Ų98.651%0.50954%0.543SS..Hα-helixtrans-66-37.1174.1175.20000111.1Q319 I320 Q325 G326Q319-V323 WeakPolarHBondContact O-CG2 3.46Å; Q319-V323 PolarHBondContact O-N 3.24Å; I320-V323 PolarHBondContact O-N 2.92Å; V323-Q325 PolarHBondContact O-N 3.02Å; V323-G326 PolarHBondContact O-N 3.08Å
324I59.1Low62.5Low56 Ų56100.8 Ų100.829%0.28755%0.546SS..Hα-helixtrans-62.8-26.9176.1-73.3165.9000112.7I320 E322 L333 L336 L340I320-I324 HydrophobicContact CG2-CD1 3.86Å; I320-I324 HydrophobicContact CG2-CG1 4.42Å; I320-I324 WeakPolarHBondContact O-CB 3.37Å; I320-I324 WeakPolarHBondContact O-CD1 3.31Å; I320-I324 WeakPolarHBondContact O-CG1 3.32Å; I320-I324 PolarHBondContact O-N 2.89Å; E322-I324 VanDerWaalsContact C-N 3.33Å; I324-L333 HydrophobicContact CB-CD2 3.95Å; I324-L333 HydrophobicContact CG1-CD2 3.67Å; I324-L333 HydrophobicContact CG2-CD2 3.69Å; I324-L336 HydrophobicContact CG1-CD2 4.43Å; I324-L340 HydrophobicContact CD1-CD1 4.13Å
325Q57.4Low62.5Low165 Ų165102.4 Ų102.477%0.77155%0.551SS**THydrogen-bonded Turntrans-85.6-7.5179-72.2-176.7-2.200114.1S321 E322 V323S321-Q325 PolarHBondContact O-N 3.44Å; E322-Q325 PolarHBondContact O-N 3.04Å; V323-Q325 PolarHBondContact O-N 3.02Å
326G57.1Low62.4Low65 Ų65100.2 Ų100.267%0.6754%0.543SS*.THydrogen-bonded Turntrans-109.2-8-169.700000117.3V323V323-G326 PolarHBondContact O-N 3.08Å
327E53.3Low62.6Low129 Ų129100.1 Ų100.160%0.60354%0.542SS*.  trans-125.9120-173.2-67.1-168.1160.100113.4N329E327-N329 PolarHBondContact O-N 3.44Å
328E51Low63Low206 Ų206102.4 Ų102.496%0.96355%0.546SS*.  trans-74.125.7-178.3-65.1-176.2148.400114.9
329N57.8Low63.4Low109 Ų109100.9 Ų100.958%0.58355%0.547SS*.  trans-111.387-178.2-86.1-24.2000112.4E327 S331 S332 L333E327-N329 PolarHBondContact O-N 3.44Å; N329-S331 VanDerWaalsContact C-N 3.27Å; N329-S331 PolarHBondContact O-N 3.44Å; N329-S331 VanDerWaalsContact O-N 3.14Å; N329-S332 PolarHBondContact O-N 3.39Å; N329-L333 PolarHBondContact O-N 2.92Å
330E57.6Low63.6Low164 Ų16497 Ų9777%0.76653%0.53SS*.Hα-helixtrans-52.3-32.6-178.6-111.1-176.7163.100115.3N334E330-N334 PolarHBondContact O-N 2.99Å; E330-N334 PolarHBondContact O-ND2 3.46Å
331S62.2Low64.2Low95 Ų9598.5 Ų98.566%0.66454%0.536SS*.Hα-helixtrans-75.1-44-179.5-78.10000113.2N329 L333 N334 E335N329-S331 VanDerWaalsContact C-N 3.27Å; N329-S331 PolarHBondContact O-N 3.44Å; N329-S331 VanDerWaalsContact O-N 3.14Å; S331-L333 VanDerWaalsContact C-N 3.28Å; S331-L333 PolarHBondContact O-N 2.6Å; S331-N334 PolarHBondContact O-N 3.43Å; S331-E335 PolarHBondContact O-N 2.88Å
332S60.4Low64.9Low66 Ų66102.2 Ų102.246%0.46255%0.547SS..Hα-helixtrans-67.2-33.1176.9-48.90000111.5N329 E335 L336N329-S332 PolarHBondContact O-N 3.39Å; S332-E335 PolarHBondContact O-N 3.19Å; S332-L336 WeakPolarHBondContact O-CB 3.27Å; S332-L336 PolarHBondContact O-N 2.69Å
333L58.7Low65.6Low41 Ų41101.2 Ų101.222%0.21555%0.546CS..Hα-helixtrans-62.7-42.6174-101.1165.3000112.8I324 N329 S331 L336 C337I324-L333 HydrophobicContact CB-CD2 3.95Å; I324-L333 HydrophobicContact CG1-CD2 3.67Å; I324-L333 HydrophobicContact CG2-CD2 3.69Å; N329-L333 PolarHBondContact O-N 2.92Å; S331-L333 VanDerWaalsContact C-N 3.28Å; S331-L333 PolarHBondContact O-N 2.6Å; L333-L336 PolarHBondContact O-N 3.11Å; L333-C337 WeakPolarHBondContact O-CB 3.36Å; L333-C337 PolarHBondContact O-N 3.24Å; L333-C337 PolarHBondContact O-SG 2.9Å; L333-C337 VanDerWaalsContact O-SG 3.33Å
334N68.9Low66.3Low103 Ų103103.3 Ų103.355%0.55154%0.544SS*.Hα-helixtrans-67.8-37.7178-80-32.9000112.4E330 S331 C337 N338E330-N334 PolarHBondContact O-N 2.99Å; E330-N334 PolarHBondContact O-ND2 3.46Å; S331-N334 PolarHBondContact O-N 3.43Å; N334-C337 PolarHBondContact O-N 3.45Å; N334-N338 VanDerWaalsContact O-CG 3.3Å; N334-N338 PolarHBondContact O-N 3.41Å; N334-N338 PolarHBondContact O-ND2 2.89Å
335E74Confident67.1Low139 Ų139103.8 Ų103.865%0.6555%0.55SS*.Hα-helixtrans-64.1-43172.8-71.3-178.8178.100111.7S331 S332 N338 C339S331-E335 PolarHBondContact O-N 2.88Å; S332-E335 PolarHBondContact O-N 3.19Å; E335-N338 PolarHBondContact O-N 3.5Å; E335-C339 PolarHBondContact O-N 3.11Å; E335-C339 PolarHBondContact O-SG 2.94Å
336L69.5Low67.8Low80 Ų8098 Ų9842%0.41953%0.531SS..Hα-helixtrans-65.2-41177.5-152.1102.9000112I320 I324 S332 L333 C339 L340I320-L336 HydrophobicContact CG2-CD2 3.94Å; I324-L336 HydrophobicContact CG1-CD2 4.43Å; S332-L336 WeakPolarHBondContact O-CB 3.27Å; S332-L336 PolarHBondContact O-N 2.69Å; L333-L336 PolarHBondContact O-N 3.11Å; L336-C339 PolarHBondContact O-N 3.44Å; L336-L340 HydrophobicContact CD2-CD1 4.35Å; L336-L340 WeakPolarHBondContact O-CB 3.42Å; L336-L340 WeakPolarHBondContact O-CG 3.45Å; L336-L340 PolarHBondContact O-N 3.44Å
337C73.3Confident68.4Low50 Ų5097 Ų9734%0.33852%0.516SS..Hα-helixtrans-63-40.6175.2-79.10000112.5L333 N334 L340 E341L333-C337 WeakPolarHBondContact O-CB 3.36Å; L333-C337 PolarHBondContact O-N 3.24Å; L333-C337 PolarHBondContact O-SG 2.9Å; L333-C337 VanDerWaalsContact O-SG 3.33Å; N334-C337 PolarHBondContact O-N 3.45Å; C337-L340 WeakPolarHBondContact O-CB 3.23Å; C337-L340 PolarHBondContact O-N 3.3Å; C337-E341 PolarHBondContact O-N 3.27Å
338N77.7Confident69.1Low105 Ų10597.3 Ų97.356%0.56151%0.512SS*.Hα-helixtrans-65.3-46.7175.3-73.3-23000111.2N334 E335 L340 E341 E342N334-N338 VanDerWaalsContact O-CG 3.3Å; N334-N338 PolarHBondContact O-N 3.41Å; N334-N338 PolarHBondContact O-ND2 2.89Å; E335-N338 PolarHBondContact O-N 3.5Å; N338-L340 VanDerWaalsContact C-N 3.29Å; N338-L340 PolarHBondContact O-N 3.47Å; N338-E341 PolarHBondContact O-N 3.05Å; N338-E342 WeakPolarHBondContact O-CG 3.48Å; N338-E342 PolarHBondContact O-N 3.27Å
339C75.6Confident69.8Low77 Ų7794.6 Ų94.652%0.5250%0.499SS..Hα-helixtrans-59-39.4174.4-75.30000112.3E335 L336 E342 L343E335-C339 PolarHBondContact O-N 3.11Å; E335-C339 PolarHBondContact O-SG 2.94Å; L336-C339 PolarHBondContact O-N 3.44Å; C339-E342 PolarHBondContact O-N 3.32Å; C339-L343 WeakPolarHBondContact O-CB 3.31Å; C339-L343 PolarHBondContact O-N 2.83Å
340L72.9Confident69.7Low51 Ų5195 Ų9527%0.26750%0.501SS..Hα-helixtrans-64.3-42.6176-88.8167.7000112.8I320 I324 L336 C337 N338 L343 R344I320-L340 HydrophobicContact CD1-CD2 3.68Å; I320-L340 HydrophobicContact CG2-CD1 3.31Å; I320-L340 HydrophobicContact CG2-CD2 4.03Å; I320-L340 HydrophobicContact CG2-CG 4.11Å; I324-L340 HydrophobicContact CD1-CD1 4.13Å; L336-L340 HydrophobicContact CD2-CD1 4.35Å; L336-L340 WeakPolarHBondContact O-CB 3.42Å; L336-L340 WeakPolarHBondContact O-CG 3.45Å; L336-L340 PolarHBondContact O-N 3.44Å; C337-L340 WeakPolarHBondContact O-CB 3.23Å; C337-L340 PolarHBondContact O-N 3.3Å; N338-L340 VanDerWaalsContact C-N 3.29Å; N338-L340 PolarHBondContact O-N 3.47Å; L340-L343 PolarHBondContact O-N 2.93Å; L340-R344 VanDerWaalsContact O-CB 3.26Å; L340-R344 WeakPolarHBondContact O-CB 3.32Å; L340-R344 PolarHBondContact O-N 2.94Å
341E75.4Confident69.5Low85 Ų8592.1 Ų92.140%0.39749%0.494SS..Hα-helixtrans-73.1-31.6177.5-83.2-58.9168.800112.6C337 N338 R344 T345C337-E341 PolarHBondContact O-N 3.27Å; N338-E341 PolarHBondContact O-N 3.05Å; E341-R344 PolarHBondContact O-N 2.76Å; E341-R344 WeakPolarHBondContact OE1-CD 3.48Å; E341-R344 IonicContact OE1-CZ 3.27Å; E341-R344 IonicContact OE1-NH1 3.38Å; E341-R344 PolarHBondContact OE1-NH1 2.83Å; E341-R344 WeakPolarHBondContact OE2-CD 3.33Å; E341-T345 WeakPolarHBondContact O-CB 3.35Å; E341-T345 VanDerWaalsContact O-CG2 3.29Å; E341-T345 WeakPolarHBondContact O-CG2 3.47Å; E341-T345 PolarHBondContact O-N 3.42Å; E341-T345 PolarHBondContact O-OG1 3.45Å
342E78.4Confident68.7Low134 Ų13490.9 Ų90.963%0.62650%0.496SS*.Hα-helixtrans-61.2-44.3166.8-73.3-180-174.300111.4N338 C339 T345 A346N338-E342 WeakPolarHBondContact O-CG 3.48Å; N338-E342 PolarHBondContact O-N 3.27Å; C339-E342 PolarHBondContact O-N 3.32Å; E342-T345 WeakPolarHBondContact CA-OG1 3.45Å; E342-T345 PolarHBondContact O-N 2.98Å; E342-T345 PolarHBondContact O-OG1 3.41Å; E342-A346 WeakPolarHBondContact O-CB 3.34Å; E342-A346 PolarHBondContact O-N 3.12Å
343L76.4Confident67.9Low122 Ų12292 Ų9264%0.63950%0.504SS*.Hα-helixtrans-68.9-37.1178.1-151.7152.2000111.5C339 L340 A346 A347C339-L343 WeakPolarHBondContact O-CB 3.31Å; C339-L343 PolarHBondContact O-N 2.83Å; L340-L343 PolarHBondContact O-N 2.93Å; L343-A346 PolarHBondContact O-N 3.41Å; L343-A347 VanDerWaalsContact O-CB 3.26Å; L343-A347 WeakPolarHBondContact O-CB 3.45Å; L343-A347 PolarHBondContact O-N 2.62Å
344R75.1Confident67.3Low128 Ų12896 Ų9648%0.48352%0.516SS..Hα-helixtrans-67.3-40.9175.4-168.9-175-170-175-1.8111.9L340 E341 A347 R348L340-R344 VanDerWaalsContact O-CB 3.26Å; L340-R344 WeakPolarHBondContact O-CB 3.32Å; L340-R344 PolarHBondContact O-N 2.94Å; E341-R344 PolarHBondContact O-N 2.76Å; E341-R344 WeakPolarHBondContact OE1-CD 3.48Å; E341-R344 IonicContact OE1-CZ 3.27Å; E341-R344 IonicContact OE1-NH1 3.38Å; E341-R344 PolarHBondContact OE1-NH1 2.83Å; E341-R344 WeakPolarHBondContact OE2-CD 3.33Å; R344-A347 PolarHBondContact O-N 2.93Å; R344-R348 WeakPolarHBondContact O-CG 3.44Å; R344-R348 PolarHBondContact O-N 3.39Å
345T76.3Confident66.1Low65 Ų6593.8 Ų93.840%0.39952%0.518SS..Hα-helixtrans-67.3-41.6175.148.70000111.1E341 E342 R348 Q349E341-T345 WeakPolarHBondContact O-CB 3.35Å; E341-T345 VanDerWaalsContact O-CG2 3.29Å; E341-T345 WeakPolarHBondContact O-CG2 3.47Å; E341-T345 PolarHBondContact O-N 3.42Å; E341-T345 PolarHBondContact O-OG1 3.45Å; E342-T345 WeakPolarHBondContact CA-OG1 3.45Å; E342-T345 PolarHBondContact O-N 2.98Å; E342-T345 PolarHBondContact O-OG1 3.41Å; T345-R348 PolarHBondContact O-N 3.45Å; T345-Q349 WeakPolarHBondContact O-CG 3.36Å; T345-Q349 PolarHBondContact O-N 3.4Å
346A73Confident64.9Low45 Ų4595 Ų9537%0.37253%0.529SS..Hα-helixtrans-61.2-42.7171.400000112.4E342 L343 Q349 L350E342-A346 WeakPolarHBondContact O-CB 3.34Å; E342-A346 PolarHBondContact O-N 3.12Å; L343-A346 PolarHBondContact O-N 3.41Å; A346-Q349 PolarHBondContact O-N 2.89Å; A346-L350 WeakPolarHBondContact O-CG 3.41Å; A346-L350 PolarHBondContact O-N 2.87Å
347A69Low64.3Low44 Ų4494.5 Ų94.536%0.36453%0.526SS..Hα-helixtrans-65.7-40.317700000112.5L343 R344 L350 V351L343-A347 VanDerWaalsContact O-CB 3.26Å; L343-A347 WeakPolarHBondContact O-CB 3.45Å; L343-A347 PolarHBondContact O-N 2.62Å; R344-A347 PolarHBondContact O-N 2.93Å; A347-L350 WeakPolarHBondContact O-CB 3.47Å; A347-L350 PolarHBondContact O-N 3.13Å; A347-V351 WeakPolarHBondContact O-CG2 3.26Å; A347-V351 PolarHBondContact O-N 3.25Å
348R67.6Low63.7Low135 Ų13596.1 Ų96.151%0.50953%0.531SS..Hα-helixtrans-65.2-38.9173.5-75.2-174.6-165.5132.7-6.4112.1R344 T345 L350 V351 G352R344-R348 WeakPolarHBondContact O-CG 3.44Å; R344-R348 PolarHBondContact O-N 3.39Å; T345-R348 PolarHBondContact O-N 3.45Å; R348-L350 VanDerWaalsContact C-N 3.33Å; R348-V351 PolarHBondContact O-N 2.68Å; R348-G352 PolarHBondContact O-N 2.97Å
349Q65.8Low62.9Low148 Ų14893.7 Ų93.769%0.69252%0.52SS*.Hα-helixtrans-62.1-43173.3-75-178.4-3.700110.8T345 A346 V351 G352 S353T345-Q349 WeakPolarHBondContact O-CG 3.36Å; T345-Q349 PolarHBondContact O-N 3.4Å; A346-Q349 PolarHBondContact O-N 2.89Å; Q349-V351 PolarHBondContact O-N 3.27Å; Q349-G352 PolarHBondContact O-N 3.16Å; Q349-S353 PolarHBondContact O-N 3.34Å; Q349-S353 VanDerWaalsContact O-N 3.08Å; Q349-S353 PolarHBondContact O-OG 2.86Å
350L54.9Low62.4Low119 Ų11993.7 Ų93.762%0.62352%0.515SS*.Hα-helixtrans-60.7-41.7175.2-81.8160.8000112.9A346 A347 R348 S353 R354A346-L350 WeakPolarHBondContact O-CG 3.41Å; A346-L350 PolarHBondContact O-N 2.87Å; A347-L350 WeakPolarHBondContact O-CB 3.47Å; A347-L350 PolarHBondContact O-N 3.13Å; R348-L350 VanDerWaalsContact C-N 3.33Å; L350-S353 WeakPolarHBondContact CA-OG 3.37Å; L350-S353 PolarHBondContact O-N 3.41Å; L350-S353 PolarHBondContact O-OG 2.81Å; L350-R354 WeakPolarHBondContact O-CB 3.29Å; L350-R354 PolarHBondContact O-N 3.18Å
351V54.7Low62.2Low102 Ų10296.7 Ų96.762%0.61853%0.528SS*.Hα-helixtrans-68.6-34.8176.6173.90000111.7A347 R348 Q349 S353 R354A347-V351 WeakPolarHBondContact O-CG2 3.26Å; A347-V351 PolarHBondContact O-N 3.25Å; R348-V351 PolarHBondContact O-N 2.68Å; Q349-V351 PolarHBondContact O-N 3.27Å; V351-S353 VanDerWaalsContact C-N 3.33Å; V351-S353 PolarHBondContact O-N 3.23Å; V351-R354 PolarHBondContact O-N 3.32Å
352G44.1Very low61.9Low70 Ų7092.7 Ų92.772%0.72251%0.509SS*.Hα-helixtrans-68.5-28.2174.500000114.1R348 Q349R348-G352 PolarHBondContact O-N 2.97Å; Q349-G352 PolarHBondContact O-N 3.16Å
353S44.9Very low61.5Low90 Ų9086.7 Ų86.763%0.62948%0.482SS*.THydrogen-bonded Turntrans-90.65.1173.446.20000114.3Q349 L350 V351Q349-S353 PolarHBondContact O-N 3.34Å; Q349-S353 VanDerWaalsContact O-N 3.08Å; Q349-S353 PolarHBondContact O-OG 2.86Å; L350-S353 WeakPolarHBondContact CA-OG 3.37Å; L350-S353 PolarHBondContact O-N 3.41Å; L350-S353 PolarHBondContact O-OG 2.81Å; V351-S353 VanDerWaalsContact C-N 3.33Å; V351-S353 PolarHBondContact O-N 3.23Å
354R45.6Very low61.4Low124 Ų12485.4 Ų85.447%0.46848%0.476SS..  trans-103.416.5-178.3-152176.2-179169.1-0.9113.9E309 L350 V351E309-R354 VanDerWaalsContact CD-NH2 3.28Å; E309-R354 IonicContact OE1-NH2 3.88Å; E309-R354 PolarHBondContact OE1-NH2 3.49Å; E309-R354 VanDerWaalsContact OE1-NH2 3.11Å; E309-R354 IonicContact OE2-CZ 3.43Å; E309-R354 IonicContact OE2-NH1 2.86Å; E309-R354 PolarHBondContact OE2-NH1 2.91Å; E309-R354 IonicContact OE2-NH2 2.83Å; E309-R354 PolarHBondContact OE2-NH2 3.29Å; L350-R354 WeakPolarHBondContact O-CB 3.29Å; L350-R354 PolarHBondContact O-N 3.18Å; V351-R354 PolarHBondContact O-N 3.32Å
355G42.8Very low61.3Low56 Ų5682.1 Ų82.158%0.57747%0.467SS*.SBendtrans-54.4146.5161.300000109.3I357G355-I357 PolarHBondContact O-N 3.5Å; G355-I357 VanDerWaalsContact O-N 3.16Å
356D50.5Low61.5Low165 Ų16579.4 Ų79.488%0.88245%0.449SS*.SBendtrans-20.4115.4177.9-81.3-34.2000111D358D356-D358 PolarHBondContact O-N 2.73Å
357I56.4Low62Low70 Ų7084.3 Ų84.336%0.35946%0.464SS..  trans-44.6114.3178.1-65.2168.2000106G355 V359 L362 M365G355-I357 PolarHBondContact O-N 3.5Å; G355-I357 VanDerWaalsContact O-N 3.16Å; I357-V359 PolarHBondContact O-N 2.77Å; I357-L362 HydrophobicContact CD1-CD1 4.47Å; I357-L362 HydrophobicContact CG2-CB 4.06Å; I357-L362 HydrophobicContact CG2-CD1 3.87Å; I357-M365 HydrophobicContact CD1-CE 4.02Å; I357-M365 HydrophobicContact CG1-CE 4.46Å; I357-M365 HydrophobicContact CG2-CE 4.32Å; I357-M365 HydrophobicContact CG2-SD 3.46Å; I357-M365 WeakPolarHBondContact CG2-SD 3.35Å
358D59.6Low62.8Low84 Ų8489 Ų8945%0.44948%0.476SS..  trans-53.7126.8-176-176.5-2.1000106.5D356 D360 E361 L362D356-D358 PolarHBondContact O-N 2.73Å; D358-D360 PolarHBondContact O-N 3.01Å; D358-D360 PolarHBondContact OD1-N 3.28Å; D358-E361 HydrophobicContact CB-CB 4.23Å; D358-E361 HydrophobicContact CB-CG 4.1Å; D358-E361 WeakPolarHBondContact O-CA 3.49Å; D358-E361 PolarHBondContact O-N 3.38Å; D358-L362 PolarHBondContact O-N 3.14Å
359V61.5Low63.5Low54 Ų5484.2 Ų84.233%0.32746%0.46SS..Hα-helixtrans-56.5-26.1-176.7-161.90000109.4I357 K447 H450I357-V359 PolarHBondContact O-N 2.77Å; V359-K447 HydrophobicContact CB-CG 4.33Å; V359-K447 HydrophobicContact CG1-CG 3.6Å; V359-H450 HydrophobicContact CG1-CB 3.93Å
360D65Low64.6Low76 Ų7677.4 Ų77.441%0.40643%0.428SS..Hα-helixtrans-70.1-35171.3-81.6-55.1000114.9D358 K443 K447D358-D360 PolarHBondContact O-N 3.01Å; D358-D360 PolarHBondContact OD1-N 3.28Å; D360-K443 WeakPolarHBondContact O-CE 3.28Å; D360-K447 VanDerWaalsContact OD1-CE 3.24Å; D360-K447 WeakPolarHBondContact OD1-CE 3.33Å; D360-K447 IonicContact OD1-NZ 3.81Å; D360-K447 PolarHBondContact OD1-NZ 3.34Å; D360-K447 IonicContact OD2-NZ 2.68Å; D360-K447 PolarHBondContact OD2-NZ 3.23Å
361E68.8Low66.2Low115 Ų11577.6 Ų77.654%0.53742%0.424SS..Hα-helixtrans-80.2-27.6176-71.5-171.9175.800112.9D358 A363 D364 M365D358-E361 HydrophobicContact CB-CB 4.23Å; D358-E361 HydrophobicContact CB-CG 4.1Å; D358-E361 WeakPolarHBondContact O-CA 3.49Å; D358-E361 PolarHBondContact O-N 3.38Å; E361-A363 PolarHBondContact O-N 3.43Å; E361-A363 VanDerWaalsContact O-N 3.12Å; E361-D364 PolarHBondContact O-N 2.86Å; E361-M365 WeakPolarHBondContact O-CG 3.22Å; E361-M365 PolarHBondContact O-N 2.98Å
362L68.3Low67.9Low1 Ų176.7 Ų76.71%0.00542%0.415CS..Hα-helixtrans-55.1-37.5-175.5-172.769.7000113.1I357 D358 M365 Y366 H450 T453 E454 L457I357-L362 HydrophobicContact CD1-CD1 4.47Å; I357-L362 HydrophobicContact CG2-CB 4.06Å; I357-L362 HydrophobicContact CG2-CD1 3.87Å; D358-L362 PolarHBondContact O-N 3.14Å; L362-M365 PolarHBondContact O-N 2.95Å; L362-Y366 PolarHBondContact O-N 2.77Å; L362-H450 HydrophobicContact CD2-CB 3.56Å; L362-T453 HydrophobicContact CD2-CG2 4.13Å; L362-T453 HydrophobicContact CG-CG2 3.98Å; L362-E454 HydrophobicContact CD1-CG 3.94Å; L362-E454 HydrophobicContact CD2-CG 4.18Å; L362-L457 HydrophobicContact CD1-CD1 3.73Å
363A70.6Confident70.2Confident7 Ų773.8 Ų73.86%0.05838%0.383CS..Hα-helixtrans-73.6-34.4-179.600000112.6E361 Y366 K443E361-A363 PolarHBondContact O-N 3.43Å; E361-A363 VanDerWaalsContact O-N 3.12Å; A363-Y366 PolarHBondContact O-N 3.49Å; A363-K443 HydrophobicContact CB-CB 4.29Å; A363-K443 HydrophobicContact CB-CD 4.49Å; A363-K443 HydrophobicContact CB-CG 3.41Å; A363-K443 VanDerWaalsContact CB-CG 3.41Å
364D74Confident72.4Confident96 Ų9671.8 Ų71.851%0.51336%0.364SS..Hα-helixtrans-72.9-33.6172.8-64.5-24.7000110.7E361 Y366 K443E361-D364 PolarHBondContact O-N 2.86Å; D364-Y366 VanDerWaalsContact C-N 3.3Å; D364-Y366 PolarHBondContact O-N 3.12Å; D364-K443 VanDerWaalsContact OD1-CE 3.22Å; D364-K443 WeakPolarHBondContact OD1-CE 3.25Å; D364-K443 IonicContact OD1-NZ 3.22Å; D364-K443 PolarHBondContact OD1-NZ 3.43Å; D364-K443 IonicContact OD2-NZ 2.74Å; D364-K443 PolarHBondContact OD2-NZ 3.34Å
365M73.4Confident74.6Confident58 Ų5869.4 Ų69.429%0.28636%0.36SS..Hα-helixtrans-67.2-29.9173.4-72.7-18061.300112.6I357 E361 L362 K368 E369I357-M365 HydrophobicContact CD1-CE 4.02Å; I357-M365 HydrophobicContact CG1-CE 4.46Å; I357-M365 HydrophobicContact CG2-CE 4.32Å; I357-M365 HydrophobicContact CG2-SD 3.46Å; I357-M365 WeakPolarHBondContact CG2-SD 3.35Å; E361-M365 WeakPolarHBondContact O-CG 3.22Å; E361-M365 PolarHBondContact O-N 2.98Å; L362-M365 PolarHBondContact O-N 2.95Å; M365-K368 PolarHBondContact O-N 3.46Å; M365-E369 WeakPolarHBondContact O-CB 3.41Å; M365-E369 PolarHBondContact O-N 2.91Å
366Y81.5Confident77Confident8 Ų867.5 Ų67.53%0.03134%0.339CS..Hα-helixtrans-60.3-53.1-175.7170-92.2000112.5L362 A363 D364 K368 E369 I370 Q429 Y446 T453 L456 L457L362-Y366 PolarHBondContact O-N 2.77Å; A363-Y366 PolarHBondContact O-N 3.49Å; D364-Y366 VanDerWaalsContact C-N 3.3Å; D364-Y366 PolarHBondContact O-N 3.12Å; Y366-K368 VanDerWaalsContact C-N 3.27Å; Y366-K368 PolarHBondContact O-N 3.43Å; Y366-E369 PolarHBondContact O-N 3.41Å; Y366-I370 HydrophobicContact CD2-CG1 4.18Å; Y366-I370 HydrophobicContact CE1-CG1 4.29Å; Y366-I370 HydrophobicContact CE2-CD1 4.11Å; Y366-I370 HydrophobicContact CE2-CG1 3.78Å; Y366-I370 VanDerWaalsContact O-CG1 3.27Å; Y366-I370 WeakPolarHBondContact O-CG1 3.23Å; Y366-I370 PolarHBondContact O-N 2.85Å; Y366-I370 VanDerWaalsContact O-N 3.07Å; Y366-Q429 WeakPolarHBondContact OH-CB 3.21Å; Y366-Q429 VanDerWaalsContact OH-CD 3.29Å; Y366-Q429 PolarHBondContact OH-OE1 2.96Å; Y366-Y446 HydrophobicContact CD1-CD2 4.37Å; Y366-Y446 AromaticContact CD1-CE1 3.94Å; Y366-Y446 HydrophobicContact CD1-CE1 3.94Å; Y366-Y446 AromaticContact CD1-CE2 3.78Å; Y366-Y446 HydrophobicContact CD1-CE2 3.78Å; Y366-Y446 AromaticContact CD1-CZ 3.53Å; Y366-Y446 HydrophobicContact CD2-CD1 4.42Å; Y366-Y446 HydrophobicContact CD2-CE1 4.07Å; Y366-Y446 AromaticContact CE1-CE1 3.85Å; Y366-Y446 HydrophobicContact CE1-CE1 3.85Å; Y366-Y446 AromaticContact CE1-CE2 3.98Å; Y366-Y446 HydrophobicContact CE1-CE2 3.98Å; Y366-Y446 AromaticContact CE1-CZ 3.34Å; Y366-Y446 WeakPolarHBondContact CE1-OH 3.41Å; Y366-Y446 AromaticContact CE2-CE1 3.97Å; Y366-Y446 HydrophobicContact CE2-CE1 3.97Å; Y366-Y446 HydrophobicContact CG-CD1 4.32Å; Y366-Y446 HydrophobicContact CG-CE1 4.04Å; Y366-Y446 HydrophobicContact CG-CE2 4.42Å; Y366-Y446 AromaticContact CZ-CE1 3.83Å; Y366-Y446 AromaticContact CZ-CZ 3.75Å; Y366-Y446 VanDerWaalsContact CZ-OH 3.31Å; Y366-Y446 PolarHBondContact OH-OH 3.42Å; Y366-T453 HydrophobicContact CD2-CG2 3.99Å; Y366-T453 HydrophobicContact CG-CG2 4.36Å; Y366-L456 HydrophobicContact CE2-CD1 4.14Å; Y366-L457 HydrophobicContact CD2-CD2 3.94Å; Y366-L457 HydrophobicContact CD2-CG 4.4Å; Y366-L457 HydrophobicContact CG-CD2 4.48Å
