A0A077ZJK1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZJK1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 302 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
1M47.8Very low60.2Low244 Ų244115 Ų115100%1.20261%0.612SS**  018.70-125.7172.1173.900113.9
2H48.1Very low61.9Low164 Ų164105.4 Ų105.476%0.75956%0.561SS**  trans-109.7-3.7-175.7-116.9-52.4000114.8
3L47.4Very low63.4Low159 Ų15999.1 Ų99.183%0.83253%0.533SS*.SBendtrans-80.9-27.8-174.7-81.1153.7000113.5
4D53.7Low65Low137 Ų137102.3 Ų102.373%0.73354%0.539SS*.Hα-helixtrans-73.9-30.2-175.4-120.2-11.2000113.5M6 S7 G8D4-M6 VanDerWaalsContact C-N 3.32Å; D4-M6 PolarHBondContact O-N 3.07Å; D4-S7 PolarHBondContact O-N 3.34Å; D4-S7 PolarHBondContact O-OG 3.07Å; D4-G8 PolarHBondContact O-N 3.46Å
5V54.1Low66.3Low108 Ų10899.6 Ų99.666%0.65552%0.523SS*.Hα-helixtrans-73-28.2-178.2-176.20000111.6
6M54.5Low67.4Low134 Ų13493.5 Ų93.566%0.6649%0.491SS*.Hα-helixtrans-74.8-34.7178.2-66.9-112.185.700111.7D4 D10D4-M6 VanDerWaalsContact C-N 3.32Å; D4-M6 PolarHBondContact O-N 3.07Å; M6-D10 PolarHBondContact O-N 2.94Å
7S64.1Low68.4Low68 Ų6891.3 Ų91.348%0.47648%0.479SS..Hα-helixtrans-68.1-43.8179.981.40000111.7D4 A9 D10 E11D4-S7 PolarHBondContact O-N 3.34Å; D4-S7 PolarHBondContact O-OG 3.07Å; S7-A9 VanDerWaalsContact C-N 3.29Å; S7-A9 PolarHBondContact O-N 3.17Å; S7-D10 PolarHBondContact O-N 3.31Å; S7-E11 PolarHBondContact O-N 2.97Å
8G66.4Low69.3Low24 Ų2489.7 Ų89.725%0.24748%0.482CS..Hα-helixtrans-66-29.7-178.200000113.7D4 A12D4-G8 PolarHBondContact O-N 3.46Å; G8-A12 WeakPolarHBondContact O-CB 3.43Å; G8-A12 PolarHBondContact O-N 3.14Å
9A65.6Low70Confident10 Ų1086.1 Ų86.18%0.08346%0.462CS..Hα-helixtrans-77.1-32178.200000113.2S7 A13S7-A9 VanDerWaalsContact C-N 3.29Å; S7-A9 PolarHBondContact O-N 3.17Å; A9-A13 PolarHBondContact O-N 2.88Å; A9-A13 VanDerWaalsContact O-N 3.11Å
10D78Confident70.6Confident108 Ų10881.8 Ų81.858%0.57844%0.439SS*.Hα-helixtrans-72.3-37.6174.5-122.129.5000111M6 S7 A13 K14M6-D10 PolarHBondContact O-N 2.94Å; S7-D10 PolarHBondContact O-N 3.31Å; D10-A13 PolarHBondContact O-N 3.5Å; D10-K14 WeakPolarHBondContact O-CG 3.28Å; D10-K14 PolarHBondContact O-N 2.86Å; D10-K14 VanDerWaalsContact O-N 3.1Å
11E82.9Confident71.3Confident109 Ų10981.5 Ų81.551%0.50944%0.437SS..Hα-helixtrans-61.6-48.5172-172178.2-160.100111.5S7 A13 K14 E15S7-E11 PolarHBondContact O-N 2.97Å; E11-A13 VanDerWaalsContact C-N 3.3Å; E11-A13 PolarHBondContact O-N 2.85Å; E11-K14 WeakPolarHBondContact O-CA 3.48Å; E11-K14 WeakPolarHBondContact O-CB 3.05Å; E11-K14 PolarHBondContact O-N 3.33Å; E11-E15 PolarHBondContact O-N 3.44Å
12A80.3Confident72.8Confident0 Ų070.9 Ų70.90%039%0.391CS..Hα-helixtrans-65.4-30.9178.600000113.2G8 E15 L16 K49 M50G8-A12 WeakPolarHBondContact O-CB 3.43Å; G8-A12 PolarHBondContact O-N 3.14Å; A12-E15 PolarHBondContact O-N 3.35Å; A12-L16 PolarHBondContact O-N 2.71Å; A12-K49 HydrophobicContact CB-CB 4.1Å; A12-K49 HydrophobicContact CB-CD 4.39Å; A12-M50 HydrophobicContact CB-CG 3.29Å; A12-M50 HydrophobicContact CB-SD 3.64Å
13A81.9Confident74.1Confident23 Ų2364.1 Ų64.119%0.1936%0.36CS..Hα-helixtrans-67.7-35171.600000112.3A9 D10 E11 L16 N17 M50A9-A13 PolarHBondContact O-N 2.88Å; A9-A13 VanDerWaalsContact O-N 3.11Å; D10-A13 PolarHBondContact O-N 3.5Å; E11-A13 VanDerWaalsContact C-N 3.3Å; E11-A13 PolarHBondContact O-N 2.85Å; A13-L16 PolarHBondContact O-N 3.21Å; A13-N17 PolarHBondContact O-N 2.98Å; A13-N17 VanDerWaalsContact O-N 3.1Å; A13-N17 PolarHBondContact O-ND2 3.44Å; A13-N17 VanDerWaalsContact O-ND2 3.12Å; A13-M50 HydrophobicContact CB-CE 4.34Å
14K85.8Confident75.5Confident144 Ų14459.7 Ų59.763%0.62634%0.336SS*.Hα-helixtrans-67.6-42171.6-68.8171.2-176.1174.30111.5D10 E11 L16 N17 A18D10-K14 WeakPolarHBondContact O-CG 3.28Å; D10-K14 PolarHBondContact O-N 2.86Å; D10-K14 VanDerWaalsContact O-N 3.1Å; E11-K14 WeakPolarHBondContact O-CA 3.48Å; E11-K14 WeakPolarHBondContact O-CB 3.05Å; E11-K14 PolarHBondContact O-N 3.33Å; K14-L16 VanDerWaalsContact C-N 3.3Å; K14-L16 PolarHBondContact O-N 2.97Å; K14-N17 PolarHBondContact O-N 3.24Å; K14-A18 PolarHBondContact O-N 3.17Å
15E84.4Confident76.7Confident62 Ų6259.9 Ų59.929%0.2934%0.336SS..Hα-helixtrans-57.4-43.4172.9-69.8176.9-178.300110.8E11 A12 N17 A18 L19 M46 K49E11-E15 PolarHBondContact O-N 3.44Å; A12-E15 PolarHBondContact O-N 3.35Å; E15-N17 PolarHBondContact O-N 3.06Å; E15-A18 PolarHBondContact O-N 3Å; E15-L19 PolarHBondContact O-N 3.37Å; E15-M46 HydrophobicContact CB-CG 4.02Å; E15-M46 HydrophobicContact CB-SD 3.62Å; E15-M46 WeakPolarHBondContact OE2-CG 3.15Å; E15-K49 IonicContact OE1-NZ 3.81Å; E15-K49 PolarHBondContact OE1-NZ 2.94Å; E15-K49 IonicContact OE2-NZ 2.72Å
16L83.8Confident77.3Confident2 Ų258.2 Ų58.21%0.0132%0.323CS..Hα-helixtrans-62-44177.117758.7000111.6A12 A13 K14 A18 L19 L20 M46 F55 C58 L59 L76A12-L16 PolarHBondContact O-N 2.71Å; A13-L16 PolarHBondContact O-N 3.21Å; K14-L16 VanDerWaalsContact C-N 3.3Å; K14-L16 PolarHBondContact O-N 2.97Å; L16-A18 VanDerWaalsContact C-N 3.35Å; L16-A18 PolarHBondContact O-N 3.11Å; L16-L19 WeakPolarHBondContact O-CB 3.45Å; L16-L19 PolarHBondContact O-N 3.22Å; L16-L20 HydrophobicContact CD1-CD1 4.17Å; L16-L20 HydrophobicContact CD1-CG 4.14Å; L16-L20 HydrophobicContact CG-CD1 4.09Å; L16-L20 HydrophobicContact CG-CG 4.49Å; L16-L20 VanDerWaalsContact O-CG 3.32Å; L16-L20 WeakPolarHBondContact O-CG 3.34Å; L16-L20 PolarHBondContact O-N 3.1Å; L16-M46 WeakPolarHBondContact CA-SD 3.08Å; L16-M46 HydrophobicContact CB-SD 3.89Å; L16-M46 HydrophobicContact CD1-CE 4.39Å; L16-M46 PolarHBondContact N-SD 3.35Å; L16-F55 HydrophobicContact CD1-CE2 3.75Å; L16-F55 HydrophobicContact CD1-CZ 4.16Å; L16-F55 HydrophobicContact CD2-CD2 4.43Å; L16-F55 HydrophobicContact CD2-CE2 4.31Å; L16-C58 HydrophobicContact CD2-CB 3.9Å; L16-L59 HydrophobicContact CD1-CD1 4.43Å; L16-L59 HydrophobicContact CD2-CB 4.37Å; L16-L76 HydrophobicContact CD1-CD2 4.35Å
17N84.8Confident77.4Confident56 Ų5656.8 Ų56.830%0.29932%0.318SS..Hα-helixtrans-63.2-41.7176.4-75.7-43.1000112.2A13 K14 E15 L19 L20 N21 R62A13-N17 PolarHBondContact O-N 2.98Å; A13-N17 VanDerWaalsContact O-N 3.1Å; A13-N17 PolarHBondContact O-ND2 3.44Å; A13-N17 VanDerWaalsContact O-ND2 3.12Å; K14-N17 PolarHBondContact O-N 3.24Å; E15-N17 PolarHBondContact O-N 3.06Å; N17-L19 VanDerWaalsContact C-N 3.29Å; N17-L19 PolarHBondContact O-N 3.44Å; N17-L20 PolarHBondContact O-N 3.1Å; N17-N21 WeakPolarHBondContact O-CB 3.44Å; N17-N21 PolarHBondContact O-N 3.38Å; N17-N21 PolarHBondContact O-ND2 3.27Å; N17-R62 VanDerWaalsContact OD1-CD 3.23Å; N17-R62 WeakPolarHBondContact OD1-CD 3.41Å; N17-R62 PolarHBondContact OD1-NE 3.35Å
18A84.5Confident76.9Confident63 Ų6355.8 Ų55.852%0.52131%0.311SS..Hα-helixtrans-61.2-40.6174.600000111.3K14 E15 L16 N21 G22K14-A18 PolarHBondContact O-N 3.17Å; E15-A18 PolarHBondContact O-N 3Å; L16-A18 VanDerWaalsContact C-N 3.35Å; L16-A18 PolarHBondContact O-N 3.11Å; A18-N21 PolarHBondContact O-N 3.24Å; A18-G22 PolarHBondContact O-N 3.27Å
