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Aromatic-L-amino-acid decarboxylase

Catalyzes the decarboxylation of L-3,4-dihydroxyphenylalanine (DOPA) to dopamine and L-5-hydroxytryptophan to serotonin.

AlphaFold DB , UniProt , Accession A0A087WU57, Species HUMAN (Homo sapiens, Human), Gene DDC, Length 432 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
1M93.2Very high97.2Very high155 Ų15597.2 Ų97.276%0.76449%0.486SS*.  0134.30-175.7178-66.600109.6E5 F6 R9 F53M1-E5 HydrophobicContact CE-CG 4.38Å; M1-E5 HydrophobicContact CG-CB 3.86Å; M1-E5 HydrophobicContact CG-CG 3.65Å; M1-E5 HydrophobicContact SD-CG 4.41Å; M1-F6 HydrophobicContact CG-CB 4.37Å; M1-F6 HydrophobicContact SD-CB 4.04Å; M1-F6 HydrophobicContact SD-CD2 4.4Å; M1-R9 HydrophobicContact CE-CB 4.31Å; M1-R9 HydrophobicContact CE-CG 3.9Å; M1-F53 HydrophobicContact CE-CD2 4.26Å
2N95.8Very high97.2Very high106 Ų10694.9 Ų94.957%0.56747%0.473SS*.  trans-106.1-179.1174.969.726.2000111.3S4 E5 F6N2-S4 PolarHBondContact O-N 3.41Å; N2-S4 PolarHBondContact OD1-N 3.24Å; N2-E5 PolarHBondContact O-N 3.02Å; N2-E5 PolarHBondContact OD1-N 3.11Å; N2-F6 WeakPolarHBondContact O-CB 3.13Å; N2-F6 PolarHBondContact O-N 3.13Å
3A97.6Very high97.3Very high69 Ų6992.5 Ų92.557%0.5746%0.46SS*.Hα-helixtrans-63.1-38-175.400000114.5F6 R7A3-F6 PolarHBondContact O-N 3.35Å; A3-R7 WeakPolarHBondContact O-CG 3.08Å; A3-R7 PolarHBondContact O-N 3.42Å
4S98.1Very high97.4Very high95 Ų9590.1 Ų90.166%0.66445%0.453SS*.Hα-helixtrans-66.3-44.5178-60.50000110.9N2 R7 R8N2-S4 PolarHBondContact O-N 3.41Å; N2-S4 PolarHBondContact OD1-N 3.24Å; S4-R7 PolarHBondContact O-N 3.07Å; S4-R8 PolarHBondContact O-N 2.78Å
5E97.1Very high97.4Very high51 Ų5190.6 Ų90.624%0.23846%0.457CS..Hα-helixtrans-64.5-43.8175.6-177.765.4177.700111.2M1 N2 R7 R8 R9M1-E5 HydrophobicContact CE-CG 4.38Å; M1-E5 HydrophobicContact CG-CB 3.86Å; M1-E5 HydrophobicContact CG-CG 3.65Å; M1-E5 HydrophobicContact SD-CG 4.41Å; N2-E5 PolarHBondContact O-N 3.02Å; N2-E5 PolarHBondContact OD1-N 3.11Å; E5-R7 VanDerWaalsContact C-N 3.32Å; E5-R7 PolarHBondContact O-N 2.61Å; E5-R8 PolarHBondContact O-N 3.49Å; E5-R8 VanDerWaalsContact O-N 3.1Å; E5-R8 IonicContact OE1-CZ 3.11Å; E5-R8 IonicContact OE1-NH2 3.9Å; E5-R8 PolarHBondContact OE1-NH2 3.5Å; E5-R8 IonicContact OE2-CZ 3.81Å; E5-R8 VanDerWaalsContact OE2-CZ 3.3Å; E5-R8 IonicContact OE2-NE 2.86Å; E5-R8 PolarHBondContact OE2-NE 2.93Å; E5-R8 IonicContact OE2-NH2 3.32Å; E5-R8 PolarHBondContact OE2-NH2 3.23Å; E5-R9 HydrophobicContact CG-CG 4.21Å; E5-R9 WeakPolarHBondContact O-CG 3.33Å; E5-R9 PolarHBondContact O-N 3.49Å; E5-R9 IonicContact OE1-CZ 3.5Å; E5-R9 IonicContact OE1-NE 2.77Å; E5-R9 PolarHBondContact OE1-NE 3.45Å; E5-R9 IonicContact OE1-NH2 2.81Å; E5-R9 PolarHBondContact OE1-NH2 2.92Å
6F97.6Very high97.4Very high134 Ų13487.8 Ų87.859%0.58844%0.44SS*.Hα-helixtrans-57.1-42.9174.7172.4-101.2000112.4M1 N2 A3 R8 G10M1-F6 HydrophobicContact CG-CB 4.37Å; M1-F6 HydrophobicContact SD-CB 4.04Å; M1-F6 HydrophobicContact SD-CD2 4.4Å; N2-F6 WeakPolarHBondContact O-CB 3.13Å; N2-F6 PolarHBondContact O-N 3.13Å; A3-F6 PolarHBondContact O-N 3.35Å; F6-R8 VanDerWaalsContact C-N 3.3Å; F6-R8 PolarHBondContact O-N 3.08Å; F6-G10 WeakPolarHBondContact O-CA 3.49Å; F6-G10 PolarHBondContact O-N 2.92Å
7R98.4Very high97.4Very high182 Ų18286 Ų8669%0.68743%0.431SS*.Hα-helixtrans-62.6-38.2176.7-75.5177.2-172.5-90.41.6112.2A3 S4 E5 K11A3-R7 WeakPolarHBondContact O-CG 3.08Å; A3-R7 PolarHBondContact O-N 3.42Å; S4-R7 PolarHBondContact O-N 3.07Å; E5-R7 VanDerWaalsContact C-N 3.32Å; E5-R7 PolarHBondContact O-N 2.61Å; R7-K11 WeakPolarHBondContact O-CD 3.39Å; R7-K11 VanDerWaalsContact O-CG 3.27Å; R7-K11 WeakPolarHBondContact O-CG 3.39Å; R7-K11 PolarHBondContact O-N 2.97Å
8R98.2Very high97.4Very high96 Ų9682.7 Ų82.736%0.36242%0.419SS..Hα-helixtrans-69.4-54.3178.1-173.4179.164.392.3-17.5110.7S4 E5 F6 G10 K11 E12S4-R8 PolarHBondContact O-N 2.78Å; E5-R8 PolarHBondContact O-N 3.49Å; E5-R8 VanDerWaalsContact O-N 3.1Å; E5-R8 IonicContact OE1-CZ 3.11Å; E5-R8 IonicContact OE1-NH2 3.9Å; E5-R8 PolarHBondContact OE1-NH2 3.5Å; E5-R8 IonicContact OE2-CZ 3.81Å; E5-R8 VanDerWaalsContact OE2-CZ 3.3Å; E5-R8 IonicContact OE2-NE 2.86Å; E5-R8 PolarHBondContact OE2-NE 2.93Å; E5-R8 IonicContact OE2-NH2 3.32Å; E5-R8 PolarHBondContact OE2-NH2 3.23Å; F6-R8 VanDerWaalsContact C-N 3.3Å; F6-R8 PolarHBondContact O-N 3.08Å; R8-G10 VanDerWaalsContact C-N 3.33Å; R8-G10 PolarHBondContact O-N 3.48Å; R8-K11 WeakPolarHBondContact O-CB 3.47Å; R8-K11 PolarHBondContact O-N 3.45Å; R8-K11 VanDerWaalsContact O-N 3.15Å; R8-E12 WeakPolarHBondContact CG-OE1 3.27Å; R8-E12 IonicContact CZ-OE1 3.01Å; R8-E12 IonicContact NH1-OE1 2.7Å; R8-E12 PolarHBondContact NH1-OE1 3.06Å; R8-E12 IonicContact NH1-OE2 3.3Å; R8-E12 PolarHBondContact O-N 3.42Å; R8-E12 VanDerWaalsContact O-N 3.11Å
9R97.8Very high97.5Very high16 Ų1684.1 Ų84.16%0.0643%0.428CS..Hα-helixtrans-63.4-35.9179-60.2-43.7-173164.46.3113.7M1 E5 K11 E12 M13 F53 E54M1-R9 HydrophobicContact CE-CB 4.31Å; M1-R9 HydrophobicContact CE-CG 3.9Å; E5-R9 HydrophobicContact CG-CG 4.21Å; E5-R9 WeakPolarHBondContact O-CG 3.33Å; E5-R9 PolarHBondContact O-N 3.49Å; E5-R9 IonicContact OE1-CZ 3.5Å; E5-R9 IonicContact OE1-NE 2.77Å; E5-R9 PolarHBondContact OE1-NE 3.45Å; E5-R9 IonicContact OE1-NH2 2.81Å; E5-R9 PolarHBondContact OE1-NH2 2.92Å; R9-K11 VanDerWaalsContact C-N 3.3Å; R9-K11 PolarHBondContact O-N 2.82Å; R9-E12 WeakPolarHBondContact CD-OE2 3.48Å; R9-E12 IonicContact CZ-OE2 3.38Å; R9-E12 IonicContact NE-OE2 2.65Å; R9-E12 IonicContact NH1-OE1 2.78Å; R9-E12 IonicContact NH1-OE2 3.66Å; R9-E12 PolarHBondContact NH1-OE2 2.99Å; R9-E12 PolarHBondContact O-N 3.44Å; R9-M13 WeakPolarHBondContact O-CB 3.44Å; R9-M13 PolarHBondContact O-N 2.87Å; R9-F53 HydrophobicContact CB-CD2 4.31Å; R9-F53 HydrophobicContact CB-CE1 4.36Å; R9-F53 HydrophobicContact CB-CE2 4.12Å; R9-F53 HydrophobicContact CB-CZ 4.13Å; R9-F53 VanDerWaalsContact CD-CD1 3.46Å; R9-F53 HydrophobicContact CG-CB 4.43Å; R9-F53 HydrophobicContact CG-CD1 4.11Å; R9-F53 HydrophobicContact CG-CD2 4.15Å; R9-F53 HydrophobicContact CG-CE1 4.38Å; R9-F53 HydrophobicContact CG-CE2 4.43Å; R9-F53 HydrophobicContact CG-CG 3.97Å; R9-E54 IonicContact CZ-OE1 3.87Å; R9-E54 IonicContact CZ-OE2 3.64Å; R9-E54 IonicContact NH1-OE1 3.11Å; R9-E54 PolarHBondContact NH1-OE1 3.29Å; R9-E54 IonicContact NH1-OE2 2.77Å; R9-E54 IonicContact NH2-OE1 3.07Å; R9-E54 PolarHBondContact NH2-OE1 2.89Å; R9-E54 IonicContact NH2-OE2 3.98Å; R9-E54 PolarHBondContact NH2-OE2 3.31Å
10G97.5Very high97.5Very high21 Ų2181.6 Ų81.622%0.21641%0.413CS..Hα-helixtrans-61.5-39.3175.300000112F6 R8 V14F6-G10 WeakPolarHBondContact O-CA 3.49Å; F6-G10 PolarHBondContact O-N 2.92Å; R8-G10 VanDerWaalsContact C-N 3.33Å; R8-G10 PolarHBondContact O-N 3.48Å; G10-V14 VanDerWaalsContact O-CG2 3.3Å; G10-V14 WeakPolarHBondContact O-CG2 3.39Å; G10-V14 PolarHBondContact O-N 3.4Å
11K98.3Very high97.4Very high144 Ų14478.6 Ų78.663%0.62640%0.398SS*.Hα-helixtrans-67.9-47.1174.2-69.5169.2-177.5-175.30111.6R7 R8 R9 M13 V14 D15R7-K11 WeakPolarHBondContact O-CD 3.39Å; R7-K11 VanDerWaalsContact O-CG 3.27Å; R7-K11 WeakPolarHBondContact O-CG 3.39Å; R7-K11 PolarHBondContact O-N 2.97Å; R8-K11 WeakPolarHBondContact O-CB 3.47Å; R8-K11 PolarHBondContact O-N 3.45Å; R8-K11 VanDerWaalsContact O-N 3.15Å; R9-K11 VanDerWaalsContact C-N 3.3Å; R9-K11 PolarHBondContact O-N 2.82Å; K11-M13 PolarHBondContact O-N 3.46Å; K11-V14 PolarHBondContact O-N 3.48Å; K11-V14 VanDerWaalsContact O-N 3.08Å; K11-D15 PolarHBondContact O-N 3.22Å
12E97.4Very high97.5Very high70 Ų7078 Ų7833%0.32739%0.393SS..Hα-helixtrans-55.2-41.5175.7-69167.2-166.200111.5R8 R9 D15 Y16R8-E12 WeakPolarHBondContact CG-OE1 3.27Å; R8-E12 IonicContact CZ-OE1 3.01Å; R8-E12 IonicContact NH1-OE1 2.7Å; R8-E12 PolarHBondContact NH1-OE1 3.06Å; R8-E12 IonicContact NH1-OE2 3.3Å; R8-E12 PolarHBondContact O-N 3.42Å; R8-E12 VanDerWaalsContact O-N 3.11Å; R9-E12 WeakPolarHBondContact CD-OE2 3.48Å; R9-E12 IonicContact CZ-OE2 3.38Å; R9-E12 IonicContact NE-OE2 2.65Å; R9-E12 IonicContact NH1-OE1 2.78Å; R9-E12 IonicContact NH1-OE2 3.66Å; R9-E12 PolarHBondContact NH1-OE2 2.99Å; R9-E12 PolarHBondContact O-N 3.44Å; E12-D15 PolarHBondContact O-N 3.35Å; E12-Y16 WeakPolarHBondContact O-CB 3.39Å; E12-Y16 PolarHBondContact O-N 2.89Å
13M97.8Very high97.6Very high63 Ų6374.9 Ų74.931%0.3139%0.386SS..Hα-helixtrans-69.2-38.6176.8-175.958.165.300112.8R9 K11 Y16 M17 F53 I57R9-M13 WeakPolarHBondContact O-CB 3.44Å; R9-M13 PolarHBondContact O-N 2.87Å; K11-M13 PolarHBondContact O-N 3.46Å; M13-Y16 PolarHBondContact O-N 2.99Å; M13-Y16 HydrophobicContact SD-CD1 3.95Å; M13-M17 HydrophobicContact CG-CG 4.41Å; M13-M17 HydrophobicContact CG-SD 4.1Å; M13-M17 WeakPolarHBondContact O-CB 3.35Å; M13-M17 VanDerWaalsContact O-CG 3.22Å; M13-M17 WeakPolarHBondContact O-CG 3.31Å; M13-M17 PolarHBondContact O-N 3.5Å; M13-M17 HydrophobicContact SD-CG 4.23Å; M13-F53 HydrophobicContact CE-CE2 4.43Å; M13-F53 HydrophobicContact CE-CZ 4.03Å; M13-I57 HydrophobicContact CE-CD1 3.71Å
14V98.3Very high97.5Very high59 Ų5971.8 Ų71.836%0.35836%0.36SS..Hα-helixtrans-62-45.5174.6166.70000110.6G10 K11 M17 A18 M93G10-V14 VanDerWaalsContact O-CG2 3.3Å; G10-V14 WeakPolarHBondContact O-CG2 3.39Å; G10-V14 PolarHBondContact O-N 3.4Å; K11-V14 PolarHBondContact O-N 3.48Å; K11-V14 VanDerWaalsContact O-N 3.08Å; V14-M17 PolarHBondContact O-N 3.01Å; V14-A18 WeakPolarHBondContact O-CB 3.38Å; V14-A18 PolarHBondContact O-N 3.04Å; V14-M93 HydrophobicContact CG2-CE 3.85Å; V14-M93 HydrophobicContact CG2-SD 4.28Å
15D98.1Very high97.4Very high98 Ų9871 Ų7152%0.52435%0.346SS..Hα-helixtrans-63.1-43.3176.9-66.1-25.3000110.8K11 E12 A18 N19K11-D15 PolarHBondContact O-N 3.22Å; E12-D15 PolarHBondContact O-N 3.35Å; D15-A18 PolarHBondContact O-N 2.95Å; D15-N19 WeakPolarHBondContact O-CB 3.32Å; D15-N19 PolarHBondContact O-N 3.25Å; D15-N19 PolarHBondContact O-ND2 3.43Å; D15-N19 VanDerWaalsContact O-ND2 3.14Å
16Y97.3Very high97.4Very high46 Ų4672.3 Ų72.318%0.1837%0.372CS..Hα-helixtrans-57.9-48.9174.4176.6-96.7000112.6E12 M13 A18 N19 Y20 E61 M65E12-Y16 WeakPolarHBondContact O-CB 3.39Å; E12-Y16 PolarHBondContact O-N 2.89Å; M13-Y16 PolarHBondContact O-N 2.99Å; M13-Y16 HydrophobicContact SD-CD1 3.95Å; Y16-A18 PolarHBondContact O-N 3.48Å; Y16-N19 PolarHBondContact O-N 3.37Å; Y16-Y20 VanDerWaalsContact O-CB 3.29Å; Y16-Y20 WeakPolarHBondContact O-CB 3.28Å; Y16-Y20 PolarHBondContact O-N 2.99Å; Y16-E61 HydrophobicContact CE2-CG 4.11Å; Y16-E61 WeakPolarHBondContact CE2-OE1 3.38Å; Y16-E61 PolarHBondContact OH-OE1 3.17Å; Y16-M65 HydrophobicContact CE1-CE 4.19Å; Y16-M65 WeakPolarHBondContact OH-CE 3.45Å
17M97.6Very high97.2Very high57 Ų5769.3 Ų69.328%0.28136%0.357SS..Hα-helixtrans-62.2-42.8179.4-73.1171.562.100111.9M13 V14 M21 M89M13-M17 HydrophobicContact CG-CG 4.41Å; M13-M17 HydrophobicContact CG-SD 4.1Å; M13-M17 WeakPolarHBondContact O-CB 3.35Å; M13-M17 VanDerWaalsContact O-CG 3.22Å; M13-M17 WeakPolarHBondContact O-CG 3.31Å; M13-M17 PolarHBondContact O-N 3.5Å; M13-M17 HydrophobicContact SD-CG 4.23Å; V14-M17 PolarHBondContact O-N 3.01Å; M17-M21 WeakPolarHBondContact O-CB 3.48Å; M17-M21 WeakPolarHBondContact O-CG 3.33Å; M17-M21 PolarHBondContact O-N 3.42Å; M17-M89 HydrophobicContact CE-CB 4.14Å; M17-M89 HydrophobicContact CE-CG 4.12Å; M17-M89 HydrophobicContact CE-SD 3.62Å
18A98Very high97Very high27 Ų2764.9 Ų64.922%0.22334%0.344CS..Hα-helixtrans-63.1-50.1176.800000111V14 D15 Y16 Y20 M21 E22V14-A18 WeakPolarHBondContact O-CB 3.38Å; V14-A18 PolarHBondContact O-N 3.04Å; D15-A18 PolarHBondContact O-N 2.95Å; Y16-A18 PolarHBondContact O-N 3.48Å; A18-Y20 VanDerWaalsContact C-N 3.33Å; A18-Y20 PolarHBondContact O-N 2.84Å; A18-M21 PolarHBondContact O-N 3.33Å; A18-E22 WeakPolarHBondContact O-CB 3.26Å; A18-E22 WeakPolarHBondContact O-CG 3.36Å; A18-E22 PolarHBondContact O-N 3.43Å
19N97.8Very high96.9Very high108 Ų10860.4 Ų60.458%0.57833%0.327SS*.Hα-helixtrans-60.3-41.2177.6-70.1-25.7000112.2D15 Y16 G23D15-N19 WeakPolarHBondContact O-CB 3.32Å; D15-N19 PolarHBondContact O-N 3.25Å; D15-N19 PolarHBondContact O-ND2 3.43Å; D15-N19 VanDerWaalsContact O-ND2 3.14Å; Y16-N19 PolarHBondContact O-N 3.37Å; N19-G23 WeakPolarHBondContact O-CA 3.38Å; N19-G23 PolarHBondContact O-N 3.03Å
20Y97.6Very high96.8Very high35 Ų3564.3 Ų64.314%0.13734%0.343CS..Hα-helixtrans-61.1-48.4174.9167.2-103.8000111.2Y16 A18 I24 M65 H70Y16-Y20 VanDerWaalsContact O-CB 3.29Å; Y16-Y20 WeakPolarHBondContact O-CB 3.28Å; Y16-Y20 PolarHBondContact O-N 2.99Å; A18-Y20 VanDerWaalsContact C-N 3.33Å; A18-Y20 PolarHBondContact O-N 2.84Å; Y20-I24 HydrophobicContact CE1-CD1 3.94Å; Y20-I24 HydrophobicContact CE2-CD1 4.27Å; Y20-I24 HydrophobicContact CE2-CG1 4.34Å; Y20-I24 WeakPolarHBondContact O-CA 3.3Å; Y20-I24 VanDerWaalsContact O-CB 3.26Å; Y20-I24 WeakPolarHBondContact O-CB 3.26Å; Y20-I24 PolarHBondContact O-N 3.18Å; Y20-M65 HydrophobicContact CD2-CE 4.24Å; Y20-M65 HydrophobicContact CE2-CE 4.16Å; Y20-M65 HydrophobicContact CE2-SD 4.08Å; Y20-H70 AromaticContact CE2-CE1 3.74Å; Y20-H70 AromaticContact CE2-ND1 3.65Å; Y20-H70 AromaticContact CZ-ND1 3.67Å; Y20-H70 PolarHBondContact OH-ND1 3.05Å
21M96.4Very high96.6Very high19 Ų1964.2 Ų64.29%0.09434%0.338CS..Hα-helixtrans-68.3-36.8-177.6-71.2-69.2-69.400112.8M17 A18 I24 H72 Y86 M89M17-M21 WeakPolarHBondContact O-CB 3.48Å; M17-M21 WeakPolarHBondContact O-CG 3.33Å; M17-M21 PolarHBondContact O-N 3.42Å; A18-M21 PolarHBondContact O-N 3.33Å; M21-I24 VanDerWaalsContact O-CG2 3.29Å; M21-I24 WeakPolarHBondContact O-CG2 3.33Å; M21-H72 HydrophobicContact CE-CB 4.24Å; M21-H72 HydrophobicContact SD-CB 4.32Å; M21-Y86 HydrophobicContact CB-CE1 4.27Å; M21-Y86 HydrophobicContact CG-CE1 4.33Å; M21-M89 HydrophobicContact CE-CE 3.96Å; M21-M89 HydrophobicContact CG-CE 4.29Å; M21-M89 HydrophobicContact SD-CE 4.01Å
22E95.8Very high96.4Very high143 Ų14362.4 Ų62.467%0.66834%0.336SS*.Hα-helixtrans-76.8-38.1177.5-69.5-179.3179.600112.1A18 I24A18-E22 WeakPolarHBondContact O-CB 3.26Å; A18-E22 WeakPolarHBondContact O-CG 3.36Å; A18-E22 PolarHBondContact O-N 3.43Å; E22-I24 VanDerWaalsContact C-N 3.35Å
23G96.6Very high96.4Very high40 Ų4061.4 Ų61.441%0.41233%0.334SS..SBendtrans-85.20.9177.900000115N19 E25 G26N19-G23 WeakPolarHBondContact O-CA 3.38Å; N19-G23 PolarHBondContact O-N 3.03Å; G23-E25 PolarHBondContact O-N 2.76Å; G23-E25 VanDerWaalsContact O-N 3.16Å; G23-G26 PolarHBondContact O-N 3.37Å
24I96.9Very high96.3Very high3 Ų365.4 Ų65.42%0.01535%0.352CS..G310 helixtrans-62.5-26.2-170.8-158.1166.9000113.5Y20 M21 E22 G26 R27 H70 H72Y20-I24 HydrophobicContact CE1-CD1 3.94Å; Y20-I24 HydrophobicContact CE2-CD1 4.27Å; Y20-I24 HydrophobicContact CE2-CG1 4.34Å; Y20-I24 WeakPolarHBondContact O-CA 3.3Å; Y20-I24 VanDerWaalsContact O-CB 3.26Å; Y20-I24 WeakPolarHBondContact O-CB 3.26Å; Y20-I24 PolarHBondContact O-N 3.18Å; M21-I24 VanDerWaalsContact O-CG2 3.29Å; M21-I24 WeakPolarHBondContact O-CG2 3.33Å; E22-I24 VanDerWaalsContact C-N 3.35Å; I24-G26 PolarHBondContact O-N 3.02Å; I24-R27 PolarHBondContact O-N 3.04Å; I24-R27 VanDerWaalsContact O-N 3.11Å; I24-H70 HydrophobicContact CD1-CB 4.06Å; I24-H70 HydrophobicContact CG1-CB 4.09Å; I24-H72 HydrophobicContact CD1-CB 3.78Å
25E95.8Very high96.3Very high80 Ų8068.7 Ų68.737%0.37437%0.374SS..G310 helixtrans-60.2-32.5175.7-174.1-178.6166.600111.7G23 R27 P74 Y75 H411 R414G23-E25 PolarHBondContact O-N 2.76Å; G23-E25 VanDerWaalsContact O-N 3.16Å; E25-R27 VanDerWaalsContact C-N 3.27Å; E25-R27 PolarHBondContact O-N 3.2Å; E25-P74 HydrophobicContact CB-CG 3.98Å; E25-P74 HydrophobicContact CG-CG 3.9Å; E25-Y75 HydrophobicContact CG-CD2 4.28Å; E25-Y75 HydrophobicContact CG-CE2 3.66Å; E25-H411 IonicContact OE1-CD2 2.93Å; E25-H411 IonicContact OE1-NE2 2.63Å; E25-H411 IonicContact OE2-NE2 3.31Å; E25-H411 PolarHBondContact OE2-NE2 3.12Å; E25-R414 IonicContact OE1-CZ 3.24Å; E25-R414 IonicContact OE1-NH1 3.7Å; E25-R414 PolarHBondContact OE1-NH1 2.67Å; E25-R414 VanDerWaalsContact OE1-NH1 3.11Å; E25-R414 IonicContact OE1-NH2 3.86Å; E25-R414 PolarHBondContact OE1-NH2 3.17Å
26G95.5Very high96.3Very high77 Ų7766.6 Ų66.679%0.79438%0.376SS*.G310 helixtrans-78.1-5.9178.200000114.6G23 I24G23-G26 PolarHBondContact O-N 3.37Å; I24-G26 PolarHBondContact O-N 3.02Å
27R95.1Very high96.3Very high71 Ų7167.6 Ų67.627%0.26838%0.38SS..SBendtrans-95.8145.8179.6-61.6-171.6177.7-114.97111.3I24 E25 V29 E61I24-R27 PolarHBondContact O-N 3.04Å; I24-R27 VanDerWaalsContact O-N 3.11Å; E25-R27 VanDerWaalsContact C-N 3.27Å; E25-R27 PolarHBondContact O-N 3.2Å; R27-V29 PolarHBondContact O-N 3.26Å; R27-E61 IonicContact CZ-OE1 2.59Å; R27-E61 IonicContact CZ-OE2 2.81Å; R27-E61 IonicContact NH1-OE1 3.96Å; R27-E61 IonicContact NH1-OE2 2.95Å; R27-E61 PolarHBondContact NH1-OE2 2.97Å; R27-E61 IonicContact NH2-OE1 3.43Å; R27-E61 PolarHBondContact NH2-OE1 3.18Å; R27-E61 IonicContact NH2-OE2 2.95Å; R27-E61 PolarHBondContact NH2-OE2 2.77Å
28Q94.4Very high96.3Very high89 Ų8967.7 Ų67.742%0.41638%0.381SS..  trans-65.9120.7176.8-174.2-177.4-82.300110.9Y30 H70 K383Q28-Y30 WeakPolarHBondContact CG-O 3.22Å; Q28-Y30 PolarHBondContact NE2-O 2.92Å; Q28-Y30 PolarHBondContact O-N 2.98Å; Q28-H70 PolarHBondContact O-CD2 3.33Å; Q28-K383 HydrophobicContact CG-CB 3.72Å
29V95.4Very high96.3Very high2 Ų274.1 Ų74.11%0.01240%0.4CS..SBendtrans-60.4-49.7-170.2-1740000113.2R27 T69 H70 Y75 F76 H386R27-V29 PolarHBondContact O-N 3.26Å; V29-T69 CarbonylContact O-C 3.59Å; V29-T69 WeakPolarHBondContact O-CA 3.31Å; V29-H70 PolarHBondContact O-N 3.2Å; V29-Y75 VanDerWaalsContact CG2-CB 3.49Å; V29-F76 HydrophobicContact CG1-CB 3.79Å; V29-F76 HydrophobicContact CG1-CD2 3.92Å; V29-F76 HydrophobicContact CG1-CG 4.35Å; V29-H386 HydrophobicContact CG1-CB 3.83Å
30Y94.4Very high96.2Very high99 Ų9974.1 Ų74.139%0.38841%0.406SS..SBendtrans-108.3130.1-177.1-168.8-105.2000109.2Q28 T69 H386Q28-Y30 WeakPolarHBondContact CG-O 3.22Å; Q28-Y30 PolarHBondContact NE2-O 2.92Å; Q28-Y30 PolarHBondContact O-N 2.98Å; Y30-T69 HydrophobicContact CD2-CG2 4.21Å; Y30-H386 AromaticContact CD2-CD2 3.96Å; Y30-H386 AromaticContact CD2-CE1 3.48Å; Y30-H386 VanDerWaalsContact CD2-CE1 3.48Å; Y30-H386 WeakPolarHBondContact CD2-CE1 3.5Å; Y30-H386 AromaticContact CD2-CG 3.97Å; Y30-H386 AromaticContact CD2-ND1 3.68Å; Y30-H386 AromaticContact CD2-NE2 3.67Å; Y30-H386 AromaticContact CE2-CE1 3.65Å; Y30-H386 AromaticContact CE2-NE2 3.86Å; Y30-H386 AromaticContact CG-ND1 3.95Å
31P95.3Very high96.2Very high18 Ų1876.7 Ų76.712%0.11742%0.422CS..  trans-70.6156.7-169.429.8-36.6000112.5V33 P66 T69P31-V33 HydrophobicContact CB-CG2 4.08Å; P31-V33 HydrophobicContact CG-CG2 4.37Å; P31-P66 WeakPolarHBondContact CB-O 3.24Å; P31-T69 VanDerWaalsContact CD-OG1 3.26Å; P31-T69 WeakPolarHBondContact CD-OG1 3.37Å
32D94.1Very high96.2Very high107 Ų10779.3 Ų79.357%0.57244%0.435SS*.  trans-107.364.7176.6-168.122.4000110.8K383D32-K383 HydrophobicContact CB-CD 4.47Å; D32-K383 IonicContact OD1-NZ 2.76Å; D32-K383 PolarHBondContact OD1-NZ 3.1Å; D32-K383 IonicContact OD2-NZ 3.78Å; D32-K383 PolarHBondContact OD2-NZ 3.34Å
33V96.1Very high96.2Very high48 Ų4877 Ų7729%0.29143%0.433SS..  trans-138.8150.4-176.4-59.90000110.5P31 Y37P31-V33 HydrophobicContact CB-CG2 4.08Å; P31-V33 HydrophobicContact CG-CG2 4.37Å; V33-Y37 HydrophobicContact CB-CD1 3.57Å; V33-Y37 HydrophobicContact CB-CD2 4Å; V33-Y37 HydrophobicContact CB-CE1 4.06Å; V33-Y37 HydrophobicContact CB-CE2 4.44Å; V33-Y37 HydrophobicContact CB-CG 3.56Å; V33-Y37 HydrophobicContact CG1-CD1 4.16Å; V33-Y37 HydrophobicContact CG1-CD2 3.72Å; V33-Y37 HydrophobicContact CG1-CE1 4.39Å; V33-Y37 HydrophobicContact CG1-CE2 3.97Å; V33-Y37 HydrophobicContact CG1-CG 3.85Å; V33-Y37 HydrophobicContact CG2-CD1 3.53Å; V33-Y37 HydrophobicContact CG2-CE1 3.62Å; V33-Y37 HydrophobicContact CG2-CG 4.07Å
34E96.4Very high96.3Very high147 Ų14779.2 Ų79.269%0.68745%0.447SS*.  trans-97.3155.6176.1-67.9-59.5148.100111.7G36 Y37E34-G36 PolarHBondContact O-N 3.08Å; E34-Y37 WeakPolarHBondContact O-CB 3.46Å; E34-Y37 PolarHBondContact O-N 3.05Å
35P98Very high96.3Very high128 Ų12882.6 Ų82.683%0.83148%0.476SS*.THydrogen-bonded Turntrans-50.8124.8173.8-27.635.9000112
36G97.2Very high96.4Very high55 Ų5582.6 Ų82.657%0.56749%0.489SS*.THydrogen-bonded Turntrans94.3-3.9-178.400000115.9E34 L38 R39 P40E34-G36 PolarHBondContact O-N 3.08Å; G36-L38 PolarHBondContact O-N 2.92Å; G36-R39 PolarHBondContact O-N 2.95Å; G36-R39 VanDerWaalsContact O-N 3.17Å; G36-P40 VanDerWaalsContact O-CD 3.28Å; G36-P40 WeakPolarHBondContact O-CD 3.42Å
37Y97.8Very high96.5Very high67 Ų6782.8 Ų82.826%0.26348%0.477SS..THydrogen-bonded Turntrans-52.2-32.1-178.484.2-78.9000114.4V33 E34 P40 L41 G67V33-Y37 HydrophobicContact CB-CD1 3.57Å; V33-Y37 HydrophobicContact CB-CD2 4Å; V33-Y37 HydrophobicContact CB-CE1 4.06Å; V33-Y37 HydrophobicContact CB-CE2 4.44Å; V33-Y37 HydrophobicContact CB-CG 3.56Å; V33-Y37 HydrophobicContact CG1-CD1 4.16Å; V33-Y37 HydrophobicContact CG1-CD2 3.72Å; V33-Y37 HydrophobicContact CG1-CE1 4.39Å; V33-Y37 HydrophobicContact CG1-CE2 3.97Å; V33-Y37 HydrophobicContact CG1-CG 3.85Å; V33-Y37 HydrophobicContact CG2-CD1 3.53Å; V33-Y37 HydrophobicContact CG2-CE1 3.62Å; V33-Y37 HydrophobicContact CG2-CG 4.07Å; E34-Y37 WeakPolarHBondContact O-CB 3.46Å; E34-Y37 PolarHBondContact O-N 3.05Å; Y37-P40 VanDerWaalsContact O-CD 3.32Å; Y37-P40 WeakPolarHBondContact O-CD 3.38Å; Y37-P40 WeakPolarHBondContact O-CG 3.48Å; Y37-L41 HydrophobicContact CD2-CD1 4.27Å; Y37-G67 WeakPolarHBondContact OH-CA 3.22Å
38L97.8Very high96.7Very high58 Ų5888 Ų8830%0.30450%0.504SS..THydrogen-bonded Turntrans-75.7-33.5-174.4-172.162.5000112.8G36 L41 I42 I63 I64G36-L38 PolarHBondContact O-N 2.92Å; L38-L41 WeakPolarHBondContact O-CB 3.29Å; L38-L41 PolarHBondContact O-N 2.85Å; L38-I42 HydrophobicContact CD1-CD1 4.38Å; L38-I42 HydrophobicContact CD1-CG1 4.1Å; L38-I42 HydrophobicContact CG-CG1 4.07Å; L38-I42 PolarHBondContact O-N 2.9Å; L38-I63 HydrophobicContact CD1-CG2 3.33Å; L38-I64 HydrophobicContact CD1-CD1 4.27Å
39R97.5Very high96.8Very high162 Ų16290.9 Ų90.961%0.61152%0.517SS*.G310 helixtrans-57.2-45.7-174.6-177.858.7178.2169.52.4113.8G36 L41G36-R39 PolarHBondContact O-N 2.95Å; G36-R39 VanDerWaalsContact O-N 3.17Å; R39-L41 PolarHBondContact O-N 2.91Å
40P97.1Very high96.9Very high109 Ų10996.3 Ų96.371%0.70855%0.553SS**G310 helixtrans-71-12.6177.728.5-36.7000114G36 Y37G36-P40 VanDerWaalsContact O-CD 3.28Å; G36-P40 WeakPolarHBondContact O-CD 3.42Å; Y37-P40 VanDerWaalsContact O-CD 3.32Å; Y37-P40 WeakPolarHBondContact O-CD 3.38Å; Y37-P40 WeakPolarHBondContact O-CG 3.48Å
41L97.1Very high97Very high89 Ų8996.2 Ų96.247%0.46656%0.559SS.*G310 helixtrans-91.6-14.7-179.5-57.2178.1000113.2Y37 L38 R39 I63Y37-L41 HydrophobicContact CD2-CD1 4.27Å; L38-L41 WeakPolarHBondContact O-CB 3.29Å; L38-L41 PolarHBondContact O-N 2.85Å; R39-L41 PolarHBondContact O-N 2.91Å; L41-I63 HydrophobicContact CB-CD1 4.42Å; L41-I63 HydrophobicContact CB-CG2 3.72Å; L41-I63 HydrophobicContact CD1-CG2 3.95Å
42I96.2Very high97.1Very high73 Ų7398.6 Ų98.637%0.37457%0.573SS.*SBendtrans-109.3137.5-177.6-58.8-64.3000109.5L38 I63L38-I42 HydrophobicContact CD1-CD1 4.38Å; L38-I42 HydrophobicContact CD1-CG1 4.1Å; L38-I42 HydrophobicContact CG-CG1 4.07Å; L38-I42 PolarHBondContact O-N 2.9Å; I42-I63 HydrophobicContact CD1-CG2 3.96Å
43P96.4Very high97.1Very high95 Ų9595.5 Ų95.562%0.61756%0.555SS**  trans-51.8146.3173.8-28.336000113.2A45P43-A45 PolarHBondContact O-N 2.76Å
44A97.6Very high97.1Very high86 Ų8696.9 Ų96.971%0.71156%0.558SS**SBendtrans-66.2-22.1-175.500000113.8
45A98.1Very high97.1Very high75 Ų7593.4 Ų93.462%0.6254%0.544SS*.SBendtrans-137158.8178.800000110.5P43P43-A45 PolarHBondContact O-N 2.76Å
46A97.9Very high97Very high79 Ų7991.7 Ų91.765%0.65353%0.527SS*.  trans-63.9147.3174.800000111.3
47P97.6Very high96.9Very high82 Ų8290.8 Ų90.853%0.53251%0.509SS..  trans-67.2143.5-179.332.5-38.1000110.5E49P47-E49 WeakPolarHBondContact CB-O 3.37Å
48Q98.2Very high96.8Very high180 Ų18092.5 Ų92.584%0.84152%0.522SS*.SBendtrans-78.6-34.4176.4-64.7-59.2-60.700111.6
49E97.8Very high96.8Very high149 Ų14993 Ų9370%0.69653%0.525SS*.SBendtrans-107.8152.4176.4-64.7-57.3149.100109.7P47 D51P47-E49 WeakPolarHBondContact CB-O 3.37Å; E49-D51 PolarHBondContact O-N 3.01Å
50P96.6Very high96.8Very high116 Ų11687 Ų8775%0.75351%0.506SS*.PPolyproline II helixtrans-69.3130.3-177.827.8-34.4000112
51D96.8Very high96.6Very high98 Ų9884.8 Ų84.852%0.52449%0.487SS..PPolyproline II helixtrans-69.6159.9164.7-63.4-40.3000111.1E49 D55E49-D51 PolarHBondContact O-N 3.01Å; D51-D55 HydrophobicContact CB-CB 4.38Å
52T96Very high96.6Very high67 Ų6788 Ų8841%0.41150%0.497SS..PPolyproline II helixtrans-79.3160.9174.5740000111.3E54 D55 I56T52-E54 VanDerWaalsContact C-N 3.25Å; T52-E54 PolarHBondContact O-N 3.04Å; T52-D55 WeakPolarHBondContact CB-OD2 3.41Å; T52-D55 PolarHBondContact N-OD2 2.67Å; T52-D55 PolarHBondContact O-N 3.47Å; T52-D55 PolarHBondContact OG1-N 3.44Å; T52-D55 PolarHBondContact OG1-OD2 3.15Å; T52-I56 WeakPolarHBondContact O-CG1 3.36Å; T52-I56 PolarHBondContact O-N 2.87Å
53F95.4Very high96.6Very high42 Ų4285 Ų8518%0.18448%0.482CS..Hα-helixtrans-64.7-34.4174.4179.8-90.4000111.5M1 R9 M13 D55 I56 I57M1-F53 HydrophobicContact CE-CD2 4.26Å; R9-F53 HydrophobicContact CB-CD2 4.31Å; R9-F53 HydrophobicContact CB-CE1 4.36Å; R9-F53 HydrophobicContact CB-CE2 4.12Å; R9-F53 HydrophobicContact CB-CZ 4.13Å; R9-F53 VanDerWaalsContact CD-CD1 3.46Å; R9-F53 HydrophobicContact CG-CB 4.43Å; R9-F53 HydrophobicContact CG-CD1 4.11Å; R9-F53 HydrophobicContact CG-CD2 4.15Å; R9-F53 HydrophobicContact CG-CE1 4.38Å; R9-F53 HydrophobicContact CG-CE2 4.43Å; R9-F53 HydrophobicContact CG-CG 3.97Å; M13-F53 HydrophobicContact CE-CE2 4.43Å; M13-F53 HydrophobicContact CE-CZ 4.03Å; F53-D55 VanDerWaalsContact C-N 3.35Å; F53-I56 PolarHBondContact O-N 3.07Å; F53-I57 HydrophobicContact CD1-CG2 4.43Å; F53-I57 HydrophobicContact CE1-CB 4.21Å; F53-I57 HydrophobicContact CE1-CG2 4.32Å; F53-I57 PolarHBondContact O-N 2.99Å
54E95.7Very high96.7Very high77 Ų7783.9 Ų83.936%0.3647%0.47SS..Hα-helixtrans-57.9-46173.6-75.475.3-170.100111.8R9 T52 I56 I57 N58R9-E54 IonicContact CZ-OE1 3.87Å; R9-E54 IonicContact CZ-OE2 3.64Å; R9-E54 IonicContact NH1-OE1 3.11Å; R9-E54 PolarHBondContact NH1-OE1 3.29Å; R9-E54 IonicContact NH1-OE2 2.77Å; R9-E54 IonicContact NH2-OE1 3.07Å; R9-E54 PolarHBondContact NH2-OE1 2.89Å; R9-E54 IonicContact NH2-OE2 3.98Å; R9-E54 PolarHBondContact NH2-OE2 3.31Å; T52-E54 VanDerWaalsContact C-N 3.25Å; T52-E54 PolarHBondContact O-N 3.04Å; E54-I56 VanDerWaalsContact C-N 3.32Å; E54-I56 PolarHBondContact O-N 3.29Å; E54-I57 WeakPolarHBondContact O-CG2 3.41Å; E54-I57 PolarHBondContact O-N 2.97Å; E54-N58 VanDerWaalsContact O-CB 3.25Å; E54-N58 WeakPolarHBondContact O-CB 3.21Å; E54-N58 PolarHBondContact O-N 3.29Å; E54-N58 PolarHBondContact O-ND2 2.92Å
55D95.8Very high96.7Very high75 Ų7581 Ų8140%0.40144%0.442SS..Hα-helixtrans-59.3-47.5178.2-58.2-41.1000110.2D51 T52 F53 N58 D59D51-D55 HydrophobicContact CB-CB 4.38Å; T52-D55 WeakPolarHBondContact CB-OD2 3.41Å; T52-D55 PolarHBondContact N-OD2 2.67Å; T52-D55 PolarHBondContact O-N 3.47Å; T52-D55 PolarHBondContact OG1-N 3.44Å; T52-D55 PolarHBondContact OG1-OD2 3.15Å; F53-D55 VanDerWaalsContact C-N 3.35Å; D55-N58 PolarHBondContact O-N 2.92Å; D55-D59 PolarHBondContact O-N 3.16Å
56I96.4Very high96.6Very high92 Ų9280.4 Ų80.447%0.47243%0.432SS..Hα-helixtrans-62.5-48.3-179.7-62.4168.4000111.5T52 F53 E54 N58 D59 V60T52-I56 WeakPolarHBondContact O-CG1 3.36Å; T52-I56 PolarHBondContact O-N 2.87Å; F53-I56 PolarHBondContact O-N 3.07Å; E54-I56 VanDerWaalsContact C-N 3.32Å; E54-I56 PolarHBondContact O-N 3.29Å; I56-N58 VanDerWaalsContact C-N 3.34Å; I56-N58 PolarHBondContact O-N 3.49Å; I56-D59 PolarHBondContact O-N 2.99Å; I56-V60 WeakPolarHBondContact O-CG2 3.36Å; I56-V60 PolarHBondContact O-N 2.91Å
57I95.6Very high96.6Very high36 Ų3677.7 Ų77.719%0.18541%0.411CS..Hα-helixtrans-71.3-31.3-176.5-160.864000112.1M13 F53 E54 V60 E61M13-I57 HydrophobicContact CE-CD1 3.71Å; F53-I57 HydrophobicContact CD1-CG2 4.43Å; F53-I57 HydrophobicContact CE1-CB 4.21Å; F53-I57 HydrophobicContact CE1-CG2 4.32Å; F53-I57 PolarHBondContact O-N 2.99Å; E54-I57 WeakPolarHBondContact O-CG2 3.41Å; E54-I57 PolarHBondContact O-N 2.97Å; I57-V60 HydrophobicContact CD1-CB 4.36Å; I57-V60 HydrophobicContact CD1-CG2 4.46Å; I57-V60 WeakPolarHBondContact O-CB 3.2Å; I57-V60 PolarHBondContact O-N 2.92Å; I57-E61 PolarHBondContact O-N 3.41Å
58N95.9Very high96.6Very high102 Ų10275.8 Ų75.855%0.54540%0.398SS..Hα-helixtrans-64.5-42.2171.9-72.7-28.4000111E54 D55 I56 V60 E61 K62E54-N58 VanDerWaalsContact O-CB 3.25Å; E54-N58 WeakPolarHBondContact O-CB 3.21Å; E54-N58 PolarHBondContact O-N 3.29Å; E54-N58 PolarHBondContact O-ND2 2.92Å; D55-N58 PolarHBondContact O-N 2.92Å; I56-N58 VanDerWaalsContact C-N 3.34Å; I56-N58 PolarHBondContact O-N 3.49Å; N58-V60 VanDerWaalsContact C-N 3.32Å; N58-V60 PolarHBondContact O-N 3.17Å; N58-E61 PolarHBondContact O-N 2.77Å; N58-K62 VanDerWaalsContact O-CB 3.28Å; N58-K62 WeakPolarHBondContact O-CB 3.38Å; N58-K62 PolarHBondContact O-N 3.01Å
59D97.6Very high96.6Very high69 Ų6968.9 Ų68.937%0.36937%0.368SS..Hα-helixtrans-67.5-30.7175.4-80.6-8000112.5D55 I56 E61 K62 I63 I64D55-D59 PolarHBondContact O-N 3.16Å; I56-D59 PolarHBondContact O-N 2.99Å; D59-E61 PolarHBondContact O-N 3.19Å; D59-K62 PolarHBondContact O-N 3.43Å; D59-I63 HydrophobicContact CB-CD1 3.92Å; D59-I63 HydrophobicContact CB-CG1 4.39Å; D59-I63 WeakPolarHBondContact O-CA 3.5Å; D59-I63 WeakPolarHBondContact O-CB 3.39Å; D59-I63 PolarHBondContact O-N 2.88Å; D59-I63 WeakPolarHBondContact OD1-CD1 3.28Å; D59-I64 PolarHBondContact O-N 2.85Å
60V97.1Very high96.6Very high35 Ų3562.1 Ų62.121%0.21234%0.337CS..Iπ-helixtrans-57.4-50.5172.9168.60000111.1I56 I57 N58 I64 M65I56-V60 WeakPolarHBondContact O-CG2 3.36Å; I56-V60 PolarHBondContact O-N 2.91Å; I57-V60 HydrophobicContact CD1-CB 4.36Å; I57-V60 HydrophobicContact CD1-CG2 4.46Å; I57-V60 WeakPolarHBondContact O-CB 3.2Å; I57-V60 PolarHBondContact O-N 2.92Å; N58-V60 VanDerWaalsContact C-N 3.32Å; N58-V60 PolarHBondContact O-N 3.17Å; V60-I64 WeakPolarHBondContact O-CA 3.46Å; V60-I64 VanDerWaalsContact O-CB 3.32Å; V60-I64 WeakPolarHBondContact O-CB 3.24Å; V60-I64 PolarHBondContact O-N 2.87Å; V60-I64 VanDerWaalsContact O-N 3.15Å; V60-M65 HydrophobicContact CG1-CE 4.11Å; V60-M65 HydrophobicContact CG1-CG 4.33Å; V60-M65 WeakPolarHBondContact O-CG 3.16Å; V60-M65 PolarHBondContact O-N 3.31Å
61E93.9Very high96.6Very high63 Ų6361 Ų6129%0.29432%0.317SS..Iπ-helixtrans-72.9-36.4179.2-76.8-66.5170.400113Y16 R27 I57 N58 D59 M65 P66Y16-E61 HydrophobicContact CE2-CG 4.11Å; Y16-E61 WeakPolarHBondContact CE2-OE1 3.38Å; Y16-E61 PolarHBondContact OH-OE1 3.17Å; R27-E61 IonicContact CZ-OE1 2.59Å; R27-E61 IonicContact CZ-OE2 2.81Å; R27-E61 IonicContact NH1-OE1 3.96Å; R27-E61 IonicContact NH1-OE2 2.95Å; R27-E61 PolarHBondContact NH1-OE2 2.97Å; R27-E61 IonicContact NH2-OE1 3.43Å; R27-E61 PolarHBondContact NH2-OE1 3.18Å; R27-E61 IonicContact NH2-OE2 2.95Å; R27-E61 PolarHBondContact NH2-OE2 2.77Å; I57-E61 PolarHBondContact O-N 3.41Å; N58-E61 PolarHBondContact O-N 2.77Å; D59-E61 PolarHBondContact O-N 3.19Å; E61-M65 WeakPolarHBondContact OE2-CG 3.49Å; E61-P66 WeakPolarHBondContact O-CD 3.28Å
62K96.3Very high96.7Very high158 Ų15858.3 Ų58.369%0.68730%0.302SS*.Iπ-helixtrans-78.7-36.4-175.5-178.2-176.8173.5-169.70113.5N58 D59 P66N58-K62 VanDerWaalsContact O-CB 3.28Å; N58-K62 WeakPolarHBondContact O-CB 3.38Å; N58-K62 PolarHBondContact O-N 3.01Å; D59-K62 PolarHBondContact O-N 3.43Å; K62-P66 WeakPolarHBondContact O-CG 3.5Å
63I97.1Very high96.8Very high10 Ų1055.1 Ų55.15%0.05128%0.282CS..Iπ-helixtrans-116.3-41.2-165.9-55.1179.5000111.2L38 L41 I42 D59L38-I63 HydrophobicContact CD1-CG2 3.33Å; L41-I63 HydrophobicContact CB-CD1 4.42Å; L41-I63 HydrophobicContact CB-CG2 3.72Å; L41-I63 HydrophobicContact CD1-CG2 3.95Å; I42-I63 HydrophobicContact CD1-CG2 3.96Å; D59-I63 HydrophobicContact CB-CD1 3.92Å; D59-I63 HydrophobicContact CB-CG1 4.39Å; D59-I63 WeakPolarHBondContact O-CA 3.5Å; D59-I63 WeakPolarHBondContact O-CB 3.39Å; D59-I63 PolarHBondContact O-N 2.88Å; D59-I63 WeakPolarHBondContact OD1-CD1 3.28Å
64I97.9Very high96.9Very high70 Ų7053.2 Ų53.236%0.35927%0.274SS..Iπ-helixtrans-84.6-58.1-176.3-53.9-58.6000111.2L38 D59 V60 P66 G67 V68L38-I64 HydrophobicContact CD1-CD1 4.27Å; D59-I64 PolarHBondContact O-N 2.85Å; V60-I64 WeakPolarHBondContact O-CA 3.46Å; V60-I64 VanDerWaalsContact O-CB 3.32Å; V60-I64 WeakPolarHBondContact O-CB 3.24Å; V60-I64 PolarHBondContact O-N 2.87Å; V60-I64 VanDerWaalsContact O-N 3.15Å; I64-P66 VanDerWaalsContact C-N 3.33Å; I64-G67 PolarHBondContact O-N 2.98Å; I64-V68 HydrophobicContact CG2-CG2 4.04Å; I64-V68 PolarHBondContact O-N 3.05Å
65M97.3Very high97Very high25 Ų2551 Ų5112%0.12326%0.262CS..G310 helixtrans-53.9-36.2-173.5-73.5-59.517600115Y16 Y20 V60 E61 G67 V68Y16-M65 HydrophobicContact CE1-CE 4.19Å; Y16-M65 WeakPolarHBondContact OH-CE 3.45Å; Y20-M65 HydrophobicContact CD2-CE 4.24Å; Y20-M65 HydrophobicContact CE2-CE 4.16Å; Y20-M65 HydrophobicContact CE2-SD 4.08Å; V60-M65 HydrophobicContact CG1-CE 4.11Å; V60-M65 HydrophobicContact CG1-CG 4.33Å; V60-M65 WeakPolarHBondContact O-CG 3.16Å; V60-M65 PolarHBondContact O-N 3.31Å; E61-M65 WeakPolarHBondContact OE2-CG 3.49Å; M65-G67 PolarHBondContact O-N 2.88Å; M65-V68 PolarHBondContact O-N 3.07Å; M65-V68 VanDerWaalsContact O-N 3.1Å; M65-V68 HydrophobicContact SD-CB 4.4Å; M65-V68 HydrophobicContact SD-CG2 4.08Å
66P96.2Very high97.1Very high64 Ų6447.5 Ų47.542%0.41624%0.244SC..G310 helixtrans-62.1-23176.5-26.337.3000114.8P31 E61 K62 I64P31-P66 WeakPolarHBondContact CB-O 3.24Å; E61-P66 WeakPolarHBondContact O-CD 3.28Å; K62-P66 WeakPolarHBondContact O-CG 3.5Å; I64-P66 VanDerWaalsContact C-N 3.33Å
67G97.4Very high97.3Very high21 Ų2143.1 Ų43.122%0.21622%0.221CC..G310 helixtrans-102.12.8175.900000114.7Y37 I64 M65Y37-G67 WeakPolarHBondContact OH-CA 3.22Å; I64-G67 PolarHBondContact O-N 2.98Å; M65-G67 PolarHBondContact O-N 2.88Å
68V97.9Very high97.3Very high42 Ų4241.4 Ų41.426%0.25521%0.212SC..  trans-80124.4177.51740000109.2I64 M65 H70I64-V68 HydrophobicContact CG2-CG2 4.04Å; I64-V68 PolarHBondContact O-N 3.05Å; M65-V68 PolarHBondContact O-N 3.07Å; M65-V68 VanDerWaalsContact O-N 3.1Å; M65-V68 HydrophobicContact SD-CB 4.4Å; M65-V68 HydrophobicContact SD-CG2 4.08Å; V68-H70 PolarHBondContact O-N 2.93Å
69T97.8Very high97.4Very high35 Ų3542 Ų4222%0.21521%0.208CC..  trans-74.2121.3158.9-55.30000108.6V29 Y30 P31 W71 F76V29-T69 CarbonylContact O-C 3.59Å; V29-T69 WeakPolarHBondContact O-CA 3.31Å; Y30-T69 HydrophobicContact CD2-CG2 4.21Å; P31-T69 VanDerWaalsContact CD-OG1 3.26Å; P31-T69 WeakPolarHBondContact CD-OG1 3.37Å; T69-W71 PolarHBondContact O-N 3.2Å; T69-F76 HydrophobicContact CG2-CD2 4.02Å; T69-F76 HydrophobicContact CG2-CE2 3.7Å
70H97.7Very high97.5Very high8 Ų839.3 Ų39.34%0.03719%0.193CC..  trans-83.879.9-175.1-64.5-54.9000111.6Y20 I24 Q28 V29 V68 H72 S73Y20-H70 AromaticContact CE2-CE1 3.74Å; Y20-H70 AromaticContact CE2-ND1 3.65Å; Y20-H70 AromaticContact CZ-ND1 3.67Å; Y20-H70 PolarHBondContact OH-ND1 3.05Å; I24-H70 HydrophobicContact CD1-CB 4.06Å; I24-H70 HydrophobicContact CG1-CB 4.09Å; Q28-H70 PolarHBondContact O-CD2 3.33Å; V29-H70 PolarHBondContact O-N 3.2Å; V68-H70 PolarHBondContact O-N 2.93Å; H70-H72 PolarHBondContact O-N 3.17Å; H70-S73 VanDerWaalsContact O-CB 3.22Å; H70-S73 WeakPolarHBondContact O-CB 3.38Å; H70-S73 PolarHBondContact O-N 3.38Å
71W97.8Very high97.4Very high92 Ų9237.7 Ų37.735%0.34818%0.183SC..THydrogen-bonded Turntrans-55.9-22.4-179.2-72.679.2000115.2T69 F76 Y79 T82T69-W71 PolarHBondContact O-N 3.2Å; W71-F76 HydrophobicContact CD2-CE1 4.03Å; W71-F76 AromaticContact CD2-CE2 3.89Å; W71-F76 HydrophobicContact CD2-CE2 3.89Å; W71-F76 AromaticContact CD2-CZ 3.45Å; W71-F76 HydrophobicContact CD2-CZ 3.45Å; W71-F76 VanDerWaalsContact CD2-CZ 3.45Å; W71-F76 AromaticContact CE2-CZ 3.92Å; W71-F76 HydrophobicContact CE3-CD1 4.47Å; W71-F76 AromaticContact CE3-CE1 3.44Å; W71-F76 HydrophobicContact CE3-CE1 3.44Å; W71-F76 VanDerWaalsContact CE3-CE1 3.44Å; W71-F76 HydrophobicContact CE3-CE2 4.11Å; W71-F76 AromaticContact CE3-CZ 3.21Å; W71-F76 HydrophobicContact CE3-CZ 3.21Å; W71-F76 HydrophobicContact CG-CE2 4.17Å; W71-F76 HydrophobicContact CG-CZ 4.13Å; W71-F76 AromaticContact CH2-CZ 3.94Å; W71-F76 HydrophobicContact CH2-CZ 3.94Å; W71-F76 HydrophobicContact CZ2-CZ 4.14Å; W71-F76 AromaticContact CZ3-CE1 3.83Å; W71-F76 HydrophobicContact CZ3-CE1 3.83Å; W71-F76 AromaticContact CZ3-CZ 3.48Å; W71-F76 HydrophobicContact CZ3-CZ 3.48Å; W71-F76 VanDerWaalsContact CZ3-CZ 3.48Å; W71-Y79 AromaticContact CH2-CD2 3.54Å; W71-Y79 HydrophobicContact CH2-CD2 3.54Å; W71-Y79 HydrophobicContact CH2-CE2 4.15Å; W71-Y79 HydrophobicContact CH2-CG 4.07Å; W71-Y79 HydrophobicContact CZ2-CD2 4.24Å; W71-Y79 HydrophobicContact CZ2-CE2 4.45Å; W71-Y79 HydrophobicContact CZ3-CD2 4.09Å; W71-Y79 HydrophobicContact CZ3-CG 4.47Å; W71-T82 HydrophobicContact CD2-CG2 4.33Å; W71-T82 HydrophobicContact CE3-CG2 3.63Å; W71-T82 HydrophobicContact CZ3-CG2 3.95Å