367E82Confident79Confident149 Ų14959.7 Ų59.770%0.69630%0.297SS*.Hα-helixtrans-63.5-37.4178.5-68.4-171.9175.200111.5K371E367-K371 VanDerWaalsContact O-CB 3.31Å; E367-K371 WeakPolarHBondContact O-CB 3.28Å; E367-K371 PolarHBondContact O-N 2.95Å
368K85.7Confident80.7Confident141 Ų14160.6 Ų60.661%0.61330%0.302SS*.Hα-helixtrans-63.3-49.1178-175-179.2177-176.40112M365 Y366 K371 L372M365-K368 PolarHBondContact O-N 3.46Å; Y366-K368 VanDerWaalsContact C-N 3.27Å; Y366-K368 PolarHBondContact O-N 3.43Å; K368-K371 WeakPolarHBondContact O-CB 3.48Å; K368-K371 PolarHBondContact O-N 2.7Å; K368-L372 HydrophobicContact CG-CD1 4.34Å; K368-L372 WeakPolarHBondContact O-CG 3.48Å; K368-L372 PolarHBondContact O-N 3.2Å
369E83.6Confident82.2Confident35 Ų3561.3 Ų61.316%0.16430%0.303CS..Hα-helixtrans-72.7-35.7-176-161.474.3-174.900111.8M365 Y366 K371 L372 M373 L457 K461M365-E369 WeakPolarHBondContact O-CB 3.41Å; M365-E369 PolarHBondContact O-N 2.91Å; Y366-E369 PolarHBondContact O-N 3.41Å; E369-K371 VanDerWaalsContact C-N 3.29Å; E369-K371 PolarHBondContact O-N 2.97Å; E369-L372 PolarHBondContact O-N 2.9Å; E369-M373 PolarHBondContact O-N 2.85Å; E369-L457 HydrophobicContact CB-CD2 3.4Å; E369-L457 VanDerWaalsContact CB-CD2 3.4Å; E369-L457 HydrophobicContact CG-CD2 3.9Å; E369-K461 WeakPolarHBondContact OE1-CD 3.49Å; E369-K461 IonicContact OE1-NZ 2.69Å
370I87.9Confident83.8Confident5 Ų558.7 Ų58.73%0.02629%0.287CS..Hα-helixtrans-62.7-40.5172.1-65.3-65.2000110.2Y366 M373 E374 K426 A460Y366-I370 HydrophobicContact CD2-CG1 4.18Å; Y366-I370 HydrophobicContact CE1-CG1 4.29Å; Y366-I370 HydrophobicContact CE2-CD1 4.11Å; Y366-I370 HydrophobicContact CE2-CG1 3.78Å; Y366-I370 VanDerWaalsContact O-CG1 3.27Å; Y366-I370 WeakPolarHBondContact O-CG1 3.23Å; Y366-I370 PolarHBondContact O-N 2.85Å; Y366-I370 VanDerWaalsContact O-N 3.07Å; I370-M373 HydrophobicContact CD1-CE 3.89Å; I370-M373 HydrophobicContact CG2-CE 4.16Å; I370-M373 PolarHBondContact O-N 3.44Å; I370-E374 PolarHBondContact O-N 3.25Å; I370-K426 HydrophobicContact CG2-CD 4.17Å; I370-A460 HydrophobicContact CD1-CB 3.86Å
371K90.2Very high85.1Confident124 Ų12455.5 Ų55.554%0.53927%0.272SS..Hα-helixtrans-65.1-42.9173.7-172.7-179.2176.7-1760111.9E367 K368 E369 M373 E374 D375E367-K371 VanDerWaalsContact O-CB 3.31Å; E367-K371 WeakPolarHBondContact O-CB 3.28Å; E367-K371 PolarHBondContact O-N 2.95Å; K368-K371 WeakPolarHBondContact O-CB 3.48Å; K368-K371 PolarHBondContact O-N 2.7Å; E369-K371 VanDerWaalsContact C-N 3.29Å; E369-K371 PolarHBondContact O-N 2.97Å; K371-M373 VanDerWaalsContact C-N 3.28Å; K371-M373 PolarHBondContact O-N 3.11Å; K371-E374 PolarHBondContact O-N 2.94Å; K371-E374 VanDerWaalsContact O-N 3.12Å; K371-D375 WeakPolarHBondContact O-CB 3.49Å; K371-D375 VanDerWaalsContact O-CG 3.3Å; K371-D375 PolarHBondContact O-N 3.42Å
372L89.9Confident86.2Confident83 Ų8354 Ų5444%0.43527%0.273SS..Hα-helixtrans-60-37.8175-72.8172.9000112.2K368 E369 A376K368-L372 HydrophobicContact CG-CD1 4.34Å; K368-L372 WeakPolarHBondContact O-CG 3.48Å; K368-L372 PolarHBondContact O-N 3.2Å; E369-L372 PolarHBondContact O-N 2.9Å; L372-A376 WeakPolarHBondContact O-CB 3.45Å; L372-A376 PolarHBondContact O-N 3.02Å
373M92Very high87.5Confident8 Ų857.6 Ų57.64%0.03929%0.289CS..Hα-helixtrans-63.8-46.7172.1172.8-170.553.400111.5E369 I370 K371 A376 I377 V422 A460 V463 L501E369-M373 PolarHBondContact O-N 2.85Å; I370-M373 HydrophobicContact CD1-CE 3.89Å; I370-M373 HydrophobicContact CG2-CE 4.16Å; I370-M373 PolarHBondContact O-N 3.44Å; K371-M373 VanDerWaalsContact C-N 3.28Å; K371-M373 PolarHBondContact O-N 3.11Å; M373-A376 PolarHBondContact O-N 2.7Å; M373-I377 HydrophobicContact CG-CD1 3.94Å; M373-I377 WeakPolarHBondContact O-CD1 3.34Å; M373-I377 VanDerWaalsContact O-CG1 3.32Å; M373-I377 WeakPolarHBondContact O-CG1 3.44Å; M373-I377 PolarHBondContact O-N 3.25Å; M373-V422 HydrophobicContact CE-CB 4.4Å; M373-V422 HydrophobicContact CE-CG1 3.4Å; M373-V422 VanDerWaalsContact CE-CG1 3.4Å; M373-V422 HydrophobicContact CE-CG2 4.16Å; M373-V422 HydrophobicContact SD-CG1 4.18Å; M373-V422 HydrophobicContact SD-CG2 3.87Å; M373-A460 HydrophobicContact CB-CB 4.3Å; M373-A460 HydrophobicContact CE-CB 3.88Å; M373-A460 HydrophobicContact CG-CB 4.45Å; M373-A460 WeakPolarHBondContact CG-O 3.13Å; M373-A460 WeakPolarHBondContact SD-CA 3.29Å; M373-A460 HydrophobicContact SD-CB 3.58Å; M373-A460 VanDerWaalsContact SD-CB 3.58Å; M373-V463 HydrophobicContact CG-CB 4.48Å; M373-V463 HydrophobicContact CG-CG1 4.45Å; M373-V463 HydrophobicContact SD-CB 4.08Å; M373-V463 HydrophobicContact SD-CG1 4.23Å; M373-L501 HydrophobicContact SD-CD2 4.34Å
374E91.7Very high88.5Confident49 Ų4957.3 Ų57.323%0.22929%0.286CS..Hα-helixtrans-59.7-46.8176.8-73.4176.7147.100111.3I370 K371 I377 L378 V422 K426I370-E374 PolarHBondContact O-N 3.25Å; K371-E374 PolarHBondContact O-N 2.94Å; K371-E374 VanDerWaalsContact O-N 3.12Å; E374-I377 PolarHBondContact O-N 3.32Å; E374-L378 WeakPolarHBondContact O-CG 3.46Å; E374-L378 PolarHBondContact O-N 3.06Å; E374-V422 HydrophobicContact CG-CG1 3.85Å; E374-K426 VanDerWaalsContact CD-NZ 3.28Å; E374-K426 VanDerWaalsContact OE1-CD 3.26Å; E374-K426 WeakPolarHBondContact OE1-CD 3.41Å; E374-K426 IonicContact OE1-NZ 2.84Å; E374-K426 PolarHBondContact OE1-NZ 3.02Å; E374-K426 IonicContact OE2-NZ 3.1Å; E374-K426 PolarHBondContact OE2-NZ 3.49Å
375D92.2Very high89.3Confident73 Ų7357.2 Ų57.239%0.3928%0.283SS..Hα-helixtrans-63.4-42.7178.6-69-19.5000111.2K371 I377 L378 E379K371-D375 WeakPolarHBondContact O-CB 3.49Å; K371-D375 VanDerWaalsContact O-CG 3.3Å; K371-D375 PolarHBondContact O-N 3.42Å; D375-I377 VanDerWaalsContact C-N 3.35Å; D375-I377 PolarHBondContact O-N 3.5Å; D375-L378 PolarHBondContact O-N 2.78Å; D375-E379 WeakPolarHBondContact O-CB 3.22Å; D375-E379 PolarHBondContact O-N 3.45Å
376A91.9Very high90.3Very high16 Ų1657.3 Ų57.313%0.13229%0.293CS..Hα-helixtrans-63.6-37.1176.600000112.7L372 M373 A380L372-A376 WeakPolarHBondContact O-CB 3.45Å; L372-A376 PolarHBondContact O-N 3.02Å; M373-A376 PolarHBondContact O-N 2.7Å; A376-A380 VanDerWaalsContact O-CB 3.24Å; A376-A380 WeakPolarHBondContact O-CB 3.44Å; A376-A380 PolarHBondContact O-N 2.97Å
377I92.4Very high90.8Very high2 Ų257.4 Ų57.41%0.0129%0.294CS..Hα-helixtrans-69.7-41.1176.1-69.1162.1000110.9M373 E374 D375 A380 A381 I414 V418 M419 V422 V463 A467M373-I377 HydrophobicContact CG-CD1 3.94Å; M373-I377 WeakPolarHBondContact O-CD1 3.34Å; M373-I377 VanDerWaalsContact O-CG1 3.32Å; M373-I377 WeakPolarHBondContact O-CG1 3.44Å; M373-I377 PolarHBondContact O-N 3.25Å; E374-I377 PolarHBondContact O-N 3.32Å; D375-I377 VanDerWaalsContact C-N 3.35Å; D375-I377 PolarHBondContact O-N 3.5Å; I377-A380 PolarHBondContact O-N 3.36Å; I377-A381 PolarHBondContact O-N 2.99Å; I377-I414 HydrophobicContact CG2-CG2 3.8Å; I377-V418 HydrophobicContact CD1-CG1 3.77Å; I377-V418 HydrophobicContact CG1-CG1 4.18Å; I377-V418 HydrophobicContact CG2-CG1 4.31Å; I377-M419 HydrophobicContact CG2-CG 3.39Å; I377-M419 HydrophobicContact CG2-SD 4.47Å; I377-V422 HydrophobicContact CD1-CB 4.34Å; I377-V422 HydrophobicContact CD1-CG2 3.61Å; I377-V463 HydrophobicContact CD1-CG1 3.96Å; I377-A467 HydrophobicContact CG1-CB 4.26Å
378L92.4Very high91.2Very high88 Ų8851 Ų5146%0.46127%0.265SS..Hα-helixtrans-64.3-43.7175.8-76.9171000111.7E374 D375 A380 A381 S382 M419E374-L378 WeakPolarHBondContact O-CG 3.46Å; E374-L378 PolarHBondContact O-N 3.06Å; D375-L378 PolarHBondContact O-N 2.78Å; L378-A380 VanDerWaalsContact C-N 3.33Å; L378-A381 PolarHBondContact O-N 3.19Å; L378-S382 PolarHBondContact O-N 3.27Å; L378-M419 HydrophobicContact CD2-CE 3.32Å; L378-M419 HydrophobicContact CD2-SD 3.92Å; L378-M419 HydrophobicContact CG-CE 4.13Å
379E92.2Very high91.4Very high99 Ų9946.6 Ų46.646%0.46325%0.254SS..Hα-helixtrans-61.8-43.3174.7-170.3-174161.900110.8D375 A381 S382 K383D375-E379 WeakPolarHBondContact O-CB 3.22Å; D375-E379 PolarHBondContact O-N 3.45Å; E379-A381 PolarHBondContact O-N 2.86Å; E379-S382 PolarHBondContact O-N 3.5Å; E379-K383 HydrophobicContact CG-CD 4.21Å; E379-K383 WeakPolarHBondContact O-CB 3.26Å; E379-K383 WeakPolarHBondContact O-CG 3.36Å; E379-K383 PolarHBondContact O-N 3.38Å; E379-K383 WeakPolarHBondContact OE1-CE 3.3Å; E379-K383 IonicContact OE1-NZ 3.71Å; E379-K383 PolarHBondContact OE1-NZ 2.6Å
380A93.5Very high91.8Very high0 Ų049.1 Ų49.10%027%0.265CS..Hα-helixtrans-60-44.5175.900000112A376 I377 L378 K383 I384 I414 A467 V471A376-A380 VanDerWaalsContact O-CB 3.24Å; A376-A380 WeakPolarHBondContact O-CB 3.44Å; A376-A380 PolarHBondContact O-N 2.97Å; I377-A380 PolarHBondContact O-N 3.36Å; L378-A380 VanDerWaalsContact C-N 3.33Å; A380-K383 PolarHBondContact O-N 2.98Å; A380-I384 WeakPolarHBondContact O-CG1 3.48Å; A380-I384 PolarHBondContact O-N 2.77Å; A380-I414 HydrophobicContact CB-CD1 3.94Å; A380-I414 HydrophobicContact CB-CG2 4.43Å; A380-A467 HydrophobicContact CB-CB 3.95Å; A380-V471 HydrophobicContact CB-CG2 3.61Å; A380-V471 WeakPolarHBondContact O-CG2 3.38Å
381A92Very high91.8Very high9 Ų948.9 Ų48.97%0.07426%0.264CS..Hα-helixtrans-60.5-46.3175.200000111.8I377 L378 E379 K383 I384 E385 I414 Q415I377-A381 PolarHBondContact O-N 2.99Å; L378-A381 PolarHBondContact O-N 3.19Å; E379-A381 PolarHBondContact O-N 2.86Å; A381-K383 VanDerWaalsContact C-N 3.3Å; A381-K383 PolarHBondContact O-N 3.38Å; A381-I384 PolarHBondContact O-N 3.16Å; A381-E385 PolarHBondContact O-N 3.27Å; A381-I414 HydrophobicContact CB-CG2 4.08Å; A381-Q415 HydrophobicContact CB-CB 4.33Å
382S93.4Very high91.9Very high82 Ų8250.6 Ų50.657%0.57327%0.267SS*.Hα-helixtrans-63.1-35177.1-174.30000112.9L378 E379 A386L378-S382 PolarHBondContact O-N 3.27Å; E379-S382 PolarHBondContact O-N 3.5Å; S382-A386 PolarHBondContact O-N 3.24Å; S382-A386 VanDerWaalsContact O-N 3.13Å
383K94.6Very high91.8Very high78 Ų7855.6 Ų55.634%0.33929%0.285SS..Hα-helixtrans-70.1-36.8177.1-75.9172.4170.4169.80111.9E379 A380 A381 E385 A386 I387 V471E379-K383 HydrophobicContact CG-CD 4.21Å; E379-K383 WeakPolarHBondContact O-CB 3.26Å; E379-K383 WeakPolarHBondContact O-CG 3.36Å; E379-K383 PolarHBondContact O-N 3.38Å; E379-K383 WeakPolarHBondContact OE1-CE 3.3Å; E379-K383 IonicContact OE1-NZ 3.71Å; E379-K383 PolarHBondContact OE1-NZ 2.6Å; A380-K383 PolarHBondContact O-N 2.98Å; A381-K383 VanDerWaalsContact C-N 3.3Å; A381-K383 PolarHBondContact O-N 3.38Å; K383-E385 VanDerWaalsContact C-N 3.33Å; K383-E385 PolarHBondContact O-N 3.47Å; K383-A386 WeakPolarHBondContact O-CB 3.4Å; K383-A386 PolarHBondContact O-N 3.11Å; K383-I387 WeakPolarHBondContact O-CD1 3.42Å; K383-I387 WeakPolarHBondContact O-CG1 3.44Å; K383-I387 PolarHBondContact O-N 3.1Å; K383-V471 HydrophobicContact CB-CG1 3.47Å; K383-V471 VanDerWaalsContact CB-CG1 3.47Å; K383-V471 HydrophobicContact CD-CG1 4.01Å; K383-V471 HydrophobicContact CG-CG1 4.36Å
384I92.6Very high91.6Very high0 Ų058.5 Ų58.50%031%0.306CS..Hα-helixtrans-62.2-42.1174.4-66.1173.9000111A380 A381 A386 I387 L388 L407 C410 T411 I414 V471A380-I384 WeakPolarHBondContact O-CG1 3.48Å; A380-I384 PolarHBondContact O-N 2.77Å; A381-I384 PolarHBondContact O-N 3.16Å; I384-A386 VanDerWaalsContact C-N 3.32Å; I384-A386 PolarHBondContact O-N 3.31Å; I384-I387 CarbonylContact O-C 3.59Å; I384-I387 WeakPolarHBondContact O-CB 3.24Å; I384-I387 PolarHBondContact O-N 3.45Å; I384-I387 VanDerWaalsContact O-N 3.13Å; I384-L388 PolarHBondContact O-N 3.4Å; I384-L407 HydrophobicContact CG2-CD2 4.28Å; I384-C410 HydrophobicContact CD1-CB 4.04Å; I384-T411 WeakPolarHBondContact CG2-OG1 3.43Å; I384-I414 HydrophobicContact CD1-CD1 3.42Å; I384-I414 VanDerWaalsContact CD1-CD1 3.42Å; I384-I414 HydrophobicContact CD1-CG1 4.02Å; I384-V471 HydrophobicContact CD1-CG2 4.16Å; I384-V471 HydrophobicContact CG1-CG2 3.83Å
385E90.9Very high91.2Very high94 Ų9456.5 Ų56.544%0.43930%0.297SS..Hα-helixtrans-62.3-38.8174.7-69.6-64.2164.100112.3A381 K383 I387 L388 A389 T411A381-E385 PolarHBondContact O-N 3.27Å; K383-E385 VanDerWaalsContact C-N 3.33Å; K383-E385 PolarHBondContact O-N 3.47Å; E385-I387 VanDerWaalsContact C-N 3.35Å; E385-L388 WeakPolarHBondContact O-CB 3.49Å; E385-L388 PolarHBondContact O-N 3.45Å; E385-A389 PolarHBondContact O-N 3.31Å; E385-T411 WeakPolarHBondContact OE1-CG2 3.39Å
386A93.1Very high90.8Very high61 Ų6158.4 Ų58.450%0.50431%0.312SS..Hα-helixtrans-65.3-38173.100000112.2S382 K383 I384 A389 K390S382-A386 PolarHBondContact O-N 3.24Å; S382-A386 VanDerWaalsContact O-N 3.13Å; K383-A386 WeakPolarHBondContact O-CB 3.4Å; K383-A386 PolarHBondContact O-N 3.11Å; I384-A386 VanDerWaalsContact C-N 3.32Å; I384-A386 PolarHBondContact O-N 3.31Å; A386-A389 PolarHBondContact O-N 2.94Å; A386-K390 WeakPolarHBondContact O-CB 3.06Å; A386-K390 PolarHBondContact O-N 3.08Å
387I92.3Very high90.5Very high9 Ų960.1 Ų60.15%0.04633%0.331CS..Hα-helixtrans-65.9-39.7175.1-66.7160.4000110.6K383 I384 E385 K390 A391 L407 V471 A474 D475 V478K383-I387 WeakPolarHBondContact O-CD1 3.42Å; K383-I387 WeakPolarHBondContact O-CG1 3.44Å; K383-I387 PolarHBondContact O-N 3.1Å; I384-I387 CarbonylContact O-C 3.59Å; I384-I387 WeakPolarHBondContact O-CB 3.24Å; I384-I387 PolarHBondContact O-N 3.45Å; I384-I387 VanDerWaalsContact O-N 3.13Å; E385-I387 VanDerWaalsContact C-N 3.35Å; I387-K390 WeakPolarHBondContact O-CB 3.22Å; I387-K390 PolarHBondContact O-N 3.27Å; I387-A391 WeakPolarHBondContact O-CB 3.39Å; I387-A391 PolarHBondContact O-N 2.98Å; I387-L407 HydrophobicContact CG2-CD1 4.01Å; I387-L407 HydrophobicContact CG2-CD2 3.78Å; I387-V471 HydrophobicContact CD1-CG1 3.74Å; I387-A474 HydrophobicContact CD1-CB 4.49Å; I387-D475 HydrophobicContact CD1-CB 3.72Å; I387-D475 HydrophobicContact CG1-CB 4.03Å; I387-V478 HydrophobicContact CG2-CB 3.99Å; I387-V478 HydrophobicContact CG2-CG1 4.12Å; I387-V478 HydrophobicContact CG2-CG2 3.68Å
388L90.2Very high90.2Very high16 Ų1662.6 Ų62.68%0.08435%0.346CS..Hα-helixtrans-58.3-48172.3-84.2165.8000111.6I384 E385 K390 A391 R392 L407I384-L388 PolarHBondContact O-N 3.4Å; E385-L388 WeakPolarHBondContact O-CB 3.49Å; E385-L388 PolarHBondContact O-N 3.45Å; L388-K390 VanDerWaalsContact C-N 3.28Å; L388-K390 PolarHBondContact O-N 3.29Å; L388-A391 WeakPolarHBondContact O-CB 3.3Å; L388-A391 PolarHBondContact O-N 3.06Å; L388-R392 PolarHBondContact O-N 3.06Å; L388-R392 VanDerWaalsContact O-N 3.13Å; L388-L407 HydrophobicContact CB-CD1 4.47Å; L388-L407 HydrophobicContact CD1-CB 4.29Å; L388-L407 HydrophobicContact CD2-CB 3.37Å; L388-L407 HydrophobicContact CD2-CD1 3.57Å; L388-L407 HydrophobicContact CD2-CG 4.13Å; L388-L407 HydrophobicContact CG-CB 3.67Å; L388-L407 HydrophobicContact CG-CD1 3.82Å; L388-L407 HydrophobicContact CG-CG 4.33Å
389A91.2Very high89.8Confident48 Ų4862.6 Ų62.640%0.39734%0.339SS..Hα-helixtrans-63.7-34.1177.300000112.8E385 A386E385-A389 PolarHBondContact O-N 3.31Å; A386-A389 PolarHBondContact O-N 2.94Å
390K90.6Very high89.7Confident88 Ų8859.6 Ų59.638%0.38333%0.327SS..Hα-helixtrans-69.4-44.1173.5-177.4-179.4173.7-171.80111.4A386 I387 L388 R392 K393 S394 D475 C479A386-K390 WeakPolarHBondContact O-CB 3.06Å; A386-K390 PolarHBondContact O-N 3.08Å; I387-K390 WeakPolarHBondContact O-CB 3.22Å; I387-K390 PolarHBondContact O-N 3.27Å; L388-K390 VanDerWaalsContact C-N 3.28Å; L388-K390 PolarHBondContact O-N 3.29Å; K390-R392 VanDerWaalsContact C-N 3.31Å; K390-R392 PolarHBondContact O-N 3.3Å; K390-K393 PolarHBondContact O-N 2.82Å; K390-S394 PolarHBondContact O-N 2.89Å; K390-S394 PolarHBondContact O-OG 2.92Å; K390-D475 IonicContact NZ-OD1 2.75Å; K390-D475 PolarHBondContact NZ-OD1 3.25Å; K390-D475 IonicContact NZ-OD2 3.51Å; K390-C479 WeakPolarHBondContact CE-SG 3.31Å; K390-C479 PolarHBondContact NZ-SG 3.06Å
391A89.5Confident89.5Confident0 Ų065.1 Ų65.10%035%0.352CS..Hα-helixtrans-57.5-43178.800000111.9I387 L388 K393 S394 N395 L400 L407 V478I387-A391 WeakPolarHBondContact O-CB 3.39Å; I387-A391 PolarHBondContact O-N 2.98Å; L388-A391 WeakPolarHBondContact O-CB 3.3Å; L388-A391 PolarHBondContact O-N 3.06Å; A391-K393 PolarHBondContact O-N 3.08Å; A391-S394 PolarHBondContact O-N 3.43Å; A391-S394 PolarHBondContact O-OG 3.16Å; A391-N395 WeakPolarHBondContact O-CB 3.38Å; A391-N395 PolarHBondContact O-N 2.95Å; A391-L400 HydrophobicContact CB-CD1 4.48Å; A391-L407 HydrophobicContact CB-CD1 4.15Å; A391-V478 HydrophobicContact CB-CG1 3.63Å
392R90.7Very high89.4Confident159 Ų15965.1 Ų65.160%0.635%0.352SS*.Hα-helixtrans-60.5-23.4176-73176.4176.6159.54.5114.4L388 K390 L400 E404L388-R392 PolarHBondContact O-N 3.06Å; L388-R392 VanDerWaalsContact O-N 3.13Å; K390-R392 VanDerWaalsContact C-N 3.31Å; K390-R392 PolarHBondContact O-N 3.3Å; R392-L400 HydrophobicContact CG-CD1 4.28Å; R392-E404 WeakPolarHBondContact CG-OE1 3.43Å; R392-E404 IonicContact CZ-OE1 2.6Å; R392-E404 IonicContact NE-OE1 2.95Å; R392-E404 PolarHBondContact NE-OE1 3.17Å; R392-E404 IonicContact NH2-OE1 3.05Å; R392-E404 PolarHBondContact NH2-OE1 3.02Å
393K89.3Confident89.3Confident188 Ų18861.6 Ų61.682%0.81733%0.326SS*.Hα-helixtrans-93.4-31.9177.9-64.1176-177.4177.80112.5K390 A391K390-K393 PolarHBondContact O-N 2.82Å; A391-K393 PolarHBondContact O-N 3.08Å
394S86.2Confident89.2Confident70 Ų7060.8 Ų60.849%0.4932%0.323SS..Hα-helixtrans-96.2-27.9-172.461.50000114.5K390 A391K390-S394 PolarHBondContact O-N 2.89Å; K390-S394 PolarHBondContact O-OG 2.92Å; A391-S394 PolarHBondContact O-N 3.43Å; A391-S394 PolarHBondContact O-OG 3.16Å
395N84.2Confident89.2Confident7 Ų766.9 Ų66.94%0.03735%0.35CS..  trans-114.8147.6-174.3-64.9-60.1000111A391 R399 L400 H403 V478A391-N395 WeakPolarHBondContact O-CB 3.38Å; A391-N395 PolarHBondContact O-N 2.95Å; N395-R399 HydrophobicContact CB-CG 4.38Å; N395-R399 WeakPolarHBondContact OD1-CD 3.48Å; N395-L400 HydrophobicContact CB-CB 4.22Å; N395-L400 HydrophobicContact CB-CD1 4.35Å; N395-H403 PolarHBondContact ND2-CD2 2.79Å; N395-H403 VanDerWaalsContact ND2-CD2 3.33Å; N395-V478 PolarHBondContact ND2-O 2.94Å
396T83.9Confident89.2Confident113 Ų11362.5 Ų62.569%0.69333%0.329SS*.  trans-136158.4-179.756.10000110.6
397G85.7Confident89.2Confident52 Ų5259.7 Ų59.754%0.53631%0.306SS..THydrogen-bonded Turntrans67.2-149.2176.100000113.5R399 L400 E401G397-R399 PolarHBondContact O-N 3.19Å; G397-R399 VanDerWaalsContact O-N 3.16Å; G397-L400 WeakPolarHBondContact O-CB 3.39Å; G397-L400 PolarHBondContact O-N 3.37Å; G397-E401 PolarHBondContact O-N 3.05Å
398V85.2Confident89.3Confident53 Ų5365.8 Ų65.832%0.32133%0.334SS..Hα-helixtrans-53.9-37.4-178.6179.80000111.7L400 E401 V402V398-L400 VanDerWaalsContact C-N 3.33Å; V398-L400 PolarHBondContact O-N 2.99Å; V398-E401 PolarHBondContact O-N 3.38Å; V398-V402 HydrophobicContact CG1-CG2 4.24Å; V398-V402 WeakPolarHBondContact O-CG2 3.48Å; V398-V402 PolarHBondContact O-N 3.49Å
399R85.5Confident89.4Confident88 Ų8866.4 Ų66.433%0.33234%0.34SS..Hα-helixtrans-59.6-40.1177.6-173.9176.9-60.4123.85.1113N395 G397 H403 Q480 L544N395-R399 HydrophobicContact CB-CG 4.38Å; N395-R399 WeakPolarHBondContact OD1-CD 3.48Å; G397-R399 PolarHBondContact O-N 3.19Å; G397-R399 VanDerWaalsContact O-N 3.16Å; R399-H403 VanDerWaalsContact CG-NE2 3.3Å; R399-H403 WeakPolarHBondContact CG-NE2 3.35Å; R399-H403 WeakPolarHBondContact O-CB 3.34Å; R399-H403 PolarHBondContact O-CD2 2.77Å; R399-H403 VanDerWaalsContact O-CG 3.27Å; R399-H403 PolarHBondContact O-N 3.02Å; R399-Q480 VanDerWaalsContact CD-NE2 3.33Å; R399-L544 HydrophobicContact CB-CD2 3.96Å; R399-L544 HydrophobicContact CG-CD2 4.06Å
400L89.4Confident89.6Confident37 Ų3764.1 Ų64.119%0.19432%0.321CS..Hα-helixtrans-66.2-45.7176.5177.560.7000110.8A391 R392 N395 G397 V398 V402 H403 E404A391-L400 HydrophobicContact CB-CD1 4.48Å; R392-L400 HydrophobicContact CG-CD1 4.28Å; N395-L400 HydrophobicContact CB-CB 4.22Å; N395-L400 HydrophobicContact CB-CD1 4.35Å; G397-L400 WeakPolarHBondContact O-CB 3.39Å; G397-L400 PolarHBondContact O-N 3.37Å; V398-L400 VanDerWaalsContact C-N 3.33Å; V398-L400 PolarHBondContact O-N 2.99Å; L400-V402 VanDerWaalsContact C-N 3.3Å; L400-V402 PolarHBondContact O-N 3.47Å; L400-H403 PolarHBondContact O-N 3.23Å; L400-E404 HydrophobicContact CD1-CG 4.04Å; L400-E404 HydrophobicContact CG-CG 4.39Å; L400-E404 WeakPolarHBondContact O-CG 3.5Å; L400-E404 PolarHBondContact O-N 3Å
401E88.4Confident89.7Confident115 Ų11560.6 Ų60.654%0.53731%0.307SS..Hα-helixtrans-59.8-41.6179.1-62.5-177-174.900112G397 V398 K405G397-E401 PolarHBondContact O-N 3.05Å; V398-E401 PolarHBondContact O-N 3.38Å; E401-K405 WeakPolarHBondContact O-CG 3.49Å; E401-K405 PolarHBondContact O-N 3.38Å; E401-K405 VanDerWaalsContact O-N 3.15Å