19L82.8Confident76.1Confident21 Ų2161.2 Ų61.211%0.1133%0.334CS..Hα-helixtrans-62.8-48.4176.6-159.979.3000112.1E15 L16 N17 N21 G22 L23 F39 A42 L43 M46 L76E15-L19 PolarHBondContact O-N 3.37Å; L16-L19 WeakPolarHBondContact O-CB 3.45Å; L16-L19 PolarHBondContact O-N 3.22Å; N17-L19 VanDerWaalsContact C-N 3.29Å; N17-L19 PolarHBondContact O-N 3.44Å; L19-N21 VanDerWaalsContact C-N 3.34Å; L19-N21 PolarHBondContact O-N 3.46Å; L19-G22 PolarHBondContact O-N 2.76Å; L19-L23 WeakPolarHBondContact O-CG 3.47Å; L19-L23 PolarHBondContact O-N 3.4Å; L19-F39 HydrophobicContact CD1-CD1 3.33Å; L19-F39 HydrophobicContact CD1-CE1 3.49Å; L19-F39 VanDerWaalsContact CD1-CE1 3.49Å; L19-F39 HydrophobicContact CD2-CD1 3.97Å; L19-F39 HydrophobicContact CG-CD1 3.61Å; L19-F39 HydrophobicContact CG-CE1 3.72Å; L19-A42 HydrophobicContact CD1-CB 3.82Å; L19-L43 HydrophobicContact CD2-CD2 3.63Å; L19-L43 HydrophobicContact CD2-CG 3.84Å; L19-M46 HydrophobicContact CB-CE 4.1Å; L19-M46 HydrophobicContact CD1-CE 4.46Å; L19-M46 HydrophobicContact CD2-CE 3.48Å; L19-M46 VanDerWaalsContact CD2-CE 3.48Å; L19-M46 HydrophobicContact CG-CE 4.21Å; L19-L76 HydrophobicContact CD2-CD1 3.94Å
20L81.7Confident75.4Confident0 Ų062.8 Ų62.80%035%0.345CS..Hα-helixtrans-63.1-42.4179.5-68.5172000111L16 N17 G22 L23 I24 L59 R62 V69 P72 L76L16-L20 HydrophobicContact CD1-CD1 4.17Å; L16-L20 HydrophobicContact CD1-CG 4.14Å; L16-L20 HydrophobicContact CG-CD1 4.09Å; L16-L20 HydrophobicContact CG-CG 4.49Å; L16-L20 VanDerWaalsContact O-CG 3.32Å; L16-L20 WeakPolarHBondContact O-CG 3.34Å; L16-L20 PolarHBondContact O-N 3.1Å; N17-L20 PolarHBondContact O-N 3.1Å; L20-G22 VanDerWaalsContact C-N 3.32Å; L20-G22 PolarHBondContact O-N 2.73Å; L20-L23 PolarHBondContact O-N 2.95Å; L20-I24 VanDerWaalsContact O-CG1 3.29Å; L20-I24 WeakPolarHBondContact O-CG1 3.38Å; L20-I24 PolarHBondContact O-N 2.94Å; L20-L59 HydrophobicContact CD1-CD1 3.97Å; L20-L59 HydrophobicContact CD2-CD1 3.79Å; L20-L59 HydrophobicContact CG-CD1 4.42Å; L20-R62 HydrophobicContact CD1-CB 4.08Å; L20-R62 HydrophobicContact CD1-CG 4.25Å; L20-V69 HydrophobicContact CD1-CG1 3.87Å; L20-V69 HydrophobicContact CD2-CG1 4.11Å; L20-V69 HydrophobicContact CG-CG1 4.4Å; L20-P72 HydrophobicContact CD2-CB 4.43Å; L20-L76 HydrophobicContact CD2-CD2 4.3Å
21N83.9Confident74Confident75 Ų7560.6 Ų60.640%0.40135%0.348SS..Hα-helixtrans-64.5-38.2174.8-67.3-15.5000111.8N17 A18 L19 I24 I25N17-N21 WeakPolarHBondContact O-CB 3.44Å; N17-N21 PolarHBondContact O-N 3.38Å; N17-N21 PolarHBondContact O-ND2 3.27Å; A18-N21 PolarHBondContact O-N 3.24Å; L19-N21 VanDerWaalsContact C-N 3.34Å; L19-N21 PolarHBondContact O-N 3.46Å; N21-I24 PolarHBondContact O-N 3.16Å; N21-I25 WeakPolarHBondContact O-CG1 3.32Å; N21-I25 PolarHBondContact O-N 3.3Å
22G79.9Confident72.8Confident22 Ų2259.9 Ų59.923%0.22734%0.344CS..Hα-helixtrans-60.1-45172.400000112.3A18 L19 L20 I24 I25 L26A18-G22 PolarHBondContact O-N 3.27Å; L19-G22 PolarHBondContact O-N 2.76Å; L20-G22 VanDerWaalsContact C-N 3.32Å; L20-G22 PolarHBondContact O-N 2.73Å; G22-I24 VanDerWaalsContact C-N 3.3Å; G22-I24 PolarHBondContact O-N 3.25Å; G22-I25 PolarHBondContact O-N 2.96Å; G22-L26 VanDerWaalsContact O-CB 3.3Å; G22-L26 WeakPolarHBondContact O-CB 3.45Å; G22-L26 WeakPolarHBondContact O-CG 3.37Å; G22-L26 PolarHBondContact O-N 2.88Å
23L76.3Confident72Confident22 Ų2264.4 Ų64.412%0.11537%0.374CS..Hα-helixtrans-67.3-26.6175.8-73.8168.4000113.7L19 L20 L26 F39 P72 L76L19-L23 WeakPolarHBondContact O-CG 3.47Å; L19-L23 PolarHBondContact O-N 3.4Å; L20-L23 PolarHBondContact O-N 2.95Å; L23-L26 CarbonylContact O-C 3.5Å; L23-F39 HydrophobicContact CD1-CD1 4.34Å; L23-F39 HydrophobicContact CD1-CE1 4.2Å; L23-F39 HydrophobicContact CD2-CD1 3.96Å; L23-F39 HydrophobicContact CD2-CD2 3.81Å; L23-F39 HydrophobicContact CD2-CE1 3.6Å; L23-F39 HydrophobicContact CD2-CE2 3.36Å; L23-F39 HydrophobicContact CD2-CG 4.12Å; L23-F39 HydrophobicContact CD2-CZ 3.29Å; L23-F39 HydrophobicContact CG-CD1 4.05Å; L23-F39 HydrophobicContact CG-CE1 3.49Å; L23-F39 VanDerWaalsContact CG-CE1 3.49Å; L23-F39 HydrophobicContact CG-CE2 4.19Å; L23-F39 HydrophobicContact CG-CZ 3.59Å; L23-P72 HydrophobicContact CB-CB 3.81Å; L23-P72 HydrophobicContact CB-CG 4.33Å; L23-P72 HydrophobicContact CD1-CB 4.34Å; L23-L76 HydrophobicContact CD1-CD1 3.84Å
24I77Confident71.1Confident65 Ų6571.1 Ų71.133%0.33340%0.395SS..Hα-helixtrans-68.5-42.5172.8-69.3166.3000110.1L20 N21 G22 C68 V69 P72L20-I24 VanDerWaalsContact O-CG1 3.29Å; L20-I24 WeakPolarHBondContact O-CG1 3.38Å; L20-I24 PolarHBondContact O-N 2.94Å; N21-I24 PolarHBondContact O-N 3.16Å; G22-I24 VanDerWaalsContact C-N 3.3Å; G22-I24 PolarHBondContact O-N 3.25Å; I24-C68 HydrophobicContact CD1-CB 3.97Å; I24-C68 HydrophobicContact CG1-CB 4.48Å; I24-V69 HydrophobicContact CD1-CG2 3.94Å; I24-P72 HydrophobicContact CG1-CG 3.75Å
25I78.6Confident70Confident142 Ų14265.1 Ų65.173%0.72837%0.369SS*.Hα-helixtrans-73.4-45.3-179-63.7165000110.6N21 G22 N27N21-I25 WeakPolarHBondContact O-CG1 3.32Å; N21-I25 PolarHBondContact O-N 3.3Å; G22-I25 PolarHBondContact O-N 2.96Å; I25-N27 PolarHBondContact O-N 3.06Å
26L66.8Low69Low72 Ų7265 Ų6538%0.37738%0.375SS..SBendtrans-8177.3174.8-62.1170.2000107.6G22 L23 S28 F39G22-L26 VanDerWaalsContact O-CB 3.3Å; G22-L26 WeakPolarHBondContact O-CB 3.45Å; G22-L26 WeakPolarHBondContact O-CG 3.37Å; G22-L26 PolarHBondContact O-N 2.88Å; L23-L26 CarbonylContact O-C 3.5Å; L26-S28 PolarHBondContact O-N 3.28Å; L26-F39 HydrophobicContact CD1-CE2 4.17Å; L26-F39 HydrophobicContact CD1-CZ 3.93Å
27N56.6Low68.4Low105 Ų10571.5 Ų71.556%0.56141%0.405SS*.  trans-39120.8171.4-175.72000108.8I25 N29 S30I25-N27 PolarHBondContact O-N 3.06Å; N27-N29 PolarHBondContact O-N 3.24Å; N27-S30 PolarHBondContact O-N 3.41Å; N27-S30 PolarHBondContact O-OG 2.96Å
28S52Low67.7Low46 Ų4671.7 Ų71.732%0.32241%0.414SS..THydrogen-bonded Turntrans-58.1-5-165.738.80000115.2L26 S30 H75L26-S28 PolarHBondContact O-N 3.28Å; S28-S30 VanDerWaalsContact C-N 3.31Å; S28-H75 VanDerWaalsContact CB-CD2 3.46Å; S28-H75 WeakPolarHBondContact CB-CD2 3.36Å; S28-H75 VanDerWaalsContact CB-NE2 3.34Å; S28-H75 WeakPolarHBondContact CB-NE2 3.35Å; S28-H75 PolarHBondContact OG-CD2 3.13Å; S28-H75 PolarHBondContact OG-NE2 2.85Å
29N50.1Low67.2Low138 Ų13870.1 Ų70.174%0.73840%0.396SS*.THydrogen-bonded Turntrans-77.7-6.8169.6-63.6-23.5000114.3N27 G31N27-N29 PolarHBondContact O-N 3.24Å; N29-G31 PolarHBondContact O-N 3.2Å
30S51.2Low66.8Low43 Ų4371.1 Ų71.130%0.30140%0.4SS..  trans-72.472.3165.966.60000108.6N27 S28 E32N27-S30 PolarHBondContact O-N 3.41Å; N27-S30 PolarHBondContact O-OG 2.96Å; S28-S30 VanDerWaalsContact C-N 3.31Å; S30-E32 PolarHBondContact O-N 2.96Å
31G49.6Very low66.6Low63 Ų6374.5 Ų74.565%0.64942%0.423SS*.  trans-70.736.2-175.800000113.8N29 P33N29-G31 PolarHBondContact O-N 3.2Å; G31-P33 WeakPolarHBondContact O-CD 3.5Å