72H97.2Very high97.4Very high42 Ų4236.6 Ų36.619%0.19418%0.181CC..THydrogen-bonded Turntrans-95.90.4177.8-59.3-34.6000113.5M21 I24 H70 T82 S84 S404M21-H72 HydrophobicContact CE-CB 4.24Å; M21-H72 HydrophobicContact SD-CB 4.32Å; I24-H72 HydrophobicContact CD1-CB 3.78Å; H70-H72 PolarHBondContact O-N 3.17Å; H72-T82 PolarHBondContact CE1-O 2.69Å; H72-T82 PolarHBondContact ND1-O 2.81Å; H72-S84 WeakPolarHBondContact CE1-CB 3.34Å; H72-S84 VanDerWaalsContact NE2-CB 3.28Å; H72-S84 WeakPolarHBondContact NE2-CB 3.48Å; H72-S404 WeakPolarHBondContact O-CB 3.19Å; H72-S404 PolarHBondContact O-OG 3.01Å
73S98.1Very high97.1Very high0 Ų029.3 Ų29.30%015%0.15CC..SBendtrans-62.1138173.3178.20000110.3H70 Y75 F76 S404H70-S73 VanDerWaalsContact O-CB 3.22Å; H70-S73 WeakPolarHBondContact O-CB 3.38Å; H70-S73 PolarHBondContact O-N 3.38Å; S73-Y75 PolarHBondContact O-N 3.39Å; S73-Y75 PolarHBondContact OG-N 3.15Å; S73-F76 WeakPolarHBondContact O-CB 3.48Å; S73-F76 PolarHBondContact O-N 3.17Å; S73-S404 WeakPolarHBondContact O-CB 3.29Å
74P98.1Very high97Very high2 Ų229.2 Ų29.21%0.01315%0.15CC..THydrogen-bonded Turntrans-63.6-7.3173.129.8-36.9000113.6E25 F77 V407 H411E25-P74 HydrophobicContact CB-CG 3.98Å; E25-P74 HydrophobicContact CG-CG 3.9Å; P74-F77 WeakPolarHBondContact O-CZ 3.49Å; P74-V407 HydrophobicContact CB-CB 4.47Å; P74-H411 HydrophobicContact CB-CB 4.31Å
75Y98.4Very high97Very high30 Ų3025.9 Ų25.912%0.11813%0.133CC..THydrogen-bonded Turntrans-104.84.7175.7-64.9-59.6000114.3E25 V29 S73 F77 K384 I385 H386 H411 R414E25-Y75 HydrophobicContact CG-CD2 4.28Å; E25-Y75 HydrophobicContact CG-CE2 3.66Å; V29-Y75 VanDerWaalsContact CG2-CB 3.49Å; S73-Y75 PolarHBondContact O-N 3.39Å; S73-Y75 PolarHBondContact OG-N 3.15Å; Y75-F77 HydrophobicContact CD1-CE2 4.31Å; Y75-F77 WeakPolarHBondContact O-CD2 3.05Å; Y75-K384 WeakPolarHBondContact CB-O 3.41Å; Y75-I385 HydrophobicContact CD1-CG2 3.89Å; Y75-I385 HydrophobicContact CG-CG2 4.36Å; Y75-I385 WeakPolarHBondContact O-CA 3.47Å; Y75-H386 PolarHBondContact O-N 3.21Å; Y75-H386 VanDerWaalsContact O-N 3.13Å; Y75-H411 HydrophobicContact CE1-CB 4.31Å; Y75-H411 AromaticContact CZ-CD2 3.87Å; Y75-R414 HydrophobicContact CE1-CB 4.33Å; Y75-R414 PolarHBondContact OH-NE 3.37Å; Y75-R414 PolarHBondContact OH-NH1 3.13Å; Y75-R414 PolarHBondContact OH-NH2 2.9Å
76F98.6Very high97Very high1 Ų128.3 Ų28.30%0.00414%0.141CC..BIsolated β-bridgetrans-83.6113.3167.4-175.4-86000109.2V29 T69 W71 S73 A78 Y79 H386 C403V29-F76 HydrophobicContact CG1-CB 3.79Å; V29-F76 HydrophobicContact CG1-CD2 3.92Å; V29-F76 HydrophobicContact CG1-CG 4.35Å; T69-F76 HydrophobicContact CG2-CD2 4.02Å; T69-F76 HydrophobicContact CG2-CE2 3.7Å; W71-F76 HydrophobicContact CD2-CE1 4.03Å; W71-F76 AromaticContact CD2-CE2 3.89Å; W71-F76 HydrophobicContact CD2-CE2 3.89Å; W71-F76 AromaticContact CD2-CZ 3.45Å; W71-F76 HydrophobicContact CD2-CZ 3.45Å; W71-F76 VanDerWaalsContact CD2-CZ 3.45Å; W71-F76 AromaticContact CE2-CZ 3.92Å; W71-F76 HydrophobicContact CE3-CD1 4.47Å; W71-F76 AromaticContact CE3-CE1 3.44Å; W71-F76 HydrophobicContact CE3-CE1 3.44Å; W71-F76 VanDerWaalsContact CE3-CE1 3.44Å; W71-F76 HydrophobicContact CE3-CE2 4.11Å; W71-F76 AromaticContact CE3-CZ 3.21Å; W71-F76 HydrophobicContact CE3-CZ 3.21Å; W71-F76 HydrophobicContact CG-CE2 4.17Å; W71-F76 HydrophobicContact CG-CZ 4.13Å; W71-F76 AromaticContact CH2-CZ 3.94Å; W71-F76 HydrophobicContact CH2-CZ 3.94Å; W71-F76 HydrophobicContact CZ2-CZ 4.14Å; W71-F76 AromaticContact CZ3-CE1 3.83Å; W71-F76 HydrophobicContact CZ3-CE1 3.83Å; W71-F76 AromaticContact CZ3-CZ 3.48Å; W71-F76 HydrophobicContact CZ3-CZ 3.48Å; W71-F76 VanDerWaalsContact CZ3-CZ 3.48Å; S73-F76 WeakPolarHBondContact O-CB 3.48Å; S73-F76 PolarHBondContact O-N 3.17Å; F76-A78 HydrophobicContact CE1-CB 4.14Å; F76-A78 WeakPolarHBondContact CE1-O 3.47Å; F76-A78 HydrophobicContact CE2-CB 4.07Å; F76-A78 HydrophobicContact CZ-CB 3.78Å; F76-Y79 HydrophobicContact CZ-CD2 4.1Å; F76-H386 HydrophobicContact CD2-CB 4.47Å; F76-H386 AromaticContact CE2-CD2 3.74Å; F76-C403 HydrophobicContact CD1-CB 3.88Å; F76-C403 HydrophobicContact CE1-CB 4.48Å; F76-C403 WeakPolarHBondContact O-CB 3.27Å
77F98.6Very high97.1Very high0 Ų025.7 Ų25.70%013%0.125CC..  trans-125.216.4178.7-56.6-75.7000112.5P74 Y75 I385 H386 L387 F400 A401 I402 V407 A415P74-F77 WeakPolarHBondContact O-CZ 3.49Å; Y75-F77 HydrophobicContact CD1-CE2 4.31Å; Y75-F77 WeakPolarHBondContact O-CD2 3.05Å; F77-I385 HydrophobicContact CD2-CB 4.23Å; F77-I385 HydrophobicContact CD2-CG2 4.45Å; F77-I385 HydrophobicContact CE2-CB 4.41Å; F77-I385 HydrophobicContact CE2-CG2 4.13Å; F77-H386 CarbonylContact C-O 3.36Å; F77-H386 WeakPolarHBondContact CA-O 3.41Å; F77-H386 PolarHBondContact N-O 3.39Å; F77-L387 HydrophobicContact CB-CD2 3.55Å; F77-L387 HydrophobicContact CG-CD2 4.48Å; F77-F400 HydrophobicContact CB-CD2 4.03Å; F77-F400 HydrophobicContact CB-CE2 4.09Å; F77-F400 HydrophobicContact CB-CG 4.34Å; F77-F400 HydrophobicContact CB-CZ 4.46Å; F77-F400 HydrophobicContact CD1-CD1 4.17Å; F77-F400 HydrophobicContact CD1-CD2 4.43Å; F77-F400 AromaticContact CD1-CE1 3.58Å; F77-F400 HydrophobicContact CD1-CE1 3.58Å; F77-F400 AromaticContact CD1-CE2 3.86Å; F77-F400 HydrophobicContact CD1-CE2 3.86Å; F77-F400 AromaticContact CD1-CZ 3.4Å; F77-F400 HydrophobicContact CD1-CZ 3.4Å; F77-F400 VanDerWaalsContact CD1-CZ 3.4Å; F77-F400 HydrophobicContact CD2-CD2 4.28Å; F77-F400 AromaticContact CD2-CE2 3.54Å; F77-F400 HydrophobicContact CD2-CE2 3.54Å; F77-F400 AromaticContact CD2-CZ 3.79Å; F77-F400 HydrophobicContact CD2-CZ 3.79Å; F77-F400 AromaticContact CE1-CE1 3.7Å; F77-F400 HydrophobicContact CE1-CE1 3.7Å; F77-F400 HydrophobicContact CE1-CE2 4.12Å; F77-F400 AromaticContact CE1-CZ 3.35Å; F77-F400 HydrophobicContact CE1-CZ 3.35Å; F77-F400 AromaticContact CE2-CE2 3.8Å; F77-F400 HydrophobicContact CE2-CE2 3.8Å; F77-F400 AromaticContact CE2-CZ 3.73Å; F77-F400 HydrophobicContact CE2-CZ 3.73Å; F77-F400 HydrophobicContact CG-CD2 4.02Å; F77-F400 HydrophobicContact CG-CE1 4.13Å; F77-F400 AromaticContact CG-CE2 3.57Å; F77-F400 HydrophobicContact CG-CE2 3.57Å; F77-F400 HydrophobicContact CG-CG 4.47Å; F77-F400 AromaticContact CG-CZ 3.64Å; F77-F400 HydrophobicContact CG-CZ 3.64Å; F77-F400 HydrophobicContact CZ-CE1 4.31Å; F77-F400 HydrophobicContact CZ-CE2 4.09Å; F77-F400 AromaticContact CZ-CZ 3.52Å; F77-F400 HydrophobicContact CZ-CZ 3.52Å; F77-A401 VanDerWaalsContact CA-O 3.24Å; F77-A401 WeakPolarHBondContact CA-O 3.29Å; F77-A401 WeakPolarHBondContact CD1-O 3.37Å; F77-A401 PolarHBondContact O-N 3.32Å; F77-I402 HydrophobicContact CE1-CD1 4.42Å; F77-V407 HydrophobicContact CE1-CG2 4.07Å; F77-A415 HydrophobicContact CD2-CB 4.47Å; F77-A415 HydrophobicContact CE2-CB 3.63Å; F77-A415 HydrophobicContact CZ-CB 4.07Å
78A97.6Very high97.2Very high0 Ų024.7 Ų24.70%011%0.114CC..SBendtrans-85.5159.9-179.200000112.4F76 F80 H386 V388F76-A78 HydrophobicContact CE1-CB 4.14Å; F76-A78 WeakPolarHBondContact CE1-O 3.47Å; F76-A78 HydrophobicContact CE2-CB 4.07Å; F76-A78 HydrophobicContact CZ-CB 3.78Å; A78-F80 PolarHBondContact O-N 2.91Å; A78-H386 WeakPolarHBondContact CB-CD2 3.23Å; A78-H386 PolarHBondContact N-O 3.21Å; A78-H386 VanDerWaalsContact N-O 3.17Å; A78-V388 HydrophobicContact CB-CG1 3.89Å; A78-V388 HydrophobicContact CB-CG2 4.21Å
79Y97.8Very high97.2Very high115 Ų11524.2 Ų24.245%0.45111%0.109SC..SBendtrans52.5-127.9176.6-55.8-76000113.3W71 F76 V388 R399 A401W71-Y79 AromaticContact CH2-CD2 3.54Å; W71-Y79 HydrophobicContact CH2-CD2 3.54Å; W71-Y79 HydrophobicContact CH2-CE2 4.15Å; W71-Y79 HydrophobicContact CH2-CG 4.07Å; W71-Y79 HydrophobicContact CZ2-CD2 4.24Å; W71-Y79 HydrophobicContact CZ2-CE2 4.45Å; W71-Y79 HydrophobicContact CZ3-CD2 4.09Å; W71-Y79 HydrophobicContact CZ3-CG 4.47Å; F76-Y79 HydrophobicContact CZ-CD2 4.1Å; Y79-V388 HydrophobicContact CD1-CG2 4.25Å; Y79-V388 HydrophobicContact CD2-CG1 4.41Å; Y79-V388 HydrophobicContact CE1-CG1 4.21Å; Y79-V388 HydrophobicContact CE1-CG2 4.44Å; Y79-V388 HydrophobicContact CE2-CG1 3.9Å; Y79-V388 HydrophobicContact CG-CG2 4.39Å; Y79-R399 PolarHBondContact O-NH1 3.36Å; Y79-R399 VanDerWaalsContact O-NH1 3.09Å; Y79-R399 PolarHBondContact O-NH2 3.12Å; Y79-A401 WeakPolarHBondContact O-CB 3.26Å
80F98Very high97.2Very high12 Ų1226.7 Ų26.75%0.05312%0.121CC..SBendtrans-126.7160.6165.8-82.2-47.1000107.5A78 C201 Y226 L360A78-F80 PolarHBondContact O-N 2.91Å; F80-C201 HydrophobicContact CZ-CB 4.45Å; F80-Y226 HydrophobicContact CB-CD2 4.08Å; F80-Y226 AromaticContact CD1-CD1 3.75Å; F80-Y226 HydrophobicContact CD1-CD1 3.75Å; F80-Y226 AromaticContact CD1-CD2 3.54Å; F80-Y226 HydrophobicContact CD1-CD2 3.54Å; F80-Y226 AromaticContact CD1-CE1 3.88Å; F80-Y226 HydrophobicContact CD1-CE1 3.88Å; F80-Y226 AromaticContact CD1-CE2 3.69Å; F80-Y226 HydrophobicContact CD1-CE2 3.69Å; F80-Y226 AromaticContact CD1-CG 3.56Å; F80-Y226 HydrophobicContact CD1-CG 3.56Å; F80-Y226 AromaticContact CD1-CZ 3.85Å; F80-Y226 HydrophobicContact CD2-CD1 4.43Å; F80-Y226 HydrophobicContact CD2-CD2 4.32Å; F80-Y226 AromaticContact CD2-CG 3.9Å; F80-Y226 HydrophobicContact CD2-CG 3.9Å; F80-Y226 AromaticContact CE1-CD1 3.25Å; F80-Y226 HydrophobicContact CE1-CD1 3.25Å; F80-Y226 AromaticContact CE1-CD2 3.98Å; F80-Y226 HydrophobicContact CE1-CD2 3.98Å; F80-Y226 AromaticContact CE1-CE1 3.38Å; F80-Y226 HydrophobicContact CE1-CE1 3.38Å; F80-Y226 HydrophobicContact CE1-CE2 4.09Å; F80-Y226 AromaticContact CE1-CG 3.56Å; F80-Y226 HydrophobicContact CE1-CG 3.56Å; F80-Y226 AromaticContact CE1-CZ 3.81Å; F80-Y226 AromaticContact CE2-CD1 3.97Å; F80-Y226 HydrophobicContact CE2-CD1 3.97Å; F80-Y226 AromaticContact CE2-CG 3.84Å; F80-Y226 HydrophobicContact CE2-CG 3.84Å; F80-Y226 HydrophobicContact CG-CD1 4.33Å; F80-Y226 AromaticContact CG-CD2 3.75Å; F80-Y226 HydrophobicContact CG-CD2 3.75Å; F80-Y226 HydrophobicContact CG-CE2 4.32Å; F80-Y226 AromaticContact CG-CG 3.75Å; F80-Y226 HydrophobicContact CG-CG 3.75Å; F80-Y226 AromaticContact CZ-CD1 3.37Å; F80-Y226 HydrophobicContact CZ-CD1 3.37Å; F80-Y226 AromaticContact CZ-CE1 3.94Å; F80-Y226 HydrophobicContact CZ-CE1 3.94Å; F80-Y226 AromaticContact CZ-CG 3.7Å; F80-Y226 HydrophobicContact CZ-CG 3.7Å; F80-L360 HydrophobicContact CE1-CB 4.22Å; F80-L360 HydrophobicContact CE1-CD2 4.06Å; F80-L360 HydrophobicContact CZ-CD2 4.24Å
81P95.9Very high97.3Very high2 Ų226.3 Ų26.31%0.01312%0.119CC..  trans-62.1152.7-175-616.6000112.2Y226 K255 W256 C403P81-Y226 HydrophobicContact CG-CE2 4.1Å; P81-K255 CarbonylContact C-O 3.54Å; P81-K255 VanDerWaalsContact CB-O 3.31Å; P81-K255 WeakPolarHBondContact CB-O 3.33Å; P81-K255 CarbonylContact O-C 3.54Å; P81-K255 VanDerWaalsContact O-CA 3.26Å; P81-K255 WeakPolarHBondContact O-CA 3.39Å; P81-W256 HydrophobicContact CG-CG 4.35Å; P81-C403 HydrophobicContact CB-CB 3.87Å; P81-C403 WeakPolarHBondContact CB-O 3.35Å; P81-C403 HydrophobicContact CG-CB 4.26Å
82T94.9Very high97.3Very high40 Ų4024.2 Ų24.225%0.24512%0.115CC..  trans-105.5103.6158.853.90000106.8W71 H72 H254W71-T82 HydrophobicContact CD2-CG2 4.33Å; W71-T82 HydrophobicContact CE3-CG2 3.63Å; W71-T82 HydrophobicContact CZ3-CG2 3.95Å; H72-T82 PolarHBondContact CE1-O 2.69Å; H72-T82 PolarHBondContact ND1-O 2.81Å; T82-H254 CarbonylContact C-O 3.57Å; T82-H254 WeakPolarHBondContact CA-O 3.46Å
83A90.1Very high97.3Very high4 Ų426.5 Ų26.53%0.03313%0.127CC..  trans-66.7143.2-176.900000110.2H254 K255 V259 N260A83-H254 PolarHBondContact N-O 2.95Å; A83-K255 WeakPolarHBondContact CB-O 3.5Å; A83-K255 PolarHBondContact N-O 2.78Å; A83-V259 CarbonylContact O-C 3.48Å; A83-N260 WeakPolarHBondContact O-CA 3.32Å
84S93.4Very high97.3Very high9 Ų930.1 Ų30.16%0.06315%0.146CC..  trans-158.8145.5179.9-172.40000110.4H72 M89H72-S84 WeakPolarHBondContact CE1-CB 3.34Å; H72-S84 VanDerWaalsContact NE2-CB 3.28Å; H72-S84 WeakPolarHBondContact NE2-CB 3.48Å; S84-M89 VanDerWaalsContact OG-CE 3.27Å; S84-M89 WeakPolarHBondContact OG-CE 3.48Å
85S97.9Very high97.2Very high0 Ų031.1 Ų31.10%015%0.152CC..  trans-154155-178.668.80000111.8A88 M89 L258 Y321S85-A88 PolarHBondContact O-N 3.13Å; S85-A88 VanDerWaalsContact O-N 3.12Å; S85-A88 PolarHBondContact OG-N 2.9Å; S85-M89 WeakPolarHBondContact O-CG 3.48Å; S85-M89 PolarHBondContact O-N 3.49Å; S85-L258 WeakPolarHBondContact CB-O 3.27Å; S85-L258 PolarHBondContact OG-O 3.49Å; S85-Y321 VanDerWaalsContact CB-OH 3.3Å; S85-Y321 WeakPolarHBondContact CB-OH 3.27Å
86Y98.3Very high97.1Very high75 Ų7532.6 Ų32.629%0.29418%0.177SC..Hα-helixtrans-57.9-41.7176.9-60.8-53.2000113.2M21 A88 M89 L90M21-Y86 HydrophobicContact CB-CE1 4.27Å; M21-Y86 HydrophobicContact CG-CE1 4.33Å; Y86-A88 VanDerWaalsContact C-N 3.3Å; Y86-A88 PolarHBondContact O-N 3.43Å; Y86-M89 HydrophobicContact CD1-SD 4.05Å; Y86-M89 PolarHBondContact O-N 3.15Å; Y86-L90 WeakPolarHBondContact O-CG 3.48Å; Y86-L90 PolarHBondContact O-N 3.31Å
87P98.6Very high97Very high10 Ų1036.5 Ų36.57%0.06521%0.21CC..Hα-helixtrans-55.3-42.3172.7-30.438.7000113.9A91 F316 V317 M320 Y321P87-A91 WeakPolarHBondContact O-CB 3.25Å; P87-A91 PolarHBondContact O-N 3.43Å; P87-F316 HydrophobicContact CB-CB 4.25Å; P87-V317 HydrophobicContact CB-CG2 4.28Å; P87-M320 HydrophobicContact CB-CB 4.29Å; P87-M320 HydrophobicContact CB-CG 4.46Å; P87-M320 HydrophobicContact CB-SD 3.62Å; P87-M320 HydrophobicContact CG-CB 4Å; P87-M320 HydrophobicContact CG-CE 4.07Å; P87-M320 HydrophobicContact CG-CG 4.49Å; P87-M320 HydrophobicContact CG-SD 3.75Å; P87-Y321 HydrophobicContact CG-CD2 4.45Å; P87-Y321 HydrophobicContact CG-CE2 3.8Å
88A98.3Very high97Very high0 Ų040.3 Ų40.30%023%0.229CC..Hα-helixtrans-69.3-41-179.700000111.6S85 Y86 A91 D92 N260 K313 V317S85-A88 PolarHBondContact O-N 3.13Å; S85-A88 VanDerWaalsContact O-N 3.12Å; S85-A88 PolarHBondContact OG-N 2.9Å; Y86-A88 VanDerWaalsContact C-N 3.3Å; Y86-A88 PolarHBondContact O-N 3.43Å; A88-A91 PolarHBondContact O-N 2.84Å; A88-D92 PolarHBondContact O-N 3.28Å; A88-N260 HydrophobicContact CB-CB 4.38Å; A88-N260 WeakPolarHBondContact CB-OD1 3.44Å; A88-N260 PolarHBondContact O-OD1 3.02Å; A88-K313 HydrophobicContact CB-CB 4.36Å; A88-V317 HydrophobicContact CB-CG2 3.7Å
89M98.3Very high96.8Very high31 Ų3143 Ų4315%0.15326%0.256CS..Hα-helixtrans-60.7-46174.6-66.3174.4177.700112.1M17 M21 S84 S85 Y86 A91 D92 M93M17-M89 HydrophobicContact CE-CB 4.14Å; M17-M89 HydrophobicContact CE-CG 4.12Å; M17-M89 HydrophobicContact CE-SD 3.62Å; M21-M89 HydrophobicContact CE-CE 3.96Å; M21-M89 HydrophobicContact CG-CE 4.29Å; M21-M89 HydrophobicContact SD-CE 4.01Å; S84-M89 VanDerWaalsContact OG-CE 3.27Å; S84-M89 WeakPolarHBondContact OG-CE 3.48Å; S85-M89 WeakPolarHBondContact O-CG 3.48Å; S85-M89 PolarHBondContact O-N 3.49Å; Y86-M89 HydrophobicContact CD1-SD 4.05Å; Y86-M89 PolarHBondContact O-N 3.15Å; M89-A91 VanDerWaalsContact C-N 3.31Å; M89-A91 PolarHBondContact O-N 3.11Å; M89-D92 PolarHBondContact O-N 3.15Å; M89-M93 WeakPolarHBondContact O-CG 3.44Å; M89-M93 PolarHBondContact O-N 3.48Å
90L98.4Very high96.7Very high87 Ų8738.8 Ų38.846%0.45524%0.244SC..Hα-helixtrans-62.5-40.1177.1-70.5173.7000111.8Y86 M93 L94Y86-L90 WeakPolarHBondContact O-CG 3.48Å; Y86-L90 PolarHBondContact O-N 3.31Å; L90-M93 HydrophobicContact CD2-SD 4.19Å; L90-M93 WeakPolarHBondContact O-CB 3.35Å; L90-M93 PolarHBondContact O-N 3.31Å; L90-L94 PolarHBondContact O-N 3.1Å; L90-L94 VanDerWaalsContact O-N 3.12Å
91A98.4Very high96.6Very high0 Ų042.6 Ų42.60%026%0.264CS..Hα-helixtrans-64.8-41175.700000111.9P87 A88 M89 L94 C95 L312 K313 F316P87-A91 WeakPolarHBondContact O-CB 3.25Å; P87-A91 PolarHBondContact O-N 3.43Å; A88-A91 PolarHBondContact O-N 2.84Å; M89-A91 VanDerWaalsContact C-N 3.31Å; M89-A91 PolarHBondContact O-N 3.11Å; A91-L94 CarbonylContact O-C 3.28Å; A91-L94 WeakPolarHBondContact O-CB 3Å; A91-L94 PolarHBondContact O-N 3.42Å; A91-L94 VanDerWaalsContact O-N 3.14Å; A91-C95 PolarHBondContact O-N 3.42Å; A91-C95 PolarHBondContact O-SG 3Å; A91-L312 HydrophobicContact CB-CG 4.42Å; A91-K313 HydrophobicContact CB-CB 3.69Å; A91-F316 HydrophobicContact CB-CB 3.95Å; A91-F316 HydrophobicContact CB-CD1 3.82Å; A91-F316 HydrophobicContact CB-CD2 4.16Å; A91-F316 HydrophobicContact CB-CE1 4.34Å; A91-F316 HydrophobicContact CB-CG 3.72Å
92D97.4Very high96.4Very high49 Ų4942.5 Ų42.526%0.26226%0.263SS..Hα-helixtrans-69.7-31.2177.3-90.80.8000113A88 M89 L94 C95 G96 N260 K313A88-D92 PolarHBondContact O-N 3.28Å; M89-D92 PolarHBondContact O-N 3.15Å; D92-L94 VanDerWaalsContact C-N 3.31Å; D92-L94 PolarHBondContact O-N 2.96Å; D92-C95 WeakPolarHBondContact O-CB 3.35Å; D92-C95 PolarHBondContact O-N 2.87Å; D92-G96 PolarHBondContact O-N 3.49Å; D92-N260 PolarHBondContact OD2-ND2 3.12Å; D92-N260 PolarHBondContact OD2-OD1 3.03Å; D92-K313 WeakPolarHBondContact OD1-CD 3.39Å; D92-K313 IonicContact OD1-NZ 2.85Å; D92-K313 IonicContact OD2-NZ 3.68Å; D92-K313 PolarHBondContact OD2-NZ 2.97Å
93M97.6Very high96.2Very high90 Ų9043.4 Ų43.444%0.44326%0.264SS..Hα-helixtrans-59.1-44.8167.3-68.5172.169.400111.1V14 M89 L90 G96 A97V14-M93 HydrophobicContact CG2-CE 3.85Å; V14-M93 HydrophobicContact CG2-SD 4.28Å; M89-M93 WeakPolarHBondContact O-CG 3.44Å; M89-M93 PolarHBondContact O-N 3.48Å; L90-M93 HydrophobicContact CD2-SD 4.19Å; L90-M93 WeakPolarHBondContact O-CB 3.35Å; L90-M93 PolarHBondContact O-N 3.31Å; M93-G96 PolarHBondContact O-N 3.43Å; M93-A97 PolarHBondContact O-N 3.33Å; M93-A97 VanDerWaalsContact O-N 3.16Å
94L97.9Very high96.2Very high76 Ų7643.5 Ų43.540%0.39826%0.264SS..Hα-helixtrans-68-39.9177.1-17958000112L90 A91 D92 G96 A97 I98 L312 F316L90-L94 PolarHBondContact O-N 3.1Å; L90-L94 VanDerWaalsContact O-N 3.12Å; A91-L94 CarbonylContact O-C 3.28Å; A91-L94 WeakPolarHBondContact O-CB 3Å; A91-L94 PolarHBondContact O-N 3.42Å; A91-L94 VanDerWaalsContact O-N 3.14Å; D92-L94 VanDerWaalsContact C-N 3.31Å; D92-L94 PolarHBondContact O-N 2.96Å; L94-G96 VanDerWaalsContact C-N 3.27Å; L94-G96 PolarHBondContact O-N 2.97Å; L94-A97 PolarHBondContact O-N 3.47Å; L94-A97 VanDerWaalsContact O-N 3.13Å; L94-I98 HydrophobicContact CD1-CD1 4.19Å; L94-I98 HydrophobicContact CD1-CG1 4.2Å; L94-I98 HydrophobicContact CG-CD1 3.94Å; L94-I98 HydrophobicContact CG-CG1 4.4Å; L94-I98 WeakPolarHBondContact O-CG1 3.29Å; L94-I98 PolarHBondContact O-N 3.4Å; L94-L312 HydrophobicContact CB-CD2 4.24Å; L94-L312 HydrophobicContact CD2-CD2 3.95Å; L94-L312 HydrophobicContact CG-CD2 3.95Å; L94-F316 HydrophobicContact CD2-CZ 4.3Å
95C96.7Very high96.2Very high22 Ų2245.4 Ų45.415%0.14927%0.27CS..Hα-helixtrans-55.7-44.1172.1-71.50000111.2A91 D92 A97 I98 G99 F309A91-C95 PolarHBondContact O-N 3.42Å; A91-C95 PolarHBondContact O-SG 3Å; D92-C95 WeakPolarHBondContact O-CB 3.35Å; D92-C95 PolarHBondContact O-N 2.87Å; C95-A97 VanDerWaalsContact C-N 3.32Å; C95-A97 PolarHBondContact O-N 3.31Å; C95-I98 PolarHBondContact O-N 3.27Å; C95-G99 PolarHBondContact O-N 3.45Å; C95-F309 PolarHBondContact SG-O 3.15Å; C95-F309 VanDerWaalsContact SG-O 3.32Å
96G96.2Very high95.9Very high62 Ų6247.9 Ų47.964%0.63929%0.291SS*.Hα-helixtrans-60.9-38.9176.700000112.9D92 M93 L94D92-G96 PolarHBondContact O-N 3.49Å; M93-G96 PolarHBondContact O-N 3.43Å; L94-G96 VanDerWaalsContact C-N 3.27Å; L94-G96 PolarHBondContact O-N 2.97Å
97A97.1Very high95.6Very high83 Ų8346.2 Ų46.269%0.68629%0.292SS*.Hα-helixtrans-73.6-38.5176.900000113.4M93 L94 C95M93-A97 PolarHBondContact O-N 3.33Å; M93-A97 VanDerWaalsContact O-N 3.16Å; L94-A97 PolarHBondContact O-N 3.47Å; L94-A97 VanDerWaalsContact O-N 3.13Å; C95-A97 VanDerWaalsContact C-N 3.32Å; C95-A97 PolarHBondContact O-N 3.31Å
98I97.7Very high95.5Very high79 Ų7946.6 Ų46.641%0.40530%0.295SS..Hα-helixtrans-66.1-41.9176.3-67.9169.6000110.3L94 C95 C100 F309 L312L94-I98 HydrophobicContact CD1-CD1 4.19Å; L94-I98 HydrophobicContact CD1-CG1 4.2Å; L94-I98 HydrophobicContact CG-CD1 3.94Å; L94-I98 HydrophobicContact CG-CG1 4.4Å; L94-I98 WeakPolarHBondContact O-CG1 3.29Å; L94-I98 PolarHBondContact O-N 3.4Å; C95-I98 PolarHBondContact O-N 3.27Å; I98-C100 HydrophobicContact CG2-CB 3.89Å; I98-C100 PolarHBondContact O-N 3.27Å; I98-F309 HydrophobicContact CD1-CD2 4.18Å; I98-F309 HydrophobicContact CD1-CE2 4.31Å; I98-F309 HydrophobicContact CG2-CD2 4.45Å; I98-L312 HydrophobicContact CD1-CD2 4.11Å
99G94.6Very high95.3Very high56 Ų5649.1 Ų49.158%0.57731%0.311SS*.  trans59.918.6172.300000115.2C95C95-G99 PolarHBondContact O-N 3.45Å
100C95.9Very high95.3Very high28 Ų2850.3 Ų50.319%0.18933%0.327CS..  trans-75.6155.3-177.171.20000112I98 S108I98-C100 HydrophobicContact CG2-CB 3.89Å; I98-C100 PolarHBondContact O-N 3.27Å; C100-S108 PolarHBondContact SG-OG 2.97Å
101I94.5Very high95.2Very high92 Ų9246.3 Ų46.347%0.47231%0.305SS..  trans-119.6106.8174.7-50.6177.8000108.1F103 A107 R307I101-F103 VanDerWaalsContact C-N 3.3Å; I101-F103 HydrophobicContact CB-CD1 4.2Å; I101-F103 HydrophobicContact CB-CE1 4.49Å; I101-F103 HydrophobicContact CG2-CD1 3.73Å; I101-F103 HydrophobicContact CG2-CE1 4.43Å; I101-F103 PolarHBondContact O-N 3.04Å; I101-F103 VanDerWaalsContact O-N 3.12Å; I101-A107 VanDerWaalsContact O-CB 3.27Å; I101-A107 WeakPolarHBondContact O-CB 3.41Å; I101-R307 WeakPolarHBondContact CA-O 3.27Å
102G92.9Very high95.1Very high0 Ų046.5 Ų46.50%031%0.307CS..  trans-85.643.6-172.600000114.9S104 R307G102-S104 PolarHBondContact O-N 2.6Å; G102-R307 VanDerWaalsContact C-CG 3.47Å; G102-R307 PolarHBondContact N-O 3.44Å; G102-R307 WeakPolarHBondContact O-CD 3.37Å; G102-R307 WeakPolarHBondContact O-CG 3.27Å
103F90.3Very high95Very high59 Ų5949 Ų4926%0.25932%0.317SS..SBendtrans-69.6-17.4-178.658.1-105.6000113.6I101 A107 L285 R299 L305I101-F103 VanDerWaalsContact C-N 3.3Å; I101-F103 HydrophobicContact CB-CD1 4.2Å; I101-F103 HydrophobicContact CB-CE1 4.49Å; I101-F103 HydrophobicContact CG2-CD1 3.73Å; I101-F103 HydrophobicContact CG2-CE1 4.43Å; I101-F103 PolarHBondContact O-N 3.04Å; I101-F103 VanDerWaalsContact O-N 3.12Å; F103-A107 HydrophobicContact CD1-CB 4.25Å; F103-A107 HydrophobicContact CD2-CB 4.08Å; F103-A107 HydrophobicContact CE1-CB 3.91Å; F103-A107 HydrophobicContact CE2-CB 3.72Å; F103-A107 HydrophobicContact CG-CB 4.32Å; F103-A107 HydrophobicContact CZ-CB 3.62Å; F103-L285 HydrophobicContact CD2-CD2 3.85Å; F103-L285 HydrophobicContact CE2-CD2 3.72Å; F103-R299 WeakPolarHBondContact O-CB 3.16Å; F103-R299 VanDerWaalsContact O-CD 3.29Å; F103-R299 WeakPolarHBondContact O-CD 3.24Å; F103-R299 WeakPolarHBondContact O-CG 3.22Å; F103-L305 HydrophobicContact CB-CD1 3.89Å; F103-L305 HydrophobicContact CB-CG 4.01Å; F103-L305 VanDerWaalsContact CB-O 3.22Å; F103-L305 WeakPolarHBondContact CB-O 3.35Å
104S90.1Very high95Very high6 Ų646.3 Ų46.34%0.04230%0.304CS..SBendtrans-143.5162.8168.763.40000108.7G102 A106 A107 S108 D297G102-S104 PolarHBondContact O-N 2.6Å; S104-A106 PolarHBondContact O-N 3.18Å; S104-A107 WeakPolarHBondContact O-CB 3.36Å; S104-A107 PolarHBondContact O-N 3Å; S104-A107 VanDerWaalsContact O-N 3.14Å; S104-A107 PolarHBondContact OG-N 3.31Å; S104-S108 PolarHBondContact O-N 3.16Å; S104-D297 WeakPolarHBondContact CA-OD1 3.27Å
105W92.2Very high95Very high49 Ų4942.7 Ų42.719%0.18629%0.285CS..THydrogen-bonded Turntrans-56.4-41171.6177.395.9000111.5A107 S108 P109 T112 E113 H289 I295 D297W105-A107 VanDerWaalsContact C-N 3.27Å; W105-A107 PolarHBondContact O-N 3.28Å; W105-S108 CarbonylContact O-C 3.13Å; W105-S108 PolarHBondContact O-N 2.95Å; W105-P109 HydrophobicContact CD2-CB 4.22Å; W105-P109 HydrophobicContact CD2-CG 4.18Å; W105-P109 HydrophobicContact CE3-CG 4.36Å; W105-P109 HydrophobicContact CH2-CG 4.18Å; W105-P109 HydrophobicContact CZ2-CB 3.87Å; W105-P109 HydrophobicContact CZ2-CG 4.01Å; W105-P109 HydrophobicContact CZ3-CG 4.35Å; W105-P109 VanDerWaalsContact O-CA 3.28Å; W105-P109 WeakPolarHBondContact O-CA 3.43Å; W105-P109 WeakPolarHBondContact O-CD 3.38Å; W105-P109 VanDerWaalsContact O-CG 3.32Å; W105-P109 WeakPolarHBondContact O-CG 3.13Å; W105-T112 HydrophobicContact CB-CG2 4.34Å; W105-E113 PolarHBondContact NE1-OE1 2.99Å; W105-H289 HydrophobicContact CE3-CB 4.48Å; W105-H289 AromaticContact CZ3-CD2 3.52Å; W105-I295 HydrophobicContact CB-CG2 3.3Å; W105-I295 HydrophobicContact CD2-CD1 3.85Å; W105-I295 HydrophobicContact CD2-CG2 4.46Å; W105-I295 HydrophobicContact CE3-CD1 4.36Å; W105-I295 HydrophobicContact CG-CD1 4Å; W105-I295 HydrophobicContact CG-CG1 4.26Å; W105-I295 HydrophobicContact CG-CG2 3.52Å; W105-I295 HydrophobicContact CZ2-CD1 4.41Å; W105-D297 PolarHBondContact N-OD1 2.88Å
106A91.6Very high94.9Very high52 Ų5243.1 Ų43.143%0.4329%0.287SS..THydrogen-bonded Turntrans-64.4-29.6179.800000113.4S104 H287S104-A106 PolarHBondContact O-N 3.18Å; A106-H287 HydrophobicContact CB-CB 3.64Å
107A93Very high95Very high40 Ų4043.1 Ų43.133%0.33127%0.274SS..THydrogen-bonded Turntrans-70.5-34178.200000112.5I101 F103 S104 W105I101-A107 VanDerWaalsContact O-CB 3.27Å; I101-A107 WeakPolarHBondContact O-CB 3.41Å; F103-A107 HydrophobicContact CD1-CB 4.25Å; F103-A107 HydrophobicContact CD2-CB 4.08Å; F103-A107 HydrophobicContact CE1-CB 3.91Å; F103-A107 HydrophobicContact CE2-CB 3.72Å; F103-A107 HydrophobicContact CG-CB 4.32Å; F103-A107 HydrophobicContact CZ-CB 3.62Å; S104-A107 WeakPolarHBondContact O-CB 3.36Å; S104-A107 PolarHBondContact O-N 3Å; S104-A107 VanDerWaalsContact O-N 3.14Å; S104-A107 PolarHBondContact OG-N 3.31Å; W105-A107 VanDerWaalsContact C-N 3.27Å; W105-A107 PolarHBondContact O-N 3.28Å
108S95.8Very high95Very high17 Ų1739.1 Ų39.112%0.11924%0.242CC..  trans-162.997.6170.4-1710000110.2C100 S104 W105 A110 C111 T112C100-S108 PolarHBondContact SG-OG 2.97Å; S104-S108 PolarHBondContact O-N 3.16Å; W105-S108 CarbonylContact O-C 3.13Å; W105-S108 PolarHBondContact O-N 2.95Å; S108-A110 VanDerWaalsContact C-N 3.33Å; S108-A110 PolarHBondContact O-N 3.42Å; S108-C111 WeakPolarHBondContact O-CB 3.38Å; S108-C111 PolarHBondContact O-N 2.88Å; S108-C111 VanDerWaalsContact O-N 3.12Å; S108-T112 PolarHBondContact O-N 2.87Å
109P95.3Very high95.1Very high53 Ų5335.4 Ų35.434%0.34422%0.222SC..Hα-helixtrans-58-45.8-177.5-30.637000112.2W105 C111 T112 E113W105-P109 HydrophobicContact CD2-CB 4.22Å; W105-P109 HydrophobicContact CD2-CG 4.18Å; W105-P109 HydrophobicContact CE3-CG 4.36Å; W105-P109 HydrophobicContact CH2-CG 4.18Å; W105-P109 HydrophobicContact CZ2-CB 3.87Å; W105-P109 HydrophobicContact CZ2-CG 4.01Å; W105-P109 HydrophobicContact CZ3-CG 4.35Å; W105-P109 VanDerWaalsContact O-CA 3.28Å; W105-P109 WeakPolarHBondContact O-CA 3.43Å; W105-P109 WeakPolarHBondContact O-CD 3.38Å; W105-P109 VanDerWaalsContact O-CG 3.32Å; W105-P109 WeakPolarHBondContact O-CG 3.13Å; P109-C111 VanDerWaalsContact C-N 3.28Å; P109-C111 PolarHBondContact O-N 3.47Å; P109-T112 PolarHBondContact O-N 3.33Å; P109-T112 VanDerWaalsContact O-N 3.1Å; P109-E113 WeakPolarHBondContact O-CB 3.41Å; P109-E113 VanDerWaalsContact O-CG 3.3Å; P109-E113 WeakPolarHBondContact O-CG 3.46Å; P109-E113 PolarHBondContact O-N 3.01Å
110A97Very high95.2Very high57 Ų5733.5 Ų33.547%0.47120%0.199SC..Hα-helixtrans-59.9-36.2178.800000112.9S108 T112 L114 F309S108-A110 VanDerWaalsContact C-N 3.33Å; S108-A110 PolarHBondContact O-N 3.42Å; A110-T112 VanDerWaalsContact C-N 3.31Å; A110-T112 PolarHBondContact O-N 2.81Å; A110-L114 WeakPolarHBondContact O-CB 3.24Å; A110-L114 PolarHBondContact O-N 3.31Å; A110-L114 VanDerWaalsContact O-N 3.09Å; A110-F309 HydrophobicContact CB-CE2 4.33Å; A110-F309 HydrophobicContact CB-CZ 4.1Å; A110-F309 WeakPolarHBondContact O-CE1 3.5Å; A110-F309 WeakPolarHBondContact O-CZ 3.26Å
111C96.9Very high95.3Very high2 Ų237.2 Ų37.21%0.01421%0.209CC..Hα-helixtrans-60.7-43.4176.5-173.20000111.6S108 P109 F309S108-C111 WeakPolarHBondContact O-CB 3.38Å; S108-C111 PolarHBondContact O-N 2.88Å; S108-C111 VanDerWaalsContact O-N 3.12Å; P109-C111 VanDerWaalsContact C-N 3.28Å; P109-C111 PolarHBondContact O-N 3.47Å; C111-F309 VanDerWaalsContact CA-CE1 3.49Å; C111-F309 HydrophobicContact CB-CD1 4.17Å; C111-F309 HydrophobicContact CB-CE1 4.42Å; C111-F309 HydrophobicContact CB-CG 4.26Å
112T95.4Very high95.5Very high4 Ų432.8 Ų32.83%0.02519%0.187CC..Hα-helixtrans-76.1-51.5-178.1-61.50000111.2W105 S108 P109 A110 L114 E115 T116 T296 Y298W105-T112 HydrophobicContact CB-CG2 4.34Å; S108-T112 PolarHBondContact O-N 2.87Å; P109-T112 PolarHBondContact O-N 3.33Å; P109-T112 VanDerWaalsContact O-N 3.1Å; A110-T112 VanDerWaalsContact C-N 3.31Å; A110-T112 PolarHBondContact O-N 2.81Å; T112-L114 PolarHBondContact O-N 2.96Å; T112-E115 WeakPolarHBondContact O-CB 3.43Å; T112-E115 PolarHBondContact O-N 3.33Å; T112-T116 PolarHBondContact O-N 3.15Å; T112-T116 VanDerWaalsContact O-N 3.11Å; T112-T116 PolarHBondContact O-OG1 3.43Å; T112-T296 WeakPolarHBondContact CG2-O 3.21Å; T112-Y298 HydrophobicContact CG2-CD2 3.97Å; T112-Y298 HydrophobicContact CG2-CE2 3.93Å
113E95.6Very high95.8Very high102 Ų10232.8 Ų32.848%0.47719%0.187SC..Hα-helixtrans-67.3-41.2-172.9-63.7-130.6-160.400112.2W105 P109 E115 T116 V117W105-E113 PolarHBondContact NE1-OE1 2.99Å; P109-E113 WeakPolarHBondContact O-CB 3.41Å; P109-E113 VanDerWaalsContact O-CG 3.3Å; P109-E113 WeakPolarHBondContact O-CG 3.46Å; P109-E113 PolarHBondContact O-N 3.01Å; E113-E115 VanDerWaalsContact C-N 3.27Å; E113-E115 PolarHBondContact O-N 3.48Å; E113-T116 WeakPolarHBondContact O-CB 3.39Å; E113-T116 PolarHBondContact O-N 3.46Å; E113-V117 WeakPolarHBondContact O-CG2 3.33Å; E113-V117 PolarHBondContact O-N 2.99Å
114L97.9Very high96.2Very high33 Ų3334.6 Ų34.617%0.17319%0.194CC..Hα-helixtrans-64.8-35.6176.7-174.562.8000111.2A110 T112 V117 M118 F309 L312 W315A110-L114 WeakPolarHBondContact O-CB 3.24Å; A110-L114 PolarHBondContact O-N 3.31Å; A110-L114 VanDerWaalsContact O-N 3.09Å; T112-L114 PolarHBondContact O-N 2.96Å; L114-V117 PolarHBondContact O-N 3.09Å; L114-M118 HydrophobicContact CD1-CE 4.14Å; L114-M118 HydrophobicContact CD1-CG 4.3Å; L114-M118 HydrophobicContact CG-CG 4.23Å; L114-M118 WeakPolarHBondContact O-CB 3.07Å; L114-M118 VanDerWaalsContact O-CG 3.24Å; L114-M118 WeakPolarHBondContact O-CG 3.35Å; L114-M118 PolarHBondContact O-N 3Å; L114-F309 HydrophobicContact CB-CE1 3.94Å; L114-F309 HydrophobicContact CB-CZ 4.3Å; L114-F309 HydrophobicContact CD2-CE1 3.62Å; L114-F309 HydrophobicContact CD2-CZ 3.84Å; L114-F309 HydrophobicContact CG-CE1 4.31Å; L114-L312 HydrophobicContact CD2-CD1 4.03Å; L114-W315 HydrophobicContact CD1-CB 4.25Å; L114-W315 HydrophobicContact CD1-CD2 4.41Å; L114-W315 HydrophobicContact CD1-CG 3.91Å; L114-W315 HydrophobicContact CD2-CB 4.09Å; L114-W315 HydrophobicContact CD2-CG 4.28Å; L114-W315 HydrophobicContact CG-CB 4.47Å
115E97.9Very high96.6Very high1 Ų135.6 Ų35.61%0.00520%0.199CC..Hα-helixtrans-62.6-46.6175.4-174.8163.6141.700111.7T112 E113 V117 M118 M119 I144 Y298 R307 S311T112-E115 WeakPolarHBondContact O-CB 3.43Å; T112-E115 PolarHBondContact O-N 3.33Å; E113-E115 VanDerWaalsContact C-N 3.27Å; E113-E115 PolarHBondContact O-N 3.48Å; E115-V117 VanDerWaalsContact C-N 3.31Å; E115-V117 PolarHBondContact O-N 3.27Å; E115-M118 PolarHBondContact O-N 3.11Å; E115-M119 HydrophobicContact CG-CG 4.2Å; E115-M119 WeakPolarHBondContact O-CB 3.32Å; E115-M119 VanDerWaalsContact O-CG 3.26Å; E115-M119 WeakPolarHBondContact O-CG 3.22Å; E115-M119 PolarHBondContact O-N 2.97Å; E115-I144 HydrophobicContact CG-CD1 3.76Å; E115-I144 HydrophobicContact CG-CG1 3.85Å; E115-I144 PolarHBondContact OE1-N 3.46Å; E115-Y298 HydrophobicContact CB-CE2 3.94Å; E115-Y298 HydrophobicContact CG-CE2 3.99Å; E115-R307 IonicContact OE1-CZ 3.63Å; E115-R307 IonicContact OE1-NH1 3.22Å; E115-R307 PolarHBondContact OE1-NH1 3.28Å; E115-R307 IonicContact OE1-NH2 3.93Å; E115-R307 IonicContact OE2-NH1 3.39Å; E115-R307 PolarHBondContact OE2-NH1 3.24Å; E115-R307 VanDerWaalsContact OE2-NH1 3.07Å; E115-S311 VanDerWaalsContact CA-CB 3.41Å; E115-S311 PolarHBondContact N-OG 3.05Å
116T95.6Very high96.9Very high30 Ų3033.3 Ų33.318%0.18419%0.19CC..Hα-helixtrans-54.7-47.3174.8-54.60000111.6T112 E113 M119 D120 N134 Y298T112-T116 PolarHBondContact O-N 3.15Å; T112-T116 VanDerWaalsContact O-N 3.11Å; T112-T116 PolarHBondContact O-OG1 3.43Å; E113-T116 WeakPolarHBondContact O-CB 3.39Å; E113-T116 PolarHBondContact O-N 3.46Å; T116-M119 PolarHBondContact O-N 3.2Å; T116-D120 PolarHBondContact O-N 3.05Å; T116-N134 HydrophobicContact CG2-CB 3.38Å; T116-N134 PolarHBondContact O-ND2 3.16Å; T116-Y298 WeakPolarHBondContact CA-OH 3.47Å; T116-Y298 PolarHBondContact N-OH 2.87Å; T116-Y298 PolarHBondContact OG1-OH 3.43Å
117V97.1Very high97.2Very high62 Ų6236.8 Ų36.838%0.37620%0.197SC..Hα-helixtrans-65.6-42178.7179.10000111.7E113 L114 E115 D120 W121E113-V117 WeakPolarHBondContact O-CG2 3.33Å; E113-V117 PolarHBondContact O-N 2.99Å; L114-V117 PolarHBondContact O-N 3.09Å; E115-V117 VanDerWaalsContact C-N 3.31Å; E115-V117 PolarHBondContact O-N 3.27Å; V117-D120 PolarHBondContact O-N 3.37Å; V117-W121 HydrophobicContact CG1-CZ2 4.48Å; V117-W121 WeakPolarHBondContact O-CB 3.26Å; V117-W121 VanDerWaalsContact O-CD1 3.28Å; V117-W121 PolarHBondContact O-N 3.35Å
118M98.4Very high97.4Very high0 Ų035.3 Ų35.30%018%0.184CC..Hα-helixtrans-66.8-38.4179.2-71.1-5289.900112.6L114 E115 D120 W121 L122 M314 W315 F318L114-M118 HydrophobicContact CD1-CE 4.14Å; L114-M118 HydrophobicContact CD1-CG 4.3Å; L114-M118 HydrophobicContact CG-CG 4.23Å; L114-M118 WeakPolarHBondContact O-CB 3.07Å; L114-M118 VanDerWaalsContact O-CG 3.24Å; L114-M118 WeakPolarHBondContact O-CG 3.35Å; L114-M118 PolarHBondContact O-N 3Å; E115-M118 PolarHBondContact O-N 3.11Å; M118-D120 VanDerWaalsContact C-N 3.33Å; M118-W121 HydrophobicContact CE-CD2 3.66Å; M118-W121 HydrophobicContact CE-CE3 3.53Å; M118-W121 HydrophobicContact CE-CG 4.17Å; M118-W121 HydrophobicContact CE-CH2 4.34Å; M118-W121 HydrophobicContact CE-CZ2 4.46Å; M118-W121 HydrophobicContact CE-CZ3 3.89Å; M118-W121 PolarHBondContact O-N 2.92Å; M118-W121 HydrophobicContact SD-CE3 4.18Å; M118-L122 VanDerWaalsContact O-CB 3.29Å; M118-L122 WeakPolarHBondContact O-CB 3.42Å; M118-L122 PolarHBondContact O-N 2.85Å; M118-M314 HydrophobicContact CB-CE 4.28Å; M118-M314 HydrophobicContact CG-CB 4.35Å; M118-W315 HydrophobicContact CE-CG 4.43Å; M118-W315 HydrophobicContact CG-CB 4.23Å; M118-W315 WeakPolarHBondContact SD-CA 3.21Å; M118-W315 HydrophobicContact SD-CB 3.65Å; M118-W315 HydrophobicContact SD-CG 4.09Å; M118-F318 HydrophobicContact SD-CD2 4.05Å
119M98.3Very high97.4Very high0 Ų036.3 Ų36.30%019%0.19CC..Hα-helixtrans-68.7-33.5176.2-68.8-54.8-66.600112E115 T116 G123 I144 A265 M266 W267E115-M119 HydrophobicContact CG-CG 4.2Å; E115-M119 WeakPolarHBondContact O-CB 3.32Å; E115-M119 VanDerWaalsContact O-CG 3.26Å; E115-M119 WeakPolarHBondContact O-CG 3.22Å; E115-M119 PolarHBondContact O-N 2.97Å; T116-M119 PolarHBondContact O-N 3.2Å; M119-G123 PolarHBondContact O-N 3.04Å; M119-I144 HydrophobicContact CG-CG1 4.3Å; M119-I144 HydrophobicContact SD-CG1 3.7Å; M119-A265 HydrophobicContact CE-CB 3.86Å; M119-A265 HydrophobicContact SD-CB 4.1Å; M119-M266 WeakPolarHBondContact CE-O 3.43Å; M119-W267 HydrophobicContact CE-CD2 3.75Å; M119-W267 HydrophobicContact CE-CE3 4.09Å; M119-W267 HydrophobicContact CE-CG 4.37Å; M119-W267 HydrophobicContact CE-CH2 3.78Å; M119-W267 HydrophobicContact CE-CZ2 3.42Å; M119-W267 VanDerWaalsContact CE-CZ2 3.42Å; M119-W267 HydrophobicContact CE-CZ3 4.1Å; M119-W267 WeakPolarHBondContact O-CZ2 3.42Å; M119-W267 PolarHBondContact O-NE1 2.87Å; M119-W267 HydrophobicContact SD-CZ2 4.29Å
120D97.7Very high97.4Very high16 Ų1641.5 Ų41.59%0.08621%0.207CC..Hα-helixtrans-72.1-42.8172.5-78.15.4000112.4T116 V117 M118 L122 G123 K124 N134 E135T116-D120 PolarHBondContact O-N 3.05Å; V117-D120 PolarHBondContact O-N 3.37Å; M118-D120 VanDerWaalsContact C-N 3.33Å; D120-L122 VanDerWaalsContact C-N 3.32Å; D120-L122 PolarHBondContact O-N 3.4Å; D120-G123 PolarHBondContact O-N 3.25Å; D120-K124 WeakPolarHBondContact O-CB 3.48Å; D120-K124 WeakPolarHBondContact O-CD 3.42Å; D120-K124 WeakPolarHBondContact O-CG 3.48Å; D120-K124 PolarHBondContact O-N 3.26Å; D120-N134 VanDerWaalsContact OD1-CB 3.28Å; D120-N134 WeakPolarHBondContact OD1-CB 3.45Å; D120-N134 PolarHBondContact OD1-N 3.03Å; D120-N134 PolarHBondContact OD1-ND2 3.11Å; D120-E135 VanDerWaalsContact OD2-CG 3.32Å; D120-E135 WeakPolarHBondContact OD2-CG 3.15Å; D120-E135 PolarHBondContact OD2-N 2.96Å