402V90.3Very high89.8Confident10 Ų1063 Ų636%0.06132%0.324CS..Hα-helixtrans-62.9-48.3175.1168.60000110.9V398 L400 E404 K405 I406 L544V398-V402 HydrophobicContact CG1-CG2 4.24Å; V398-V402 WeakPolarHBondContact O-CG2 3.48Å; V398-V402 PolarHBondContact O-N 3.49Å; L400-V402 VanDerWaalsContact C-N 3.3Å; L400-V402 PolarHBondContact O-N 3.47Å; V402-E404 PolarHBondContact O-N 3.34Å; V402-K405 PolarHBondContact O-N 3.14Å; V402-I406 HydrophobicContact CG1-CD1 3.73Å; V402-I406 VanDerWaalsContact O-CG1 3.31Å; V402-I406 WeakPolarHBondContact O-CG1 3.38Å; V402-I406 PolarHBondContact O-N 3.03Å; V402-I406 VanDerWaalsContact O-N 3.08Å; V402-L544 HydrophobicContact CG1-CD1 4.18Å; V402-L544 HydrophobicContact CG1-CG 4.49Å
403H91.2Very high90Very high8 Ų855.4 Ų55.44%0.03730%0.295CS..Hα-helixtrans-64.5-39.4179.5-70-41.3000112.8N395 R399 L400 I406 L407N395-H403 PolarHBondContact ND2-CD2 2.79Å; N395-H403 VanDerWaalsContact ND2-CD2 3.33Å; R399-H403 VanDerWaalsContact CG-NE2 3.3Å; R399-H403 WeakPolarHBondContact CG-NE2 3.35Å; R399-H403 WeakPolarHBondContact O-CB 3.34Å; R399-H403 PolarHBondContact O-CD2 2.77Å; R399-H403 VanDerWaalsContact O-CG 3.27Å; R399-H403 PolarHBondContact O-N 3.02Å; L400-H403 PolarHBondContact O-N 3.23Å; H403-I406 PolarHBondContact O-N 3.38Å; H403-L407 WeakPolarHBondContact O-CB 3.35Å; H403-L407 WeakPolarHBondContact O-CD1 3.48Å; H403-L407 WeakPolarHBondContact O-CG 3.44Å; H403-L407 PolarHBondContact O-N 3.38Å
404E92.2Very high90.1Very high60 Ų6046.5 Ų46.528%0.2826%0.256SS..Hα-helixtrans-62-45.2176.3-74.3-166.114300111.7R392 L400 V402 I406 L407 E408R392-E404 WeakPolarHBondContact CG-OE1 3.43Å; R392-E404 IonicContact CZ-OE1 2.6Å; R392-E404 IonicContact NE-OE1 2.95Å; R392-E404 PolarHBondContact NE-OE1 3.17Å; R392-E404 IonicContact NH2-OE1 3.05Å; R392-E404 PolarHBondContact NH2-OE1 3.02Å; L400-E404 HydrophobicContact CD1-CG 4.04Å; L400-E404 HydrophobicContact CG-CG 4.39Å; L400-E404 WeakPolarHBondContact O-CG 3.5Å; L400-E404 PolarHBondContact O-N 3Å; V402-E404 PolarHBondContact O-N 3.34Å; E404-I406 PolarHBondContact O-N 3.04Å; E404-L407 PolarHBondContact O-N 2.96Å; E404-E408 VanDerWaalsContact O-CB 3.31Å; E404-E408 WeakPolarHBondContact O-CB 3.43Å; E404-E408 PolarHBondContact O-N 2.95Å
405K92.4Very high90.2Very high128 Ų12847.8 Ų47.856%0.55725%0.254SS*.Hα-helixtrans-62.1-42.4177.1-73.8175.7-178.7171.10113E401 V402 S409E401-K405 WeakPolarHBondContact O-CG 3.49Å; E401-K405 PolarHBondContact O-N 3.38Å; E401-K405 VanDerWaalsContact O-N 3.15Å; V402-K405 PolarHBondContact O-N 3.14Å; K405-S409 PolarHBondContact O-N 3.4Å; K405-S409 VanDerWaalsContact O-N 3.11Å; K405-S409 PolarHBondContact O-OG 3.45Å
406I92.7Very high90.4Very high2 Ų249.6 Ų49.61%0.0127%0.266CS..Hα-helixtrans-64.1-47178.2-70.9169.7000110.3V402 H403 E404 S409 C410 L484 L487 V537V402-I406 HydrophobicContact CG1-CD1 3.73Å; V402-I406 VanDerWaalsContact O-CG1 3.31Å; V402-I406 WeakPolarHBondContact O-CG1 3.38Å; V402-I406 PolarHBondContact O-N 3.03Å; V402-I406 VanDerWaalsContact O-N 3.08Å; H403-I406 PolarHBondContact O-N 3.38Å; E404-I406 PolarHBondContact O-N 3.04Å; I406-S409 WeakPolarHBondContact O-CB 3.45Å; I406-S409 PolarHBondContact O-N 2.87Å; I406-C410 PolarHBondContact O-N 2.9Å; I406-C410 PolarHBondContact O-SG 3.21Å; I406-L484 HydrophobicContact CD1-CD2 4.33Å; I406-L487 HydrophobicContact CG2-CD2 3.39Å; I406-V537 HydrophobicContact CD1-CG2 4.17Å; I406-V537 HydrophobicContact CG1-CG2 4.13Å; I406-V537 HydrophobicContact CG2-CG2 4.08Å
407L92.9Very high90.7Very high2 Ų245.4 Ų45.41%0.0124%0.238CC..Hα-helixtrans-70.5-34.2-178.6-69.4168.8000112.4I384 I387 L388 A391 H403 E404 S409 C410 T411 A474 V478I384-L407 HydrophobicContact CG2-CD2 4.28Å; I387-L407 HydrophobicContact CG2-CD1 4.01Å; I387-L407 HydrophobicContact CG2-CD2 3.78Å; L388-L407 HydrophobicContact CB-CD1 4.47Å; L388-L407 HydrophobicContact CD1-CB 4.29Å; L388-L407 HydrophobicContact CD2-CB 3.37Å; L388-L407 HydrophobicContact CD2-CD1 3.57Å; L388-L407 HydrophobicContact CD2-CG 4.13Å; L388-L407 HydrophobicContact CG-CB 3.67Å; L388-L407 HydrophobicContact CG-CD1 3.82Å; L388-L407 HydrophobicContact CG-CG 4.33Å; A391-L407 HydrophobicContact CB-CD1 4.15Å; H403-L407 WeakPolarHBondContact O-CB 3.35Å; H403-L407 WeakPolarHBondContact O-CD1 3.48Å; H403-L407 WeakPolarHBondContact O-CG 3.44Å; H403-L407 PolarHBondContact O-N 3.38Å; E404-L407 PolarHBondContact O-N 2.96Å; L407-S409 VanDerWaalsContact C-N 3.32Å; L407-C410 PolarHBondContact O-N 3.44Å; L407-T411 WeakPolarHBondContact O-CB 3.46Å; L407-T411 PolarHBondContact O-N 3.21Å; L407-T411 PolarHBondContact O-OG1 3.33Å; L407-A474 HydrophobicContact CD2-CB 4Å; L407-V478 HydrophobicContact CD1-CG2 3.82Å; L407-V478 HydrophobicContact CD2-CG2 4.22Å; L407-V478 HydrophobicContact CG-CG2 4.3Å
408E92.7Very high91.1Very high138 Ų13843 Ų4365%0.64521%0.213SC*.Hα-helixtrans-61.5-42.8171.4-176.3178.1-167.600110.9E404 C410 T411 S412E404-E408 VanDerWaalsContact O-CB 3.31Å; E404-E408 WeakPolarHBondContact O-CB 3.43Å; E404-E408 PolarHBondContact O-N 2.95Å; E408-C410 PolarHBondContact O-N 3.11Å; E408-T411 PolarHBondContact O-N 2.95Å; E408-S412 PolarHBondContact O-N 2.91Å
409S93.6Very high91.5Very high28 Ų2843.4 Ų43.420%0.19621%0.213CC..Hα-helixtrans-63.2-41.1175.2-57.90000111.9K405 I406 L407 L413K405-S409 PolarHBondContact O-N 3.4Å; K405-S409 VanDerWaalsContact O-N 3.11Å; K405-S409 PolarHBondContact O-OG 3.45Å; I406-S409 WeakPolarHBondContact O-CB 3.45Å; I406-S409 PolarHBondContact O-N 2.87Å; L407-S409 VanDerWaalsContact C-N 3.32Å; S409-L413 WeakPolarHBondContact O-CB 3.03Å; S409-L413 PolarHBondContact O-N 3.36Å
410C94.6Very high91.8Very high0 Ų045.5 Ų45.50%022%0.22CC..Hα-helixtrans-66-39175.1-65.20000112.3I384 I406 L407 E408 L413 I414 L470I384-C410 HydrophobicContact CD1-CB 4.04Å; I406-C410 PolarHBondContact O-N 2.9Å; I406-C410 PolarHBondContact O-SG 3.21Å; L407-C410 PolarHBondContact O-N 3.44Å; E408-C410 PolarHBondContact O-N 3.11Å; C410-L413 PolarHBondContact O-N 2.86Å; C410-I414 PolarHBondContact O-N 3.36Å; C410-L470 HydrophobicContact CB-CD2 4.36Å
411T92.6Very high92.1Very high15 Ų1543.7 Ų43.79%0.09221%0.211CC..Hα-helixtrans-63.2-47.3176.9-56.10000110.5I384 E385 L407 E408 L413 I414 Q415I384-T411 WeakPolarHBondContact CG2-OG1 3.43Å; E385-T411 WeakPolarHBondContact OE1-CG2 3.39Å; L407-T411 WeakPolarHBondContact O-CB 3.46Å; L407-T411 PolarHBondContact O-N 3.21Å; L407-T411 PolarHBondContact O-OG1 3.33Å; E408-T411 PolarHBondContact O-N 2.95Å; T411-L413 VanDerWaalsContact C-N 3.34Å; T411-L413 PolarHBondContact O-N 2.84Å; T411-I414 PolarHBondContact O-N 3.05Å; T411-Q415 HydrophobicContact CG2-CB 4.43Å; T411-Q415 VanDerWaalsContact O-CB 3.22Å; T411-Q415 WeakPolarHBondContact O-CB 3.45Å; T411-Q415 PolarHBondContact O-N 3.35Å
412S92.8Very high92.3Very high50 Ų5038.4 Ų38.435%0.3519%0.187SC..Iπ-helixtrans-57.9-45.3174.8-174.50000111.8E408 V416 E417E408-S412 PolarHBondContact O-N 2.91Å; S412-V416 WeakPolarHBondContact O-CA 3.18Å; S412-V416 WeakPolarHBondContact O-CB 3.36Å; S412-V416 PolarHBondContact O-N 3.48Å; S412-V416 VanDerWaalsContact O-N 3.1Å; S412-E417 PolarHBondContact O-N 2.93Å
413L94Very high92.4Very high0 Ų039.9 Ų39.90%020%0.2CC..Iπ-helixtrans-58.5-52.1177.2174.460.3000112.4S409 C410 T411 E417 V418 L470 I494 V526 C529 V530 V533S409-L413 WeakPolarHBondContact O-CB 3.03Å; S409-L413 PolarHBondContact O-N 3.36Å; C410-L413 PolarHBondContact O-N 2.86Å; T411-L413 VanDerWaalsContact C-N 3.34Å; T411-L413 PolarHBondContact O-N 2.84Å; L413-E417 PolarHBondContact O-N 3.41Å; L413-V418 HydrophobicContact CD1-CG2 4.3Å; L413-V418 VanDerWaalsContact O-CG2 3.31Å; L413-V418 WeakPolarHBondContact O-CG2 3.34Å; L413-V418 PolarHBondContact O-N 2.99Å; L413-L470 HydrophobicContact CD2-CD2 3.98Å; L413-I494 HydrophobicContact CD1-CG2 4.36Å; L413-I494 HydrophobicContact CD2-CD1 4.27Å; L413-V526 HydrophobicContact CD1-CG1 3.97Å; L413-C529 HydrophobicContact CB-CB 4.36Å; L413-C529 HydrophobicContact CD1-CB 3.91Å; L413-V530 HydrophobicContact CD1-CG2 3.69Å; L413-V530 HydrophobicContact CD2-CG2 3.7Å; L413-V530 HydrophobicContact CG-CG2 4.37Å; L413-V533 HydrophobicContact CB-CG2 4.41Å; L413-V533 HydrophobicContact CD2-CG2 4.19Å
414I92.4Very high92.6Very high0 Ų039.7 Ų39.70%020%0.199CC..Iπ-helixtrans-73.9-59.4-177.1-61.5-163.2000111.2I377 A380 A381 I384 C410 T411 V418 M419 L470 V471I377-I414 HydrophobicContact CG2-CG2 3.8Å; A380-I414 HydrophobicContact CB-CD1 3.94Å; A380-I414 HydrophobicContact CB-CG2 4.43Å; A381-I414 HydrophobicContact CB-CG2 4.08Å; I384-I414 HydrophobicContact CD1-CD1 3.42Å; I384-I414 VanDerWaalsContact CD1-CD1 3.42Å; I384-I414 HydrophobicContact CD1-CG1 4.02Å; C410-I414 PolarHBondContact O-N 3.36Å; T411-I414 PolarHBondContact O-N 3.05Å; I414-V418 PolarHBondContact O-N 3.38Å; I414-M419 PolarHBondContact O-N 2.84Å; I414-M419 VanDerWaalsContact O-N 3.14Å; I414-L470 HydrophobicContact CD1-CD2 3.81Å; I414-L470 HydrophobicContact CG1-CD2 3.83Å; I414-V471 HydrophobicContact CD1-CG2 4.31Å
415Q87Confident92.7Very high97 Ų9736.9 Ų36.945%0.45319%0.186SC..Iπ-helixtrans-74.4-34.7-167.1-168.8179.61.600112.8A381 T411 M419A381-Q415 HydrophobicContact CB-CB 4.33Å; T411-Q415 HydrophobicContact CG2-CB 4.43Å; T411-Q415 VanDerWaalsContact O-CB 3.22Å; T411-Q415 WeakPolarHBondContact O-CB 3.45Å; T411-Q415 PolarHBondContact O-N 3.35Å; Q415-M419 HydrophobicContact CG-SD 4.21Å
416V87.9Confident92.7Very high46 Ų4634.4 Ų34.428%0.27918%0.175SC..Iπ-helixtrans-92-53.2-177.4-172.50000110.5S412 R420S412-V416 WeakPolarHBondContact O-CA 3.18Å; S412-V416 WeakPolarHBondContact O-CB 3.36Å; S412-V416 PolarHBondContact O-N 3.48Å; S412-V416 VanDerWaalsContact O-N 3.1Å; V416-R420 WeakPolarHBondContact O-CB 3.38Å; V416-R420 WeakPolarHBondContact O-CD 3.37Å; V416-R420 WeakPolarHBondContact O-CG 3.2Å
417E92.2Very high92.7Very high24 Ų2440.4 Ų40.411%0.11220%0.202CC..Iπ-helixtrans-91.7-50.4-168.8-66.2-55.7131.600114.1S412 L413 R420 L421 T525 V526 C529S412-E417 PolarHBondContact O-N 2.93Å; L413-E417 PolarHBondContact O-N 3.41Å; E417-R420 PolarHBondContact O-N 3.42Å; E417-L421 WeakPolarHBondContact O-CB 3.37Å; E417-L421 PolarHBondContact O-N 3.44Å; E417-T525 WeakPolarHBondContact OE2-CB 3.36Å; E417-T525 PolarHBondContact OE2-OG1 2.88Å; E417-V526 HydrophobicContact CB-CG2 3.73Å; E417-C529 HydrophobicContact CG-CB 4.36Å; E417-C529 VanDerWaalsContact CG-SG 3.52Å
418V93.6Very high92.8Very high2 Ų240.3 Ų40.31%0.01220%0.201CC..Iπ-helixtrans-64.8-45.1-178.2173.70000111.2I377 L413 I414 R420 L421 V422 V463 I494 T498 V526I377-V418 HydrophobicContact CD1-CG1 3.77Å; I377-V418 HydrophobicContact CG1-CG1 4.18Å; I377-V418 HydrophobicContact CG2-CG1 4.31Å; L413-V418 HydrophobicContact CD1-CG2 4.3Å; L413-V418 VanDerWaalsContact O-CG2 3.31Å; L413-V418 WeakPolarHBondContact O-CG2 3.34Å; L413-V418 PolarHBondContact O-N 2.99Å; I414-V418 PolarHBondContact O-N 3.38Å; V418-R420 PolarHBondContact O-N 2.74Å; V418-L421 PolarHBondContact O-N 3.07Å; V418-V422 WeakPolarHBondContact O-CG2 3.41Å; V418-V422 PolarHBondContact O-N 3.15Å; V418-V463 HydrophobicContact CG1-CG1 4.07Å; V418-I494 HydrophobicContact CG2-CG2 3.52Å; V418-T498 HydrophobicContact CG2-CG2 4.38Å; V418-V526 HydrophobicContact CG2-CG1 4.43Å; V418-V526 HydrophobicContact CG2-CG2 4.4Å
419M92.3Very high92.7Very high62 Ų6233.8 Ų33.831%0.30517%0.171SC..Hα-helixtrans-58.2-45.9176.2-76.4-172.868.300112.7I377 L378 I414 Q415 L421 V422 A423I377-M419 HydrophobicContact CG2-CG 3.39Å; I377-M419 HydrophobicContact CG2-SD 4.47Å; L378-M419 HydrophobicContact CD2-CE 3.32Å; L378-M419 HydrophobicContact CD2-SD 3.92Å; L378-M419 HydrophobicContact CG-CE 4.13Å; I414-M419 PolarHBondContact O-N 2.84Å; I414-M419 VanDerWaalsContact O-N 3.14Å; Q415-M419 HydrophobicContact CG-SD 4.21Å; M419-L421 VanDerWaalsContact C-N 3.34Å; M419-L421 PolarHBondContact O-N 3.01Å; M419-V422 PolarHBondContact O-N 2.98Å; M419-A423 WeakPolarHBondContact O-CB 3.11Å; M419-A423 PolarHBondContact O-N 3.37Å
420R93.1Very high92.6Very high131 Ų13136 Ų3649%0.49418%0.18SC..Hα-helixtrans-68.1-34.6179-69.9177.3-175.3169.1-4.4112.1V416 E417 V418 C424 R522V416-R420 WeakPolarHBondContact O-CB 3.38Å; V416-R420 WeakPolarHBondContact O-CD 3.37Å; V416-R420 WeakPolarHBondContact O-CG 3.2Å; E417-R420 PolarHBondContact O-N 3.42Å; V418-R420 PolarHBondContact O-N 2.74Å; R420-C424 WeakPolarHBondContact O-CB 3.34Å; R420-C424 PolarHBondContact O-N 3.09Å; R420-R522 VanDerWaalsContact CB-NH1 3.26Å
421L94.4Very high92.6Very high0 Ų037.9 Ų37.90%019%0.189CC..Hα-helixtrans-63.1-47.1174.3-174.1154.5000111E417 V418 M419 C424 A425 T498 L501 L519 R522 V526E417-L421 WeakPolarHBondContact O-CB 3.37Å; E417-L421 PolarHBondContact O-N 3.44Å; V418-L421 PolarHBondContact O-N 3.07Å; M419-L421 VanDerWaalsContact C-N 3.34Å; M419-L421 PolarHBondContact O-N 3.01Å; L421-C424 WeakPolarHBondContact O-CB 3.32Å; L421-C424 PolarHBondContact O-N 3.09Å; L421-A425 PolarHBondContact O-N 2.99Å; L421-T498 HydrophobicContact CD1-CG2 4.09Å; L421-T498 HydrophobicContact CD2-CG2 4.23Å; L421-L501 HydrophobicContact CD2-CD2 3.96Å; L421-L519 HydrophobicContact CD2-CD1 3.97Å; L421-L519 HydrophobicContact CG-CD1 3.89Å; L421-R522 HydrophobicContact CB-CB 4.21Å; L421-R522 HydrophobicContact CD1-CB 4.26Å; L421-R522 HydrophobicContact CG-CB 4.25Å; L421-V526 HydrophobicContact CB-CG2 4.42Å; L421-V526 HydrophobicContact CD1-CG2 3.75Å
422V93.6Very high92.6Very high4 Ų437.2 Ų37.22%0.02419%0.185CC..Hα-helixtrans-62.5-43.7177.8166.80000111.5M373 E374 I377 V418 M419 C424 A425 K426 V463 L501M373-V422 HydrophobicContact CE-CB 4.4Å; M373-V422 HydrophobicContact CE-CG1 3.4Å; M373-V422 VanDerWaalsContact CE-CG1 3.4Å; M373-V422 HydrophobicContact CE-CG2 4.16Å; M373-V422 HydrophobicContact SD-CG1 4.18Å; M373-V422 HydrophobicContact SD-CG2 3.87Å; E374-V422 HydrophobicContact CG-CG1 3.85Å; I377-V422 HydrophobicContact CD1-CB 4.34Å; I377-V422 HydrophobicContact CD1-CG2 3.61Å; V418-V422 WeakPolarHBondContact O-CG2 3.41Å; V418-V422 PolarHBondContact O-N 3.15Å; M419-V422 PolarHBondContact O-N 2.98Å; V422-C424 VanDerWaalsContact C-N 3.3Å; V422-C424 PolarHBondContact O-N 3.46Å; V422-A425 PolarHBondContact O-N 3.37Å; V422-K426 PolarHBondContact O-N 3.36Å; V422-V463 HydrophobicContact CG2-CG1 4.3Å; V422-L501 HydrophobicContact CG2-CD2 4.25Å
423A93Very high92.5Very high41 Ų4135.2 Ų35.234%0.33917%0.17SC..Hα-helixtrans-61.2-38.717500000112.4M419 K427M419-A423 WeakPolarHBondContact O-CB 3.11Å; M419-A423 PolarHBondContact O-N 3.37Å; A423-K427 WeakPolarHBondContact O-CG 3.44Å; A423-K427 PolarHBondContact O-N 3.08Å; A423-K427 VanDerWaalsContact O-N 3.13Å
424C94.2Very high92.3Very high3 Ų341.9 Ų41.92%0.0220%0.202CC..Hα-helixtrans-67-43.5174.5-174.10000111.7R420 L421 V422 K426 K427 L428 L519R420-C424 WeakPolarHBondContact O-CB 3.34Å; R420-C424 PolarHBondContact O-N 3.09Å; L421-C424 WeakPolarHBondContact O-CB 3.32Å; L421-C424 PolarHBondContact O-N 3.09Å; V422-C424 VanDerWaalsContact C-N 3.3Å; V422-C424 PolarHBondContact O-N 3.46Å; C424-K426 VanDerWaalsContact C-N 3.32Å; C424-K426 PolarHBondContact O-N 2.93Å; C424-K427 PolarHBondContact O-N 2.99Å; C424-L428 PolarHBondContact O-N 3.33Å; C424-L519 HydrophobicContact CB-CD1 4.37Å
425A93.9Very high92.1Very high1 Ų147.2 Ų47.21%0.00823%0.227CC..Hα-helixtrans-59.8-42176.600000111.8L421 V422 L428 Q429 L501 L519L421-A425 PolarHBondContact O-N 2.99Å; V422-A425 PolarHBondContact O-N 3.37Å; A425-L428 PolarHBondContact O-N 3.31Å; A425-Q429 WeakPolarHBondContact O-CB 3.49Å; A425-Q429 VanDerWaalsContact O-CD 3.31Å; A425-Q429 WeakPolarHBondContact O-CG 3.27Å; A425-Q429 PolarHBondContact O-N 2.87Å; A425-L501 HydrophobicContact CB-CD2 4Å; A425-L501 HydrophobicContact CB-CG 4.21Å; A425-L519 HydrophobicContact CB-CD1 3.93Å; A425-L519 HydrophobicContact CB-CD2 4.33Å
426K92.6Very high92.2Very high76 Ų7646.4 Ų46.433%0.3322%0.223SC..Hα-helixtrans-63.3-43175.2-175.2172.9178175.40112.5I370 E374 V422 C424 Q429 N430I370-K426 HydrophobicContact CG2-CD 4.17Å; E374-K426 VanDerWaalsContact CD-NZ 3.28Å; E374-K426 VanDerWaalsContact OE1-CD 3.26Å; E374-K426 WeakPolarHBondContact OE1-CD 3.41Å; E374-K426 IonicContact OE1-NZ 2.84Å; E374-K426 PolarHBondContact OE1-NZ 3.02Å; E374-K426 IonicContact OE2-NZ 3.1Å; E374-K426 PolarHBondContact OE2-NZ 3.49Å; V422-K426 PolarHBondContact O-N 3.36Å; C424-K426 VanDerWaalsContact C-N 3.32Å; C424-K426 PolarHBondContact O-N 2.93Å; K426-Q429 PolarHBondContact O-N 3.48Å; K426-N430 PolarHBondContact O-N 3.38Å; K426-N430 PolarHBondContact O-ND2 3.28Å
427K93.9Very high92.1Very high129 Ų12948.9 Ų48.956%0.56123%0.227SC*.Hα-helixtrans-61-44173.6-72.1176-177.2-178.40111.7A423 C424 Q429 N430 E431 L515A423-K427 WeakPolarHBondContact O-CG 3.44Å; A423-K427 PolarHBondContact O-N 3.08Å; A423-K427 VanDerWaalsContact O-N 3.13Å; C424-K427 PolarHBondContact O-N 2.99Å; K427-Q429 VanDerWaalsContact C-N 3.35Å; K427-N430 WeakPolarHBondContact O-CB 3.34Å; K427-N430 PolarHBondContact O-N 3.42Å; K427-E431 PolarHBondContact O-N 2.93Å; K427-L515 HydrophobicContact CB-CD1 4.01Å; K427-L515 HydrophobicContact CB-CD2 4.26Å
428L93.8Very high91.7Very high0 Ų050.5 Ų50.50%025%0.25CC..Hα-helixtrans-63.2-41.7177.3178.262.9000111.5C424 A425 N430 E431 I432 A509 L515 L516 L519C424-L428 PolarHBondContact O-N 3.33Å; A425-L428 PolarHBondContact O-N 3.31Å; L428-N430 VanDerWaalsContact C-N 3.33Å; L428-N430 PolarHBondContact O-N 3.12Å; L428-E431 WeakPolarHBondContact O-CB 3.28Å; L428-E431 PolarHBondContact O-N 3.3Å; L428-I432 HydrophobicContact CD1-CD1 4.45Å; L428-I432 HydrophobicContact CD1-CG1 4.5Å; L428-I432 HydrophobicContact CG-CD1 4.11Å; L428-I432 VanDerWaalsContact O-CG1 3.26Å; L428-I432 WeakPolarHBondContact O-CG1 3.31Å; L428-I432 PolarHBondContact O-N 2.93Å; L428-A509 HydrophobicContact CD1-CB 4.03Å; L428-A509 HydrophobicContact CD2-CB 4.22Å; L428-A509 HydrophobicContact CG-CB 4.42Å; L428-L515 HydrophobicContact CB-CB 4.15Å; L428-L515 HydrophobicContact CD1-CB 3.89Å; L428-L516 HydrophobicContact CD1-CB 4.25Å; L428-L516 HydrophobicContact CD2-CB 4.29Å; L428-L516 HydrophobicContact CD2-CD1 3.94Å; L428-L519 HydrophobicContact CD2-CD2 3.55Å
429Q91.9Very high91.4Very high1 Ų157.7 Ų57.71%0.00529%0.293CS..Hα-helixtrans-62.7-41.4176.4-69.9157.81100111.3Y366 A425 K426 K427 I432 V433 L456 S505Y366-Q429 WeakPolarHBondContact OH-CB 3.21Å; Y366-Q429 VanDerWaalsContact OH-CD 3.29Å; Y366-Q429 PolarHBondContact OH-OE1 2.96Å; A425-Q429 WeakPolarHBondContact O-CB 3.49Å; A425-Q429 VanDerWaalsContact O-CD 3.31Å; A425-Q429 WeakPolarHBondContact O-CG 3.27Å; A425-Q429 PolarHBondContact O-N 2.87Å; K426-Q429 PolarHBondContact O-N 3.48Å; K427-Q429 VanDerWaalsContact C-N 3.35Å; Q429-I432 PolarHBondContact O-N 3.11Å; Q429-V433 WeakPolarHBondContact O-CG2 3.4Å; Q429-V433 PolarHBondContact O-N 2.92Å; Q429-L456 HydrophobicContact CG-CD1 4.02Å; Q429-S505 PolarHBondContact NE2-OG 3.04Å
430N91.1Very high91Very high74 Ų7456.5 Ų56.540%0.39629%0.291SS..Hα-helixtrans-62.8-41173.2-71.5-21.1000112.5K426 K427 L428 V433 Q434K426-N430 PolarHBondContact O-N 3.38Å; K426-N430 PolarHBondContact O-ND2 3.28Å; K427-N430 WeakPolarHBondContact O-CB 3.34Å; K427-N430 PolarHBondContact O-N 3.42Å; L428-N430 VanDerWaalsContact C-N 3.33Å; L428-N430 PolarHBondContact O-N 3.12Å; N430-V433 PolarHBondContact O-N 3.32Å; N430-Q434 WeakPolarHBondContact O-CB 3.24Å; N430-Q434 WeakPolarHBondContact O-CG 3.5Å; N430-Q434 PolarHBondContact O-N 2.87Å
431E93.6Very high90.7Very high40 Ų4052.7 Ų52.719%0.18729%0.285CS..Hα-helixtrans-59.8-48.3174.7-179.7-173.297.900111.2K427 L428 V433 Q434 Q435 S513 L515K427-E431 PolarHBondContact O-N 2.93Å; L428-E431 WeakPolarHBondContact O-CB 3.28Å; L428-E431 PolarHBondContact O-N 3.3Å; E431-V433 VanDerWaalsContact C-N 3.34Å; E431-V433 PolarHBondContact O-N 3.41Å; E431-Q434 PolarHBondContact O-N 3.18Å; E431-Q435 HydrophobicContact CG-CG 4.37Å; E431-Q435 VanDerWaalsContact CG-NE2 3.26Å; E431-Q435 WeakPolarHBondContact O-CB 3.31Å; E431-Q435 VanDerWaalsContact O-CG 3.31Å; E431-Q435 WeakPolarHBondContact O-CG 3.45Å; E431-Q435 PolarHBondContact O-N 3.49Å; E431-S513 WeakPolarHBondContact OE1-CB 3.2Å; E431-S513 PolarHBondContact OE1-OG 3.34Å; E431-L515 HydrophobicContact CB-CD1 4.04Å; E431-L515 WeakPolarHBondContact OE2-CD1 3.33Å