32E57.4Low66.3Low93 Ų9372.5 Ų72.544%0.43542%0.417SS..  trans-79121179.5-53.6-16915400109S30 W34 I35 C36S30-E32 PolarHBondContact O-N 2.96Å; E32-W34 PolarHBondContact O-N 3.4Å; E32-W34 VanDerWaalsContact O-N 3.09Å; E32-W34 WeakPolarHBondContact OE2-CZ2 3.43Å; E32-W34 PolarHBondContact OE2-NE1 3.42Å; E32-I35 HydrophobicContact CB-CD1 3.93Å; E32-I35 HydrophobicContact CB-CG1 4.1Å; E32-I35 HydrophobicContact CG-CD1 4.26Å; E32-I35 WeakPolarHBondContact O-CB 3.49Å; E32-I35 PolarHBondContact O-N 3.01Å; E32-C36 PolarHBondContact O-N 3.13Å
33P62.5Low66.2Low96 Ų9671.5 Ų71.562%0.62341%0.406SS*.Hα-helixtrans-54.4-35.3-172-29.535.2000114.6G31 I35 C36 E37G31-P33 WeakPolarHBondContact O-CD 3.5Å; P33-I35 VanDerWaalsContact C-N 3.33Å; P33-I35 PolarHBondContact O-N 3.31Å; P33-C36 WeakPolarHBondContact O-CB 3.33Å; P33-C36 PolarHBondContact O-N 3.13Å; P33-E37 WeakPolarHBondContact O-CG 3.42Å; P33-E37 PolarHBondContact O-N 3.06Å
34W63.9Low66.3Low164 Ų16473 Ų7362%0.62142%0.415SS*.Hα-helixtrans-67.1-32.4179.565.3-80.1000112.9E32 E37 A38E32-W34 PolarHBondContact O-N 3.4Å; E32-W34 VanDerWaalsContact O-N 3.09Å; E32-W34 WeakPolarHBondContact OE2-CZ2 3.43Å; E32-W34 PolarHBondContact OE2-NE1 3.42Å; W34-E37 PolarHBondContact O-N 3.46Å; W34-A38 WeakPolarHBondContact O-CB 3.17Å; W34-A38 PolarHBondContact O-N 3.34Å
35I63.3Low66.5Low18 Ų1873 Ų739%0.09242%0.418CS..Hα-helixtrans-64.8-47.2174.2-65179.1000108.7E32 P33 E37 A38 F39E32-I35 HydrophobicContact CB-CD1 3.93Å; E32-I35 HydrophobicContact CB-CG1 4.1Å; E32-I35 HydrophobicContact CG-CD1 4.26Å; E32-I35 WeakPolarHBondContact O-CB 3.49Å; E32-I35 PolarHBondContact O-N 3.01Å; P33-I35 VanDerWaalsContact C-N 3.33Å; P33-I35 PolarHBondContact O-N 3.31Å; I35-E37 PolarHBondContact O-N 3.29Å; I35-A38 PolarHBondContact O-N 2.96Å; I35-F39 HydrophobicContact CG2-CD2 3.51Å; I35-F39 HydrophobicContact CG2-CE2 3.23Å; I35-F39 HydrophobicContact CG2-CZ 4.41Å; I35-F39 WeakPolarHBondContact O-CD2 3.41Å; I35-F39 PolarHBondContact O-N 2.85Å
36C63.4Low66.7Low60 Ų6066.3 Ų66.341%0.40538%0.384SS..Hα-helixtrans-56.9-51.6174.2-65.30000110.8E32 P33 A38 F39 H40E32-C36 PolarHBondContact O-N 3.13Å; P33-C36 WeakPolarHBondContact O-CB 3.33Å; P33-C36 PolarHBondContact O-N 3.13Å; C36-A38 PolarHBondContact O-N 3.37Å; C36-F39 WeakPolarHBondContact O-CB 3.45Å; C36-F39 PolarHBondContact O-N 3.23Å; C36-H40 VanDerWaalsContact C-ND1 3.35Å; C36-H40 PolarHBondContact O-N 3.38Å; C36-H40 PolarHBondContact O-ND1 2.74Å
37E70.2Confident67.3Low138 Ų13863.1 Ų63.165%0.64537%0.367SS*.Hα-helixtrans-59-42.2-179.7-72.7179.2179.400113.4P33 W34 I35 H40 S41P33-E37 WeakPolarHBondContact O-CG 3.42Å; P33-E37 PolarHBondContact O-N 3.06Å; W34-E37 PolarHBondContact O-N 3.46Å; I35-E37 PolarHBondContact O-N 3.29Å; E37-H40 WeakPolarHBondContact O-CB 3.38Å; E37-H40 PolarHBondContact O-N 3.11Å; E37-S41 PolarHBondContact O-N 3.42Å
38A70.5Confident68.5Low60 Ų6068.1 Ų68.150%0.49638%0.378SS..Hα-helixtrans-61.3-45.6175.300000111.4W34 I35 C36 H40 S41 A42W34-A38 WeakPolarHBondContact O-CB 3.17Å; W34-A38 PolarHBondContact O-N 3.34Å; I35-A38 PolarHBondContact O-N 2.96Å; C36-A38 PolarHBondContact O-N 3.37Å; A38-H40 PolarHBondContact O-N 2.74Å; A38-S41 PolarHBondContact O-N 3.35Å; A38-A42 WeakPolarHBondContact O-CB 3.49Å; A38-A42 PolarHBondContact O-N 3.23Å
39F74Confident70.1Confident30 Ų3070.8 Ų70.813%0.13238%0.384CS..Hα-helixtrans-59.8-44.8174.1-79.1-60.7000111.6L19 L23 L26 I35 C36 S41 A42 L43L19-F39 HydrophobicContact CD1-CD1 3.33Å; L19-F39 HydrophobicContact CD1-CE1 3.49Å; L19-F39 VanDerWaalsContact CD1-CE1 3.49Å; L19-F39 HydrophobicContact CD2-CD1 3.97Å; L19-F39 HydrophobicContact CG-CD1 3.61Å; L19-F39 HydrophobicContact CG-CE1 3.72Å; L23-F39 HydrophobicContact CD1-CD1 4.34Å; L23-F39 HydrophobicContact CD1-CE1 4.2Å; L23-F39 HydrophobicContact CD2-CD1 3.96Å; L23-F39 HydrophobicContact CD2-CD2 3.81Å; L23-F39 HydrophobicContact CD2-CE1 3.6Å; L23-F39 HydrophobicContact CD2-CE2 3.36Å; L23-F39 HydrophobicContact CD2-CG 4.12Å; L23-F39 HydrophobicContact CD2-CZ 3.29Å; L23-F39 HydrophobicContact CG-CD1 4.05Å; L23-F39 HydrophobicContact CG-CE1 3.49Å; L23-F39 VanDerWaalsContact CG-CE1 3.49Å; L23-F39 HydrophobicContact CG-CE2 4.19Å; L23-F39 HydrophobicContact CG-CZ 3.59Å; L26-F39 HydrophobicContact CD1-CE2 4.17Å; L26-F39 HydrophobicContact CD1-CZ 3.93Å; I35-F39 HydrophobicContact CG2-CD2 3.51Å; I35-F39 HydrophobicContact CG2-CE2 3.23Å; I35-F39 HydrophobicContact CG2-CZ 4.41Å; I35-F39 WeakPolarHBondContact O-CD2 3.41Å; I35-F39 PolarHBondContact O-N 2.85Å; C36-F39 WeakPolarHBondContact O-CB 3.45Å; C36-F39 PolarHBondContact O-N 3.23Å; F39-S41 PolarHBondContact O-N 3.46Å; F39-A42 PolarHBondContact O-N 3.39Å; F39-L43 WeakPolarHBondContact O-CB 3.29Å; F39-L43 WeakPolarHBondContact O-CD1 3.14Å; F39-L43 WeakPolarHBondContact O-CG 3.28Å; F39-L43 PolarHBondContact O-N 2.95Å
40H73.1Confident71.7Confident42 Ų4265 Ų6519%0.19435%0.353CS..Hα-helixtrans-60.1-44.9177.1-76.480.3000112.1C36 E37 A38 L43 N44 T79C36-H40 VanDerWaalsContact C-ND1 3.35Å; C36-H40 PolarHBondContact O-N 3.38Å; C36-H40 PolarHBondContact O-ND1 2.74Å; E37-H40 WeakPolarHBondContact O-CB 3.38Å; E37-H40 PolarHBondContact O-N 3.11Å; A38-H40 PolarHBondContact O-N 2.74Å; H40-L43 PolarHBondContact O-N 3.29Å; H40-N44 WeakPolarHBondContact O-CB 3.36Å; H40-N44 PolarHBondContact O-N 3.15Å; H40-N44 PolarHBondContact O-ND2 3.3Å; H40-N44 VanDerWaalsContact O-ND2 3.1Å; H40-T79 VanDerWaalsContact CD2-CG2 3.47Å; H40-T79 WeakPolarHBondContact CD2-CG2 3.37Å; H40-T79 WeakPolarHBondContact CE1-CG2 3.21Å; H40-T79 WeakPolarHBondContact NE2-CG2 3.28Å
41S78.2Confident73.3Confident71 Ų7164.5 Ų64.550%0.49735%0.354SS..Hα-helixtrans-63.8-45179.3-173.30000111.6E37 A38 F39 L43 N44 T45E37-S41 PolarHBondContact O-N 3.42Å; A38-S41 PolarHBondContact O-N 3.35Å; F39-S41 PolarHBondContact O-N 3.46Å; S41-L43 VanDerWaalsContact C-N 3.34Å; S41-L43 PolarHBondContact O-N 2.62Å; S41-N44 PolarHBondContact O-N 3.01Å; S41-T45 WeakPolarHBondContact O-CB 3.33Å; S41-T45 PolarHBondContact O-N 3.09Å; S41-T45 PolarHBondContact O-OG1 3.31Å
42A78.6Confident75Confident32 Ų3263.9 Ų63.926%0.26434%0.336SS..Hα-helixtrans-59.6-44.6175.500000111.4L19 A38 F39 T45 M46L19-A42 HydrophobicContact CD1-CB 3.82Å; A38-A42 WeakPolarHBondContact O-CB 3.49Å; A38-A42 PolarHBondContact O-N 3.23Å; F39-A42 PolarHBondContact O-N 3.39Å; A42-T45 PolarHBondContact O-N 3.1Å; A42-M46 HydrophobicContact CB-CE 4.35Å; A42-M46 WeakPolarHBondContact O-CB 3.19Å; A42-M46 WeakPolarHBondContact O-CG 3.44Å; A42-M46 PolarHBondContact O-N 2.93Å