121W98.6Very high97.3Very high106 Ų10640.5 Ų40.540%0.40220%0.199SC..Hα-helixtrans-58.1-47.8174.6-79.920.8000110.9V117 M118 K124 M125 F318 R319V117-W121 HydrophobicContact CG1-CZ2 4.48Å; V117-W121 WeakPolarHBondContact O-CB 3.26Å; V117-W121 VanDerWaalsContact O-CD1 3.28Å; V117-W121 PolarHBondContact O-N 3.35Å; M118-W121 HydrophobicContact CE-CD2 3.66Å; M118-W121 HydrophobicContact CE-CE3 3.53Å; M118-W121 HydrophobicContact CE-CG 4.17Å; M118-W121 HydrophobicContact CE-CH2 4.34Å; M118-W121 HydrophobicContact CE-CZ2 4.46Å; M118-W121 HydrophobicContact CE-CZ3 3.89Å; M118-W121 PolarHBondContact O-N 2.92Å; M118-W121 HydrophobicContact SD-CE3 4.18Å; W121-K124 PolarHBondContact O-N 3.08Å; W121-M125 VanDerWaalsContact O-CG 3.3Å; W121-M125 WeakPolarHBondContact O-CG 3.39Å; W121-M125 PolarHBondContact O-N 2.9Å; W121-F318 HydrophobicContact CE3-CD2 4.46Å; W121-R319 HydrophobicContact CZ3-CG 4.19Å
122L98.7Very high97.3Very high0 Ų040.4 Ų40.40%020%0.198CC..Hα-helixtrans-67.7-43.3-179.7-17255.2000111.9M118 D120 K124 M125 L126 F251 P253 L257 A265 W267 M314 F318M118-L122 VanDerWaalsContact O-CB 3.29Å; M118-L122 WeakPolarHBondContact O-CB 3.42Å; M118-L122 PolarHBondContact O-N 2.85Å; D120-L122 VanDerWaalsContact C-N 3.32Å; D120-L122 PolarHBondContact O-N 3.4Å; L122-K124 VanDerWaalsContact C-N 3.26Å; L122-K124 PolarHBondContact O-N 2.89Å; L122-M125 HydrophobicContact CD1-SD 4.31Å; L122-M125 WeakPolarHBondContact O-CB 3.02Å; L122-M125 PolarHBondContact O-N 3.35Å; L122-M125 VanDerWaalsContact O-N 3.16Å; L122-L126 WeakPolarHBondContact O-CG 3.08Å; L122-L126 PolarHBondContact O-N 3.03Å; L122-L126 VanDerWaalsContact O-N 3.09Å; L122-F251 HydrophobicContact CD1-CE1 4.33Å; L122-F251 HydrophobicContact CD1-CZ 3.87Å; L122-F251 HydrophobicContact CD2-CE1 3.72Å; L122-F251 HydrophobicContact CD2-CZ 3.64Å; L122-F251 HydrophobicContact CG-CE1 3.99Å; L122-F251 HydrophobicContact CG-CZ 3.96Å; L122-P253 HydrophobicContact CD2-CG 4.12Å; L122-L257 HydrophobicContact CD1-CD2 3.88Å; L122-A265 HydrophobicContact CD2-CB 3.91Å; L122-W267 HydrophobicContact CB-CH2 4.23Å; L122-W267 HydrophobicContact CB-CZ2 3.95Å; L122-W267 HydrophobicContact CD2-CH2 3.59Å; L122-W267 HydrophobicContact CD2-CZ2 4.1Å; L122-W267 HydrophobicContact CG-CH2 3.71Å; L122-W267 HydrophobicContact CG-CZ2 3.94Å; L122-M314 HydrophobicContact CB-CE 4.37Å; L122-M314 HydrophobicContact CD2-CE 3.53Å; L122-F318 HydrophobicContact CB-CE2 4.09Å; L122-F318 HydrophobicContact CB-CZ 4.28Å; L122-F318 HydrophobicContact CD1-CE2 4.29Å; L122-F318 HydrophobicContact CD1-CZ 3.75Å; L122-F318 HydrophobicContact CD2-CZ 4.18Å; L122-F318 HydrophobicContact CG-CZ 4.3Å
123G98.4Very high97.3Very high0 Ų040.6 Ų40.60%020%0.199CC..Hα-helixtrans-58.7-38.1174.500000112.5M119 D120 L126 E127 L128M119-G123 PolarHBondContact O-N 3.04Å; D120-G123 PolarHBondContact O-N 3.25Å; G123-L126 PolarHBondContact O-N 3.18Å; G123-E127 PolarHBondContact O-N 3.05Å; G123-E127 VanDerWaalsContact O-N 3.12Å; G123-L128 PolarHBondContact O-N 3.06Å
124K98.1Very high97Very high97 Ų9736.5 Ų36.542%0.42218%0.181SC..Hα-helixtrans-70.2-38174.4-71.5167.5-175.1175.10113.2D120 W121 L122 L126 E127 L133 E135D120-K124 WeakPolarHBondContact O-CB 3.48Å; D120-K124 WeakPolarHBondContact O-CD 3.42Å; D120-K124 WeakPolarHBondContact O-CG 3.48Å; D120-K124 PolarHBondContact O-N 3.26Å; W121-K124 PolarHBondContact O-N 3.08Å; L122-K124 VanDerWaalsContact C-N 3.26Å; L122-K124 PolarHBondContact O-N 2.89Å; K124-L126 PolarHBondContact O-N 3.12Å; K124-E127 PolarHBondContact O-N 3.18Å; K124-L133 HydrophobicContact CG-CD1 4.08Å; K124-E135 WeakPolarHBondContact CE-OE1 3.21Å; K124-E135 IonicContact NZ-OE1 2.61Å; K124-E135 PolarHBondContact NZ-OE1 2.56Å
125M98.6Very high96.3Very high27 Ų2738.9 Ų38.913%0.13319%0.191CC..Hα-helixtrans-60.4-36.5174.7-72.4169.76100111.8W121 L122 E127 I232 R237 V323 L326W121-M125 VanDerWaalsContact O-CG 3.3Å; W121-M125 WeakPolarHBondContact O-CG 3.39Å; W121-M125 PolarHBondContact O-N 2.9Å; L122-M125 HydrophobicContact CD1-SD 4.31Å; L122-M125 WeakPolarHBondContact O-CB 3.02Å; L122-M125 PolarHBondContact O-N 3.35Å; L122-M125 VanDerWaalsContact O-N 3.16Å; M125-E127 VanDerWaalsContact C-N 3.32Å; M125-I232 HydrophobicContact CB-CB 4.4Å; M125-I232 HydrophobicContact CB-CG2 4.07Å; M125-I232 HydrophobicContact CE-CB 4.24Å; M125-I232 HydrophobicContact CE-CD1 4.11Å; M125-I232 HydrophobicContact CE-CG2 4Å; M125-R237 PolarHBondContact O-NH2 3.42Å; M125-V323 HydrophobicContact CE-CB 4.43Å; M125-V323 HydrophobicContact CE-CG1 4.21Å; M125-V323 HydrophobicContact CE-CG2 3.94Å; M125-V323 HydrophobicContact CG-CG2 3.98Å; M125-V323 HydrophobicContact SD-CG2 3.95Å; M125-L326 HydrophobicContact CE-CD1 4.03Å
126L98.4Very high94.8Very high0 Ų048.5 Ų48.50%023%0.232CC..THydrogen-bonded Turntrans-78.7-13.8175.5-64173.5000113.7L122 G123 K124 L128 G228 F231 I232 R237 F249 F251 W267L122-L126 WeakPolarHBondContact O-CG 3.08Å; L122-L126 PolarHBondContact O-N 3.03Å; L122-L126 VanDerWaalsContact O-N 3.09Å; G123-L126 PolarHBondContact O-N 3.18Å; K124-L126 PolarHBondContact O-N 3.12Å; L126-L128 VanDerWaalsContact C-N 3.29Å; L126-L128 HydrophobicContact CB-CD2 4.41Å; L126-L128 HydrophobicContact CB-CG 3.91Å; L126-L128 HydrophobicContact CD1-CD1 3.96Å; L126-L128 HydrophobicContact CD1-CG 4.06Å; L126-L128 PolarHBondContact O-N 3.01Å; L126-G228 VanDerWaalsContact CD2-O 3.24Å; L126-G228 WeakPolarHBondContact CD2-O 3.33Å; L126-F231 HydrophobicContact CD2-CB 3.8Å; L126-I232 HydrophobicContact CD2-CG2 3.81Å; L126-I232 HydrophobicContact CG-CG2 4.48Å; L126-R237 WeakPolarHBondContact O-CD 3.3Å; L126-R237 PolarHBondContact O-NE 2.91Å; L126-F249 HydrophobicContact CD1-CE1 3.83Å; L126-F249 HydrophobicContact CD1-CZ 4.44Å; L126-F251 HydrophobicContact CD1-CD1 4.2Å; L126-F251 HydrophobicContact CD1-CE1 3.67Å; L126-F251 HydrophobicContact CD2-CE1 4.4Å; L126-F251 HydrophobicContact CG-CE1 4.49Å; L126-W267 HydrophobicContact CD1-CH2 4.04Å; L126-W267 HydrophobicContact CD1-CZ3 4.31Å
127E97.9Very high93Very high125 Ų12551.7 Ų51.758%0.58426%0.262SS*.THydrogen-bonded Turntrans55.640.9-167.7-61.1173.2-159.900113G123 K124 M125 R237G123-E127 PolarHBondContact O-N 3.05Å; G123-E127 VanDerWaalsContact O-N 3.12Å; K124-E127 PolarHBondContact O-N 3.18Å; M125-E127 VanDerWaalsContact C-N 3.32Å; E127-R237 IonicContact OE1-CZ 2.75Å; E127-R237 VanDerWaalsContact OE1-CZ 3.22Å; E127-R237 IonicContact OE1-NH1 2.78Å; E127-R237 PolarHBondContact OE1-NH1 3.18Å; E127-R237 IonicContact OE1-NH2 3.41Å; E127-R237 PolarHBondContact OE1-NH2 3.23Å; E127-R237 IonicContact OE2-CZ 3.78Å; E127-R237 IonicContact OE2-NE 3.55Å; E127-R237 IonicContact OE2-NH1 3.3Å; E127-R237 PolarHBondContact OE2-NH1 2.89Å
128L97.8Very high91.4Very high10 Ų1049.4 Ų49.45%0.05225%0.251CS..  trans-60.6148.2172.5-69.2-179.5000111G123 L126 K130 F132 L240 V243 F249 W267G123-L128 PolarHBondContact O-N 3.06Å; L126-L128 VanDerWaalsContact C-N 3.29Å; L126-L128 HydrophobicContact CB-CD2 4.41Å; L126-L128 HydrophobicContact CB-CG 3.91Å; L126-L128 HydrophobicContact CD1-CD1 3.96Å; L126-L128 HydrophobicContact CD1-CG 4.06Å; L126-L128 PolarHBondContact O-N 3.01Å; L128-K130 PolarHBondContact O-N 3.05Å; L128-F132 HydrophobicContact CB-CB 4.43Å; L128-F132 HydrophobicContact CB-CD2 4.43Å; L128-L240 HydrophobicContact CD2-CD2 4.02Å; L128-V243 HydrophobicContact CD2-CG1 4.4Å; L128-V243 HydrophobicContact CD2-CG2 4.1Å; L128-F249 HydrophobicContact CD1-CD1 3.97Å; L128-F249 HydrophobicContact CD1-CE1 4.22Å; L128-F249 HydrophobicContact CD2-CD1 4.06Å; L128-F249 HydrophobicContact CD2-CE1 4.15Å; L128-W267 HydrophobicContact CD1-CD2 3.66Å; L128-W267 HydrophobicContact CD1-CE3 4.02Å; L128-W267 HydrophobicContact CD1-CG 3.94Å; L128-W267 HydrophobicContact CD1-CZ2 4.37Å
129P96.4Very high90.8Very high37 Ų3755.6 Ų55.624%0.2428%0.28CS..  trans-50.1139.7172.4-27.231.8000112.1A131 F132 V243 E244P129-A131 PolarHBondContact O-N 2.77Å; P129-F132 HydrophobicContact CB-CD2 3.98Å; P129-F132 HydrophobicContact CB-CE2 4.36Å; P129-F132 HydrophobicContact CG-CD2 4.01Å; P129-F132 HydrophobicContact CG-CE2 4.04Å; P129-F132 WeakPolarHBondContact O-CB 3.43Å; P129-F132 PolarHBondContact O-N 3.11Å; P129-V243 HydrophobicContact CG-CG1 4.21Å; P129-E244 HydrophobicContact CG-CB 4.04Å
130K95.2Very high90.6Very high162 Ų16255.6 Ų55.670%0.70428%0.28SS*.G310 helixtrans-52.5-28.2179.8-69.2-174.9179.4179.90113.5L128 F132 L133L128-K130 PolarHBondContact O-N 3.05Å; K130-F132 PolarHBondContact O-N 3.3Å; K130-L133 PolarHBondContact O-N 2.85Å
131A94.8Very high90.5Very high37 Ų3754.8 Ų54.831%0.30628%0.276SS..G310 helixtrans-60.6-21.8176.700000113.8P129 G140 K269P129-A131 PolarHBondContact O-N 2.77Å; A131-G140 WeakPolarHBondContact O-CA 3.43Å; A131-G140 PolarHBondContact O-N 3.43Å; A131-G140 VanDerWaalsContact O-N 3.16Å; A131-K269 HydrophobicContact CB-CD 4.47Å; A131-K269 HydrophobicContact CB-CG 3.77Å
132F96.6Very high90.4Very high0 Ų049.8 Ų49.80%026%0.257CS..G310 helixtrans-86.9-16.3174.5-72.2-70.8000113.8L128 P129 K130 G141 V243 A246 W267 V268 K269L128-F132 HydrophobicContact CB-CB 4.43Å; L128-F132 HydrophobicContact CB-CD2 4.43Å; P129-F132 HydrophobicContact CB-CD2 3.98Å; P129-F132 HydrophobicContact CB-CE2 4.36Å; P129-F132 HydrophobicContact CG-CD2 4.01Å; P129-F132 HydrophobicContact CG-CE2 4.04Å; P129-F132 WeakPolarHBondContact O-CB 3.43Å; P129-F132 PolarHBondContact O-N 3.11Å; K130-F132 PolarHBondContact O-N 3.3Å; F132-G141 CarbonylContact O-C 3.59Å; F132-G141 VanDerWaalsContact O-C 3.28Å; F132-G141 WeakPolarHBondContact O-CA 3.19Å; F132-G141 PolarHBondContact O-N 2.77Å; F132-V243 HydrophobicContact CE2-CG2 4.39Å; F132-A246 HydrophobicContact CZ-CB 4.35Å; F132-A246 VanDerWaalsContact CZ-O 3.32Å; F132-A246 WeakPolarHBondContact CZ-O 3.37Å; F132-W267 HydrophobicContact CB-CB 4.04Å; F132-W267 HydrophobicContact CB-CG 4.32Å; F132-W267 HydrophobicContact CD1-CB 3.63Å; F132-W267 HydrophobicContact CE1-CB 4.43Å; F132-W267 HydrophobicContact CG-CB 4.15Å; F132-W267 VanDerWaalsContact O-CD1 3.29Å; F132-V268 VanDerWaalsContact CD1-C 3.49Å; F132-K269 HydrophobicContact CD1-CB 4.32Å; F132-K269 HydrophobicContact CE1-CB 3.93Å; F132-K269 HydrophobicContact CZ-CB 4.31Å
133L94.9Very high90.4Very high8 Ų849.8 Ų49.84%0.04226%0.257CS..SBendtrans-80.6151.6-175.2-53.8-177.4000111K124 K130 E135K124-L133 HydrophobicContact CG-CD1 4.08Å; K130-L133 PolarHBondContact O-N 2.85Å; L133-E135 HydrophobicContact CB-CG 4.43Å; L133-E135 PolarHBondContact O-N 3.32Å
134N90.3Very high90.4Very high16 Ų1649.8 Ų49.89%0.08626%0.257CS..  trans-76.3-10.7178.2-59.8-80.4000113.2T116 D120 G141 G142T116-N134 HydrophobicContact CG2-CB 3.38Å; T116-N134 PolarHBondContact O-ND2 3.16Å; D120-N134 VanDerWaalsContact OD1-CB 3.28Å; D120-N134 WeakPolarHBondContact OD1-CB 3.45Å; D120-N134 PolarHBondContact OD1-N 3.03Å; D120-N134 PolarHBondContact OD1-ND2 3.11Å; N134-G141 WeakPolarHBondContact OD1-CA 3.1Å; N134-G142 PolarHBondContact ND2-N 2.65Å; N134-G142 PolarHBondContact OD1-N 3.04Å
135E82.4Confident90.4Very high82 Ų8245.2 Ų45.238%0.38324%0.237SC..SBendtrans-54.3149.9178.2-59.5-169.8154.200112.4D120 K124 L133 A137 G138D120-E135 VanDerWaalsContact OD2-CG 3.32Å; D120-E135 WeakPolarHBondContact OD2-CG 3.15Å; D120-E135 PolarHBondContact OD2-N 2.96Å; K124-E135 WeakPolarHBondContact CE-OE1 3.21Å; K124-E135 IonicContact NZ-OE1 2.61Å; K124-E135 PolarHBondContact NZ-OE1 2.56Å; L133-E135 HydrophobicContact CB-CG 4.43Å; L133-E135 PolarHBondContact O-N 3.32Å; E135-A137 PolarHBondContact O-N 2.78Å; E135-G138 PolarHBondContact O-N 2.92Å
136K66.4Low90.4Very high203 Ų20344.3 Ų44.388%0.88324%0.235SC*.THydrogen-bonded Turntrans-52.7-17.1-173.2-69.8-173.2176.5-176.70116.2
137A58Low90.4Very high98 Ų9846 Ų4681%0.8125%0.247SC*.THydrogen-bonded Turntrans-85.7-9.4178.600000114E135E135-A137 PolarHBondContact O-N 2.78Å
138G64.2Low90.3Very high14 Ų1440.5 Ų40.514%0.14422%0.223CC..  trans-110.2142.7-176.400000113.9E135 G140E135-G138 PolarHBondContact O-N 2.92Å; G138-G140 VanDerWaalsContact C-N 3.33Å
139E85.4Confident90.3Very high129 Ų12944.5 Ų44.560%0.60325%0.252SS*.SBendtrans-81.1-15.8170.1-65.9-177.8176.100112.3K269 R271E139-K269 CarbonylContact C-O 3.17Å; E139-R271 WeakPolarHBondContact O-CB 3.28Å; E139-R271 WeakPolarHBondContact O-CG 3.33Å; E139-R271 PolarHBondContact O-N 3.35Å; E139-R271 PolarHBondContact O-NE 3.43Å; E139-R271 VanDerWaalsContact O-NE 3.12Å
140G93.9Very high90.3Very high0 Ų044.4 Ų44.40%025%0.248CC..  trans-88.9-157.1-178.300000114A131 G138 V268 K269 R271A131-G140 WeakPolarHBondContact O-CA 3.43Å; A131-G140 PolarHBondContact O-N 3.43Å; A131-G140 VanDerWaalsContact O-N 3.16Å; G138-G140 VanDerWaalsContact C-N 3.33Å; G140-V268 CarbonylContact C-O 3.57Å; G140-V268 WeakPolarHBondContact CA-O 3.49Å; G140-K269 VanDerWaalsContact CA-O 3.23Å; G140-K269 WeakPolarHBondContact CA-O 3.38Å; G140-K269 PolarHBondContact N-O 3.1Å; G140-K269 VanDerWaalsContact N-O 3.11Å; G140-R271 PolarHBondContact O-NE 3.02Å; G140-R271 PolarHBondContact O-NH2 3.18Å
141G95.5Very high90.4Very high0 Ų036.7 Ų36.70%021%0.214CC..EExtended strand (participates in β ladder)trans166.1174.7177.400000111.8F132 N134 W267 V268F132-G141 CarbonylContact O-C 3.59Å; F132-G141 VanDerWaalsContact O-C 3.28Å; F132-G141 WeakPolarHBondContact O-CA 3.19Å; F132-G141 PolarHBondContact O-N 2.77Å; N134-G141 WeakPolarHBondContact OD1-CA 3.1Å; G141-W267 VanDerWaalsContact O-CA 3.32Å; G141-W267 WeakPolarHBondContact O-CA 3.44Å; G141-V268 PolarHBondContact N-O 3.41Å; G141-V268 PolarHBondContact O-N 3.11Å
142G97.1Very high90.5Very high0 Ų036.7 Ų36.70%021%0.21CC..EExtended strand (participates in β ladder)trans-121.7146.917900000112.4N134 M266 Y298N134-G142 PolarHBondContact ND2-N 2.65Å; N134-G142 PolarHBondContact OD1-N 3.04Å; G142-M266 CarbonylContact C-O 3.57Å; G142-M266 VanDerWaalsContact CA-O 3.22Å; G142-M266 WeakPolarHBondContact CA-O 3.32Å; G142-Y298 VanDerWaalsContact O-CE1 3.26Å; G142-Y298 WeakPolarHBondContact O-CE1 3.22Å; G142-Y298 PolarHBondContact O-OH 3.02Å
143V97.8Very high90.5Very high1 Ų140.4 Ų40.41%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-136.3146.1178.961.10000110.7Q145 M266 Y298 W301V143-Q145 HydrophobicContact CG1-CG 4.49Å; V143-Q145 VanDerWaalsContact CG1-NE2 3.34Å; V143-M266 HydrophobicContact CG1-CB 4.14Å; V143-M266 PolarHBondContact N-O 3.35Å; V143-M266 PolarHBondContact O-N 3.46Å; V143-Y298 HydrophobicContact CB-CD1 3.86Å; V143-Y298 HydrophobicContact CB-CE1 3.89Å; V143-Y298 HydrophobicContact CG2-CD1 3.55Å; V143-Y298 HydrophobicContact CG2-CE1 4.04Å; V143-Y298 HydrophobicContact CG2-CG 4.3Å; V143-W301 HydrophobicContact CB-CB 4.29Å; V143-W301 HydrophobicContact CB-CE3 4.05Å; V143-W301 HydrophobicContact CG1-CB 4.35Å; V143-W301 HydrophobicContact CG1-CE3 4.09Å; V143-W301 HydrophobicContact CG2-CB 4.05Å
144I98.5Very high90.6Very high0 Ų040 Ų400%023%0.228CC..EExtended strand (participates in β ladder)trans-94.8110.8174.5-52.4169.1000110.4E115 M119 S264 R310 M314E115-I144 HydrophobicContact CG-CD1 3.76Å; E115-I144 HydrophobicContact CG-CG1 3.85Å; E115-I144 PolarHBondContact OE1-N 3.46Å; M119-I144 HydrophobicContact CG-CG1 4.3Å; M119-I144 HydrophobicContact SD-CG1 3.7Å; I144-S264 CarbonylContact C-O 3.58Å; I144-S264 WeakPolarHBondContact CA-O 3.22Å; I144-R310 HydrophobicContact CB-CB 4.37Å; I144-R310 HydrophobicContact CD1-CB 4.22Å; I144-R310 HydrophobicContact CG2-CB 3.84Å; I144-R310 HydrophobicContact CG2-CG 4.38Å; I144-R310 PolarHBondContact O-NH1 3.19Å; I144-R310 VanDerWaalsContact O-NH1 3.1Å; I144-M314 HydrophobicContact CD1-SD 3.44Å; I144-M314 WeakPolarHBondContact CD1-SD 3.36Å; I144-M314 HydrophobicContact CG1-SD 4.01Å
145Q98.3Very high90.8Very high0 Ų039.3 Ų39.30%022%0.224CC..EExtended strand (participates in β ladder)trans-90170.6172.4-53.6-63-5.900111.7V143 E150 A151 S264 M266 W301 Q302V143-Q145 HydrophobicContact CG1-CG 4.49Å; V143-Q145 VanDerWaalsContact CG1-NE2 3.34Å; Q145-E150 HydrophobicContact CB-CG 4.46Å; Q145-A151 HydrophobicContact CG-CB 4.13Å; Q145-S264 PolarHBondContact N-O 3.15Å; Q145-S264 PolarHBondContact O-N 3.08Å; Q145-M266 HydrophobicContact CG-CB 4.16Å; Q145-M266 HydrophobicContact CG-SD 4.34Å; Q145-W301 PolarHBondContact NE2-O 3.16Å; Q145-Q302 VanDerWaalsContact OE1-CB 3.31Å
146G97.6Very high91.4Very high9 Ų940 Ų409%0.09323%0.23CC..SBendtrans-74.7-38.4173.900000112.8E150 D262G146-E150 WeakPolarHBondContact CA-OE2 3.45Å; G146-E150 PolarHBondContact N-OE2 3.18Å; G146-D262 WeakPolarHBondContact CA-OD2 3.4Å
147S98.4Very high92.8Very high36 Ų3632.1 Ų32.125%0.25220%0.197SC..  trans-147.1161.1-176.568.70000112.9S149 E150 A151 S264S147-S149 PolarHBondContact O-N 3.17Å; S147-E150 PolarHBondContact O-N 3.31Å; S147-E150 WeakPolarHBondContact OG-CB 3.3Å; S147-E150 PolarHBondContact OG-N 3.16Å; S147-A151 PolarHBondContact O-N 2.75Å; S147-S264 VanDerWaalsContact C-CB 3.44Å
148A97.1Very high94.6Very high9 Ų927.4 Ų27.47%0.07416%0.159CC..Hα-helixtrans-60.3-37.8170.800000111.1E150 A151 T152 A225 N250 S264A148-E150 VanDerWaalsContact C-N 3.34Å; A148-E150 PolarHBondContact O-N 3.15Å; A148-A151 WeakPolarHBondContact O-CB 3.25Å; A148-A151 PolarHBondContact O-N 2.89Å; A148-A151 VanDerWaalsContact O-N 3.11Å; A148-T152 PolarHBondContact O-N 3.36Å; A148-T152 PolarHBondContact O-OG1 2.76Å; A148-T152 VanDerWaalsContact O-OG1 3.1Å; A148-A225 HydrophobicContact CB-CB 3.86Å; A148-N250 WeakPolarHBondContact CB-ND2 3.41Å; A148-S264 PolarHBondContact N-OG 3.27Å
149S96.9Very high96Very high94 Ų9427.5 Ų27.566%0.65716%0.158SC*.Hα-helixtrans-61.1-41.3176.5-53.50000112.5S147 L153S147-S149 PolarHBondContact O-N 3.17Å; S149-L153 WeakPolarHBondContact O-CB 3.47Å; S149-L153 PolarHBondContact O-N 2.75Å
150E97.5Very high96.4Very high34 Ų3426.5 Ų26.516%0.15915%0.148CC..Hα-helixtrans-63.9-43.7172.5-177.4178.7-159.100111.1Q145 G146 S147 A148 T152 L153 V154 I303 P304Q145-E150 HydrophobicContact CB-CG 4.46Å; G146-E150 WeakPolarHBondContact CA-OE2 3.45Å; G146-E150 PolarHBondContact N-OE2 3.18Å; S147-E150 PolarHBondContact O-N 3.31Å; S147-E150 WeakPolarHBondContact OG-CB 3.3Å; S147-E150 PolarHBondContact OG-N 3.16Å; A148-E150 VanDerWaalsContact C-N 3.34Å; A148-E150 PolarHBondContact O-N 3.15Å; E150-T152 PolarHBondContact O-N 3.29Å; E150-L153 PolarHBondContact O-N 2.86Å; E150-V154 HydrophobicContact CG-CG2 4.47Å; E150-V154 WeakPolarHBondContact O-CB 3.44Å; E150-V154 VanDerWaalsContact O-CG2 3.26Å; E150-V154 WeakPolarHBondContact O-CG2 3.26Å; E150-V154 PolarHBondContact O-N 2.94Å; E150-I303 HydrophobicContact CG-CD1 4.27Å; E150-P304 WeakPolarHBondContact OE1-CD 3.48Å
151A97.6Very high96.4Very high0 Ų027.1 Ų27.10%015%0.153CC..Hα-helixtrans-60.4-45.1176.700000112.7Q145 S147 A148 V154 A155 N250 M266Q145-A151 HydrophobicContact CG-CB 4.13Å; S147-A151 PolarHBondContact O-N 2.75Å; A148-A151 WeakPolarHBondContact O-CB 3.25Å; A148-A151 PolarHBondContact O-N 2.89Å; A148-A151 VanDerWaalsContact O-N 3.11Å; A151-V154 PolarHBondContact O-N 3.47Å; A151-A155 PolarHBondContact O-N 2.98Å; A151-N250 HydrophobicContact CB-CB 3.99Å; A151-M266 HydrophobicContact CB-CB 4.02Å; A151-M266 HydrophobicContact CB-CG 4.1Å; A151-M266 HydrophobicContact CB-SD 3.73Å; A151-M266 WeakPolarHBondContact O-CE 3.49Å
152T95.9Very high96.3Very high37 Ų3729.8 Ų29.823%0.22716%0.164CC..Hα-helixtrans-65.1-40.1176.2-55.80000111.7A148 E150 A155 L156 V192 H221A148-T152 PolarHBondContact O-N 3.36Å; A148-T152 PolarHBondContact O-OG1 2.76Å; A148-T152 VanDerWaalsContact O-OG1 3.1Å; E150-T152 PolarHBondContact O-N 3.29Å; T152-A155 PolarHBondContact O-N 3.39Å; T152-L156 WeakPolarHBondContact O-CB 3.5Å; T152-L156 PolarHBondContact O-N 2.88Å; T152-V192 HydrophobicContact CG2-CG2 4.27Å; T152-H221 WeakPolarHBondContact CA-NE2 3.48Å; T152-H221 PolarHBondContact OG1-NE2 2.97Å
153L96.1Very high96.1Very high78 Ų7831.6 Ų31.641%0.40818%0.175SC..Hα-helixtrans-64.1-42.7174.5178.458.3000111.6S149 E150 A155 L156 L157 I303S149-L153 WeakPolarHBondContact O-CB 3.47Å; S149-L153 PolarHBondContact O-N 2.75Å; E150-L153 PolarHBondContact O-N 2.86Å; L153-A155 VanDerWaalsContact C-N 3.34Å; L153-A155 PolarHBondContact O-N 2.73Å; L153-L156 PolarHBondContact O-N 3.3Å; L153-L157 HydrophobicContact CD1-CD1 4.1Å; L153-L157 HydrophobicContact CD1-CG 4.08Å; L153-L157 HydrophobicContact CG-CD1 4.07Å; L153-L157 HydrophobicContact CG-CG 4.47Å; L153-L157 WeakPolarHBondContact O-CB 3.31Å; L153-L157 VanDerWaalsContact O-CG 3.28Å; L153-L157 WeakPolarHBondContact O-CG 3.44Å; L153-L157 PolarHBondContact O-N 2.97Å; L153-I303 HydrophobicContact CD2-CD1 3.52Å; L153-I303 HydrophobicContact CG-CD1 3.95Å
154V97.1Very high95.9Very high0 Ų031.8 Ų31.80%018%0.176CC..Hα-helixtrans-59.2-45.5174.61660000110.7E150 A151 L157 A158 M266 L274 F278 I303E150-V154 HydrophobicContact CG-CG2 4.47Å; E150-V154 WeakPolarHBondContact O-CB 3.44Å; E150-V154 VanDerWaalsContact O-CG2 3.26Å; E150-V154 WeakPolarHBondContact O-CG2 3.26Å; E150-V154 PolarHBondContact O-N 2.94Å; A151-V154 PolarHBondContact O-N 3.47Å; V154-L157 PolarHBondContact O-N 2.99Å; V154-A158 WeakPolarHBondContact O-CB 3.48Å; V154-A158 PolarHBondContact O-N 3.1Å; V154-M266 HydrophobicContact CB-CE 4.36Å; V154-M266 HydrophobicContact CB-SD 4.28Å; V154-M266 HydrophobicContact CG1-CE 3.93Å; V154-M266 HydrophobicContact CG1-SD 4Å; V154-L274 HydrophobicContact CG1-CD1 4.46Å; V154-L274 HydrophobicContact CG1-CD2 3.63Å; V154-F278 HydrophobicContact CB-CE2 4.46Å; V154-F278 HydrophobicContact CB-CZ 4.39Å; V154-F278 HydrophobicContact CG1-CE2 3.8Å; V154-F278 HydrophobicContact CG1-CZ 4.22Å; V154-F278 HydrophobicContact CG2-CZ 4.28Å; V154-I303 HydrophobicContact CG2-CD1 4.32Å; V154-I303 HydrophobicContact CG2-CG1 3.89Å
155A96.1Very high95.6Very high1 Ų135.8 Ų35.81%0.00819%0.194CC..Hα-helixtrans-61.2-45176.200000112.2A151 T152 L153 A158 A159 H221 M266A151-A155 PolarHBondContact O-N 2.98Å; T152-A155 PolarHBondContact O-N 3.39Å; L153-A155 VanDerWaalsContact C-N 3.34Å; L153-A155 PolarHBondContact O-N 2.73Å; A155-A158 PolarHBondContact O-N 2.83Å; A155-A159 WeakPolarHBondContact O-CB 3.25Å; A155-A159 PolarHBondContact O-N 2.85Å; A155-H221 HydrophobicContact CB-CB 4.16Å; A155-M266 HydrophobicContact CB-CE 3.87Å
156L94.4Very high95.3Very high97 Ų9741 Ų4151%0.50821%0.214SC..Hα-helixtrans-62.1-44.6178.1178.463.9000112.3T152 L153 A158 A159 R160T152-L156 WeakPolarHBondContact O-CB 3.5Å; T152-L156 PolarHBondContact O-N 2.88Å; L153-L156 PolarHBondContact O-N 3.3Å; L156-A158 VanDerWaalsContact C-N 3.33Å; L156-A159 PolarHBondContact O-N 3.26Å; L156-R160 WeakPolarHBondContact O-CB 3.44Å; L156-R160 PolarHBondContact O-N 3.4Å
157L95.1Very high95.1Very high37 Ų3743.5 Ų43.519%0.19423%0.225CC..Hα-helixtrans-66.7-35.7178.5-69.5174000112L153 V154 T161 F278L153-L157 HydrophobicContact CD1-CD1 4.1Å; L153-L157 HydrophobicContact CD1-CG 4.08Å; L153-L157 HydrophobicContact CG-CD1 4.07Å; L153-L157 HydrophobicContact CG-CG 4.47Å; L153-L157 WeakPolarHBondContact O-CB 3.31Å; L153-L157 VanDerWaalsContact O-CG 3.28Å; L153-L157 WeakPolarHBondContact O-CG 3.44Å; L153-L157 PolarHBondContact O-N 2.97Å; V154-L157 PolarHBondContact O-N 2.99Å; L157-T161 WeakPolarHBondContact O-CB 3.02Å; L157-T161 PolarHBondContact O-N 3.41Å; L157-T161 PolarHBondContact O-OG1 3.43Å; L157-F278 HydrophobicContact CB-CE1 4.25Å; L157-F278 HydrophobicContact CB-CZ 3.68Å; L157-F278 HydrophobicContact CD1-CE1 3.82Å; L157-F278 HydrophobicContact CD1-CZ 3.87Å; L157-F278 HydrophobicContact CG-CZ 4.44Å
158A95.8Very high94.8Very high0 Ų044 Ų440%022%0.223CC..Hα-helixtrans-65-48.8172.400000111.5V154 A155 L156 R160 T161 K162 W219 L274 A277V154-A158 WeakPolarHBondContact O-CB 3.48Å; V154-A158 PolarHBondContact O-N 3.1Å; A155-A158 PolarHBondContact O-N 2.83Å; L156-A158 VanDerWaalsContact C-N 3.33Å; A158-R160 PolarHBondContact O-N 3.06Å; A158-T161 PolarHBondContact O-N 3.27Å; A158-K162 WeakPolarHBondContact O-CB 3.35Å; A158-K162 PolarHBondContact O-N 2.83Å; A158-W219 HydrophobicContact CB-CH2 3.91Å; A158-W219 HydrophobicContact CB-CZ2 4.33Å; A158-W219 HydrophobicContact CB-CZ3 4.33Å; A158-L274 HydrophobicContact CB-CD2 3.69Å; A158-A277 HydrophobicContact CB-CB 4.46Å
159A94.3Very high94.6Very high15 Ų1547.5 Ų47.512%0.12425%0.252CS..Hα-helixtrans-55.9-48.8176.100000112.1A155 L156 T161 K162 V163 W219A155-A159 WeakPolarHBondContact O-CB 3.25Å; A155-A159 PolarHBondContact O-N 2.85Å; L156-A159 PolarHBondContact O-N 3.26Å; A159-T161 VanDerWaalsContact C-N 3.34Å; A159-T161 PolarHBondContact O-N 3.05Å; A159-K162 PolarHBondContact O-N 2.95Å; A159-V163 WeakPolarHBondContact O-CG2 3.33Å; A159-V163 PolarHBondContact O-N 3.3Å; A159-W219 HydrophobicContact CB-CB 3.48Å; A159-W219 VanDerWaalsContact CB-CB 3.48Å; A159-W219 HydrophobicContact CB-CD2 3.66Å; A159-W219 HydrophobicContact CB-CE3 3.84Å; A159-W219 HydrophobicContact CB-CG 3.51Å
160R94Very high94.5Very high108 Ų10846.8 Ų46.841%0.40825%0.252SS..Hα-helixtrans-56.2-49.1176-177.6-159.666.8-169-2.2111.3L156 A158 V163 I164 L183L156-R160 WeakPolarHBondContact O-CB 3.44Å; L156-R160 PolarHBondContact O-N 3.4Å; A158-R160 PolarHBondContact O-N 3.06Å; R160-V163 PolarHBondContact O-N 3.01Å; R160-I164 HydrophobicContact CG-CD1 4.06Å; R160-I164 WeakPolarHBondContact O-CG1 3.28Å; R160-I164 PolarHBondContact O-N 3.45Å; R160-L183 HydrophobicContact CG-CD1 3.77Å
161T94.3Very high94.4Very high14 Ų1447 Ų479%0.08626%0.257CS..Hα-helixtrans-67.7-38.9-176.3-52.80000111.6L157 A158 A159 V163 I164 H165 A277L157-T161 WeakPolarHBondContact O-CB 3.02Å; L157-T161 PolarHBondContact O-N 3.41Å; L157-T161 PolarHBondContact O-OG1 3.43Å; A158-T161 PolarHBondContact O-N 3.27Å; A159-T161 VanDerWaalsContact C-N 3.34Å; A159-T161 PolarHBondContact O-N 3.05Å; T161-V163 PolarHBondContact O-N 2.85Å; T161-I164 PolarHBondContact O-N 3.24Å; T161-H165 VanDerWaalsContact CG2-CE1 3.49Å; T161-H165 WeakPolarHBondContact CG2-CE1 3.18Å; T161-H165 PolarHBondContact O-N 3.48Å; T161-A277 HydrophobicContact CG2-CB 4.25Å
162K93Very high94.1Very high56 Ų5652.1 Ų52.124%0.24329%0.29CS..Hα-helixtrans-57.3-46.3173.1-177.5176-179.1171.30111.8A158 A159 H165 R166 W219 D247 D273A158-K162 WeakPolarHBondContact O-CB 3.35Å; A158-K162 PolarHBondContact O-N 2.83Å; A159-K162 PolarHBondContact O-N 2.95Å; K162-H165 PolarHBondContact O-N 3.11Å; K162-R166 WeakPolarHBondContact O-CB 3.4Å; K162-R166 PolarHBondContact O-N 3.41Å; K162-W219 HydrophobicContact CD-CE3 3.95Å; K162-W219 HydrophobicContact CD-CZ3 3.86Å; K162-D247 IonicContact NZ-OD1 3.35Å; K162-D247 PolarHBondContact NZ-OD1 3.3Å; K162-D273 IonicContact NZ-OD1 2.72Å; K162-D273 IonicContact NZ-OD2 3.8Å; K162-D273 PolarHBondContact NZ-OD2 3.3Å
163V92.9Very high94.1Very high37 Ų3757 Ų5722%0.22431%0.311CS..Hα-helixtrans-63.7-43.2176.21720000111.7A159 R160 T161 R166 L167 L183A159-V163 WeakPolarHBondContact O-CG2 3.33Å; A159-V163 PolarHBondContact O-N 3.3Å; R160-V163 PolarHBondContact O-N 3.01Å; T161-V163 PolarHBondContact O-N 2.85Å; V163-R166 PolarHBondContact O-N 2.83Å; V163-L167 HydrophobicContact CG1-CD1 3.9Å; V163-L167 HydrophobicContact CG1-CG 4.35Å; V163-L167 WeakPolarHBondContact O-CG 3.29Å; V163-L167 PolarHBondContact O-N 3.46Å; V163-L183 HydrophobicContact CG1-CD2 3.95Å
164I93.3Very high93.9Very high6 Ų655.7 Ų55.73%0.03130%0.304CS..Hα-helixtrans-57.5-53175.9-69.6166.5000110.2R160 T161 R166 L167 Q168 Q176 I179 M180 L183R160-I164 HydrophobicContact CG-CD1 4.06Å; R160-I164 WeakPolarHBondContact O-CG1 3.28Å; R160-I164 PolarHBondContact O-N 3.45Å; T161-I164 PolarHBondContact O-N 3.24Å; I164-R166 VanDerWaalsContact C-N 3.32Å; I164-R166 PolarHBondContact O-N 3.13Å; I164-L167 PolarHBondContact O-N 3.32Å; I164-Q168 HydrophobicContact CG2-CG 4.29Å; I164-Q168 WeakPolarHBondContact O-CG 3.22Å; I164-Q168 PolarHBondContact O-N 3.04Å; I164-Q176 HydrophobicContact CG2-CB 4.29Å; I164-Q176 HydrophobicContact CG2-CG 3.8Å; I164-I179 HydrophobicContact CG1-CG2 3.95Å; I164-I179 HydrophobicContact CG2-CD1 4.46Å; I164-M180 HydrophobicContact CD1-CG 3.56Å; I164-M180 HydrophobicContact CD1-SD 4.1Å; I164-M180 HydrophobicContact CG1-CG 4.37Å; I164-L183 HydrophobicContact CD1-CD1 4.34Å; I164-L183 HydrophobicContact CG1-CD1 4.01Å
165H92.3Very high93.7Very high83 Ų8359.7 Ų59.738%0.38433%0.329SS..Hα-helixtrans-59.8-41.2-179.7-68.4167.4000112.4T161 K162 Q168 A169T161-H165 VanDerWaalsContact CG2-CE1 3.49Å; T161-H165 WeakPolarHBondContact CG2-CE1 3.18Å; T161-H165 PolarHBondContact O-N 3.48Å; K162-H165 PolarHBondContact O-N 3.11Å; H165-Q168 PolarHBondContact O-N 3.43Å; H165-A169 WeakPolarHBondContact O-CB 3.26Å; H165-A169 PolarHBondContact O-N 2.91Å
166R92.2Very high93.4Very high110 Ų11064.1 Ų64.142%0.41535%0.349SS..Hα-helixtrans-60.6-47.8176.2-176-173.466.2-176.20.6111.9K162 V163 I164 A169 A170 D217K162-R166 WeakPolarHBondContact O-CB 3.4Å; K162-R166 PolarHBondContact O-N 3.41Å; V163-R166 PolarHBondContact O-N 2.83Å; I164-R166 VanDerWaalsContact C-N 3.32Å; I164-R166 PolarHBondContact O-N 3.13Å; R166-A169 PolarHBondContact O-N 3.04Å; R166-A170 PolarHBondContact O-N 3.06Å; R166-A170 VanDerWaalsContact O-N 3.12Å; R166-D217 IonicContact CZ-OD2 3.04Å; R166-D217 VanDerWaalsContact NH1-CG 3.26Å; R166-D217 IonicContact NH1-OD2 3.45Å; R166-D217 PolarHBondContact NH1-OD2 2.98Å
167L93Very high93.2Very high62 Ų6262.5 Ų62.533%0.32535%0.35SS..Hα-helixtrans-68-38.9-179.5-70.3176.3000112.1V163 I164 A169 A170 S171 I179V163-L167 HydrophobicContact CG1-CD1 3.9Å; V163-L167 HydrophobicContact CG1-CG 4.35Å; V163-L167 WeakPolarHBondContact O-CG 3.29Å; V163-L167 PolarHBondContact O-N 3.46Å; I164-L167 PolarHBondContact O-N 3.32Å; L167-A169 VanDerWaalsContact C-N 3.34Å; L167-A170 PolarHBondContact O-N 2.91Å; L167-S171 PolarHBondContact O-N 2.61Å; L167-I179 HydrophobicContact CB-CD1 3.88Å; L167-I179 HydrophobicContact CB-CG1 4.41Å; L167-I179 HydrophobicContact CD1-CG2 3.71Å
168Q93Very high93Very high46 Ų4662.1 Ų62.122%0.21535%0.352CS..Hα-helixtrans-65.7-36.4173.9-68-169.1-69.400112.4I164 H165 A170 S171 P172 L174 Q176 I179I164-Q168 HydrophobicContact CG2-CG 4.29Å; I164-Q168 WeakPolarHBondContact O-CG 3.22Å; I164-Q168 PolarHBondContact O-N 3.04Å; H165-Q168 PolarHBondContact O-N 3.43Å; Q168-A170 VanDerWaalsContact C-N 3.31Å; Q168-A170 PolarHBondContact O-N 3.14Å; Q168-S171 CarbonylContact O-C 3.55Å; Q168-S171 PolarHBondContact O-N 3.07Å; Q168-P172 WeakPolarHBondContact O-CA 3.43Å; Q168-P172 VanDerWaalsContact O-N 3.09Å; Q168-L174 PolarHBondContact NE2-O 3.42Å; Q168-L174 VanDerWaalsContact NE2-O 3.16Å; Q168-Q176 VanDerWaalsContact NE2-CG 3.32Å; Q168-I179 HydrophobicContact CB-CD1 4.45Å; Q168-I179 HydrophobicContact CG-CD1 3.32Å
169A92.8Very high92.8Very high82 Ų8262.4 Ų62.468%0.67835%0.353SS*.Hα-helixtrans-65.9-34.8175.300000112.3H165 R166 L167H165-A169 WeakPolarHBondContact O-CB 3.26Å; H165-A169 PolarHBondContact O-N 2.91Å; R166-A169 PolarHBondContact O-N 3.04Å; L167-A169 VanDerWaalsContact C-N 3.34Å
170A94.2Very high92.6Very high79 Ų7965.6 Ų65.665%0.65337%0.366SS*.Hα-helixtrans-77.8-29.8175.700000113.2R166 L167 Q168R166-A170 PolarHBondContact O-N 3.06Å; R166-A170 VanDerWaalsContact O-N 3.12Å; L167-A170 PolarHBondContact O-N 2.91Å; Q168-A170 VanDerWaalsContact C-N 3.31Å; Q168-A170 PolarHBondContact O-N 3.14Å
171S94.8Very high92.4Very high39 Ų3968.4 Ų68.427%0.27338%0.384SS..  trans-140.380.7-176.5-63.60000110.2L167 Q168 E173 L174L167-S171 PolarHBondContact O-N 2.61Å; Q168-S171 CarbonylContact O-C 3.55Å; Q168-S171 PolarHBondContact O-N 3.07Å; S171-E173 WeakPolarHBondContact CA-OE2 3.33Å; S171-E173 WeakPolarHBondContact CB-OE1 3.29Å; S171-E173 PolarHBondContact O-N 3.02Å; S171-E173 VanDerWaalsContact O-N 3.1Å; S171-L174 WeakPolarHBondContact O-CB 3.44Å; S171-L174 PolarHBondContact O-N 3.16Å
172P92.6Very high92Very high107 Ų10775.1 Ų75.170%0.69541%0.412SS*.THydrogen-bonded Turntrans-60.5-20.3-173.6-25.836.1000115.2Q168 L174Q168-P172 WeakPolarHBondContact O-CA 3.43Å; Q168-P172 VanDerWaalsContact O-N 3.09Å; P172-L174 VanDerWaalsContact C-N 3.29Å
173E94.6Very high91.7Very high141 Ų14175.5 Ų75.566%0.65942%0.416SS*.THydrogen-bonded Turntrans-72.2-20.217572.1-74.817800113.5S171 T175S171-E173 WeakPolarHBondContact CA-OE2 3.33Å; S171-E173 WeakPolarHBondContact CB-OE1 3.29Å; S171-E173 PolarHBondContact O-N 3.02Å; S171-E173 VanDerWaalsContact O-N 3.1Å; E173-T175 PolarHBondContact O-N 3.37Å
174L92.7Very high91Very high50 Ų5078.4 Ų78.426%0.26243%0.434SS..  trans-75.3118.3178-65.9-179.1000110.6Q168 S171 P172 I179Q168-L174 PolarHBondContact NE2-O 3.42Å; Q168-L174 VanDerWaalsContact NE2-O 3.16Å; S171-L174 WeakPolarHBondContact O-CB 3.44Å; S171-L174 PolarHBondContact O-N 3.16Å; P172-L174 VanDerWaalsContact C-N 3.29Å; L174-I179 HydrophobicContact CB-CD1 3.93Å; L174-I179 HydrophobicContact CB-CG1 3.97Å; L174-I179 HydrophobicContact CD1-CD1 4.49Å; L174-I179 HydrophobicContact CD1-CG1 4.16Å
175T92.8Very high89.9Confident84 Ų8482.1 Ų82.152%0.51547%0.466SS..  trans-69.9153.1169.9700000110.2E173 A177 A178 I179E173-T175 PolarHBondContact O-N 3.37Å; T175-A177 PolarHBondContact O-N 3.29Å; T175-A178 PolarHBondContact O-N 2.91Å; T175-A178 VanDerWaalsContact O-N 3.16Å; T175-A178 WeakPolarHBondContact OG1-CB 3.48Å; T175-A178 PolarHBondContact OG1-N 3.34Å; T175-I179 PolarHBondContact O-N 3.23Å; T175-I179 VanDerWaalsContact O-N 3.17Å
176Q89.1Confident88.7Confident94 Ų9486.3 Ų86.344%0.43948%0.479SS..Hα-helixtrans-55.8-39.5174.6-67.9-171.8-25.600111.6I164 Q168 I179 M180I164-Q176 HydrophobicContact CG2-CB 4.29Å; I164-Q176 HydrophobicContact CG2-CG 3.8Å; Q168-Q176 VanDerWaalsContact NE2-CG 3.32Å; Q176-I179 PolarHBondContact O-N 3.01Å; Q176-M180 HydrophobicContact CB-CE 4.34Å; Q176-M180 WeakPolarHBondContact O-CB 3.39Å; Q176-M180 VanDerWaalsContact O-CG 3.3Å; Q176-M180 WeakPolarHBondContact O-CG 3.33Å; Q176-M180 PolarHBondContact O-N 2.72Å
177A90.2Very high87Confident63 Ų6386.7 Ų86.752%0.52150%0.499SS..Hα-helixtrans-60.1-46.5177.800000112T175 I179 M180 E181T175-A177 PolarHBondContact O-N 3.29Å; A177-I179 VanDerWaalsContact C-N 3.28Å; A177-I179 PolarHBondContact O-N 3.17Å; A177-M180 PolarHBondContact O-N 3.05Å; A177-E181 PolarHBondContact O-N 3.14Å
178A91.9Very high85.3Confident29 Ų2986.7 Ų86.724%0.2450%0.504CS..Hα-helixtrans-65.5-30.2179.500000113.2T175T175-A178 PolarHBondContact O-N 2.91Å; T175-A178 VanDerWaalsContact O-N 3.16Å; T175-A178 WeakPolarHBondContact OG1-CB 3.48Å; T175-A178 PolarHBondContact OG1-N 3.34Å
179I91.8Very high83.5Confident5 Ų591.9 Ų91.93%0.02653%0.533CS..Hα-helixtrans-73.9-49.7172.9-66163.3000110.1I164 L167 Q168 L174 T175 Q176 A177 E181 K182 L183I164-I179 HydrophobicContact CG1-CG2 3.95Å; I164-I179 HydrophobicContact CG2-CD1 4.46Å; L167-I179 HydrophobicContact CB-CD1 3.88Å; L167-I179 HydrophobicContact CB-CG1 4.41Å; L167-I179 HydrophobicContact CD1-CG2 3.71Å; Q168-I179 HydrophobicContact CB-CD1 4.45Å; Q168-I179 HydrophobicContact CG-CD1 3.32Å; L174-I179 HydrophobicContact CB-CD1 3.93Å; L174-I179 HydrophobicContact CB-CG1 3.97Å; L174-I179 HydrophobicContact CD1-CD1 4.49Å; L174-I179 HydrophobicContact CD1-CG1 4.16Å; T175-I179 PolarHBondContact O-N 3.23Å; T175-I179 VanDerWaalsContact O-N 3.17Å; Q176-I179 PolarHBondContact O-N 3.01Å; A177-I179 VanDerWaalsContact C-N 3.28Å; A177-I179 PolarHBondContact O-N 3.17Å; I179-E181 VanDerWaalsContact C-N 3.26Å; I179-E181 PolarHBondContact O-N 3.39Å; I179-K182 PolarHBondContact O-N 3.18Å; I179-L183 HydrophobicContact CG2-CD1 4.38Å; I179-L183 HydrophobicContact CG2-CD2 4.41Å; I179-L183 HydrophobicContact CG2-CG 4.29Å; I179-L183 PolarHBondContact O-N 2.9Å
180M88.8Confident81.4Confident82 Ų8294.7 Ų94.740%0.40453%0.533SS..Hα-helixtrans-58-37.9-177.8-76.6-172.7-61.900112.6I164 Q176 A177 K182 L183I164-M180 HydrophobicContact CD1-CG 3.56Å; I164-M180 HydrophobicContact CD1-SD 4.1Å; I164-M180 HydrophobicContact CG1-CG 4.37Å; Q176-M180 HydrophobicContact CB-CE 4.34Å; Q176-M180 WeakPolarHBondContact O-CB 3.39Å; Q176-M180 VanDerWaalsContact O-CG 3.3Å; Q176-M180 WeakPolarHBondContact O-CG 3.33Å; Q176-M180 PolarHBondContact O-N 2.72Å; A177-M180 PolarHBondContact O-N 3.05Å; M180-K182 PolarHBondContact O-N 2.98Å; M180-K182 VanDerWaalsContact O-N 3.16Å; M180-L183 PolarHBondContact O-N 2.86Å; M180-L183 VanDerWaalsContact O-N 3.15Å
181E90Very high79.4Confident168 Ų16896 Ų9679%0.78553%0.527SS*.THydrogen-bonded Turntrans-56.9-27.6175.3-173.2-178177.700113A177 I179A177-E181 PolarHBondContact O-N 3.14Å; I179-E181 VanDerWaalsContact C-N 3.26Å; I179-E181 PolarHBondContact O-N 3.39Å