432I92.5Very high90.3Very high0 Ų054.6 Ų54.60%030%0.3CS..Hα-helixtrans-56.7-49.1178.2-69.2165.7000110.6L428 Q429 Q435 Q436 F445 W452 K508 A509L428-I432 HydrophobicContact CD1-CD1 4.45Å; L428-I432 HydrophobicContact CD1-CG1 4.5Å; L428-I432 HydrophobicContact CG-CD1 4.11Å; L428-I432 VanDerWaalsContact O-CG1 3.26Å; L428-I432 WeakPolarHBondContact O-CG1 3.31Å; L428-I432 PolarHBondContact O-N 2.93Å; Q429-I432 PolarHBondContact O-N 3.11Å; I432-Q435 PolarHBondContact O-N 3.18Å; I432-Q436 VanDerWaalsContact O-CB 3.3Å; I432-Q436 WeakPolarHBondContact O-CB 3.26Å; I432-Q436 WeakPolarHBondContact O-CG 3.38Å; I432-Q436 PolarHBondContact O-N 2.89Å; I432-F445 HydrophobicContact CG2-CE1 4.24Å; I432-F445 HydrophobicContact CG2-CZ 4.09Å; I432-W452 HydrophobicContact CB-CH2 4.43Å; I432-W452 HydrophobicContact CD1-CH2 4.4Å; I432-W452 HydrophobicContact CD1-CZ2 3.87Å; I432-W452 HydrophobicContact CG2-CH2 3.84Å; I432-W452 HydrophobicContact CG2-CZ2 4.1Å; I432-K508 HydrophobicContact CD1-CB 4.31Å; I432-K508 HydrophobicContact CG2-CB 3.7Å; I432-A509 HydrophobicContact CD1-CB 3.94Å; I432-A509 HydrophobicContact CG1-CB 4.35Å
433V91.4Very high89.8Confident8 Ų858.5 Ų58.55%0.04832%0.317CS..Hα-helixtrans-63.5-44.6-179.5175.90000110.2Q429 N430 E431 Q435 Q436 R437 A442 F445 Y446Q429-V433 WeakPolarHBondContact O-CG2 3.4Å; Q429-V433 PolarHBondContact O-N 2.92Å; N430-V433 PolarHBondContact O-N 3.32Å; E431-V433 VanDerWaalsContact C-N 3.34Å; E431-V433 PolarHBondContact O-N 3.41Å; V433-Q435 VanDerWaalsContact C-N 3.34Å; V433-Q435 PolarHBondContact O-N 3.49Å; V433-Q436 PolarHBondContact O-N 2.98Å; V433-R437 HydrophobicContact CG1-CB 4.4Å; V433-R437 WeakPolarHBondContact O-CB 3.22Å; V433-R437 VanDerWaalsContact O-CD 3.32Å; V433-R437 WeakPolarHBondContact O-CD 3.4Å; V433-R437 WeakPolarHBondContact O-CG 3.2Å; V433-R437 PolarHBondContact O-N 3.41Å; V433-A442 HydrophobicContact CG1-CB 3.79Å; V433-F445 HydrophobicContact CB-CD1 4.25Å; V433-F445 HydrophobicContact CB-CE1 4.45Å; V433-F445 HydrophobicContact CG1-CD1 4.22Å; V433-F445 HydrophobicContact CG1-CG 4.5Å; V433-F445 HydrophobicContact CG2-CD1 3.7Å; V433-F445 HydrophobicContact CG2-CE1 3.83Å; V433-Y446 HydrophobicContact CG2-CE1 4.01Å; V433-Y446 HydrophobicContact CG2-CE2 4.22Å; V433-Y446 WeakPolarHBondContact CG2-OH 3.1Å
434Q89.6Confident89.5Confident141 Ų14160.1 Ų60.166%0.65932%0.32SS*.Hα-helixtrans-63.2-39.3179.5-74.4175.211.800112.7N430 E431N430-Q434 WeakPolarHBondContact O-CB 3.24Å; N430-Q434 WeakPolarHBondContact O-CG 3.5Å; N430-Q434 PolarHBondContact O-N 2.87Å; E431-Q434 PolarHBondContact O-N 3.18Å
435Q89.4Confident89.3Confident112 Ų11260.3 Ų60.352%0.52332%0.32SS..Hα-helixtrans-75.2-36.7179.5-69.7176.94.200112.9E431 I432 V433E431-Q435 HydrophobicContact CG-CG 4.37Å; E431-Q435 VanDerWaalsContact CG-NE2 3.26Å; E431-Q435 WeakPolarHBondContact O-CB 3.31Å; E431-Q435 VanDerWaalsContact O-CG 3.31Å; E431-Q435 WeakPolarHBondContact O-CG 3.45Å; E431-Q435 PolarHBondContact O-N 3.49Å; I432-Q435 PolarHBondContact O-N 3.18Å; V433-Q435 VanDerWaalsContact C-N 3.34Å; V433-Q435 PolarHBondContact O-N 3.49Å
436Q89.4Confident89Confident80 Ų8060.7 Ų60.737%0.37432%0.322SS..Hα-helixtrans-107.3-14-167.8-61.1-179.46.600114.9I432 V433 G438 F445 K508I432-Q436 VanDerWaalsContact O-CB 3.3Å; I432-Q436 WeakPolarHBondContact O-CB 3.26Å; I432-Q436 WeakPolarHBondContact O-CG 3.38Å; I432-Q436 PolarHBondContact O-N 2.89Å; V433-Q436 PolarHBondContact O-N 2.98Å; Q436-G438 PolarHBondContact O-N 2.92Å; Q436-F445 HydrophobicContact CB-CD2 4.45Å; Q436-F445 HydrophobicContact CB-CE2 3.45Å; Q436-F445 VanDerWaalsContact CB-CE2 3.45Å; Q436-F445 HydrophobicContact CB-CZ 3.77Å; Q436-K508 PolarHBondContact NE2-O 3.19Å
437R84.9Confident88.7Confident98 Ų9860.6 Ų60.637%0.3732%0.321SS..  trans-65.3-26.7179.871.3-168.9-175.7105.9-6113.6V433 V439 S440 F445 R448V433-R437 HydrophobicContact CG1-CB 4.4Å; V433-R437 WeakPolarHBondContact O-CB 3.22Å; V433-R437 VanDerWaalsContact O-CD 3.32Å; V433-R437 WeakPolarHBondContact O-CD 3.4Å; V433-R437 WeakPolarHBondContact O-CG 3.2Å; V433-R437 PolarHBondContact O-N 3.41Å; R437-V439 PolarHBondContact O-N 3.08Å; R437-S440 PolarHBondContact NH1-O 2.98Å; R437-S440 VanDerWaalsContact NH1-O 3.08Å; R437-S440 WeakPolarHBondContact O-CB 3.26Å; R437-S440 PolarHBondContact O-N 3.15Å; R437-S440 PolarHBondContact O-OG 2.9Å; R437-F445 HydrophobicContact CB-CB 4.09Å; R437-F445 HydrophobicContact CB-CD2 4.19Å; R437-F445 HydrophobicContact CB-CG 4.29Å; R437-R448 PolarHBondContact O-NH2 2.96Å
438G84.9Confident88.3Confident57 Ų5760.8 Ų60.859%0.58832%0.318SS*.THydrogen-bonded Turntrans62.7-126.6-171.100000111.3Q436 S440Q436-G438 PolarHBondContact O-N 2.92Å; G438-S440 VanDerWaalsContact C-N 3.34Å
439V85.7Confident88Confident153 Ų15362.1 Ų62.193%0.92733%0.326SS*.THydrogen-bonded Turntrans-83.7-12.1178.3-169.60000112.2R437R437-V439 PolarHBondContact O-N 3.08Å
440S84Confident87.7Confident37 Ų3765.5 Ų65.526%0.25934%0.341SS..SBendtrans-75.5161.3-175.3-48.60000113.3R437 G438 R448R437-S440 PolarHBondContact NH1-O 2.98Å; R437-S440 VanDerWaalsContact NH1-O 3.08Å; R437-S440 WeakPolarHBondContact O-CB 3.26Å; R437-S440 PolarHBondContact O-N 3.15Å; R437-S440 PolarHBondContact O-OG 2.9Å; G438-S440 VanDerWaalsContact C-N 3.34Å; S440-R448 PolarHBondContact OG-NH1 2.98Å; S440-R448 PolarHBondContact OG-NH2 2.68Å; S440-R448 VanDerWaalsContact OG-NH2 3.1Å
441S86.9Confident87.3Confident51 Ų5165.8 Ų65.836%0.35734%0.34SS..  trans-67.8159.9171.275.90000111.2K443 D444 F445S441-K443 PolarHBondContact O-N 3.43Å; S441-K443 PolarHBondContact OG-N 3.19Å; S441-D444 WeakPolarHBondContact CB-OD2 3.4Å; S441-D444 PolarHBondContact N-OD2 3.2Å; S441-D444 PolarHBondContact O-N 2.76Å; S441-D444 PolarHBondContact OG-N 2.9Å; S441-D444 PolarHBondContact OG-OD2 3.11Å; S441-F445 PolarHBondContact O-N 2.96Å; S441-F445 VanDerWaalsContact O-N 3.11Å
442A85.6Confident87Confident40 Ų4064.7 Ų64.733%0.33133%0.334SS..Hα-helixtrans-60.5-38.2172.500000111.1V433 D444 F445 Y446V433-A442 HydrophobicContact CG1-CB 3.79Å; A442-D444 PolarHBondContact O-N 2.9Å; A442-F445 WeakPolarHBondContact O-CA 3.38Å; A442-F445 WeakPolarHBondContact O-CB 3.43Å; A442-F445 PolarHBondContact O-N 2.75Å; A442-Y446 HydrophobicContact CB-CE2 4.38Å; A442-Y446 WeakPolarHBondContact O-CD2 3.34Å; A442-Y446 PolarHBondContact O-N 3.06Å
443K84.8Confident86.9Confident87 Ų8764.7 Ų64.738%0.37833%0.334SS..Hα-helixtrans-57-48.9176.2-162.7179.9176.6154.60111.6D360 A363 D364 S441 F445 Y446 K447D360-K443 WeakPolarHBondContact O-CE 3.28Å; A363-K443 HydrophobicContact CB-CB 4.29Å; A363-K443 HydrophobicContact CB-CD 4.49Å; A363-K443 HydrophobicContact CB-CG 3.41Å; A363-K443 VanDerWaalsContact CB-CG 3.41Å; D364-K443 VanDerWaalsContact OD1-CE 3.22Å; D364-K443 WeakPolarHBondContact OD1-CE 3.25Å; D364-K443 IonicContact OD1-NZ 3.22Å; D364-K443 PolarHBondContact OD1-NZ 3.43Å; D364-K443 IonicContact OD2-NZ 2.74Å; D364-K443 PolarHBondContact OD2-NZ 3.34Å; S441-K443 PolarHBondContact O-N 3.43Å; S441-K443 PolarHBondContact OG-N 3.19Å; K443-F445 PolarHBondContact O-N 3.47Å; K443-Y446 PolarHBondContact O-N 3.45Å; K443-K447 WeakPolarHBondContact O-CB 3.47Å; K443-K447 PolarHBondContact O-N 3.35Å
444D85.8Confident86.5Confident75 Ų7567.3 Ų67.340%0.40135%0.346SS..Hα-helixtrans-64.1-30.3176.2-59.2-42.5000112.6S441 A442 R448S441-D444 WeakPolarHBondContact CB-OD2 3.4Å; S441-D444 PolarHBondContact N-OD2 3.2Å; S441-D444 PolarHBondContact O-N 2.76Å; S441-D444 PolarHBondContact OG-N 2.9Å; S441-D444 PolarHBondContact OG-OD2 3.11Å; A442-D444 PolarHBondContact O-N 2.9Å; D444-R448 WeakPolarHBondContact O-CB 3.29Å; D444-R448 VanDerWaalsContact O-CG 3.22Å; D444-R448 WeakPolarHBondContact O-CG 3.48Å; D444-R448 PolarHBondContact O-N 3.44Å; D444-R448 VanDerWaalsContact O-N 3.08Å; D444-R448 PolarHBondContact O-NE 3.34Å
445F89.4Confident86.4Confident6 Ų662 Ų623%0.02633%0.33CS..Hα-helixtrans-69-46176.4-179.2-95.9000111.8I432 V433 Q436 R437 S441 A442 K443 R448 N449 W452I432-F445 HydrophobicContact CG2-CE1 4.24Å; I432-F445 HydrophobicContact CG2-CZ 4.09Å; V433-F445 HydrophobicContact CB-CD1 4.25Å; V433-F445 HydrophobicContact CB-CE1 4.45Å; V433-F445 HydrophobicContact CG1-CD1 4.22Å; V433-F445 HydrophobicContact CG1-CG 4.5Å; V433-F445 HydrophobicContact CG2-CD1 3.7Å; V433-F445 HydrophobicContact CG2-CE1 3.83Å; Q436-F445 HydrophobicContact CB-CD2 4.45Å; Q436-F445 HydrophobicContact CB-CE2 3.45Å; Q436-F445 VanDerWaalsContact CB-CE2 3.45Å; Q436-F445 HydrophobicContact CB-CZ 3.77Å; R437-F445 HydrophobicContact CB-CB 4.09Å; R437-F445 HydrophobicContact CB-CD2 4.19Å; R437-F445 HydrophobicContact CB-CG 4.29Å; S441-F445 PolarHBondContact O-N 2.96Å; S441-F445 VanDerWaalsContact O-N 3.11Å; A442-F445 WeakPolarHBondContact O-CA 3.38Å; A442-F445 WeakPolarHBondContact O-CB 3.43Å; A442-F445 PolarHBondContact O-N 2.75Å; K443-F445 PolarHBondContact O-N 3.47Å; F445-R448 PolarHBondContact O-N 3.01Å; F445-N449 WeakPolarHBondContact CE2-ND2 3.37Å; F445-N449 WeakPolarHBondContact O-CB 3.33Å; F445-N449 PolarHBondContact O-N 2.96Å; F445-N449 VanDerWaalsContact O-N 3.08Å; F445-N449 PolarHBondContact O-ND2 3Å; F445-W452 HydrophobicContact CD1-CZ3 4.48Å; F445-W452 HydrophobicContact CE1-CE3 4.43Å; F445-W452 HydrophobicContact CE1-CH2 4.31Å; F445-W452 AromaticContact CE1-CZ3 3.73Å; F445-W452 HydrophobicContact CE1-CZ3 3.73Å
446Y88.5Confident86.4Confident10 Ų1056.7 Ų56.74%0.03931%0.305CS..Hα-helixtrans-64.5-42.8175.5-67.9-63.8000111.6Y366 V433 A442 K443 R448 N449 H450 W452 T453Y366-Y446 HydrophobicContact CD1-CD2 4.37Å; Y366-Y446 AromaticContact CD1-CE1 3.94Å; Y366-Y446 HydrophobicContact CD1-CE1 3.94Å; Y366-Y446 AromaticContact CD1-CE2 3.78Å; Y366-Y446 HydrophobicContact CD1-CE2 3.78Å; Y366-Y446 AromaticContact CD1-CZ 3.53Å; Y366-Y446 HydrophobicContact CD2-CD1 4.42Å; Y366-Y446 HydrophobicContact CD2-CE1 4.07Å; Y366-Y446 AromaticContact CE1-CE1 3.85Å; Y366-Y446 HydrophobicContact CE1-CE1 3.85Å; Y366-Y446 AromaticContact CE1-CE2 3.98Å; Y366-Y446 HydrophobicContact CE1-CE2 3.98Å; Y366-Y446 AromaticContact CE1-CZ 3.34Å; Y366-Y446 WeakPolarHBondContact CE1-OH 3.41Å; Y366-Y446 AromaticContact CE2-CE1 3.97Å; Y366-Y446 HydrophobicContact CE2-CE1 3.97Å; Y366-Y446 HydrophobicContact CG-CD1 4.32Å; Y366-Y446 HydrophobicContact CG-CE1 4.04Å; Y366-Y446 HydrophobicContact CG-CE2 4.42Å; Y366-Y446 AromaticContact CZ-CE1 3.83Å; Y366-Y446 AromaticContact CZ-CZ 3.75Å; Y366-Y446 VanDerWaalsContact CZ-OH 3.31Å; Y366-Y446 PolarHBondContact OH-OH 3.42Å; V433-Y446 HydrophobicContact CG2-CE1 4.01Å; V433-Y446 HydrophobicContact CG2-CE2 4.22Å; V433-Y446 WeakPolarHBondContact CG2-OH 3.1Å; A442-Y446 HydrophobicContact CB-CE2 4.38Å; A442-Y446 WeakPolarHBondContact O-CD2 3.34Å; A442-Y446 PolarHBondContact O-N 3.06Å; K443-Y446 PolarHBondContact O-N 3.45Å; Y446-R448 PolarHBondContact O-N 3.04Å; Y446-N449 CarbonylContact O-C 3.6Å; Y446-N449 PolarHBondContact O-N 3Å; Y446-H450 PolarHBondContact O-N 3.38Å; Y446-W452 HydrophobicContact CD1-CZ3 4.11Å; Y446-W452 HydrophobicContact CE1-CH2 4.49Å; Y446-W452 AromaticContact CE1-CZ3 3.92Å; Y446-W452 HydrophobicContact CE1-CZ3 3.92Å; Y446-T453 HydrophobicContact CD1-CG2 3.96Å; Y446-T453 HydrophobicContact CG-CG2 4.42Å; Y446-T453 PolarHBondContact O-OG1 2.93Å
447K85.4Confident86.3Confident73 Ų7353.6 Ų53.632%0.31729%0.291SS..Hα-helixtrans-55.3-48.8174.8-170.6178.5-173.2176.20112.1V359 D360 K443 N449 H450V359-K447 HydrophobicContact CB-CG 4.33Å; V359-K447 HydrophobicContact CG1-CG 3.6Å; D360-K447 VanDerWaalsContact OD1-CE 3.24Å; D360-K447 WeakPolarHBondContact OD1-CE 3.33Å; D360-K447 IonicContact OD1-NZ 3.81Å; D360-K447 PolarHBondContact OD1-NZ 3.34Å; D360-K447 IonicContact OD2-NZ 2.68Å; D360-K447 PolarHBondContact OD2-NZ 3.23Å; K443-K447 WeakPolarHBondContact O-CB 3.47Å; K443-K447 PolarHBondContact O-N 3.35Å; K447-N449 VanDerWaalsContact C-N 3.25Å; K447-N449 PolarHBondContact O-N 3.02Å; K447-H450 PolarHBondContact O-N 3.47Å
448R86.7Confident86.4Confident133 Ų13352.3 Ų52.350%0.50230%0.297SS..Hα-helixtrans-66.8-26.4178.2-73177.4-65.81702.8113.2R437 S440 D444 F445 Y446R437-R448 PolarHBondContact O-NH2 2.96Å; S440-R448 PolarHBondContact OG-NH1 2.98Å; S440-R448 PolarHBondContact OG-NH2 2.68Å; S440-R448 VanDerWaalsContact OG-NH2 3.1Å; D444-R448 WeakPolarHBondContact O-CB 3.29Å; D444-R448 VanDerWaalsContact O-CG 3.22Å; D444-R448 WeakPolarHBondContact O-CG 3.48Å; D444-R448 PolarHBondContact O-N 3.44Å; D444-R448 VanDerWaalsContact O-N 3.08Å; D444-R448 PolarHBondContact O-NE 3.34Å; F445-R448 PolarHBondContact O-N 3.01Å; Y446-R448 PolarHBondContact O-N 3.04Å
449N87Confident86.7Confident28 Ų2849.6 Ų49.615%0.1527%0.269CS..THydrogen-bonded Turntrans-111.741.9179.8-61.4-83.4000111.1F445 Y446 K447 E451 W452 T453 K508F445-N449 WeakPolarHBondContact CE2-ND2 3.37Å; F445-N449 WeakPolarHBondContact O-CB 3.33Å; F445-N449 PolarHBondContact O-N 2.96Å; F445-N449 VanDerWaalsContact O-N 3.08Å; F445-N449 PolarHBondContact O-ND2 3Å; Y446-N449 CarbonylContact O-C 3.6Å; Y446-N449 PolarHBondContact O-N 3Å; K447-N449 VanDerWaalsContact C-N 3.25Å; K447-N449 PolarHBondContact O-N 3.02Å; N449-E451 PolarHBondContact O-N 2.86Å; N449-W452 HydrophobicContact CB-CB 4.36Å; N449-W452 HydrophobicContact CB-CE3 4.12Å; N449-W452 PolarHBondContact O-N 3.44Å; N449-W452 VanDerWaalsContact O-N 3.16Å; N449-T453 PolarHBondContact O-N 3.47Å; N449-T453 PolarHBondContact O-OG1 2.99Å; N449-K508 WeakPolarHBondContact OD1-CE 3.28Å; N449-K508 PolarHBondContact OD1-NZ 3.27Å
450H85.6Confident86.9Confident73 Ų7342.3 Ų42.334%0.33823%0.225SC..Hα-helixtrans-50.4-53.4-17762.8-41000114.4V359 L362 Y446 K447 W452 T453 E454V359-H450 HydrophobicContact CG1-CB 3.93Å; L362-H450 HydrophobicContact CD2-CB 3.56Å; Y446-H450 PolarHBondContact O-N 3.38Å; K447-H450 PolarHBondContact O-N 3.47Å; H450-W452 VanDerWaalsContact C-N 3.27Å; H450-W452 PolarHBondContact O-N 3.25Å; H450-T453 CarbonylContact O-C 3.52Å; H450-T453 WeakPolarHBondContact O-CA 3.22Å; H450-T453 WeakPolarHBondContact O-CB 3.49Å; H450-T453 PolarHBondContact O-N 3.32Å; H450-E454 WeakPolarHBondContact O-CG 3.16Å; H450-E454 PolarHBondContact O-N 2.93Å
451E81.7Confident87.1Confident79 Ų7945.1 Ų45.137%0.36923%0.232SC..Hα-helixtrans-55.4-38.9178.1-65.4174.2176.100113.6K295 N449 G455K295-E451 WeakPolarHBondContact CE-OE1 3.48Å; K295-E451 VanDerWaalsContact CG-OE1 3.31Å; K295-E451 WeakPolarHBondContact CG-OE1 3.25Å; N449-E451 PolarHBondContact O-N 2.86Å; E451-G455 PolarHBondContact O-N 3.48Å
452W89Confident87.2Confident17 Ų1743.9 Ų43.96%0.06423%0.226CC..Hα-helixtrans-69.9-40.3176173.165.5000111.3I432 F445 Y446 N449 H450 G455 L456 A504 K508I432-W452 HydrophobicContact CB-CH2 4.43Å; I432-W452 HydrophobicContact CD1-CH2 4.4Å; I432-W452 HydrophobicContact CD1-CZ2 3.87Å; I432-W452 HydrophobicContact CG2-CH2 3.84Å; I432-W452 HydrophobicContact CG2-CZ2 4.1Å; F445-W452 HydrophobicContact CD1-CZ3 4.48Å; F445-W452 HydrophobicContact CE1-CE3 4.43Å; F445-W452 HydrophobicContact CE1-CH2 4.31Å; F445-W452 AromaticContact CE1-CZ3 3.73Å; F445-W452 HydrophobicContact CE1-CZ3 3.73Å; Y446-W452 HydrophobicContact CD1-CZ3 4.11Å; Y446-W452 HydrophobicContact CE1-CH2 4.49Å; Y446-W452 AromaticContact CE1-CZ3 3.92Å; Y446-W452 HydrophobicContact CE1-CZ3 3.92Å; N449-W452 HydrophobicContact CB-CB 4.36Å; N449-W452 HydrophobicContact CB-CE3 4.12Å; N449-W452 PolarHBondContact O-N 3.44Å; N449-W452 VanDerWaalsContact O-N 3.16Å; H450-W452 VanDerWaalsContact C-N 3.27Å; H450-W452 PolarHBondContact O-N 3.25Å; W452-G455 PolarHBondContact O-N 3.4Å; W452-L456 HydrophobicContact CD2-CD1 4.01Å; W452-L456 HydrophobicContact CE3-CD1 4.18Å; W452-L456 HydrophobicContact CH2-CD1 3.65Å; W452-L456 HydrophobicContact CZ2-CD1 3.42Å; W452-L456 VanDerWaalsContact CZ2-CD1 3.42Å; W452-L456 HydrophobicContact CZ2-CG 4.34Å; W452-L456 HydrophobicContact CZ3-CD1 4.01Å; W452-L456 WeakPolarHBondContact O-CG 3.25Å; W452-L456 PolarHBondContact O-N 3.05Å; W452-A504 PolarHBondContact NE1-O 2.96Å; W452-K508 HydrophobicContact CB-CG 4.44Å; W452-K508 HydrophobicContact CD2-CB 4.22Å; W452-K508 HydrophobicContact CD2-CG 3.61Å; W452-K508 HydrophobicContact CE3-CG 4.3Å; W452-K508 HydrophobicContact CG-CG 3.66Å; W452-K508 HydrophobicContact CZ2-CB 3.85Å; W452-K508 HydrophobicContact CZ2-CG 4.19Å
453T89.2Confident87.5Confident0 Ų042.2 Ų42.20%021%0.211CC..Hα-helixtrans-64.1-44.9177.1-50.80000110.7L362 Y366 Y446 N449 H450 G455 L456 L457L362-T453 HydrophobicContact CD2-CG2 4.13Å; L362-T453 HydrophobicContact CG-CG2 3.98Å; Y366-T453 HydrophobicContact CD2-CG2 3.99Å; Y366-T453 HydrophobicContact CG-CG2 4.36Å; Y446-T453 HydrophobicContact CD1-CG2 3.96Å; Y446-T453 HydrophobicContact CG-CG2 4.42Å; Y446-T453 PolarHBondContact O-OG1 2.93Å; N449-T453 PolarHBondContact O-N 3.47Å; N449-T453 PolarHBondContact O-OG1 2.99Å; H450-T453 CarbonylContact O-C 3.52Å; H450-T453 WeakPolarHBondContact O-CA 3.22Å; H450-T453 WeakPolarHBondContact O-CB 3.49Å; H450-T453 PolarHBondContact O-N 3.32Å; T453-G455 PolarHBondContact O-N 3.23Å; T453-L456 WeakPolarHBondContact O-CB 3.37Å; T453-L456 PolarHBondContact O-N 2.83Å; T453-L457 HydrophobicContact CG2-CD1 4.13Å; T453-L457 HydrophobicContact CG2-CG 4.47Å; T453-L457 VanDerWaalsContact O-CG 3.27Å; T453-L457 WeakPolarHBondContact O-CG 3.39Å; T453-L457 PolarHBondContact O-N 3.24Å
454E83.2Confident87.8Confident63 Ų6338.3 Ų38.329%0.29420%0.196SC..Hα-helixtrans-60.3-43.1173.3-71-177.4159.400112.3L362 H450 L456 L457 S458L362-E454 HydrophobicContact CD1-CG 3.94Å; L362-E454 HydrophobicContact CD2-CG 4.18Å; H450-E454 WeakPolarHBondContact O-CG 3.16Å; H450-E454 PolarHBondContact O-N 2.93Å; E454-L456 VanDerWaalsContact C-N 3.3Å; E454-L456 PolarHBondContact O-N 3.43Å; E454-L457 PolarHBondContact O-N 2.97Å; E454-S458 VanDerWaalsContact O-CB 3.26Å; E454-S458 WeakPolarHBondContact O-CB 3.29Å; E454-S458 PolarHBondContact O-N 3.41Å
455G87.1Confident87.9Confident31 Ų3139.7 Ų39.732%0.3220%0.203SC..Hα-helixtrans-59.7-39.9174.900000112.7E451 W452 T453 A459E451-G455 PolarHBondContact O-N 3.48Å; W452-G455 PolarHBondContact O-N 3.4Å; T453-G455 PolarHBondContact O-N 3.23Å; G455-A459 WeakPolarHBondContact O-CB 3.23Å; G455-A459 PolarHBondContact O-N 2.99Å; G455-A459 VanDerWaalsContact O-N 3.12Å
456L90.1Very high88Confident0 Ų040.7 Ų40.70%021%0.207CC..Hα-helixtrans-66.7-46.2173.8-77.1179.7000112.3Y366 Q429 W452 T453 E454 A459 A460 A504Y366-L456 HydrophobicContact CE2-CD1 4.14Å; Q429-L456 HydrophobicContact CG-CD1 4.02Å; W452-L456 HydrophobicContact CD2-CD1 4.01Å; W452-L456 HydrophobicContact CE3-CD1 4.18Å; W452-L456 HydrophobicContact CH2-CD1 3.65Å; W452-L456 HydrophobicContact CZ2-CD1 3.42Å; W452-L456 VanDerWaalsContact CZ2-CD1 3.42Å; W452-L456 HydrophobicContact CZ2-CG 4.34Å; W452-L456 HydrophobicContact CZ3-CD1 4.01Å; W452-L456 WeakPolarHBondContact O-CG 3.25Å; W452-L456 PolarHBondContact O-N 3.05Å; T453-L456 WeakPolarHBondContact O-CB 3.37Å; T453-L456 PolarHBondContact O-N 2.83Å; E454-L456 VanDerWaalsContact C-N 3.3Å; E454-L456 PolarHBondContact O-N 3.43Å; L456-A459 PolarHBondContact O-N 3.48Å; L456-A460 WeakPolarHBondContact O-CB 3.43Å; L456-A460 PolarHBondContact O-N 2.96Å; L456-A504 HydrophobicContact CD2-CB 3.8Å; L456-A504 HydrophobicContact CG-CB 4.47Å
457L86.8Confident88.3Confident14 Ų1440.3 Ų40.37%0.07321%0.206CC..Hα-helixtrans-65.4-41.3-179.3-67.4172.9000111.8L362 Y366 E369 T453 E454 A460 K461L362-L457 HydrophobicContact CD1-CD1 3.73Å; Y366-L457 HydrophobicContact CD2-CD2 3.94Å; Y366-L457 HydrophobicContact CD2-CG 4.4Å; Y366-L457 HydrophobicContact CG-CD2 4.48Å; E369-L457 HydrophobicContact CB-CD2 3.4Å; E369-L457 VanDerWaalsContact CB-CD2 3.4Å; E369-L457 HydrophobicContact CG-CD2 3.9Å; T453-L457 HydrophobicContact CG2-CD1 4.13Å; T453-L457 HydrophobicContact CG2-CG 4.47Å; T453-L457 VanDerWaalsContact O-CG 3.27Å; T453-L457 WeakPolarHBondContact O-CG 3.39Å; T453-L457 PolarHBondContact O-N 3.24Å; E454-L457 PolarHBondContact O-N 2.97Å; L457-A460 PolarHBondContact O-N 2.97Å; L457-K461 WeakPolarHBondContact O-CB 3.42Å; L457-K461 PolarHBondContact O-N 3.05Å
458S87.7Confident88.6Confident71 Ų7139 Ų3950%0.49720%0.203SC..Hα-helixtrans-61.7-44.3174.8-175.70000111.6E454 K461 A462E454-S458 VanDerWaalsContact O-CB 3.26Å; E454-S458 WeakPolarHBondContact O-CB 3.29Å; E454-S458 PolarHBondContact O-N 3.41Å; S458-K461 PolarHBondContact O-N 3.3Å; S458-A462 WeakPolarHBondContact O-CB 3.1Å; S458-A462 PolarHBondContact O-N 3.25Å