43L77.7Confident76.4Confident1 Ų167 Ų671%0.00534%0.343CS..Hα-helixtrans-65.7-42.3178.8-71163.8000113.6L19 F39 H40 S41 T45 M46 S47 F55 L76 L80L19-L43 HydrophobicContact CD2-CD2 3.63Å; L19-L43 HydrophobicContact CD2-CG 3.84Å; F39-L43 WeakPolarHBondContact O-CB 3.29Å; F39-L43 WeakPolarHBondContact O-CD1 3.14Å; F39-L43 WeakPolarHBondContact O-CG 3.28Å; F39-L43 PolarHBondContact O-N 2.95Å; H40-L43 PolarHBondContact O-N 3.29Å; S41-L43 VanDerWaalsContact C-N 3.34Å; S41-L43 PolarHBondContact O-N 2.62Å; L43-T45 VanDerWaalsContact C-N 3.25Å; L43-T45 PolarHBondContact O-N 3.23Å; L43-M46 HydrophobicContact CD2-CE 3.94Å; L43-M46 HydrophobicContact CG-CE 4.47Å; L43-M46 PolarHBondContact O-N 2.93Å; L43-S47 VanDerWaalsContact O-CB 3.29Å; L43-S47 WeakPolarHBondContact O-CB 3.42Å; L43-S47 PolarHBondContact O-N 3.38Å; L43-S47 PolarHBondContact O-OG 2.93Å; L43-F55 HydrophobicContact CD2-CE2 3.88Å; L43-F55 HydrophobicContact CD2-CZ 3.48Å; L43-F55 VanDerWaalsContact CD2-CZ 3.48Å; L43-L76 HydrophobicContact CD1-CD1 3.28Å; L43-L76 HydrophobicContact CD1-CG 3.84Å; L43-L76 HydrophobicContact CD2-CD1 3.46Å; L43-L76 VanDerWaalsContact CD2-CD1 3.46Å; L43-L76 HydrophobicContact CD2-CD2 3.58Å; L43-L76 HydrophobicContact CD2-CG 3.59Å; L43-L76 HydrophobicContact CG-CD1 3.81Å; L43-L76 HydrophobicContact CG-CG 4.31Å; L43-L80 HydrophobicContact CB-CD2 4.11Å; L43-L80 HydrophobicContact CD1-CD2 4.3Å; L43-L80 HydrophobicContact CD1-CG 4.32Å; L43-L80 HydrophobicContact CD2-CD1 4.34Å
44N77.7Confident77.6Confident54 Ų5466.3 Ų66.329%0.28933%0.331SS..Hα-helixtrans-61.6-40.2175.6-79.6-42.7000110.7H40 S41 S47 R48 R84H40-N44 WeakPolarHBondContact O-CB 3.36Å; H40-N44 PolarHBondContact O-N 3.15Å; H40-N44 PolarHBondContact O-ND2 3.3Å; H40-N44 VanDerWaalsContact O-ND2 3.1Å; S41-N44 PolarHBondContact O-N 3.01Å; N44-S47 PolarHBondContact O-OG 3.31Å; N44-R48 WeakPolarHBondContact O-CB 2.94Å; N44-R48 VanDerWaalsContact O-CG 3.24Å; N44-R48 WeakPolarHBondContact O-CG 3.44Å; N44-R48 PolarHBondContact O-N 3.19Å; N44-R48 VanDerWaalsContact O-N 3.15Å; N44-R84 PolarHBondContact OD1-NH2 2.7Å
45T81.7Confident78.7Confident64 Ų6458.5 Ų58.539%0.39330%0.301SS..Hα-helixtrans-66.1-50.8177.1-57.70000111.5S41 A42 L43 S47 R48 K49S41-T45 WeakPolarHBondContact O-CB 3.33Å; S41-T45 PolarHBondContact O-N 3.09Å; S41-T45 PolarHBondContact O-OG1 3.31Å; A42-T45 PolarHBondContact O-N 3.1Å; L43-T45 VanDerWaalsContact C-N 3.25Å; L43-T45 PolarHBondContact O-N 3.23Å; T45-S47 PolarHBondContact O-N 3.47Å; T45-R48 PolarHBondContact O-N 3.08Å; T45-K49 HydrophobicContact CG2-CD 4.41Å; T45-K49 WeakPolarHBondContact O-CG 3.19Å; T45-K49 PolarHBondContact O-N 3.17Å
46M81.7Confident80Confident3 Ų357.7 Ų57.72%0.01530%0.297CS..Hα-helixtrans-62.6-45.2179.9-72.2-173.4-71.100112.5E15 L16 L19 A42 L43 R48 K49 M50 F55E15-M46 HydrophobicContact CB-CG 4.02Å; E15-M46 HydrophobicContact CB-SD 3.62Å; E15-M46 WeakPolarHBondContact OE2-CG 3.15Å; L16-M46 WeakPolarHBondContact CA-SD 3.08Å; L16-M46 HydrophobicContact CB-SD 3.89Å; L16-M46 HydrophobicContact CD1-CE 4.39Å; L16-M46 PolarHBondContact N-SD 3.35Å; L19-M46 HydrophobicContact CB-CE 4.1Å; L19-M46 HydrophobicContact CD1-CE 4.46Å; L19-M46 HydrophobicContact CD2-CE 3.48Å; L19-M46 VanDerWaalsContact CD2-CE 3.48Å; L19-M46 HydrophobicContact CG-CE 4.21Å; A42-M46 HydrophobicContact CB-CE 4.35Å; A42-M46 WeakPolarHBondContact O-CB 3.19Å; A42-M46 WeakPolarHBondContact O-CG 3.44Å; A42-M46 PolarHBondContact O-N 2.93Å; L43-M46 HydrophobicContact CD2-CE 3.94Å; L43-M46 HydrophobicContact CG-CE 4.47Å; L43-M46 PolarHBondContact O-N 2.93Å; M46-R48 VanDerWaalsContact C-N 3.26Å; M46-R48 PolarHBondContact O-N 3.44Å; M46-K49 PolarHBondContact O-N 3.19Å; M46-M50 PolarHBondContact O-N 2.89Å; M46-F55 HydrophobicContact CB-CD2 4.32Å; M46-F55 HydrophobicContact CB-CE2 4.34Å
47S79.6Confident81.2Confident4 Ų457.7 Ų57.73%0.02829%0.293CS..Hα-helixtrans-63.9-31.4177.9650000112.6L43 N44 T45 G51 R84L43-S47 VanDerWaalsContact O-CB 3.29Å; L43-S47 WeakPolarHBondContact O-CB 3.42Å; L43-S47 PolarHBondContact O-N 3.38Å; L43-S47 PolarHBondContact O-OG 2.93Å; N44-S47 PolarHBondContact O-OG 3.31Å; T45-S47 PolarHBondContact O-N 3.47Å; S47-G51 CarbonylContact O-C 3.26Å; S47-G51 VanDerWaalsContact O-C 3.26Å; S47-G51 WeakPolarHBondContact O-CA 3.33Å; S47-G51 PolarHBondContact O-N 2.89Å; S47-R84 PolarHBondContact OG-NH1 3.39Å; S47-R84 PolarHBondContact OG-NH2 3.22Å
48R82.2Confident82.2Confident211 Ų21152.9 Ų52.980%0.79627%0.274SS*.Hα-helixtrans-72-41172.7-76.7177.665.5-175.6-0.2112.4N44 T45 M46N44-R48 WeakPolarHBondContact O-CB 2.94Å; N44-R48 VanDerWaalsContact O-CG 3.24Å; N44-R48 WeakPolarHBondContact O-CG 3.44Å; N44-R48 PolarHBondContact O-N 3.19Å; N44-R48 VanDerWaalsContact O-N 3.15Å; T45-R48 PolarHBondContact O-N 3.08Å; M46-R48 VanDerWaalsContact C-N 3.26Å; M46-R48 PolarHBondContact O-N 3.44Å
49K84.4Confident83.2Confident101 Ų10150 Ų5044%0.43925%0.251SS..Hα-helixtrans-67-43.3177.9-73.1-176.8-179.8-178.40112.3A12 E15 T45 M46A12-K49 HydrophobicContact CB-CB 4.1Å; A12-K49 HydrophobicContact CB-CD 4.39Å; E15-K49 IonicContact OE1-NZ 3.81Å; E15-K49 PolarHBondContact OE1-NZ 2.94Å; E15-K49 IonicContact OE2-NZ 2.72Å; T45-K49 HydrophobicContact CG2-CD 4.41Å; T45-K49 WeakPolarHBondContact O-CG 3.19Å; T45-K49 PolarHBondContact O-N 3.17Å; M46-K49 PolarHBondContact O-N 3.19Å
50M84Confident84.2Confident17 Ų1750 Ų508%0.08425%0.25CS..Hα-helixtrans-88.8-23.7-176.7-65.6177.56900114.1A12 A13 M46 K54 F55 C58A12-M50 HydrophobicContact CB-CG 3.29Å; A12-M50 HydrophobicContact CB-SD 3.64Å; A13-M50 HydrophobicContact CB-CE 4.34Å; M46-M50 PolarHBondContact O-N 2.89Å; M50-K54 HydrophobicContact CB-CB 4.38Å; M50-K54 HydrophobicContact CE-CD 4.4Å; M50-K54 HydrophobicContact CE-CG 3.95Å; M50-K54 WeakPolarHBondContact O-CB 3.36Å; M50-F55 HydrophobicContact CB-CB 4.49Å; M50-C58 HydrophobicContact CE-CB 4Å; M50-C58 WeakPolarHBondContact CE-SG 3.48Å
51G85.2Confident85.2Confident32 Ų3255.1 Ų55.133%0.3327%0.272SS..  trans80.8147-159.700000111.7S47 R53 K54 F55S47-G51 CarbonylContact O-C 3.26Å; S47-G51 VanDerWaalsContact O-C 3.26Å; S47-G51 WeakPolarHBondContact O-CA 3.33Å; S47-G51 PolarHBondContact O-N 2.89Å; G51-R53 PolarHBondContact O-N 3.46Å; G51-K54 PolarHBondContact O-N 3.46Å; G51-F55 WeakPolarHBondContact O-CB 3.41Å; G51-F55 PolarHBondContact O-N 3.1Å
52L84.8Confident85.9Confident51 Ų5154.4 Ų54.427%0.26726%0.259SS..Hα-helixtrans-57.9-46.7-173.8-170.864.2000112.7F55 V56 F87L52-F55 WeakPolarHBondContact O-CB 3.43Å; L52-F55 PolarHBondContact O-N 3.11Å; L52-V56 WeakPolarHBondContact O-CG2 3.28Å; L52-V56 PolarHBondContact O-N 2.91Å; L52-F87 HydrophobicContact CD1-CB 4.39Å; L52-F87 HydrophobicContact CD1-CD2 3.76Å; L52-F87 HydrophobicContact CD2-CB 4.36Å
53R87.2Confident86.6Confident157 Ų15752.9 Ų52.959%0.59225%0.246SC*.Hα-helixtrans-59.9-51.4-177.9177.658.1-175.3-93.81.2111.8G51 F55 V56 D57 L90G51-R53 PolarHBondContact O-N 3.46Å; R53-F55 VanDerWaalsContact C-N 3.32Å; R53-F55 PolarHBondContact O-N 2.66Å; R53-V56 PolarHBondContact O-N 3.28Å; R53-D57 IonicContact CZ-OD1 3.94Å; R53-D57 IonicContact NE-OD1 3.01Å; R53-D57 PolarHBondContact NE-OD1 3.48Å; R53-D57 IonicContact NE-OD2 3.19Å; R53-D57 PolarHBondContact NE-OD2 3.28Å; R53-D57 IonicContact NH2-OD1 3.98Å; R53-D57 PolarHBondContact O-N 3.02Å; R53-L90 HydrophobicContact CB-CD2 4.48Å