182K87.2Confident78.3Confident155 Ų15596.5 Ų96.567%0.67453%0.528SS*.THydrogen-bonded Turntrans-96.6-11.6-178.2-62.5176.4-178.6178.20113.5I179 M180 V184I179-K182 PolarHBondContact O-N 3.18Å; M180-K182 PolarHBondContact O-N 2.98Å; M180-K182 VanDerWaalsContact O-N 3.16Å; K182-V184 PolarHBondContact O-N 2.87Å
183L85.5Confident78.1Confident63 Ų6391.7 Ų91.733%0.3350%0.497SS..  trans-76.4124.3180-65.2-178.4000109.9R160 V163 I164 I179 M180R160-L183 HydrophobicContact CG-CD1 3.77Å; V163-L183 HydrophobicContact CG1-CD2 3.95Å; I164-L183 HydrophobicContact CD1-CD1 4.34Å; I164-L183 HydrophobicContact CG1-CD1 4.01Å; I179-L183 HydrophobicContact CG2-CD1 4.38Å; I179-L183 HydrophobicContact CG2-CD2 4.41Å; I179-L183 HydrophobicContact CG2-CG 4.29Å; I179-L183 PolarHBondContact O-N 2.9Å; M180-L183 PolarHBondContact O-N 2.86Å; M180-L183 VanDerWaalsContact O-N 3.15Å
184V78.1Confident78.1Confident98 Ų9886.2 Ų86.259%0.59447%0.473SS*.  trans-107119.7174.1178.10000108.1K182 Y186K182-V184 PolarHBondContact O-N 2.87Å; V184-Y186 HydrophobicContact CB-CE2 4.08Å; V184-Y186 HydrophobicContact CG1-CD1 4.45Å; V184-Y186 HydrophobicContact CG1-CD2 4.1Å; V184-Y186 HydrophobicContact CG1-CE1 4.16Å; V184-Y186 HydrophobicContact CG1-CE2 3.78Å; V184-Y186 HydrophobicContact CG1-CG 4.42Å; V184-Y186 PolarHBondContact O-N 3.35Å
185A70.9Confident78.3Confident84 Ų8483.8 Ų83.869%0.69446%0.46SS*.  trans-82.1108.2166.500000108
186Y65.9Low78.5Confident172 Ų17280.1 Ų80.168%0.67544%0.439SS*.  trans-77134165.5-65.9-85.5000108V184 M191V184-Y186 HydrophobicContact CB-CE2 4.08Å; V184-Y186 HydrophobicContact CG1-CD1 4.45Å; V184-Y186 HydrophobicContact CG1-CD2 4.1Å; V184-Y186 HydrophobicContact CG1-CE1 4.16Å; V184-Y186 HydrophobicContact CG1-CE2 3.78Å; V184-Y186 HydrophobicContact CG1-CG 4.42Å; V184-Y186 PolarHBondContact O-N 3.35Å; Y186-M191 WeakPolarHBondContact CB-SD 3.06Å
187S56.4Low78.8Confident118 Ų11876.7 Ų76.783%0.82542%0.424SS*.  trans-124.911616861.60000107.3
188S58.1Low79Confident62 Ų6278.1 Ų78.143%0.43443%0.427SS..  trans-112155.7163.1149.30000108.2Q190 M191S188-Q190 PolarHBondContact O-N 3.37Å; S188-Q190 PolarHBondContact OG-N 3.38Å; S188-M191 PolarHBondContact O-N 2.83Å
189D55.2Low79.1Confident154 Ų15479.7 Ų79.782%0.82443%0.433SS*.THydrogen-bonded Turntrans-49.5-9.6160.458.1-27.1000114.5
190Q49.5Very low79.3Confident142 Ų14280.3 Ų80.366%0.66444%0.438SS*.THydrogen-bonded Turntrans-126.63.3-178.3-54.6-167.8-2100114.6S188S188-Q190 PolarHBondContact O-N 3.37Å; S188-Q190 PolarHBondContact OG-N 3.38Å
191M52.4Low79.7Confident107 Ų10776.7 Ų76.753%0.52742%0.421SS..SBendtrans-84-15.9-167.5-173163.1172.400115.1Y186 S188Y186-M191 WeakPolarHBondContact CB-SD 3.06Å; S188-M191 PolarHBondContact O-N 2.83Å
192V70.5Confident79.9Confident49 Ų4970.9 Ų70.930%0.29740%0.399SS..SBendtrans-97.8119.8166.7177.20000106.8T152 T194 D223T152-V192 HydrophobicContact CG2-CG2 4.27Å; V192-T194 PolarHBondContact O-N 3.4Å; V192-T194 PolarHBondContact O-OG1 3.48Å; V192-D223 HydrophobicContact CG1-CB 3.82Å
193A88.9Confident80.4Confident5 Ų565.5 Ų65.54%0.04138%0.376CS..EExtended strand (participates in β ladder)trans-60.7112177.800000108.7D204 L206 L220 V222 D223A193-D204 WeakPolarHBondContact CA-OD2 3.32Å; A193-L206 HydrophobicContact CB-CD2 3.52Å; A193-L220 HydrophobicContact CB-CD1 3.72Å; A193-V222 HydrophobicContact CB-CG2 4.4Å; A193-V222 CarbonylContact O-C 3.54Å; A193-V222 VanDerWaalsContact O-CA 3.31Å; A193-V222 WeakPolarHBondContact O-CA 3.25Å; A193-D223 PolarHBondContact O-N 2.93Å
194T94.9Very high80.8Confident26 Ų2664.8 Ų64.816%0.1637%0.372CS..EExtended strand (participates in β ladder)trans-111.5126-168.6-57.80000109.8V192 T197 D204 D223V192-T194 PolarHBondContact O-N 3.4Å; V192-T194 PolarHBondContact O-OG1 3.48Å; T194-T197 HydrophobicContact CG2-CG2 3.7Å; T194-D204 PolarHBondContact N-OD2 3.03Å; T194-D204 PolarHBondContact O-N 2.75Å; T194-D223 CarbonylContact C-O 3.55Å; T194-D223 WeakPolarHBondContact CA-O 3.39Å
195L97.3Very high81.6Confident0 Ų063.4 Ų63.40%036%0.361CS..BIsolated β-bridgetrans-104.6102.5172.6-57.2-176.7000108.6F203 L206 V222 D223 A224 A227 F231 L240L195-F203 HydrophobicContact CB-CD1 3.83Å; L195-F203 HydrophobicContact CB-CE1 4.21Å; L195-F203 HydrophobicContact CD2-CB 4.32Å; L195-F203 HydrophobicContact CD2-CD1 4.1Å; L195-L206 HydrophobicContact CD1-CD1 4.05Å; L195-L206 HydrophobicContact CD2-CD1 4.33Å; L195-L206 HydrophobicContact CD2-CG 4.2Å; L195-V222 HydrophobicContact CD1-CG1 3.77Å; L195-V222 HydrophobicContact CG-CG1 3.85Å; L195-D223 PolarHBondContact N-O 3.4Å; L195-A224 HydrophobicContact CB-CB 3.94Å; L195-A224 HydrophobicContact CD1-CB 4.48Å; L195-A224 WeakPolarHBondContact O-CA 3.46Å; L195-A227 VanDerWaalsContact O-CB 3.31Å; L195-A227 WeakPolarHBondContact O-CB 3.16Å; L195-F231 HydrophobicContact CB-CE2 4.38Å; L195-F231 HydrophobicContact CB-CZ 4.1Å; L195-F231 HydrophobicContact CD1-CE2 3.81Å; L195-F231 HydrophobicContact CD1-CZ 3.98Å; L195-L240 HydrophobicContact CD1-CD1 3.6Å
196G96.5Very high82.8Confident6 Ų659.5 Ų59.56%0.06233%0.329CS..SBendtrans8667-174.400000112.6S202G196-S202 CarbonylContact C-O 3.58Å; G196-S202 WeakPolarHBondContact CA-O 3.34Å; G196-S202 PolarHBondContact N-O 2.68Å
197T95.6Very high84.3Confident22 Ų2255.4 Ų55.414%0.13532%0.318CS..  trans-55.1149.8177.860.20000113T194 T199 C201 S202T194-T197 HydrophobicContact CG2-CG2 3.7Å; T197-T199 VanDerWaalsContact C-N 3.31Å; T197-T199 PolarHBondContact O-N 3.49Å; T197-C201 WeakPolarHBondContact O-CA 3.45Å; T197-C201 PolarHBondContact O-N 2.99Å; T197-C201 PolarHBondContact OG1-N 3.45Å; T197-S202 WeakPolarHBondContact CG2-OG 3.39Å; T197-S202 PolarHBondContact N-O 2.86Å; T197-S202 PolarHBondContact OG1-N 3.34Å; T197-S202 PolarHBondContact OG1-OG 2.72Å
198T94.4Very high86.1Confident93 Ų9356.1 Ų56.157%0.57131%0.308SS*.THydrogen-bonded Turntrans-60.9-39.2-177.8-58.20000112.9R399T198-R399 VanDerWaalsContact O-CZ 3.23Å; T198-R399 PolarHBondContact O-NE 2.87Å; T198-R399 VanDerWaalsContact O-NE 3.15Å; T198-R399 PolarHBondContact O-NH2 3.28Å
199T93.6Very high87.7Confident62 Ų6255.9 Ų55.938%0.3830%0.304SS..THydrogen-bonded Turntrans-68.1-53.1-173.447.60000112.1T197 C390 R399T197-T199 VanDerWaalsContact C-N 3.31Å; T197-T199 PolarHBondContact O-N 3.49Å; T199-C390 HydrophobicContact CG2-CB 4.33Å; T199-C390 PolarHBondContact O-SG 3.31Å; T199-R399 VanDerWaalsContact O-CD 3.29Å; T199-R399 WeakPolarHBondContact O-CD 3.45Å; T199-R399 PolarHBondContact O-NE 2.91Å
200C95.2Very high89.5Confident18 Ų1848.6 Ų48.612%0.12227%0.265CS..THydrogen-bonded Turntrans-137.510.7-172.355.40000115.4S202 V354 L392C200-S202 VanDerWaalsContact C-N 3.27Å; C200-S202 PolarHBondContact O-N 3.14Å; C200-V354 HydrophobicContact CB-CB 4.46Å; C200-V354 HydrophobicContact CB-CG1 4.06Å; C200-V354 HydrophobicContact CB-CG2 3.8Å; C200-L392 HydrophobicContact CB-CD1 4.37Å; C200-L392 HydrophobicContact CB-CD2 3.86Å
201C97.1Very high91.8Very high6 Ų644.4 Ų44.44%0.04125%0.25CS..  trans56.840.1-177-165.30000112.7F80 T197 F203 L360F80-C201 HydrophobicContact CZ-CB 4.45Å; T197-C201 WeakPolarHBondContact O-CA 3.45Å; T197-C201 PolarHBondContact O-N 2.99Å; T197-C201 PolarHBondContact OG1-N 3.45Å; C201-F203 WeakPolarHBondContact O-CD2 3.47Å; C201-F203 WeakPolarHBondContact O-CE2 3.42Å; C201-L360 HydrophobicContact CB-CB 4.16Å; C201-L360 HydrophobicContact CB-CD2 3.79Å; C201-L360 HydrophobicContact CB-CG 4.5Å
202S95.4Very high93.8Very high47 Ų4744.2 Ų44.233%0.32925%0.25SS..  trans-76.7162.6170.964.80000111.6G196 T197 C200G196-S202 CarbonylContact C-O 3.58Å; G196-S202 WeakPolarHBondContact CA-O 3.34Å; G196-S202 PolarHBondContact N-O 2.68Å; T197-S202 WeakPolarHBondContact CG2-OG 3.39Å; T197-S202 PolarHBondContact N-O 2.86Å; T197-S202 PolarHBondContact OG1-N 3.34Å; T197-S202 PolarHBondContact OG1-OG 2.72Å; C200-S202 VanDerWaalsContact C-N 3.27Å; C200-S202 PolarHBondContact O-N 3.14Å
203F96.2Very high94.8Very high42 Ų4242.5 Ų42.518%0.18424%0.24CC..BIsolated β-bridgetrans-126.6124.9-177.5-63.1-97.3000109.8L195 C201 A227 F231 L239 I357 L358L195-F203 HydrophobicContact CB-CD1 3.83Å; L195-F203 HydrophobicContact CB-CE1 4.21Å; L195-F203 HydrophobicContact CD2-CB 4.32Å; L195-F203 HydrophobicContact CD2-CD1 4.1Å; C201-F203 WeakPolarHBondContact O-CD2 3.47Å; C201-F203 WeakPolarHBondContact O-CE2 3.42Å; F203-A227 HydrophobicContact CE1-CB 3.66Å; F203-A227 HydrophobicContact CZ-CB 3.93Å; F203-F231 HydrophobicContact CE1-CE1 4.41Å; F203-F231 HydrophobicContact CE1-CZ 4.23Å; F203-L239 HydrophobicContact CD1-CB 3.98Å; F203-L239 HydrophobicContact CD1-CD1 4.41Å; F203-L239 HydrophobicContact CD1-CD2 4.23Å; F203-L239 HydrophobicContact CD1-CG 4.43Å; F203-L239 HydrophobicContact CD2-CD2 4.2Å; F203-L239 HydrophobicContact CE1-CB 4.01Å; F203-L239 HydrophobicContact CE1-CD1 3.83Å; F203-L239 HydrophobicContact CE1-CD2 4.44Å; F203-L239 HydrophobicContact CE1-CG 4.31Å; F203-L239 HydrophobicContact CE2-CD1 4.23Å; F203-L239 HydrophobicContact CE2-CD2 4.41Å; F203-L239 HydrophobicContact CG-CD2 4.13Å; F203-L239 HydrophobicContact CZ-CD1 3.74Å; F203-I357 HydrophobicContact CD2-CD1 3.64Å; F203-I357 HydrophobicContact CE2-CB 4.03Å; F203-I357 HydrophobicContact CE2-CD1 3.61Å; F203-I357 HydrophobicContact CE2-CG1 4.42Å; F203-I357 HydrophobicContact CE2-CG2 3.8Å; F203-I357 HydrophobicContact CZ-CG2 4.27Å; F203-L358 HydrophobicContact CE1-CD1 4.47Å; F203-L358 HydrophobicContact CZ-CD1 3.72Å; F203-L358 HydrophobicContact CZ-CG 4.3Å
204D94.9Very high95.1Very high47 Ų4746.1 Ų46.125%0.25126%0.259SS..  trans-73.5144.2171.8-65.4-30.8000110.7A193 T194 L206A193-D204 WeakPolarHBondContact CA-OD2 3.32Å; T194-D204 PolarHBondContact N-OD2 3.03Å; T194-D204 PolarHBondContact O-N 2.75Å; D204-L206 PolarHBondContact O-N 2.78Å; D204-L206 VanDerWaalsContact O-N 3.13Å
205N95.1Very high95.1Very high70 Ų7053 Ų5337%0.37429%0.287SS..  trans-81.895-178.3-169.8-9.9000111.2L207 E208 V209N205-L207 PolarHBondContact O-N 2.79Å; N205-L207 WeakPolarHBondContact OD1-CB 3.34Å; N205-L207 PolarHBondContact OD1-N 2.98Å; N205-L207 VanDerWaalsContact OD1-N 3.08Å; N205-E208 HydrophobicContact CB-CB 4.24Å; N205-E208 HydrophobicContact CB-CG 4.3Å; N205-E208 VanDerWaalsContact ND2-CD 3.26Å; N205-E208 WeakPolarHBondContact ND2-CG 3.42Å; N205-E208 PolarHBondContact ND2-OE1 3.16Å; N205-E208 PolarHBondContact O-N 2.77Å; N205-E208 VanDerWaalsContact O-N 3.07Å; N205-V209 PolarHBondContact O-N 3.25Å
206L95.8Very high94.8Very high2 Ų258.2 Ų58.21%0.0131%0.311CS..Hα-helixtrans-63.8-25.2179.2-56.5-176.3000113.4A193 L195 D204 E208 G210 V222 N241 V243A193-L206 HydrophobicContact CB-CD2 3.52Å; L195-L206 HydrophobicContact CD1-CD1 4.05Å; L195-L206 HydrophobicContact CD2-CD1 4.33Å; L195-L206 HydrophobicContact CD2-CG 4.2Å; D204-L206 PolarHBondContact O-N 2.78Å; D204-L206 VanDerWaalsContact O-N 3.13Å; L206-E208 PolarHBondContact O-N 3.35Å; L206-G210 VanDerWaalsContact O-CA 3.31Å; L206-G210 WeakPolarHBondContact O-CA 3.41Å; L206-G210 PolarHBondContact O-N 3.24Å; L206-V222 HydrophobicContact CD1-CG1 4.11Å; L206-V222 HydrophobicContact CD1-CG2 3.95Å; L206-V222 HydrophobicContact CD2-CG1 4.44Å; L206-V222 HydrophobicContact CD2-CG2 3.76Å; L206-N241 WeakPolarHBondContact CB-O 3.44Å; L206-V243 HydrophobicContact CD1-CB 4.46Å
207L97Very high94.5Very high86 Ų8662 Ų6245%0.4533%0.33SS..Hα-helixtrans-71.1-22176.1-63.5175.1000112.4N205 P211 N241 F245N205-L207 PolarHBondContact O-N 2.79Å; N205-L207 WeakPolarHBondContact OD1-CB 3.34Å; N205-L207 PolarHBondContact OD1-N 2.98Å; N205-L207 VanDerWaalsContact OD1-N 3.08Å; L207-P211 VanDerWaalsContact O-CD 3.23Å; L207-P211 WeakPolarHBondContact O-CD 3.46Å; L207-P211 WeakPolarHBondContact O-CG 3.44Å; L207-N241 HydrophobicContact CD1-CB 4.22Å; L207-N241 HydrophobicContact CG-CB 4.39Å; L207-F245 HydrophobicContact CD2-CE2 4.17Å
208E94.5Very high94.2Very high133 Ų13365.1 Ų65.162%0.62135%0.345SS*.Hα-helixtrans-90.7-46.6173.6-72.9174.7-150.100111.5N205 L206 I212N205-E208 HydrophobicContact CB-CB 4.24Å; N205-E208 HydrophobicContact CB-CG 4.3Å; N205-E208 VanDerWaalsContact ND2-CD 3.26Å; N205-E208 WeakPolarHBondContact ND2-CG 3.42Å; N205-E208 PolarHBondContact ND2-OE1 3.16Å; N205-E208 PolarHBondContact O-N 2.77Å; N205-E208 VanDerWaalsContact O-N 3.07Å; L206-E208 PolarHBondContact O-N 3.35Å; E208-I212 WeakPolarHBondContact O-CD1 3.34Å
209V91.9Very high94.1Very high57 Ų5762.6 Ų62.635%0.34533%0.325SS..Hα-helixtrans-74.1-40.6-176.2177.90000111.9N205 I212 C213 L220N205-V209 PolarHBondContact O-N 3.25Å; V209-I212 WeakPolarHBondContact O-CB 3.31Å; V209-I212 PolarHBondContact O-N 3.01Å; V209-I212 VanDerWaalsContact O-N 3.15Å; V209-C213 PolarHBondContact O-N 3.35Å; V209-L220 HydrophobicContact CG1-CD1 4.25Å
210G93.8Very high94.2Very high0 Ų060 Ų600%031%0.309CS..Hα-helixtrans-56-52-175.100000114.7L206 I212 C213 N214 F245L206-G210 VanDerWaalsContact O-CA 3.31Å; L206-G210 WeakPolarHBondContact O-CA 3.41Å; L206-G210 PolarHBondContact O-N 3.24Å; G210-I212 VanDerWaalsContact C-N 3.26Å; G210-I212 PolarHBondContact O-N 2.98Å; G210-C213 PolarHBondContact O-N 3.25Å; G210-N214 PolarHBondContact O-N 3.06Å; G210-F245 VanDerWaalsContact CA-CB 3.44Å
211P96.6Very high94.3Very high55 Ų5559.8 Ų59.836%0.35731%0.306SS..Hα-helixtrans-59-34.7176.6-27.436.3000113.8L207 K215 F245L207-P211 VanDerWaalsContact O-CD 3.23Å; L207-P211 WeakPolarHBondContact O-CD 3.46Å; L207-P211 WeakPolarHBondContact O-CG 3.44Å; P211-K215 VanDerWaalsContact O-CB 3.27Å; P211-K215 WeakPolarHBondContact O-CB 3.42Å; P211-K215 PolarHBondContact O-N 2.92Å; P211-F245 HydrophobicContact CG-CE1 4.13Å; P211-F245 HydrophobicContact CG-CE2 4.13Å; P211-F245 HydrophobicContact CG-CZ 3.86Å
212I93.9Very high94.3Very high102 Ų10259.5 Ų59.552%0.52330%0.304SS..Hα-helixtrans-67.9-50.2177.3-60.3169.3000109.7E208 V209 G210 N214 K215 E216E208-I212 WeakPolarHBondContact O-CD1 3.34Å; V209-I212 WeakPolarHBondContact O-CB 3.31Å; V209-I212 PolarHBondContact O-N 3.01Å; V209-I212 VanDerWaalsContact O-N 3.15Å; G210-I212 VanDerWaalsContact C-N 3.26Å; G210-I212 PolarHBondContact O-N 2.98Å; I212-N214 VanDerWaalsContact C-N 3.32Å; I212-N214 PolarHBondContact O-N 3.42Å; I212-K215 PolarHBondContact O-N 3.41Å; I212-E216 HydrophobicContact CG2-CG 4.32Å; I212-E216 WeakPolarHBondContact O-CG 3.48Å; I212-E216 PolarHBondContact O-N 3.36Å
213C92.9Very high94.4Very high13 Ų1358.9 Ų58.99%0.08830%0.297CS..Hα-helixtrans-56.3-46.2177.9-71.30000111.8V209 G210 K215 E216 D217 I218 L220V209-C213 PolarHBondContact O-N 3.35Å; G210-C213 PolarHBondContact O-N 3.25Å; C213-K215 PolarHBondContact O-N 3.13Å; C213-E216 PolarHBondContact O-N 3.37Å; C213-D217 PolarHBondContact O-N 2.92Å; C213-I218 HydrophobicContact CB-CB 4.41Å; C213-I218 WeakPolarHBondContact CB-O 3.39Å; C213-I218 PolarHBondContact O-N 3.17Å; C213-L220 HydrophobicContact CB-CB 3.96Å; C213-L220 HydrophobicContact CB-CD2 4.46Å
214N93.6Very high94.5Very high82 Ų8256.9 Ų56.944%0.43929%0.288SS..Hα-helixtrans-64.3-41.1177.7-81.811000112.9G210 I212 D217 F245G210-N214 PolarHBondContact O-N 3.06Å; I212-N214 VanDerWaalsContact C-N 3.32Å; I212-N214 PolarHBondContact O-N 3.42Å; N214-D217 PolarHBondContact O-N 2.95Å; N214-F245 PolarHBondContact OD1-O 3.13Å
215K95.6Very high94.7Very high169 Ų16955 Ų5574%0.73528%0.279SS*.Hα-helixtrans-65.8-41.8179.9179.5-173.9168.7-163.60111.9P211 I212 C213 D217P211-K215 VanDerWaalsContact O-CB 3.27Å; P211-K215 WeakPolarHBondContact O-CB 3.42Å; P211-K215 PolarHBondContact O-N 2.92Å; I212-K215 PolarHBondContact O-N 3.41Å; C213-K215 PolarHBondContact O-N 3.13Å; K215-D217 VanDerWaalsContact C-N 3.31Å
216E91.1Very high94.9Very high110 Ų11051.7 Ų51.751%0.51426%0.261SS..THydrogen-bonded Turntrans-90.25-176.7-55.9-57.8151.900112.9I212 C213 I218I212-E216 HydrophobicContact CG2-CG 4.32Å; I212-E216 WeakPolarHBondContact O-CG 3.48Å; I212-E216 PolarHBondContact O-N 3.36Å; C213-E216 PolarHBondContact O-N 3.37Å; E216-I218 VanDerWaalsContact C-N 3.28Å; E216-I218 HydrophobicContact CB-CD1 3.83Å; E216-I218 HydrophobicContact CB-CG1 3.95Å; E216-I218 PolarHBondContact O-N 2.88Å
217D89.5Confident95Very high87 Ų8751.6 Ų51.647%0.46526%0.261SS..THydrogen-bonded Turntrans50.446.8-176-160.619.3000112.6R166 C213 N214 K215R166-D217 IonicContact CZ-OD2 3.04Å; R166-D217 VanDerWaalsContact NH1-CG 3.26Å; R166-D217 IonicContact NH1-OD2 3.45Å; R166-D217 PolarHBondContact NH1-OD2 2.98Å; C213-D217 PolarHBondContact O-N 2.92Å; N214-D217 PolarHBondContact O-N 2.95Å; K215-D217 VanDerWaalsContact C-N 3.31Å
218I90.1Very high95.1Very high87 Ų8747.5 Ų47.545%0.44624%0.239SC..  trans-99.9130.7175.4-61.5172.9000108.4C213 E216 L220C213-I218 HydrophobicContact CB-CB 4.41Å; C213-I218 WeakPolarHBondContact CB-O 3.39Å; C213-I218 PolarHBondContact O-N 3.17Å; E216-I218 VanDerWaalsContact C-N 3.28Å; E216-I218 HydrophobicContact CB-CD1 3.83Å; E216-I218 HydrophobicContact CB-CG1 3.95Å; E216-I218 PolarHBondContact O-N 2.88Å; I218-L220 PolarHBondContact O-N 2.87Å
219W93.4Very high95.3Very high40 Ų4041.1 Ų41.115%0.15221%0.21CC..  trans-63121.6175.8-175.6-74.2000111.6A158 A159 K162 D247 S248 D273A158-W219 HydrophobicContact CB-CH2 3.91Å; A158-W219 HydrophobicContact CB-CZ2 4.33Å; A158-W219 HydrophobicContact CB-CZ3 4.33Å; A159-W219 HydrophobicContact CB-CB 3.48Å; A159-W219 VanDerWaalsContact CB-CB 3.48Å; A159-W219 HydrophobicContact CB-CD2 3.66Å; A159-W219 HydrophobicContact CB-CE3 3.84Å; A159-W219 HydrophobicContact CB-CG 3.51Å; K162-W219 HydrophobicContact CD-CE3 3.95Å; K162-W219 HydrophobicContact CD-CZ3 3.86Å; W219-D247 VanDerWaalsContact CA-OD2 3.32Å; W219-D247 WeakPolarHBondContact CA-OD2 3.46Å; W219-D247 HydrophobicContact CD2-CB 3.6Å; W219-D247 VanDerWaalsContact CE2-CB 3.49Å; W219-D247 HydrophobicContact CE3-CB 4Å; W219-D247 HydrophobicContact CG-CB 4.05Å; W219-D247 HydrophobicContact CH2-CB 4.19Å; W219-D247 HydrophobicContact CZ2-CB 3.82Å; W219-D247 HydrophobicContact CZ3-CB 4.28Å; W219-S248 PolarHBondContact NE1-OG 2.76Å; W219-D273 HydrophobicContact CH2-CB 3.67Å; W219-D273 HydrophobicContact CZ3-CB 3.67Å; W219-D273 WeakPolarHBondContact CZ3-OD2 3.45Å
220L95.1Very high95.6Very high7 Ų738.4 Ų38.44%0.03719%0.193CC..  trans-100108.1174.5179.158.4000110.7A193 V209 C213 I218 V222 F245 A246 D247 S248A193-L220 HydrophobicContact CB-CD1 3.72Å; V209-L220 HydrophobicContact CG1-CD1 4.25Å; C213-L220 HydrophobicContact CB-CB 3.96Å; C213-L220 HydrophobicContact CB-CD2 4.46Å; I218-L220 PolarHBondContact O-N 2.87Å; L220-V222 HydrophobicContact CG-CG2 4.28Å; L220-F245 HydrophobicContact CD2-CB 4.16Å; L220-A246 HydrophobicContact CD2-CB 4.4Å; L220-A246 HydrophobicContact CG-CB 4.25Å; L220-A246 CarbonylContact O-C 3.52Å; L220-D247 PolarHBondContact N-OD2 3Å; L220-D247 PolarHBondContact O-N 3.34Å; L220-S248 PolarHBondContact O-N 3.26Å
221H96.8Very high95.8Very high13 Ų1338.4 Ų38.46%0.0619%0.193CC..EExtended strand (participates in β ladder)trans-98.6127.3167.5-179.965.5000109.7T152 A155 S248 N250T152-H221 WeakPolarHBondContact CA-NE2 3.48Å; T152-H221 PolarHBondContact OG1-NE2 2.97Å; A155-H221 HydrophobicContact CB-CB 4.16Å; H221-S248 WeakPolarHBondContact CA-O 3.41Å; H221-S248 PolarHBondContact ND1-OG 3.33Å; H221-N250 PolarHBondContact CE1-OD1 3.28Å; H221-N250 PolarHBondContact NE2-OD1 3.32Å
222V97.4Very high95.9Very high0 Ų035.9 Ų35.90%018%0.177CC..EExtended strand (participates in β ladder)trans-104.1113.2176.2178.20000109.8A193 L195 L206 L220 A246 S248 F249 N250A193-V222 HydrophobicContact CB-CG2 4.4Å; A193-V222 CarbonylContact O-C 3.54Å; A193-V222 VanDerWaalsContact O-CA 3.31Å; A193-V222 WeakPolarHBondContact O-CA 3.25Å; L195-V222 HydrophobicContact CD1-CG1 3.77Å; L195-V222 HydrophobicContact CG-CG1 3.85Å; L206-V222 HydrophobicContact CD1-CG1 4.11Å; L206-V222 HydrophobicContact CD1-CG2 3.95Å; L206-V222 HydrophobicContact CD2-CG1 4.44Å; L206-V222 HydrophobicContact CD2-CG2 3.76Å; L220-V222 HydrophobicContact CG-CG2 4.28Å; V222-A246 HydrophobicContact CB-CB 4.45Å; V222-A246 HydrophobicContact CG2-CB 3.6Å; V222-S248 PolarHBondContact N-O 3.43Å; V222-F249 HydrophobicContact CB-CD2 4Å; V222-F249 HydrophobicContact CG1-CD2 3.8Å; V222-F249 HydrophobicContact CG1-CE2 4.26Å; V222-F249 WeakPolarHBondContact O-CA 3.5Å; V222-N250 PolarHBondContact O-N 2.95Å; V222-N250 PolarHBondContact O-OD1 3.07Å
223D97.8Very high96.2Very high34 Ų3431 Ų3118%0.18215%0.152CC..EExtended strand (participates in β ladder)trans-93.4111.1173.4-176.413.1000110.4V192 A193 T194 L195 A225 N250V192-D223 HydrophobicContact CG1-CB 3.82Å; A193-D223 PolarHBondContact O-N 2.93Å; T194-D223 CarbonylContact C-O 3.55Å; T194-D223 WeakPolarHBondContact CA-O 3.39Å; L195-D223 PolarHBondContact N-O 3.4Å; D223-A225 WeakPolarHBondContact OD1-CA 3.4Å; D223-A225 VanDerWaalsContact OD1-CB 3.25Å; D223-A225 WeakPolarHBondContact OD1-CB 3.31Å; D223-A225 PolarHBondContact OD1-N 3.3Å; D223-N250 WeakPolarHBondContact CA-OD1 3.36Å; D223-N250 PolarHBondContact OD1-ND2 2.91Å; D223-N250 PolarHBondContact OD1-OD1 3.19Å
224A98.2Very high96.4Very high0 Ų033.7 Ų33.70%017%0.169CC..  trans-114.930.8173.700000111.6L195 Y226 A227 G228 F231 F249 N250 F251L195-A224 HydrophobicContact CB-CB 3.94Å; L195-A224 HydrophobicContact CD1-CB 4.48Å; L195-A224 WeakPolarHBondContact O-CA 3.46Å; A224-Y226 CarbonylContact O-C 3.56Å; A224-Y226 PolarHBondContact O-N 2.92Å; A224-A227 PolarHBondContact O-N 3.47Å; A224-G228 WeakPolarHBondContact O-CA 3.39Å; A224-G228 PolarHBondContact O-N 3.34Å; A224-F231 HydrophobicContact CB-CE2 4.08Å; A224-F249 HydrophobicContact CB-CD2 4.49Å; A224-F249 HydrophobicContact CB-CE2 3.54Å; A224-F249 HydrophobicContact CB-CZ 3.98Å; A224-N250 CarbonylContact C-O 3.48Å; A224-N250 WeakPolarHBondContact CA-O 3.26Å; A224-N250 WeakPolarHBondContact CB-O 3.42Å; A224-N250 PolarHBondContact N-O 3.49Å; A224-F251 HydrophobicContact CB-CB 4.19Å; A224-F251 WeakPolarHBondContact O-CB 3.42Å
225A98.4Very high96.7Very high7 Ų733.6 Ų33.66%0.05817%0.166CC..THydrogen-bonded Turntrans-38.1-48.2-170.700000114.6A148 D223 N252 K255A148-A225 HydrophobicContact CB-CB 3.86Å; D223-A225 WeakPolarHBondContact OD1-CA 3.4Å; D223-A225 VanDerWaalsContact OD1-CB 3.25Å; D223-A225 WeakPolarHBondContact OD1-CB 3.31Å; D223-A225 PolarHBondContact OD1-N 3.3Å; A225-N252 WeakPolarHBondContact O-CB 3.36Å; A225-N252 PolarHBondContact O-N 2.98Å; A225-K255 HydrophobicContact CB-CD 4.17Å; A225-K255 WeakPolarHBondContact O-CD 3.43Å
226Y98.6Very high96.8Very high1 Ų126.9 Ų26.90%0.00414%0.137CC..THydrogen-bonded Turntrans-89-60175.9170.5-113.7000112.8F80 P81 A224 G228 W256 L358 G359F80-Y226 HydrophobicContact CB-CD2 4.08Å; F80-Y226 AromaticContact CD1-CD1 3.75Å; F80-Y226 HydrophobicContact CD1-CD1 3.75Å; F80-Y226 AromaticContact CD1-CD2 3.54Å; F80-Y226 HydrophobicContact CD1-CD2 3.54Å; F80-Y226 AromaticContact CD1-CE1 3.88Å; F80-Y226 HydrophobicContact CD1-CE1 3.88Å; F80-Y226 AromaticContact CD1-CE2 3.69Å; F80-Y226 HydrophobicContact CD1-CE2 3.69Å; F80-Y226 AromaticContact CD1-CG 3.56Å; F80-Y226 HydrophobicContact CD1-CG 3.56Å; F80-Y226 AromaticContact CD1-CZ 3.85Å; F80-Y226 HydrophobicContact CD2-CD1 4.43Å; F80-Y226 HydrophobicContact CD2-CD2 4.32Å; F80-Y226 AromaticContact CD2-CG 3.9Å; F80-Y226 HydrophobicContact CD2-CG 3.9Å; F80-Y226 AromaticContact CE1-CD1 3.25Å; F80-Y226 HydrophobicContact CE1-CD1 3.25Å; F80-Y226 AromaticContact CE1-CD2 3.98Å; F80-Y226 HydrophobicContact CE1-CD2 3.98Å; F80-Y226 AromaticContact CE1-CE1 3.38Å; F80-Y226 HydrophobicContact CE1-CE1 3.38Å; F80-Y226 HydrophobicContact CE1-CE2 4.09Å; F80-Y226 AromaticContact CE1-CG 3.56Å; F80-Y226 HydrophobicContact CE1-CG 3.56Å; F80-Y226 AromaticContact CE1-CZ 3.81Å; F80-Y226 AromaticContact CE2-CD1 3.97Å; F80-Y226 HydrophobicContact CE2-CD1 3.97Å; F80-Y226 AromaticContact CE2-CG 3.84Å; F80-Y226 HydrophobicContact CE2-CG 3.84Å; F80-Y226 HydrophobicContact CG-CD1 4.33Å; F80-Y226 AromaticContact CG-CD2 3.75Å; F80-Y226 HydrophobicContact CG-CD2 3.75Å; F80-Y226 HydrophobicContact CG-CE2 4.32Å; F80-Y226 AromaticContact CG-CG 3.75Å; F80-Y226 HydrophobicContact CG-CG 3.75Å; F80-Y226 AromaticContact CZ-CD1 3.37Å; F80-Y226 HydrophobicContact CZ-CD1 3.37Å; F80-Y226 AromaticContact CZ-CE1 3.94Å; F80-Y226 HydrophobicContact CZ-CE1 3.94Å; F80-Y226 AromaticContact CZ-CG 3.7Å; F80-Y226 HydrophobicContact CZ-CG 3.7Å; P81-Y226 HydrophobicContact CG-CE2 4.1Å; A224-Y226 CarbonylContact O-C 3.56Å; A224-Y226 PolarHBondContact O-N 2.92Å; Y226-G228 VanDerWaalsContact C-N 3.28Å; Y226-G228 PolarHBondContact O-N 2.99Å; Y226-W256 HydrophobicContact CD2-CB 4.29Å; Y226-W256 HydrophobicContact CD2-CD2 4.35Å; Y226-W256 HydrophobicContact CD2-CE3 4.11Å; Y226-W256 HydrophobicContact CD2-CG 4.47Å; Y226-W256 HydrophobicContact CE1-CE3 4.32Å; Y226-W256 HydrophobicContact CE1-CZ3 4.16Å; Y226-W256 HydrophobicContact CE2-CB 4.2Å; Y226-W256 AromaticContact CE2-CD2 3.54Å; Y226-W256 HydrophobicContact CE2-CD2 3.54Å; Y226-W256 AromaticContact CE2-CE3 3.47Å; Y226-W256 HydrophobicContact CE2-CE3 3.47Å; Y226-W256 VanDerWaalsContact CE2-CE3 3.47Å; Y226-W256 AromaticContact CE2-CG 3.9Å; Y226-W256 HydrophobicContact CE2-CG 3.9Å; Y226-W256 HydrophobicContact CE2-CZ3 4.02Å; Y226-W256 AromaticContact CZ-CD2 3.97Å; Y226-W256 AromaticContact CZ-CE3 3.6Å; Y226-W256 AromaticContact CZ-CZ3 3.63Å; Y226-W256 WeakPolarHBondContact OH-CH2 3.3Å; Y226-W256 WeakPolarHBondContact OH-CZ2 3.4Å; Y226-W256 WeakPolarHBondContact OH-CZ3 3.39Å; Y226-L358 HydrophobicContact CE1-CB 4.32Å; Y226-L358 HydrophobicContact CE1-CD1 4.47Å; Y226-G359 VanDerWaalsContact OH-CA 3.25Å; Y226-G359 WeakPolarHBondContact OH-CA 3.45Å; Y226-G359 PolarHBondContact OH-N 3.1Å
227A98.5Very high97.2Very high0 Ų023.3 Ų23.30%012%0.118CC..G310 helixtrans-71.4-19.2-168.400000114.1L195 F203 A224 S229 A230 F231 L358L195-A227 VanDerWaalsContact O-CB 3.31Å; L195-A227 WeakPolarHBondContact O-CB 3.16Å; F203-A227 HydrophobicContact CE1-CB 3.66Å; F203-A227 HydrophobicContact CZ-CB 3.93Å; A224-A227 PolarHBondContact O-N 3.47Å; A227-S229 PolarHBondContact O-N 2.94Å; A227-S229 VanDerWaalsContact O-N 3.11Å; A227-A230 WeakPolarHBondContact O-CA 3.45Å; A227-A230 WeakPolarHBondContact O-CB 3.48Å; A227-A230 PolarHBondContact O-N 3.5Å; A227-F231 HydrophobicContact CB-CE1 4.48Å; A227-F231 HydrophobicContact CB-CZ 4.1Å; A227-L358 HydrophobicContact CB-CD1 3.55Å
228G98.6Very high97.6Very high0 Ų024.5 Ų24.50%012%0.121CC..G310 helixtrans-56.4-31.3-179.300000113.7L126 A224 Y226 A230 F231L126-G228 VanDerWaalsContact CD2-O 3.24Å; L126-G228 WeakPolarHBondContact CD2-O 3.33Å; A224-G228 WeakPolarHBondContact O-CA 3.39Å; A224-G228 PolarHBondContact O-N 3.34Å; Y226-G228 VanDerWaalsContact C-N 3.28Å; Y226-G228 PolarHBondContact O-N 2.99Å; G228-A230 PolarHBondContact O-N 2.86Å; G228-F231 PolarHBondContact O-N 2.89Å
229S98.6Very high98Very high0 Ų021.9 Ų21.90%011%0.108CC..G310 helixtrans-60.2-36173.7-56.10000111.7A227 F231 I232 F251 W256 I330A227-S229 PolarHBondContact O-N 2.94Å; A227-S229 VanDerWaalsContact O-N 3.11Å; S229-F231 PolarHBondContact O-N 3.16Å; S229-I232 WeakPolarHBondContact O-CG1 3.46Å; S229-I232 PolarHBondContact O-N 2.85Å; S229-F251 VanDerWaalsContact N-CD2 3.31Å; S229-F251 WeakPolarHBondContact OG-CE2 3.4Å; S229-W256 WeakPolarHBondContact CB-O 3.33Å; S229-I330 WeakPolarHBondContact O-CD1 3.32Å
230A98.8Very high98.2Very high0 Ų020.3 Ų20.30%010%0.102CC..G310 helixtrans-66.1-24.8-177.200000113.3A227 G228 I232 C233 F236 W256 I330 L358A227-A230 WeakPolarHBondContact O-CA 3.45Å; A227-A230 WeakPolarHBondContact O-CB 3.48Å; A227-A230 PolarHBondContact O-N 3.5Å; G228-A230 PolarHBondContact O-N 2.86Å; A230-I232 PolarHBondContact O-N 3.02Å; A230-I232 VanDerWaalsContact O-N 3.15Å; A230-C233 VanDerWaalsContact O-CB 3.27Å; A230-C233 WeakPolarHBondContact O-CB 3.25Å; A230-C233 PolarHBondContact O-N 3.12Å; A230-F236 HydrophobicContact CB-CB 4.15Å; A230-F236 HydrophobicContact CB-CD2 4.04Å; A230-F236 HydrophobicContact CB-CG 4.31Å; A230-W256 HydrophobicContact CB-CZ3 4.06Å; A230-I330 HydrophobicContact CB-CG2 4.18Å; A230-L358 HydrophobicContact CB-CD1 4.04Å; A230-L358 HydrophobicContact CB-CD2 3.84Å
231F98.8Very high98.4Very high0 Ų024.2 Ų24.20%012%0.123CC..G310 helixtrans-75.1-3.3-175.1-48.1-32.7000113.8L126 L195 F203 A224 A227 G228 S229 C233 F236 R237 L239 L240L126-F231 HydrophobicContact CD2-CB 3.8Å; L195-F231 HydrophobicContact CB-CE2 4.38Å; L195-F231 HydrophobicContact CB-CZ 4.1Å; L195-F231 HydrophobicContact CD1-CE2 3.81Å; L195-F231 HydrophobicContact CD1-CZ 3.98Å; F203-F231 HydrophobicContact CE1-CE1 4.41Å; F203-F231 HydrophobicContact CE1-CZ 4.23Å; A224-F231 HydrophobicContact CB-CE2 4.08Å; A227-F231 HydrophobicContact CB-CE1 4.48Å; A227-F231 HydrophobicContact CB-CZ 4.1Å; G228-F231 PolarHBondContact O-N 2.89Å; S229-F231 PolarHBondContact O-N 3.16Å; F231-C233 PolarHBondContact O-N 3.03Å; F231-F236 WeakPolarHBondContact CD1-O 3.42Å; F231-R237 PolarHBondContact O-NE 2.79Å; F231-R237 PolarHBondContact O-NH2 3.33Å; F231-L239 HydrophobicContact CD1-CB 4.48Å; F231-L239 HydrophobicContact CE1-CB 3.65Å; F231-L239 HydrophobicContact CE1-CD1 4.26Å; F231-L239 HydrophobicContact CZ-CB 4.18Å; F231-L240 HydrophobicContact CB-CD2 4.15Å; F231-L240 HydrophobicContact CD1-CB 4.49Å; F231-L240 HydrophobicContact CD2-CB 3.87Å; F231-L240 HydrophobicContact CD2-CD1 3.88Å; F231-L240 HydrophobicContact CD2-CD2 3.77Å; F231-L240 HydrophobicContact CD2-CG 4.04Å; F231-L240 HydrophobicContact CE2-CB 4.07Å; F231-L240 HydrophobicContact CE2-CD1 3.83Å; F231-L240 HydrophobicContact CE2-CG 4.35Å; F231-L240 HydrophobicContact CG-CB 4.09Å; F231-L240 HydrophobicContact CG-CD2 4.2Å; F231-L240 HydrophobicContact CZ-CB 4.49Å
232I98.8Very high98.4Very high1 Ų123.6 Ų23.61%0.00512%0.12CC..G310 helixtrans-70.4-20.3164.778.6178.5000111.5M125 L126 S229 A230 L257 L326 Q327 I330M125-I232 HydrophobicContact CB-CB 4.4Å; M125-I232 HydrophobicContact CB-CG2 4.07Å; M125-I232 HydrophobicContact CE-CB 4.24Å; M125-I232 HydrophobicContact CE-CD1 4.11Å; M125-I232 HydrophobicContact CE-CG2 4Å; L126-I232 HydrophobicContact CD2-CG2 3.81Å; L126-I232 HydrophobicContact CG-CG2 4.48Å; S229-I232 WeakPolarHBondContact O-CG1 3.46Å; S229-I232 PolarHBondContact O-N 2.85Å; A230-I232 PolarHBondContact O-N 3.02Å; A230-I232 VanDerWaalsContact O-N 3.15Å; I232-L257 HydrophobicContact CD1-CD1 3.66Å; I232-L326 HydrophobicContact CD1-CB 3.7Å; I232-Q327 HydrophobicContact CD1-CG 4.22Å; I232-Q327 HydrophobicContact CG1-CG 3.94Å; I232-Q327 PolarHBondContact O-NE2 2.85Å; I232-I330 HydrophobicContact CD1-CD1 3.68Å; I232-I330 HydrophobicContact CG1-CD1 3.85Å
233C98.9Very high98.4Very high0 Ų024 Ų240%012%0.123CC..SBendtrans-90120.7173.2-58.40000108.8A230 F231 E235 F236 R237A230-C233 VanDerWaalsContact O-CB 3.27Å; A230-C233 WeakPolarHBondContact O-CB 3.25Å; A230-C233 PolarHBondContact O-N 3.12Å; F231-C233 PolarHBondContact O-N 3.03Å; C233-E235 HydrophobicContact CB-CG 4.48Å; C233-E235 PolarHBondContact O-N 3.5Å; C233-E235 VanDerWaalsContact O-N 3.15Å; C233-F236 HydrophobicContact CB-CD2 3.67Å; C233-F236 HydrophobicContact CB-CE2 4.19Å; C233-F236 PolarHBondContact O-N 2.97Å; C233-F236 VanDerWaalsContact O-N 3.1Å; C233-R237 PolarHBondContact O-N 3.28Å
234P98.7Very high98.4Very high70 Ų7026.8 Ų26.846%0.45514%0.135SC..G310 helixtrans-54.6-36-176.5-28.335.7000114.5F236 R237P234-F236 VanDerWaalsContact C-N 3.26Å; P234-F236 PolarHBondContact O-N 3.26Å; P234-R237 WeakPolarHBondContact O-CB 3.31Å; P234-R237 PolarHBondContact O-N 2.92Å
235E98.8Very high98.3Very high80 Ų8029 Ų2937%0.37415%0.145SC..G310 helixtrans-65.4-23.6-178.764.4-88.1-153.700114.2C233 H238 R331C233-E235 HydrophobicContact CB-CG 4.48Å; C233-E235 PolarHBondContact O-N 3.5Å; C233-E235 VanDerWaalsContact O-N 3.15Å; E235-H238 PolarHBondContact O-CE1 3.31Å; E235-H238 PolarHBondContact O-ND1 2.99Å; E235-R331 WeakPolarHBondContact OE1-CG 3.39Å; E235-R331 IonicContact OE1-CZ 2.68Å; E235-R331 VanDerWaalsContact OE1-CZ 3.32Å; E235-R331 IonicContact OE1-NE 3.76Å; E235-R331 PolarHBondContact OE1-NE 3.03Å; E235-R331 IonicContact OE1-NH2 3.81Å; E235-R331 PolarHBondContact OE1-NH2 2.92Å; E235-R331 VanDerWaalsContact OE1-NH2 3.11Å; E235-R331 IonicContact OE2-CZ 3.74Å; E235-R331 IonicContact OE2-NE 2.72Å; E235-R331 IonicContact OE2-NH2 2.86Å; E235-R331 PolarHBondContact OE2-NH2 2.87Å
236F98.8Very high98.3Very high27 Ų2728.7 Ų28.712%0.11814%0.142CC..G310 helixtrans-99-7.7177.2-57.4-53.4000113A230 F231 C233 P234 H238 L239 I330 V334 L358A230-F236 HydrophobicContact CB-CB 4.15Å; A230-F236 HydrophobicContact CB-CD2 4.04Å; A230-F236 HydrophobicContact CB-CG 4.31Å; F231-F236 WeakPolarHBondContact CD1-O 3.42Å; C233-F236 HydrophobicContact CB-CD2 3.67Å; C233-F236 HydrophobicContact CB-CE2 4.19Å; C233-F236 PolarHBondContact O-N 2.97Å; C233-F236 VanDerWaalsContact O-N 3.1Å; P234-F236 VanDerWaalsContact C-N 3.26Å; P234-F236 PolarHBondContact O-N 3.26Å; F236-H238 PolarHBondContact O-N 3.21Å; F236-L239 HydrophobicContact CB-CD1 4.43Å; F236-L239 WeakPolarHBondContact O-CB 3.32Å; F236-L239 WeakPolarHBondContact O-CG 3.47Å; F236-L239 PolarHBondContact O-N 3.48Å; F236-L239 VanDerWaalsContact O-N 3.16Å; F236-I330 HydrophobicContact CE2-CG2 4.29Å; F236-V334 HydrophobicContact CE1-CG1 4.28Å; F236-V334 HydrophobicContact CE2-CG2 4.11Å; F236-V334 HydrophobicContact CZ-CB 4.14Å; F236-V334 HydrophobicContact CZ-CG1 3.86Å; F236-V334 HydrophobicContact CZ-CG2 3.87Å; F236-L358 HydrophobicContact CD1-CD2 3.87Å; F236-L358 HydrophobicContact CD2-CD2 4.29Å; F236-L358 HydrophobicContact CE1-CD2 4.09Å; F236-L358 HydrophobicContact CG-CD2 4Å; F236-L358 HydrophobicContact CZ-CD2 4.44Å
237R98.3Very high98.2Very high35 Ų3529.8 Ų29.813%0.13215%0.148CC..G310 helixtrans-67.3-22.8-172.1-166.1173-61.1129.8-8.4113.9M125 L126 E127 F231 C233 P234 L239 L240M125-R237 PolarHBondContact O-NH2 3.42Å; L126-R237 WeakPolarHBondContact O-CD 3.3Å; L126-R237 PolarHBondContact O-NE 2.91Å; E127-R237 IonicContact OE1-CZ 2.75Å; E127-R237 VanDerWaalsContact OE1-CZ 3.22Å; E127-R237 IonicContact OE1-NH1 2.78Å; E127-R237 PolarHBondContact OE1-NH1 3.18Å; E127-R237 IonicContact OE1-NH2 3.41Å; E127-R237 PolarHBondContact OE1-NH2 3.23Å; E127-R237 IonicContact OE2-CZ 3.78Å; E127-R237 IonicContact OE2-NE 3.55Å; E127-R237 IonicContact OE2-NH1 3.3Å; E127-R237 PolarHBondContact OE2-NH1 2.89Å; F231-R237 PolarHBondContact O-NE 2.79Å; F231-R237 PolarHBondContact O-NH2 3.33Å; C233-R237 PolarHBondContact O-N 3.28Å; P234-R237 WeakPolarHBondContact O-CB 3.31Å; P234-R237 PolarHBondContact O-N 2.92Å; R237-L239 PolarHBondContact O-N 2.85Å; R237-L239 VanDerWaalsContact O-N 3.12Å; R237-L240 WeakPolarHBondContact O-CB 3.49Å; R237-L240 PolarHBondContact O-N 3.31Å
238H98.4Very high98.2Very high112 Ų11229.8 Ų29.852%0.51915%0.148SC..G310 helixtrans-58.4-24.717567.6-86.3000113E235 F236 L240 N241E235-H238 PolarHBondContact O-CE1 3.31Å; E235-H238 PolarHBondContact O-ND1 2.99Å; F236-H238 PolarHBondContact O-N 3.21Å; H238-L240 PolarHBondContact O-N 3.5Å; H238-N241 WeakPolarHBondContact O-CB 3.31Å; H238-N241 PolarHBondContact O-N 2.75Å; H238-N241 PolarHBondContact O-ND2 2.71Å
239L98.3Very high98.2Very high32 Ų3229.8 Ų29.817%0.16815%0.148CC..G310 helixtrans-69.9-12.3174.6-60.2168.3000113.2F203 F231 F236 R237 I357F203-L239 HydrophobicContact CD1-CB 3.98Å; F203-L239 HydrophobicContact CD1-CD1 4.41Å; F203-L239 HydrophobicContact CD1-CD2 4.23Å; F203-L239 HydrophobicContact CD1-CG 4.43Å; F203-L239 HydrophobicContact CD2-CD2 4.2Å; F203-L239 HydrophobicContact CE1-CB 4.01Å; F203-L239 HydrophobicContact CE1-CD1 3.83Å; F203-L239 HydrophobicContact CE1-CD2 4.44Å; F203-L239 HydrophobicContact CE1-CG 4.31Å; F203-L239 HydrophobicContact CE2-CD1 4.23Å; F203-L239 HydrophobicContact CE2-CD2 4.41Å; F203-L239 HydrophobicContact CG-CD2 4.13Å; F203-L239 HydrophobicContact CZ-CD1 3.74Å; F231-L239 HydrophobicContact CD1-CB 4.48Å; F231-L239 HydrophobicContact CE1-CB 3.65Å; F231-L239 HydrophobicContact CE1-CD1 4.26Å; F231-L239 HydrophobicContact CZ-CB 4.18Å; F236-L239 HydrophobicContact CB-CD1 4.43Å; F236-L239 WeakPolarHBondContact O-CB 3.32Å; F236-L239 WeakPolarHBondContact O-CG 3.47Å; F236-L239 PolarHBondContact O-N 3.48Å; F236-L239 VanDerWaalsContact O-N 3.16Å; R237-L239 PolarHBondContact O-N 2.85Å; R237-L239 VanDerWaalsContact O-N 3.12Å; L239-I357 HydrophobicContact CD1-CG2 3.78Å; L239-I357 HydrophobicContact CD2-CG2 4.39Å