459A89.8Confident88.9Confident1 Ų136.1 Ų36.11%0.00820%0.197CC..Hα-helixtrans-65.4-41.4175.900000112.3G455 L456 A462 V463 Q500 L501 A504G455-A459 WeakPolarHBondContact O-CB 3.23Å; G455-A459 PolarHBondContact O-N 2.99Å; G455-A459 VanDerWaalsContact O-N 3.12Å; L456-A459 PolarHBondContact O-N 3.48Å; A459-A462 PolarHBondContact O-N 2.75Å; A459-V463 WeakPolarHBondContact O-CG2 3.43Å; A459-V463 PolarHBondContact O-N 3Å; A459-V463 VanDerWaalsContact O-N 3.09Å; A459-Q500 HydrophobicContact CB-CB 4.47Å; A459-Q500 HydrophobicContact CB-CG 3.96Å; A459-L501 HydrophobicContact CB-CB 4.24Å; A459-L501 HydrophobicContact CB-CD1 4.12Å; A459-A504 HydrophobicContact CB-CB 4.17Å
460A91.1Very high89.3Confident0 Ų034.8 Ų34.80%019%0.19CC..Hα-helixtrans-62.6-45.617700000111.8I370 M373 L456 L457 A462 V463 G464I370-A460 HydrophobicContact CD1-CB 3.86Å; M373-A460 HydrophobicContact CB-CB 4.3Å; M373-A460 HydrophobicContact CE-CB 3.88Å; M373-A460 HydrophobicContact CG-CB 4.45Å; M373-A460 WeakPolarHBondContact CG-O 3.13Å; M373-A460 WeakPolarHBondContact SD-CA 3.29Å; M373-A460 HydrophobicContact SD-CB 3.58Å; M373-A460 VanDerWaalsContact SD-CB 3.58Å; L456-A460 WeakPolarHBondContact O-CB 3.43Å; L456-A460 PolarHBondContact O-N 2.96Å; L457-A460 PolarHBondContact O-N 2.97Å; A460-A462 VanDerWaalsContact C-N 3.34Å; A460-A462 PolarHBondContact O-N 3.25Å; A460-V463 PolarHBondContact O-N 3.22Å; A460-G464 PolarHBondContact O-N 3.44Å; A460-G464 VanDerWaalsContact O-N 3.09Å
461K88.2Confident89.7Confident95 Ų9531.5 Ų31.541%0.41318%0.175SC..Hα-helixtrans-60.8-42.2175.9-169.4169.1-167.61500112E369 L457 S458 V463 G464 L465E369-K461 WeakPolarHBondContact OE1-CD 3.49Å; E369-K461 IonicContact OE1-NZ 2.69Å; L457-K461 WeakPolarHBondContact O-CB 3.42Å; L457-K461 PolarHBondContact O-N 3.05Å; S458-K461 PolarHBondContact O-N 3.3Å; K461-V463 VanDerWaalsContact C-N 3.35Å; K461-V463 PolarHBondContact O-N 3.37Å; K461-G464 PolarHBondContact O-N 2.91Å; K461-L465 HydrophobicContact CG-CD1 4.2Å; K461-L465 WeakPolarHBondContact O-CB 3.41Å; K461-L465 VanDerWaalsContact O-CG 3.29Å; K461-L465 WeakPolarHBondContact O-CG 3.46Å; K461-L465 PolarHBondContact O-N 3.48Å
462A88.4Confident90.2Very high26 Ų2631.9 Ų31.922%0.21518%0.18CC..Hα-helixtrans-60.1-43.5175.500000111.9S458 A459 A460 L465 H466S458-A462 WeakPolarHBondContact O-CB 3.1Å; S458-A462 PolarHBondContact O-N 3.25Å; A459-A462 PolarHBondContact O-N 2.75Å; A460-A462 VanDerWaalsContact C-N 3.34Å; A460-A462 PolarHBondContact O-N 3.25Å; A462-L465 PolarHBondContact O-N 2.63Å; A462-H466 WeakPolarHBondContact O-CB 3.4Å; A462-H466 PolarHBondContact O-CD2 3.16Å; A462-H466 PolarHBondContact O-N 3.02Å; A462-H466 PolarHBondContact O-ND1 2.92Å; A462-H466 VanDerWaalsContact O-ND1 3.13Å
463V92Very high90.4Very high4 Ų431.1 Ų31.12%0.02418%0.176CC..Hα-helixtrans-60.7-46.6176.9173.60000111.6M373 I377 V418 V422 A459 A460 K461 H466 A467 G497 T498 L501M373-V463 HydrophobicContact CG-CB 4.48Å; M373-V463 HydrophobicContact CG-CG1 4.45Å; M373-V463 HydrophobicContact SD-CB 4.08Å; M373-V463 HydrophobicContact SD-CG1 4.23Å; I377-V463 HydrophobicContact CD1-CG1 3.96Å; V418-V463 HydrophobicContact CG1-CG1 4.07Å; V422-V463 HydrophobicContact CG2-CG1 4.3Å; A459-V463 WeakPolarHBondContact O-CG2 3.43Å; A459-V463 PolarHBondContact O-N 3Å; A459-V463 VanDerWaalsContact O-N 3.09Å; A460-V463 PolarHBondContact O-N 3.22Å; K461-V463 VanDerWaalsContact C-N 3.35Å; K461-V463 PolarHBondContact O-N 3.37Å; V463-H466 PolarHBondContact O-N 3.09Å; V463-A467 PolarHBondContact O-N 3.48Å; V463-G497 VanDerWaalsContact CG2-C 3.47Å; V463-G497 WeakPolarHBondContact CG2-O 3.41Å; V463-T498 HydrophobicContact CG2-CG2 4.41Å; V463-L501 HydrophobicContact CG2-CB 4.33Å; V463-L501 HydrophobicContact CG2-CD2 4.34Å
464G90.5Very high90.6Very high6 Ų631.1 Ų31.16%0.06218%0.177CC..Hα-helixtrans-61.9-42.517700000113A460 K461 A467 N468A460-G464 PolarHBondContact O-N 3.44Å; A460-G464 VanDerWaalsContact O-N 3.09Å; K461-G464 PolarHBondContact O-N 2.91Å; G464-A467 PolarHBondContact O-N 3.44Å; G464-N468 PolarHBondContact O-N 2.85Å
465L89.4Confident91.1Very high104 Ų10430.7 Ų30.755%0.54518%0.176SC..Hα-helixtrans-63.4-43175.8-71.9172.1000112.3K461 A462 A467 N468 L469K461-L465 HydrophobicContact CG-CD1 4.2Å; K461-L465 WeakPolarHBondContact O-CB 3.41Å; K461-L465 VanDerWaalsContact O-CG 3.29Å; K461-L465 WeakPolarHBondContact O-CG 3.46Å; K461-L465 PolarHBondContact O-N 3.48Å; A462-L465 PolarHBondContact O-N 2.63Å; L465-A467 VanDerWaalsContact C-N 3.3Å; L465-A467 PolarHBondContact O-N 3.32Å; L465-N468 PolarHBondContact O-N 3.26Å; L465-L469 WeakPolarHBondContact O-CB 3.27Å; L465-L469 PolarHBondContact O-N 3.24Å
466H90.5Very high91.3Very high27 Ų2733.2 Ų33.213%0.12518%0.179CC..Hα-helixtrans-67.5-32.2178.8-59.1158000112.3A462 V463 L469 L470 M493 I494A462-H466 WeakPolarHBondContact O-CB 3.4Å; A462-H466 PolarHBondContact O-CD2 3.16Å; A462-H466 PolarHBondContact O-N 3.02Å; A462-H466 PolarHBondContact O-ND1 2.92Å; A462-H466 VanDerWaalsContact O-ND1 3.13Å; V463-H466 PolarHBondContact O-N 3.09Å; H466-L469 PolarHBondContact O-N 3.31Å; H466-L470 PolarHBondContact O-N 3.32Å; H466-M493 HydrophobicContact CB-CB 4.34Å; H466-M493 PolarHBondContact CE1-O 3.37Å; H466-M493 PolarHBondContact ND1-O 3.36Å; H466-M493 WeakPolarHBondContact NE2-CE 3.48Å; H466-I494 HydrophobicContact CB-CG1 3.77Å
467A94.3Very high91.4Very high2 Ų233.7 Ų33.72%0.01718%0.181CC..Hα-helixtrans-61.7-48.9172.500000110.9I377 A380 V463 G464 L465 L469 L470 V471I377-A467 HydrophobicContact CG1-CB 4.26Å; A380-A467 HydrophobicContact CB-CB 3.95Å; V463-A467 PolarHBondContact O-N 3.48Å; G464-A467 PolarHBondContact O-N 3.44Å; L465-A467 VanDerWaalsContact C-N 3.3Å; L465-A467 PolarHBondContact O-N 3.32Å; A467-L469 PolarHBondContact O-N 3.38Å; A467-L470 PolarHBondContact O-N 3.31Å; A467-V471 WeakPolarHBondContact O-CG2 3.31Å; A467-V471 PolarHBondContact O-N 2.98Å
468N92.9Very high91.4Very high45 Ų4533.1 Ų33.124%0.24118%0.179CC..Hα-helixtrans-61.5-42.9175.5-76.1-36.8000112.6G464 L465 L470 V471 D472G464-N468 PolarHBondContact O-N 2.85Å; L465-N468 PolarHBondContact O-N 3.26Å; N468-L470 VanDerWaalsContact C-N 3.28Å; N468-L470 PolarHBondContact O-N 3.19Å; N468-V471 WeakPolarHBondContact O-CB 3.38Å; N468-V471 PolarHBondContact O-N 3.09Å; N468-V471 VanDerWaalsContact O-N 3.09Å; N468-D472 PolarHBondContact O-N 2.9Å
469L92.6Very high91.3Very high72 Ų7231.8 Ų31.838%0.37717%0.169SC..Hα-helixtrans-60.2-36.9177.3-174.667.2000112.5L465 H466 A467 A473 A490L465-L469 WeakPolarHBondContact O-CB 3.27Å; L465-L469 PolarHBondContact O-N 3.24Å; H466-L469 PolarHBondContact O-N 3.31Å; A467-L469 PolarHBondContact O-N 3.38Å; L469-A473 WeakPolarHBondContact O-CB 3.31Å; L469-A473 PolarHBondContact O-N 3.43Å; L469-A490 HydrophobicContact CD2-CB 4.34Å; L469-A490 HydrophobicContact CG-CB 4.03Å
470L94.3Very high90.9Very high0 Ų037.7 Ų37.70%020%0.196CC..Hα-helixtrans-64.4-43.3174.6177.566.1000111.3C410 L413 I414 H466 A467 N468 A473 A474 L487 A490 S491 I494C410-L470 HydrophobicContact CB-CD2 4.36Å; L413-L470 HydrophobicContact CD2-CD2 3.98Å; I414-L470 HydrophobicContact CD1-CD2 3.81Å; I414-L470 HydrophobicContact CG1-CD2 3.83Å; H466-L470 PolarHBondContact O-N 3.32Å; A467-L470 PolarHBondContact O-N 3.31Å; N468-L470 VanDerWaalsContact C-N 3.28Å; N468-L470 PolarHBondContact O-N 3.19Å; L470-A473 PolarHBondContact O-N 3.34Å; L470-A474 VanDerWaalsContact O-CB 3.3Å; L470-A474 WeakPolarHBondContact O-CB 3.29Å; L470-A474 PolarHBondContact O-N 3.19Å; L470-L487 HydrophobicContact CD1-CD1 3.55Å; L470-A490 HydrophobicContact CB-CB 4.41Å; L470-A490 HydrophobicContact CD1-CB 4.29Å; L470-S491 WeakPolarHBondContact CD1-OG 3.43Å; L470-I494 HydrophobicContact CB-CD1 3.58Å; L470-I494 HydrophobicContact CD2-CD1 3.3Å; L470-I494 HydrophobicContact CG-CD1 3.97Å
471V94.1Very high90.4Very high5 Ų546.6 Ų46.63%0.0324%0.235CC..Hα-helixtrans-63.3-45177.3177.40000111.4A380 K383 I384 I387 I414 A467 N468 A473 A474 D475A380-V471 HydrophobicContact CB-CG2 3.61Å; A380-V471 WeakPolarHBondContact O-CG2 3.38Å; K383-V471 HydrophobicContact CB-CG1 3.47Å; K383-V471 VanDerWaalsContact CB-CG1 3.47Å; K383-V471 HydrophobicContact CD-CG1 4.01Å; K383-V471 HydrophobicContact CG-CG1 4.36Å; I384-V471 HydrophobicContact CD1-CG2 4.16Å; I384-V471 HydrophobicContact CG1-CG2 3.83Å; I387-V471 HydrophobicContact CD1-CG1 3.74Å; I414-V471 HydrophobicContact CD1-CG2 4.31Å; A467-V471 WeakPolarHBondContact O-CG2 3.31Å; A467-V471 PolarHBondContact O-N 2.98Å; N468-V471 WeakPolarHBondContact O-CB 3.38Å; N468-V471 PolarHBondContact O-N 3.09Å; N468-V471 VanDerWaalsContact O-N 3.09Å; V471-A473 VanDerWaalsContact C-N 3.35Å; V471-A473 PolarHBondContact O-N 3.32Å; V471-A474 PolarHBondContact O-N 2.94Å; V471-D475 PolarHBondContact O-N 2.87Å
472D93.2Very high90Very high87 Ų8743 Ų4347%0.46523%0.225SC..Hα-helixtrans-61.8-44.4178.1-69.5-18.4000111N468 A474 D475 K476N468-D472 PolarHBondContact O-N 2.9Å; D472-A474 VanDerWaalsContact C-N 3.34Å; D472-A474 PolarHBondContact O-N 2.85Å; D472-D475 PolarHBondContact O-N 2.87Å; D472-K476 WeakPolarHBondContact O-CB 3.33Å; D472-K476 VanDerWaalsContact O-CG 3.22Å; D472-K476 WeakPolarHBondContact O-CG 3.5Å; D472-K476 PolarHBondContact O-N 2.85Å
473A93.6Very high89.9Confident0 Ų049.1 Ų49.10%025%0.247CC..Hα-helixtrans-63.8-39.4175.800000111.9L469 L470 V471 K476 V477 E486 L487 A490L469-A473 WeakPolarHBondContact O-CB 3.31Å; L469-A473 PolarHBondContact O-N 3.43Å; L470-A473 PolarHBondContact O-N 3.34Å; V471-A473 VanDerWaalsContact C-N 3.35Å; V471-A473 PolarHBondContact O-N 3.32Å; A473-K476 PolarHBondContact O-N 3.14Å; A473-V477 WeakPolarHBondContact O-CG2 3.19Å; A473-V477 PolarHBondContact O-N 3.05Å; A473-E486 HydrophobicContact CB-CG 4.17Å; A473-L487 HydrophobicContact CB-CB 4.3Å; A473-L487 HydrophobicContact CB-CD1 4.11Å; A473-A490 HydrophobicContact CB-CB 3.97Å
474A93.6Very high89.7Confident1 Ų150.2 Ų50.21%0.00825%0.252CS..Hα-helixtrans-65.6-44.6177.200000112.2I387 L407 L470 V471 D472 K476 V477 V478 L487I387-A474 HydrophobicContact CD1-CB 4.49Å; L407-A474 HydrophobicContact CD2-CB 4Å; L470-A474 VanDerWaalsContact O-CB 3.3Å; L470-A474 WeakPolarHBondContact O-CB 3.29Å; L470-A474 PolarHBondContact O-N 3.19Å; V471-A474 PolarHBondContact O-N 2.94Å; D472-A474 VanDerWaalsContact C-N 3.34Å; D472-A474 PolarHBondContact O-N 2.85Å; A474-K476 PolarHBondContact O-N 3.18Å; A474-V477 PolarHBondContact O-N 2.97Å; A474-V478 VanDerWaalsContact O-CG2 3.29Å; A474-V478 WeakPolarHBondContact O-CG2 3.46Å; A474-V478 PolarHBondContact O-N 2.85Å; A474-L487 HydrophobicContact CB-CD1 3.98Å
475D93.4Very high89.6Confident53 Ų5354.3 Ų54.328%0.28327%0.27SS..Hα-helixtrans-63.4-42.7176.5-172.446.2000111.1I387 K390 V471 D472 V477 V478 C479I387-D475 HydrophobicContact CD1-CB 3.72Å; I387-D475 HydrophobicContact CG1-CB 4.03Å; K390-D475 IonicContact NZ-OD1 2.75Å; K390-D475 PolarHBondContact NZ-OD1 3.25Å; K390-D475 IonicContact NZ-OD2 3.51Å; V471-D475 PolarHBondContact O-N 2.87Å; D472-D475 PolarHBondContact O-N 2.87Å; D475-V477 PolarHBondContact O-N 3.46Å; D475-V478 PolarHBondContact O-N 3.24Å; D475-C479 VanDerWaalsContact O-CB 3.29Å; D475-C479 WeakPolarHBondContact O-CB 3.2Å; D475-C479 PolarHBondContact O-N 3.49Å; D475-C479 PolarHBondContact O-SG 3.25Å; D475-C479 PolarHBondContact OD1-SG 3.06Å
476K91.7Very high89.6Confident85 Ų8552.4 Ų52.437%0.3726%0.258SS..Hα-helixtrans-60.4-44.4176.8-71.3175.5-170.2178.30111.8D472 A473 A474 C479 Q480 K481 G482 E486D472-K476 WeakPolarHBondContact O-CB 3.33Å; D472-K476 VanDerWaalsContact O-CG 3.22Å; D472-K476 WeakPolarHBondContact O-CG 3.5Å; D472-K476 PolarHBondContact O-N 2.85Å; A473-K476 PolarHBondContact O-N 3.14Å; A474-K476 PolarHBondContact O-N 3.18Å; K476-C479 PolarHBondContact O-N 3.38Å; K476-Q480 PolarHBondContact O-N 3.07Å; K476-K481 PolarHBondContact O-N 3.44Å; K476-G482 PolarHBondContact O-N 3.18Å; K476-E486 IonicContact NZ-OE1 2.78Å; K476-E486 PolarHBondContact NZ-OE1 3.38Å; K476-E486 IonicContact NZ-OE2 3.34Å
477V90.4Very high89.6Confident9 Ų951.2 Ų51.26%0.05525%0.253CS..Hα-helixtrans-61.8-46.4177.2164.70000111.2A473 A474 D475 C479 Q480 L484 L487A473-V477 WeakPolarHBondContact O-CG2 3.19Å; A473-V477 PolarHBondContact O-N 3.05Å; A474-V477 PolarHBondContact O-N 2.97Å; D475-V477 PolarHBondContact O-N 3.46Å; V477-C479 VanDerWaalsContact C-N 3.3Å; V477-C479 PolarHBondContact O-N 3.44Å; V477-Q480 PolarHBondContact O-N 3.42Å; V477-Q480 VanDerWaalsContact O-N 3.11Å; V477-L484 HydrophobicContact CG1-CD2 3.51Å; V477-L484 HydrophobicContact CG2-CD2 4.18Å; V477-L487 HydrophobicContact CG2-CB 4.02Å; V477-L487 HydrophobicContact CG2-CD2 4.38Å
478V88.5Confident89.5Confident3 Ų352.8 Ų52.82%0.01826%0.26CS..Hα-helixtrans-66.5-33.2-179.7170.70000112.2I387 A391 N395 L407 A474 D475 Q480I387-V478 HydrophobicContact CG2-CB 3.99Å; I387-V478 HydrophobicContact CG2-CG1 4.12Å; I387-V478 HydrophobicContact CG2-CG2 3.68Å; A391-V478 HydrophobicContact CB-CG1 3.63Å; N395-V478 PolarHBondContact ND2-O 2.94Å; L407-V478 HydrophobicContact CD1-CG2 3.82Å; L407-V478 HydrophobicContact CD2-CG2 4.22Å; L407-V478 HydrophobicContact CG-CG2 4.3Å; A474-V478 VanDerWaalsContact O-CG2 3.29Å; A474-V478 WeakPolarHBondContact O-CG2 3.46Å; A474-V478 PolarHBondContact O-N 2.85Å; D475-V478 PolarHBondContact O-N 3.24Å; V478-Q480 VanDerWaalsContact C-N 3.26Å; V478-Q480 PolarHBondContact O-N 3.45Å
479C85.1Confident89.2Confident42 Ų4253.2 Ų53.228%0.28427%0.27SS..THydrogen-bonded Turntrans-823.1175.4-650000114.1K390 D475 K476 V477 K481K390-C479 WeakPolarHBondContact CE-SG 3.31Å; K390-C479 PolarHBondContact NZ-SG 3.06Å; D475-C479 VanDerWaalsContact O-CB 3.29Å; D475-C479 WeakPolarHBondContact O-CB 3.2Å; D475-C479 PolarHBondContact O-N 3.49Å; D475-C479 PolarHBondContact O-SG 3.25Å; D475-C479 PolarHBondContact OD1-SG 3.06Å; K476-C479 PolarHBondContact O-N 3.38Å; V477-C479 VanDerWaalsContact C-N 3.3Å; V477-C479 PolarHBondContact O-N 3.44Å; C479-K481 HydrophobicContact CB-CD 4.49Å; C479-K481 HydrophobicContact CB-CG 4.3Å; C479-K481 PolarHBondContact O-N 2.74Å; C479-K481 VanDerWaalsContact O-N 3.13Å
480Q80.3Confident89.2Confident126 Ų12649.9 Ų49.959%0.58925%0.253SS*.THydrogen-bonded Turntrans55.924-174-54.3-179.3600114.2R399 K476 V477 V478R399-Q480 VanDerWaalsContact CD-NE2 3.33Å; K476-Q480 PolarHBondContact O-N 3.07Å; V477-Q480 PolarHBondContact O-N 3.42Å; V477-Q480 VanDerWaalsContact O-N 3.11Å; V478-Q480 VanDerWaalsContact C-N 3.26Å; V478-Q480 PolarHBondContact O-N 3.45Å
481K81.6Confident89.2Confident186 Ų18649.9 Ų49.981%0.80925%0.253SS*.SBendtrans-100.5-13.7174.9-66.9-176.3-179.6-177.40112.6K476 C479K476-K481 PolarHBondContact O-N 3.44Å; C479-K481 HydrophobicContact CB-CD 4.49Å; C479-K481 HydrophobicContact CB-CG 4.3Å; C479-K481 PolarHBondContact O-N 2.74Å; C479-K481 VanDerWaalsContact O-N 3.13Å
482G79.8Confident89Confident21 Ų2155.2 Ų55.222%0.21628%0.275CS..SBendtrans-113.7160-17600000113K476K476-G482 PolarHBondContact O-N 3.18Å
483K86.3Confident88.7Confident153 Ų15355 Ų5567%0.66527%0.273SS*.  trans-92.1142.8173.9-64.1-179.1-177.8177.70109.7E485 E486K483-E485 PolarHBondContact O-N 3.02Å; K483-E486 VanDerWaalsContact O-CB 3.32Å; K483-E486 WeakPolarHBondContact O-CB 3.07Å; K483-E486 PolarHBondContact O-N 3.29Å
484L88.6Confident88.6Confident27 Ų2755.2 Ų55.214%0.14127%0.274CS..Hα-helixtrans-59.6-31.8174.6-71.5177.1000111.5I406 V477 E486 L487 M488 V537 K541I406-L484 HydrophobicContact CD1-CD2 4.33Å; V477-L484 HydrophobicContact CG1-CD2 3.51Å; V477-L484 HydrophobicContact CG2-CD2 4.18Å; L484-E486 VanDerWaalsContact C-N 3.28Å; L484-E486 PolarHBondContact O-N 3.45Å; L484-L487 WeakPolarHBondContact O-CB 3.49Å; L484-L487 PolarHBondContact O-N 3.4Å; L484-M488 WeakPolarHBondContact O-CG 3.33Å; L484-M488 PolarHBondContact O-N 3.37Å; L484-V537 HydrophobicContact CB-CG1 3.73Å; L484-V537 HydrophobicContact CD1-CG1 4.39Å; L484-V537 HydrophobicContact CD2-CG1 4.11Å; L484-V537 HydrophobicContact CG-CG1 4.28Å; L484-K541 HydrophobicContact CD1-CB 3.83Å; L484-K541 HydrophobicContact CD1-CG 4.21Å
485E87.7Confident88.5Confident93 Ų9355.4 Ų55.444%0.43528%0.275SS..Hα-helixtrans-64.7-30176.5-63.277.7-170.900112.8K483 M488 A489 K541K483-E485 PolarHBondContact O-N 3.02Å; E485-M488 PolarHBondContact O-N 3.5Å; E485-A489 WeakPolarHBondContact O-CB 3.25Å; E485-A489 PolarHBondContact O-N 3.35Å; E485-K541 IonicContact OE1-NZ 2.65Å; E485-K541 PolarHBondContact OE1-NZ 3.07Å
486E88.5Confident88.1Confident64 Ų6455.4 Ų55.430%0.29928%0.283SS..Hα-helixtrans-67-43.5174.6-171.4179.8173.500110.5A473 K476 K483 L484 M488 A489 A490A473-E486 HydrophobicContact CB-CG 4.17Å; K476-E486 IonicContact NZ-OE1 2.78Å; K476-E486 PolarHBondContact NZ-OE1 3.38Å; K476-E486 IonicContact NZ-OE2 3.34Å; K483-E486 VanDerWaalsContact O-CB 3.32Å; K483-E486 WeakPolarHBondContact O-CB 3.07Å; K483-E486 PolarHBondContact O-N 3.29Å; L484-E486 VanDerWaalsContact C-N 3.28Å; L484-E486 PolarHBondContact O-N 3.45Å; E486-M488 PolarHBondContact O-N 3.26Å; E486-A489 PolarHBondContact O-N 3.46Å; E486-A490 WeakPolarHBondContact O-CB 3.03Å; E486-A490 PolarHBondContact O-N 3.48Å
487L92Very high88Confident1 Ų151.4 Ų51.41%0.00527%0.266CS..Hα-helixtrans-63.5-41.1175.4-178.965.9000112I406 L470 A473 A474 V477 L484 A489 A490 S491 V537I406-L487 HydrophobicContact CG2-CD2 3.39Å; L470-L487 HydrophobicContact CD1-CD1 3.55Å; A473-L487 HydrophobicContact CB-CB 4.3Å; A473-L487 HydrophobicContact CB-CD1 4.11Å; A474-L487 HydrophobicContact CB-CD1 3.98Å; V477-L487 HydrophobicContact CG2-CB 4.02Å; V477-L487 HydrophobicContact CG2-CD2 4.38Å; L484-L487 WeakPolarHBondContact O-CB 3.49Å; L484-L487 PolarHBondContact O-N 3.4Å; L487-A489 VanDerWaalsContact C-N 3.33Å; L487-A489 PolarHBondContact O-N 3.25Å; L487-A490 PolarHBondContact O-N 2.87Å; L487-S491 WeakPolarHBondContact O-CB 3.45Å; L487-S491 PolarHBondContact O-N 3.37Å; L487-S491 PolarHBondContact O-OG 3.19Å; L487-V537 HydrophobicContact CD2-CG2 3.85Å; L487-V537 HydrophobicContact CG-CG2 4.44Å
488M90.7Very high88Confident36 Ų3651 Ų5118%0.17726%0.263CS..Hα-helixtrans-61.4-41.5173.9-67.7177.982.700111.9L484 E485 E486 K492 L534 V537 K538L484-M488 WeakPolarHBondContact O-CG 3.33Å; L484-M488 PolarHBondContact O-N 3.37Å; E485-M488 PolarHBondContact O-N 3.5Å; E486-M488 PolarHBondContact O-N 3.26Å; M488-K492 WeakPolarHBondContact O-CG 3.31Å; M488-K492 PolarHBondContact O-N 2.93Å; M488-L534 HydrophobicContact CB-CD2 3.48Å; M488-L534 VanDerWaalsContact CB-CD2 3.48Å; M488-L534 HydrophobicContact CE-CB 4.29Å; M488-L534 HydrophobicContact CE-CD2 3.83Å; M488-L534 HydrophobicContact CG-CD2 3.67Å; M488-V537 HydrophobicContact CG-CB 4.1Å; M488-V537 HydrophobicContact CG-CG1 3.64Å; M488-V537 HydrophobicContact CG-CG2 4.49Å; M488-V537 HydrophobicContact SD-CG1 3.85Å; M488-K538 HydrophobicContact CE-CG 4.27Å
489A88.3Confident88.1Confident53 Ų5353.3 Ų53.344%0.43828%0.277SS..Hα-helixtrans-66.9-46.3177.600000111.7E485 E486 L487 S491 K492 M493E485-A489 WeakPolarHBondContact O-CB 3.25Å; E485-A489 PolarHBondContact O-N 3.35Å; E486-A489 PolarHBondContact O-N 3.46Å; L487-A489 VanDerWaalsContact C-N 3.33Å; L487-A489 PolarHBondContact O-N 3.25Å; A489-S491 VanDerWaalsContact C-N 3.32Å; A489-S491 PolarHBondContact O-N 3.41Å; A489-K492 WeakPolarHBondContact O-CB 3.49Å; A489-K492 PolarHBondContact O-N 2.97Å; A489-K492 VanDerWaalsContact O-N 3.15Å; A489-M493 WeakPolarHBondContact O-CG 3.45Å; A489-M493 PolarHBondContact O-N 3.33Å
490A91.6Very high88.2Confident2 Ų255.7 Ų55.72%0.01728%0.284CS..Hα-helixtrans-60-41.5177.400000112.1L469 L470 A473 E486 L487 K492 M493 I494L469-A490 HydrophobicContact CD2-CB 4.34Å; L469-A490 HydrophobicContact CG-CB 4.03Å; L470-A490 HydrophobicContact CB-CB 4.41Å; L470-A490 HydrophobicContact CD1-CB 4.29Å; A473-A490 HydrophobicContact CB-CB 3.97Å; E486-A490 WeakPolarHBondContact O-CB 3.03Å; E486-A490 PolarHBondContact O-N 3.48Å; L487-A490 PolarHBondContact O-N 2.87Å; A490-K492 VanDerWaalsContact C-N 3.32Å; A490-K492 PolarHBondContact O-N 3.47Å; A490-M493 WeakPolarHBondContact O-CB 3.4Å; A490-M493 PolarHBondContact O-N 3.25Å; A490-M493 VanDerWaalsContact O-N 3.12Å; A490-I494 PolarHBondContact O-N 3.45Å
491S93.5Very high88.7Confident0 Ų049.7 Ų49.70%026%0.256CS..Hα-helixtrans-59.4-41.5175.2-57.90000112.2L470 L487 A489 M493 I494 V530 V533L470-S491 WeakPolarHBondContact CD1-OG 3.43Å; L487-S491 WeakPolarHBondContact O-CB 3.45Å; L487-S491 PolarHBondContact O-N 3.37Å; L487-S491 PolarHBondContact O-OG 3.19Å; A489-S491 VanDerWaalsContact C-N 3.32Å; A489-S491 PolarHBondContact O-N 3.41Å; S491-M493 VanDerWaalsContact C-N 3.34Å; S491-M493 PolarHBondContact O-N 2.97Å; S491-I494 PolarHBondContact O-N 3.19Å; S491-V530 VanDerWaalsContact O-CG2 3.24Å; S491-V530 WeakPolarHBondContact O-CG2 3.08Å; S491-V533 WeakPolarHBondContact OG-CG1 3.22Å