54K87.8Confident87.4Confident83 Ų8353.8 Ų53.836%0.36125%0.251SS..Hα-helixtrans-63.7-38.3179.8-169.8175.8179.5166.90112M50 G51 D57 C58M50-K54 HydrophobicContact CB-CB 4.38Å; M50-K54 HydrophobicContact CE-CD 4.4Å; M50-K54 HydrophobicContact CE-CG 3.95Å; M50-K54 WeakPolarHBondContact O-CB 3.36Å; G51-K54 PolarHBondContact O-N 3.46Å; K54-D57 PolarHBondContact O-N 3.25Å; K54-C58 WeakPolarHBondContact O-CB 3.27Å; K54-C58 PolarHBondContact O-N 3.14Å; K54-C58 PolarHBondContact O-SG 2.92Å; K54-C58 VanDerWaalsContact O-SG 3.37Å
55F88.1Confident88.2Confident0 Ų055 Ų550%026%0.26CS..Hα-helixtrans-58.2-50173.6172.1-91.4000111.5L16 L43 M46 M50 G51 L52 R53 C58 L59 L76 L80 F87L16-F55 HydrophobicContact CD1-CE2 3.75Å; L16-F55 HydrophobicContact CD1-CZ 4.16Å; L16-F55 HydrophobicContact CD2-CD2 4.43Å; L16-F55 HydrophobicContact CD2-CE2 4.31Å; L43-F55 HydrophobicContact CD2-CE2 3.88Å; L43-F55 HydrophobicContact CD2-CZ 3.48Å; L43-F55 VanDerWaalsContact CD2-CZ 3.48Å; M46-F55 HydrophobicContact CB-CD2 4.32Å; M46-F55 HydrophobicContact CB-CE2 4.34Å; M50-F55 HydrophobicContact CB-CB 4.49Å; G51-F55 WeakPolarHBondContact O-CB 3.41Å; G51-F55 PolarHBondContact O-N 3.1Å; L52-F55 WeakPolarHBondContact O-CB 3.43Å; L52-F55 PolarHBondContact O-N 3.11Å; R53-F55 VanDerWaalsContact C-N 3.32Å; R53-F55 PolarHBondContact O-N 2.66Å; F55-C58 PolarHBondContact O-N 2.84Å; F55-L59 HydrophobicContact CE1-CD2 4.16Å; F55-L59 HydrophobicContact CZ-CD2 4.48Å; F55-L59 WeakPolarHBondContact O-CB 3.38Å; F55-L59 PolarHBondContact O-N 2.76Å; F55-L76 HydrophobicContact CZ-CD2 3.95Å; F55-L80 HydrophobicContact CE1-CD1 3.68Å; F55-L80 HydrophobicContact CZ-CD1 4.07Å; F55-F87 HydrophobicContact CD1-CE2 4.4Å; F55-F87 HydrophobicContact CE1-CE2 4.15Å
56V89.1Confident88.6Confident0 Ų053.9 Ų53.90%025%0.252CS..Hα-helixtrans-66.9-40.4179.9-176.90000111.3L52 R53 C58 L59 H60 F87 L90 I94L52-V56 WeakPolarHBondContact O-CG2 3.28Å; L52-V56 PolarHBondContact O-N 2.91Å; R53-V56 PolarHBondContact O-N 3.28Å; V56-C58 VanDerWaalsContact C-N 3.31Å; V56-C58 PolarHBondContact O-N 2.83Å; V56-L59 PolarHBondContact O-N 3.45Å; V56-H60 VanDerWaalsContact O-CB 3.27Å; V56-H60 WeakPolarHBondContact O-CB 3.31Å; V56-H60 PolarHBondContact O-N 3.19Å; V56-F87 HydrophobicContact CG2-CD2 3.7Å; V56-F87 HydrophobicContact CG2-CE2 3.5Å; V56-F87 VanDerWaalsContact CG2-CE2 3.5Å; V56-F87 HydrophobicContact CG2-CZ 4.49Å; V56-L90 HydrophobicContact CB-CD2 3.77Å; V56-L90 HydrophobicContact CB-CG 4.37Å; V56-L90 HydrophobicContact CG1-CD2 4.19Å; V56-L90 HydrophobicContact CG1-CG 4.25Å; V56-L90 HydrophobicContact CG2-CD2 3.76Å; V56-L90 HydrophobicContact CG2-CG 4.49Å; V56-I94 HydrophobicContact CB-CD1 4.35Å; V56-I94 HydrophobicContact CG1-CD1 3.25Å
57D90Very high89.1Confident61 Ų6154.2 Ų54.233%0.32625%0.254SS..Hα-helixtrans-61.1-39.5176.5-65.1-24.8000111.6R53 K54 K61R53-D57 IonicContact CZ-OD1 3.94Å; R53-D57 IonicContact NE-OD1 3.01Å; R53-D57 PolarHBondContact NE-OD1 3.48Å; R53-D57 IonicContact NE-OD2 3.19Å; R53-D57 PolarHBondContact NE-OD2 3.28Å; R53-D57 IonicContact NH2-OD1 3.98Å; R53-D57 PolarHBondContact O-N 3.02Å; K54-D57 PolarHBondContact O-N 3.25Å; D57-K61 PolarHBondContact O-N 2.78Å
58C90.3Very high89.5Confident37 Ų3755.9 Ų55.925%0.2527%0.266CS..Hα-helixtrans-67.5-42.4175.3-75.10000112.5L16 M50 K54 F55 V56 R62L16-C58 HydrophobicContact CD2-CB 3.9Å; M50-C58 HydrophobicContact CE-CB 4Å; M50-C58 WeakPolarHBondContact CE-SG 3.48Å; K54-C58 WeakPolarHBondContact O-CB 3.27Å; K54-C58 PolarHBondContact O-N 3.14Å; K54-C58 PolarHBondContact O-SG 2.92Å; K54-C58 VanDerWaalsContact O-SG 3.37Å; F55-C58 PolarHBondContact O-N 2.84Å; V56-C58 VanDerWaalsContact C-N 3.31Å; V56-C58 PolarHBondContact O-N 2.83Å; C58-R62 PolarHBondContact O-N 3.49Å; C58-R62 VanDerWaalsContact O-N 3.15Å
59L91.6Very high89.8Confident0 Ų045.9 Ų45.90%023%0.228CC..Hα-helixtrans-63.8-42.8176.2-175.262.3000111.1L16 L20 F55 V56 R62 W63 A73 L76L16-L59 HydrophobicContact CD1-CD1 4.43Å; L16-L59 HydrophobicContact CD2-CB 4.37Å; L20-L59 HydrophobicContact CD1-CD1 3.97Å; L20-L59 HydrophobicContact CD2-CD1 3.79Å; L20-L59 HydrophobicContact CG-CD1 4.42Å; F55-L59 HydrophobicContact CE1-CD2 4.16Å; F55-L59 HydrophobicContact CZ-CD2 4.48Å; F55-L59 WeakPolarHBondContact O-CB 3.38Å; F55-L59 PolarHBondContact O-N 2.76Å; V56-L59 PolarHBondContact O-N 3.45Å; L59-R62 PolarHBondContact O-N 3.05Å; L59-R62 VanDerWaalsContact O-N 3.17Å; L59-W63 VanDerWaalsContact C-CE3 3.45Å; L59-W63 HydrophobicContact CB-CE3 4.38Å; L59-W63 HydrophobicContact CB-CZ3 4.11Å; L59-W63 HydrophobicContact CD1-CE3 4.5Å; L59-W63 HydrophobicContact CD2-CE3 4.36Å; L59-W63 HydrophobicContact CD2-CZ3 3.93Å; L59-W63 HydrophobicContact CG-CE3 3.7Å; L59-W63 HydrophobicContact CG-CZ3 3.62Å; L59-W63 PolarHBondContact O-N 3.38Å; L59-A73 HydrophobicContact CD1-CB 3.93Å; L59-A73 HydrophobicContact CG-CB 4.39Å; L59-L76 HydrophobicContact CD1-CD2 3.79Å; L59-L76 HydrophobicContact CD2-CD2 3.8Å; L59-L76 HydrophobicContact CG-CD2 4.44Å
60H95Very high90.1Very high28 Ų2841 Ų4113%0.1321%0.207CC..Hα-helixtrans-56.2-52.9175.8179.2-155.6000111.6V56 R62 W63 L64 I94 D98V56-H60 VanDerWaalsContact O-CB 3.27Å; V56-H60 WeakPolarHBondContact O-CB 3.31Å; V56-H60 PolarHBondContact O-N 3.19Å; H60-R62 VanDerWaalsContact C-N 3.26Å; H60-R62 PolarHBondContact O-N 3.43Å; H60-W63 HydrophobicContact CB-CH2 3.68Å; H60-W63 HydrophobicContact CB-CZ2 3.63Å; H60-W63 HydrophobicContact CB-CZ3 4.2Å; H60-W63 AromaticContact CD2-CE2 3.32Å; H60-W63 AromaticContact CD2-CZ2 3.21Å; H60-W63 WeakPolarHBondContact CD2-CZ2 3.48Å; H60-W63 AromaticContact CD2-NE1 3.33Å; H60-W63 PolarHBondContact CD2-NE1 3.06Å; H60-W63 VanDerWaalsContact CD2-NE1 3.33Å; H60-W63 AromaticContact CG-CZ2 3.65Å; H60-W63 PolarHBondContact O-N 2.93Å; H60-L64 VanDerWaalsContact NE2-CD1 3.33Å; H60-L64 WeakPolarHBondContact NE2-CD1 3.24Å; H60-L64 WeakPolarHBondContact O-CG 3.39Å; H60-L64 PolarHBondContact O-N 3.49Å; H60-I94 HydrophobicContact CB-CG2 4.41Å; H60-I94 VanDerWaalsContact CE1-CG2 3.47Å; H60-I94 WeakPolarHBondContact CE1-CG2 3.45Å; H60-D98 IonicContact CD2-OD2 3.73Å; H60-D98 IonicContact CE1-OD1 2.71Å; H60-D98 PolarHBondContact CE1-OD1 2.66Å; H60-D98 IonicContact CE1-OD2 3.73Å; H60-D98 VanDerWaalsContact NE2-CG 3.32Å; H60-D98 IonicContact NE2-OD1 3.83Å; H60-D98 PolarHBondContact NE2-OD1 2.71Å; H60-D98 IonicContact NE2-OD2 3.67Å; H60-D98 PolarHBondContact NE2-OD2 3.4Å
61K94.1Very high90.3Very high150 Ų15043.1 Ų43.165%0.65222%0.218SC*.Hα-helixtrans-55.2-43.9176.8-174.4178.1-179.5-179.90111.6D57 L64 T65D57-K61 PolarHBondContact O-N 2.78Å; K61-L64 PolarHBondContact O-N 3.33Å; K61-T65 WeakPolarHBondContact O-CG2 3.32Å; K61-T65 PolarHBondContact O-N 3.13Å; K61-T65 PolarHBondContact O-OG1 3.36Å