240L98.3Very high98.2Very high7 Ų729.8 Ų29.84%0.03715%0.148CC..G310 helixtrans-99.3-2.7176.4-171.460.7000112.6L128 L195 F231 R237 H238 G242 V243 F249L128-L240 HydrophobicContact CD2-CD2 4.02Å; L195-L240 HydrophobicContact CD1-CD1 3.6Å; F231-L240 HydrophobicContact CB-CD2 4.15Å; F231-L240 HydrophobicContact CD1-CB 4.49Å; F231-L240 HydrophobicContact CD2-CB 3.87Å; F231-L240 HydrophobicContact CD2-CD1 3.88Å; F231-L240 HydrophobicContact CD2-CD2 3.77Å; F231-L240 HydrophobicContact CD2-CG 4.04Å; F231-L240 HydrophobicContact CE2-CB 4.07Å; F231-L240 HydrophobicContact CE2-CD1 3.83Å; F231-L240 HydrophobicContact CE2-CG 4.35Å; F231-L240 HydrophobicContact CG-CB 4.09Å; F231-L240 HydrophobicContact CG-CD2 4.2Å; F231-L240 HydrophobicContact CZ-CB 4.49Å; R237-L240 WeakPolarHBondContact O-CB 3.49Å; R237-L240 PolarHBondContact O-N 3.31Å; H238-L240 PolarHBondContact O-N 3.5Å; L240-G242 PolarHBondContact O-N 2.83Å; L240-V243 HydrophobicContact CD1-CB 3.76Å; L240-V243 HydrophobicContact CD1-CG1 4.28Å; L240-V243 HydrophobicContact CD1-CG2 3.87Å; L240-V243 HydrophobicContact CD2-CG1 4.35Å; L240-V243 HydrophobicContact CG-CB 3.88Å; L240-V243 HydrophobicContact CG-CG1 3.87Å; L240-V243 HydrophobicContact CG-CG2 4.36Å; L240-V243 WeakPolarHBondContact O-CB 3.39Å; L240-V243 PolarHBondContact O-N 2.72Å; L240-F249 HydrophobicContact CD1-CD2 4.17Å; L240-F249 HydrophobicContact CD1-CE2 3.61Å; L240-F249 HydrophobicContact CD1-CZ 4.19Å
241N98.3Very high98.2Very high89 Ų8929.8 Ų29.848%0.47615%0.148SC..THydrogen-bonded Turntrans-55.9129.9-179.9-71.8-10.1000110.7L206 L207 H238L206-N241 WeakPolarHBondContact CB-O 3.44Å; L207-N241 HydrophobicContact CD1-CB 4.22Å; L207-N241 HydrophobicContact CG-CB 4.39Å; H238-N241 WeakPolarHBondContact O-CB 3.31Å; H238-N241 PolarHBondContact O-N 2.75Å; H238-N241 PolarHBondContact O-ND2 2.71Å
242G97.4Very high98.1Very high0 Ų030 Ų300%015%0.149CC..THydrogen-bonded Turntrans98.9-3.9-173.600000114.2L240 E244 F245L240-G242 PolarHBondContact O-N 2.83Å; G242-E244 WeakPolarHBondContact CA-OE2 3.5Å; G242-E244 PolarHBondContact N-OE2 2.68Å; G242-E244 PolarHBondContact O-N 2.92Å; G242-E244 VanDerWaalsContact O-N 3.11Å; G242-F245 WeakPolarHBondContact O-CB 3.08Å; G242-F245 VanDerWaalsContact O-CD2 3.23Å; G242-F245 WeakPolarHBondContact O-CD2 3.5Å; G242-F245 PolarHBondContact O-N 3.49Å
243V97.9Very high98.1Very high8 Ų830 Ų305%0.04815%0.149CC..G310 helixtrans-58.4-23.1173.6710000113L128 P129 F132 L206 L240 F245 A246 F249L128-V243 HydrophobicContact CD2-CG1 4.4Å; L128-V243 HydrophobicContact CD2-CG2 4.1Å; P129-V243 HydrophobicContact CG-CG1 4.21Å; F132-V243 HydrophobicContact CE2-CG2 4.39Å; L206-V243 HydrophobicContact CD1-CB 4.46Å; L240-V243 HydrophobicContact CD1-CB 3.76Å; L240-V243 HydrophobicContact CD1-CG1 4.28Å; L240-V243 HydrophobicContact CD1-CG2 3.87Å; L240-V243 HydrophobicContact CD2-CG1 4.35Å; L240-V243 HydrophobicContact CG-CB 3.88Å; L240-V243 HydrophobicContact CG-CG1 3.87Å; L240-V243 HydrophobicContact CG-CG2 4.36Å; L240-V243 WeakPolarHBondContact O-CB 3.39Å; L240-V243 PolarHBondContact O-N 2.72Å; V243-F245 PolarHBondContact O-N 3.01Å; V243-A246 HydrophobicContact CG2-CB 4.49Å; V243-A246 WeakPolarHBondContact O-CB 3.14Å; V243-A246 PolarHBondContact O-N 2.89Å; V243-F249 HydrophobicContact CG2-CB 4.33Å; V243-F249 HydrophobicContact CG2-CD2 4.16Å; V243-F249 HydrophobicContact CG2-CG 4.31Å
244E97.1Very high98.1Very high94 Ų9430.4 Ų30.444%0.43915%0.151SC..G310 helixtrans-60.9-20.1172.967.1-87.9-153.900113.7P129 G242 K269P129-E244 HydrophobicContact CG-CB 4.04Å; G242-E244 WeakPolarHBondContact CA-OE2 3.5Å; G242-E244 PolarHBondContact N-OE2 2.68Å; G242-E244 PolarHBondContact O-N 2.92Å; G242-E244 VanDerWaalsContact O-N 3.11Å; E244-K269 PolarHBondContact O-NZ 3.37Å
245F97.1Very high98.1Very high47 Ų4729.2 Ų29.221%0.20614%0.139CC..G310 helixtrans-79.1-30.8172.3-60.4-65.9000111.9L207 G210 P211 N214 L220 G242 V243 K269L207-F245 HydrophobicContact CD2-CE2 4.17Å; G210-F245 VanDerWaalsContact CA-CB 3.44Å; P211-F245 HydrophobicContact CG-CE1 4.13Å; P211-F245 HydrophobicContact CG-CE2 4.13Å; P211-F245 HydrophobicContact CG-CZ 3.86Å; N214-F245 PolarHBondContact OD1-O 3.13Å; L220-F245 HydrophobicContact CD2-CB 4.16Å; G242-F245 WeakPolarHBondContact O-CB 3.08Å; G242-F245 VanDerWaalsContact O-CD2 3.23Å; G242-F245 WeakPolarHBondContact O-CD2 3.5Å; G242-F245 PolarHBondContact O-N 3.49Å; V243-F245 PolarHBondContact O-N 3.01Å; F245-K269 PolarHBondContact O-NZ 3.25Å
246A96.8Very high98.1Very high0 Ų025.4 Ų25.40%012%0.121CC..  trans-62.7139.3-172.600000113.9F132 L220 V222 V243 K269F132-A246 HydrophobicContact CZ-CB 4.35Å; F132-A246 VanDerWaalsContact CZ-O 3.32Å; F132-A246 WeakPolarHBondContact CZ-O 3.37Å; L220-A246 HydrophobicContact CD2-CB 4.4Å; L220-A246 HydrophobicContact CG-CB 4.25Å; L220-A246 CarbonylContact O-C 3.52Å; V222-A246 HydrophobicContact CB-CB 4.45Å; V222-A246 HydrophobicContact CG2-CB 3.6Å; V243-A246 HydrophobicContact CG2-CB 4.49Å; V243-A246 WeakPolarHBondContact O-CB 3.14Å; V243-A246 PolarHBondContact O-N 2.89Å; A246-K269 WeakPolarHBondContact O-CE 3.41Å; A246-K269 PolarHBondContact O-NZ 3.18Å
247D97.3Very high98.1Very high23 Ų2324.1 Ų24.112%0.12312%0.115CC..SBendtrans-76.1-30.9168.4-66.8-85.7000111.3K162 W219 L220 V268 K269K162-D247 IonicContact NZ-OD1 3.35Å; K162-D247 PolarHBondContact NZ-OD1 3.3Å; W219-D247 VanDerWaalsContact CA-OD2 3.32Å; W219-D247 WeakPolarHBondContact CA-OD2 3.46Å; W219-D247 HydrophobicContact CD2-CB 3.6Å; W219-D247 VanDerWaalsContact CE2-CB 3.49Å; W219-D247 HydrophobicContact CE3-CB 4Å; W219-D247 HydrophobicContact CG-CB 4.05Å; W219-D247 HydrophobicContact CH2-CB 4.19Å; W219-D247 HydrophobicContact CZ2-CB 3.82Å; W219-D247 HydrophobicContact CZ3-CB 4.28Å; L220-D247 PolarHBondContact N-OD2 3Å; L220-D247 PolarHBondContact O-N 3.34Å; D247-V268 WeakPolarHBondContact O-CA 3.01Å; D247-K269 PolarHBondContact O-N 3.08Å
248S98.2Very high98.1Very high0 Ų022.6 Ų22.60%011%0.11CC..EExtended strand (participates in β ladder)trans-149.5151.4-179.857.40000112.1W219 L220 H221 V222 W267W219-S248 PolarHBondContact NE1-OG 2.76Å; L220-S248 PolarHBondContact O-N 3.26Å; H221-S248 WeakPolarHBondContact CA-O 3.41Å; H221-S248 PolarHBondContact ND1-OG 3.33Å; V222-S248 PolarHBondContact N-O 3.43Å; S248-W267 CarbonylContact C-O 3.59Å; S248-W267 WeakPolarHBondContact CA-O 3.31Å; S248-W267 WeakPolarHBondContact CB-O 3.43Å
249F98.3Very high98.1Very high0 Ų017.3 Ų17.30%09%0.085CC..EExtended strand (participates in β ladder)trans-141.2138.4-178.1166.8-100.1000109.3L126 L128 V222 A224 L240 V243 F251 M266 W267L126-F249 HydrophobicContact CD1-CE1 3.83Å; L126-F249 HydrophobicContact CD1-CZ 4.44Å; L128-F249 HydrophobicContact CD1-CD1 3.97Å; L128-F249 HydrophobicContact CD1-CE1 4.22Å; L128-F249 HydrophobicContact CD2-CD1 4.06Å; L128-F249 HydrophobicContact CD2-CE1 4.15Å; V222-F249 HydrophobicContact CB-CD2 4Å; V222-F249 HydrophobicContact CG1-CD2 3.8Å; V222-F249 HydrophobicContact CG1-CE2 4.26Å; V222-F249 WeakPolarHBondContact O-CA 3.5Å; A224-F249 HydrophobicContact CB-CD2 4.49Å; A224-F249 HydrophobicContact CB-CE2 3.54Å; A224-F249 HydrophobicContact CB-CZ 3.98Å; L240-F249 HydrophobicContact CD1-CD2 4.17Å; L240-F249 HydrophobicContact CD1-CE2 3.61Å; L240-F249 HydrophobicContact CD1-CZ 4.19Å; V243-F249 HydrophobicContact CG2-CB 4.33Å; V243-F249 HydrophobicContact CG2-CD2 4.16Å; V243-F249 HydrophobicContact CG2-CG 4.31Å; F249-F251 AromaticContact CE1-CD1 3.97Å; F249-F251 HydrophobicContact CE1-CD1 3.97Å; F249-F251 HydrophobicContact CZ-CD1 4.25Å; F249-M266 CarbonylContact O-C 3.59Å; F249-M266 WeakPolarHBondContact O-CA 3.14Å; F249-W267 AromaticContact CD1-CE3 3.63Å; F249-W267 HydrophobicContact CD1-CE3 3.63Å; F249-W267 HydrophobicContact CD1-CZ3 4.04Å; F249-W267 HydrophobicContact CE1-CE3 4.04Å; F249-W267 AromaticContact CE1-CZ3 3.95Å; F249-W267 HydrophobicContact CE1-CZ3 3.95Å; F249-W267 PolarHBondContact N-O 3.42Å; F249-W267 PolarHBondContact O-N 3.43Å
250N98.7Very high98Very high0 Ų016.9 Ų16.90%08%0.083CC..EExtended strand (participates in β ladder)trans-133.8155.9170.975.8-84.6000112.9A148 A151 H221 V222 D223 A224 A265 M266A148-N250 WeakPolarHBondContact CB-ND2 3.41Å; A151-N250 HydrophobicContact CB-CB 3.99Å; H221-N250 PolarHBondContact CE1-OD1 3.28Å; H221-N250 PolarHBondContact NE2-OD1 3.32Å; V222-N250 PolarHBondContact O-N 2.95Å; V222-N250 PolarHBondContact O-OD1 3.07Å; D223-N250 WeakPolarHBondContact CA-OD1 3.36Å; D223-N250 PolarHBondContact OD1-ND2 2.91Å; D223-N250 PolarHBondContact OD1-OD1 3.19Å; A224-N250 CarbonylContact C-O 3.48Å; A224-N250 WeakPolarHBondContact CA-O 3.26Å; A224-N250 WeakPolarHBondContact CB-O 3.42Å; A224-N250 PolarHBondContact N-O 3.49Å; N250-A265 CarbonylContact C-O 3.44Å; N250-A265 WeakPolarHBondContact CA-O 3.35Å; N250-A265 WeakPolarHBondContact CB-O 3.13Å; N250-M266 HydrophobicContact CB-CB 4.29Å
251F98.3Very high97.9Very high0 Ų023 Ų230%011%0.109CC..EExtended strand (participates in β ladder)trans-151.3171156.282.2-77.6000111.5L122 L126 A224 S229 F249 P253 L257 A265 W267L122-F251 HydrophobicContact CD1-CE1 4.33Å; L122-F251 HydrophobicContact CD1-CZ 3.87Å; L122-F251 HydrophobicContact CD2-CE1 3.72Å; L122-F251 HydrophobicContact CD2-CZ 3.64Å; L122-F251 HydrophobicContact CG-CE1 3.99Å; L122-F251 HydrophobicContact CG-CZ 3.96Å; L126-F251 HydrophobicContact CD1-CD1 4.2Å; L126-F251 HydrophobicContact CD1-CE1 3.67Å; L126-F251 HydrophobicContact CD2-CE1 4.4Å; L126-F251 HydrophobicContact CG-CE1 4.49Å; A224-F251 HydrophobicContact CB-CB 4.19Å; A224-F251 WeakPolarHBondContact O-CB 3.42Å; S229-F251 VanDerWaalsContact N-CD2 3.31Å; S229-F251 WeakPolarHBondContact OG-CE2 3.4Å; F249-F251 AromaticContact CE1-CD1 3.97Å; F249-F251 HydrophobicContact CE1-CD1 3.97Å; F249-F251 HydrophobicContact CZ-CD1 4.25Å; F251-P253 HydrophobicContact CE2-CG 4.12Å; F251-P253 HydrophobicContact CZ-CG 4.19Å; F251-P253 WeakPolarHBondContact O-CD 3.11Å; F251-L257 HydrophobicContact CE2-CD2 4.07Å; F251-L257 HydrophobicContact CZ-CD2 4.05Å; F251-A265 HydrophobicContact CD1-CB 4.48Å; F251-A265 HydrophobicContact CE1-CB 4.3Å; F251-A265 PolarHBondContact N-O 2.85Å; F251-A265 PolarHBondContact O-N 3.49Å; F251-W267 HydrophobicContact CD1-CH2 4.2Å; F251-W267 AromaticContact CD1-CZ3 3.82Å; F251-W267 HydrophobicContact CD1-CZ3 3.82Å; F251-W267 AromaticContact CE1-CH2 3.69Å; F251-W267 HydrophobicContact CE1-CH2 3.69Å; F251-W267 AromaticContact CE1-CZ3 3.81Å; F251-W267 HydrophobicContact CE1-CZ3 3.81Å
252N98.8Very high97.8Very high5 Ų520 Ų203%0.0279%0.093CC..  trans-108.4104.4-176.4-62.5-10.3000111.6A225 H254 K255 S264A225-N252 WeakPolarHBondContact O-CB 3.36Å; A225-N252 PolarHBondContact O-N 2.98Å; N252-H254 PolarHBondContact ND2-CE1 2.74Å; N252-H254 PolarHBondContact ND2-NE2 2.85Å; N252-H254 PolarHBondContact O-N 3.43Å; N252-H254 VanDerWaalsContact O-N 3.13Å; N252-K255 HydrophobicContact CB-CB 3.98Å; N252-K255 HydrophobicContact CB-CD 4.06Å; N252-K255 HydrophobicContact CB-CG 3.77Å; N252-K255 PolarHBondContact O-N 2.8Å; N252-S264 VanDerWaalsContact OD1-CB 3.31Å; N252-S264 WeakPolarHBondContact OD1-CB 3.33Å; N252-S264 PolarHBondContact OD1-OG 3.37Å
253P98.7Very high97.9Very high0 Ų020 Ų200%09%0.093CC..Hα-helixtrans-51.5-31.9164-30.234.8000113.2L122 F251 K255 L257 V259 C263 A265L122-P253 HydrophobicContact CD2-CG 4.12Å; F251-P253 HydrophobicContact CE2-CG 4.12Å; F251-P253 HydrophobicContact CZ-CG 4.19Å; F251-P253 WeakPolarHBondContact O-CD 3.11Å; P253-K255 VanDerWaalsContact C-N 3.25Å; P253-K255 PolarHBondContact O-N 2.95Å; P253-L257 HydrophobicContact CB-CB 4.09Å; P253-L257 HydrophobicContact CB-CD2 4.25Å; P253-L257 HydrophobicContact CG-CD2 4.45Å; P253-L257 CarbonylContact O-C 3.34Å; P253-L257 WeakPolarHBondContact O-CA 3.49Å; P253-L257 WeakPolarHBondContact O-CB 3.47Å; P253-L257 PolarHBondContact O-N 3.24Å; P253-V259 HydrophobicContact CB-CB 3.97Å; P253-V259 HydrophobicContact CB-CG2 3.89Å; P253-C263 VanDerWaalsContact CD-O 3.32Å; P253-C263 WeakPolarHBondContact CD-O 3.43Å; P253-A265 HydrophobicContact CG-CB 4.06Å
254H98.4Very high97.9Very high10 Ų1019.6 Ų19.65%0.0469%0.091CC..Hα-helixtrans-72.7-8.6175.171.5-115000116.5T82 A83 N252 V259 F261 C263T82-H254 CarbonylContact C-O 3.57Å; T82-H254 WeakPolarHBondContact CA-O 3.46Å; A83-H254 PolarHBondContact N-O 2.95Å; N252-H254 PolarHBondContact ND2-CE1 2.74Å; N252-H254 PolarHBondContact ND2-NE2 2.85Å; N252-H254 PolarHBondContact O-N 3.43Å; N252-H254 VanDerWaalsContact O-N 3.13Å; H254-V259 WeakPolarHBondContact CA-O 3.27Å; H254-F261 HydrophobicContact CB-CB 4.28Å; H254-F261 HydrophobicContact CB-CD2 4.49Å; H254-F261 AromaticContact CD2-CD2 3.66Å; H254-F261 AromaticContact CE1-CD2 3.93Å; H254-F261 AromaticContact CG-CD2 3.8Å; H254-F261 AromaticContact ND1-CD2 3.96Å; H254-F261 AromaticContact NE2-CD2 3.79Å; H254-F261 AromaticContact NE2-CE2 3.95Å; H254-C263 HydrophobicContact CB-CB 4.25Å; H254-C263 PolarHBondContact N-O 2.76Å; H254-C263 PolarHBondContact ND1-N 2.81Å; H254-C263 PolarHBondContact ND1-O 2.94Å
255K98.3Very high98Very high45 Ų4515.1 Ų15.120%0.1967%0.07CC..Hα-helixtrans-86.9-52.2171.5-79.2-175.4173.4179.60110.7P81 A83 A225 N252 P253P81-K255 CarbonylContact C-O 3.54Å; P81-K255 VanDerWaalsContact CB-O 3.31Å; P81-K255 WeakPolarHBondContact CB-O 3.33Å; P81-K255 CarbonylContact O-C 3.54Å; P81-K255 VanDerWaalsContact O-CA 3.26Å; P81-K255 WeakPolarHBondContact O-CA 3.39Å; A83-K255 WeakPolarHBondContact CB-O 3.5Å; A83-K255 PolarHBondContact N-O 2.78Å; A225-K255 HydrophobicContact CB-CD 4.17Å; A225-K255 WeakPolarHBondContact O-CD 3.43Å; N252-K255 HydrophobicContact CB-CB 3.98Å; N252-K255 HydrophobicContact CB-CD 4.06Å; N252-K255 HydrophobicContact CB-CG 3.77Å; N252-K255 PolarHBondContact O-N 2.8Å; P253-K255 VanDerWaalsContact C-N 3.25Å; P253-K255 PolarHBondContact O-N 2.95Å
256W98.4Very high98.1Very high0 Ų012.9 Ų12.90%06%0.06CC..Hα-helixtrans-146.127.1-167.7-152.526.9000115.1P81 Y226 S229 A230 Y329 I330 H333 V334 L358P81-W256 HydrophobicContact CG-CG 4.35Å; Y226-W256 HydrophobicContact CD2-CB 4.29Å; Y226-W256 HydrophobicContact CD2-CD2 4.35Å; Y226-W256 HydrophobicContact CD2-CE3 4.11Å; Y226-W256 HydrophobicContact CD2-CG 4.47Å; Y226-W256 HydrophobicContact CE1-CE3 4.32Å; Y226-W256 HydrophobicContact CE1-CZ3 4.16Å; Y226-W256 HydrophobicContact CE2-CB 4.2Å; Y226-W256 AromaticContact CE2-CD2 3.54Å; Y226-W256 HydrophobicContact CE2-CD2 3.54Å; Y226-W256 AromaticContact CE2-CE3 3.47Å; Y226-W256 HydrophobicContact CE2-CE3 3.47Å; Y226-W256 VanDerWaalsContact CE2-CE3 3.47Å; Y226-W256 AromaticContact CE2-CG 3.9Å; Y226-W256 HydrophobicContact CE2-CG 3.9Å; Y226-W256 HydrophobicContact CE2-CZ3 4.02Å; Y226-W256 AromaticContact CZ-CD2 3.97Å; Y226-W256 AromaticContact CZ-CE3 3.6Å; Y226-W256 AromaticContact CZ-CZ3 3.63Å; Y226-W256 WeakPolarHBondContact OH-CH2 3.3Å; Y226-W256 WeakPolarHBondContact OH-CZ2 3.4Å; Y226-W256 WeakPolarHBondContact OH-CZ3 3.39Å; S229-W256 WeakPolarHBondContact CB-O 3.33Å; A230-W256 HydrophobicContact CB-CZ3 4.06Å; W256-Y329 AromaticContact CD1-CE1 3.73Å; W256-Y329 AromaticContact CD1-CZ 3.95Å; W256-I330 HydrophobicContact CH2-CG2 4.06Å; W256-I330 HydrophobicContact CZ2-CG2 4.34Å; W256-I330 HydrophobicContact CZ3-CG2 4.29Å; W256-H333 AromaticContact CD1-ND1 3.98Å; W256-H333 HydrophobicContact CZ2-CB 3.52Å; W256-H333 AromaticContact NE1-CE1 3.88Å; W256-H333 AromaticContact NE1-CG 3.51Å; W256-H333 AromaticContact NE1-ND1 3.08Å; W256-H333 PolarHBondContact NE1-ND1 2.63Å; W256-V334 HydrophobicContact CH2-CG2 3.83Å; W256-V334 HydrophobicContact CZ2-CG2 4.33Å; W256-L358 HydrophobicContact CH2-CB 3.99Å; W256-L358 HydrophobicContact CH2-CD2 4.48Å; W256-L358 HydrophobicContact CZ3-CB 4.13Å; W256-L358 HydrophobicContact CZ3-CD1 4.12Å; W256-L358 HydrophobicContact CZ3-CD2 4.46Å; W256-L358 HydrophobicContact CZ3-CG 4.48Å
257L98.3Very high98.2Very high0 Ų013 Ų130%06%0.061CC..SBendtrans-130.426.9179.4-156.665.5000114L122 I232 F251 P253 V259 F318 L326 I330L122-L257 HydrophobicContact CD1-CD2 3.88Å; I232-L257 HydrophobicContact CD1-CD1 3.66Å; F251-L257 HydrophobicContact CE2-CD2 4.07Å; F251-L257 HydrophobicContact CZ-CD2 4.05Å; P253-L257 HydrophobicContact CB-CB 4.09Å; P253-L257 HydrophobicContact CB-CD2 4.25Å; P253-L257 HydrophobicContact CG-CD2 4.45Å; P253-L257 CarbonylContact O-C 3.34Å; P253-L257 WeakPolarHBondContact O-CA 3.49Å; P253-L257 WeakPolarHBondContact O-CB 3.47Å; P253-L257 PolarHBondContact O-N 3.24Å; L257-V259 PolarHBondContact O-N 3.42Å; L257-F318 HydrophobicContact CD2-CE1 3.79Å; L257-F318 HydrophobicContact CD2-CZ 4.09Å; L257-F318 HydrophobicContact CG-CE1 4.36Å; L257-L326 HydrophobicContact CD1-CB 4.3Å; L257-L326 HydrophobicContact CD1-CD1 4.34Å; L257-L326 HydrophobicContact CD1-CD2 4.39Å; L257-I330 HydrophobicContact CD1-CD1 4.37Å
258L98.4Very high98.2Very high3 Ų311.9 Ų11.92%0.0166%0.055CC..SBendtrans60.411.9174.4-59-175.8000116.8S85 V317 Y321 L326 Y329 R405S85-L258 WeakPolarHBondContact CB-O 3.27Å; S85-L258 PolarHBondContact OG-O 3.49Å; L258-V317 HydrophobicContact CB-CG1 4.22Å; L258-Y321 HydrophobicContact CB-CE2 4.35Å; L258-Y321 HydrophobicContact CD1-CD1 4.32Å; L258-Y321 HydrophobicContact CD1-CD2 4.29Å; L258-Y321 HydrophobicContact CD1-CE1 4.03Å; L258-Y321 HydrophobicContact CD1-CE2 3.97Å; L258-Y321 HydrophobicContact CD1-CG 4.45Å; L258-L326 HydrophobicContact CB-CD2 4.41Å; L258-L326 HydrophobicContact CD1-CD2 4.17Å; L258-L326 HydrophobicContact CG-CD2 4.46Å; L258-Y329 HydrophobicContact CD1-CD1 4.21Å; L258-Y329 HydrophobicContact CD1-CD2 4.25Å; L258-Y329 HydrophobicContact CD1-CG 4.02Å; L258-Y329 HydrophobicContact CD2-CD1 4.18Å; L258-Y329 HydrophobicContact CD2-CD2 4.09Å; L258-Y329 HydrophobicContact CD2-CE1 3.76Å; L258-Y329 HydrophobicContact CD2-CE2 3.66Å; L258-Y329 HydrophobicContact CD2-CG 4.33Å; L258-Y329 VanDerWaalsContact CD2-CZ 3.49Å; L258-Y329 HydrophobicContact CG-CD1 3.94Å; L258-Y329 HydrophobicContact CG-CD2 4.43Å; L258-Y329 HydrophobicContact CG-CE1 3.91Å; L258-Y329 HydrophobicContact CG-CE2 4.4Å; L258-Y329 HydrophobicContact CG-CG 4.2Å; L258-R405 HydrophobicContact CD2-CB 4.27Å; L258-R405 HydrophobicContact CD2-CG 3.94Å
259V98.4Very high98Very high0 Ų014 Ų140%06%0.064CC..PPolyproline II helixtrans-91.2132.4171.4-176.50000108.2A83 P253 H254 L257 C263 K313 M314 V317A83-V259 CarbonylContact O-C 3.48Å; P253-V259 HydrophobicContact CB-CB 3.97Å; P253-V259 HydrophobicContact CB-CG2 3.89Å; H254-V259 WeakPolarHBondContact CA-O 3.27Å; L257-V259 PolarHBondContact O-N 3.42Å; V259-C263 HydrophobicContact CG1-CB 3.73Å; V259-K313 HydrophobicContact CG1-CB 4.39Å; V259-K313 HydrophobicContact CG1-CD 3.57Å; V259-K313 HydrophobicContact CG1-CG 3.75Å; V259-M314 HydrophobicContact CG1-CG 4.25Å; V259-M314 HydrophobicContact CG2-CG 4.11Å; V259-V317 HydrophobicContact CG2-CB 4.15Å; V259-V317 HydrophobicContact CG2-CG1 4.11Å; V259-V317 HydrophobicContact CG2-CG2 4.08Å
260N95.9Very high97.8Very high24 Ų2418.1 Ų18.113%0.1288%0.082CC..PPolyproline II helixtrans-74.9153.9-179.466-68.9000112.4A83 A88 D92 K313A83-N260 WeakPolarHBondContact O-CA 3.32Å; A88-N260 HydrophobicContact CB-CB 4.38Å; A88-N260 WeakPolarHBondContact CB-OD1 3.44Å; A88-N260 PolarHBondContact O-OD1 3.02Å; D92-N260 PolarHBondContact OD2-ND2 3.12Å; D92-N260 PolarHBondContact OD2-OD1 3.03Å; N260-K313 WeakPolarHBondContact O-CE 3.27Å; N260-K313 PolarHBondContact O-NZ 2.67Å; N260-K313 WeakPolarHBondContact OD1-CD 3.47Å
261F96.6Very high97.5Very high134 Ų13421.1 Ų21.159%0.5889%0.093SC*.SBendtrans-59.9138.3176.1-173-87.1000111.5H254H254-F261 HydrophobicContact CB-CB 4.28Å; H254-F261 HydrophobicContact CB-CD2 4.49Å; H254-F261 AromaticContact CD2-CD2 3.66Å; H254-F261 AromaticContact CE1-CD2 3.93Å; H254-F261 AromaticContact CG-CD2 3.8Å; H254-F261 AromaticContact ND1-CD2 3.96Å; H254-F261 AromaticContact NE2-CD2 3.79Å; H254-F261 AromaticContact NE2-CE2 3.95Å
262D97.4Very high97.3Very high27 Ų2725.3 Ų25.314%0.14412%0.119CC..SBendcis-91.8144.4-0.566.9-42.9000113G146 R310 K313G146-D262 WeakPolarHBondContact CA-OD2 3.4Å; D262-R310 IonicContact OD2-CZ 3.04Å; D262-R310 VanDerWaalsContact OD2-CZ 3.31Å; D262-R310 IonicContact OD2-NE 3.25Å; D262-R310 PolarHBondContact OD2-NE 3.44Å; D262-R310 IonicContact OD2-NH2 2.73Å; D262-R310 PolarHBondContact OD2-NH2 3.24Å; D262-K313 WeakPolarHBondContact O-CE 3.23Å; D262-K313 PolarHBondContact O-NZ 3.39Å
263C98.5Very high97Very high0 Ų026.1 Ų26.10%012%0.123CC..  trans-173.694.9175.1-173.20000111P253 H254 V259P253-C263 VanDerWaalsContact CD-O 3.32Å; P253-C263 WeakPolarHBondContact CD-O 3.43Å; H254-C263 HydrophobicContact CB-CB 4.25Å; H254-C263 PolarHBondContact N-O 2.76Å; H254-C263 PolarHBondContact ND1-N 2.81Å; H254-C263 PolarHBondContact ND1-O 2.94Å; V259-C263 HydrophobicContact CG1-CB 3.73Å
264S98.6Very high96.8Very high0 Ų026.1 Ų26.10%012%0.123CC..EExtended strand (participates in β ladder)trans-115.5121.8175.9-174.10000109.3I144 Q145 S147 A148 N252I144-S264 CarbonylContact C-O 3.58Å; I144-S264 WeakPolarHBondContact CA-O 3.22Å; Q145-S264 PolarHBondContact N-O 3.15Å; Q145-S264 PolarHBondContact O-N 3.08Å; S147-S264 VanDerWaalsContact C-CB 3.44Å; A148-S264 PolarHBondContact N-OG 3.27Å; N252-S264 VanDerWaalsContact OD1-CB 3.31Å; N252-S264 WeakPolarHBondContact OD1-CB 3.33Å; N252-S264 PolarHBondContact OD1-OG 3.37Å
265A98.8Very high96.6Very high0 Ų027.5 Ų27.50%013%0.132CC..EExtended strand (participates in β ladder)trans-93.1122.5-176.800000108.7M119 L122 N250 F251 P253 W267M119-A265 HydrophobicContact CE-CB 3.86Å; M119-A265 HydrophobicContact SD-CB 4.1Å; L122-A265 HydrophobicContact CD2-CB 3.91Å; N250-A265 CarbonylContact C-O 3.44Å; N250-A265 WeakPolarHBondContact CA-O 3.35Å; N250-A265 WeakPolarHBondContact CB-O 3.13Å; F251-A265 HydrophobicContact CD1-CB 4.48Å; F251-A265 HydrophobicContact CE1-CB 4.3Å; F251-A265 PolarHBondContact N-O 2.85Å; F251-A265 PolarHBondContact O-N 3.49Å; P253-A265 HydrophobicContact CG-CB 4.06Å; A265-W267 HydrophobicContact CB-CH2 3.52Å; A265-W267 HydrophobicContact CB-CZ2 4.47Å; A265-W267 HydrophobicContact CB-CZ3 3.55Å
266M98.6Very high96.3Very high0 Ų027.1 Ų27.10%014%0.141CC..EExtended strand (participates in β ladder)trans-123.8134.2178.8178.6-175.4-17800109.7M119 G142 V143 Q145 A151 V154 A155 F249 N250 V268M119-M266 WeakPolarHBondContact CE-O 3.43Å; G142-M266 CarbonylContact C-O 3.57Å; G142-M266 VanDerWaalsContact CA-O 3.22Å; G142-M266 WeakPolarHBondContact CA-O 3.32Å; V143-M266 HydrophobicContact CG1-CB 4.14Å; V143-M266 PolarHBondContact N-O 3.35Å; V143-M266 PolarHBondContact O-N 3.46Å; Q145-M266 HydrophobicContact CG-CB 4.16Å; Q145-M266 HydrophobicContact CG-SD 4.34Å; A151-M266 HydrophobicContact CB-CB 4.02Å; A151-M266 HydrophobicContact CB-CG 4.1Å; A151-M266 HydrophobicContact CB-SD 3.73Å; A151-M266 WeakPolarHBondContact O-CE 3.49Å; V154-M266 HydrophobicContact CB-CE 4.36Å; V154-M266 HydrophobicContact CB-SD 4.28Å; V154-M266 HydrophobicContact CG1-CE 3.93Å; V154-M266 HydrophobicContact CG1-SD 4Å; A155-M266 HydrophobicContact CB-CE 3.87Å; F249-M266 CarbonylContact O-C 3.59Å; F249-M266 WeakPolarHBondContact O-CA 3.14Å; N250-M266 HydrophobicContact CB-CB 4.29Å; M266-V268 HydrophobicContact CE-CG1 3.86Å
267W98.6Very high96Very high1 Ų128.4 Ų28.40%0.00415%0.152CC..EExtended strand (participates in β ladder)trans-116.2148.7170.5-65.9-97.8000110.8M119 L122 L126 L128 F132 G141 S248 F249 F251 A265M119-W267 HydrophobicContact CE-CD2 3.75Å; M119-W267 HydrophobicContact CE-CE3 4.09Å; M119-W267 HydrophobicContact CE-CG 4.37Å; M119-W267 HydrophobicContact CE-CH2 3.78Å; M119-W267 HydrophobicContact CE-CZ2 3.42Å; M119-W267 VanDerWaalsContact CE-CZ2 3.42Å; M119-W267 HydrophobicContact CE-CZ3 4.1Å; M119-W267 WeakPolarHBondContact O-CZ2 3.42Å; M119-W267 PolarHBondContact O-NE1 2.87Å; M119-W267 HydrophobicContact SD-CZ2 4.29Å; L122-W267 HydrophobicContact CB-CH2 4.23Å; L122-W267 HydrophobicContact CB-CZ2 3.95Å; L122-W267 HydrophobicContact CD2-CH2 3.59Å; L122-W267 HydrophobicContact CD2-CZ2 4.1Å; L122-W267 HydrophobicContact CG-CH2 3.71Å; L122-W267 HydrophobicContact CG-CZ2 3.94Å; L126-W267 HydrophobicContact CD1-CH2 4.04Å; L126-W267 HydrophobicContact CD1-CZ3 4.31Å; L128-W267 HydrophobicContact CD1-CD2 3.66Å; L128-W267 HydrophobicContact CD1-CE3 4.02Å; L128-W267 HydrophobicContact CD1-CG 3.94Å; L128-W267 HydrophobicContact CD1-CZ2 4.37Å; F132-W267 HydrophobicContact CB-CB 4.04Å; F132-W267 HydrophobicContact CB-CG 4.32Å; F132-W267 HydrophobicContact CD1-CB 3.63Å; F132-W267 HydrophobicContact CE1-CB 4.43Å; F132-W267 HydrophobicContact CG-CB 4.15Å; F132-W267 VanDerWaalsContact O-CD1 3.29Å; G141-W267 VanDerWaalsContact O-CA 3.32Å; G141-W267 WeakPolarHBondContact O-CA 3.44Å; S248-W267 CarbonylContact C-O 3.59Å; S248-W267 WeakPolarHBondContact CA-O 3.31Å; S248-W267 WeakPolarHBondContact CB-O 3.43Å; F249-W267 AromaticContact CD1-CE3 3.63Å; F249-W267 HydrophobicContact CD1-CE3 3.63Å; F249-W267 HydrophobicContact CD1-CZ3 4.04Å; F249-W267 HydrophobicContact CE1-CE3 4.04Å; F249-W267 AromaticContact CE1-CZ3 3.95Å; F249-W267 HydrophobicContact CE1-CZ3 3.95Å; F249-W267 PolarHBondContact N-O 3.42Å; F249-W267 PolarHBondContact O-N 3.43Å; F251-W267 HydrophobicContact CD1-CH2 4.2Å; F251-W267 AromaticContact CD1-CZ3 3.82Å; F251-W267 HydrophobicContact CD1-CZ3 3.82Å; F251-W267 AromaticContact CE1-CH2 3.69Å; F251-W267 HydrophobicContact CE1-CH2 3.69Å; F251-W267 AromaticContact CE1-CZ3 3.81Å; F251-W267 HydrophobicContact CE1-CZ3 3.81Å; A265-W267 HydrophobicContact CB-CH2 3.52Å; A265-W267 HydrophobicContact CB-CZ2 4.47Å; A265-W267 HydrophobicContact CB-CZ3 3.55Å
268V97.7Very high95.8Very high1 Ų130 Ų301%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-126.7143.5170.2-65.70000109.7F132 G140 G141 D247 M266 K270 L274 W301F132-V268 VanDerWaalsContact CD1-C 3.49Å; G140-V268 CarbonylContact C-O 3.57Å; G140-V268 WeakPolarHBondContact CA-O 3.49Å; G141-V268 PolarHBondContact N-O 3.41Å; G141-V268 PolarHBondContact O-N 3.11Å; D247-V268 WeakPolarHBondContact O-CA 3.01Å; M266-V268 HydrophobicContact CE-CG1 3.86Å; V268-K270 VanDerWaalsContact C-N 3.32Å; V268-L274 HydrophobicContact CB-CD1 4.34Å; V268-L274 HydrophobicContact CB-CG 4.37Å; V268-L274 HydrophobicContact CG1-CD1 3.65Å; V268-L274 HydrophobicContact CG1-CD2 3.97Å; V268-L274 HydrophobicContact CG1-CG 3.77Å; V268-L274 HydrophobicContact CG2-CD1 3.77Å; V268-L274 HydrophobicContact CG2-CG 4.01Å; V268-W301 HydrophobicContact CG2-CE3 4.21Å; V268-W301 HydrophobicContact CG2-CH2 4.18Å; V268-W301 HydrophobicContact CG2-CZ3 3.59Å
269K95.3Very high95.4Very high43 Ų4337.9 Ų37.919%0.18719%0.188CC..SBendtrans-73.6-27179.6-166.2179.6-71.9158.30112.2A131 F132 E139 G140 E244 F245 A246 D247A131-K269 HydrophobicContact CB-CD 4.47Å; A131-K269 HydrophobicContact CB-CG 3.77Å; F132-K269 HydrophobicContact CD1-CB 4.32Å; F132-K269 HydrophobicContact CE1-CB 3.93Å; F132-K269 HydrophobicContact CZ-CB 4.31Å; E139-K269 CarbonylContact C-O 3.17Å; G140-K269 VanDerWaalsContact CA-O 3.23Å; G140-K269 WeakPolarHBondContact CA-O 3.38Å; G140-K269 PolarHBondContact N-O 3.1Å; G140-K269 VanDerWaalsContact N-O 3.11Å; E244-K269 PolarHBondContact O-NZ 3.37Å; F245-K269 PolarHBondContact O-NZ 3.25Å; A246-K269 WeakPolarHBondContact O-CE 3.41Å; A246-K269 PolarHBondContact O-NZ 3.18Å; D247-K269 PolarHBondContact O-N 3.08Å
270K94.2Very high94.6Very high88 Ų8842 Ų4238%0.38321%0.21SC..  trans-134.5112.6178.3-64.6-174.6179.1-176.20110.6V268 T272 D273V268-K270 VanDerWaalsContact C-N 3.32Å; K270-T272 PolarHBondContact O-N 3.1Å; K270-D273 WeakPolarHBondContact O-CB 3.35Å; K270-D273 PolarHBondContact O-N 2.87Å
271R92.4Very high94.1Very high63 Ų6343.3 Ų43.324%0.23822%0.217CC..Hα-helixtrans-61-31.7179.867.1-172.763.1-174.8-1.4113.6E139 G140 D273 L274 T275 W301E139-R271 WeakPolarHBondContact O-CB 3.28Å; E139-R271 WeakPolarHBondContact O-CG 3.33Å; E139-R271 PolarHBondContact O-N 3.35Å; E139-R271 PolarHBondContact O-NE 3.43Å; E139-R271 VanDerWaalsContact O-NE 3.12Å; G140-R271 PolarHBondContact O-NE 3.02Å; G140-R271 PolarHBondContact O-NH2 3.18Å; R271-D273 PolarHBondContact O-N 3.39Å; R271-L274 PolarHBondContact O-N 3.12Å; R271-L274 VanDerWaalsContact O-N 3.15Å; R271-T275 PolarHBondContact O-N 3.34Å; R271-T275 PolarHBondContact O-OG1 2.98Å; R271-W301 HydrophobicContact CB-CH2 3.47Å; R271-W301 VanDerWaalsContact CB-CH2 3.47Å; R271-W301 HydrophobicContact CB-CZ2 3.27Å; R271-W301 HydrophobicContact CG-CZ2 4.38Å
272T92.5Very high93.6Very high87 Ų8738.5 Ų38.553%0.53420%0.199SC..Hα-helixtrans-63.9-24.7179.746.80000112.9K270 T275 G276K270-T272 PolarHBondContact O-N 3.1Å; T272-T275 WeakPolarHBondContact CA-OG1 3.45Å; T272-G276 WeakPolarHBondContact O-CA 3.46Å; T272-G276 PolarHBondContact O-N 3.49Å
273D94.1Very high93.1Very high23 Ų2342.9 Ų42.912%0.12323%0.227CC..Hα-helixtrans-69.5-36.8175.8-70.3-15.7000111K162 W219 K270 R271K162-D273 IonicContact NZ-OD1 2.72Å; K162-D273 IonicContact NZ-OD2 3.8Å; K162-D273 PolarHBondContact NZ-OD2 3.3Å; W219-D273 HydrophobicContact CH2-CB 3.67Å; W219-D273 HydrophobicContact CZ3-CB 3.67Å; W219-D273 WeakPolarHBondContact CZ3-OD2 3.45Å; K270-D273 WeakPolarHBondContact O-CB 3.35Å; K270-D273 PolarHBondContact O-N 2.87Å; R271-D273 PolarHBondContact O-N 3.39Å
274L94.6Very high92.3Very high0 Ų051.4 Ų51.40%026%0.261CS..Hα-helixtrans-75.2-50.9172.7-65.2-170.2000111.6V154 A158 V268 R271 G276 A277 F278 H300 W301V154-L274 HydrophobicContact CG1-CD1 4.46Å; V154-L274 HydrophobicContact CG1-CD2 3.63Å; A158-L274 HydrophobicContact CB-CD2 3.69Å; V268-L274 HydrophobicContact CB-CD1 4.34Å; V268-L274 HydrophobicContact CB-CG 4.37Å; V268-L274 HydrophobicContact CG1-CD1 3.65Å; V268-L274 HydrophobicContact CG1-CD2 3.97Å; V268-L274 HydrophobicContact CG1-CG 3.77Å; V268-L274 HydrophobicContact CG2-CD1 3.77Å; V268-L274 HydrophobicContact CG2-CG 4.01Å; R271-L274 PolarHBondContact O-N 3.12Å; R271-L274 VanDerWaalsContact O-N 3.15Å; L274-G276 PolarHBondContact O-N 3.34Å; L274-A277 PolarHBondContact O-N 2.59Å; L274-F278 HydrophobicContact CD2-CE2 4.43Å; L274-F278 VanDerWaalsContact O-CD2 3.27Å; L274-F278 WeakPolarHBondContact O-CD2 3.42Å; L274-F278 PolarHBondContact O-N 3.5Å; L274-H300 CarbonylContact C-O 3.58Å; L274-W301 HydrophobicContact CD1-CB 4.1Å; L274-W301 HydrophobicContact CD1-CD2 3.91Å; L274-W301 HydrophobicContact CD1-CE3 3.52Å; L274-W301 HydrophobicContact CD1-CG 4.18Å; L274-W301 HydrophobicContact CD1-CZ3 4.26Å
275T92.8Very high91.8Very high38 Ų3851.9 Ų51.923%0.23326%0.263CS..Hα-helixtrans-63.7-33.7-176.863.10000111.3R271 T272 A277 F278 R279 H300R271-T275 PolarHBondContact O-N 3.34Å; R271-T275 PolarHBondContact O-OG1 2.98Å; T272-T275 WeakPolarHBondContact CA-OG1 3.45Å; T275-A277 PolarHBondContact O-N 3.05Å; T275-F278 PolarHBondContact O-N 3.35Å; T275-R279 WeakPolarHBondContact O-CB 3.41Å; T275-R279 PolarHBondContact O-N 2.88Å; T275-H300 HydrophobicContact CG2-CB 3.85Å
276G91.3Very high91.1Very high37 Ų3757.3 Ų57.338%0.38129%0.287SS..Hα-helixtrans-60.3-26.8172.800000114.2T272 L274T272-G276 WeakPolarHBondContact O-CA 3.46Å; T272-G276 PolarHBondContact O-N 3.49Å; L274-G276 PolarHBondContact O-N 3.34Å
277A93.3Very high90.4Very high27 Ų2758.6 Ų58.622%0.22329%0.292CS..Hα-helixtrans-91.3-31.6178.900000114.1A158 T161 L274 T275A158-A277 HydrophobicContact CB-CB 4.46Å; T161-A277 HydrophobicContact CG2-CB 4.25Å; L274-A277 PolarHBondContact O-N 2.59Å; T275-A277 PolarHBondContact O-N 3.05Å
278F94.1Very high89.6Confident35 Ų3563.8 Ų63.815%0.15433%0.329CS..Hα-helixtrans-121.712.7-169.6-56.7-73.7000114.2V154 L157 L274 T275 L280 H300V154-F278 HydrophobicContact CB-CE2 4.46Å; V154-F278 HydrophobicContact CB-CZ 4.39Å; V154-F278 HydrophobicContact CG1-CE2 3.8Å; V154-F278 HydrophobicContact CG1-CZ 4.22Å; V154-F278 HydrophobicContact CG2-CZ 4.28Å; L157-F278 HydrophobicContact CB-CE1 4.25Å; L157-F278 HydrophobicContact CB-CZ 3.68Å; L157-F278 HydrophobicContact CD1-CE1 3.82Å; L157-F278 HydrophobicContact CD1-CZ 3.87Å; L157-F278 HydrophobicContact CG-CZ 4.44Å; L274-F278 HydrophobicContact CD2-CE2 4.43Å; L274-F278 VanDerWaalsContact O-CD2 3.27Å; L274-F278 WeakPolarHBondContact O-CD2 3.42Å; L274-F278 PolarHBondContact O-N 3.5Å; T275-F278 PolarHBondContact O-N 3.35Å; F278-L280 PolarHBondContact O-N 3.48Å; F278-H300 PolarHBondContact O-ND1 2.96Å
279R89.2Confident88.8Confident167 Ų16767.5 Ų67.563%0.6335%0.346SS*.  trans-58.5127.5179.3-166.3166.3-177.9165.15.2111T275 D281T275-R279 WeakPolarHBondContact O-CB 3.41Å; T275-R279 PolarHBondContact O-N 2.88Å; R279-D281 IonicContact CZ-OD2 3.05Å; R279-D281 VanDerWaalsContact CZ-OD2 3.3Å; R279-D281 IonicContact NE-OD2 3.7Å; R279-D281 PolarHBondContact NE-OD2 3.5Å; R279-D281 IonicContact NH2-OD2 3.33Å; R279-D281 PolarHBondContact NH2-OD2 3.18Å
280L82.5Confident87.8Confident88 Ų8867.4 Ų67.446%0.46135%0.346SS..  trans-143.9102.6180179.966.3000109.6F278 P282 H300F278-L280 PolarHBondContact O-N 3.48Å; L280-P282 HydrophobicContact CG-CG 4.46Å; L280-P282 WeakPolarHBondContact O-CD 3.19Å; L280-H300 PolarHBondContact N-CE1 3.37Å; L280-H300 VanDerWaalsContact N-CE1 3.29Å; L280-H300 PolarHBondContact N-ND1 3Å; L280-H300 PolarHBondContact O-CE1 2.99Å; L280-H300 VanDerWaalsContact O-CE1 3.29Å
281D84.6Confident86.7Confident50 Ų5069.2 Ų69.227%0.26736%0.36SS..  trans-122.354-172.8-69.2-27.9000114.4R279 R299 H300R279-D281 IonicContact CZ-OD2 3.05Å; R279-D281 VanDerWaalsContact CZ-OD2 3.3Å; R279-D281 IonicContact NE-OD2 3.7Å; R279-D281 PolarHBondContact NE-OD2 3.5Å; R279-D281 IonicContact NH2-OD2 3.33Å; R279-D281 PolarHBondContact NH2-OD2 3.18Å; D281-R299 IonicContact OD1-NH2 3.7Å; D281-R299 PolarHBondContact OD1-NH2 2.83Å; D281-H300 IonicContact OD1-CE1 3.9Å; D281-H300 PolarHBondContact OD1-CE1 3.28Å; D281-H300 IonicContact OD1-NE2 3.26Å; D281-H300 PolarHBondContact OD1-NE2 3Å
282P86.3Confident85.7Confident34 Ų3468.5 Ų68.522%0.22137%0.365CS..  trans-65.2149.4170.732.2-36.4000110.3L280 Y284 L285L280-P282 HydrophobicContact CG-CG 4.46Å; L280-P282 WeakPolarHBondContact O-CD 3.19Å; P282-Y284 HydrophobicContact CB-CD1 3.82Å; P282-Y284 HydrophobicContact CB-CE1 3.42Å; P282-Y284 VanDerWaalsContact CB-CE1 3.42Å; P282-Y284 HydrophobicContact CG-CD1 4.2Å; P282-Y284 HydrophobicContact CG-CE1 3.62Å; P282-Y284 HydrophobicContact CG-CE2 4.21Å; P282-Y284 PolarHBondContact O-N 3.03Å; P282-Y284 VanDerWaalsContact O-N 3.08Å; P282-L285 HydrophobicContact CG-CB 4.06Å; P282-L285 HydrophobicContact CG-CD1 3.59Å; P282-L285 HydrophobicContact CG-CG 3.75Å; P282-L285 PolarHBondContact O-N 3.07Å
283T86.7Confident84.6Confident118 Ų11867.3 Ų67.372%0.72437%0.37SS*.G310 helixtrans-53.8-36-173.2-52.90000113.7L285 K286T283-L285 PolarHBondContact O-N 3.31Å; T283-K286 PolarHBondContact O-N 3.15Å
284Y83.2Confident83.5Confident180 Ų18072.6 Ų72.671%0.70640%0.398SS*.G310 helixtrans-73.3-10.1-178.666.8-96.6000114.5P282P282-Y284 HydrophobicContact CB-CD1 3.82Å; P282-Y284 HydrophobicContact CB-CE1 3.42Å; P282-Y284 VanDerWaalsContact CB-CE1 3.42Å; P282-Y284 HydrophobicContact CG-CD1 4.2Å; P282-Y284 HydrophobicContact CG-CE1 3.62Å; P282-Y284 HydrophobicContact CG-CE2 4.21Å; P282-Y284 PolarHBondContact O-N 3.03Å; P282-Y284 VanDerWaalsContact O-N 3.08Å
285L86.3Confident82.6Confident9 Ų974.1 Ų74.15%0.04741%0.406CS..G310 helixtrans-101.8-1.9176.2-69-174.6000113.3F103 P282 T283 R299 L305F103-L285 HydrophobicContact CD2-CD2 3.85Å; F103-L285 HydrophobicContact CE2-CD2 3.72Å; P282-L285 HydrophobicContact CG-CB 4.06Å; P282-L285 HydrophobicContact CG-CD1 3.59Å; P282-L285 HydrophobicContact CG-CG 3.75Å; P282-L285 PolarHBondContact O-N 3.07Å; T283-L285 PolarHBondContact O-N 3.31Å; L285-R299 PolarHBondContact O-NH1 3.44Å; L285-L305 HydrophobicContact CD1-CD1 3.73Å; L285-L305 HydrophobicContact CD1-CD2 4.22Å; L285-L305 HydrophobicContact CD2-CD2 4.48Å
286K84.8Confident82Confident115 Ų11573 Ų7350%0.540%0.398SS..  trans-75.7147.3-177.2-66-173177.5-176.80112.1T283T283-K286 PolarHBondContact O-N 3.15Å
287H83.4Confident81.8Confident26 Ų2671.8 Ų71.812%0.1238%0.383CS..  trans-146.2162.917260.292000111.6A106 H289 Q290 D297A106-H287 HydrophobicContact CB-CB 3.64Å; H287-H289 PolarHBondContact ND1-N 2.91Å; H287-H289 PolarHBondContact O-N 2.93Å; H287-Q290 PolarHBondContact CE1-N 3.35Å; H287-Q290 VanDerWaalsContact CE1-N 3.3Å; H287-Q290 PolarHBondContact ND1-N 3.23Å; H287-Q290 WeakPolarHBondContact O-CG 3.4Å; H287-Q290 PolarHBondContact O-N 3.49Å; H287-D297 IonicContact CE1-OD1 2.71Å; H287-D297 IonicContact CE1-OD2 3.62Å; H287-D297 IonicContact NE2-OD1 3.07Å; H287-D297 PolarHBondContact NE2-OD1 2.84Å; H287-D297 IonicContact NE2-OD2 3.14Å; H287-D297 PolarHBondContact NE2-OD2 3.08Å; H287-D297 VanDerWaalsContact NE2-OD2 3.14Å
288S83.1Confident81.7Confident111 Ų11170.5 Ų70.578%0.77637%0.373SS*.THydrogen-bonded Turntrans-61.6-11.4-173.752.60000115.6