492K91.1Very high89.2Confident117 Ų11741.4 Ų41.451%0.50922%0.221SC..Hα-helixtrans-67.1-33.8175.9-70.6172.2-177.6175.90112.6M488 A489 A490 I494 A495 A496 V530 L534M488-K492 WeakPolarHBondContact O-CG 3.31Å; M488-K492 PolarHBondContact O-N 2.93Å; A489-K492 WeakPolarHBondContact O-CB 3.49Å; A489-K492 PolarHBondContact O-N 2.97Å; A489-K492 VanDerWaalsContact O-N 3.15Å; A490-K492 VanDerWaalsContact C-N 3.32Å; A490-K492 PolarHBondContact O-N 3.47Å; K492-I494 VanDerWaalsContact C-N 3.31Å; K492-I494 PolarHBondContact O-N 3.09Å; K492-A495 PolarHBondContact O-N 3.16Å; K492-A496 PolarHBondContact O-N 3.42Å; K492-V530 HydrophobicContact CG-CG1 4.37Å; K492-L534 HydrophobicContact CG-CD1 4.25Å
493M86.6Confident89.6Confident84 Ų8442.9 Ų42.941%0.41423%0.226SC..Hα-helixtrans-63.9-36.4176.7-69.2-65.2-75.400111.8H466 A489 A490 S491 A495 A496 G497H466-M493 HydrophobicContact CB-CB 4.34Å; H466-M493 PolarHBondContact CE1-O 3.37Å; H466-M493 PolarHBondContact ND1-O 3.36Å; H466-M493 WeakPolarHBondContact NE2-CE 3.48Å; A489-M493 WeakPolarHBondContact O-CG 3.45Å; A489-M493 PolarHBondContact O-N 3.33Å; A490-M493 WeakPolarHBondContact O-CB 3.4Å; A490-M493 PolarHBondContact O-N 3.25Å; A490-M493 VanDerWaalsContact O-N 3.12Å; S491-M493 VanDerWaalsContact C-N 3.34Å; S491-M493 PolarHBondContact O-N 2.97Å; M493-A495 PolarHBondContact O-N 3.49Å; M493-A496 PolarHBondContact O-N 3.19Å; M493-G497 PolarHBondContact O-N 3.26Å
494I91.2Very high89.8Confident3 Ų335.9 Ų35.92%0.01520%0.197CC..Hα-helixtrans-59.6-46.1173-70.5176.5000111.4L413 V418 H466 L470 A490 S491 K492 A496 G497 T498 V526L413-I494 HydrophobicContact CD1-CG2 4.36Å; L413-I494 HydrophobicContact CD2-CD1 4.27Å; V418-I494 HydrophobicContact CG2-CG2 3.52Å; H466-I494 HydrophobicContact CB-CG1 3.77Å; L470-I494 HydrophobicContact CB-CD1 3.58Å; L470-I494 HydrophobicContact CD2-CD1 3.3Å; L470-I494 HydrophobicContact CG-CD1 3.97Å; A490-I494 PolarHBondContact O-N 3.45Å; S491-I494 PolarHBondContact O-N 3.19Å; K492-I494 VanDerWaalsContact C-N 3.31Å; K492-I494 PolarHBondContact O-N 3.09Å; I494-A496 VanDerWaalsContact C-N 3.32Å; I494-A496 PolarHBondContact O-N 3.44Å; I494-G497 PolarHBondContact O-N 2.77Å; I494-T498 HydrophobicContact CG2-CG2 4.48Å; I494-T498 WeakPolarHBondContact O-CG2 3.26Å; I494-T498 PolarHBondContact O-N 3.05Å; I494-T498 PolarHBondContact O-OG1 3.15Å; I494-T498 VanDerWaalsContact O-OG1 3.05Å; I494-V526 HydrophobicContact CG2-CG1 4.4Å
495A90.9Very high89.9Confident5 Ų534.6 Ų34.64%0.04119%0.19CC..Hα-helixtrans-60.2-42.317500000111.6F98 K492 M493 T498 V499 V530F98-A495 HydrophobicContact CE1-CB 4.17Å; K492-A495 PolarHBondContact O-N 3.16Å; M493-A495 PolarHBondContact O-N 3.49Å; A495-T498 WeakPolarHBondContact CA-OG1 3.34Å; A495-T498 PolarHBondContact O-N 3.33Å; A495-T498 PolarHBondContact O-OG1 2.91Å; A495-V499 VanDerWaalsContact O-CG2 3.27Å; A495-V499 WeakPolarHBondContact O-CG2 3.39Å; A495-V499 PolarHBondContact O-N 2.93Å; A495-V530 HydrophobicContact CB-CG2 4.06Å
496A86.8Confident90.1Very high54 Ų5436.8 Ų36.845%0.44619%0.194SC..Hα-helixtrans-63.2-44.7176.900000112.6K492 M493 I494 V499 Q500K492-A496 PolarHBondContact O-N 3.42Å; M493-A496 PolarHBondContact O-N 3.19Å; I494-A496 VanDerWaalsContact C-N 3.32Å; I494-A496 PolarHBondContact O-N 3.44Å; A496-V499 PolarHBondContact O-N 3.1Å; A496-Q500 PolarHBondContact O-N 2.98Å
497G88.7Confident90.2Very high1 Ų138.5 Ų38.51%0.0121%0.209CC..Hα-helixtrans-62.6-43.6177.700000112.7V463 M493 I494 Q500 L501V463-G497 VanDerWaalsContact CG2-C 3.47Å; V463-G497 WeakPolarHBondContact CG2-O 3.41Å; M493-G497 PolarHBondContact O-N 3.26Å; I494-G497 PolarHBondContact O-N 2.77Å; G497-Q500 WeakPolarHBondContact O-CB 3.44Å; G497-Q500 PolarHBondContact O-N 3.06Å; G497-L501 PolarHBondContact O-N 3.21Å
498T90.7Very high90.1Very high0 Ų041.6 Ų41.60%022%0.222CC..Hα-helixtrans-66.8-38.1177.754.20000112.4V418 L421 V463 I494 A495 Q500 L501 V502 V526V418-T498 HydrophobicContact CG2-CG2 4.38Å; L421-T498 HydrophobicContact CD1-CG2 4.09Å; L421-T498 HydrophobicContact CD2-CG2 4.23Å; V463-T498 HydrophobicContact CG2-CG2 4.41Å; I494-T498 HydrophobicContact CG2-CG2 4.48Å; I494-T498 WeakPolarHBondContact O-CG2 3.26Å; I494-T498 PolarHBondContact O-N 3.05Å; I494-T498 PolarHBondContact O-OG1 3.15Å; I494-T498 VanDerWaalsContact O-OG1 3.05Å; A495-T498 WeakPolarHBondContact CA-OG1 3.34Å; A495-T498 PolarHBondContact O-N 3.33Å; A495-T498 PolarHBondContact O-OG1 2.91Å; T498-Q500 VanDerWaalsContact C-N 3.34Å; T498-L501 WeakPolarHBondContact O-CB 3.36Å; T498-L501 PolarHBondContact O-N 3.39Å; T498-V502 WeakPolarHBondContact O-CG2 3.45Å; T498-V502 PolarHBondContact O-N 2.88Å; T498-V526 HydrophobicContact CG2-CG1 4.21Å
499V90.1Very high90.1Very high51 Ų5140.6 Ų40.631%0.30922%0.219SC..Hα-helixtrans-61.6-42.9171.7169.90000110.9F98 A495 A496 L501 V502 V503F98-V499 HydrophobicContact CE1-CG2 4.41Å; F98-V499 HydrophobicContact CZ-CG2 3.93Å; A495-V499 VanDerWaalsContact O-CG2 3.27Å; A495-V499 WeakPolarHBondContact O-CG2 3.39Å; A495-V499 PolarHBondContact O-N 2.93Å; A496-V499 PolarHBondContact O-N 3.1Å; V499-L501 VanDerWaalsContact C-N 3.29Å; V499-L501 PolarHBondContact O-N 2.91Å; V499-V502 PolarHBondContact O-N 3.4Å; V499-V503 HydrophobicContact CG1-CG2 4.31Å; V499-V503 WeakPolarHBondContact O-CG2 3.29Å; V499-V503 PolarHBondContact O-N 2.85Å
500Q87.3Confident90.1Very high92 Ų9241.5 Ų41.543%0.4322%0.217SC..Hα-helixtrans-60.3-40.2176.5-172.464.911.500111.6A459 A496 G497 T498 V503 A504A459-Q500 HydrophobicContact CB-CB 4.47Å; A459-Q500 HydrophobicContact CB-CG 3.96Å; A496-Q500 PolarHBondContact O-N 2.98Å; G497-Q500 WeakPolarHBondContact O-CB 3.44Å; G497-Q500 PolarHBondContact O-N 3.06Å; T498-Q500 VanDerWaalsContact C-N 3.34Å; Q500-V503 PolarHBondContact O-N 3.28Å; Q500-A504 WeakPolarHBondContact O-CB 3.44Å; Q500-A504 PolarHBondContact O-N 3.5Å
501L90.5Very high89.9Confident0 Ų052.8 Ų52.80%026%0.259CS..Hα-helixtrans-63.6-39.9174.8-17560.1000112.4M373 L421 V422 A425 A459 V463 G497 T498 V499 S505M373-L501 HydrophobicContact SD-CD2 4.34Å; L421-L501 HydrophobicContact CD2-CD2 3.96Å; V422-L501 HydrophobicContact CG2-CD2 4.25Å; A425-L501 HydrophobicContact CB-CD2 4Å; A425-L501 HydrophobicContact CB-CG 4.21Å; A459-L501 HydrophobicContact CB-CB 4.24Å; A459-L501 HydrophobicContact CB-CD1 4.12Å; V463-L501 HydrophobicContact CG2-CB 4.33Å; V463-L501 HydrophobicContact CG2-CD2 4.34Å; G497-L501 PolarHBondContact O-N 3.21Å; T498-L501 WeakPolarHBondContact O-CB 3.36Å; T498-L501 PolarHBondContact O-N 3.39Å; V499-L501 VanDerWaalsContact C-N 3.29Å; V499-L501 PolarHBondContact O-N 2.91Å; L501-S505 VanDerWaalsContact O-CB 3.32Å; L501-S505 WeakPolarHBondContact O-CB 3.45Å; L501-S505 PolarHBondContact O-N 3.11Å; L501-S505 PolarHBondContact O-OG 3.49Å
502V91.9Very high89.7Confident13 Ų1357 Ų578%0.07929%0.289CS..Hα-helixtrans-64.6-43.6173.3178.60000111.1T498 V499 S505 R506 L519T498-V502 WeakPolarHBondContact O-CG2 3.45Å; T498-V502 PolarHBondContact O-N 2.88Å; V499-V502 PolarHBondContact O-N 3.4Å; V502-S505 PolarHBondContact O-N 3.31Å; V502-R506 VanDerWaalsContact O-CB 3.29Å; V502-R506 WeakPolarHBondContact O-CB 3.4Å; V502-R506 PolarHBondContact O-N 3.35Å; V502-L519 HydrophobicContact CB-CG 4.5Å; V502-L519 HydrophobicContact CG1-CD2 4.47Å; V502-L519 HydrophobicContact CG1-CG 4.39Å; V502-L519 HydrophobicContact CG2-CD1 4.09Å; V502-L519 HydrophobicContact CG2-CD2 4.24Å; V502-L519 HydrophobicContact CG2-CG 3.78Å
503V89.6Confident89.7Confident51 Ų5151.9 Ų51.931%0.30927%0.268SS..Hα-helixtrans-62-46.5178.7170.80000110.9V499 Q500 R506V499-V503 HydrophobicContact CG1-CG2 4.31Å; V499-V503 WeakPolarHBondContact O-CG2 3.29Å; V499-V503 PolarHBondContact O-N 2.85Å; Q500-V503 PolarHBondContact O-N 3.28Å; V503-R506 PolarHBondContact O-N 2.89Å
504A89.4Confident90.1Very high7 Ų754.5 Ų54.56%0.05828%0.283CS..Hα-helixtrans-64.1-42.3177.800000111.9W452 L456 A459 Q500 R506 V507W452-A504 PolarHBondContact NE1-O 2.96Å; L456-A504 HydrophobicContact CD2-CB 3.8Å; L456-A504 HydrophobicContact CG-CB 4.47Å; A459-A504 HydrophobicContact CB-CB 4.17Å; Q500-A504 WeakPolarHBondContact O-CB 3.44Å; Q500-A504 PolarHBondContact O-N 3.5Å; A504-R506 PolarHBondContact O-N 2.93Å; A504-V507 PolarHBondContact O-N 2.65Å
505S91.5Very high90.3Very high0 Ų056 Ų560%029%0.291CS..Hα-helixtrans-66.5-36.1178.1-56.60000112.6Q429 L501 V502 V507 A509Q429-S505 PolarHBondContact NE2-OG 3.04Å; L501-S505 VanDerWaalsContact O-CB 3.32Å; L501-S505 WeakPolarHBondContact O-CB 3.45Å; L501-S505 PolarHBondContact O-N 3.11Å; L501-S505 PolarHBondContact O-OG 3.49Å; V502-S505 PolarHBondContact O-N 3.31Å; S505-V507 VanDerWaalsContact C-N 3.25Å; S505-V507 PolarHBondContact O-N 3.33Å; S505-A509 PolarHBondContact O-N 3.29Å
506R91.7Very high90.4Very high138 Ų13856.4 Ų56.452%0.52129%0.293SS..Hα-helixtrans-64.4-24.3-179.9-176.1179.663.8-169.4-4113.9V502 V503 A504 K508 A509 L516V502-R506 VanDerWaalsContact O-CB 3.29Å; V502-R506 WeakPolarHBondContact O-CB 3.4Å; V502-R506 PolarHBondContact O-N 3.35Å; V503-R506 PolarHBondContact O-N 2.89Å; A504-R506 PolarHBondContact O-N 2.93Å; R506-K508 PolarHBondContact O-N 3.49Å; R506-A509 PolarHBondContact O-N 2.85Å; R506-L516 HydrophobicContact CB-CD1 4.08Å; R506-L516 HydrophobicContact CG-CD1 4.23Å; R506-L516 HydrophobicContact CG-CD2 4.4Å
507V91Very high90.8Very high100 Ų10056.8 Ų56.861%0.60630%0.296SS*.THydrogen-bonded Turntrans-57.2-36.4-174.6176.10000112.4A504 S505A504-V507 PolarHBondContact O-N 2.65Å; S505-V507 VanDerWaalsContact C-N 3.25Å; S505-V507 PolarHBondContact O-N 3.33Å
508K90.1Very high91.1Very high67 Ų6760.2 Ų60.229%0.29131%0.312SS..THydrogen-bonded Turntrans-114.7-4.6-179.3-67.1-70.1-167.7164.80114.2I432 Q436 N449 W452 R506I432-K508 HydrophobicContact CD1-CB 4.31Å; I432-K508 HydrophobicContact CG2-CB 3.7Å; Q436-K508 PolarHBondContact NE2-O 3.19Å; N449-K508 WeakPolarHBondContact OD1-CE 3.28Å; N449-K508 PolarHBondContact OD1-NZ 3.27Å; W452-K508 HydrophobicContact CB-CG 4.44Å; W452-K508 HydrophobicContact CD2-CB 4.22Å; W452-K508 HydrophobicContact CD2-CG 3.61Å; W452-K508 HydrophobicContact CE3-CG 4.3Å; W452-K508 HydrophobicContact CG-CG 3.66Å; W452-K508 HydrophobicContact CZ2-CB 3.85Å; W452-K508 HydrophobicContact CZ2-CG 4.19Å; R506-K508 PolarHBondContact O-N 3.49Å
509A89.7Confident91.3Very high14 Ų1460.2 Ų60.212%0.11631%0.312CS..SBendtrans-69.3143.6176.600000112.1L428 I432 S505 R506 L516L428-A509 HydrophobicContact CD1-CB 4.03Å; L428-A509 HydrophobicContact CD2-CB 4.22Å; L428-A509 HydrophobicContact CG-CB 4.42Å; I432-A509 HydrophobicContact CD1-CB 3.94Å; I432-A509 HydrophobicContact CG1-CB 4.35Å; S505-A509 PolarHBondContact O-N 3.29Å; R506-A509 PolarHBondContact O-N 2.85Å; A509-L516 HydrophobicContact CB-CB 4.36Å; A509-L516 HydrophobicContact CB-CD1 4Å; A509-L516 HydrophobicContact CB-CD2 3.92Å; A509-L516 HydrophobicContact CB-CG 4.31Å
510D89.3Confident91.4Very high73 Ų7360 Ų6039%0.3931%0.312SS..  trans-67.5141.4166.5-175.926.1000110.3S512 S513 L516D510-S512 PolarHBondContact O-N 3.1Å; D510-S512 PolarHBondContact OD1-OG 3.14Å; D510-S512 PolarHBondContact OD2-OG 2.84Å; D510-S513 VanDerWaalsContact O-CB 3.27Å; D510-S513 WeakPolarHBondContact O-CB 3.46Å; D510-S513 PolarHBondContact O-N 3.17Å; D510-S513 VanDerWaalsContact O-N 3.16Å; D510-L516 WeakPolarHBondContact O-CD2 3.42Å
511R87.5Confident91.7Very high238 Ų23860.6 Ų60.690%0.89832%0.315SS*.THydrogen-bonded Turntrans-69.2-23.9-178.1-65.5-176.1-179-176.71.1112.6
512S88.3Confident91.8Very high90 Ų9063.2 Ų63.263%0.62933%0.325SS*.THydrogen-bonded Turntrans-86.9-0.9175.310.60000113.9D510 D514D510-S512 PolarHBondContact O-N 3.1Å; D510-S512 PolarHBondContact OD1-OG 3.14Å; D510-S512 PolarHBondContact OD2-OG 2.84Å; S512-D514 PolarHBondContact O-N 2.86Å
513S91.8Very high91.8Very high9 Ų963.2 Ų63.26%0.06333%0.325CS..  trans-65.3124.3-178.4173.50000111.6E431 D510 L515 L516 A517E431-S513 WeakPolarHBondContact OE1-CB 3.2Å; E431-S513 PolarHBondContact OE1-OG 3.34Å; D510-S513 VanDerWaalsContact O-CB 3.27Å; D510-S513 WeakPolarHBondContact O-CB 3.46Å; D510-S513 PolarHBondContact O-N 3.17Å; D510-S513 VanDerWaalsContact O-N 3.16Å; S513-L515 PolarHBondContact O-N 2.92Å; S513-L515 PolarHBondContact OG-N 3.41Å; S513-L516 PolarHBondContact O-N 2.97Å; S513-L516 VanDerWaalsContact O-N 3.17Å; S513-L516 PolarHBondContact OG-N 2.99Å; S513-A517 PolarHBondContact O-N 2.95Å; S513-A517 VanDerWaalsContact O-N 3.13Å
514D94.6Very high92Very high138 Ų13866.7 Ų66.774%0.73834%0.336SS*.Hα-helixtrans-61.2-35.4173.2-68.2-34.1000111.1S512 A517 E518S512-D514 PolarHBondContact O-N 2.86Å; D514-A517 PolarHBondContact O-N 2.69Å; D514-E518 WeakPolarHBondContact O-CB 3.34Å; D514-E518 PolarHBondContact O-N 3.27Å
515L94.6Very high92.2Very high34 Ų3468.3 Ų68.318%0.17835%0.345CS..Hα-helixtrans-66.6-35.8176-69.5178.2000112K427 L428 E431 S513 E518 L519K427-L515 HydrophobicContact CB-CD1 4.01Å; K427-L515 HydrophobicContact CB-CD2 4.26Å; L428-L515 HydrophobicContact CB-CB 4.15Å; L428-L515 HydrophobicContact CD1-CB 3.89Å; E431-L515 HydrophobicContact CB-CD1 4.04Å; E431-L515 WeakPolarHBondContact OE2-CD1 3.33Å; S513-L515 PolarHBondContact O-N 2.92Å; S513-L515 PolarHBondContact OG-N 3.41Å; L515-E518 PolarHBondContact O-N 3.36Å; L515-L519 VanDerWaalsContact O-CB 3.22Å; L515-L519 WeakPolarHBondContact O-CB 3.25Å; L515-L519 PolarHBondContact O-N 2.98Å
516L93.6Very high92.3Very high15 Ų1568.3 Ų68.38%0.07935%0.345CS..Hα-helixtrans-67.5-38.8174.3-179.965.9000111.5L428 R506 A509 D510 S513 S520L428-L516 HydrophobicContact CD1-CB 4.25Å; L428-L516 HydrophobicContact CD2-CB 4.29Å; L428-L516 HydrophobicContact CD2-CD1 3.94Å; R506-L516 HydrophobicContact CB-CD1 4.08Å; R506-L516 HydrophobicContact CG-CD1 4.23Å; R506-L516 HydrophobicContact CG-CD2 4.4Å; A509-L516 HydrophobicContact CB-CB 4.36Å; A509-L516 HydrophobicContact CB-CD1 4Å; A509-L516 HydrophobicContact CB-CD2 3.92Å; A509-L516 HydrophobicContact CB-CG 4.31Å; D510-L516 WeakPolarHBondContact O-CD2 3.42Å; S513-L516 PolarHBondContact O-N 2.97Å; S513-L516 VanDerWaalsContact O-N 3.17Å; S513-L516 PolarHBondContact OG-N 2.99Å; L516-S520 WeakPolarHBondContact O-CB 3.3Å; L516-S520 PolarHBondContact O-N 3.34Å; L516-S520 PolarHBondContact O-OG 2.67Å
517A94Very high92.4Very high61 Ų6162.5 Ų62.550%0.50433%0.326SS..Hα-helixtrans-65.3-44.7174.800000111.2S513 D514 S520 Q521S513-A517 PolarHBondContact O-N 2.95Å; S513-A517 VanDerWaalsContact O-N 3.13Å; D514-A517 PolarHBondContact O-N 2.69Å; A517-S520 PolarHBondContact O-N 2.89Å; A517-Q521 WeakPolarHBondContact O-CB 3.47Å; A517-Q521 PolarHBondContact O-N 3.41Å
518E95.5Very high92.5Very high74 Ų7461.7 Ų61.735%0.34633%0.325SS..Hα-helixtrans-61.2-47.2174.5-169.6-172.4159.700111.3D514 L515 S520 Q521 R522D514-E518 WeakPolarHBondContact O-CB 3.34Å; D514-E518 PolarHBondContact O-N 3.27Å; L515-E518 PolarHBondContact O-N 3.36Å; E518-S520 VanDerWaalsContact C-N 3.31Å; E518-S520 PolarHBondContact O-N 3.35Å; E518-Q521 CarbonylContact O-C 3.58Å; E518-Q521 WeakPolarHBondContact O-CB 3.45Å; E518-Q521 PolarHBondContact O-N 3.38Å; E518-Q521 VanDerWaalsContact O-N 3.09Å; E518-R522 HydrophobicContact CG-CG 4.47Å; E518-R522 WeakPolarHBondContact O-CG 3.47Å; E518-R522 PolarHBondContact O-N 3.22Å; E518-R522 IonicContact OE1-CZ 2.76Å; E518-R522 VanDerWaalsContact OE1-CZ 3.22Å; E518-R522 IonicContact OE1-NE 3.67Å; E518-R522 PolarHBondContact OE1-NE 2.89Å; E518-R522 IonicContact OE1-NH2 3.54Å; E518-R522 PolarHBondContact OE1-NH2 3Å
519L94.8Very high92.6Very high0 Ų059.8 Ų59.80%032%0.319CS..Hα-helixtrans-59.8-42.7178.6-179.262.8000111.7L421 C424 A425 L428 V502 L515 Q521 R522 S523L421-L519 HydrophobicContact CD2-CD1 3.97Å; L421-L519 HydrophobicContact CG-CD1 3.89Å; C424-L519 HydrophobicContact CB-CD1 4.37Å; A425-L519 HydrophobicContact CB-CD1 3.93Å; A425-L519 HydrophobicContact CB-CD2 4.33Å; L428-L519 HydrophobicContact CD2-CD2 3.55Å; V502-L519 HydrophobicContact CB-CG 4.5Å; V502-L519 HydrophobicContact CG1-CD2 4.47Å; V502-L519 HydrophobicContact CG1-CG 4.39Å; V502-L519 HydrophobicContact CG2-CD1 4.09Å; V502-L519 HydrophobicContact CG2-CD2 4.24Å; V502-L519 HydrophobicContact CG2-CG 3.78Å; L515-L519 VanDerWaalsContact O-CB 3.22Å; L515-L519 WeakPolarHBondContact O-CB 3.25Å; L515-L519 PolarHBondContact O-N 2.98Å; L519-Q521 VanDerWaalsContact C-N 3.31Å; L519-Q521 PolarHBondContact O-N 2.82Å; L519-R522 PolarHBondContact O-N 3.41Å; L519-S523 PolarHBondContact O-N 3.43Å
520S92.7Very high92.8Very high45 Ų4559.5 Ų59.532%0.31532%0.316SS..Hα-helixtrans-64.8-36.7176.1-60.80000112L516 A517 E518 K524L516-S520 WeakPolarHBondContact O-CB 3.3Å; L516-S520 PolarHBondContact O-N 3.34Å; L516-S520 PolarHBondContact O-OG 2.67Å; A517-S520 PolarHBondContact O-N 2.89Å; E518-S520 VanDerWaalsContact C-N 3.31Å; E518-S520 PolarHBondContact O-N 3.35Å; S520-K524 PolarHBondContact O-N 3.43Å
521Q93.2Very high92.9Very high105 Ų10558.5 Ų58.549%0.49132%0.318SS..Hα-helixtrans-70.3-41.7175.6-174.66017.400111.7A517 E518 L519 S523 K524 T525A517-Q521 WeakPolarHBondContact O-CB 3.47Å; A517-Q521 PolarHBondContact O-N 3.41Å; E518-Q521 CarbonylContact O-C 3.58Å; E518-Q521 WeakPolarHBondContact O-CB 3.45Å; E518-Q521 PolarHBondContact O-N 3.38Å; E518-Q521 VanDerWaalsContact O-N 3.09Å; L519-Q521 VanDerWaalsContact C-N 3.31Å; L519-Q521 PolarHBondContact O-N 2.82Å; Q521-S523 VanDerWaalsContact C-N 3.31Å; Q521-S523 PolarHBondContact O-N 3.32Å; Q521-K524 WeakPolarHBondContact O-CB 3.4Å; Q521-K524 PolarHBondContact O-N 3.33Å; Q521-T525 PolarHBondContact O-N 3.39Å
522R93.3Very high93.2Very high56 Ų5649.7 Ų49.721%0.21130%0.296CS..Hα-helixtrans-62.4-36.1175.3-72-174-179.9-71.2-0.4112.7R420 L421 E518 L519 K524 T525 V526R420-R522 VanDerWaalsContact CB-NH1 3.26Å; L421-R522 HydrophobicContact CB-CB 4.21Å; L421-R522 HydrophobicContact CD1-CB 4.26Å; L421-R522 HydrophobicContact CG-CB 4.25Å; E518-R522 HydrophobicContact CG-CG 4.47Å; E518-R522 WeakPolarHBondContact O-CG 3.47Å; E518-R522 PolarHBondContact O-N 3.22Å; E518-R522 IonicContact OE1-CZ 2.76Å; E518-R522 VanDerWaalsContact OE1-CZ 3.22Å; E518-R522 IonicContact OE1-NE 3.67Å; E518-R522 PolarHBondContact OE1-NE 2.89Å; E518-R522 IonicContact OE1-NH2 3.54Å; E518-R522 PolarHBondContact OE1-NH2 3Å; L519-R522 PolarHBondContact O-N 3.41Å; R522-K524 VanDerWaalsContact C-N 3.26Å; R522-K524 PolarHBondContact O-N 3.49Å; R522-T525 VanDerWaalsContact CA-OG1 3.31Å; R522-T525 WeakPolarHBondContact CA-OG1 3.33Å; R522-T525 PolarHBondContact O-N 3.38Å; R522-T525 PolarHBondContact O-OG1 2.98Å; R522-V526 WeakPolarHBondContact O-CG2 3.49Å; R522-V526 PolarHBondContact O-N 3.49Å
523S92.7Very high93.4Very high12 Ų1245.4 Ų45.48%0.08427%0.266CS..Hα-helixtrans-61.6-36.3173178.40000111.9L519 Q521 S527L519-S523 PolarHBondContact O-N 3.43Å; Q521-S523 VanDerWaalsContact C-N 3.31Å; Q521-S523 PolarHBondContact O-N 3.32Å; S523-S527 PolarHBondContact O-N 3.23Å; S523-S527 PolarHBondContact O-OG 2.86Å
524K92.4Very high93.5Very high124 Ų12446.3 Ų46.354%0.53927%0.27SS..Hα-helixtrans-68.7-40.3174-62.9173.8-171.3168.60112.1S520 Q521 R522 S527 S528S520-K524 PolarHBondContact O-N 3.43Å; Q521-K524 WeakPolarHBondContact O-CB 3.4Å; Q521-K524 PolarHBondContact O-N 3.33Å; R522-K524 VanDerWaalsContact C-N 3.26Å; R522-K524 PolarHBondContact O-N 3.49Å; K524-S527 WeakPolarHBondContact O-CB 3.42Å; K524-S527 PolarHBondContact O-N 3.41Å; K524-S527 VanDerWaalsContact O-N 3.13Å; K524-S528 PolarHBondContact O-N 3.25Å; K524-S528 PolarHBondContact O-OG 2.93Å
525T94.2Very high93.3Very high41 Ų4144.2 Ų44.225%0.25226%0.256SS..Hα-helixtrans-65.9-41.5178.157.40000112.1E417 Q521 R522 S527 S528 C529E417-T525 WeakPolarHBondContact OE2-CB 3.36Å; E417-T525 PolarHBondContact OE2-OG1 2.88Å; Q521-T525 PolarHBondContact O-N 3.39Å; R522-T525 VanDerWaalsContact CA-OG1 3.31Å; R522-T525 WeakPolarHBondContact CA-OG1 3.33Å; R522-T525 PolarHBondContact O-N 3.38Å; R522-T525 PolarHBondContact O-OG1 2.98Å; T525-S527 PolarHBondContact O-N 3.28Å; T525-S528 WeakPolarHBondContact O-CB 3.43Å; T525-S528 PolarHBondContact O-N 3.45Å; T525-S528 VanDerWaalsContact O-N 3.14Å; T525-C529 PolarHBondContact O-N 3.13Å