62R92.5Very high90.3Very high56 Ų5642.2 Ų42.221%0.21121%0.206CC..Hα-helixtrans-65.9-49.3-178.8-74.5-70-71.8137.33111.9N17 L20 C58 L59 H60 L64 T65 D66 V69N17-R62 VanDerWaalsContact OD1-CD 3.23Å; N17-R62 WeakPolarHBondContact OD1-CD 3.41Å; N17-R62 PolarHBondContact OD1-NE 3.35Å; L20-R62 HydrophobicContact CD1-CB 4.08Å; L20-R62 HydrophobicContact CD1-CG 4.25Å; C58-R62 PolarHBondContact O-N 3.49Å; C58-R62 VanDerWaalsContact O-N 3.15Å; L59-R62 PolarHBondContact O-N 3.05Å; L59-R62 VanDerWaalsContact O-N 3.17Å; H60-R62 VanDerWaalsContact C-N 3.26Å; H60-R62 PolarHBondContact O-N 3.43Å; R62-L64 VanDerWaalsContact C-N 3.27Å; R62-L64 PolarHBondContact O-N 3.5Å; R62-T65 PolarHBondContact O-N 3.22Å; R62-T65 VanDerWaalsContact O-N 3.15Å; R62-T65 PolarHBondContact O-OG1 2.81Å; R62-D66 IonicContact CZ-OD2 2.84Å; R62-D66 IonicContact NH1-OD2 3.77Å; R62-D66 PolarHBondContact NH1-OD2 3.38Å; R62-D66 IonicContact NH2-OD2 3.07Å; R62-D66 PolarHBondContact NH2-OD2 3.46Å; R62-D66 WeakPolarHBondContact O-CB 3.4Å; R62-D66 PolarHBondContact O-N 3.02Å; R62-V69 HydrophobicContact CB-CG1 4.09Å
63W94Very high90.5Very high1 Ų139.8 Ų39.80%0.00419%0.193CC..Hα-helixtrans-65-32.1-179.776.262.2000112.4L59 H60 V69 V70 A73 L91 I94 N115 F119L59-W63 VanDerWaalsContact C-CE3 3.45Å; L59-W63 HydrophobicContact CB-CE3 4.38Å; L59-W63 HydrophobicContact CB-CZ3 4.11Å; L59-W63 HydrophobicContact CD1-CE3 4.5Å; L59-W63 HydrophobicContact CD2-CE3 4.36Å; L59-W63 HydrophobicContact CD2-CZ3 3.93Å; L59-W63 HydrophobicContact CG-CE3 3.7Å; L59-W63 HydrophobicContact CG-CZ3 3.62Å; L59-W63 PolarHBondContact O-N 3.38Å; H60-W63 HydrophobicContact CB-CH2 3.68Å; H60-W63 HydrophobicContact CB-CZ2 3.63Å; H60-W63 HydrophobicContact CB-CZ3 4.2Å; H60-W63 AromaticContact CD2-CE2 3.32Å; H60-W63 AromaticContact CD2-CZ2 3.21Å; H60-W63 WeakPolarHBondContact CD2-CZ2 3.48Å; H60-W63 AromaticContact CD2-NE1 3.33Å; H60-W63 PolarHBondContact CD2-NE1 3.06Å; H60-W63 VanDerWaalsContact CD2-NE1 3.33Å; H60-W63 AromaticContact CG-CZ2 3.65Å; H60-W63 PolarHBondContact O-N 2.93Å; W63-V69 HydrophobicContact CB-CG1 4.38Å; W63-V70 HydrophobicContact CB-CG2 4.41Å; W63-V70 WeakPolarHBondContact O-CG2 3.49Å; W63-A73 HydrophobicContact CB-CB 4.01Å; W63-A73 HydrophobicContact CE3-CB 3.95Å; W63-L91 HydrophobicContact CH2-CD1 3.75Å; W63-L91 HydrophobicContact CZ3-CD1 4.33Å; W63-I94 HydrophobicContact CH2-CG2 4.28Å; W63-I94 HydrophobicContact CZ2-CG2 3.79Å; W63-N115 VanDerWaalsContact O-CB 3.26Å; W63-N115 WeakPolarHBondContact O-CB 3.41Å; W63-N115 PolarHBondContact O-ND2 3.43Å; W63-F119 HydrophobicContact CB-CD2 4.34Å; W63-F119 AromaticContact CD2-CD2 3.75Å; W63-F119 HydrophobicContact CD2-CD2 3.75Å; W63-F119 AromaticContact CD2-CE2 3.9Å; W63-F119 HydrophobicContact CD2-CE2 3.9Å; W63-F119 HydrophobicContact CD2-CG 4.25Å; W63-F119 HydrophobicContact CE3-CD2 4.04Å; W63-F119 AromaticContact CE3-CE2 3.7Å; W63-F119 HydrophobicContact CE3-CE2 3.7Å; W63-F119 HydrophobicContact CE3-CZ 4.24Å; W63-F119 AromaticContact CG-CD2 3.91Å; W63-F119 HydrophobicContact CG-CD2 3.91Å; W63-F119 HydrophobicContact CG-CE2 4.47Å; W63-F119 HydrophobicContact CG-CG 4.39Å; W63-F119 HydrophobicContact CH2-CZ 4.28Å; W63-F119 HydrophobicContact CZ2-CD1 4.5Å; W63-F119 HydrophobicContact CZ2-CE1 4.42Å; W63-F119 HydrophobicContact CZ3-CE2 4.03Å; W63-F119 HydrophobicContact CZ3-CZ 4.11Å
64L95.3Very high90.6Very high20 Ų2032.3 Ų32.311%0.10517%0.165CC..Hα-helixtrans-64.8-40.4174.7-73.1-175000112.1H60 K61 R62 I112 N115H60-L64 VanDerWaalsContact NE2-CD1 3.33Å; H60-L64 WeakPolarHBondContact NE2-CD1 3.24Å; H60-L64 WeakPolarHBondContact O-CG 3.39Å; H60-L64 PolarHBondContact O-N 3.49Å; K61-L64 PolarHBondContact O-N 3.33Å; R62-L64 VanDerWaalsContact C-N 3.27Å; R62-L64 PolarHBondContact O-N 3.5Å; L64-I112 HydrophobicContact CB-CG2 4.26Å; L64-I112 HydrophobicContact CD1-CG2 4.29Å; L64-I112 HydrophobicContact CD2-CG2 4.15Å; L64-I112 HydrophobicContact CG-CG2 4.47Å; L64-N115 PolarHBondContact O-ND2 3.44Å
65T93.5Very high90.3Very high79 Ų7931.1 Ų31.149%0.48516%0.161SC..Hα-helixtrans-91-17.7-172.557.40000115.3K61 R62K61-T65 WeakPolarHBondContact O-CG2 3.32Å; K61-T65 PolarHBondContact O-N 3.13Å; K61-T65 PolarHBondContact O-OG1 3.36Å; R62-T65 PolarHBondContact O-N 3.22Å; R62-T65 VanDerWaalsContact O-N 3.15Å; R62-T65 PolarHBondContact O-OG1 2.81Å
66D91.1Very high90.1Very high41 Ų4131.3 Ų31.322%0.21916%0.162CC..  trans-134.2104.9-170.1-171.7-22000110.1R62 C68 V69R62-D66 IonicContact CZ-OD2 2.84Å; R62-D66 IonicContact NH1-OD2 3.77Å; R62-D66 PolarHBondContact NH1-OD2 3.38Å; R62-D66 IonicContact NH2-OD2 3.07Å; R62-D66 PolarHBondContact NH2-OD2 3.46Å; R62-D66 WeakPolarHBondContact O-CB 3.4Å; R62-D66 PolarHBondContact O-N 3.02Å; D66-C68 PolarHBondContact O-N 2.85Å; D66-C68 WeakPolarHBondContact OD1-CB 3.36Å; D66-C68 PolarHBondContact OD1-N 3.18Å; D66-C68 VanDerWaalsContact OD1-N 3.15Å; D66-V69 HydrophobicContact CB-CB 4.08Å; D66-V69 HydrophobicContact CB-CG2 3.79Å; D66-V69 WeakPolarHBondContact O-CB 3.13Å; D66-V69 PolarHBondContact O-N 2.9Å; D66-V69 WeakPolarHBondContact OD2-CG2 3.39Å
67T90.9Very high89.9Confident10 Ų1031.3 Ų31.36%0.06116%0.162CC..THydrogen-bonded Turntrans-63.3-27.9-174.8-48.90000112.7V69 V70 N115 W298T67-V69 PolarHBondContact O-N 3.21Å; T67-V70 PolarHBondContact O-N 2.7Å; T67-N115 WeakPolarHBondContact CG2-OD1 3.41Å; T67-N115 PolarHBondContact OG1-ND2 2.9Å; T67-N115 PolarHBondContact OG1-OD1 2.79Å; T67-W298 HydrophobicContact CG2-CB 4.07Å; T67-W298 HydrophobicContact CG2-CD2 3.53Å; T67-W298 HydrophobicContact CG2-CE3 3.25Å; T67-W298 HydrophobicContact CG2-CG 3.88Å; T67-W298 HydrophobicContact CG2-CZ3 3.84Å
68C87.7Confident89.5Confident39 Ų3929.6 Ų29.626%0.26415%0.153SC..THydrogen-bonded Turntrans-70.5-23.6176-650000112I24 D66 P72I24-C68 HydrophobicContact CD1-CB 3.97Å; I24-C68 HydrophobicContact CG1-CB 4.48Å; D66-C68 PolarHBondContact O-N 2.85Å; D66-C68 WeakPolarHBondContact OD1-CB 3.36Å; D66-C68 PolarHBondContact OD1-N 3.18Å; D66-C68 VanDerWaalsContact OD1-N 3.15Å; C68-P72 WeakPolarHBondContact O-CD 3.42Å; C68-P72 WeakPolarHBondContact O-CG 3.34Å
69V88.9Confident88.8Confident0 Ų029.9 Ų29.90%015%0.153CC..THydrogen-bonded Turntrans-82.2-21.7-179.8171.10000112.8L20 I24 R62 W63 D66 T67 L71 P72 A73L20-V69 HydrophobicContact CD1-CG1 3.87Å; L20-V69 HydrophobicContact CD2-CG1 4.11Å; L20-V69 HydrophobicContact CG-CG1 4.4Å; I24-V69 HydrophobicContact CD1-CG2 3.94Å; R62-V69 HydrophobicContact CB-CG1 4.09Å; W63-V69 HydrophobicContact CB-CG1 4.38Å; D66-V69 HydrophobicContact CB-CB 4.08Å; D66-V69 HydrophobicContact CB-CG2 3.79Å; D66-V69 WeakPolarHBondContact O-CB 3.13Å; D66-V69 PolarHBondContact O-N 2.9Å; D66-V69 WeakPolarHBondContact OD2-CG2 3.39Å; T67-V69 PolarHBondContact O-N 3.21Å; V69-L71 PolarHBondContact O-N 2.93Å; V69-P72 WeakPolarHBondContact O-CD 3.45Å; V69-A73 HydrophobicContact CG1-CB 4.22Å; V69-A73 VanDerWaalsContact O-CB 3.27Å; V69-A73 WeakPolarHBondContact O-CB 3.41Å; V69-A73 PolarHBondContact O-N 3.5Å