289H79.6Confident81.6Confident78 Ų7869.3 Ų69.336%0.36137%0.367SS..THydrogen-bonded Turntrans-113.2-3.8-174-65-73.8000114.5W105 H287 D291 S292 I295W105-H289 HydrophobicContact CE3-CB 4.48Å; W105-H289 AromaticContact CZ3-CD2 3.52Å; H287-H289 PolarHBondContact ND1-N 2.91Å; H287-H289 PolarHBondContact O-N 2.93Å; H289-D291 VanDerWaalsContact C-N 3.27Å; H289-D291 PolarHBondContact O-N 2.99Å; H289-S292 VanDerWaalsContact O-CB 3.29Å; H289-S292 WeakPolarHBondContact O-CB 3.45Å; H289-S292 PolarHBondContact O-N 3.46Å; H289-S292 VanDerWaalsContact O-N 3.15Å; H289-S292 PolarHBondContact O-OG 3.06Å; H289-I295 HydrophobicContact CB-CD1 3.68Å
290Q73.9Confident81.8Confident41 Ų4162.1 Ų62.119%0.19234%0.341CS..THydrogen-bonded Turntrans-62.5-33.2-17472.2-173.919.800112.8H287H287-Q290 PolarHBondContact CE1-N 3.35Å; H287-Q290 VanDerWaalsContact CE1-N 3.3Å; H287-Q290 PolarHBondContact ND1-N 3.23Å; H287-Q290 WeakPolarHBondContact O-CG 3.4Å; H287-Q290 PolarHBondContact O-N 3.49Å
291D71.7Confident82.4Confident126 Ų12658.2 Ų58.267%0.67432%0.32SS*.THydrogen-bonded Turntrans-97.57.8-177.9-61-55.2000112.4H289 G293H289-D291 VanDerWaalsContact C-N 3.27Å; H289-D291 PolarHBondContact O-N 2.99Å; D291-G293 PolarHBondContact O-N 3.26Å
292S72.1Confident82.9Confident48 Ų4856 Ų5634%0.33631%0.308SS..SBendtrans-70.8-19-178.867.50000113.5H289 L294H289-S292 VanDerWaalsContact O-CB 3.29Å; H289-S292 WeakPolarHBondContact O-CB 3.45Å; H289-S292 PolarHBondContact O-N 3.46Å; H289-S292 VanDerWaalsContact O-N 3.15Å; H289-S292 PolarHBondContact O-OG 3.06Å; S292-L294 PolarHBondContact O-N 3.33Å; S292-L294 PolarHBondContact OG-N 3.43Å
293G70.1Confident83.4Confident63 Ų6358.5 Ų58.565%0.64932%0.319SS*.SBendtrans66.7-2.9-171.500000114.5D291D291-G293 PolarHBondContact O-N 3.26Å
294L69.9Low83.8Confident134 Ų13455.3 Ų55.370%0.70230%0.3SS*.SBendtrans-89.7-15.7-177.6-65.6173000113.1S292S292-L294 PolarHBondContact O-N 3.33Å; S292-L294 PolarHBondContact OG-N 3.43Å
295I75.4Confident84.3Confident32 Ų3249.7 Ų49.716%0.16428%0.282CS..SBendtrans-127.7140.6-166.9-73.6159.1000109.9W105 H289W105-I295 HydrophobicContact CB-CG2 3.3Å; W105-I295 HydrophobicContact CD2-CD1 3.85Å; W105-I295 HydrophobicContact CD2-CG2 4.46Å; W105-I295 HydrophobicContact CE3-CD1 4.36Å; W105-I295 HydrophobicContact CG-CD1 4Å; W105-I295 HydrophobicContact CG-CG1 4.26Å; W105-I295 HydrophobicContact CG-CG2 3.52Å; W105-I295 HydrophobicContact CZ2-CD1 4.41Å; H289-I295 HydrophobicContact CB-CD1 3.68Å
296T80.6Confident84.7Confident13 Ų1351 Ų518%0.0830%0.298CS..  trans-96.2111.5175.1-56.70000110T112 Y298 W301T112-T296 WeakPolarHBondContact CG2-O 3.21Å; T296-Y298 HydrophobicContact CG2-CD1 3.6Å; T296-Y298 HydrophobicContact CG2-CD2 4.42Å; T296-Y298 HydrophobicContact CG2-CE1 3.49Å; T296-Y298 VanDerWaalsContact CG2-CE1 3.49Å; T296-Y298 HydrophobicContact CG2-CE2 4.32Å; T296-Y298 HydrophobicContact CG2-CG 4.07Å; T296-Y298 PolarHBondContact O-N 2.92Å; T296-W301 HydrophobicContact CG2-CD2 4.21Å; T296-W301 HydrophobicContact CG2-CH2 4.48Å; T296-W301 HydrophobicContact CG2-CZ2 3.64Å
297D86.3Confident85.2Confident12 Ų1246 Ų466%0.06428%0.276CS..  trans-83.393.3168.3-79.4-46.4000110.3S104 W105 H287 R299 H300S104-D297 WeakPolarHBondContact CA-OD1 3.27Å; W105-D297 PolarHBondContact N-OD1 2.88Å; H287-D297 IonicContact CE1-OD1 2.71Å; H287-D297 IonicContact CE1-OD2 3.62Å; H287-D297 IonicContact NE2-OD1 3.07Å; H287-D297 PolarHBondContact NE2-OD1 2.84Å; H287-D297 IonicContact NE2-OD2 3.14Å; H287-D297 PolarHBondContact NE2-OD2 3.08Å; H287-D297 VanDerWaalsContact NE2-OD2 3.14Å; D297-R299 HydrophobicContact CB-CG 4.36Å; D297-R299 PolarHBondContact O-N 3.26Å; D297-H300 PolarHBondContact O-N 2.9Å
298Y92.8Very high85.8Confident0 Ų053.3 Ų53.30%030%0.302CS..G310 helixtrans-64.9-10.5-173.4-72.6-64.9000115.2T112 E115 T116 G142 V143 T296 H300 W301 R307T112-Y298 HydrophobicContact CG2-CD2 3.97Å; T112-Y298 HydrophobicContact CG2-CE2 3.93Å; E115-Y298 HydrophobicContact CB-CE2 3.94Å; E115-Y298 HydrophobicContact CG-CE2 3.99Å; T116-Y298 WeakPolarHBondContact CA-OH 3.47Å; T116-Y298 PolarHBondContact N-OH 2.87Å; T116-Y298 PolarHBondContact OG1-OH 3.43Å; G142-Y298 VanDerWaalsContact O-CE1 3.26Å; G142-Y298 WeakPolarHBondContact O-CE1 3.22Å; G142-Y298 PolarHBondContact O-OH 3.02Å; V143-Y298 HydrophobicContact CB-CD1 3.86Å; V143-Y298 HydrophobicContact CB-CE1 3.89Å; V143-Y298 HydrophobicContact CG2-CD1 3.55Å; V143-Y298 HydrophobicContact CG2-CE1 4.04Å; V143-Y298 HydrophobicContact CG2-CG 4.3Å; T296-Y298 HydrophobicContact CG2-CD1 3.6Å; T296-Y298 HydrophobicContact CG2-CD2 4.42Å; T296-Y298 HydrophobicContact CG2-CE1 3.49Å; T296-Y298 VanDerWaalsContact CG2-CE1 3.49Å; T296-Y298 HydrophobicContact CG2-CE2 4.32Å; T296-Y298 HydrophobicContact CG2-CG 4.07Å; T296-Y298 PolarHBondContact O-N 2.92Å; Y298-H300 PolarHBondContact O-N 3.3Å; Y298-W301 HydrophobicContact CD1-CB 4.24Å; Y298-W301 HydrophobicContact CD1-CD2 4.29Å; Y298-W301 HydrophobicContact CD1-CG 4.12Å; Y298-W301 PolarHBondContact O-N 3.12Å; Y298-R307 VanDerWaalsContact CB-NH1 3.28Å
299R91.4Very high86.5Confident10 Ų1048.9 Ų48.94%0.03827%0.269CS..G310 helixtrans-56.4-27167.560.7173.8-169.4-136.613.1112.9F103 D281 L285 D297 W301 L305F103-R299 WeakPolarHBondContact O-CB 3.16Å; F103-R299 VanDerWaalsContact O-CD 3.29Å; F103-R299 WeakPolarHBondContact O-CD 3.24Å; F103-R299 WeakPolarHBondContact O-CG 3.22Å; D281-R299 IonicContact OD1-NH2 3.7Å; D281-R299 PolarHBondContact OD1-NH2 2.83Å; L285-R299 PolarHBondContact O-NH1 3.44Å; D297-R299 HydrophobicContact CB-CG 4.36Å; D297-R299 PolarHBondContact O-N 3.26Å; R299-W301 VanDerWaalsContact C-N 3.28Å; R299-L305 HydrophobicContact CB-CD1 3.99Å
300H93.2Very high87.3Confident17 Ų1746.4 Ų46.48%0.07926%0.256CS..G310 helixtrans-88.56.5179.1-55.2-53.1000113.3L274 T275 F278 L280 D281 D297 Y298L274-H300 CarbonylContact C-O 3.58Å; T275-H300 HydrophobicContact CG2-CB 3.85Å; F278-H300 PolarHBondContact O-ND1 2.96Å; L280-H300 PolarHBondContact N-CE1 3.37Å; L280-H300 VanDerWaalsContact N-CE1 3.29Å; L280-H300 PolarHBondContact N-ND1 3Å; L280-H300 PolarHBondContact O-CE1 2.99Å; L280-H300 VanDerWaalsContact O-CE1 3.29Å; D281-H300 IonicContact OD1-CE1 3.9Å; D281-H300 PolarHBondContact OD1-CE1 3.28Å; D281-H300 IonicContact OD1-NE2 3.26Å; D281-H300 PolarHBondContact OD1-NE2 3Å; D297-H300 PolarHBondContact O-N 2.9Å; Y298-H300 PolarHBondContact O-N 3.3Å
301W95.4Very high88.5Confident6 Ų644.4 Ų44.42%0.02325%0.247CC..G310 helixtrans-119.74.4-175.1-67.859000112.2V143 Q145 V268 R271 L274 T296 Y298 R299V143-W301 HydrophobicContact CB-CB 4.29Å; V143-W301 HydrophobicContact CB-CE3 4.05Å; V143-W301 HydrophobicContact CG1-CB 4.35Å; V143-W301 HydrophobicContact CG1-CE3 4.09Å; V143-W301 HydrophobicContact CG2-CB 4.05Å; Q145-W301 PolarHBondContact NE2-O 3.16Å; V268-W301 HydrophobicContact CG2-CE3 4.21Å; V268-W301 HydrophobicContact CG2-CH2 4.18Å; V268-W301 HydrophobicContact CG2-CZ3 3.59Å; R271-W301 HydrophobicContact CB-CH2 3.47Å; R271-W301 VanDerWaalsContact CB-CH2 3.47Å; R271-W301 HydrophobicContact CB-CZ2 3.27Å; R271-W301 HydrophobicContact CG-CZ2 4.38Å; L274-W301 HydrophobicContact CD1-CB 4.1Å; L274-W301 HydrophobicContact CD1-CD2 3.91Å; L274-W301 HydrophobicContact CD1-CE3 3.52Å; L274-W301 HydrophobicContact CD1-CG 4.18Å; L274-W301 HydrophobicContact CD1-CZ3 4.26Å; T296-W301 HydrophobicContact CG2-CD2 4.21Å; T296-W301 HydrophobicContact CG2-CH2 4.48Å; T296-W301 HydrophobicContact CG2-CZ2 3.64Å; Y298-W301 HydrophobicContact CD1-CB 4.24Å; Y298-W301 HydrophobicContact CD1-CD2 4.29Å; Y298-W301 HydrophobicContact CD1-CG 4.12Å; Y298-W301 PolarHBondContact O-N 3.12Å; R299-W301 VanDerWaalsContact C-N 3.28Å
302Q95.3Very high89.8Confident2 Ų239 Ų391%0.00922%0.218CC..SBendtrans-148.1172.1-174.769.4173.422.200110.8Q145 P304 G306 R307Q145-Q302 VanDerWaalsContact OE1-CB 3.31Å; Q302-P304 HydrophobicContact CG-CG 4.39Å; Q302-P304 VanDerWaalsContact CG-O 3.25Å; Q302-P304 WeakPolarHBondContact CG-O 3.22Å; Q302-P304 PolarHBondContact NE2-O 3.24Å; Q302-G306 PolarHBondContact NE2-O 3.15Å; Q302-R307 VanDerWaalsContact CD-NE 3.32Å
303I96.4Very high91Very high87 Ų8736.7 Ų36.745%0.44620%0.202SC..SBendtrans-76.6-54.1178-59.4175.3000112.2E150 L153 V154E150-I303 HydrophobicContact CG-CD1 4.27Å; L153-I303 HydrophobicContact CD2-CD1 3.52Å; L153-I303 HydrophobicContact CG-CD1 3.95Å; V154-I303 HydrophobicContact CG2-CD1 4.32Å; V154-I303 HydrophobicContact CG2-CG1 3.89Å
304P95.5Very high92.4Very high52 Ų5233.7 Ų33.734%0.33817%0.171SC..SBendtrans-76.5156.4-177.629.4-34.4000112.4E150 Q302E150-P304 WeakPolarHBondContact OE1-CD 3.48Å; Q302-P304 HydrophobicContact CG-CG 4.39Å; Q302-P304 VanDerWaalsContact CG-O 3.25Å; Q302-P304 WeakPolarHBondContact CG-O 3.22Å; Q302-P304 PolarHBondContact NE2-O 3.24Å
305L93.6Very high93.8Very high62 Ų6231 Ų3133%0.32515%0.152SC..SBendtrans-72.9-56.7172177.763.7000111.4F103 L285 R299F103-L305 HydrophobicContact CB-CD1 3.89Å; F103-L305 HydrophobicContact CB-CG 4.01Å; F103-L305 VanDerWaalsContact CB-O 3.22Å; F103-L305 WeakPolarHBondContact CB-O 3.35Å; L285-L305 HydrophobicContact CD1-CD1 3.73Å; L285-L305 HydrophobicContact CD1-CD2 4.22Å; L285-L305 HydrophobicContact CD2-CD2 4.48Å; R299-L305 HydrophobicContact CB-CD1 3.99Å
306G93.4Very high94.9Very high37 Ų3731.7 Ų31.738%0.38115%0.154SC..  trans-72.6143.9-17800000112.3Q302Q302-G306 PolarHBondContact NE2-O 3.15Å
307R95.3Very high95.8Very high8 Ų831 Ų313%0.0315%0.15CC..  trans-143.6144.8174.442.7167.848.9-143.91111.8I101 G102 E115 Y298 Q302I101-R307 WeakPolarHBondContact CA-O 3.27Å; G102-R307 VanDerWaalsContact C-CG 3.47Å; G102-R307 PolarHBondContact N-O 3.44Å; G102-R307 WeakPolarHBondContact O-CD 3.37Å; G102-R307 WeakPolarHBondContact O-CG 3.27Å; E115-R307 IonicContact OE1-CZ 3.63Å; E115-R307 IonicContact OE1-NH1 3.22Å; E115-R307 PolarHBondContact OE1-NH1 3.28Å; E115-R307 IonicContact OE1-NH2 3.93Å; E115-R307 IonicContact OE2-NH1 3.39Å; E115-R307 PolarHBondContact OE2-NH1 3.24Å; E115-R307 VanDerWaalsContact OE2-NH1 3.07Å; Y298-R307 VanDerWaalsContact CB-NH1 3.28Å; Q302-R307 VanDerWaalsContact CD-NE 3.32Å
308R95.8Very high96.3Very high181 Ų18131.1 Ų31.168%0.68315%0.149SC*.  trans-81.4164.5177.6-65-178.4174.5-178.5-2.6110.8R310R308-R310 HydrophobicContact CB-CG 4.3Å; R308-R310 PolarHBondContact O-N 2.94Å
309F98.1Very high96.6Very high18 Ų1838.7 Ų38.78%0.07918%0.178CC..  trans-76.555.4175.8-159-8.9000113.2C95 I98 A110 C111 L114 S311 L312C95-F309 PolarHBondContact SG-O 3.15Å; C95-F309 VanDerWaalsContact SG-O 3.32Å; I98-F309 HydrophobicContact CD1-CD2 4.18Å; I98-F309 HydrophobicContact CD1-CE2 4.31Å; I98-F309 HydrophobicContact CG2-CD2 4.45Å; A110-F309 HydrophobicContact CB-CE2 4.33Å; A110-F309 HydrophobicContact CB-CZ 4.1Å; A110-F309 WeakPolarHBondContact O-CE1 3.5Å; A110-F309 WeakPolarHBondContact O-CZ 3.26Å; C111-F309 VanDerWaalsContact CA-CE1 3.49Å; C111-F309 HydrophobicContact CB-CD1 4.17Å; C111-F309 HydrophobicContact CB-CE1 4.42Å; C111-F309 HydrophobicContact CB-CG 4.26Å; L114-F309 HydrophobicContact CB-CE1 3.94Å; L114-F309 HydrophobicContact CB-CZ 4.3Å; L114-F309 HydrophobicContact CD2-CE1 3.62Å; L114-F309 HydrophobicContact CD2-CZ 3.84Å; L114-F309 HydrophobicContact CG-CE1 4.31Å; F309-S311 VanDerWaalsContact C-N 3.26Å; F309-S311 WeakPolarHBondContact CD1-OG 3.29Å; F309-S311 VanDerWaalsContact CE1-OG 3.28Å; F309-S311 WeakPolarHBondContact CE1-OG 3.18Å; F309-S311 PolarHBondContact O-N 3.39Å; F309-L312 HydrophobicContact CD1-CB 4.05Å; F309-L312 HydrophobicContact CD2-CD2 4.48Å; F309-L312 HydrophobicContact CE1-CB 4.24Å; F309-L312 HydrophobicContact CG-CB 4.23Å; F309-L312 WeakPolarHBondContact O-CB 3.04Å; F309-L312 PolarHBondContact O-N 2.97Å
310R98.2Very high97Very high25 Ų2543.9 Ų43.99%0.09420%0.204CC..THydrogen-bonded Turntrans-61.3-29.8-173.2-62.4-178.1179.4117.8-3.7114.1I144 D262 R308 L312 K313I144-R310 HydrophobicContact CB-CB 4.37Å; I144-R310 HydrophobicContact CD1-CB 4.22Å; I144-R310 HydrophobicContact CG2-CB 3.84Å; I144-R310 HydrophobicContact CG2-CG 4.38Å; I144-R310 PolarHBondContact O-NH1 3.19Å; I144-R310 VanDerWaalsContact O-NH1 3.1Å; D262-R310 IonicContact OD2-CZ 3.04Å; D262-R310 VanDerWaalsContact OD2-CZ 3.31Å; D262-R310 IonicContact OD2-NE 3.25Å; D262-R310 PolarHBondContact OD2-NE 3.44Å; D262-R310 IonicContact OD2-NH2 2.73Å; D262-R310 PolarHBondContact OD2-NH2 3.24Å; R308-R310 HydrophobicContact CB-CG 4.3Å; R308-R310 PolarHBondContact O-N 2.94Å; R310-L312 PolarHBondContact O-N 2.79Å; R310-K313 WeakPolarHBondContact O-CG 3.36Å; R310-K313 PolarHBondContact O-N 2.95Å
311S98.4Very high97.2Very high0 Ų046.4 Ų46.40%021%0.214CC..Hα-helixtrans-65.4-21.1-179.7550000113.2E115 F309 M314 W315E115-S311 VanDerWaalsContact CA-CB 3.41Å; E115-S311 PolarHBondContact N-OG 3.05Å; F309-S311 VanDerWaalsContact C-N 3.26Å; F309-S311 WeakPolarHBondContact CD1-OG 3.29Å; F309-S311 VanDerWaalsContact CE1-OG 3.28Å; F309-S311 WeakPolarHBondContact CE1-OG 3.18Å; F309-S311 PolarHBondContact O-N 3.39Å; S311-M314 PolarHBondContact O-N 2.84Å; S311-W315 WeakPolarHBondContact O-CB 3.45Å; S311-W315 PolarHBondContact O-N 2.83Å
312L98.6Very high97.4Very high11 Ų1147.4 Ų47.46%0.05823%0.225CC..Hα-helixtrans-64.1-43.7179.6-169.662.6000112.3A91 L94 I98 L114 F309 R310 W315 F316A91-L312 HydrophobicContact CB-CG 4.42Å; L94-L312 HydrophobicContact CB-CD2 4.24Å; L94-L312 HydrophobicContact CD2-CD2 3.95Å; L94-L312 HydrophobicContact CG-CD2 3.95Å; I98-L312 HydrophobicContact CD1-CD2 4.11Å; L114-L312 HydrophobicContact CD2-CD1 4.03Å; F309-L312 HydrophobicContact CD1-CB 4.05Å; F309-L312 HydrophobicContact CD2-CD2 4.48Å; F309-L312 HydrophobicContact CE1-CB 4.24Å; F309-L312 HydrophobicContact CG-CB 4.23Å; F309-L312 WeakPolarHBondContact O-CB 3.04Å; F309-L312 PolarHBondContact O-N 2.97Å; R310-L312 PolarHBondContact O-N 2.79Å; L312-W315 HydrophobicContact CD1-CE3 4.1Å; L312-W315 WeakPolarHBondContact O-CB 3.43Å; L312-W315 PolarHBondContact O-N 3.29Å; L312-F316 HydrophobicContact CD1-CD1 4.26Å; L312-F316 HydrophobicContact CD1-CE1 3.92Å; L312-F316 HydrophobicContact CG-CD1 4.32Å; L312-F316 HydrophobicContact CG-CE1 4.15Å; L312-F316 WeakPolarHBondContact O-CD1 3.18Å; L312-F316 PolarHBondContact O-N 3.15Å
313K98.3Very high97.6Very high1 Ų150.3 Ų50.30%0.00424%0.243CC..Hα-helixtrans-68.6-35.3176.856.3172.8166.4-166.40113.4A88 A91 D92 V259 N260 D262 R310 W315 F316 V317A88-K313 HydrophobicContact CB-CB 4.36Å; A91-K313 HydrophobicContact CB-CB 3.69Å; D92-K313 WeakPolarHBondContact OD1-CD 3.39Å; D92-K313 IonicContact OD1-NZ 2.85Å; D92-K313 IonicContact OD2-NZ 3.68Å; D92-K313 PolarHBondContact OD2-NZ 2.97Å; V259-K313 HydrophobicContact CG1-CB 4.39Å; V259-K313 HydrophobicContact CG1-CD 3.57Å; V259-K313 HydrophobicContact CG1-CG 3.75Å; N260-K313 WeakPolarHBondContact O-CE 3.27Å; N260-K313 PolarHBondContact O-NZ 2.67Å; N260-K313 WeakPolarHBondContact OD1-CD 3.47Å; D262-K313 WeakPolarHBondContact O-CE 3.23Å; D262-K313 PolarHBondContact O-NZ 3.39Å; R310-K313 WeakPolarHBondContact O-CG 3.36Å; R310-K313 PolarHBondContact O-N 2.95Å; K313-W315 VanDerWaalsContact C-N 3.32Å; K313-W315 PolarHBondContact O-N 2.82Å; K313-F316 PolarHBondContact O-N 2.8Å; K313-V317 WeakPolarHBondContact O-CB 3.34Å; K313-V317 VanDerWaalsContact O-CG2 3.27Å; K313-V317 WeakPolarHBondContact O-CG2 3.44Å; K313-V317 PolarHBondContact O-N 2.92Å
314M98.5Very high97.7Very high0 Ų054.8 Ų54.80%026%0.259CS..Hα-helixtrans-60.8-44.5170.4-72.9179.363.500111M118 L122 I144 V259 S311 F316 V317 F318M118-M314 HydrophobicContact CB-CE 4.28Å; M118-M314 HydrophobicContact CG-CB 4.35Å; L122-M314 HydrophobicContact CB-CE 4.37Å; L122-M314 HydrophobicContact CD2-CE 3.53Å; I144-M314 HydrophobicContact CD1-SD 3.44Å; I144-M314 WeakPolarHBondContact CD1-SD 3.36Å; I144-M314 HydrophobicContact CG1-SD 4.01Å; V259-M314 HydrophobicContact CG1-CG 4.25Å; V259-M314 HydrophobicContact CG2-CG 4.11Å; S311-M314 PolarHBondContact O-N 2.84Å; M314-F316 PolarHBondContact O-N 3.11Å; M314-V317 PolarHBondContact O-N 3.3Å; M314-F318 HydrophobicContact CB-CE2 4.36Å; M314-F318 HydrophobicContact CB-CZ 4.42Å; M314-F318 HydrophobicContact CE-CE2 3.66Å; M314-F318 HydrophobicContact CE-CZ 3.58Å; M314-F318 WeakPolarHBondContact O-CB 3.43Å; M314-F318 WeakPolarHBondContact O-CD1 3.46Å; M314-F318 WeakPolarHBondContact O-CG 3.42Å; M314-F318 PolarHBondContact O-N 3.33Å
315W98.8Very high97.8Very high77 Ų7753.6 Ų53.629%0.29226%0.257SS..Hα-helixtrans-61.2-44.4179.5-174.466.6000112.8L114 M118 S311 L312 K313 R319L114-W315 HydrophobicContact CD1-CB 4.25Å; L114-W315 HydrophobicContact CD1-CD2 4.41Å; L114-W315 HydrophobicContact CD1-CG 3.91Å; L114-W315 HydrophobicContact CD2-CB 4.09Å; L114-W315 HydrophobicContact CD2-CG 4.28Å; L114-W315 HydrophobicContact CG-CB 4.47Å; M118-W315 HydrophobicContact CE-CG 4.43Å; M118-W315 HydrophobicContact CG-CB 4.23Å; M118-W315 WeakPolarHBondContact SD-CA 3.21Å; M118-W315 HydrophobicContact SD-CB 3.65Å; M118-W315 HydrophobicContact SD-CG 4.09Å; S311-W315 WeakPolarHBondContact O-CB 3.45Å; S311-W315 PolarHBondContact O-N 2.83Å; L312-W315 HydrophobicContact CD1-CE3 4.1Å; L312-W315 WeakPolarHBondContact O-CB 3.43Å; L312-W315 PolarHBondContact O-N 3.29Å; K313-W315 VanDerWaalsContact C-N 3.32Å; K313-W315 PolarHBondContact O-N 2.82Å; W315-R319 VanDerWaalsContact CE2-CD 3.43Å; W315-R319 VanDerWaalsContact CH2-NH1 3.34Å; W315-R319 WeakPolarHBondContact O-CB 3.44Å; W315-R319 VanDerWaalsContact O-CG 3.29Å; W315-R319 WeakPolarHBondContact O-CG 3.39Å; W315-R319 PolarHBondContact O-N 2.93Å; W315-R319 VanDerWaalsContact O-N 3.07Å
316F98.8Very high98.1Very high46 Ų4650.7 Ų50.720%0.20224%0.241CC..Hα-helixtrans-60.1-51.2174.3-89.663.2000111.5P87 A91 L94 L312 K313 M314 F318 R319 M320P87-F316 HydrophobicContact CB-CB 4.25Å; A91-F316 HydrophobicContact CB-CB 3.95Å; A91-F316 HydrophobicContact CB-CD1 3.82Å; A91-F316 HydrophobicContact CB-CD2 4.16Å; A91-F316 HydrophobicContact CB-CE1 4.34Å; A91-F316 HydrophobicContact CB-CG 3.72Å; L94-F316 HydrophobicContact CD2-CZ 4.3Å; L312-F316 HydrophobicContact CD1-CD1 4.26Å; L312-F316 HydrophobicContact CD1-CE1 3.92Å; L312-F316 HydrophobicContact CG-CD1 4.32Å; L312-F316 HydrophobicContact CG-CE1 4.15Å; L312-F316 WeakPolarHBondContact O-CD1 3.18Å; L312-F316 PolarHBondContact O-N 3.15Å; K313-F316 PolarHBondContact O-N 2.8Å; M314-F316 PolarHBondContact O-N 3.11Å; F316-F318 PolarHBondContact O-N 3.3Å; F316-R319 PolarHBondContact O-N 3.47Å; F316-M320 HydrophobicContact CD2-SD 4.1Å; F316-M320 VanDerWaalsContact O-CB 3.27Å; F316-M320 WeakPolarHBondContact O-CB 3.22Å; F316-M320 VanDerWaalsContact O-CG 3.25Å; F316-M320 WeakPolarHBondContact O-CG 3.08Å; F316-M320 PolarHBondContact O-N 3.18Å
317V98.8Very high98.3Very high0 Ų050.3 Ų50.30%023%0.23CC..Hα-helixtrans-58.7-50.1-179.2170.20000111P87 A88 L258 V259 K313 M314 R319 M320 Y321 L326P87-V317 HydrophobicContact CB-CG2 4.28Å; A88-V317 HydrophobicContact CB-CG2 3.7Å; L258-V317 HydrophobicContact CB-CG1 4.22Å; V259-V317 HydrophobicContact CG2-CB 4.15Å; V259-V317 HydrophobicContact CG2-CG1 4.11Å; V259-V317 HydrophobicContact CG2-CG2 4.08Å; K313-V317 WeakPolarHBondContact O-CB 3.34Å; K313-V317 VanDerWaalsContact O-CG2 3.27Å; K313-V317 WeakPolarHBondContact O-CG2 3.44Å; K313-V317 PolarHBondContact O-N 2.92Å; M314-V317 PolarHBondContact O-N 3.3Å; V317-R319 VanDerWaalsContact C-N 3.34Å; V317-R319 PolarHBondContact O-N 3.29Å; V317-M320 PolarHBondContact O-N 3.04Å; V317-Y321 HydrophobicContact CB-CD2 4.49Å; V317-Y321 HydrophobicContact CG1-CD2 3.88Å; V317-Y321 HydrophobicContact CG1-CE2 4.42Å; V317-Y321 WeakPolarHBondContact O-CB 3.44Å; V317-Y321 WeakPolarHBondContact O-CD2 3.14Å; V317-Y321 PolarHBondContact O-N 3.29Å; V317-L326 HydrophobicContact CG1-CD2 4.03Å
318F98.6Very high98.5Very high13 Ų1352.5 Ų52.56%0.05725%0.249CC..Hα-helixtrans-64.2-38.6-176.8-66.8-5000112.3M118 W121 L122 L257 M314 F316 G322 L326M118-F318 HydrophobicContact SD-CD2 4.05Å; W121-F318 HydrophobicContact CE3-CD2 4.46Å; L122-F318 HydrophobicContact CB-CE2 4.09Å; L122-F318 HydrophobicContact CB-CZ 4.28Å; L122-F318 HydrophobicContact CD1-CE2 4.29Å; L122-F318 HydrophobicContact CD1-CZ 3.75Å; L122-F318 HydrophobicContact CD2-CZ 4.18Å; L122-F318 HydrophobicContact CG-CZ 4.3Å; L257-F318 HydrophobicContact CD2-CE1 3.79Å; L257-F318 HydrophobicContact CD2-CZ 4.09Å; L257-F318 HydrophobicContact CG-CE1 4.36Å; M314-F318 HydrophobicContact CB-CE2 4.36Å; M314-F318 HydrophobicContact CB-CZ 4.42Å; M314-F318 HydrophobicContact CE-CE2 3.66Å; M314-F318 HydrophobicContact CE-CZ 3.58Å; M314-F318 WeakPolarHBondContact O-CB 3.43Å; M314-F318 WeakPolarHBondContact O-CD1 3.46Å; M314-F318 WeakPolarHBondContact O-CG 3.42Å; M314-F318 PolarHBondContact O-N 3.33Å; F316-F318 PolarHBondContact O-N 3.3Å; F318-G322 WeakPolarHBondContact O-CA 3.16Å; F318-G322 PolarHBondContact O-N 3.02Å; F318-L326 HydrophobicContact CD1-CD1 3.81Å; F318-L326 HydrophobicContact CE1-CD1 4.2Å
319R98.8Very high98.6Very high159 Ų15944.9 Ų44.960%0.622%0.221SC*.Hα-helixtrans-76.3-36.8179.5-69.4-168.970.4-164.82.8113.4W121 W315 F316 V317W121-R319 HydrophobicContact CZ3-CG 4.19Å; W315-R319 VanDerWaalsContact CE2-CD 3.43Å; W315-R319 VanDerWaalsContact CH2-NH1 3.34Å; W315-R319 WeakPolarHBondContact O-CB 3.44Å; W315-R319 VanDerWaalsContact O-CG 3.29Å; W315-R319 WeakPolarHBondContact O-CG 3.39Å; W315-R319 PolarHBondContact O-N 2.93Å; W315-R319 VanDerWaalsContact O-N 3.07Å; F316-R319 PolarHBondContact O-N 3.47Å; V317-R319 VanDerWaalsContact C-N 3.34Å; V317-R319 PolarHBondContact O-N 3.29Å
320M98.7Very high98.7Very high120 Ų12044 Ų4459%0.59122%0.217SC*.Hα-helixtrans-83.1-33.6-175.3-66.4-176.273.400112.9P87 F316 V317P87-M320 HydrophobicContact CB-CB 4.29Å; P87-M320 HydrophobicContact CB-CG 4.46Å; P87-M320 HydrophobicContact CB-SD 3.62Å; P87-M320 HydrophobicContact CG-CB 4Å; P87-M320 HydrophobicContact CG-CE 4.07Å; P87-M320 HydrophobicContact CG-CG 4.49Å; P87-M320 HydrophobicContact CG-SD 3.75Å; F316-M320 HydrophobicContact CD2-SD 4.1Å; F316-M320 VanDerWaalsContact O-CB 3.27Å; F316-M320 WeakPolarHBondContact O-CB 3.22Å; F316-M320 VanDerWaalsContact O-CG 3.25Å; F316-M320 WeakPolarHBondContact O-CG 3.08Å; F316-M320 PolarHBondContact O-N 3.18Å; V317-M320 PolarHBondContact O-N 3.04Å
321Y98.7Very high98.7Very high70 Ų7047.1 Ų47.128%0.27523%0.229SC..Hα-helixtrans-89.5-34174.3-73.1-72.6000113S85 P87 L258 V317 G325 L326S85-Y321 VanDerWaalsContact CB-OH 3.3Å; S85-Y321 WeakPolarHBondContact CB-OH 3.27Å; P87-Y321 HydrophobicContact CG-CD2 4.45Å; P87-Y321 HydrophobicContact CG-CE2 3.8Å; L258-Y321 HydrophobicContact CB-CE2 4.35Å; L258-Y321 HydrophobicContact CD1-CD1 4.32Å; L258-Y321 HydrophobicContact CD1-CD2 4.29Å; L258-Y321 HydrophobicContact CD1-CE1 4.03Å; L258-Y321 HydrophobicContact CD1-CE2 3.97Å; L258-Y321 HydrophobicContact CD1-CG 4.45Å; V317-Y321 HydrophobicContact CB-CD2 4.49Å; V317-Y321 HydrophobicContact CG1-CD2 3.88Å; V317-Y321 HydrophobicContact CG1-CE2 4.42Å; V317-Y321 WeakPolarHBondContact O-CB 3.44Å; V317-Y321 WeakPolarHBondContact O-CD2 3.14Å; V317-Y321 PolarHBondContact O-N 3.29Å; Y321-G325 PolarHBondContact O-N 3.04Å; Y321-L326 HydrophobicContact CD2-CD2 4.42Å; Y321-L326 HydrophobicContact CG-CD2 4.32Å
322G98.7Very high98.7Very high26 Ų2649.6 Ų49.627%0.26824%0.24SC..Hα-helixtrans66.4162.9-167.700000112.8F318 K324 G325 L326F318-G322 WeakPolarHBondContact O-CA 3.16Å; F318-G322 PolarHBondContact O-N 3.02Å; G322-K324 VanDerWaalsContact C-N 3.29Å; G322-K324 PolarHBondContact O-N 2.97Å; G322-G325 PolarHBondContact O-N 3.1Å; G322-L326 WeakPolarHBondContact O-CG 3.49Å; G322-L326 PolarHBondContact O-N 3.15Å; G322-L326 VanDerWaalsContact O-N 3.13Å
323V98.7Very high98.7Very high63 Ų6349.1 Ų49.138%0.38224%0.237SC..Hα-helixtrans-57.9-42179.9179.90000111.6M125 G325 L326 Q327M125-V323 HydrophobicContact CE-CB 4.43Å; M125-V323 HydrophobicContact CE-CG1 4.21Å; M125-V323 HydrophobicContact CE-CG2 3.94Å; M125-V323 HydrophobicContact CG-CG2 3.98Å; M125-V323 HydrophobicContact SD-CG2 3.95Å; V323-G325 PolarHBondContact O-N 2.74Å; V323-L326 PolarHBondContact O-N 2.82Å; V323-Q327 HydrophobicContact CG1-CG 4.23Å; V323-Q327 WeakPolarHBondContact O-CB 3.45Å; V323-Q327 VanDerWaalsContact O-CG 3.28Å; V323-Q327 WeakPolarHBondContact O-CG 3.27Å; V323-Q327 PolarHBondContact O-N 2.94Å
324K98.8Very high98.8Very high181 Ų18149.5 Ų49.579%0.78724%0.239SC*.Hα-helixtrans-62.1-40.4179.1-69.6-177.5176.8-179.70112.6G322 A328G322-K324 VanDerWaalsContact C-N 3.29Å; G322-K324 PolarHBondContact O-N 2.97Å; K324-A328 WeakPolarHBondContact O-CB 3.41Å; K324-A328 PolarHBondContact O-N 3.32Å
325G98.8Very high98.8Very high28 Ų2855.9 Ų55.929%0.28927%0.269SS..Hα-helixtrans-67.1-42.5177.700000112.1Y321 G322 V323 A328 Y329Y321-G325 PolarHBondContact O-N 3.04Å; G322-G325 PolarHBondContact O-N 3.1Å; V323-G325 PolarHBondContact O-N 2.74Å; G325-A328 PolarHBondContact O-N 3.32Å; G325-Y329 PolarHBondContact O-N 3.46Å
326L98.9Very high98.8Very high0 Ų052.6 Ų52.60%026%0.257CS..Hα-helixtrans-64.8-42.2175.6-63.9171.1000112M125 I232 L257 L258 V317 F318 Y321 G322 V323 Y329 I330M125-L326 HydrophobicContact CE-CD1 4.03Å; I232-L326 HydrophobicContact CD1-CB 3.7Å; L257-L326 HydrophobicContact CD1-CB 4.3Å; L257-L326 HydrophobicContact CD1-CD1 4.34Å; L257-L326 HydrophobicContact CD1-CD2 4.39Å; L258-L326 HydrophobicContact CB-CD2 4.41Å; L258-L326 HydrophobicContact CD1-CD2 4.17Å; L258-L326 HydrophobicContact CG-CD2 4.46Å; V317-L326 HydrophobicContact CG1-CD2 4.03Å; F318-L326 HydrophobicContact CD1-CD1 3.81Å; F318-L326 HydrophobicContact CE1-CD1 4.2Å; Y321-L326 HydrophobicContact CD2-CD2 4.42Å; Y321-L326 HydrophobicContact CG-CD2 4.32Å; G322-L326 WeakPolarHBondContact O-CG 3.49Å; G322-L326 PolarHBondContact O-N 3.15Å; G322-L326 VanDerWaalsContact O-N 3.13Å; V323-L326 PolarHBondContact O-N 2.82Å; L326-Y329 WeakPolarHBondContact O-CB 3.4Å; L326-Y329 PolarHBondContact O-N 3.35Å; L326-I330 WeakPolarHBondContact O-CG1 3.3Å; L326-I330 PolarHBondContact O-N 3.45Å; L326-I330 VanDerWaalsContact O-N 3.15Å
327Q98.9Very high98.8Very high30 Ų3050.4 Ų50.414%0.1425%0.248CC..Hα-helixtrans-62.2-43.6174-72.8173.7-14.800111.8I232 V323 Y329 I330 R331I232-Q327 HydrophobicContact CD1-CG 4.22Å; I232-Q327 HydrophobicContact CG1-CG 3.94Å; I232-Q327 PolarHBondContact O-NE2 2.85Å; V323-Q327 HydrophobicContact CG1-CG 4.23Å; V323-Q327 WeakPolarHBondContact O-CB 3.45Å; V323-Q327 VanDerWaalsContact O-CG 3.28Å; V323-Q327 WeakPolarHBondContact O-CG 3.27Å; V323-Q327 PolarHBondContact O-N 2.94Å; Q327-Y329 VanDerWaalsContact C-N 3.32Å; Q327-Y329 PolarHBondContact O-N 2.97Å; Q327-I330 PolarHBondContact O-N 3.12Å; Q327-R331 WeakPolarHBondContact O-CB 3.47Å; Q327-R331 VanDerWaalsContact O-CG 3.26Å; Q327-R331 WeakPolarHBondContact O-CG 3.46Å; Q327-R331 PolarHBondContact O-N 3.26Å
328A98.8Very high98.8Very high53 Ų5354 Ų5444%0.43826%0.264SS..Hα-helixtrans-62.3-39.6177.400000112.1K324 G325 R331 K332K324-A328 WeakPolarHBondContact O-CB 3.41Å; K324-A328 PolarHBondContact O-N 3.32Å; G325-A328 PolarHBondContact O-N 3.32Å; A328-R331 PolarHBondContact O-N 3.49Å; A328-K332 WeakPolarHBondContact O-CB 3.34Å; A328-K332 PolarHBondContact O-N 3.41Å
329Y98.8Very high98.8Very high22 Ų2255.5 Ų55.59%0.08627%0.271CS..Hα-helixtrans-58-48.9174.1166.3-105.6000112.2W256 L258 G325 L326 Q327 K332 H333 R405W256-Y329 AromaticContact CD1-CE1 3.73Å; W256-Y329 AromaticContact CD1-CZ 3.95Å; L258-Y329 HydrophobicContact CD1-CD1 4.21Å; L258-Y329 HydrophobicContact CD1-CD2 4.25Å; L258-Y329 HydrophobicContact CD1-CG 4.02Å; L258-Y329 HydrophobicContact CD2-CD1 4.18Å; L258-Y329 HydrophobicContact CD2-CD2 4.09Å; L258-Y329 HydrophobicContact CD2-CE1 3.76Å; L258-Y329 HydrophobicContact CD2-CE2 3.66Å; L258-Y329 HydrophobicContact CD2-CG 4.33Å; L258-Y329 VanDerWaalsContact CD2-CZ 3.49Å; L258-Y329 HydrophobicContact CG-CD1 3.94Å; L258-Y329 HydrophobicContact CG-CD2 4.43Å; L258-Y329 HydrophobicContact CG-CE1 3.91Å; L258-Y329 HydrophobicContact CG-CE2 4.4Å; L258-Y329 HydrophobicContact CG-CG 4.2Å; G325-Y329 PolarHBondContact O-N 3.46Å; L326-Y329 WeakPolarHBondContact O-CB 3.4Å; L326-Y329 PolarHBondContact O-N 3.35Å; Q327-Y329 VanDerWaalsContact C-N 3.32Å; Q327-Y329 PolarHBondContact O-N 2.97Å; Y329-K332 PolarHBondContact O-N 2.93Å; Y329-H333 AromaticContact CD2-NE2 3.76Å; Y329-H333 AromaticContact CE2-CD2 3.65Å; Y329-H333 AromaticContact CE2-CE1 3.63Å; Y329-H333 AromaticContact CE2-NE2 3.01Å; Y329-H333 WeakPolarHBondContact CE2-NE2 3.43Å; Y329-H333 AromaticContact CZ-CE1 3.63Å; Y329-H333 AromaticContact CZ-NE2 3.5Å; Y329-H333 PolarHBondContact O-CD2 2.67Å; Y329-H333 VanDerWaalsContact O-CD2 3.28Å; Y329-H333 PolarHBondContact O-N 3.32Å; Y329-H333 PolarHBondContact OH-CE1 3.45Å; Y329-H333 VanDerWaalsContact OH-CE1 3.26Å; Y329-R405 HydrophobicContact CE2-CB 4.3Å; Y329-R405 HydrophobicContact CE2-CG 4.17Å
330I98.9Very high98.8Very high0 Ų047.9 Ų47.90%024%0.243CC..Hα-helixtrans-64-48.3178.6-65.9172.4000110.7S229 A230 I232 F236 W256 L257 L326 Q327 K332 H333 V334S229-I330 WeakPolarHBondContact O-CD1 3.32Å; A230-I330 HydrophobicContact CB-CG2 4.18Å; I232-I330 HydrophobicContact CD1-CD1 3.68Å; I232-I330 HydrophobicContact CG1-CD1 3.85Å; F236-I330 HydrophobicContact CE2-CG2 4.29Å; W256-I330 HydrophobicContact CH2-CG2 4.06Å; W256-I330 HydrophobicContact CZ2-CG2 4.34Å; W256-I330 HydrophobicContact CZ3-CG2 4.29Å; L257-I330 HydrophobicContact CD1-CD1 4.37Å; L326-I330 WeakPolarHBondContact O-CG1 3.3Å; L326-I330 PolarHBondContact O-N 3.45Å; L326-I330 VanDerWaalsContact O-N 3.15Å; Q327-I330 PolarHBondContact O-N 3.12Å; I330-K332 VanDerWaalsContact C-N 3.28Å; I330-K332 PolarHBondContact O-N 3.07Å; I330-H333 PolarHBondContact O-N 3.48Å; I330-H333 VanDerWaalsContact O-N 3.07Å; I330-V334 HydrophobicContact CG2-CG2 4.45Å; I330-V334 WeakPolarHBondContact O-CG2 3.49Å; I330-V334 PolarHBondContact O-N 2.94Å
331R98.9Very high98.8Very high89 Ų8943.4 Ų43.434%0.33622%0.221SC..Hα-helixtrans-56.3-42.3178.1-73.9166.9176.7140.67.4112.1E235 Q327 A328 H333 V334 Q335E235-R331 WeakPolarHBondContact OE1-CG 3.39Å; E235-R331 IonicContact OE1-CZ 2.68Å; E235-R331 VanDerWaalsContact OE1-CZ 3.32Å; E235-R331 IonicContact OE1-NE 3.76Å; E235-R331 PolarHBondContact OE1-NE 3.03Å; E235-R331 IonicContact OE1-NH2 3.81Å; E235-R331 PolarHBondContact OE1-NH2 2.92Å; E235-R331 VanDerWaalsContact OE1-NH2 3.11Å; E235-R331 IonicContact OE2-CZ 3.74Å; E235-R331 IonicContact OE2-NE 2.72Å; E235-R331 IonicContact OE2-NH2 2.86Å; E235-R331 PolarHBondContact OE2-NH2 2.87Å; Q327-R331 WeakPolarHBondContact O-CB 3.47Å; Q327-R331 VanDerWaalsContact O-CG 3.26Å; Q327-R331 WeakPolarHBondContact O-CG 3.46Å; Q327-R331 PolarHBondContact O-N 3.26Å; A328-R331 PolarHBondContact O-N 3.49Å; R331-H333 PolarHBondContact O-N 3.5Å; R331-V334 PolarHBondContact O-N 3.39Å; R331-Q335 WeakPolarHBondContact O-CB 3.39Å; R331-Q335 PolarHBondContact O-N 2.94Å
332K98.8Very high98.8Very high53 Ų5342.8 Ų42.823%0.2323%0.226CC..Hα-helixtrans-59.4-46.2175.5179.4-176.3170.7-168.10111.3A328 Y329 I330 V334 Q335 L336 V407 E408A328-K332 WeakPolarHBondContact O-CB 3.34Å; A328-K332 PolarHBondContact O-N 3.41Å; Y329-K332 PolarHBondContact O-N 2.93Å; I330-K332 VanDerWaalsContact C-N 3.28Å; I330-K332 PolarHBondContact O-N 3.07Å; K332-V334 PolarHBondContact O-N 3.45Å; K332-Q335 WeakPolarHBondContact O-CB 3.37Å; K332-Q335 PolarHBondContact O-N 3.34Å; K332-L336 HydrophobicContact CG-CD1 4.18Å; K332-L336 VanDerWaalsContact O-CG 3.31Å; K332-L336 WeakPolarHBondContact O-CG 3.38Å; K332-L336 PolarHBondContact O-N 3.26Å; K332-V407 WeakPolarHBondContact CE-O 3.23Å; K332-V407 PolarHBondContact NZ-O 2.97Å; K332-E408 WeakPolarHBondContact CE-OE2 3.41Å; K332-E408 IonicContact NZ-OE1 2.88Å; K332-E408 PolarHBondContact NZ-OE1 3.18Å; K332-E408 IonicContact NZ-OE2 2.66Å; K332-E408 PolarHBondContact NZ-OE2 3.16Å
333H98.9Very high98.9Very high0 Ų043 Ų430%022%0.221CC..Hα-helixtrans-63.6-41.4178.7-79.2-133.4000112W256 Y329 I330 R331 L336 S337 I402 C403 S404W256-H333 AromaticContact CD1-ND1 3.98Å; W256-H333 HydrophobicContact CZ2-CB 3.52Å; W256-H333 AromaticContact NE1-CE1 3.88Å; W256-H333 AromaticContact NE1-CG 3.51Å; W256-H333 AromaticContact NE1-ND1 3.08Å; W256-H333 PolarHBondContact NE1-ND1 2.63Å; Y329-H333 AromaticContact CD2-NE2 3.76Å; Y329-H333 AromaticContact CE2-CD2 3.65Å; Y329-H333 AromaticContact CE2-CE1 3.63Å; Y329-H333 AromaticContact CE2-NE2 3.01Å; Y329-H333 WeakPolarHBondContact CE2-NE2 3.43Å; Y329-H333 AromaticContact CZ-CE1 3.63Å; Y329-H333 AromaticContact CZ-NE2 3.5Å; Y329-H333 PolarHBondContact O-CD2 2.67Å; Y329-H333 VanDerWaalsContact O-CD2 3.28Å; Y329-H333 PolarHBondContact O-N 3.32Å; Y329-H333 PolarHBondContact OH-CE1 3.45Å; Y329-H333 VanDerWaalsContact OH-CE1 3.26Å; I330-H333 PolarHBondContact O-N 3.48Å; I330-H333 VanDerWaalsContact O-N 3.07Å; R331-H333 PolarHBondContact O-N 3.5Å; H333-L336 PolarHBondContact O-N 3.05Å; H333-S337 PolarHBondContact O-N 3.13Å; H333-S337 PolarHBondContact O-OG 2.97Å; H333-I402 HydrophobicContact CB-CB 4.33Å; H333-I402 HydrophobicContact CB-CG2 3.98Å; H333-I402 PolarHBondContact ND1-O 3.24Å; H333-C403 PolarHBondContact CE1-O 3.34Å; H333-S404 PolarHBondContact CE1-O 3.01Å; H333-S404 VanDerWaalsContact CE1-O 3.3Å; H333-S404 PolarHBondContact NE2-O 2.93Å
334V98.9Very high98.9Very high9 Ų940 Ų406%0.05520%0.203CC..Hα-helixtrans-65-39.3176178.20000111.6F236 W256 I330 R331 K332 L336 S337 H338 L358F236-V334 HydrophobicContact CE1-CG1 4.28Å; F236-V334 HydrophobicContact CE2-CG2 4.11Å; F236-V334 HydrophobicContact CZ-CB 4.14Å; F236-V334 HydrophobicContact CZ-CG1 3.86Å; F236-V334 HydrophobicContact CZ-CG2 3.87Å; W256-V334 HydrophobicContact CH2-CG2 3.83Å; W256-V334 HydrophobicContact CZ2-CG2 4.33Å; I330-V334 HydrophobicContact CG2-CG2 4.45Å; I330-V334 WeakPolarHBondContact O-CG2 3.49Å; I330-V334 PolarHBondContact O-N 2.94Å; R331-V334 PolarHBondContact O-N 3.39Å; K332-V334 PolarHBondContact O-N 3.45Å; V334-L336 PolarHBondContact O-N 3.38Å; V334-S337 WeakPolarHBondContact CA-OG 3.41Å; V334-S337 PolarHBondContact O-N 2.89Å; V334-S337 PolarHBondContact O-OG 3.24Å; V334-H338 PolarHBondContact O-CD2 3.45Å; V334-H338 PolarHBondContact O-N 2.94Å; V334-H338 VanDerWaalsContact O-N 3.13Å; V334-L358 HydrophobicContact CG2-CD2 4.1Å
335Q98.9Very high98.9Very high135 Ų13538.5 Ų38.563%0.63119%0.193SC*.Hα-helixtrans-60.7-45.6173.9-179.8-176-8.900111.4R331 K332 S337 H338 E339R331-Q335 WeakPolarHBondContact O-CB 3.39Å; R331-Q335 PolarHBondContact O-N 2.94Å; K332-Q335 WeakPolarHBondContact O-CB 3.37Å; K332-Q335 PolarHBondContact O-N 3.34Å; Q335-S337 PolarHBondContact O-N 3.49Å; Q335-H338 PolarHBondContact O-N 3.14Å; Q335-E339 PolarHBondContact O-N 3.3Å
336L98.9Very high98.8Very high7 Ų743.7 Ų43.74%0.03721%0.209CC..Hα-helixtrans-66.4-34.2179.9-70.5174.8000112.9K332 H333 V334 E339 F340 I402 V407 V412K332-L336 HydrophobicContact CG-CD1 4.18Å; K332-L336 VanDerWaalsContact O-CG 3.31Å; K332-L336 WeakPolarHBondContact O-CG 3.38Å; K332-L336 PolarHBondContact O-N 3.26Å; H333-L336 PolarHBondContact O-N 3.05Å; V334-L336 PolarHBondContact O-N 3.38Å; L336-E339 PolarHBondContact O-N 3.37Å; L336-F340 PolarHBondContact O-N 2.78Å; L336-I402 HydrophobicContact CB-CD1 4.07Å; L336-I402 HydrophobicContact CB-CG1 4.2Å; L336-I402 HydrophobicContact CB-CG2 4.25Å; L336-I402 HydrophobicContact CD1-CG2 4.23Å; L336-V407 HydrophobicContact CD1-CG1 3.75Å; L336-V407 HydrophobicContact CD1-CG2 4.46Å; L336-V412 HydrophobicContact CB-CG2 4.21Å; L336-V412 HydrophobicContact CD2-CG2 4.18Å
337S98.9Very high98.8Very high0 Ų044.6 Ų44.60%021%0.214CC..Hα-helixtrans-66.9-38.7172.142.90000112.3H333 V334 Q335 F340 E341 L358 V361H333-S337 PolarHBondContact O-N 3.13Å; H333-S337 PolarHBondContact O-OG 2.97Å; V334-S337 WeakPolarHBondContact CA-OG 3.41Å; V334-S337 PolarHBondContact O-N 2.89Å; V334-S337 PolarHBondContact O-OG 3.24Å; Q335-S337 PolarHBondContact O-N 3.49Å; S337-F340 PolarHBondContact O-N 3.42Å; S337-E341 WeakPolarHBondContact O-CB 3.33Å; S337-E341 PolarHBondContact O-N 3.12Å; S337-L358 WeakPolarHBondContact CB-O 3.23Å; S337-L358 PolarHBondContact OG-O 3.44Å; S337-V361 VanDerWaalsContact O-CG2 3.3Å; S337-V361 WeakPolarHBondContact O-CG2 3.32Å
338H98.9Very high98.8Very high75 Ų7547.9 Ų47.935%0.34724%0.238SC..Hα-helixtrans-71.5-30175-74.1-63.7000112.9V334 Q335 E341 S342 V356V334-H338 PolarHBondContact O-CD2 3.45Å; V334-H338 PolarHBondContact O-N 2.94Å; V334-H338 VanDerWaalsContact O-N 3.13Å; Q335-H338 PolarHBondContact O-N 3.14Å; H338-E341 IonicContact CE1-OE2 2.86Å; H338-E341 IonicContact CG-OE2 3.91Å; H338-E341 IonicContact ND1-OE2 3.97Å; H338-E341 PolarHBondContact ND1-OE2 3.21Å; H338-E341 PolarHBondContact O-N 2.95Å; H338-S342 WeakPolarHBondContact O-CB 3.46Å; H338-S342 PolarHBondContact O-N 2.68Å; H338-V356 PolarHBondContact CE1-O 3.04Å