526V93.7Very high93.1Very high0 Ų043.5 Ų43.50%025%0.254CS..Hα-helixtrans-52.3-41.7170167.50000110.8L413 E417 V418 L421 I494 T498 R522 C529 V530L413-V526 HydrophobicContact CD1-CG1 3.97Å; E417-V526 HydrophobicContact CB-CG2 3.73Å; V418-V526 HydrophobicContact CG2-CG1 4.43Å; V418-V526 HydrophobicContact CG2-CG2 4.4Å; L421-V526 HydrophobicContact CB-CG2 4.42Å; L421-V526 HydrophobicContact CD1-CG2 3.75Å; I494-V526 HydrophobicContact CG2-CG1 4.4Å; T498-V526 HydrophobicContact CG2-CG1 4.21Å; R522-V526 WeakPolarHBondContact O-CG2 3.49Å; R522-V526 PolarHBondContact O-N 3.49Å; V526-C529 PolarHBondContact O-N 3.35Å; V526-V530 WeakPolarHBondContact O-CG2 3.32Å; V526-V530 PolarHBondContact O-N 3.43Å
527S92.6Very high93.1Very high16 Ų1642.9 Ų42.911%0.11225%0.251CS..Hα-helixtrans-72.9-35.2-177.1-50.10000112.7F98 S523 K524 T525 V530 A531F98-S527 WeakPolarHBondContact CE2-OG 3.29Å; F98-S527 WeakPolarHBondContact CZ-OG 3.39Å; S523-S527 PolarHBondContact O-N 3.23Å; S523-S527 PolarHBondContact O-OG 2.86Å; K524-S527 WeakPolarHBondContact O-CB 3.42Å; K524-S527 PolarHBondContact O-N 3.41Å; K524-S527 VanDerWaalsContact O-N 3.13Å; T525-S527 PolarHBondContact O-N 3.28Å; S527-V530 PolarHBondContact O-N 3.31Å; S527-A531 PolarHBondContact O-N 3.09Å
528S93.3Very high92.9Very high84 Ų8444.7 Ų44.759%0.58725%0.247SC*.Hα-helixtrans-64.6-40169-63.20000111.9K524 T525 A531 A532K524-S528 PolarHBondContact O-N 3.25Å; K524-S528 PolarHBondContact O-OG 2.93Å; T525-S528 WeakPolarHBondContact O-CB 3.43Å; T525-S528 PolarHBondContact O-N 3.45Å; T525-S528 VanDerWaalsContact O-N 3.14Å; S528-A531 WeakPolarHBondContact O-CB 3.4Å; S528-A531 PolarHBondContact O-N 3.2Å; S528-A532 PolarHBondContact O-N 2.79Å
529C93.3Very high92.5Very high26 Ų2645.7 Ų45.718%0.17625%0.253CS..Hα-helixtrans-66.7-39.4174.5-74.80000112.3L413 E417 T525 V526 A531 A532 V533L413-C529 HydrophobicContact CB-CB 4.36Å; L413-C529 HydrophobicContact CD1-CB 3.91Å; E417-C529 HydrophobicContact CG-CB 4.36Å; E417-C529 VanDerWaalsContact CG-SG 3.52Å; T525-C529 PolarHBondContact O-N 3.13Å; V526-C529 PolarHBondContact O-N 3.35Å; C529-A531 VanDerWaalsContact C-N 3.3Å; C529-A531 PolarHBondContact O-N 3.36Å; C529-A532 WeakPolarHBondContact O-CB 3.5Å; C529-A532 PolarHBondContact O-N 2.95Å; C529-A532 VanDerWaalsContact O-N 3.15Å; C529-V533 WeakPolarHBondContact O-CG2 3.4Å; C529-V533 PolarHBondContact O-N 3.44Å
530V92.4Very high92.1Very high8 Ų845.8 Ų45.85%0.04825%0.254CS..Hα-helixtrans-59.6-43.1171.1169.50000110.5L413 S491 K492 A495 V526 S527 A532 V533 L534L413-V530 HydrophobicContact CD1-CG2 3.69Å; L413-V530 HydrophobicContact CD2-CG2 3.7Å; L413-V530 HydrophobicContact CG-CG2 4.37Å; S491-V530 VanDerWaalsContact O-CG2 3.24Å; S491-V530 WeakPolarHBondContact O-CG2 3.08Å; K492-V530 HydrophobicContact CG-CG1 4.37Å; A495-V530 HydrophobicContact CB-CG2 4.06Å; V526-V530 WeakPolarHBondContact O-CG2 3.32Å; V526-V530 PolarHBondContact O-N 3.43Å; S527-V530 PolarHBondContact O-N 3.31Å; V530-A532 VanDerWaalsContact C-N 3.3Å; V530-A532 PolarHBondContact O-N 2.68Å; V530-V533 PolarHBondContact O-N 3.47Å; V530-L534 HydrophobicContact CG1-CD1 4.33Å; V530-L534 HydrophobicContact CG1-CG 4.39Å; V530-L534 VanDerWaalsContact O-CG 3.3Å; V530-L534 WeakPolarHBondContact O-CG 3.39Å; V530-L534 PolarHBondContact O-N 3.02Å
531A92.7Very high91.8Very high53 Ų5347.1 Ų47.144%0.43826%0.255SS..Hα-helixtrans-60.5-39.1175.200000112.3S527 S528 C529 L534 E535S527-A531 PolarHBondContact O-N 3.09Å; S528-A531 WeakPolarHBondContact O-CB 3.4Å; S528-A531 PolarHBondContact O-N 3.2Å; C529-A531 VanDerWaalsContact C-N 3.3Å; C529-A531 PolarHBondContact O-N 3.36Å; A531-L534 PolarHBondContact O-N 3.33Å; A531-E535 PolarHBondContact O-N 3.41Å
532A93.5Very high91.2Very high52 Ų5247.3 Ų47.343%0.4326%0.255SS..Hα-helixtrans-63.5-41.4173.800000112.5S528 C529 V530 E535 S536S528-A532 PolarHBondContact O-N 2.79Å; C529-A532 WeakPolarHBondContact O-CB 3.5Å; C529-A532 PolarHBondContact O-N 2.95Å; C529-A532 VanDerWaalsContact O-N 3.15Å; V530-A532 VanDerWaalsContact C-N 3.3Å; V530-A532 PolarHBondContact O-N 2.68Å; A532-E535 PolarHBondContact O-N 2.92Å; A532-S536 PolarHBondContact O-N 2.96Å; A532-S536 PolarHBondContact O-OG 3.48Å
533V92.3Very high90.6Very high0 Ų046.7 Ų46.70%026%0.26CS..Hα-helixtrans-59.9-48.1172.71760000110.5L413 S491 C529 V530 E535 S536 V537L413-V533 HydrophobicContact CB-CG2 4.41Å; L413-V533 HydrophobicContact CD2-CG2 4.19Å; S491-V533 WeakPolarHBondContact OG-CG1 3.22Å; C529-V533 WeakPolarHBondContact O-CG2 3.4Å; C529-V533 PolarHBondContact O-N 3.44Å; V530-V533 PolarHBondContact O-N 3.47Å; V533-E535 PolarHBondContact O-N 2.9Å; V533-S536 WeakPolarHBondContact CA-OG 3.47Å; V533-S536 PolarHBondContact O-N 3.33Å; V533-S536 PolarHBondContact O-OG 2.91Å; V533-V537 HydrophobicContact CG1-CG2 4.41Å; V533-V537 WeakPolarHBondContact O-CG2 3.33Å; V533-V537 PolarHBondContact O-N 3.5Å
534L93.1Very high89.8Confident28 Ų2848.3 Ų48.315%0.14727%0.267CS..Hα-helixtrans-59.7-37.6178.7-64178.7000112.2M488 K492 V530 A531 K538M488-L534 HydrophobicContact CB-CD2 3.48Å; M488-L534 VanDerWaalsContact CB-CD2 3.48Å; M488-L534 HydrophobicContact CE-CB 4.29Å; M488-L534 HydrophobicContact CE-CD2 3.83Å; M488-L534 HydrophobicContact CG-CD2 3.67Å; K492-L534 HydrophobicContact CG-CD1 4.25Å; V530-L534 HydrophobicContact CG1-CD1 4.33Å; V530-L534 HydrophobicContact CG1-CG 4.39Å; V530-L534 VanDerWaalsContact O-CG 3.3Å; V530-L534 WeakPolarHBondContact O-CG 3.39Å; V530-L534 PolarHBondContact O-N 3.02Å; A531-L534 PolarHBondContact O-N 3.33Å; L534-K538 WeakPolarHBondContact O-CG 3.26Å; L534-K538 PolarHBondContact O-N 3.43Å; L534-K538 VanDerWaalsContact O-N 3.1Å
535E91.4Very high88.8Confident94 Ų9447.7 Ų47.744%0.43927%0.266SS..Hα-helixtrans-70.2-44.3177.1-163.360.4-16200111.9A531 A532 V533 V537 K538 M539A531-E535 PolarHBondContact O-N 3.41Å; A532-E535 PolarHBondContact O-N 2.92Å; V533-E535 PolarHBondContact O-N 2.9Å; E535-V537 PolarHBondContact O-N 3.26Å; E535-K538 PolarHBondContact O-N 3.46Å; E535-K538 VanDerWaalsContact O-N 3.13Å; E535-K538 IonicContact OE2-NZ 3.96Å; E535-K538 PolarHBondContact OE2-NZ 2.84Å; E535-M539 WeakPolarHBondContact O-CG 3.46Å; E535-M539 PolarHBondContact O-N 2.93Å
536S91.4Very high87.1Confident19 Ų1953 Ų5313%0.13329%0.288CS..Hα-helixtrans-59.4-35.3175.167.30000112.6A532 V533 G540A532-S536 PolarHBondContact O-N 2.96Å; A532-S536 PolarHBondContact O-OG 3.48Å; V533-S536 WeakPolarHBondContact CA-OG 3.47Å; V533-S536 PolarHBondContact O-N 3.33Å; V533-S536 PolarHBondContact O-OG 2.91Å; S536-G540 PolarHBondContact O-N 3.41Å
537V91.9Very high85.2Confident2 Ų259 Ų591%0.01232%0.316CS..Hα-helixtrans-70.7-40.2175.4172.60000112I406 L484 L487 M488 V533 E535 G540 K541I406-V537 HydrophobicContact CD1-CG2 4.17Å; I406-V537 HydrophobicContact CG1-CG2 4.13Å; I406-V537 HydrophobicContact CG2-CG2 4.08Å; L484-V537 HydrophobicContact CB-CG1 3.73Å; L484-V537 HydrophobicContact CD1-CG1 4.39Å; L484-V537 HydrophobicContact CD2-CG1 4.11Å; L484-V537 HydrophobicContact CG-CG1 4.28Å; L487-V537 HydrophobicContact CD2-CG2 3.85Å; L487-V537 HydrophobicContact CG-CG2 4.44Å; M488-V537 HydrophobicContact CG-CB 4.1Å; M488-V537 HydrophobicContact CG-CG1 3.64Å; M488-V537 HydrophobicContact CG-CG2 4.49Å; M488-V537 HydrophobicContact SD-CG1 3.85Å; V533-V537 HydrophobicContact CG1-CG2 4.41Å; V533-V537 WeakPolarHBondContact O-CG2 3.33Å; V533-V537 PolarHBondContact O-N 3.5Å; E535-V537 PolarHBondContact O-N 3.26Å; V537-G540 PolarHBondContact O-N 2.97Å; V537-K541 WeakPolarHBondContact O-CB 3.16Å; V537-K541 PolarHBondContact O-N 2.95Å
538K90.8Very high83.4Confident99 Ų9965.9 Ų65.943%0.4335%0.346SS..Hα-helixtrans-65.8-50.3176.1-73173.4-172170.30112M488 L534 E535 G540 K541 E542M488-K538 HydrophobicContact CE-CG 4.27Å; L534-K538 WeakPolarHBondContact O-CG 3.26Å; L534-K538 PolarHBondContact O-N 3.43Å; L534-K538 VanDerWaalsContact O-N 3.1Å; E535-K538 PolarHBondContact O-N 3.46Å; E535-K538 VanDerWaalsContact O-N 3.13Å; E535-K538 IonicContact OE2-NZ 3.96Å; E535-K538 PolarHBondContact OE2-NZ 2.84Å; K538-G540 PolarHBondContact O-N 3.21Å; K538-K541 WeakPolarHBondContact O-CB 3.27Å; K538-K541 PolarHBondContact O-N 2.86Å; K538-E542 PolarHBondContact O-N 2.91Å
539M87Confident81.7Confident95 Ų9566.4 Ų66.447%0.46834%0.342SS..Hα-helixtrans-57.9-41.4175.4-66.9-58.2-53.300110.5E535 K541 E542 S543E535-M539 WeakPolarHBondContact O-CG 3.46Å; E535-M539 PolarHBondContact O-N 2.93Å; M539-K541 VanDerWaalsContact C-N 3.33Å; M539-K541 PolarHBondContact O-N 3.29Å; M539-E542 PolarHBondContact O-N 3.27Å; M539-S543 PolarHBondContact O-N 3.04Å; M539-S543 PolarHBondContact O-OG 2.85Å; M539-S543 VanDerWaalsContact O-OG 3.1Å
540G85.3Confident80.2Confident3 Ų370.4 Ų70.43%0.03136%0.362CS..Hα-helixtrans-61.6-38.3174.700000113.9S536 V537 K538 L544S536-G540 PolarHBondContact O-N 3.41Å; V537-G540 PolarHBondContact O-N 2.97Å; K538-G540 PolarHBondContact O-N 3.21Å; G540-L544 WeakPolarHBondContact O-CB 3.49Å; G540-L544 WeakPolarHBondContact O-CD1 3.5Å; G540-L544 WeakPolarHBondContact O-CG 3.41Å; G540-L544 PolarHBondContact O-N 3.47Å; G540-L544 VanDerWaalsContact O-N 3.11Å
541K86.5Confident79Confident73 Ų7376 Ų7632%0.31739%0.386SS..Hα-helixtrans-65.6-48176-174.5173.1-179.9169.50111.4L484 E485 V537 K538 M539 S543 L544 E545L484-K541 HydrophobicContact CD1-CB 3.83Å; L484-K541 HydrophobicContact CD1-CG 4.21Å; E485-K541 IonicContact OE1-NZ 2.65Å; E485-K541 PolarHBondContact OE1-NZ 3.07Å; V537-K541 WeakPolarHBondContact O-CB 3.16Å; V537-K541 PolarHBondContact O-N 2.95Å; K538-K541 WeakPolarHBondContact O-CB 3.27Å; K538-K541 PolarHBondContact O-N 2.86Å; M539-K541 VanDerWaalsContact C-N 3.33Å; M539-K541 PolarHBondContact O-N 3.29Å; K541-S543 PolarHBondContact O-N 2.82Å; K541-L544 PolarHBondContact O-N 3.35Å; K541-E545 WeakPolarHBondContact CE-OE1 3.46Å; K541-E545 HydrophobicContact CG-CG 4.48Å; K541-E545 WeakPolarHBondContact CG-OE1 3.16Å; K541-E545 WeakPolarHBondContact O-CB 3.41Å; K541-E545 WeakPolarHBondContact O-CG 3.29Å; K541-E545 PolarHBondContact O-N 3.47Å
542E82.4Confident78Confident108 Ų10877.9 Ų77.951%0.50540%0.396SS..Hα-helixtrans-59.9-46.8177.7-68.9171.9-176.500111.3K538 M539 L544 E545 E546K538-E542 PolarHBondContact O-N 2.91Å; M539-E542 PolarHBondContact O-N 3.27Å; E542-L544 VanDerWaalsContact C-N 3.27Å; E542-L544 PolarHBondContact O-N 2.88Å; E542-E545 PolarHBondContact O-N 2.99Å; E542-E545 VanDerWaalsContact O-N 3.17Å; E542-E546 WeakPolarHBondContact O-CG 3.43Å; E542-E546 PolarHBondContact O-N 3.49Å
543S78.9Confident76.7Confident44 Ų4481.7 Ų81.731%0.30841%0.409SS..Hα-helixtrans-65.7-25.6177.6-58.90000114.2M539 K541M539-S543 PolarHBondContact O-N 3.04Å; M539-S543 PolarHBondContact O-OG 2.85Å; M539-S543 VanDerWaalsContact O-OG 3.1Å; K541-S543 PolarHBondContact O-N 2.82Å
544L76.9Confident75.9Confident46 Ų4684.1 Ų84.124%0.24142%0.422CS..Hα-helixtrans-83.4-27.2174.8-72.2170.9000112.5R399 V402 G540 K541 E542R399-L544 HydrophobicContact CB-CD2 3.96Å; R399-L544 HydrophobicContact CG-CD2 4.06Å; V402-L544 HydrophobicContact CG1-CD1 4.18Å; V402-L544 HydrophobicContact CG1-CG 4.49Å; G540-L544 WeakPolarHBondContact O-CB 3.49Å; G540-L544 WeakPolarHBondContact O-CD1 3.5Å; G540-L544 WeakPolarHBondContact O-CG 3.41Å; G540-L544 PolarHBondContact O-N 3.47Å; G540-L544 VanDerWaalsContact O-N 3.11Å; K541-L544 PolarHBondContact O-N 3.35Å; E542-L544 VanDerWaalsContact C-N 3.27Å; E542-L544 PolarHBondContact O-N 2.88Å
545E70.6Confident75.3Confident111 Ų11185.5 Ų85.552%0.51943%0.434SS..Hα-helixtrans-81.4-28.7177.9-73.8176.9-176.400112.4K541 E542 E547 E548K541-E545 WeakPolarHBondContact CE-OE1 3.46Å; K541-E545 HydrophobicContact CG-CG 4.48Å; K541-E545 WeakPolarHBondContact CG-OE1 3.16Å; K541-E545 WeakPolarHBondContact O-CB 3.41Å; K541-E545 WeakPolarHBondContact O-CG 3.29Å; K541-E545 PolarHBondContact O-N 3.47Å; E542-E545 PolarHBondContact O-N 2.99Å; E542-E545 VanDerWaalsContact O-N 3.17Å; E545-E547 PolarHBondContact O-N 3Å; E545-E548 PolarHBondContact O-N 3.41Å
546E59Low74.8Confident152 Ų15287.3 Ų87.371%0.7145%0.446SS*.G310 helixtrans-62.6-21.8178.5-79.8-177.1173.400114E542 E548E542-E546 WeakPolarHBondContact O-CG 3.43Å; E542-E546 PolarHBondContact O-N 3.49Å; E546-E548 PolarHBondContact O-N 3.45Å
547E53.4Low74.1Confident126 Ų12693 Ų9359%0.58947%0.47SS*.G310 helixtrans-70.7-9.8178.7-78.2-172.1162.400114.4E545E545-E547 PolarHBondContact O-N 3Å
548E56Low73.5Confident160 Ų16096.4 Ų96.475%0.74849%0.486SS*.G310 helixtrans-101.6-2.6-175.7-77.4-163.5169.300116.7E545 E546E545-E548 PolarHBondContact O-N 3.41Å; E546-E548 PolarHBondContact O-N 3.45Å
549L57.6Low73Confident95 Ų9594.6 Ų94.650%0.49748%0.483SS..  trans-12552.5-164.8-59.3174.9000115.2F551L549-F551 HydrophobicContact CB-CD2 4.36Å; L549-F551 HydrophobicContact CB-CE2 3.82Å; L549-F551 HydrophobicContact CB-CZ 4.37Å; L549-F551 HydrophobicContact CD2-CE2 3.96Å; L549-F551 HydrophobicContact CD2-CZ 3.65Å; L549-F551 HydrophobicContact CG-CE2 4.32Å; L549-F551 HydrophobicContact CG-CZ 4.49Å; L549-F551 PolarHBondContact O-N 3.35Å
550D61.2Low72.6Confident110 Ų11096.4 Ų96.459%0.58849%0.488SS*.  trans-82.294.9164.3-174.213.3000111S552D550-S552 VanDerWaalsContact C-N 3.33Å; D550-S552 VanDerWaalsContact OD1-CB 3.23Å; D550-S552 WeakPolarHBondContact OD1-CB 3.49Å; D550-S552 PolarHBondContact OD1-N 3.28Å; D550-S552 PolarHBondContact OD1-OG 3.47Å; D550-S552 PolarHBondContact OD2-OG 2.99Å
551F67Low72.4Confident125 Ų125102.7 Ų102.755%0.54851%0.511SS..  trans-84.1-5.6175.1-62.7-72.5000114L549 N553 L554L549-F551 HydrophobicContact CB-CD2 4.36Å; L549-F551 HydrophobicContact CB-CE2 3.82Å; L549-F551 HydrophobicContact CB-CZ 4.37Å; L549-F551 HydrophobicContact CD2-CE2 3.96Å; L549-F551 HydrophobicContact CD2-CZ 3.65Å; L549-F551 HydrophobicContact CG-CE2 4.32Å; L549-F551 HydrophobicContact CG-CZ 4.49Å; L549-F551 PolarHBondContact O-N 3.35Å; F551-N553 VanDerWaalsContact C-N 3.26Å; F551-N553 PolarHBondContact O-N 2.96Å; F551-L554 HydrophobicContact CB-CD1 4.2Å; F551-L554 HydrophobicContact CD1-CD1 3.77Å; F551-L554 HydrophobicContact CG-CD1 4.47Å
552S71.6Confident72.1Confident93 Ų93101.2 Ų101.265%0.6551%0.507SS*.THydrogen-bonded Turntrans-69.9-20.1-163.666.90000114.4D550D550-S552 VanDerWaalsContact C-N 3.33Å; D550-S552 VanDerWaalsContact OD1-CB 3.23Å; D550-S552 WeakPolarHBondContact OD1-CB 3.49Å; D550-S552 PolarHBondContact OD1-N 3.28Å; D550-S552 PolarHBondContact OD1-OG 3.47Å; D550-S552 PolarHBondContact OD2-OG 2.99Å
553N66.4Low72.1Confident133 Ų133101.2 Ų101.271%0.71151%0.506SS*.THydrogen-bonded Turntrans-111.519.3-173.7-67.7-52.6000114.8F551F551-N553 VanDerWaalsContact C-N 3.26Å; F551-N553 PolarHBondContact O-N 2.96Å
554L75.7Confident72.1Confident51 Ų51104.1 Ų104.127%0.26752%0.517SS..  trans-94129.9-175.3-68159.8000112.4F551 Q558 L562F551-L554 HydrophobicContact CB-CD1 4.2Å; F551-L554 HydrophobicContact CD1-CD1 3.77Å; F551-L554 HydrophobicContact CG-CD1 4.47Å; L554-Q558 HydrophobicContact CB-CB 4.35Å; L554-Q558 HydrophobicContact CD2-CB 3.72Å; L554-L562 HydrophobicContact CD1-CD1 3.49Å; L554-L562 VanDerWaalsContact CD1-CD1 3.49Å; L554-L562 HydrophobicContact CD2-CD1 3.39Å; L554-L562 HydrophobicContact CG-CD1 4.09Å
555S79.8Confident72.2Confident57 Ų57106.3 Ų106.340%0.39953%0.526SS..  trans-66.9153.9166.666.30000111.2H557 Q558 T559S555-H557 PolarHBondContact O-N 3.38Å; S555-Q558 CarbonylContact O-C 3.57Å; S555-Q558 WeakPolarHBondContact O-CA 3.29Å; S555-Q558 WeakPolarHBondContact O-CB 3.28Å; S555-Q558 PolarHBondContact O-N 2.99Å; S555-Q558 VanDerWaalsContact OG-CD 3.26Å; S555-Q558 VanDerWaalsContact OG-CG 3.28Å; S555-Q558 WeakPolarHBondContact OG-CG 3.45Å; S555-Q558 PolarHBondContact OG-N 2.9Å; S555-Q558 PolarHBondContact OG-OE1 3.28Å; S555-T559 PolarHBondContact O-N 2.95Å; S555-T559 PolarHBondContact O-OG1 3.35Å; S555-T559 VanDerWaalsContact O-OG1 3.13Å
556L81.1Confident72.7Confident131 Ų131106 Ų10669%0.68652%0.522SS*.Hα-helixtrans-49.2-38.4179.2-178.767.8000113.5K560L556-K560 WeakPolarHBondContact O-CG 3.4Å; L556-K560 PolarHBondContact O-N 3.13Å
557H77Confident73.8Confident139 Ų139103.2 Ų103.264%0.64451%0.509SS*.Hα-helixtrans-68.7-43.1176.6-179.6-85000112S555 T559 K560 R561S555-H557 PolarHBondContact O-N 3.38Å; H557-T559 VanDerWaalsContact C-N 3.34Å; H557-K560 PolarHBondContact O-N 2.86Å; H557-R561 WeakPolarHBondContact O-CB 3.36Å; H557-R561 PolarHBondContact O-N 3.47Å
558Q80.4Confident75.3Confident74 Ų74101 Ų10135%0.34650%0.501SS..Hα-helixtrans-65.1-39175.5-69.1164.4-4600111.4L554 S555 R561 L562L554-Q558 HydrophobicContact CB-CB 4.35Å; L554-Q558 HydrophobicContact CD2-CB 3.72Å; S555-Q558 CarbonylContact O-C 3.57Å; S555-Q558 WeakPolarHBondContact O-CA 3.29Å; S555-Q558 WeakPolarHBondContact O-CB 3.28Å; S555-Q558 PolarHBondContact O-N 2.99Å; S555-Q558 VanDerWaalsContact OG-CD 3.26Å; S555-Q558 VanDerWaalsContact OG-CG 3.28Å; S555-Q558 WeakPolarHBondContact OG-CG 3.45Å; S555-Q558 PolarHBondContact OG-N 2.9Å; S555-Q558 PolarHBondContact OG-OE1 3.28Å; Q558-R561 PolarHBondContact O-N 3.04Å; Q558-L562 WeakPolarHBondContact O-CB 3.26Å; Q558-L562 WeakPolarHBondContact O-CG 3.47Å; Q558-L562 PolarHBondContact O-N 3.03Å
559T78.9Confident76.3Confident61 Ų6199.2 Ų99.237%0.37449%0.487SS..Hα-helixtrans-59.9-50.3174.9-50.20000111.3S555 H557 R561 L562 E563S555-T559 PolarHBondContact O-N 2.95Å; S555-T559 PolarHBondContact O-OG1 3.35Å; S555-T559 VanDerWaalsContact O-OG1 3.13Å; H557-T559 VanDerWaalsContact C-N 3.34Å; T559-R561 VanDerWaalsContact C-N 3.34Å; T559-R561 PolarHBondContact O-N 3.4Å; T559-L562 PolarHBondContact O-N 2.99Å; T559-E563 WeakPolarHBondContact O-CB 3.32Å; T559-E563 PolarHBondContact O-N 3.33Å
560K79.7Confident77.3Confident133 Ų13398.4 Ų98.458%0.57849%0.486SS*.Hα-helixtrans-62.8-38.6177.8-74.9-176175.9-173.90113L556 H557 M564L556-K560 WeakPolarHBondContact O-CG 3.4Å; L556-K560 PolarHBondContact O-N 3.13Å; H557-K560 PolarHBondContact O-N 2.86Å; K560-M564 PolarHBondContact O-N 3.13Å
561R80Confident78.3Confident134 Ų13498.6 Ų98.651%0.50649%0.486SS..Hα-helixtrans-64.8-47.7176.2-171.6-176.967.7176.71.1111.1H557 Q558 T559 M564 E565H557-R561 WeakPolarHBondContact O-CB 3.36Å; H557-R561 PolarHBondContact O-N 3.47Å; Q558-R561 PolarHBondContact O-N 3.04Å; T559-R561 VanDerWaalsContact C-N 3.34Å; T559-R561 PolarHBondContact O-N 3.4Å; R561-M564 PolarHBondContact O-N 2.92Å; R561-E565 WeakPolarHBondContact CG-OE1 3.39Å; R561-E565 IonicContact NE-OE1 3.74Å; R561-E565 WeakPolarHBondContact O-CG 3.26Å; R561-E565 PolarHBondContact O-N 3.11Å
562L80.7Confident79.1Confident43 Ų4396.9 Ų96.923%0.22548%0.48CS..Hα-helixtrans-64.5-39.4177.3-76168.9000111.9L554 Q558 T559 M564 E565 K566L554-L562 HydrophobicContact CD1-CD1 3.49Å; L554-L562 VanDerWaalsContact CD1-CD1 3.49Å; L554-L562 HydrophobicContact CD2-CD1 3.39Å; L554-L562 HydrophobicContact CG-CD1 4.09Å; Q558-L562 WeakPolarHBondContact O-CB 3.26Å; Q558-L562 WeakPolarHBondContact O-CG 3.47Å; Q558-L562 PolarHBondContact O-N 3.03Å; T559-L562 PolarHBondContact O-N 2.99Å; L562-M564 PolarHBondContact O-N 3.43Å; L562-E565 PolarHBondContact O-N 3.12Å; L562-K566 WeakPolarHBondContact O-CB 3.46Å; L562-K566 VanDerWaalsContact O-CG 3.22Å; L562-K566 WeakPolarHBondContact O-CG 3.38Å; L562-K566 PolarHBondContact O-N 2.97Å
563E81.4Confident79.7Confident107 Ų10796.6 Ų96.650%0.547%0.471SS..Hα-helixtrans-57-49.8173.9-177.9-173.1178.800110.8T559 E565 K566 Q567T559-E563 WeakPolarHBondContact O-CB 3.32Å; T559-E563 PolarHBondContact O-N 3.33Å; E563-E565 PolarHBondContact O-N 3.48Å; E563-K566 PolarHBondContact O-N 3.06Å; E563-Q567 WeakPolarHBondContact O-CB 3.03Å; E563-Q567 WeakPolarHBondContact O-CG 3.39Å; E563-Q567 PolarHBondContact O-N 3.4Å; E563-Q567 PolarHBondContact OE1-NE2 3.45Å
564M80.3Confident80.5Confident106 Ų10695.3 Ų95.352%0.52246%0.46SS..Hα-helixtrans-60.6-45.1176.2-174.566.369.100111.6K560 R561 L562 K566 Q567 I568K560-M564 PolarHBondContact O-N 3.13Å; R561-M564 PolarHBondContact O-N 2.92Å; L562-M564 PolarHBondContact O-N 3.43Å; M564-K566 VanDerWaalsContact C-N 3.33Å; M564-K566 PolarHBondContact O-N 3.43Å; M564-Q567 PolarHBondContact O-N 2.94Å; M564-I568 HydrophobicContact CG-CD1 4.02Å; M564-I568 VanDerWaalsContact O-CG1 3.25Å; M564-I568 WeakPolarHBondContact O-CG1 3.48Å; M564-I568 PolarHBondContact O-N 3.29Å
565E78Confident80.9Confident92 Ų9295.8 Ų95.843%0.4347%0.468SS..Hα-helixtrans-59.8-40.9176.1-73.9169.6-170.100111.9R561 L562 E563 R569R561-E565 WeakPolarHBondContact CG-OE1 3.39Å; R561-E565 IonicContact NE-OE1 3.74Å; R561-E565 WeakPolarHBondContact O-CG 3.26Å; R561-E565 PolarHBondContact O-N 3.11Å; L562-E565 PolarHBondContact O-N 3.12Å; E563-E565 PolarHBondContact O-N 3.48Å; E565-R569 WeakPolarHBondContact O-CB 3.49Å; E565-R569 PolarHBondContact O-N 2.87Å