70V91.4Very high88.2Confident0 Ų030.4 Ų30.40%016%0.156CC..Hα-helixtrans-54.8-52.2-172.4177.90000112.3W63 T67 A73 V74 N115 R118 F119W63-V70 HydrophobicContact CB-CG2 4.41Å; W63-V70 WeakPolarHBondContact O-CG2 3.49Å; T67-V70 PolarHBondContact O-N 2.7Å; V70-A73 PolarHBondContact O-N 3.37Å; V70-V74 WeakPolarHBondContact O-CG2 3.46Å; V70-V74 PolarHBondContact O-N 2.9Å; V70-N115 HydrophobicContact CG2-CB 3.87Å; V70-R118 HydrophobicContact CG1-CB 4.12Å; V70-R118 HydrophobicContact CG1-CG 3.78Å; V70-F119 HydrophobicContact CG1-CB 3.97Å; V70-F119 HydrophobicContact CG1-CD2 4.43Å
71L87.7Confident87.4Confident61 Ų6129.9 Ų29.932%0.31916%0.155SC..Hα-helixtrans-68.4-46.6-179.1-177.665.6000112.7V69 A73 V74 H75V69-L71 PolarHBondContact O-N 2.93Å; L71-A73 VanDerWaalsContact C-N 3.26Å; L71-A73 PolarHBondContact O-N 3.4Å; L71-V74 WeakPolarHBondContact O-CB 3.47Å; L71-V74 PolarHBondContact O-N 3.32Å; L71-V74 VanDerWaalsContact O-N 3.13Å; L71-H75 PolarHBondContact O-CD2 2.73Å; L71-H75 PolarHBondContact O-N 3.02Å
72P85.2Confident86.2Confident12 Ų1228.3 Ų28.38%0.07815%0.152CC..Hα-helixtrans-50-43.6167.7-3236000114L20 L23 I24 C68 V69 H75 L76L20-P72 HydrophobicContact CD2-CB 4.43Å; L23-P72 HydrophobicContact CB-CB 3.81Å; L23-P72 HydrophobicContact CB-CG 4.33Å; L23-P72 HydrophobicContact CD1-CB 4.34Å; I24-P72 HydrophobicContact CG1-CG 3.75Å; C68-P72 WeakPolarHBondContact O-CD 3.42Å; C68-P72 WeakPolarHBondContact O-CG 3.34Å; V69-P72 WeakPolarHBondContact O-CD 3.45Å; P72-H75 PolarHBondContact O-N 2.89Å; P72-L76 WeakPolarHBondContact O-CB 3.46Å; P72-L76 PolarHBondContact O-N 2.86Å
73A89.8Confident84.9Confident0 Ų034.4 Ų34.40%018%0.175CC..Hα-helixtrans-66.4-39.3178.400000112L59 W63 V69 V70 L71 L76 C77 F119L59-A73 HydrophobicContact CD1-CB 3.93Å; L59-A73 HydrophobicContact CG-CB 4.39Å; W63-A73 HydrophobicContact CB-CB 4.01Å; W63-A73 HydrophobicContact CE3-CB 3.95Å; V69-A73 HydrophobicContact CG1-CB 4.22Å; V69-A73 VanDerWaalsContact O-CB 3.27Å; V69-A73 WeakPolarHBondContact O-CB 3.41Å; V69-A73 PolarHBondContact O-N 3.5Å; V70-A73 PolarHBondContact O-N 3.37Å; L71-A73 VanDerWaalsContact C-N 3.26Å; L71-A73 PolarHBondContact O-N 3.4Å; A73-L76 WeakPolarHBondContact O-CB 3.48Å; A73-L76 PolarHBondContact O-N 2.58Å; A73-C77 WeakPolarHBondContact O-CB 3.49Å; A73-C77 PolarHBondContact O-N 2.83Å; A73-C77 PolarHBondContact O-SG 3.46Å; A73-F119 HydrophobicContact CB-CD2 4.32Å; A73-F119 HydrophobicContact CB-CE2 3.91Å
74V88.5Confident83.7Confident0 Ų037.8 Ų37.80%019%0.187CC..Hα-helixtrans-59.1-49.1173.3167.20000110.7V70 L71 L76 C77 N78 F119 D122V70-V74 WeakPolarHBondContact O-CG2 3.46Å; V70-V74 PolarHBondContact O-N 2.9Å; L71-V74 WeakPolarHBondContact O-CB 3.47Å; L71-V74 PolarHBondContact O-N 3.32Å; L71-V74 VanDerWaalsContact O-N 3.13Å; V74-L76 VanDerWaalsContact C-N 3.29Å; V74-L76 PolarHBondContact O-N 2.82Å; V74-C77 PolarHBondContact O-N 2.91Å; V74-N78 PolarHBondContact O-N 3.29Å; V74-N78 PolarHBondContact O-ND2 3.49Å; V74-N78 PolarHBondContact O-OD1 3.06Å; V74-F119 HydrophobicContact CB-CE2 4.47Å; V74-F119 HydrophobicContact CG2-CD2 3.61Å; V74-F119 HydrophobicContact CG2-CE2 3.69Å; V74-F119 HydrophobicContact CG2-CG 4.16Å; V74-F119 HydrophobicContact CG2-CZ 4.28Å; V74-D122 HydrophobicContact CG1-CB 4.34Å; V74-D122 HydrophobicContact CG2-CB 3.9Å
75H82Confident82.6Confident59 Ų5942.8 Ų42.827%0.27322%0.219SC..Hα-helixtrans-58.9-42.2177.1-69.7-57.3000112.2S28 L71 P72 N78 T79S28-H75 VanDerWaalsContact CB-CD2 3.46Å; S28-H75 WeakPolarHBondContact CB-CD2 3.36Å; S28-H75 VanDerWaalsContact CB-NE2 3.34Å; S28-H75 WeakPolarHBondContact CB-NE2 3.35Å; S28-H75 PolarHBondContact OG-CD2 3.13Å; S28-H75 PolarHBondContact OG-NE2 2.85Å; L71-H75 PolarHBondContact O-CD2 2.73Å; L71-H75 PolarHBondContact O-N 3.02Å; P72-H75 PolarHBondContact O-N 2.89Å; H75-N78 PolarHBondContact O-N 2.97Å; H75-T79 WeakPolarHBondContact O-CB 3.45Å; H75-T79 PolarHBondContact O-N 3.01Å; H75-T79 PolarHBondContact O-OG1 3.48Å
76L82.5Confident81.9Confident4 Ų441 Ų412%0.02122%0.216CC..Hα-helixtrans-59.5-47.5175.9-152.173.4000112L16 L19 L20 L23 L43 F55 L59 P72 A73 V74 T79 L80L16-L76 HydrophobicContact CD1-CD2 4.35Å; L19-L76 HydrophobicContact CD2-CD1 3.94Å; L20-L76 HydrophobicContact CD2-CD2 4.3Å; L23-L76 HydrophobicContact CD1-CD1 3.84Å; L43-L76 HydrophobicContact CD1-CD1 3.28Å; L43-L76 HydrophobicContact CD1-CG 3.84Å; L43-L76 HydrophobicContact CD2-CD1 3.46Å; L43-L76 VanDerWaalsContact CD2-CD1 3.46Å; L43-L76 HydrophobicContact CD2-CD2 3.58Å; L43-L76 HydrophobicContact CD2-CG 3.59Å; L43-L76 HydrophobicContact CG-CD1 3.81Å; L43-L76 HydrophobicContact CG-CG 4.31Å; F55-L76 HydrophobicContact CZ-CD2 3.95Å; L59-L76 HydrophobicContact CD1-CD2 3.79Å; L59-L76 HydrophobicContact CD2-CD2 3.8Å; L59-L76 HydrophobicContact CG-CD2 4.44Å; P72-L76 WeakPolarHBondContact O-CB 3.46Å; P72-L76 PolarHBondContact O-N 2.86Å; A73-L76 WeakPolarHBondContact O-CB 3.48Å; A73-L76 PolarHBondContact O-N 2.58Å; V74-L76 VanDerWaalsContact C-N 3.29Å; V74-L76 PolarHBondContact O-N 2.82Å; L76-T79 WeakPolarHBondContact O-CB 3.47Å; L76-T79 PolarHBondContact O-N 3.24Å; L76-L80 WeakPolarHBondContact O-CG 3.39Å; L76-L80 PolarHBondContact O-N 3.01Å
77C86.2Confident81.6Confident0 Ų039 Ų390%021%0.206CC..Hα-helixtrans-65-44.2-179.4-75.10000111.4A73 V74 T79 L80 S81 F87 L91 F119 Y123A73-C77 WeakPolarHBondContact O-CB 3.49Å; A73-C77 PolarHBondContact O-N 2.83Å; A73-C77 PolarHBondContact O-SG 3.46Å; V74-C77 PolarHBondContact O-N 2.91Å; C77-T79 VanDerWaalsContact C-N 3.28Å; C77-T79 PolarHBondContact O-N 3.48Å; C77-L80 PolarHBondContact O-N 3.46Å; C77-S81 VanDerWaalsContact O-CB 3.32Å; C77-S81 WeakPolarHBondContact O-CB 3.45Å; C77-S81 PolarHBondContact O-N 3.38Å; C77-S81 PolarHBondContact O-OG 2.89Å; C77-F87 HydrophobicContact CB-CE1 4.01Å; C77-F87 HydrophobicContact CB-CZ 4.15Å; C77-F87 WeakPolarHBondContact O-CE1 3.4Å; C77-L91 HydrophobicContact CB-CD2 3.62Å; C77-F119 HydrophobicContact CB-CZ 4.12Å; C77-Y123 HydrophobicContact CB-CD2 4.16Å; C77-Y123 HydrophobicContact CB-CE2 3.91Å
78N81.1Confident81.3Confident25 Ų2539.1 Ų39.113%0.13421%0.206CC..Hα-helixtrans-57.7-45175.5-62.7-23.5000111.3V74 H75 L80 S81 M82 Y123 S126 N127V74-N78 PolarHBondContact O-N 3.29Å; V74-N78 PolarHBondContact O-ND2 3.49Å; V74-N78 PolarHBondContact O-OD1 3.06Å; H75-N78 PolarHBondContact O-N 2.97Å; N78-L80 VanDerWaalsContact C-N 3.31Å; N78-L80 PolarHBondContact O-N 2.89Å; N78-S81 PolarHBondContact O-N 3.28Å; N78-M82 WeakPolarHBondContact O-CG 3.46Å; N78-M82 PolarHBondContact O-N 3.02Å; N78-Y123 VanDerWaalsContact OD1-CD2 3.25Å; N78-Y123 WeakPolarHBondContact OD1-CD2 3.49Å; N78-Y123 WeakPolarHBondContact OD1-CE2 3.42Å; N78-S126 WeakPolarHBondContact ND2-CB 3.45Å; N78-S126 PolarHBondContact ND2-OG 2.96Å; N78-N127 PolarHBondContact OD1-ND2 2.94Å