339E98.9Very high98.8Very high45 Ų4548.9 Ų48.921%0.2123%0.23CC..Hα-helixtrans-59.9-50.1168-177.6-179165.300110.3Q335 L336 E341 S342 L343 S409 Q413Q335-E339 PolarHBondContact O-N 3.3Å; L336-E339 PolarHBondContact O-N 3.37Å; E339-E341 PolarHBondContact O-N 3.27Å; E339-S342 WeakPolarHBondContact O-CB 2.95Å; E339-S342 PolarHBondContact O-N 2.97Å; E339-L343 WeakPolarHBondContact O-CG 3.33Å; E339-L343 PolarHBondContact O-N 2.86Å; E339-S409 VanDerWaalsContact CD-OG 3.26Å; E339-S409 PolarHBondContact OE1-OG 3.12Å; E339-S409 VanDerWaalsContact OE2-CB 3.25Å; E339-S409 WeakPolarHBondContact OE2-CB 3.12Å; E339-S409 PolarHBondContact OE2-OG 3.05Å; E339-S409 VanDerWaalsContact OE2-OG 3.14Å; E339-Q413 PolarHBondContact OE1-NE2 3.05Å
340F98.9Very high98.8Very high0 Ų048.1 Ų48.10%023%0.228CC..Hα-helixtrans-60.8-43.1175.8-174.5-101.6000112.4L336 S337 S342 L343 V344 V361 F363 F400 V412 W416 I419L336-F340 PolarHBondContact O-N 2.78Å; S337-F340 PolarHBondContact O-N 3.42Å; F340-S342 VanDerWaalsContact C-N 3.32Å; F340-S342 PolarHBondContact O-N 3.19Å; F340-L343 WeakPolarHBondContact O-CB 3.38Å; F340-L343 PolarHBondContact O-N 2.86Å; F340-V344 HydrophobicContact CD1-CG2 3.98Å; F340-V344 HydrophobicContact CE1-CG2 3.55Å; F340-V344 HydrophobicContact CE2-CG2 4.37Å; F340-V344 HydrophobicContact CZ-CG2 3.77Å; F340-V344 WeakPolarHBondContact O-CG2 3.47Å; F340-V344 PolarHBondContact O-N 2.7Å; F340-V361 HydrophobicContact CD1-CB 3.73Å; F340-V361 HydrophobicContact CD1-CG1 3.82Å; F340-V361 HydrophobicContact CD1-CG2 3.87Å; F340-V361 HydrophobicContact CE1-CB 4.13Å; F340-V361 HydrophobicContact CE1-CG1 4.06Å; F340-F363 AromaticContact CE1-CD1 3.88Å; F340-F363 HydrophobicContact CE1-CD1 3.88Å; F340-F363 AromaticContact CE1-CE1 3.91Å; F340-F363 HydrophobicContact CE1-CE1 3.91Å; F340-F363 HydrophobicContact CE1-CG 4.36Å; F340-F363 HydrophobicContact CE1-CZ 4.41Å; F340-F363 HydrophobicContact CZ-CD1 4.27Å; F340-F363 AromaticContact CZ-CE1 3.9Å; F340-F363 HydrophobicContact CZ-CE1 3.9Å; F340-F363 HydrophobicContact CZ-CE2 4.4Å; F340-F363 AromaticContact CZ-CZ 3.97Å; F340-F363 HydrophobicContact CZ-CZ 3.97Å; F340-F400 HydrophobicContact CB-CD1 4.29Å; F340-F400 HydrophobicContact CB-CE1 4.21Å; F340-F400 HydrophobicContact CD1-CB 4Å; F340-F400 AromaticContact CD1-CD1 3.7Å; F340-F400 HydrophobicContact CD1-CD1 3.7Å; F340-F400 HydrophobicContact CD1-CE1 4.29Å; F340-F400 AromaticContact CD1-CG 3.85Å; F340-F400 HydrophobicContact CD1-CG 3.85Å; F340-F400 AromaticContact CD2-CD1 4Å; F340-F400 HydrophobicContact CD2-CD1 4Å; F340-F400 HydrophobicContact CD2-CD2 4.32Å; F340-F400 AromaticContact CD2-CE1 3.79Å; F340-F400 HydrophobicContact CD2-CE1 3.79Å; F340-F400 HydrophobicContact CD2-CE2 4.15Å; F340-F400 HydrophobicContact CD2-CG 4.25Å; F340-F400 AromaticContact CD2-CZ 3.87Å; F340-F400 HydrophobicContact CD2-CZ 3.87Å; F340-F400 HydrophobicContact CE1-CB 3.54Å; F340-F400 AromaticContact CE1-CD1 3.97Å; F340-F400 HydrophobicContact CE1-CD1 3.97Å; F340-F400 HydrophobicContact CE1-CD2 4.06Å; F340-F400 AromaticContact CE1-CG 3.6Å; F340-F400 HydrophobicContact CE1-CG 3.6Å; F340-F400 HydrophobicContact CE2-CD1 4.24Å; F340-F400 AromaticContact CE2-CD2 3.78Å; F340-F400 HydrophobicContact CE2-CD2 3.78Å; F340-F400 HydrophobicContact CE2-CE1 4.22Å; F340-F400 AromaticContact CE2-CE2 3.78Å; F340-F400 HydrophobicContact CE2-CE2 3.78Å; F340-F400 HydrophobicContact CE2-CG 4.02Å; F340-F400 HydrophobicContact CE2-CZ 4Å; F340-F400 AromaticContact CG-CD1 3.71Å; F340-F400 HydrophobicContact CG-CD1 3.71Å; F340-F400 AromaticContact CG-CE1 3.82Å; F340-F400 HydrophobicContact CG-CE1 3.82Å; F340-F400 HydrophobicContact CG-CG 4.17Å; F340-F400 HydrophobicContact CG-CZ 4.38Å; F340-F400 HydrophobicContact CZ-CB 3.97Å; F340-F400 HydrophobicContact CZ-CD1 4.23Å; F340-F400 AromaticContact CZ-CD2 3.64Å; F340-F400 HydrophobicContact CZ-CD2 3.64Å; F340-F400 HydrophobicContact CZ-CE2 4.14Å; F340-F400 AromaticContact CZ-CG 3.69Å; F340-F400 HydrophobicContact CZ-CG 3.69Å; F340-V412 HydrophobicContact CB-CG1 3.69Å; F340-V412 HydrophobicContact CD2-CG1 3.93Å; F340-V412 HydrophobicContact CG-CG1 4.29Å; F340-W416 HydrophobicContact CD2-CB 4.39Å; F340-W416 HydrophobicContact CE2-CB 4.18Å; F340-W416 HydrophobicContact CE2-CD2 4.4Å; F340-W416 AromaticContact CE2-CE3 3.77Å; F340-W416 HydrophobicContact CE2-CE3 3.77Å; F340-W416 HydrophobicContact CZ-CE3 4.05Å; F340-W416 HydrophobicContact CZ-CZ3 4.45Å; F340-I419 HydrophobicContact CE2-CD1 4.11Å; F340-I419 HydrophobicContact CZ-CD1 4.09Å
341E98.9Very high98.8Very high26 Ų2651 Ų5112%0.12124%0.241CC..Hα-helixtrans-55.5-47.4175-174.1-165.917900111.5S337 H338 E339 L343 V344 R345 I352 V356 V361S337-E341 WeakPolarHBondContact O-CB 3.33Å; S337-E341 PolarHBondContact O-N 3.12Å; H338-E341 IonicContact CE1-OE2 2.86Å; H338-E341 IonicContact CG-OE2 3.91Å; H338-E341 IonicContact ND1-OE2 3.97Å; H338-E341 PolarHBondContact ND1-OE2 3.21Å; H338-E341 PolarHBondContact O-N 2.95Å; E339-E341 PolarHBondContact O-N 3.27Å; E341-L343 VanDerWaalsContact C-N 3.34Å; E341-L343 PolarHBondContact O-N 3.16Å; E341-V344 PolarHBondContact O-N 3.32Å; E341-R345 WeakPolarHBondContact O-CG 3.42Å; E341-R345 PolarHBondContact O-N 3.07Å; E341-R345 IonicContact OE1-CZ 2.87Å; E341-R345 VanDerWaalsContact OE1-CZ 3.25Å; E341-R345 IonicContact OE1-NE 3.58Å; E341-R345 PolarHBondContact OE1-NE 2.9Å; E341-R345 IonicContact OE1-NH2 2.69Å; E341-R345 PolarHBondContact OE1-NH2 2.85Å; E341-I352 HydrophobicContact CG-CD1 3.95Å; E341-I352 HydrophobicContact CG-CG1 4.13Å; E341-V356 HydrophobicContact CB-CG2 4.11Å; E341-V356 HydrophobicContact CG-CB 4.36Å; E341-V356 HydrophobicContact CG-CG2 3.74Å; E341-V361 HydrophobicContact CB-CG2 4.47Å
342S98.9Very high98.8Very high57 Ų5748.1 Ų48.140%0.39923%0.232SC..Hα-helixtrans-60.2-43.7177.6-177.30000111.7H338 E339 F340 V344 R345 Q346H338-S342 WeakPolarHBondContact O-CB 3.46Å; H338-S342 PolarHBondContact O-N 2.68Å; E339-S342 WeakPolarHBondContact O-CB 2.95Å; E339-S342 PolarHBondContact O-N 2.97Å; F340-S342 VanDerWaalsContact C-N 3.32Å; F340-S342 PolarHBondContact O-N 3.19Å; S342-V344 PolarHBondContact O-N 3.11Å; S342-R345 PolarHBondContact O-N 3.22Å; S342-Q346 VanDerWaalsContact O-CG 3.27Å; S342-Q346 WeakPolarHBondContact O-CG 3.32Å; S342-Q346 PolarHBondContact O-N 3.3Å; S342-Q346 VanDerWaalsContact O-N 3.11Å; S342-Q346 PolarHBondContact O-NE2 3.05Å; S342-Q346 PolarHBondContact OG-NE2 3.29Å
343L98.9Very high98.7Very high31 Ų3147.5 Ų47.516%0.16223%0.234CC..Hα-helixtrans-60.3-43.6176.6-71.5173.1000112.2E339 F340 E341 Q346 V412 Q413 W416E339-L343 WeakPolarHBondContact O-CG 3.33Å; E339-L343 PolarHBondContact O-N 2.86Å; F340-L343 WeakPolarHBondContact O-CB 3.38Å; F340-L343 PolarHBondContact O-N 2.86Å; E341-L343 VanDerWaalsContact C-N 3.34Å; E341-L343 PolarHBondContact O-N 3.16Å; L343-Q346 PolarHBondContact O-N 3.26Å; L343-V412 HydrophobicContact CD1-CG1 4.38Å; L343-Q413 HydrophobicContact CD1-CG 4.32Å; L343-W416 HydrophobicContact CB-CD2 4.23Å; L343-W416 HydrophobicContact CB-CG 3.96Å; L343-W416 HydrophobicContact CD1-CB 4.03Å; L343-W416 HydrophobicContact CD1-CG 4.06Å; L343-W416 WeakPolarHBondContact O-CZ2 3.48Å
344V98.9Very high98.6Very high0 Ų049.6 Ų49.60%025%0.246CC..Hα-helixtrans-64.4-44176.6174.50000111.3F340 E341 S342 Q346 D347 F350 I352 F363 W416F340-V344 HydrophobicContact CD1-CG2 3.98Å; F340-V344 HydrophobicContact CE1-CG2 3.55Å; F340-V344 HydrophobicContact CE2-CG2 4.37Å; F340-V344 HydrophobicContact CZ-CG2 3.77Å; F340-V344 WeakPolarHBondContact O-CG2 3.47Å; F340-V344 PolarHBondContact O-N 2.7Å; E341-V344 PolarHBondContact O-N 3.32Å; S342-V344 PolarHBondContact O-N 3.11Å; V344-Q346 VanDerWaalsContact C-N 3.26Å; V344-Q346 PolarHBondContact O-N 3.01Å; V344-D347 PolarHBondContact O-N 3.29Å; V344-F350 HydrophobicContact CG1-CB 3.78Å; V344-I352 HydrophobicContact CB-CD1 3.86Å; V344-I352 HydrophobicContact CG1-CD1 3.62Å; V344-I352 HydrophobicContact CG1-CG1 4.15Å; V344-I352 HydrophobicContact CG2-CD1 4.48Å; V344-F363 HydrophobicContact CG1-CB 3.98Å; V344-F363 HydrophobicContact CG1-CD2 4.36Å; V344-F363 HydrophobicContact CG1-CG 4.49Å; V344-F363 HydrophobicContact CG2-CB 4.5Å; V344-F363 HydrophobicContact CG2-CD2 4.26Å; V344-F363 HydrophobicContact CG2-CG 4.35Å; V344-W416 HydrophobicContact CB-CH2 4.25Å; V344-W416 HydrophobicContact CB-CZ3 4.5Å; V344-W416 HydrophobicContact CG2-CE3 4.12Å; V344-W416 HydrophobicContact CG2-CH2 3.89Å; V344-W416 HydrophobicContact CG2-CZ3 3.66Å
345R98.6Very high98.5Very high149 Ų14956.5 Ų56.556%0.56228%0.278SS*.Hα-helixtrans-65.1-27.7-179.6-72.4-179.6-176.9-73.80.7113.3E341 S342 D347 I352E341-R345 WeakPolarHBondContact O-CG 3.42Å; E341-R345 PolarHBondContact O-N 3.07Å; E341-R345 IonicContact OE1-CZ 2.87Å; E341-R345 VanDerWaalsContact OE1-CZ 3.25Å; E341-R345 IonicContact OE1-NE 3.58Å; E341-R345 PolarHBondContact OE1-NE 2.9Å; E341-R345 IonicContact OE1-NH2 2.69Å; E341-R345 PolarHBondContact OE1-NH2 2.85Å; S342-R345 PolarHBondContact O-N 3.22Å; R345-D347 VanDerWaalsContact C-N 3.31Å; R345-I352 HydrophobicContact CG-CG1 3.8Å
346Q98.6Very high98.5Very high137 Ų13750.4 Ų50.464%0.6425%0.25SS*.Hα-helixtrans-73.6-21177.4-72.8169.749.800113.1S342 L343 V344S342-Q346 VanDerWaalsContact O-CG 3.27Å; S342-Q346 WeakPolarHBondContact O-CG 3.32Å; S342-Q346 PolarHBondContact O-N 3.3Å; S342-Q346 VanDerWaalsContact O-N 3.11Å; S342-Q346 PolarHBondContact O-NE2 3.05Å; S342-Q346 PolarHBondContact OG-NE2 3.29Å; L343-Q346 PolarHBondContact O-N 3.26Å; V344-Q346 VanDerWaalsContact C-N 3.26Å; V344-Q346 PolarHBondContact O-N 3.01Å
347D98.7Very high98.4Very high18 Ų1852.2 Ų52.210%0.09626%0.26CS..SBendtrans-96.1111.2177.8-169.1-36.8000110.9V344 R345 R349 F350 W416V344-D347 PolarHBondContact O-N 3.29Å; R345-D347 VanDerWaalsContact C-N 3.31Å; D347-R349 PolarHBondContact O-N 3.26Å; D347-R349 VanDerWaalsContact OD1-CB 3.22Å; D347-R349 WeakPolarHBondContact OD1-CB 3.07Å; D347-R349 VanDerWaalsContact OD1-CG 3.24Å; D347-R349 WeakPolarHBondContact OD1-CG 3.49Å; D347-R349 IonicContact OD1-CZ 3.68Å; D347-R349 PolarHBondContact OD1-N 2.99Å; D347-R349 IonicContact OD1-NE 3.31Å; D347-R349 PolarHBondContact OD1-NE 3.18Å; D347-R349 IonicContact OD1-NH2 2.79Å; D347-R349 IonicContact OD2-CZ 3.71Å; D347-R349 VanDerWaalsContact OD2-CZ 3.3Å; D347-R349 IonicContact OD2-NE 2.67Å; D347-R349 PolarHBondContact OD2-NE 3.48Å; D347-R349 VanDerWaalsContact OD2-NE 3.15Å; D347-R349 IonicContact OD2-NH2 3.3Å; D347-R349 PolarHBondContact OD2-NH2 2.88Å; D347-F350 HydrophobicContact CB-CD2 3.92Å; D347-F350 PolarHBondContact O-N 3.07Å; D347-F350 VanDerWaalsContact O-N 3.07Å; D347-W416 HydrophobicContact CB-CH2 4.29Å; D347-W416 HydrophobicContact CB-CZ2 3.75Å
348P98.2Very high98.4Very high100 Ų10052.3 Ų52.365%0.64926%0.26SS*.THydrogen-bonded Turntrans-66-13.6-172.828-36000113.8F350 K366P348-F350 VanDerWaalsContact C-N 3.28Å; P348-K366 PolarHBondContact O-NZ 3.17Å
349R98.4Very high98.4Very high73 Ų7348.7 Ų48.728%0.27524%0.243SC..THydrogen-bonded Turntrans-71.8-23.4176.8-57.2176.4-67.9167.4-0.3112.3D347 L365 K366 K420 L427D347-R349 PolarHBondContact O-N 3.26Å; D347-R349 VanDerWaalsContact OD1-CB 3.22Å; D347-R349 WeakPolarHBondContact OD1-CB 3.07Å; D347-R349 VanDerWaalsContact OD1-CG 3.24Å; D347-R349 WeakPolarHBondContact OD1-CG 3.49Å; D347-R349 IonicContact OD1-CZ 3.68Å; D347-R349 PolarHBondContact OD1-N 2.99Å; D347-R349 IonicContact OD1-NE 3.31Å; D347-R349 PolarHBondContact OD1-NE 3.18Å; D347-R349 IonicContact OD1-NH2 2.79Å; D347-R349 IonicContact OD2-CZ 3.71Å; D347-R349 VanDerWaalsContact OD2-CZ 3.3Å; D347-R349 IonicContact OD2-NE 2.67Å; D347-R349 PolarHBondContact OD2-NE 3.48Å; D347-R349 VanDerWaalsContact OD2-NE 3.15Å; D347-R349 IonicContact OD2-NH2 3.3Å; D347-R349 PolarHBondContact OD2-NH2 2.88Å; R349-L365 HydrophobicContact CB-CD2 3.98Å; R349-K366 PolarHBondContact O-N 2.7Å; R349-K420 PolarHBondContact NH1-O 3.44Å; R349-K420 PolarHBondContact NH2-O 3.06Å; R349-L427 HydrophobicContact CB-CD1 4.4Å; R349-L427 HydrophobicContact CG-CD1 4.33Å
350F98.8Very high98.4Very high6 Ų646.8 Ų46.83%0.02624%0.235CC..EExtended strand (participates in β ladder)trans-106.5164.7-175.6-65-95.7000112.3V344 D347 P348 F363 R364 L365 K366 L375 W416 I419 A423V344-F350 HydrophobicContact CG1-CB 3.78Å; D347-F350 HydrophobicContact CB-CD2 3.92Å; D347-F350 PolarHBondContact O-N 3.07Å; D347-F350 VanDerWaalsContact O-N 3.07Å; P348-F350 VanDerWaalsContact C-N 3.28Å; F350-F363 AromaticContact CD1-CD2 3.83Å; F350-F363 HydrophobicContact CD1-CD2 3.83Å; F350-F363 HydrophobicContact CD1-CE2 4.09Å; F350-F363 HydrophobicContact CE1-CD2 4.21Å; F350-F363 AromaticContact CE1-CE2 3.99Å; F350-F363 HydrophobicContact CE1-CE2 3.99Å; F350-R364 CarbonylContact C-O 3.54Å; F350-R364 VanDerWaalsContact CA-O 3.28Å; F350-R364 WeakPolarHBondContact CA-O 3.48Å; F350-L365 HydrophobicContact CD1-CD2 3.71Å; F350-L365 HydrophobicContact CD1-CG 4Å; F350-L365 HydrophobicContact CD2-CD2 3.98Å; F350-L365 HydrophobicContact CE1-CD2 3.48Å; F350-L365 VanDerWaalsContact CE1-CD2 3.48Å; F350-L365 HydrophobicContact CE1-CG 3.67Å; F350-L365 HydrophobicContact CE2-CD2 3.76Å; F350-L365 HydrophobicContact CG-CD2 3.98Å; F350-L365 HydrophobicContact CZ-CD2 3.53Å; F350-L365 HydrophobicContact CZ-CG 4.12Å; F350-K366 VanDerWaalsContact O-CE 3.24Å; F350-K366 WeakPolarHBondContact O-CE 3.26Å; F350-L375 HydrophobicContact CE1-CD2 4.03Å; F350-W416 HydrophobicContact CD1-CH2 4.32Å; F350-W416 AromaticContact CD2-CH2 3.61Å; F350-W416 HydrophobicContact CD2-CH2 3.61Å; F350-W416 HydrophobicContact CD2-CZ2 4.39Å; F350-W416 HydrophobicContact CD2-CZ3 4.49Å; F350-W416 HydrophobicContact CE1-CH2 4.35Å; F350-W416 HydrophobicContact CE1-CZ3 4.34Å; F350-W416 AromaticContact CE2-CH2 3.64Å; F350-W416 HydrophobicContact CE2-CH2 3.64Å; F350-W416 HydrophobicContact CE2-CZ2 4.41Å; F350-W416 HydrophobicContact CE2-CZ3 4.29Å; F350-W416 AromaticContact CG-CH2 3.94Å; F350-W416 HydrophobicContact CG-CH2 3.94Å; F350-W416 HydrophobicContact CZ-CH2 4Å; F350-W416 HydrophobicContact CZ-CZ3 4.19Å; F350-I419 HydrophobicContact CE1-CG2 4.11Å; F350-I419 HydrophobicContact CZ-CG2 4.01Å; F350-A423 HydrophobicContact CE1-CB 4.4Å; F350-A423 HydrophobicContact CE2-CB 4.15Å; F350-A423 HydrophobicContact CZ-CB 3.51Å
351E98.5Very high98.4Very high62 Ų6246.8 Ų46.829%0.2924%0.235SC..EExtended strand (participates in β ladder)trans-139.6143.9170.161.7-177.5177.400111.1F363 R364 K366E351-F363 VanDerWaalsContact O-CA 3.31Å; E351-F363 WeakPolarHBondContact O-CA 3.5Å; E351-R364 HydrophobicContact CG-CG 3.54Å; E351-R364 PolarHBondContact N-O 2.96Å; E351-R364 PolarHBondContact O-N 3.15Å; E351-R364 VanDerWaalsContact OE1-CD 3.3Å; E351-R364 WeakPolarHBondContact OE1-CD 3.39Å; E351-R364 WeakPolarHBondContact OE1-CG 3.32Å; E351-R364 IonicContact OE1-NE 2.67Å; E351-K366 HydrophobicContact CB-CG 4.17Å; E351-K366 HydrophobicContact CG-CG 4.12Å
352I98.6Very high98.4Very high28 Ų2845.6 Ų45.614%0.14423%0.229CC..EExtended strand (participates in β ladder)trans-81126.7168-64.2-64.9000107.9E341 V344 R345 V354 V356 V361 F363E341-I352 HydrophobicContact CG-CD1 3.95Å; E341-I352 HydrophobicContact CG-CG1 4.13Å; V344-I352 HydrophobicContact CB-CD1 3.86Å; V344-I352 HydrophobicContact CG1-CD1 3.62Å; V344-I352 HydrophobicContact CG1-CG1 4.15Å; V344-I352 HydrophobicContact CG2-CD1 4.48Å; R345-I352 HydrophobicContact CG-CG1 3.8Å; I352-V354 WeakPolarHBondContact CG2-O 3.45Å; I352-V356 HydrophobicContact CG2-CG2 4.41Å; I352-V361 HydrophobicContact CD1-CG1 3.6Å; I352-F363 HydrophobicContact CD1-CB 4.24Å
353C97.9Very high98.4Very high39 Ų3942.9 Ų42.926%0.26421%0.21SC..  trans-88.7-26.5-171.5-64.10000113.8C362 R364 L392 V397C353-C362 HydrophobicContact CB-CB 4.32Å; C353-C362 PolarHBondContact N-O 3.5Å; C353-R364 VanDerWaalsContact SG-CG 3.54Å; C353-L392 HydrophobicContact CB-CD1 3.91Å; C353-V397 HydrophobicContact CB-CG1 4.04Å; C353-V397 HydrophobicContact CB-CG2 4.21Å
354V96.4Very high98.4Very high44 Ų4441.9 Ų41.927%0.26720%0.204SC..SBendtrans-146.4159.5179.6-650000109.8C200 I352 V356 C362 L392C200-V354 HydrophobicContact CB-CB 4.46Å; C200-V354 HydrophobicContact CB-CG1 4.06Å; C200-V354 HydrophobicContact CB-CG2 3.8Å; I352-V354 WeakPolarHBondContact CG2-O 3.45Å; V354-V356 PolarHBondContact O-N 3.34Å; V354-C362 HydrophobicContact CG2-CB 3.63Å; V354-L392 HydrophobicContact CG1-CD1 3.61Å
355E97.2Very high98.4Very high155 Ų15541.9 Ų41.972%0.72420%0.204SC*.  trans-56.9135.1172.8-174.9174.8-167.300111.4I357E355-I357 HydrophobicContact CG-CG1 4.06Å
356V98.4Very high98.3Very high7 Ų739.9 Ų39.94%0.04220%0.199CC..  trans-90.4109.8176.3179.90000107.8H338 E341 I352 V354 V361H338-V356 PolarHBondContact CE1-O 3.04Å; E341-V356 HydrophobicContact CB-CG2 4.11Å; E341-V356 HydrophobicContact CG-CB 4.36Å; E341-V356 HydrophobicContact CG-CG2 3.74Å; I352-V356 HydrophobicContact CG2-CG2 4.41Å; V354-V356 PolarHBondContact O-N 3.34Å; V356-V361 HydrophobicContact CG1-CG2 3.89Å; V356-V361 HydrophobicContact CG2-CB 4.27Å; V356-V361 HydrophobicContact CG2-CG1 3.94Å; V356-V361 HydrophobicContact CG2-CG2 3.96Å
357I97.6Very high98.1Very high45 Ų4536.1 Ų36.123%0.23120%0.197CC..  trans-104.4-41-176.2-57.4171.4000111.2F203 L239 E355F203-I357 HydrophobicContact CD2-CD1 3.64Å; F203-I357 HydrophobicContact CE2-CB 4.03Å; F203-I357 HydrophobicContact CE2-CD1 3.61Å; F203-I357 HydrophobicContact CE2-CG1 4.42Å; F203-I357 HydrophobicContact CE2-CG2 3.8Å; F203-I357 HydrophobicContact CZ-CG2 4.27Å; L239-I357 HydrophobicContact CD1-CG2 3.78Å; L239-I357 HydrophobicContact CD2-CG2 4.39Å; E355-I357 HydrophobicContact CG-CG1 4.06Å
358L98.7Very high98Very high1 Ų137.5 Ų37.51%0.00521%0.208CC..SBendtrans-130.1-150.3-177-63.8178.7000109.7F203 Y226 A227 A230 F236 W256 V334 S337 L360F203-L358 HydrophobicContact CE1-CD1 4.47Å; F203-L358 HydrophobicContact CZ-CD1 3.72Å; F203-L358 HydrophobicContact CZ-CG 4.3Å; Y226-L358 HydrophobicContact CE1-CB 4.32Å; Y226-L358 HydrophobicContact CE1-CD1 4.47Å; A227-L358 HydrophobicContact CB-CD1 3.55Å; A230-L358 HydrophobicContact CB-CD1 4.04Å; A230-L358 HydrophobicContact CB-CD2 3.84Å; F236-L358 HydrophobicContact CD1-CD2 3.87Å; F236-L358 HydrophobicContact CD2-CD2 4.29Å; F236-L358 HydrophobicContact CE1-CD2 4.09Å; F236-L358 HydrophobicContact CG-CD2 4Å; F236-L358 HydrophobicContact CZ-CD2 4.44Å; W256-L358 HydrophobicContact CH2-CB 3.99Å; W256-L358 HydrophobicContact CH2-CD2 4.48Å; W256-L358 HydrophobicContact CZ3-CB 4.13Å; W256-L358 HydrophobicContact CZ3-CD1 4.12Å; W256-L358 HydrophobicContact CZ3-CD2 4.46Å; W256-L358 HydrophobicContact CZ3-CG 4.48Å; V334-L358 HydrophobicContact CG2-CD2 4.1Å; S337-L358 WeakPolarHBondContact CB-O 3.23Å; S337-L358 PolarHBondContact OG-O 3.44Å; L358-L360 PolarHBondContact O-N 3.1Å
359G98.4Very high98Very high0 Ų034.9 Ų34.90%019%0.189CC..SBendtrans-75.822.5-174.600000116.4Y226 A401 I402Y226-G359 VanDerWaalsContact OH-CA 3.25Å; Y226-G359 WeakPolarHBondContact OH-CA 3.45Å; Y226-G359 PolarHBondContact OH-N 3.1Å; G359-A401 CarbonylContact O-C 3.56Å; G359-A401 WeakPolarHBondContact O-CA 3.27Å; G359-I402 PolarHBondContact O-N 3.21Å
360L98.8Very high98Very high5 Ų539.2 Ų39.23%0.02621%0.209CC..EExtended strand (participates in β ladder)trans-125.9126.6179.117465000111F80 C201 L358 R399 A401F80-L360 HydrophobicContact CE1-CB 4.22Å; F80-L360 HydrophobicContact CE1-CD2 4.06Å; F80-L360 HydrophobicContact CZ-CD2 4.24Å; C201-L360 HydrophobicContact CB-CB 4.16Å; C201-L360 HydrophobicContact CB-CD2 3.79Å; C201-L360 HydrophobicContact CB-CG 4.5Å; L358-L360 PolarHBondContact O-N 3.1Å; L360-R399 HydrophobicContact CD1-CB 3.87Å; L360-R399 HydrophobicContact CD1-CG 4.35Å; L360-A401 HydrophobicContact CD1-CB 4.06Å
361V98.9Very high98Very high0 Ų039.1 Ų39.10%021%0.21CC..EExtended strand (participates in β ladder)trans-112.6125.5171.4-173.70000109.8S337 F340 E341 I352 V356 F400S337-V361 VanDerWaalsContact O-CG2 3.3Å; S337-V361 WeakPolarHBondContact O-CG2 3.32Å; F340-V361 HydrophobicContact CD1-CB 3.73Å; F340-V361 HydrophobicContact CD1-CG1 3.82Å; F340-V361 HydrophobicContact CD1-CG2 3.87Å; F340-V361 HydrophobicContact CE1-CB 4.13Å; F340-V361 HydrophobicContact CE1-CG1 4.06Å; E341-V361 HydrophobicContact CB-CG2 4.47Å; I352-V361 HydrophobicContact CD1-CG1 3.6Å; V356-V361 HydrophobicContact CG1-CG2 3.89Å; V356-V361 HydrophobicContact CG2-CB 4.27Å; V356-V361 HydrophobicContact CG2-CG1 3.94Å; V356-V361 HydrophobicContact CG2-CG2 3.96Å; V361-F400 HydrophobicContact CB-CB 4.44Å; V361-F400 PolarHBondContact N-O 3.24Å; V361-F400 PolarHBondContact O-N 3.45Å
362C98.8Very high98Very high0 Ų036.2 Ų36.20%020%0.196CC..EExtended strand (participates in β ladder)trans-105.3117.8174.1-64.40000109.3C353 V354 V397 L398C353-C362 HydrophobicContact CB-CB 4.32Å; C353-C362 PolarHBondContact N-O 3.5Å; V354-C362 HydrophobicContact CG2-CB 3.63Å; C362-V397 HydrophobicContact CB-CG1 3.75Å; C362-L398 WeakPolarHBondContact CA-O 3.32Å
363F98.8Very high98Very high0 Ų039 Ų390%021%0.209CC..EExtended strand (participates in β ladder)trans-142.2161.9-172.775.2-70.7000111.4F340 V344 F350 E351 I352 L387 L398 F400 W416 I419F340-F363 AromaticContact CE1-CD1 3.88Å; F340-F363 HydrophobicContact CE1-CD1 3.88Å; F340-F363 AromaticContact CE1-CE1 3.91Å; F340-F363 HydrophobicContact CE1-CE1 3.91Å; F340-F363 HydrophobicContact CE1-CG 4.36Å; F340-F363 HydrophobicContact CE1-CZ 4.41Å; F340-F363 HydrophobicContact CZ-CD1 4.27Å; F340-F363 AromaticContact CZ-CE1 3.9Å; F340-F363 HydrophobicContact CZ-CE1 3.9Å; F340-F363 HydrophobicContact CZ-CE2 4.4Å; F340-F363 AromaticContact CZ-CZ 3.97Å; F340-F363 HydrophobicContact CZ-CZ 3.97Å; V344-F363 HydrophobicContact CG1-CB 3.98Å; V344-F363 HydrophobicContact CG1-CD2 4.36Å; V344-F363 HydrophobicContact CG1-CG 4.49Å; V344-F363 HydrophobicContact CG2-CB 4.5Å; V344-F363 HydrophobicContact CG2-CD2 4.26Å; V344-F363 HydrophobicContact CG2-CG 4.35Å; F350-F363 AromaticContact CD1-CD2 3.83Å; F350-F363 HydrophobicContact CD1-CD2 3.83Å; F350-F363 HydrophobicContact CD1-CE2 4.09Å; F350-F363 HydrophobicContact CE1-CD2 4.21Å; F350-F363 AromaticContact CE1-CE2 3.99Å; F350-F363 HydrophobicContact CE1-CE2 3.99Å; E351-F363 VanDerWaalsContact O-CA 3.31Å; E351-F363 WeakPolarHBondContact O-CA 3.5Å; I352-F363 HydrophobicContact CD1-CB 4.24Å; F363-L387 HydrophobicContact CZ-CD1 4.48Å; F363-L398 HydrophobicContact CD1-CB 4.16Å; F363-L398 WeakPolarHBondContact CD1-O 3.44Å; F363-L398 HydrophobicContact CE1-CB 3.69Å; F363-L398 HydrophobicContact CE2-CD2 4.46Å; F363-L398 HydrophobicContact CZ-CB 3.88Å; F363-L398 HydrophobicContact CZ-CD2 4.04Å; F363-L398 PolarHBondContact N-O 3.46Å; F363-L398 PolarHBondContact O-N 3.14Å; F363-F400 HydrophobicContact CD1-CB 4.45Å; F363-F400 HydrophobicContact CE1-CB 4.03Å; F363-W416 HydrophobicContact CE2-CZ3 4.36Å; F363-I419 HydrophobicContact CE2-CG2 4.07Å; F363-I419 HydrophobicContact CZ-CD1 4.13Å; F363-I419 HydrophobicContact CZ-CG2 4.37Å
364R98.7Very high98Very high10 Ų1038.7 Ų38.74%0.03821%0.208CC..EExtended strand (participates in β ladder)trans-152.4159.9175.467.9-179.6-76.7155-10.9110.9F350 E351 C353 G367 N369 N372 F396F350-R364 CarbonylContact C-O 3.54Å; F350-R364 VanDerWaalsContact CA-O 3.28Å; F350-R364 WeakPolarHBondContact CA-O 3.48Å; E351-R364 HydrophobicContact CG-CG 3.54Å; E351-R364 PolarHBondContact N-O 2.96Å; E351-R364 PolarHBondContact O-N 3.15Å; E351-R364 VanDerWaalsContact OE1-CD 3.3Å; E351-R364 WeakPolarHBondContact OE1-CD 3.39Å; E351-R364 WeakPolarHBondContact OE1-CG 3.32Å; E351-R364 IonicContact OE1-NE 2.67Å; C353-R364 VanDerWaalsContact SG-CG 3.54Å; R364-G367 PolarHBondContact NH2-O 3.35Å; R364-N369 PolarHBondContact NH1-OD1 3.45Å; R364-N369 PolarHBondContact NH2-OD1 3.49Å; R364-N372 WeakPolarHBondContact CA-OD1 3.46Å; R364-N372 VanDerWaalsContact CB-OD1 3.26Å; R364-N372 WeakPolarHBondContact CB-OD1 3.35Å; R364-F396 PolarHBondContact NH1-O 3.29Å
365L98.6Very high98.1Very high0 Ų036.6 Ų36.60%020%0.196CC..EExtended strand (participates in β ladder)trans-66.3137.7158.2-76.2172.5000109.4R349 F350 V371 N372 L375 A423 L427R349-L365 HydrophobicContact CB-CD2 3.98Å; F350-L365 HydrophobicContact CD1-CD2 3.71Å; F350-L365 HydrophobicContact CD1-CG 4Å; F350-L365 HydrophobicContact CD2-CD2 3.98Å; F350-L365 HydrophobicContact CE1-CD2 3.48Å; F350-L365 VanDerWaalsContact CE1-CD2 3.48Å; F350-L365 HydrophobicContact CE1-CG 3.67Å; F350-L365 HydrophobicContact CE2-CD2 3.76Å; F350-L365 HydrophobicContact CG-CD2 3.98Å; F350-L365 HydrophobicContact CZ-CD2 3.53Å; F350-L365 HydrophobicContact CZ-CG 4.12Å; L365-V371 HydrophobicContact CB-CG1 4.1Å; L365-V371 HydrophobicContact CD1-CG1 3.55Å; L365-V371 HydrophobicContact CG-CG1 4.48Å; L365-N372 PolarHBondContact N-OD1 3.04Å; L365-N372 PolarHBondContact O-ND2 3.01Å; L365-L375 HydrophobicContact CD1-CB 4.34Å; L365-L375 HydrophobicContact CD1-CD2 3.71Å; L365-L375 HydrophobicContact CG-CD2 3.92Å; L365-A423 HydrophobicContact CD1-CB 4.04Å; L365-A423 HydrophobicContact CD2-CB 4.13Å; L365-A423 HydrophobicContact CG-CB 4.49Å; L365-L427 HydrophobicContact CD1-CG 4.42Å; L365-L427 HydrophobicContact CD2-CD1 4.18Å
366K97.6Very high98.2Very high108 Ų10829.9 Ų29.947%0.4717%0.165SC..SBendtrans-62.9137.6168.1-67.7175.8-177.6158.60108.8P348 R349 F350 E351P348-K366 PolarHBondContact O-NZ 3.17Å; R349-K366 PolarHBondContact O-N 2.7Å; F350-K366 VanDerWaalsContact O-CE 3.24Å; F350-K366 WeakPolarHBondContact O-CE 3.26Å; E351-K366 HydrophobicContact CB-CG 4.17Å; E351-K366 HydrophobicContact CG-CG 4.12Å
367G94.9Very high98.1Very high57 Ų5735.9 Ų35.959%0.58819%0.192SC*.SBendtrans119.4-153.9-175.400000112.3R364R364-G367 PolarHBondContact NH2-O 3.35Å
368S96.9Very high98.2Very high48 Ų4838.2 Ų38.234%0.33620%0.198SC..  trans-74.1162.3-170.875.50000113.5K370 V371 N372S368-K370 VanDerWaalsContact C-N 3.27Å; S368-K370 PolarHBondContact O-N 3.18Å; S368-K370 PolarHBondContact OG-N 3.16Å; S368-V371 PolarHBondContact OG-N 3.09Å; S368-N372 PolarHBondContact O-ND2 3.33Å; S368-N372 VanDerWaalsContact O-ND2 3.08Å
369N98.3Very high98.1Very high45 Ų4538.1 Ų38.124%0.24120%0.198CC..Hα-helixtrans-63.7-35171.2-71.2-12.4000111.7R364 V371 N372 E373 D394 F396R364-N369 PolarHBondContact NH1-OD1 3.45Å; R364-N369 PolarHBondContact NH2-OD1 3.49Å; N369-V371 VanDerWaalsContact C-N 3.3Å; N369-V371 PolarHBondContact O-N 3.37Å; N369-N372 WeakPolarHBondContact O-CA 3.26Å; N369-N372 WeakPolarHBondContact O-CB 3.41Å; N369-N372 PolarHBondContact O-N 3.11Å; N369-E373 WeakPolarHBondContact O-CG 3.49Å; N369-E373 PolarHBondContact O-N 3.45Å; N369-D394 PolarHBondContact ND2-O 3.37Å; N369-F396 HydrophobicContact CB-CB 3.76Å; N369-F396 PolarHBondContact OD1-N 3.2Å
370K97.9Very high98.1Very high163 Ų16339.7 Ų39.771%0.70921%0.206SC*.Hα-helixtrans-57.2-40178.8-66.9-176.8176.6-178.60112.9S368 N372 E373 A374S368-K370 VanDerWaalsContact C-N 3.27Å; S368-K370 PolarHBondContact O-N 3.18Å; S368-K370 PolarHBondContact OG-N 3.16Å; K370-N372 VanDerWaalsContact C-N 3.3Å; K370-N372 PolarHBondContact O-N 2.66Å; K370-E373 PolarHBondContact O-N 3.35Å; K370-A374 WeakPolarHBondContact O-CB 3.29Å; K370-A374 PolarHBondContact O-N 2.78Å
371V97.9Very high97.9Very high5 Ų543 Ų433%0.0323%0.23CC..Hα-helixtrans-63.5-38.4176.5172.20000111.3L365 S368 N369 L375 V426 L427 E430L365-V371 HydrophobicContact CB-CG1 4.1Å; L365-V371 HydrophobicContact CD1-CG1 3.55Å; L365-V371 HydrophobicContact CG-CG1 4.48Å; S368-V371 PolarHBondContact OG-N 3.09Å; N369-V371 VanDerWaalsContact C-N 3.3Å; N369-V371 PolarHBondContact O-N 3.37Å; V371-L375 WeakPolarHBondContact O-CB 3.28Å; V371-L375 PolarHBondContact O-N 2.86Å; V371-V426 HydrophobicContact CG1-CG1 3.89Å; V371-L427 HydrophobicContact CG1-CD2 4.09Å; V371-E430 HydrophobicContact CG2-CG 4.45Å; V371-E430 WeakPolarHBondContact CG2-OE1 3.19Å; V371-E430 WeakPolarHBondContact CG2-OE2 3.29Å
372N98.5Very high97.8Very high0 Ų045 Ų450%025%0.246CC..Hα-helixtrans-76-36.8179.5-74.8-79.7000112.5R364 L365 S368 N369 K370 L375 L376 F396 L398R364-N372 WeakPolarHBondContact CA-OD1 3.46Å; R364-N372 VanDerWaalsContact CB-OD1 3.26Å; R364-N372 WeakPolarHBondContact CB-OD1 3.35Å; L365-N372 PolarHBondContact N-OD1 3.04Å; L365-N372 PolarHBondContact O-ND2 3.01Å; S368-N372 PolarHBondContact O-ND2 3.33Å; S368-N372 VanDerWaalsContact O-ND2 3.08Å; N369-N372 WeakPolarHBondContact O-CA 3.26Å; N369-N372 WeakPolarHBondContact O-CB 3.41Å; N369-N372 PolarHBondContact O-N 3.11Å; K370-N372 VanDerWaalsContact C-N 3.3Å; K370-N372 PolarHBondContact O-N 2.66Å; N372-L375 PolarHBondContact O-N 2.72Å; N372-L376 WeakPolarHBondContact O-CB 3.48Å; N372-L376 PolarHBondContact O-N 3.47Å; N372-F396 HydrophobicContact CB-CD1 3.74Å; N372-F396 HydrophobicContact CB-CE1 4.38Å; N372-L398 HydrophobicContact CB-CD1 3.91Å
373E98.5Very high97.5Very high88 Ų8847.2 Ų47.241%0.41126%0.256SS..Hα-helixtrans-59.7-47.7169.9-72.2164.8-156.100110.8N369 K370 L375 L376 Q377 F396N369-E373 WeakPolarHBondContact O-CG 3.49Å; N369-E373 PolarHBondContact O-N 3.45Å; K370-E373 PolarHBondContact O-N 3.35Å; E373-L375 PolarHBondContact O-N 2.86Å; E373-L376 PolarHBondContact O-N 3.22Å; E373-Q377 WeakPolarHBondContact O-CB 3.34Å; E373-Q377 PolarHBondContact O-N 3.2Å; E373-F396 HydrophobicContact CB-CZ 4.45Å; E373-F396 HydrophobicContact CG-CD1 4.14Å; E373-F396 HydrophobicContact CG-CD2 3.7Å; E373-F396 HydrophobicContact CG-CE1 4.04Å; E373-F396 HydrophobicContact CG-CE2 3.61Å; E373-F396 HydrophobicContact CG-CG 3.96Å; E373-F396 HydrophobicContact CG-CZ 3.76Å
374A98.3Very high97.4Very high31 Ų3153.4 Ų53.426%0.25628%0.283SS..Hα-helixtrans-62.7-41.4176.600000112.3K370 Q377 R378 V426K370-A374 WeakPolarHBondContact O-CB 3.29Å; K370-A374 PolarHBondContact O-N 2.78Å; A374-Q377 PolarHBondContact O-N 2.91Å; A374-R378 WeakPolarHBondContact O-CG 3.28Å; A374-R378 PolarHBondContact O-N 3.41Å; A374-V426 HydrophobicContact CB-CG1 4.1Å
375L98.6Very high97.3Very high0 Ų053 Ų530%028%0.282CS..Hα-helixtrans-61.2-50.1175176.360.4000111.3F350 L365 V371 N372 E373 Q377 R378 I379 L398 L422 A423 V426F350-L375 HydrophobicContact CE1-CD2 4.03Å; L365-L375 HydrophobicContact CD1-CB 4.34Å; L365-L375 HydrophobicContact CD1-CD2 3.71Å; L365-L375 HydrophobicContact CG-CD2 3.92Å; V371-L375 WeakPolarHBondContact O-CB 3.28Å; V371-L375 PolarHBondContact O-N 2.86Å; N372-L375 PolarHBondContact O-N 2.72Å; E373-L375 PolarHBondContact O-N 2.86Å; L375-Q377 VanDerWaalsContact C-N 3.32Å; L375-Q377 PolarHBondContact O-N 3.17Å; L375-R378 PolarHBondContact O-N 3.33Å; L375-I379 HydrophobicContact CD1-CD1 3.85Å; L375-I379 HydrophobicContact CD1-CG1 4.13Å; L375-I379 HydrophobicContact CD2-CD1 4.43Å; L375-I379 HydrophobicContact CG-CD1 3.75Å; L375-I379 HydrophobicContact CG-CG1 4.45Å; L375-I379 VanDerWaalsContact O-CG1 3.29Å; L375-I379 WeakPolarHBondContact O-CG1 3.38Å; L375-I379 PolarHBondContact O-N 3.34Å; L375-L398 HydrophobicContact CD2-CD2 4Å; L375-L398 HydrophobicContact CG-CD2 4.16Å; L375-L422 HydrophobicContact CD1-CB 3.99Å; L375-A423 HydrophobicContact CD1-CB 4.04Å; L375-A423 HydrophobicContact CD2-CB 4.37Å; L375-V426 HydrophobicContact CB-CG2 4.42Å
376L98.6Very high97.3Very high15 Ų1553.5 Ų53.58%0.07928%0.284CS..Hα-helixtrans-60.2-43.7178.5179.369.4000111.5N372 E373 R378 I379 N380 L387 P389 F396 L398N372-L376 WeakPolarHBondContact O-CB 3.48Å; N372-L376 PolarHBondContact O-N 3.47Å; E373-L376 PolarHBondContact O-N 3.22Å; L376-R378 PolarHBondContact O-N 3.43Å; L376-I379 PolarHBondContact O-N 3.08Å; L376-N380 PolarHBondContact O-N 3.31Å; L376-L387 HydrophobicContact CD1-CB 3.7Å; L376-P389 HydrophobicContact CD2-CB 3.79Å; L376-P389 HydrophobicContact CD2-CG 3.56Å; L376-F396 HydrophobicContact CB-CE1 4.36Å; L376-F396 HydrophobicContact CD2-CE1 4.14Å; L376-F396 HydrophobicContact CD2-CZ 3.78Å; L376-L398 HydrophobicContact CB-CD2 4.4Å; L376-L398 HydrophobicContact CB-CG 4.35Å; L376-L398 HydrophobicContact CD1-CD2 4.47Å; L376-L398 HydrophobicContact CD1-CG 4.37Å
377Q97.9Very high97.4Very high132 Ų13248.4 Ų48.462%0.61726%0.261SS*.Hα-helixtrans-57.8-49.2176.9-175.1-1792.400110.4E373 A374 L375 I379 N380 S381E373-Q377 WeakPolarHBondContact O-CB 3.34Å; E373-Q377 PolarHBondContact O-N 3.2Å; A374-Q377 PolarHBondContact O-N 2.91Å; L375-Q377 VanDerWaalsContact C-N 3.32Å; L375-Q377 PolarHBondContact O-N 3.17Å; Q377-I379 PolarHBondContact O-N 3.34Å; Q377-N380 PolarHBondContact O-N 2.92Å; Q377-S381 VanDerWaalsContact O-CB 3.26Å; Q377-S381 WeakPolarHBondContact O-CB 3.21Å; Q377-S381 PolarHBondContact O-N 3.45Å; Q377-S381 PolarHBondContact O-OG 2.89Å
378R97.9Very high97.5Very high94 Ų9446.5 Ų46.536%0.35524%0.238SC..Hα-helixtrans-62.1-40.5178-71.3-171.3-170.4-154.83.1112.8A374 L375 L376 A382 L422 V426A374-R378 WeakPolarHBondContact O-CG 3.28Å; A374-R378 PolarHBondContact O-N 3.41Å; L375-R378 PolarHBondContact O-N 3.33Å; L376-R378 PolarHBondContact O-N 3.43Å; R378-A382 VanDerWaalsContact O-CB 3.31Å; R378-A382 WeakPolarHBondContact O-CB 3.39Å; R378-A382 PolarHBondContact O-N 2.94Å; R378-L422 HydrophobicContact CB-CD1 4.36Å; R378-L422 HydrophobicContact CB-CD2 4.34Å; R378-V426 HydrophobicContact CG-CG2 4.48Å
379I98Very high97.6Very high0 Ų046.7 Ų46.70%024%0.238CC..Hα-helixtrans-58.9-53176.7-71.8165.2000110.4L375 L376 Q377 A382 K383 I385 L387 L398 I419 L422L375-I379 HydrophobicContact CD1-CD1 3.85Å; L375-I379 HydrophobicContact CD1-CG1 4.13Å; L375-I379 HydrophobicContact CD2-CD1 4.43Å; L375-I379 HydrophobicContact CG-CD1 3.75Å; L375-I379 HydrophobicContact CG-CG1 4.45Å; L375-I379 VanDerWaalsContact O-CG1 3.29Å; L375-I379 WeakPolarHBondContact O-CG1 3.38Å; L375-I379 PolarHBondContact O-N 3.34Å; L376-I379 PolarHBondContact O-N 3.08Å; Q377-I379 PolarHBondContact O-N 3.34Å; I379-A382 PolarHBondContact O-N 3.2Å; I379-K383 PolarHBondContact O-N 3.32Å; I379-I385 HydrophobicContact CG2-CD1 3.75Å; I379-I385 HydrophobicContact CG2-CG1 3.45Å; I379-I385 VanDerWaalsContact CG2-CG1 3.45Å; I379-L387 HydrophobicContact CD1-CD1 3.96Å; I379-L387 HydrophobicContact CG2-CD1 4.05Å; I379-L387 HydrophobicContact CG2-CG 4.19Å; I379-L398 HydrophobicContact CD1-CD2 3.89Å; I379-I419 HydrophobicContact CD1-CG1 3.96Å; I379-I419 HydrophobicContact CD1-CG2 4.44Å; I379-I419 HydrophobicContact CG1-CG1 4.5Å; I379-L422 HydrophobicContact CB-CD1 4.25Å; I379-L422 HydrophobicContact CG1-CD1 3.67Å
380N97.3Very high97.5Very high32 Ų3245.1 Ų45.117%0.17123%0.231CC..Hα-helixtrans-71.3-34-177.2-76.5-27.8000112.4L376 Q377 A382 K383 H386 L387L376-N380 PolarHBondContact O-N 3.31Å; Q377-N380 PolarHBondContact O-N 2.92Å; N380-A382 VanDerWaalsContact C-N 3.32Å; N380-K383 WeakPolarHBondContact O-CG 3.24Å; N380-K383 PolarHBondContact O-N 3.46Å; N380-K383 VanDerWaalsContact O-N 3.17Å; N380-H386 PolarHBondContact OD1-ND1 2.85Å; N380-L387 PolarHBondContact ND2-O 3.3Å; N380-L387 PolarHBondContact OD1-N 2.97Å; N380-L387 PolarHBondContact OD1-O 3.26Å
381S95.7Very high97.4Very high76 Ų7642.6 Ų42.653%0.53122%0.221SC..Hα-helixtrans-68.1-30.2174.1-66.20000113Q377 K383Q377-S381 VanDerWaalsContact O-CB 3.26Å; Q377-S381 WeakPolarHBondContact O-CB 3.21Å; Q377-S381 PolarHBondContact O-N 3.45Å; Q377-S381 PolarHBondContact O-OG 2.89Å; S381-K383 PolarHBondContact O-N 3Å
382A95.7Very high97.2Very high41 Ų4143.9 Ų43.934%0.33923%0.228SC..Hα-helixtrans-71.3-18.2173.300000112.7R378 I379 N380 K384 L422R378-A382 VanDerWaalsContact O-CB 3.31Å; R378-A382 WeakPolarHBondContact O-CB 3.39Å; R378-A382 PolarHBondContact O-N 2.94Å; I379-A382 PolarHBondContact O-N 3.2Å; N380-A382 VanDerWaalsContact C-N 3.32Å; A382-K384 PolarHBondContact O-N 3.34Å; A382-L422 HydrophobicContact CB-CD1 4.41Å
383K94Very high96.8Very high47 Ų4755.5 Ų55.520%0.20427%0.272CS..  trans58.59.4172.5-60.1158.3176.41630115.7Q28 D32 I379 N380 S381Q28-K383 HydrophobicContact CG-CB 3.72Å; D32-K383 HydrophobicContact CB-CD 4.47Å; D32-K383 IonicContact OD1-NZ 2.76Å; D32-K383 PolarHBondContact OD1-NZ 3.1Å; D32-K383 IonicContact OD2-NZ 3.78Å; D32-K383 PolarHBondContact OD2-NZ 3.34Å; I379-K383 PolarHBondContact O-N 3.32Å; N380-K383 WeakPolarHBondContact O-CG 3.24Å; N380-K383 PolarHBondContact O-N 3.46Å; N380-K383 VanDerWaalsContact O-N 3.17Å; S381-K383 PolarHBondContact O-N 3Å
384K95.1Very high96.5Very high129 Ų12957.1 Ų57.156%0.56128%0.283SS*.SBendtrans-76.5-36.4176.9-64.8-168.7-177177.70112.5Y75 A382Y75-K384 WeakPolarHBondContact CB-O 3.41Å; A382-K384 PolarHBondContact O-N 3.34Å