566K81.5Confident81.2Confident104 Ų10497.2 Ų97.245%0.45247%0.471SS..Hα-helixtrans-70.6-37.8176.4-65.1-62.5179.8179.10111.9L562 E563 M564 R569 V570L562-K566 WeakPolarHBondContact O-CB 3.46Å; L562-K566 VanDerWaalsContact O-CG 3.22Å; L562-K566 WeakPolarHBondContact O-CG 3.38Å; L562-K566 PolarHBondContact O-N 2.97Å; E563-K566 PolarHBondContact O-N 3.06Å; M564-K566 VanDerWaalsContact C-N 3.33Å; M564-K566 PolarHBondContact O-N 3.43Å; K566-R569 WeakPolarHBondContact O-CB 3.43Å; K566-R569 PolarHBondContact O-N 3.01Å; K566-V570 WeakPolarHBondContact O-CG2 3.29Å; K566-V570 PolarHBondContact O-N 2.93Å
567Q83.1Confident81.1Confident94 Ų9494.9 Ų94.944%0.43946%0.459SS..Hα-helixtrans-63.6-44.2173.6-75.6175.1-1.100111.9E563 M564 R569 V570 L571E563-Q567 WeakPolarHBondContact O-CB 3.03Å; E563-Q567 WeakPolarHBondContact O-CG 3.39Å; E563-Q567 PolarHBondContact O-N 3.4Å; E563-Q567 PolarHBondContact OE1-NE2 3.45Å; M564-Q567 PolarHBondContact O-N 2.94Å; Q567-R569 VanDerWaalsContact C-N 3.27Å; Q567-R569 PolarHBondContact O-N 3.32Å; Q567-V570 WeakPolarHBondContact O-CB 3.38Å; Q567-V570 PolarHBondContact O-N 3.15Å; Q567-L571 PolarHBondContact O-N 3.03Å; Q567-L571 VanDerWaalsContact O-N 3.09Å
568I83Confident81.5Confident80 Ų8091.4 Ų91.441%0.4145%0.445SS..Hα-helixtrans-58.2-44.5173.2-68.5164.7000109.7M564 V570 L571 E572M564-I568 HydrophobicContact CG-CD1 4.02Å; M564-I568 VanDerWaalsContact O-CG1 3.25Å; M564-I568 WeakPolarHBondContact O-CG1 3.48Å; M564-I568 PolarHBondContact O-N 3.29Å; I568-V570 VanDerWaalsContact C-N 3.32Å; I568-V570 PolarHBondContact O-N 2.96Å; I568-L571 PolarHBondContact O-N 2.95Å; I568-E572 HydrophobicContact CG2-CG 4.45Å; I568-E572 WeakPolarHBondContact O-CG 3.44Å; I568-E572 PolarHBondContact O-N 3.45Å
569R78.2Confident81.9Confident122 Ų12294 Ų9446%0.4646%0.455SS..Hα-helixtrans-62.1-37.8177.9-173.556176.2171.90.6113E565 K566 Q567 E572 L573E565-R569 WeakPolarHBondContact O-CB 3.49Å; E565-R569 PolarHBondContact O-N 2.87Å; K566-R569 WeakPolarHBondContact O-CB 3.43Å; K566-R569 PolarHBondContact O-N 3.01Å; Q567-R569 VanDerWaalsContact C-N 3.27Å; Q567-R569 PolarHBondContact O-N 3.32Å; R569-E572 WeakPolarHBondContact CD-OE2 3.45Å; R569-E572 IonicContact CZ-OE2 2.96Å; R569-E572 IonicContact NH1-OE2 2.76Å; R569-E572 PolarHBondContact NH1-OE2 3.36Å; R569-E572 PolarHBondContact O-N 2.98Å; R569-L573 HydrophobicContact CG-CD1 4.2Å; R569-L573 WeakPolarHBondContact O-CB 3.4Å; R569-L573 VanDerWaalsContact O-CG 3.25Å; R569-L573 WeakPolarHBondContact O-CG 3.45Å; R569-L573 PolarHBondContact O-N 3.38Å
570V78.5Confident81.9Confident77 Ų7797.2 Ų97.247%0.46747%0.466SS..Hα-helixtrans-60.7-48.7173.9169.30000110.5K566 Q567 I568 E572 L573 E574K566-V570 WeakPolarHBondContact O-CG2 3.29Å; K566-V570 PolarHBondContact O-N 2.93Å; Q567-V570 WeakPolarHBondContact O-CB 3.38Å; Q567-V570 PolarHBondContact O-N 3.15Å; I568-V570 VanDerWaalsContact C-N 3.32Å; I568-V570 PolarHBondContact O-N 2.96Å; V570-E572 VanDerWaalsContact C-N 3.35Å; V570-E572 PolarHBondContact O-N 2.95Å; V570-L573 PolarHBondContact O-N 3.36Å; V570-L573 VanDerWaalsContact O-N 3.16Å; V570-E574 HydrophobicContact CG1-CG 4.4Å; V570-E574 WeakPolarHBondContact O-CG 3.24Å; V570-E574 PolarHBondContact O-N 3.28Å
571L82.9Confident81.9Confident114 Ų11496 Ų9660%0.59746%0.458SS*.Hα-helixtrans-62.2-39.8178.8-68.8171.6000112.6Q567 I568 E574 S575Q567-L571 PolarHBondContact O-N 3.03Å; Q567-L571 VanDerWaalsContact O-N 3.09Å; I568-L571 PolarHBondContact O-N 2.95Å; L571-E574 PolarHBondContact O-N 3.07Å; L571-S575 WeakPolarHBondContact O-CB 3.42Å; L571-S575 PolarHBondContact O-N 3.36Å
572E83.5Confident82.2Confident90 Ų9096.6 Ų96.642%0.42146%0.464SS..Hα-helixtrans-60.5-45.8173.3-73.3177.7173.800111.9I568 R569 V570 S575 L576I568-E572 HydrophobicContact CG2-CG 4.45Å; I568-E572 WeakPolarHBondContact O-CG 3.44Å; I568-E572 PolarHBondContact O-N 3.45Å; R569-E572 WeakPolarHBondContact CD-OE2 3.45Å; R569-E572 IonicContact CZ-OE2 2.96Å; R569-E572 IonicContact NH1-OE2 2.76Å; R569-E572 PolarHBondContact NH1-OE2 3.36Å; R569-E572 PolarHBondContact O-N 2.98Å; V570-E572 VanDerWaalsContact C-N 3.35Å; V570-E572 PolarHBondContact O-N 2.95Å; E572-S575 PolarHBondContact O-N 3.15Å; E572-L576 WeakPolarHBondContact O-CG 3.4Å; E572-L576 PolarHBondContact O-N 3.09Å
573L84.2Confident82.2Confident86 Ų8698 Ų9845%0.4548%0.477SS..Hα-helixtrans-66.7-38.9179.5-72.7172000111.9R569 V570 L576 L577R569-L573 HydrophobicContact CG-CD1 4.2Å; R569-L573 WeakPolarHBondContact O-CB 3.4Å; R569-L573 VanDerWaalsContact O-CG 3.25Å; R569-L573 WeakPolarHBondContact O-CG 3.45Å; R569-L573 PolarHBondContact O-N 3.38Å; V570-L573 PolarHBondContact O-N 3.36Å; V570-L573 VanDerWaalsContact O-N 3.16Å; L573-L576 PolarHBondContact O-N 3.5Å; L573-L577 WeakPolarHBondContact O-CB 3.48Å; L573-L577 PolarHBondContact O-N 2.83Å
574E82.6Confident81.5Confident106 Ų10695 Ų9550%0.49546%0.464SS..Hα-helixtrans-62.2-44.4173.1-73.3178.3160.100111.4V570 L571 L576 L577 D578V570-E574 HydrophobicContact CG1-CG 4.4Å; V570-E574 WeakPolarHBondContact O-CG 3.24Å; V570-E574 PolarHBondContact O-N 3.28Å; L571-E574 PolarHBondContact O-N 3.07Å; E574-L576 PolarHBondContact O-N 3.39Å; E574-L577 WeakPolarHBondContact O-CB 3.41Å; E574-L577 PolarHBondContact O-N 3.45Å; E574-D578 PolarHBondContact O-N 2.94Å
575S84.6Confident81.2Confident62 Ų6291.1 Ų91.143%0.43445%0.452SS..Hα-helixtrans-61.4-44.4175.3-172.80000112.4L571 E572 D578 K579L571-S575 WeakPolarHBondContact O-CB 3.42Å; L571-S575 PolarHBondContact O-N 3.36Å; E572-S575 PolarHBondContact O-N 3.15Å; S575-D578 PolarHBondContact O-N 3.42Å; S575-K579 WeakPolarHBondContact O-CG 3.37Å; S575-K579 PolarHBondContact O-N 2.92Å; S575-K579 VanDerWaalsContact O-N 3.08Å
576L85.1Confident81.4Confident86 Ų8689.6 Ų89.645%0.4546%0.455SS..Hα-helixtrans-65.6-40.8175.8-72.5172.6000111.8E572 L573 E574 D578 K579 E580E572-L576 WeakPolarHBondContact O-CG 3.4Å; E572-L576 PolarHBondContact O-N 3.09Å; L573-L576 PolarHBondContact O-N 3.5Å; E574-L576 PolarHBondContact O-N 3.39Å; L576-D578 VanDerWaalsContact C-N 3.32Å; L576-D578 PolarHBondContact O-N 3.21Å; L576-K579 WeakPolarHBondContact O-CB 3.46Å; L576-K579 PolarHBondContact O-N 3.17Å; L576-E580 PolarHBondContact O-N 3.46Å
577L79.8Confident81Confident82 Ų8290.3 Ų90.343%0.42946%0.463SS..Hα-helixtrans-60.4-43176.7179.664.5000111.2L573 E574 E580 R581L573-L577 WeakPolarHBondContact O-CB 3.48Å; L573-L577 PolarHBondContact O-N 2.83Å; E574-L577 WeakPolarHBondContact O-CB 3.41Å; E574-L577 PolarHBondContact O-N 3.45Å; L577-E580 PolarHBondContact O-N 3.38Å; L577-R581 HydrophobicContact CD1-CG 4.5Å; L577-R581 WeakPolarHBondContact O-CB 3.44Å; L577-R581 WeakPolarHBondContact O-CG 3.46Å; L577-R581 PolarHBondContact O-N 3.17Å
578D84.6Confident80.4Confident66 Ų6687.9 Ų87.935%0.35345%0.45SS..Hα-helixtrans-68.6-35.3176.9-80.1-15.3000112.8Q221 E574 S575 L576 R581 K582Q221-D578 PolarHBondContact NE2-OD1 3.45Å; E574-D578 PolarHBondContact O-N 2.94Å; S575-D578 PolarHBondContact O-N 3.42Å; L576-D578 VanDerWaalsContact C-N 3.32Å; L576-D578 PolarHBondContact O-N 3.21Å; D578-R581 IonicContact OD1-NH1 2.71Å; D578-R581 PolarHBondContact OD1-NH1 3.38Å; D578-K582 WeakPolarHBondContact O-CB 3.49Å; D578-K582 VanDerWaalsContact O-CG 3.28Å; D578-K582 WeakPolarHBondContact O-CG 3.49Å; D578-K582 PolarHBondContact O-N 3.44Å
579K89.5Confident80Confident130 Ų13090.9 Ų90.957%0.56546%0.46SS*.Hα-helixtrans-61.8-48.1171.2-73.5174.8-176.3176.30111.6S575 L576 R581 K582 S583S575-K579 WeakPolarHBondContact O-CG 3.37Å; S575-K579 PolarHBondContact O-N 2.92Å; S575-K579 VanDerWaalsContact O-N 3.08Å; L576-K579 WeakPolarHBondContact O-CB 3.46Å; L576-K579 PolarHBondContact O-N 3.17Å; K579-R581 PolarHBondContact O-N 3.12Å; K579-K582 PolarHBondContact O-N 3.08Å; K579-S583 WeakPolarHBondContact O-CB 3.45Å; K579-S583 PolarHBondContact O-N 3.41Å
580E79.4Confident79.8Confident128 Ų12890 Ų9060%0.59846%0.461SS*.Hα-helixtrans-64.4-39.6178.4-73.8-58.714500112.1L576 L577 K582 S583 L584L576-E580 PolarHBondContact O-N 3.46Å; L577-E580 PolarHBondContact O-N 3.38Å; E580-K582 PolarHBondContact O-N 2.95Å; E580-S583 PolarHBondContact O-N 2.95Å; E580-L584 WeakPolarHBondContact O-CB 3.44Å; E580-L584 PolarHBondContact O-N 3.19Å
581R79.7Confident79.1Confident107 Ų10790.3 Ų90.340%0.40446%0.457SS..Hα-helixtrans-62.7-41.4174.7-75.7173.4175.8168.8-8.4112.2Q221 L577 D578 K579 G585Q221-R581 HydrophobicContact CG-CB 4.19Å; L577-R581 HydrophobicContact CD1-CG 4.5Å; L577-R581 WeakPolarHBondContact O-CB 3.44Å; L577-R581 WeakPolarHBondContact O-CG 3.46Å; L577-R581 PolarHBondContact O-N 3.17Å; D578-R581 IonicContact OD1-NH1 2.71Å; D578-R581 PolarHBondContact OD1-NH1 3.38Å; K579-R581 PolarHBondContact O-N 3.12Å; R581-G585 PolarHBondContact O-N 3.37Å
582K85.3Confident78Confident147 Ų14790 Ų9064%0.63945%0.448SS*.Hα-helixtrans-63.5-46.3173.7-74172.6-177.2178.30111.5D578 K579 E580 G585 A586D578-K582 WeakPolarHBondContact O-CB 3.49Å; D578-K582 VanDerWaalsContact O-CG 3.28Å; D578-K582 WeakPolarHBondContact O-CG 3.49Å; D578-K582 PolarHBondContact O-N 3.44Å; K579-K582 PolarHBondContact O-N 3.08Å; E580-K582 PolarHBondContact O-N 2.95Å; K582-G585 PolarHBondContact O-N 3.45Å; K582-A586 PolarHBondContact O-N 3.48Å
583S81.6Confident77.4Confident71 Ų7191.5 Ų91.550%0.49746%0.455SS..Hα-helixtrans-58.6-49.4176.5-176.40000111.7K579 E580 G585 A586 L587K579-S583 WeakPolarHBondContact O-CB 3.45Å; K579-S583 PolarHBondContact O-N 3.41Å; E580-S583 PolarHBondContact O-N 2.95Å; S583-G585 VanDerWaalsContact C-N 3.34Å; S583-G585 PolarHBondContact O-N 2.99Å; S583-A586 WeakPolarHBondContact O-CB 3.46Å; S583-A586 PolarHBondContact O-N 3.31Å; S583-L587 WeakPolarHBondContact O-CB 3.47Å; S583-L587 PolarHBondContact O-N 3.36Å
584L66.7Low76.4Confident44 Ų4489.3 Ų89.323%0.2344%0.444CS..Hα-helixtrans-60.3-41.2174.817466.3000112.3E580 L587 R588E580-L584 WeakPolarHBondContact O-CB 3.44Å; E580-L584 PolarHBondContact O-N 3.19Å; L584-L587 PolarHBondContact O-N 2.98Å; L584-R588 HydrophobicContact CD1-CG 4.47Å; L584-R588 WeakPolarHBondContact O-CB 3.31Å; L584-R588 WeakPolarHBondContact O-CD 3.35Å; L584-R588 VanDerWaalsContact O-CG 3.23Å; L584-R588 WeakPolarHBondContact O-CG 3.27Å; L584-R588 PolarHBondContact O-N 3.29Å
585G74.2Confident74.7Confident26 Ų2685.7 Ų85.727%0.26844%0.435SS..Hα-helixtrans-61.5-42.7174.400000112.3R581 K582 S583 R588 K589R581-G585 PolarHBondContact O-N 3.37Å; K582-G585 PolarHBondContact O-N 3.45Å; S583-G585 VanDerWaalsContact C-N 3.34Å; S583-G585 PolarHBondContact O-N 2.99Å; G585-R588 PolarHBondContact O-N 2.99Å; G585-K589 WeakPolarHBondContact O-CG 3.48Å; G585-K589 PolarHBondContact O-N 3.27Å
586A81.5Confident73Confident59 Ų5987.9 Ų87.949%0.48844%0.442SS..Hα-helixtrans-65.2-45.3175.100000112K582 S583 R588 K589 H590K582-A586 PolarHBondContact O-N 3.48Å; S583-A586 WeakPolarHBondContact O-CB 3.46Å; S583-A586 PolarHBondContact O-N 3.31Å; A586-R588 VanDerWaalsContact C-N 3.26Å; A586-R588 PolarHBondContact O-N 3.27Å; A586-K589 PolarHBondContact O-N 2.95Å; A586-H590 WeakPolarHBondContact O-CB 3.45Å; A586-H590 PolarHBondContact O-N 3.21Å
587L72.1Confident71Confident120 Ų12086.1 Ų86.163%0.62844%0.437SS*.Hα-helixtrans-57.5-40.9175.4-169.4105.6000111.5S583 L584 H591S583-L587 WeakPolarHBondContact O-CB 3.47Å; S583-L587 PolarHBondContact O-N 3.36Å; L584-L587 PolarHBondContact O-N 2.98Å; L587-H591 WeakPolarHBondContact O-CB 3.47Å; L587-H591 PolarHBondContact O-N 3.34Å
588R70.8Confident69.1Low43 Ų4386.1 Ų86.116%0.16243%0.434CS..Hα-helixtrans-69.1-44.3176.2-75.6163.8148.1178.6-30.1112.8E222 P223 S224 L584 G585 A586 H590 H591 Y592E222-R588 PolarHBondContact O-NH1 3.02Å; E222-R588 IonicContact OE2-NH2 2.87Å; P223-R588 VanDerWaalsContact C-NH2 3.32Å; P223-R588 PolarHBondContact O-NH2 3.23Å; S224-R588 VanDerWaalsContact CA-CZ 3.47Å; L584-R588 HydrophobicContact CD1-CG 4.47Å; L584-R588 WeakPolarHBondContact O-CB 3.31Å; L584-R588 WeakPolarHBondContact O-CD 3.35Å; L584-R588 VanDerWaalsContact O-CG 3.23Å; L584-R588 WeakPolarHBondContact O-CG 3.27Å; L584-R588 PolarHBondContact O-N 3.29Å; G585-R588 PolarHBondContact O-N 2.99Å; A586-R588 VanDerWaalsContact C-N 3.26Å; A586-R588 PolarHBondContact O-N 3.27Å; R588-H590 VanDerWaalsContact C-N 3.26Å; R588-H590 PolarHBondContact O-N 3.05Å; R588-H591 WeakPolarHBondContact O-CB 3.5Å; R588-H591 PolarHBondContact O-N 3.01Å; R588-H591 VanDerWaalsContact O-N 3.11Å; R588-Y592 HydrophobicContact CB-CE2 4.34Å; R588-Y592 WeakPolarHBondContact O-CD2 3.21Å; R588-Y592 PolarHBondContact O-N 3.31Å
589K75.5Confident66.9Low142 Ų14289.4 Ų89.462%0.61745%0.447SS*.Hα-helixtrans-56.4-44.6173.9-76.5178.4-178.8-177.20110.8G585 A586 Y592 Q593G585-K589 WeakPolarHBondContact O-CG 3.48Å; G585-K589 PolarHBondContact O-N 3.27Å; A586-K589 PolarHBondContact O-N 2.95Å; K589-Y592 PolarHBondContact O-N 2.84Å; K589-Q593 WeakPolarHBondContact O-CG 3.11Å; K589-Q593 PolarHBondContact O-N 3.2Å
590H72.8Confident64.5Low104 Ų10490.5 Ų90.548%0.48145%0.454SS..Hα-helixtrans-59.7-46.7174.1-175.6-109.9000111.3A586 R588 Y592 Q593 L594A586-H590 WeakPolarHBondContact O-CB 3.45Å; A586-H590 PolarHBondContact O-N 3.21Å; R588-H590 VanDerWaalsContact C-N 3.26Å; R588-H590 PolarHBondContact O-N 3.05Å; H590-Y592 VanDerWaalsContact C-N 3.3Å; H590-Y592 PolarHBondContact O-N 3.19Å; H590-Q593 PolarHBondContact O-N 3.49Å; H590-L594 WeakPolarHBondContact CE1-CD1 3.33Å; H590-L594 WeakPolarHBondContact ND1-CD1 3.38Å; H590-L594 WeakPolarHBondContact O-CB 3.4Å; H590-L594 VanDerWaalsContact O-CD1 3.25Å; H590-L594 WeakPolarHBondContact O-CD1 3.43Å; H590-L594 VanDerWaalsContact O-CG 3.29Å; H590-L594 WeakPolarHBondContact O-CG 3.2Å; H590-L594 PolarHBondContact O-N 2.91Å
591H65.8Low62.5Low84 Ų8491.9 Ų91.939%0.38946%0.46SS..Hα-helixtrans-60.1-34.2176-175.9-146.3000113.4L587 R588 G595L587-H591 WeakPolarHBondContact O-CB 3.47Å; L587-H591 PolarHBondContact O-N 3.34Å; R588-H591 WeakPolarHBondContact O-CB 3.5Å; R588-H591 PolarHBondContact O-N 3.01Å; R588-H591 VanDerWaalsContact O-N 3.11Å; H591-G595 PolarHBondContact O-N 3.08Å
592Y59Low60.4Low106 Ų10691.3 Ų91.342%0.41647%0.469SS..Hα-helixtrans-73.2-42.7174-70.2-62.9000112.9R588 K589 H590 L594 G595 D596R588-Y592 HydrophobicContact CB-CE2 4.34Å; R588-Y592 WeakPolarHBondContact O-CD2 3.21Å; R588-Y592 PolarHBondContact O-N 3.31Å; K589-Y592 PolarHBondContact O-N 2.84Å; H590-Y592 VanDerWaalsContact C-N 3.3Å; H590-Y592 PolarHBondContact O-N 3.19Å; Y592-L594 PolarHBondContact O-N 3.27Å; Y592-G595 WeakPolarHBondContact O-CA 3.29Å; Y592-G595 PolarHBondContact O-N 2.87Å; Y592-D596 PolarHBondContact O-N 3.01Å; Y592-D596 VanDerWaalsContact O-N 3.09Å
593Q71.6Confident58.2Low122 Ų12288.3 Ų88.357%0.5747%0.471SS*.Hα-helixtrans-60.4-32.4175.5-71.2168.1-6.300112.1K589 H590 G595 D596 S597K589-Q593 WeakPolarHBondContact O-CG 3.11Å; K589-Q593 PolarHBondContact O-N 3.2Å; H590-Q593 PolarHBondContact O-N 3.49Å; Q593-G595 VanDerWaalsContact C-N 3.26Å; Q593-G595 PolarHBondContact O-N 3.38Å; Q593-D596 PolarHBondContact O-N 2.89Å; Q593-S597 WeakPolarHBondContact O-CB 3.15Å; Q593-S597 PolarHBondContact O-N 3.43Å; Q593-S597 PolarHBondContact O-OG 3.44Å
594L62.3Low56.2Low40 Ų4090.8 Ų90.821%0.20948%0.483CS..Hα-helixtrans-68.6-22.9172-75.5157000113.4K311 H590 Y592 F598K311-L594 HydrophobicContact CD-CD1 4.47Å; K311-L594 VanDerWaalsContact NZ-CD2 3.29Å; H590-L594 WeakPolarHBondContact CE1-CD1 3.33Å; H590-L594 WeakPolarHBondContact ND1-CD1 3.38Å; H590-L594 WeakPolarHBondContact O-CB 3.4Å; H590-L594 VanDerWaalsContact O-CD1 3.25Å; H590-L594 WeakPolarHBondContact O-CD1 3.43Å; H590-L594 VanDerWaalsContact O-CG 3.29Å; H590-L594 WeakPolarHBondContact O-CG 3.2Å; H590-L594 PolarHBondContact O-N 2.91Å; Y592-L594 PolarHBondContact O-N 3.27Å; L594-F598 WeakPolarHBondContact O-CD2 3.42Å
595G47.6Very low54.6Low30 Ų3098.5 Ų98.531%0.30951%0.509SS..Hα-helixtrans-77.9-44.2170.200000112.8H591 Y592 Q593 F598H591-G595 PolarHBondContact O-N 3.08Å; Y592-G595 WeakPolarHBondContact O-CA 3.29Å; Y592-G595 PolarHBondContact O-N 2.87Å; Q593-G595 VanDerWaalsContact C-N 3.26Å; Q593-G595 PolarHBondContact O-N 3.38Å; G595-F598 PolarHBondContact O-N 3.07Å
596D47.3Very low52.5Low108 Ų108105.4 Ų105.458%0.57853%0.534SS*.Hα-helixtrans-72.3-36.2-176.5-73.3-13.9000113Y592 Q593 F598 E599 E600Y592-D596 PolarHBondContact O-N 3.01Å; Y592-D596 VanDerWaalsContact O-N 3.09Å; Q593-D596 PolarHBondContact O-N 2.89Å; D596-F598 PolarHBondContact O-N 2.69Å; D596-E599 PolarHBondContact O-N 3.18Å; D596-E600 PolarHBondContact O-N 3.45Å
597S43.4Very low50Low49 Ų49112 Ų11234%0.34355%0.552SS.*Hα-helixtrans-64.9-19.8177.847.20000113.9Q593Q593-S597 WeakPolarHBondContact O-CB 3.15Å; Q593-S597 PolarHBondContact O-N 3.43Å; Q593-S597 PolarHBondContact O-OG 3.44Å
598F40.9Very low47.9Very low83 Ų83111.4 Ų111.436%0.36456%0.556SS.*Hα-helixtrans-78.2-29.2172.1-98.8-95.7000113L594 G595 D596 T602L594-F598 WeakPolarHBondContact O-CD2 3.42Å; G595-F598 PolarHBondContact O-N 3.07Å; D596-F598 PolarHBondContact O-N 2.69Å; F598-T602 WeakPolarHBondContact O-CG2 3.26Å; F598-T602 PolarHBondContact O-N 3.26Å; F598-T602 PolarHBondContact O-OG1 3.47Å
599E38.1Very low45.9Very low135 Ų135121.4 Ų121.463%0.63159%0.593SS**Hα-helixtrans-76.7-35.1176.1-70.5-167.8167.600111.9D596 Q601 T602 A603D596-E599 PolarHBondContact O-N 3.18Å; E599-Q601 PolarHBondContact O-N 2.93Å; E599-T602 WeakPolarHBondContact CA-OG1 3.33Å; E599-T602 PolarHBondContact O-N 2.67Å; E599-T602 PolarHBondContact O-OG1 3.43Å; E599-A603 VanDerWaalsContact O-CB 3.29Å; E599-A603 WeakPolarHBondContact O-CB 3.47Å; E599-A603 PolarHBondContact O-N 3.18Å
600E39.8Very low43.7Very low153 Ų153118.8 Ų118.872%0.71559%0.593SS**Hα-helixtrans-69.3-32.7177-87.2-174.8156.100113.5D596 V604D596-E600 PolarHBondContact O-N 3.45Å; E600-V604 WeakPolarHBondContact O-CG2 3.31Å
601Q37Very low41.7Very low156 Ų156126.1 Ų126.173%0.72962%0.617SS**Hα-helixtrans-80.2-23.8178.3-70.3-176.211.400113.4E599E599-Q601 PolarHBondContact O-N 2.93Å
602T35.3Very low40.1Very low96 Ų96128.1 Ų128.159%0.58964%0.64SS**Hα-helixtrans-87.1-28.3177.149.60000112.4F598 E599 V604F598-T602 WeakPolarHBondContact O-CG2 3.26Å; F598-T602 PolarHBondContact O-N 3.26Å; F598-T602 PolarHBondContact O-OG1 3.47Å; E599-T602 WeakPolarHBondContact CA-OG1 3.33Å; E599-T602 PolarHBondContact O-N 2.67Å; E599-T602 PolarHBondContact O-OG1 3.43Å; T602-V604 VanDerWaalsContact C-N 3.29Å; T602-V604 PolarHBondContact O-N 3.26Å
603A38.2Very low39Very low83 Ų83126.1 Ų126.169%0.68665%0.652SS**THydrogen-bonded Turntrans-70.9-15.5177.600000115E599E599-A603 VanDerWaalsContact O-CB 3.29Å; E599-A603 WeakPolarHBondContact O-CB 3.47Å; E599-A603 PolarHBondContact O-N 3.18Å
604V40.7Very low37.2Very low123 Ų123131.8 Ų131.875%0.74567%0.668SS**THydrogen-bonded Turntrans-85.1-7.1-177.4178.60000113E600 T602E600-V604 WeakPolarHBondContact O-CG2 3.31Å; T602-V604 VanDerWaalsContact C-N 3.29Å; T602-V604 PolarHBondContact O-N 3.26Å
605R32.1Very low35.6Very low206 Ų206139.5 Ų139.578%0.77770%0.7SS**SBendtrans-125.785.7180-63.3-176.6-178.3-172.32110.8
606H31.4Very low35.8Very low172 Ų172147.4 Ų147.480%0.79675%0.746SS**SBendtrans144.190.9151.6-76.98.9000113.2
607F27.7Very low35.3Very low196 Ų196149.4 Ų149.486%0.8676%0.755SS**  163.6140.6110.8-116.2-97.3000111.1
608P29.1Very low34.8Very low108 Ų108154.7 Ų154.770%0.70178%0.777SS**  trans-77142.9-175.4-3.422.1000112.2S610P608-S610 PolarHBondContact O-N 3.14Å
609R29.3Very low34.5Very low253 Ų253158.7 Ų158.796%0.95580%0.8SS**  trans-62.4108.9168.1-67.9176172.4-145.9-1.6110.7
610S28.9Very low34.3Very low88 Ų88160.1 Ų160.162%0.61581%0.809SS**  trans-171.187.3155.759.90000113P608P608-S610 PolarHBondContact O-N 3.14Å
611W30.4Very low34Very low258 Ų258160.5 Ų160.598%0.97782%0.815SS**  trans-144.276.7152.8-80.989.3000109.2
612S32.2Very low33.7Very low125 Ų125160.8 Ų160.887%0.87482%0.821SS**  trans-80.7113.7152.544.30000107.4
613G36.8Very low33.6Very low65 Ų65165.4 Ų165.467%0.6784%0.838SS**  trans-157.996.4-175.300000112
614R32.1Very low33.3Very low241 Ų241171.8 Ų171.891%0.90985%0.849SS**  trans-45.5140.5172.4-96.8173-95.6-121.7-4.4114.3
615F29.1Very low32.7Very low201 Ų201175.8 Ų175.888%0.88286%0.858SS**  trans-136.2151.1137.2-91.2-80.8000107.4
616P53Low32.7Very low197 Ų197173.1 Ų173.1100%1.27987%0.865SS**  trans-640-154.926.2-35000115.9

Retrieved 616 of 616 residues in 428.4 ms (Link to these results)

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