385I98Very high96.4Very high3 Ų360.2 Ų60.22%0.01529%0.291CS..SBendtrans-134.3162172.768.7177000108.5Y75 F77 I379 L387 A415 I419Y75-I385 HydrophobicContact CD1-CG2 3.89Å; Y75-I385 HydrophobicContact CG-CG2 4.36Å; Y75-I385 WeakPolarHBondContact O-CA 3.47Å; F77-I385 HydrophobicContact CD2-CB 4.23Å; F77-I385 HydrophobicContact CD2-CG2 4.45Å; F77-I385 HydrophobicContact CE2-CB 4.41Å; F77-I385 HydrophobicContact CE2-CG2 4.13Å; I379-I385 HydrophobicContact CG2-CD1 3.75Å; I379-I385 HydrophobicContact CG2-CG1 3.45Å; I379-I385 VanDerWaalsContact CG2-CG1 3.45Å; I385-L387 HydrophobicContact CD1-CD1 4.28Å; I385-L387 HydrophobicContact CD1-CG 4.33Å; I385-A415 HydrophobicContact CD1-CB 4.32Å; I385-A415 HydrophobicContact CG2-CB 3.96Å; I385-I419 HydrophobicContact CD1-CD1 3.9Å; I385-I419 HydrophobicContact CD1-CG1 3.8Å
386H98.3Very high96.4Very high10 Ų1061 Ų615%0.04630%0.295CS..BIsolated β-bridgetrans-123.3127.1174.6-173.446000111.4V29 Y30 Y75 F76 F77 A78 N380V29-H386 HydrophobicContact CG1-CB 3.83Å; Y30-H386 AromaticContact CD2-CD2 3.96Å; Y30-H386 AromaticContact CD2-CE1 3.48Å; Y30-H386 VanDerWaalsContact CD2-CE1 3.48Å; Y30-H386 WeakPolarHBondContact CD2-CE1 3.5Å; Y30-H386 AromaticContact CD2-CG 3.97Å; Y30-H386 AromaticContact CD2-ND1 3.68Å; Y30-H386 AromaticContact CD2-NE2 3.67Å; Y30-H386 AromaticContact CE2-CE1 3.65Å; Y30-H386 AromaticContact CE2-NE2 3.86Å; Y30-H386 AromaticContact CG-ND1 3.95Å; Y75-H386 PolarHBondContact O-N 3.21Å; Y75-H386 VanDerWaalsContact O-N 3.13Å; F76-H386 HydrophobicContact CD2-CB 4.47Å; F76-H386 AromaticContact CE2-CD2 3.74Å; F77-H386 CarbonylContact C-O 3.36Å; F77-H386 WeakPolarHBondContact CA-O 3.41Å; F77-H386 PolarHBondContact N-O 3.39Å; A78-H386 WeakPolarHBondContact CB-CD2 3.23Å; A78-H386 PolarHBondContact N-O 3.21Å; A78-H386 VanDerWaalsContact N-O 3.17Å; N380-H386 PolarHBondContact OD1-ND1 2.85Å
387L98.4Very high96.4Very high0 Ų060.3 Ų60.30%029%0.291CS..  trans-128.7158.7176.2-57.2179.1000110.4F77 F363 L376 I379 N380 I385 L398 R399 F400 I419F77-L387 HydrophobicContact CB-CD2 3.55Å; F77-L387 HydrophobicContact CG-CD2 4.48Å; F363-L387 HydrophobicContact CZ-CD1 4.48Å; L376-L387 HydrophobicContact CD1-CB 3.7Å; I379-L387 HydrophobicContact CD1-CD1 3.96Å; I379-L387 HydrophobicContact CG2-CD1 4.05Å; I379-L387 HydrophobicContact CG2-CG 4.19Å; N380-L387 PolarHBondContact ND2-O 3.3Å; N380-L387 PolarHBondContact OD1-N 2.97Å; N380-L387 PolarHBondContact OD1-O 3.26Å; I385-L387 HydrophobicContact CD1-CD1 4.28Å; I385-L387 HydrophobicContact CD1-CG 4.33Å; L387-L398 HydrophobicContact CD1-CD2 4.3Å; L387-R399 WeakPolarHBondContact CD2-O 3.25Å; L387-F400 HydrophobicContact CD2-CD2 3.74Å; L387-F400 HydrophobicContact CD2-CE2 4.44Å; L387-F400 HydrophobicContact CD2-CG 4.49Å; L387-I419 HydrophobicContact CD1-CD1 4.3Å
388V97.6Very high96.5Very high17 Ų1754 Ų5410%0.10326%0.262CS..EExtended strand (participates in β ladder)trans-130.4152.2170.5-66.40000109.9A78 Y79 R399A78-V388 HydrophobicContact CB-CG1 3.89Å; A78-V388 HydrophobicContact CB-CG2 4.21Å; Y79-V388 HydrophobicContact CD1-CG2 4.25Å; Y79-V388 HydrophobicContact CD2-CG1 4.41Å; Y79-V388 HydrophobicContact CE1-CG1 4.21Å; Y79-V388 HydrophobicContact CE1-CG2 4.44Å; Y79-V388 HydrophobicContact CE2-CG1 3.9Å; Y79-V388 HydrophobicContact CG-CG2 4.39Å; V388-R399 WeakPolarHBondContact O-CB 3.35Å; V388-R399 PolarHBondContact O-N 3.47Å
389P98.2Very high96.5Very high52 Ų5249.9 Ų49.934%0.33825%0.246SC..EExtended strand (participates in β ladder)trans-89172.1-179.933.7-25.7000112.1L376 F396 V397L376-P389 HydrophobicContact CD2-CB 3.79Å; L376-P389 HydrophobicContact CD2-CG 3.56Å; P389-F396 HydrophobicContact CB-CD1 4.36Å; P389-F396 HydrophobicContact CB-CD2 4.41Å; P389-F396 HydrophobicContact CB-CE1 3.63Å; P389-F396 HydrophobicContact CB-CE2 3.68Å; P389-F396 HydrophobicContact CB-CZ 3.25Å; P389-F396 HydrophobicContact CG-CE1 4.44Å; P389-F396 HydrophobicContact CG-CE2 3.89Å; P389-F396 HydrophobicContact CG-CZ 3.61Å; P389-V397 CarbonylContact C-O 3.47Å; P389-V397 WeakPolarHBondContact CA-O 3.43Å; P389-V397 WeakPolarHBondContact CB-O 3.43Å
390C97.2Very high96.5Very high12 Ų1249.9 Ų49.98%0.08125%0.246CC..EExtended strand (participates in β ladder)trans-137.8173.2153.662.50000110.3T199 V397 R399T199-C390 HydrophobicContact CG2-CB 4.33Å; T199-C390 PolarHBondContact O-SG 3.31Å; C390-V397 PolarHBondContact N-O 3.29Å; C390-V397 PolarHBondContact O-N 3.5Å; C390-R399 HydrophobicContact CB-CG 4.37Å
391H95.6Very high96.6Very high110 Ų11048.3 Ų48.351%0.50924%0.238SC..EExtended strand (participates in β ladder)trans-108.6128.2167.8-73.881.9000109.3K395 F396H391-K395 WeakPolarHBondContact CA-O 3.45Å; H391-F396 AromaticContact CE1-CD2 3.68Å; H391-F396 AromaticContact NE2-CD2 3.66Å
392L93.7Very high96.7Very high33 Ų3344.7 Ų44.717%0.17321%0.212CC..EExtended strand (participates in β ladder)trans-110.398.7169.4-60.1-174.8000107.5C200 C353 V354 D394 K395 V397C200-L392 HydrophobicContact CB-CD1 4.37Å; C200-L392 HydrophobicContact CB-CD2 3.86Å; C353-L392 HydrophobicContact CB-CD1 3.91Å; V354-L392 HydrophobicContact CG1-CD1 3.61Å; L392-D394 PolarHBondContact O-N 2.87Å; L392-K395 PolarHBondContact N-O 3.13Å; L392-K395 WeakPolarHBondContact O-CB 3.38Å; L392-K395 PolarHBondContact O-N 3.46Å; L392-K395 VanDerWaalsContact O-N 3.08Å; L392-V397 HydrophobicContact CB-CG2 4.3Å; L392-V397 HydrophobicContact CD1-CG1 4.41Å; L392-V397 HydrophobicContact CD1-CG2 4.08Å; L392-V397 HydrophobicContact CG-CB 4.49Å; L392-V397 HydrophobicContact CG-CG2 4.06Å
393R89.4Confident96.8Very high243 Ų24343 Ų4392%0.91720%0.197SC*.THydrogen-bonded Turntrans55.9-119.6-164.3-55.1177.5-179.5171.80.1109.7
394D93Very high97Very high123 Ų12340.9 Ų40.966%0.65819%0.189SC*.THydrogen-bonded Turntrans-88.82-179.962.5-41000113.7N369 L392N369-D394 PolarHBondContact ND2-O 3.37Å; L392-D394 PolarHBondContact O-N 2.87Å
395K96.9Very high97Very high95 Ų9537.9 Ų37.941%0.41317%0.174SC..EExtended strand (participates in β ladder)trans-99.2123.2-175.6-70.7-171.4-179.9-170.10112.3H391 L392 V397H391-K395 WeakPolarHBondContact CA-O 3.45Å; L392-K395 PolarHBondContact N-O 3.13Å; L392-K395 WeakPolarHBondContact O-CB 3.38Å; L392-K395 PolarHBondContact O-N 3.46Å; L392-K395 VanDerWaalsContact O-N 3.08Å; K395-V397 HydrophobicContact CB-CG2 4.25Å
396F98.4Very high96.9Very high18 Ų1840.3 Ų40.38%0.07919%0.189CC..EExtended strand (participates in β ladder)trans-73.5127.6165.9-169.5-82.6000110.1R364 N369 N372 E373 L376 P389 H391 L398R364-F396 PolarHBondContact NH1-O 3.29Å; N369-F396 HydrophobicContact CB-CB 3.76Å; N369-F396 PolarHBondContact OD1-N 3.2Å; N372-F396 HydrophobicContact CB-CD1 3.74Å; N372-F396 HydrophobicContact CB-CE1 4.38Å; E373-F396 HydrophobicContact CB-CZ 4.45Å; E373-F396 HydrophobicContact CG-CD1 4.14Å; E373-F396 HydrophobicContact CG-CD2 3.7Å; E373-F396 HydrophobicContact CG-CE1 4.04Å; E373-F396 HydrophobicContact CG-CE2 3.61Å; E373-F396 HydrophobicContact CG-CG 3.96Å; E373-F396 HydrophobicContact CG-CZ 3.76Å; L376-F396 HydrophobicContact CB-CE1 4.36Å; L376-F396 HydrophobicContact CD2-CE1 4.14Å; L376-F396 HydrophobicContact CD2-CZ 3.78Å; P389-F396 HydrophobicContact CB-CD1 4.36Å; P389-F396 HydrophobicContact CB-CD2 4.41Å; P389-F396 HydrophobicContact CB-CE1 3.63Å; P389-F396 HydrophobicContact CB-CE2 3.68Å; P389-F396 HydrophobicContact CB-CZ 3.25Å; P389-F396 HydrophobicContact CG-CE1 4.44Å; P389-F396 HydrophobicContact CG-CE2 3.89Å; P389-F396 HydrophobicContact CG-CZ 3.61Å; H391-F396 AromaticContact CE1-CD2 3.68Å; H391-F396 AromaticContact NE2-CD2 3.66Å; F396-L398 HydrophobicContact CD1-CD1 4.31Å; F396-L398 HydrophobicContact CE1-CD1 4.14Å
397V98.4Very high96.9Very high0 Ų039.8 Ų39.80%019%0.187CC..EExtended strand (participates in β ladder)trans-135.3137.5-170.6176.70000110C353 C362 P389 C390 L392 K395C353-V397 HydrophobicContact CB-CG1 4.04Å; C353-V397 HydrophobicContact CB-CG2 4.21Å; C362-V397 HydrophobicContact CB-CG1 3.75Å; P389-V397 CarbonylContact C-O 3.47Å; P389-V397 WeakPolarHBondContact CA-O 3.43Å; P389-V397 WeakPolarHBondContact CB-O 3.43Å; C390-V397 PolarHBondContact N-O 3.29Å; C390-V397 PolarHBondContact O-N 3.5Å; L392-V397 HydrophobicContact CB-CG2 4.3Å; L392-V397 HydrophobicContact CD1-CG1 4.41Å; L392-V397 HydrophobicContact CD1-CG2 4.08Å; L392-V397 HydrophobicContact CG-CB 4.49Å; L392-V397 HydrophobicContact CG-CG2 4.06Å; K395-V397 HydrophobicContact CB-CG2 4.25Å
398L98.8Very high96.9Very high0 Ų044.2 Ų44.20%021%0.207CC..EExtended strand (participates in β ladder)trans-86.8140.9174.1-75.369.3000109.3C362 F363 N372 L375 L376 I379 L387 F396C362-L398 WeakPolarHBondContact CA-O 3.32Å; F363-L398 HydrophobicContact CD1-CB 4.16Å; F363-L398 WeakPolarHBondContact CD1-O 3.44Å; F363-L398 HydrophobicContact CE1-CB 3.69Å; F363-L398 HydrophobicContact CE2-CD2 4.46Å; F363-L398 HydrophobicContact CZ-CB 3.88Å; F363-L398 HydrophobicContact CZ-CD2 4.04Å; F363-L398 PolarHBondContact N-O 3.46Å; F363-L398 PolarHBondContact O-N 3.14Å; N372-L398 HydrophobicContact CB-CD1 3.91Å; L375-L398 HydrophobicContact CD2-CD2 4Å; L375-L398 HydrophobicContact CG-CD2 4.16Å; L376-L398 HydrophobicContact CB-CD2 4.4Å; L376-L398 HydrophobicContact CB-CG 4.35Å; L376-L398 HydrophobicContact CD1-CD2 4.47Å; L376-L398 HydrophobicContact CD1-CG 4.37Å; I379-L398 HydrophobicContact CD1-CD2 3.89Å; L387-L398 HydrophobicContact CD1-CD2 4.3Å; F396-L398 HydrophobicContact CD1-CD1 4.31Å; F396-L398 HydrophobicContact CE1-CD1 4.14Å
399R98.8Very high97Very high6 Ų645.3 Ų45.32%0.02322%0.216CC..EExtended strand (participates in β ladder)trans-110.8128.5178.1-65.8171.769.5-98.1-1.5110.1Y79 T198 T199 L360 L387 V388 C390Y79-R399 PolarHBondContact O-NH1 3.36Å; Y79-R399 VanDerWaalsContact O-NH1 3.09Å; Y79-R399 PolarHBondContact O-NH2 3.12Å; T198-R399 VanDerWaalsContact O-CZ 3.23Å; T198-R399 PolarHBondContact O-NE 2.87Å; T198-R399 VanDerWaalsContact O-NE 3.15Å; T198-R399 PolarHBondContact O-NH2 3.28Å; T199-R399 VanDerWaalsContact O-CD 3.29Å; T199-R399 WeakPolarHBondContact O-CD 3.45Å; T199-R399 PolarHBondContact O-NE 2.91Å; L360-R399 HydrophobicContact CD1-CB 3.87Å; L360-R399 HydrophobicContact CD1-CG 4.35Å; L387-R399 WeakPolarHBondContact CD2-O 3.25Å; V388-R399 WeakPolarHBondContact O-CB 3.35Å; V388-R399 PolarHBondContact O-N 3.47Å; C390-R399 HydrophobicContact CB-CG 4.37Å
400F98.8Very high97Very high0 Ų045.3 Ų45.30%022%0.22CC..EExtended strand (participates in β ladder)trans-117.398.6174-167.4-86.9000109.2F77 F340 V361 F363 L387 I402 V412 A415 I419F77-F400 HydrophobicContact CB-CD2 4.03Å; F77-F400 HydrophobicContact CB-CE2 4.09Å; F77-F400 HydrophobicContact CB-CG 4.34Å; F77-F400 HydrophobicContact CB-CZ 4.46Å; F77-F400 HydrophobicContact CD1-CD1 4.17Å; F77-F400 HydrophobicContact CD1-CD2 4.43Å; F77-F400 AromaticContact CD1-CE1 3.58Å; F77-F400 HydrophobicContact CD1-CE1 3.58Å; F77-F400 AromaticContact CD1-CE2 3.86Å; F77-F400 HydrophobicContact CD1-CE2 3.86Å; F77-F400 AromaticContact CD1-CZ 3.4Å; F77-F400 HydrophobicContact CD1-CZ 3.4Å; F77-F400 VanDerWaalsContact CD1-CZ 3.4Å; F77-F400 HydrophobicContact CD2-CD2 4.28Å; F77-F400 AromaticContact CD2-CE2 3.54Å; F77-F400 HydrophobicContact CD2-CE2 3.54Å; F77-F400 AromaticContact CD2-CZ 3.79Å; F77-F400 HydrophobicContact CD2-CZ 3.79Å; F77-F400 AromaticContact CE1-CE1 3.7Å; F77-F400 HydrophobicContact CE1-CE1 3.7Å; F77-F400 HydrophobicContact CE1-CE2 4.12Å; F77-F400 AromaticContact CE1-CZ 3.35Å; F77-F400 HydrophobicContact CE1-CZ 3.35Å; F77-F400 AromaticContact CE2-CE2 3.8Å; F77-F400 HydrophobicContact CE2-CE2 3.8Å; F77-F400 AromaticContact CE2-CZ 3.73Å; F77-F400 HydrophobicContact CE2-CZ 3.73Å; F77-F400 HydrophobicContact CG-CD2 4.02Å; F77-F400 HydrophobicContact CG-CE1 4.13Å; F77-F400 AromaticContact CG-CE2 3.57Å; F77-F400 HydrophobicContact CG-CE2 3.57Å; F77-F400 HydrophobicContact CG-CG 4.47Å; F77-F400 AromaticContact CG-CZ 3.64Å; F77-F400 HydrophobicContact CG-CZ 3.64Å; F77-F400 HydrophobicContact CZ-CE1 4.31Å; F77-F400 HydrophobicContact CZ-CE2 4.09Å; F77-F400 AromaticContact CZ-CZ 3.52Å; F77-F400 HydrophobicContact CZ-CZ 3.52Å; F340-F400 HydrophobicContact CB-CD1 4.29Å; F340-F400 HydrophobicContact CB-CE1 4.21Å; F340-F400 HydrophobicContact CD1-CB 4Å; F340-F400 AromaticContact CD1-CD1 3.7Å; F340-F400 HydrophobicContact CD1-CD1 3.7Å; F340-F400 HydrophobicContact CD1-CE1 4.29Å; F340-F400 AromaticContact CD1-CG 3.85Å; F340-F400 HydrophobicContact CD1-CG 3.85Å; F340-F400 AromaticContact CD2-CD1 4Å; F340-F400 HydrophobicContact CD2-CD1 4Å; F340-F400 HydrophobicContact CD2-CD2 4.32Å; F340-F400 AromaticContact CD2-CE1 3.79Å; F340-F400 HydrophobicContact CD2-CE1 3.79Å; F340-F400 HydrophobicContact CD2-CE2 4.15Å; F340-F400 HydrophobicContact CD2-CG 4.25Å; F340-F400 AromaticContact CD2-CZ 3.87Å; F340-F400 HydrophobicContact CD2-CZ 3.87Å; F340-F400 HydrophobicContact CE1-CB 3.54Å; F340-F400 AromaticContact CE1-CD1 3.97Å; F340-F400 HydrophobicContact CE1-CD1 3.97Å; F340-F400 HydrophobicContact CE1-CD2 4.06Å; F340-F400 AromaticContact CE1-CG 3.6Å; F340-F400 HydrophobicContact CE1-CG 3.6Å; F340-F400 HydrophobicContact CE2-CD1 4.24Å; F340-F400 AromaticContact CE2-CD2 3.78Å; F340-F400 HydrophobicContact CE2-CD2 3.78Å; F340-F400 HydrophobicContact CE2-CE1 4.22Å; F340-F400 AromaticContact CE2-CE2 3.78Å; F340-F400 HydrophobicContact CE2-CE2 3.78Å; F340-F400 HydrophobicContact CE2-CG 4.02Å; F340-F400 HydrophobicContact CE2-CZ 4Å; F340-F400 AromaticContact CG-CD1 3.71Å; F340-F400 HydrophobicContact CG-CD1 3.71Å; F340-F400 AromaticContact CG-CE1 3.82Å; F340-F400 HydrophobicContact CG-CE1 3.82Å; F340-F400 HydrophobicContact CG-CG 4.17Å; F340-F400 HydrophobicContact CG-CZ 4.38Å; F340-F400 HydrophobicContact CZ-CB 3.97Å; F340-F400 HydrophobicContact CZ-CD1 4.23Å; F340-F400 AromaticContact CZ-CD2 3.64Å; F340-F400 HydrophobicContact CZ-CD2 3.64Å; F340-F400 HydrophobicContact CZ-CE2 4.14Å; F340-F400 AromaticContact CZ-CG 3.69Å; F340-F400 HydrophobicContact CZ-CG 3.69Å; V361-F400 HydrophobicContact CB-CB 4.44Å; V361-F400 PolarHBondContact N-O 3.24Å; V361-F400 PolarHBondContact O-N 3.45Å; F363-F400 HydrophobicContact CD1-CB 4.45Å; F363-F400 HydrophobicContact CE1-CB 4.03Å; L387-F400 HydrophobicContact CD2-CD2 3.74Å; L387-F400 HydrophobicContact CD2-CE2 4.44Å; L387-F400 HydrophobicContact CD2-CG 4.49Å; F400-I402 HydrophobicContact CD1-CD1 4.03Å; F400-I402 HydrophobicContact CE1-CD1 3.55Å; F400-V412 HydrophobicContact CE1-CG1 4.49Å; F400-A415 HydrophobicContact CE2-CB 3.93Å; F400-A415 HydrophobicContact CZ-CB 4.06Å; F400-I419 HydrophobicContact CD2-CD1 4.36Å; F400-I419 HydrophobicContact CE2-CD1 4.38Å
401A98.6Very high97.1Very high0 Ų045.4 Ų45.40%022%0.219CC..EExtended strand (participates in β ladder)trans-100.7128.9-179.900000111.1F77 Y79 G359 L360 C403F77-A401 VanDerWaalsContact CA-O 3.24Å; F77-A401 WeakPolarHBondContact CA-O 3.29Å; F77-A401 WeakPolarHBondContact CD1-O 3.37Å; F77-A401 PolarHBondContact O-N 3.32Å; Y79-A401 WeakPolarHBondContact O-CB 3.26Å; G359-A401 CarbonylContact O-C 3.56Å; G359-A401 WeakPolarHBondContact O-CA 3.27Å; L360-A401 HydrophobicContact CD1-CB 4.06Å; A401-C403 PolarHBondContact O-N 3.28Å; A401-C403 VanDerWaalsContact O-N 3.11Å; A401-C403 PolarHBondContact O-SG 3.02Å; A401-C403 VanDerWaalsContact O-SG 3.35Å
402I98.6Very high97.2Very high0 Ų040.1 Ų40.10%020%0.195CC..  trans-76.2101176.6-54-62.4000109.5F77 H333 L336 G359 F400 V407 V412F77-I402 HydrophobicContact CE1-CD1 4.42Å; H333-I402 HydrophobicContact CB-CB 4.33Å; H333-I402 HydrophobicContact CB-CG2 3.98Å; H333-I402 PolarHBondContact ND1-O 3.24Å; L336-I402 HydrophobicContact CB-CD1 4.07Å; L336-I402 HydrophobicContact CB-CG1 4.2Å; L336-I402 HydrophobicContact CB-CG2 4.25Å; L336-I402 HydrophobicContact CD1-CG2 4.23Å; G359-I402 PolarHBondContact O-N 3.21Å; F400-I402 HydrophobicContact CD1-CD1 4.03Å; F400-I402 HydrophobicContact CE1-CD1 3.55Å; I402-V407 HydrophobicContact CG2-CG1 3.44Å; I402-V407 VanDerWaalsContact CG2-CG1 3.44Å; I402-V407 HydrophobicContact CG2-CG2 4.47Å; I402-V412 HydrophobicContact CD1-CG2 4.07Å
403C97.8Very high97.5Very high4 Ų443 Ų433%0.02721%0.207CC..  trans-101-60-169.6-64.80000116.1F76 P81 H333 A401F76-C403 HydrophobicContact CD1-CB 3.88Å; F76-C403 HydrophobicContact CE1-CB 4.48Å; F76-C403 WeakPolarHBondContact O-CB 3.27Å; P81-C403 HydrophobicContact CB-CB 3.87Å; P81-C403 WeakPolarHBondContact CB-O 3.35Å; P81-C403 HydrophobicContact CG-CB 4.26Å; H333-C403 PolarHBondContact CE1-O 3.34Å; A401-C403 PolarHBondContact O-N 3.28Å; A401-C403 VanDerWaalsContact O-N 3.11Å; A401-C403 PolarHBondContact O-SG 3.02Å; A401-C403 VanDerWaalsContact O-SG 3.35Å
404S96.8Very high97.9Very high4 Ų437 Ų373%0.02819%0.185CC..  trans-64.9146.1-169.5178.70000112.8H72 S73 H333 T406 V407H72-S404 WeakPolarHBondContact O-CB 3.19Å; H72-S404 PolarHBondContact O-OG 3.01Å; S73-S404 WeakPolarHBondContact O-CB 3.29Å; H333-S404 PolarHBondContact CE1-O 3.01Å; H333-S404 VanDerWaalsContact CE1-O 3.3Å; H333-S404 PolarHBondContact NE2-O 2.93Å; S404-T406 PolarHBondContact O-N 3.36Å; S404-T406 PolarHBondContact OG-N 3.42Å; S404-T406 VanDerWaalsContact OG-N 3.14Å; S404-T406 PolarHBondContact OG-OG1 2.9Å; S404-T406 VanDerWaalsContact OG-OG1 3.05Å; S404-V407 WeakPolarHBondContact O-CG1 3.18Å; S404-V407 PolarHBondContact O-N 3.39Å
405R95.6Very high98.2Very high66 Ų6631.1 Ų31.125%0.24915%0.154CC..THydrogen-bonded Turntrans-63.6-27.2171.5-177-178.659.272.8-0.6113L258 Y329L258-R405 HydrophobicContact CD2-CB 4.27Å; L258-R405 HydrophobicContact CD2-CG 3.94Å; Y329-R405 HydrophobicContact CE2-CB 4.3Å; Y329-R405 HydrophobicContact CE2-CG 4.17Å
406T96.2Very high98.3Very high53 Ų5326.9 Ų26.933%0.32514%0.135SC..THydrogen-bonded Turntrans-99.56.5-177560000112.8S404S404-T406 PolarHBondContact O-N 3.36Å; S404-T406 PolarHBondContact OG-N 3.42Å; S404-T406 VanDerWaalsContact OG-N 3.14Å; S404-T406 PolarHBondContact OG-OG1 2.9Å; S404-T406 VanDerWaalsContact OG-OG1 3.05Å
407V98.1Very high98.3Very high0 Ų030.1 Ų30.10%015%0.15CC..  trans-62.3142.7174.271.10000110.3P74 F77 K332 L336 I402 S404 H411 V412P74-V407 HydrophobicContact CB-CB 4.47Å; F77-V407 HydrophobicContact CE1-CG2 4.07Å; K332-V407 WeakPolarHBondContact CE-O 3.23Å; K332-V407 PolarHBondContact NZ-O 2.97Å; L336-V407 HydrophobicContact CD1-CG1 3.75Å; L336-V407 HydrophobicContact CD1-CG2 4.46Å; I402-V407 HydrophobicContact CG2-CG1 3.44Å; I402-V407 VanDerWaalsContact CG2-CG1 3.44Å; I402-V407 HydrophobicContact CG2-CG2 4.47Å; S404-V407 WeakPolarHBondContact O-CG1 3.18Å; S404-V407 PolarHBondContact O-N 3.39Å; V407-H411 HydrophobicContact CG2-CB 4.06Å; V407-V412 HydrophobicContact CG2-CG2 4.42Å
408E98.6Very high98.3Very high92 Ų9230.9 Ų30.943%0.4315%0.154SC..  trans-141.7166.1-176.2-62.5-61.4164.500108.3K332 A410 H411 V412K332-E408 WeakPolarHBondContact CE-OE2 3.41Å; K332-E408 IonicContact NZ-OE1 2.88Å; K332-E408 PolarHBondContact NZ-OE1 3.18Å; K332-E408 IonicContact NZ-OE2 2.66Å; K332-E408 PolarHBondContact NZ-OE2 3.16Å; E408-A410 PolarHBondContact O-N 3.07Å; E408-H411 PolarHBondContact N-ND1 3.38Å; E408-H411 WeakPolarHBondContact O-CB 3.14Å; E408-H411 PolarHBondContact O-N 3.11Å; E408-V412 PolarHBondContact O-N 3.07Å
409S98.8Very high98.3Very high40 Ų4030.9 Ų30.928%0.2815%0.154SC..Hα-helixtrans-51.8-42.4177.3166.40000112.4E339 H411 V412 Q413E339-S409 VanDerWaalsContact CD-OG 3.26Å; E339-S409 PolarHBondContact OE1-OG 3.12Å; E339-S409 VanDerWaalsContact OE2-CB 3.25Å; E339-S409 WeakPolarHBondContact OE2-CB 3.12Å; E339-S409 PolarHBondContact OE2-OG 3.05Å; E339-S409 VanDerWaalsContact OE2-OG 3.14Å; S409-H411 PolarHBondContact O-N 2.96Å; S409-V412 PolarHBondContact O-N 2.71Å; S409-V412 VanDerWaalsContact O-N 3.08Å; S409-Q413 WeakPolarHBondContact O-CG 3.16Å; S409-Q413 PolarHBondContact O-N 3.29Å; S409-Q413 PolarHBondContact OG-NE2 3.2Å; S409-Q413 VanDerWaalsContact OG-NE2 3.07Å
410A98.7Very high98.3Very high53 Ų5333 Ų3344%0.43816%0.163SC..Hα-helixtrans-60.5-28.3176.800000113.9E408 R414E408-A410 PolarHBondContact O-N 3.07Å; A410-R414 WeakPolarHBondContact O-CB 3.28Å; A410-R414 WeakPolarHBondContact O-CG 3.37Å; A410-R414 PolarHBondContact O-N 3.19Å; A410-R414 PolarHBondContact O-NE 2.89Å; A410-R414 VanDerWaalsContact O-NE 3.12Å
411H98.8Very high98.3Very high13 Ų1338.2 Ų38.26%0.0619%0.188CC..Hα-helixtrans-74.8-43.5174.6-58.2110.2000111E25 P74 Y75 V407 E408 S409 R414 A415E25-H411 IonicContact OE1-CD2 2.93Å; E25-H411 IonicContact OE1-NE2 2.63Å; E25-H411 IonicContact OE2-NE2 3.31Å; E25-H411 PolarHBondContact OE2-NE2 3.12Å; P74-H411 HydrophobicContact CB-CB 4.31Å; Y75-H411 HydrophobicContact CE1-CB 4.31Å; Y75-H411 AromaticContact CZ-CD2 3.87Å; V407-H411 HydrophobicContact CG2-CB 4.06Å; E408-H411 PolarHBondContact N-ND1 3.38Å; E408-H411 WeakPolarHBondContact O-CB 3.14Å; E408-H411 PolarHBondContact O-N 3.11Å; S409-H411 PolarHBondContact O-N 2.96Å; H411-R414 PolarHBondContact CD2-NH2 3.06Å; H411-R414 PolarHBondContact NE2-NH2 2.76Å; H411-R414 PolarHBondContact O-N 3.45Å; H411-A415 WeakPolarHBondContact O-CB 3.37Å; H411-A415 PolarHBondContact O-N 2.92Å
412V98.9Very high98.2Very high0 Ų039.2 Ų39.20%019%0.193CC..Hα-helixtrans-61.2-46.7177.2176.60000110.8L336 F340 L343 F400 I402 V407 E408 S409 A415 W416L336-V412 HydrophobicContact CB-CG2 4.21Å; L336-V412 HydrophobicContact CD2-CG2 4.18Å; F340-V412 HydrophobicContact CB-CG1 3.69Å; F340-V412 HydrophobicContact CD2-CG1 3.93Å; F340-V412 HydrophobicContact CG-CG1 4.29Å; L343-V412 HydrophobicContact CD1-CG1 4.38Å; F400-V412 HydrophobicContact CE1-CG1 4.49Å; I402-V412 HydrophobicContact CD1-CG2 4.07Å; V407-V412 HydrophobicContact CG2-CG2 4.42Å; E408-V412 PolarHBondContact O-N 3.07Å; S409-V412 PolarHBondContact O-N 2.71Å; S409-V412 VanDerWaalsContact O-N 3.08Å; V412-A415 PolarHBondContact O-N 3.41Å; V412-W416 WeakPolarHBondContact O-CB 3.13Å; V412-W416 PolarHBondContact O-N 3.33Å
413Q98.8Very high98.2Very high92 Ų9239.2 Ų39.243%0.4319%0.193SC..Hα-helixtrans-62.9-47.3177.4-68.6-179.223.900111.9E339 L343 S409 A415 W416 E417E339-Q413 PolarHBondContact OE1-NE2 3.05Å; L343-Q413 HydrophobicContact CD1-CG 4.32Å; S409-Q413 WeakPolarHBondContact O-CG 3.16Å; S409-Q413 PolarHBondContact O-N 3.29Å; S409-Q413 PolarHBondContact OG-NE2 3.2Å; S409-Q413 VanDerWaalsContact OG-NE2 3.07Å; Q413-A415 VanDerWaalsContact C-N 3.32Å; Q413-A415 PolarHBondContact O-N 2.76Å; Q413-W416 PolarHBondContact O-N 2.92Å; Q413-E417 WeakPolarHBondContact O-CG 3.3Å; Q413-E417 PolarHBondContact O-N 3.43Å
414R98.6Very high98.2Very high117 Ų11740.3 Ų40.344%0.44220%0.202SC..Hα-helixtrans-59.7-41.5176.3-77.5-175.3-75.4174.12112.1E25 Y75 A410 H411 H418E25-R414 IonicContact OE1-CZ 3.24Å; E25-R414 IonicContact OE1-NH1 3.7Å; E25-R414 PolarHBondContact OE1-NH1 2.67Å; E25-R414 VanDerWaalsContact OE1-NH1 3.11Å; E25-R414 IonicContact OE1-NH2 3.86Å; E25-R414 PolarHBondContact OE1-NH2 3.17Å; Y75-R414 HydrophobicContact CE1-CB 4.33Å; Y75-R414 PolarHBondContact OH-NE 3.37Å; Y75-R414 PolarHBondContact OH-NH1 3.13Å; Y75-R414 PolarHBondContact OH-NH2 2.9Å; A410-R414 WeakPolarHBondContact O-CB 3.28Å; A410-R414 WeakPolarHBondContact O-CG 3.37Å; A410-R414 PolarHBondContact O-N 3.19Å; A410-R414 PolarHBondContact O-NE 2.89Å; A410-R414 VanDerWaalsContact O-NE 3.12Å; H411-R414 PolarHBondContact CD2-NH2 3.06Å; H411-R414 PolarHBondContact NE2-NH2 2.76Å; H411-R414 PolarHBondContact O-N 3.45Å; R414-H418 PolarHBondContact O-N 2.9Å; R414-H418 VanDerWaalsContact O-N 3.13Å
415A98.7Very high98.2Very high1 Ų142.7 Ų42.71%0.00822%0.215CC..Hα-helixtrans-63.9-42.117600000111.7F77 I385 F400 H411 V412 Q413 H418 I419F77-A415 HydrophobicContact CD2-CB 4.47Å; F77-A415 HydrophobicContact CE2-CB 3.63Å; F77-A415 HydrophobicContact CZ-CB 4.07Å; I385-A415 HydrophobicContact CD1-CB 4.32Å; I385-A415 HydrophobicContact CG2-CB 3.96Å; F400-A415 HydrophobicContact CE2-CB 3.93Å; F400-A415 HydrophobicContact CZ-CB 4.06Å; H411-A415 WeakPolarHBondContact O-CB 3.37Å; H411-A415 PolarHBondContact O-N 2.92Å; V412-A415 PolarHBondContact O-N 3.41Å; Q413-A415 VanDerWaalsContact C-N 3.32Å; Q413-A415 PolarHBondContact O-N 2.76Å; A415-H418 PolarHBondContact O-N 3.42Å; A415-I419 WeakPolarHBondContact O-CD1 3.3Å; A415-I419 VanDerWaalsContact O-CG1 3.27Å; A415-I419 WeakPolarHBondContact O-CG1 3.49Å; A415-I419 PolarHBondContact O-N 2.87Å
416W98.9Very high98.2Very high5 Ų540 Ų402%0.01921%0.205CC..Hα-helixtrans-65.3-44.9177.4177-120.6000113.2F340 L343 V344 D347 F350 F363 V412 Q413 H418 I419 K420F340-W416 HydrophobicContact CD2-CB 4.39Å; F340-W416 HydrophobicContact CE2-CB 4.18Å; F340-W416 HydrophobicContact CE2-CD2 4.4Å; F340-W416 AromaticContact CE2-CE3 3.77Å; F340-W416 HydrophobicContact CE2-CE3 3.77Å; F340-W416 HydrophobicContact CZ-CE3 4.05Å; F340-W416 HydrophobicContact CZ-CZ3 4.45Å; L343-W416 HydrophobicContact CB-CD2 4.23Å; L343-W416 HydrophobicContact CB-CG 3.96Å; L343-W416 HydrophobicContact CD1-CB 4.03Å; L343-W416 HydrophobicContact CD1-CG 4.06Å; L343-W416 WeakPolarHBondContact O-CZ2 3.48Å; V344-W416 HydrophobicContact CB-CH2 4.25Å; V344-W416 HydrophobicContact CB-CZ3 4.5Å; V344-W416 HydrophobicContact CG2-CE3 4.12Å; V344-W416 HydrophobicContact CG2-CH2 3.89Å; V344-W416 HydrophobicContact CG2-CZ3 3.66Å; D347-W416 HydrophobicContact CB-CH2 4.29Å; D347-W416 HydrophobicContact CB-CZ2 3.75Å; F350-W416 HydrophobicContact CD1-CH2 4.32Å; F350-W416 AromaticContact CD2-CH2 3.61Å; F350-W416 HydrophobicContact CD2-CH2 3.61Å; F350-W416 HydrophobicContact CD2-CZ2 4.39Å; F350-W416 HydrophobicContact CD2-CZ3 4.49Å; F350-W416 HydrophobicContact CE1-CH2 4.35Å; F350-W416 HydrophobicContact CE1-CZ3 4.34Å; F350-W416 AromaticContact CE2-CH2 3.64Å; F350-W416 HydrophobicContact CE2-CH2 3.64Å; F350-W416 HydrophobicContact CE2-CZ2 4.41Å; F350-W416 HydrophobicContact CE2-CZ3 4.29Å; F350-W416 AromaticContact CG-CH2 3.94Å; F350-W416 HydrophobicContact CG-CH2 3.94Å; F350-W416 HydrophobicContact CZ-CH2 4Å; F350-W416 HydrophobicContact CZ-CZ3 4.19Å; F363-W416 HydrophobicContact CE2-CZ3 4.36Å; V412-W416 WeakPolarHBondContact O-CB 3.13Å; V412-W416 PolarHBondContact O-N 3.33Å; Q413-W416 PolarHBondContact O-N 2.92Å; W416-H418 VanDerWaalsContact C-N 3.27Å; W416-H418 PolarHBondContact O-N 3.2Å; W416-I419 HydrophobicContact CE3-CB 4.13Å; W416-I419 HydrophobicContact CE3-CD1 4.43Å; W416-I419 HydrophobicContact CE3-CG2 4.08Å; W416-I419 HydrophobicContact CZ3-CB 4.42Å; W416-I419 HydrophobicContact CZ3-CG2 3.86Å; W416-I419 PolarHBondContact O-N 2.94Å; W416-I419 VanDerWaalsContact O-N 3.15Å; W416-K420 HydrophobicContact CD2-CD 4.41Å; W416-K420 HydrophobicContact CD2-CG 4.02Å; W416-K420 HydrophobicContact CE3-CG 4.47Å; W416-K420 HydrophobicContact CH2-CG 4.09Å; W416-K420 HydrophobicContact CZ2-CD 3.83Å; W416-K420 HydrophobicContact CZ2-CG 3.6Å; W416-K420 HydrophobicContact CZ3-CG 4.49Å; W416-K420 PolarHBondContact O-N 3.14Å
417E98.8Very high98.2Very high86 Ų8638.7 Ų38.740%0.40220%0.196SC..Hα-helixtrans-56.5-45.2174.4-69.2-50.3136.100111Q413 I419 K420 E421Q413-E417 WeakPolarHBondContact O-CG 3.3Å; Q413-E417 PolarHBondContact O-N 3.43Å; E417-I419 VanDerWaalsContact C-N 3.35Å; E417-I419 PolarHBondContact O-N 3.28Å; E417-K420 PolarHBondContact O-N 3.16Å; E417-K420 VanDerWaalsContact OE1-CE 3.23Å; E417-K420 WeakPolarHBondContact OE1-CE 3.47Å; E417-K420 IonicContact OE1-NZ 3.87Å; E417-K420 PolarHBondContact OE1-NZ 3.35Å; E417-K420 WeakPolarHBondContact OE2-CE 3.4Å; E417-K420 IonicContact OE2-NZ 3.15Å; E417-K420 PolarHBondContact OE2-NZ 3.47Å; E417-E421 WeakPolarHBondContact O-CG 3.49Å; E417-E421 PolarHBondContact O-N 2.88Å
418H98.5Very high97.9Very high16 Ų1645 Ų457%0.07422%0.22CC..Hα-helixtrans-60.8-41.5176.7-173.944.9000112.9R414 A415 W416 L422R414-H418 PolarHBondContact O-N 2.9Å; R414-H418 VanDerWaalsContact O-N 3.13Å; A415-H418 PolarHBondContact O-N 3.42Å; W416-H418 VanDerWaalsContact C-N 3.27Å; W416-H418 PolarHBondContact O-N 3.2Å; H418-L422 VanDerWaalsContact CE1-CD1 3.48Å; H418-L422 WeakPolarHBondContact CE1-CD1 3.13Å; H418-L422 WeakPolarHBondContact O-CG 3.2Å; H418-L422 PolarHBondContact O-N 3.31Å; H418-L422 VanDerWaalsContact O-N 3.16Å
419I98.8Very high97.4Very high0 Ų042.8 Ų42.80%022%0.217CC..Hα-helixtrans-63.2-43.7175.7-69.3162.4000110.8F340 F350 F363 I379 I385 L387 F400 A415 W416 E417 L422 A423F340-I419 HydrophobicContact CE2-CD1 4.11Å; F340-I419 HydrophobicContact CZ-CD1 4.09Å; F350-I419 HydrophobicContact CE1-CG2 4.11Å; F350-I419 HydrophobicContact CZ-CG2 4.01Å; F363-I419 HydrophobicContact CE2-CG2 4.07Å; F363-I419 HydrophobicContact CZ-CD1 4.13Å; F363-I419 HydrophobicContact CZ-CG2 4.37Å; I379-I419 HydrophobicContact CD1-CG1 3.96Å; I379-I419 HydrophobicContact CD1-CG2 4.44Å; I379-I419 HydrophobicContact CG1-CG1 4.5Å; I385-I419 HydrophobicContact CD1-CD1 3.9Å; I385-I419 HydrophobicContact CD1-CG1 3.8Å; L387-I419 HydrophobicContact CD1-CD1 4.3Å; F400-I419 HydrophobicContact CD2-CD1 4.36Å; F400-I419 HydrophobicContact CE2-CD1 4.38Å; A415-I419 WeakPolarHBondContact O-CD1 3.3Å; A415-I419 VanDerWaalsContact O-CG1 3.27Å; A415-I419 WeakPolarHBondContact O-CG1 3.49Å; A415-I419 PolarHBondContact O-N 2.87Å; W416-I419 HydrophobicContact CE3-CB 4.13Å; W416-I419 HydrophobicContact CE3-CD1 4.43Å; W416-I419 HydrophobicContact CE3-CG2 4.08Å; W416-I419 HydrophobicContact CZ3-CB 4.42Å; W416-I419 HydrophobicContact CZ3-CG2 3.86Å; W416-I419 PolarHBondContact O-N 2.94Å; W416-I419 VanDerWaalsContact O-N 3.15Å; E417-I419 VanDerWaalsContact C-N 3.35Å; E417-I419 PolarHBondContact O-N 3.28Å; I419-L422 PolarHBondContact O-N 2.98Å; I419-A423 WeakPolarHBondContact O-CB 3.32Å; I419-A423 PolarHBondContact O-N 3.31Å
420K98.4Very high96.6Very high50 Ų5046 Ų4622%0.21723%0.228CC..Hα-helixtrans-64.2-40.8179.8-78.2-169.1-64.1171.50113.1R349 W416 E417 A424R349-K420 PolarHBondContact NH1-O 3.44Å; R349-K420 PolarHBondContact NH2-O 3.06Å; W416-K420 HydrophobicContact CD2-CD 4.41Å; W416-K420 HydrophobicContact CD2-CG 4.02Å; W416-K420 HydrophobicContact CE3-CG 4.47Å; W416-K420 HydrophobicContact CH2-CG 4.09Å; W416-K420 HydrophobicContact CZ2-CD 3.83Å; W416-K420 HydrophobicContact CZ2-CG 3.6Å; W416-K420 HydrophobicContact CZ3-CG 4.49Å; W416-K420 PolarHBondContact O-N 3.14Å; E417-K420 PolarHBondContact O-N 3.16Å; E417-K420 VanDerWaalsContact OE1-CE 3.23Å; E417-K420 WeakPolarHBondContact OE1-CE 3.47Å; E417-K420 IonicContact OE1-NZ 3.87Å; E417-K420 PolarHBondContact OE1-NZ 3.35Å; E417-K420 WeakPolarHBondContact OE2-CE 3.4Å; E417-K420 IonicContact OE2-NZ 3.15Å; E417-K420 PolarHBondContact OE2-NZ 3.47Å; K420-A424 PolarHBondContact O-N 3.37Å
421E98.4Very high95.6Very high110 Ų11053.2 Ų53.251%0.51424%0.244SC..Hα-helixtrans-60.1-55.2175.9-74.1173176.200110.1E417 A423 A424 D425E417-E421 WeakPolarHBondContact O-CG 3.49Å; E417-E421 PolarHBondContact O-N 2.88Å; E421-A423 VanDerWaalsContact C-N 3.29Å; E421-A423 PolarHBondContact O-N 3.3Å; E421-A424 WeakPolarHBondContact O-CB 3.28Å; E421-A424 PolarHBondContact O-N 3.35Å; E421-D425 PolarHBondContact O-N 3.48Å
422L98.4Very high94.1Very high22 Ų2262.9 Ų62.912%0.11529%0.289CS..Hα-helixtrans-62.3-36.6179.6-68178.7000112.5L375 R378 I379 A382 H418 I419 A424 D425 V426L375-L422 HydrophobicContact CD1-CB 3.99Å; R378-L422 HydrophobicContact CB-CD1 4.36Å; R378-L422 HydrophobicContact CB-CD2 4.34Å; I379-L422 HydrophobicContact CB-CD1 4.25Å; I379-L422 HydrophobicContact CG1-CD1 3.67Å; A382-L422 HydrophobicContact CB-CD1 4.41Å; H418-L422 VanDerWaalsContact CE1-CD1 3.48Å; H418-L422 WeakPolarHBondContact CE1-CD1 3.13Å; H418-L422 WeakPolarHBondContact O-CG 3.2Å; H418-L422 PolarHBondContact O-N 3.31Å; H418-L422 VanDerWaalsContact O-N 3.16Å; I419-L422 PolarHBondContact O-N 2.98Å; L422-A424 VanDerWaalsContact C-N 3.34Å; L422-A424 PolarHBondContact O-N 2.9Å; L422-D425 PolarHBondContact O-N 3.09Å; L422-V426 WeakPolarHBondContact O-CG2 3.17Å; L422-V426 PolarHBondContact O-N 3.11Å
423A98.3Very high93.8Very high0 Ų066 Ų660%030%0.304CS..Hα-helixtrans-64.4-36.9174.400000112.8F350 L365 L375 I419 E421 D425 V426 L427F350-A423 HydrophobicContact CE1-CB 4.4Å; F350-A423 HydrophobicContact CE2-CB 4.15Å; F350-A423 HydrophobicContact CZ-CB 3.51Å; L365-A423 HydrophobicContact CD1-CB 4.04Å; L365-A423 HydrophobicContact CD2-CB 4.13Å; L365-A423 HydrophobicContact CG-CB 4.49Å; L375-A423 HydrophobicContact CD1-CB 4.04Å; L375-A423 HydrophobicContact CD2-CB 4.37Å; I419-A423 WeakPolarHBondContact O-CB 3.32Å; I419-A423 PolarHBondContact O-N 3.31Å; E421-A423 VanDerWaalsContact C-N 3.29Å; E421-A423 PolarHBondContact O-N 3.3Å; A423-D425 VanDerWaalsContact C-N 3.29Å; A423-D425 PolarHBondContact O-N 2.85Å; A423-V426 PolarHBondContact O-N 2.88Å; A423-L427 WeakPolarHBondContact O-CB 3.11Å; A423-L427 VanDerWaalsContact O-CG 3.27Å; A423-L427 WeakPolarHBondContact O-CG 3.32Å; A423-L427 PolarHBondContact O-N 3.36Å
424A97.6Very high93.6Very high26 Ų2664.6 Ų64.622%0.21530%0.297CS..Hα-helixtrans-62.3-40.6173.800000110.9K420 E421 L422 R428K420-A424 PolarHBondContact O-N 3.37Å; E421-A424 WeakPolarHBondContact O-CB 3.28Å; E421-A424 PolarHBondContact O-N 3.35Å; L422-A424 VanDerWaalsContact C-N 3.34Å; L422-A424 PolarHBondContact O-N 2.9Å; A424-R428 WeakPolarHBondContact O-CG 3.46Å; A424-R428 PolarHBondContact O-N 2.98Å
425D96.2Very high93.3Very high55 Ų5561.7 Ų61.729%0.29429%0.289SS..Hα-helixtrans-67.6-41179.1-57.9-16.7000112.5E421 L422 A423 R428 A429E421-D425 PolarHBondContact O-N 3.48Å; L422-D425 PolarHBondContact O-N 3.09Å; A423-D425 VanDerWaalsContact C-N 3.29Å; A423-D425 PolarHBondContact O-N 2.85Å; D425-R428 PolarHBondContact O-N 2.91Å; D425-R428 IonicContact OD1-CZ 3.46Å; D425-R428 IonicContact OD1-NH1 3.03Å; D425-R428 IonicContact OD1-NH2 2.61Å; D425-R428 PolarHBondContact OD1-NH2 2.61Å; D425-A429 PolarHBondContact O-N 3.44Å; D425-A429 VanDerWaalsContact O-N 3.13Å
426V96.9Very high93Very high8 Ų865.3 Ų65.35%0.04831%0.305CS..Hα-helixtrans-63.1-46.6176.2175.40000110.8V371 A374 L375 R378 L422 A423 R428 A429 E430V371-V426 HydrophobicContact CG1-CG1 3.89Å; A374-V426 HydrophobicContact CB-CG1 4.1Å; L375-V426 HydrophobicContact CB-CG2 4.42Å; R378-V426 HydrophobicContact CG-CG2 4.48Å; L422-V426 WeakPolarHBondContact O-CG2 3.17Å; L422-V426 PolarHBondContact O-N 3.11Å; A423-V426 PolarHBondContact O-N 2.88Å; V426-R428 VanDerWaalsContact C-N 3.27Å; V426-R428 PolarHBondContact O-N 2.81Å; V426-A429 PolarHBondContact O-N 3.33Å; V426-E430 PolarHBondContact O-N 2.71Å; V426-E430 VanDerWaalsContact O-N 3.11Å
427L95Very high92.6Very high26 Ų2669.1 Ų69.114%0.13632%0.323CS..Hα-helixtrans-71.8-17.7-178.8-67.7171.7000113.8R349 L365 V371 A423 R431R349-L427 HydrophobicContact CB-CD1 4.4Å; R349-L427 HydrophobicContact CG-CD1 4.33Å; L365-L427 HydrophobicContact CD1-CG 4.42Å; L365-L427 HydrophobicContact CD2-CD1 4.18Å; V371-L427 HydrophobicContact CG1-CD2 4.09Å; A423-L427 WeakPolarHBondContact O-CB 3.11Å; A423-L427 VanDerWaalsContact O-CG 3.27Å; A423-L427 WeakPolarHBondContact O-CG 3.32Å; A423-L427 PolarHBondContact O-N 3.36Å; L427-R431 PolarHBondContact O-NE 3.07Å; L427-R431 PolarHBondContact O-NH2 3.3Å
428R92.9Very high92.2Very high133 Ų13367.9 Ų67.950%0.50232%0.318SS..Hα-helixtrans-77-46.4168.3-75.2-166-56.4-96.83110.5A424 D425 V426 E430 R431 E432A424-R428 WeakPolarHBondContact O-CG 3.46Å; A424-R428 PolarHBondContact O-N 2.98Å; D425-R428 PolarHBondContact O-N 2.91Å; D425-R428 IonicContact OD1-CZ 3.46Å; D425-R428 IonicContact OD1-NH1 3.03Å; D425-R428 IonicContact OD1-NH2 2.61Å; D425-R428 PolarHBondContact OD1-NH2 2.61Å; V426-R428 VanDerWaalsContact C-N 3.27Å; V426-R428 PolarHBondContact O-N 2.81Å; R428-E430 PolarHBondContact O-N 3.28Å; R428-R431 PolarHBondContact O-N 3.05Å; R428-E432 PolarHBondContact O-N 3.15Å
429A87.2Confident91.7Very high45 Ų4571.6 Ų71.637%0.37234%0.336SS..Hα-helixtrans-65.3-20.4179.300000114.4D425 V426 R431D425-A429 PolarHBondContact O-N 3.44Å; D425-A429 VanDerWaalsContact O-N 3.13Å; V426-A429 PolarHBondContact O-N 3.33Å; A429-R431 VanDerWaalsContact C-N 3.35Å
430E81.1Confident91.2Very high109 Ų10977.2 Ų77.251%0.50936%0.361SS..THydrogen-bonded Turntrans-79.3-18.4173.4-167.5179.4-157.500112.9V371 V426 R428V371-E430 HydrophobicContact CG2-CG 4.45Å; V371-E430 WeakPolarHBondContact CG2-OE1 3.19Å; V371-E430 WeakPolarHBondContact CG2-OE2 3.29Å; V426-E430 PolarHBondContact O-N 2.71Å; V426-E430 VanDerWaalsContact O-N 3.11Å; R428-E430 PolarHBondContact O-N 3.28Å
431R78.9Confident90.6Very high204 Ų20479.4 Ų79.477%0.7737%0.373SS*.THydrogen-bonded Turntrans-94.1-16.3-179.5-75.2-175.3-97.2-162.6-6113.6L427 R428 A429L427-R431 PolarHBondContact O-NE 3.07Å; L427-R431 PolarHBondContact O-NH2 3.3Å; R428-R431 PolarHBondContact O-N 3.05Å; A429-R431 VanDerWaalsContact C-N 3.35Å
432E66.3Low89.9Confident215 Ų21576.6 Ų76.6100%1.00536%0.361SS*.  trans-89.70171.5-66.8173.1-174.400109.5R428R428-E432 PolarHBondContact O-N 3.15Å

Retrieved 432 of 432 residues in 187.8 ms (Link to these results)

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