79T75.9Confident81.3Confident43 Ų4341.3 Ų41.326%0.26422%0.219SC..Hα-helixtrans-59.5-41.9179.1-58.70000112H40 H75 L76 C77H40-T79 VanDerWaalsContact CD2-CG2 3.47Å; H40-T79 WeakPolarHBondContact CD2-CG2 3.37Å; H40-T79 WeakPolarHBondContact CE1-CG2 3.21Å; H40-T79 WeakPolarHBondContact NE2-CG2 3.28Å; H75-T79 WeakPolarHBondContact O-CB 3.45Å; H75-T79 PolarHBondContact O-N 3.01Å; H75-T79 PolarHBondContact O-OG1 3.48Å; L76-T79 WeakPolarHBondContact O-CB 3.47Å; L76-T79 PolarHBondContact O-N 3.24Å; C77-T79 VanDerWaalsContact C-N 3.28Å; C77-T79 PolarHBondContact O-N 3.48Å
80L78.4Confident81.3Confident11 Ų1142.8 Ų42.86%0.05823%0.226CC..Hα-helixtrans-79.3-35.5-179.2-69.6174.2000113.3L43 F55 L76 C77 N78 M82 R83 R84 F87L43-L80 HydrophobicContact CB-CD2 4.11Å; L43-L80 HydrophobicContact CD1-CD2 4.3Å; L43-L80 HydrophobicContact CD1-CG 4.32Å; L43-L80 HydrophobicContact CD2-CD1 4.34Å; F55-L80 HydrophobicContact CE1-CD1 3.68Å; F55-L80 HydrophobicContact CZ-CD1 4.07Å; L76-L80 WeakPolarHBondContact O-CG 3.39Å; L76-L80 PolarHBondContact O-N 3.01Å; C77-L80 PolarHBondContact O-N 3.46Å; N78-L80 VanDerWaalsContact C-N 3.31Å; N78-L80 PolarHBondContact O-N 2.89Å; L80-M82 PolarHBondContact O-N 2.83Å; L80-R83 PolarHBondContact O-N 3.23Å; L80-R84 PolarHBondContact O-N 3.36Å; L80-F87 HydrophobicContact CB-CD1 3.78Å; L80-F87 HydrophobicContact CB-CD2 4.22Å; L80-F87 HydrophobicContact CB-CE1 3.64Å; L80-F87 HydrophobicContact CB-CE2 4.05Å; L80-F87 HydrophobicContact CB-CG 4.08Å; L80-F87 HydrophobicContact CB-CZ 3.77Å; L80-F87 HydrophobicContact CD1-CD2 4.24Å; L80-F87 HydrophobicContact CD1-CE1 4.44Å; L80-F87 HydrophobicContact CD1-CE2 3.56Å; L80-F87 HydrophobicContact CD1-CZ 3.7Å; L80-F87 HydrophobicContact CG-CE2 4.46Å; L80-F87 HydrophobicContact CG-CZ 4.38Å
81S77.8Confident81.3Confident16 Ų1642.8 Ų42.811%0.11223%0.226CC..Hα-helixtrans-61.2-31.6179.4-700000112.5C77 N78 R83 T88 Y123C77-S81 VanDerWaalsContact O-CB 3.32Å; C77-S81 WeakPolarHBondContact O-CB 3.45Å; C77-S81 PolarHBondContact O-N 3.38Å; C77-S81 PolarHBondContact O-OG 2.89Å; N78-S81 PolarHBondContact O-N 3.28Å; S81-R83 PolarHBondContact O-N 3.44Å; S81-R83 VanDerWaalsContact O-N 3.15Å; S81-T88 PolarHBondContact O-OG1 3.37Å; S81-Y123 PolarHBondContact OG-OH 3.45Å
82M68.7Low81.5Confident118 Ų11841 Ų4158%0.58122%0.216SC*.THydrogen-bonded Turntrans-62.7-18.9177.3-68.6-59.1-66.900114.2N78 L80N78-M82 WeakPolarHBondContact O-CG 3.46Å; N78-M82 PolarHBondContact O-N 3.02Å; L80-M82 PolarHBondContact O-N 2.83Å
83R66.7Low81.9Confident183 Ų18343 Ų4369%0.69123%0.234SC*.THydrogen-bonded Turntrans-123.6-13.3-172.1-61.2-169.4-177-167.82.7114.9L80 S81L80-R83 PolarHBondContact O-N 3.23Å; S81-R83 PolarHBondContact O-N 3.44Å; S81-R83 VanDerWaalsContact O-N 3.15Å
84R67.5Low82.1Confident72 Ų7243.6 Ų43.627%0.27224%0.237SC..  trans-136.596.7-171-65.4-170.9-178.7-175.25.2111.3N44 S47 L80 G86 F87 T88N44-R84 PolarHBondContact OD1-NH2 2.7Å; S47-R84 PolarHBondContact OG-NH1 3.39Å; S47-R84 PolarHBondContact OG-NH2 3.22Å; L80-R84 PolarHBondContact O-N 3.36Å; R84-G86 VanDerWaalsContact C-N 3.25Å; R84-G86 PolarHBondContact O-N 3Å; R84-F87 HydrophobicContact CB-CB 3.75Å; R84-F87 WeakPolarHBondContact O-CA 3.49Å; R84-F87 VanDerWaalsContact O-CB 3.3Å; R84-F87 WeakPolarHBondContact O-CB 3.46Å; R84-F87 PolarHBondContact O-N 3.41Å; R84-T88 PolarHBondContact O-N 3.34Å; R84-T88 PolarHBondContact O-OG1 2.84Å
85T72.5Confident82.5Confident125 Ų12543.9 Ų43.977%0.76724%0.238SC*.Hα-helixtrans-51.3-43.9175.652.80000112.5F87 T88 T89T85-F87 VanDerWaalsContact C-N 3.28Å; T85-F87 PolarHBondContact O-N 2.94Å; T85-T88 WeakPolarHBondContact O-CB 3.28Å; T85-T88 PolarHBondContact O-N 2.74Å; T85-T89 PolarHBondContact O-N 2.79Å; T85-T89 PolarHBondContact O-OG1 2.87Å
86G79.8Confident83.1Confident41 Ų4142.3 Ų42.342%0.42323%0.233SC..Hα-helixtrans-64.2-26.117700000114.8R84 L90R84-G86 VanDerWaalsContact C-N 3.25Å; R84-G86 PolarHBondContact O-N 3Å; G86-L90 WeakPolarHBondContact O-CB 3.41Å; G86-L90 PolarHBondContact O-N 3.49Å
87F83.8Confident83.7Confident0 Ų046 Ų460%025%0.253CS..Hα-helixtrans-71.1-46.6173178.6-91.4000110.3L52 F55 V56 C77 L80 R84 T85 T89 L90 L91L52-F87 HydrophobicContact CD1-CB 4.39Å; L52-F87 HydrophobicContact CD1-CD2 3.76Å; L52-F87 HydrophobicContact CD2-CB 4.36Å; F55-F87 HydrophobicContact CD1-CE2 4.4Å; F55-F87 HydrophobicContact CE1-CE2 4.15Å; V56-F87 HydrophobicContact CG2-CD2 3.7Å; V56-F87 HydrophobicContact CG2-CE2 3.5Å; V56-F87 VanDerWaalsContact CG2-CE2 3.5Å; V56-F87 HydrophobicContact CG2-CZ 4.49Å; C77-F87 HydrophobicContact CB-CE1 4.01Å; C77-F87 HydrophobicContact CB-CZ 4.15Å; C77-F87 WeakPolarHBondContact O-CE1 3.4Å; L80-F87 HydrophobicContact CB-CD1 3.78Å; L80-F87 HydrophobicContact CB-CD2 4.22Å; L80-F87 HydrophobicContact CB-CE1 3.64Å; L80-F87 HydrophobicContact CB-CE2 4.05Å; L80-F87 HydrophobicContact CB-CG 4.08Å; L80-F87 HydrophobicContact CB-CZ 3.77Å; L80-F87 HydrophobicContact CD1-CD2 4.24Å; L80-F87 HydrophobicContact CD1-CE1 4.44Å; L80-F87 HydrophobicContact CD1-CE2 3.56Å; L80-F87 HydrophobicContact CD1-CZ 3.7Å; L80-F87 HydrophobicContact CG-CE2 4.46Å; L80-F87 HydrophobicContact CG-CZ 4.38Å; R84-F87 HydrophobicContact CB-CB 3.75Å; R84-F87 WeakPolarHBondContact O-CA 3.49Å; R84-F87 VanDerWaalsContact O-CB 3.3Å; R84-F87 WeakPolarHBondContact O-CB 3.46Å; R84-F87 PolarHBondContact O-N 3.41Å; T85-F87 VanDerWaalsContact C-N 3.28Å; T85-F87 PolarHBondContact O-N 2.94Å; F87-T89 PolarHBondContact O-N 2.99Å; F87-L90 PolarHBondContact O-N 2.94Å; F87-L91 HydrophobicContact CE1-CD2 4.04Å; F87-L91 WeakPolarHBondContact O-CB 3.46Å; F87-L91 PolarHBondContact O-N 3.16Å
88T84.8Confident84.2Confident12 Ų1246.3 Ų46.37%0.07425%0.254CS..Hα-helixtrans-59.4-44.9178.8-50.60000112S81 R84 T85 L90 L91 H92 N188 L190S81-T88 PolarHBondContact O-OG1 3.37Å; R84-T88 PolarHBondContact O-N 3.34Å; R84-T88 PolarHBondContact O-OG1 2.84Å; T85-T88 WeakPolarHBondContact O-CB 3.28Å; T85-T88 PolarHBondContact O-N 2.74Å; T88-L90 PolarHBondContact O-N 3.11Å; T88-L91 PolarHBondContact O-N 2.82Å; T88-H92 WeakPolarHBondContact O-CB 3.45Å; T88-H92 PolarHBondContact O-N 2.68Å; T88-N188 WeakPolarHBondContact CG2-ND2 3.32Å; T88-L190 HydrophobicContact CG2-CD1 4.15Å
89T87.3Confident84.9Confident86 Ų8648.4 Ų48.453%0.52826%0.261SS..Hα-helixtrans-62.3-42.5176.2-53.40000112.1T85 F87 H92 A93T85-T89 PolarHBondContact O-N 2.79Å; T85-T89 PolarHBondContact O-OG1 2.87Å; F87-T89 PolarHBondContact O-N 2.99Å; T89-H92 PolarHBondContact O-N 3.41Å; T89-A93 WeakPolarHBondContact O-CB 3.4Å; T89-A93 PolarHBondContact O-N 3.29Å
90L89.8Confident85.9Confident31 Ų3155.6 Ų55.616%0.16228%0.283CS..Hα-helixtrans-66.5-42.9178.3179.760.3000111.7R53 V56 G86 F87 T88 A93 I94R53-L90 HydrophobicContact CB-CD2 4.48Å; V56-L90 HydrophobicContact CB-CD2 3.77Å; V56-L90 HydrophobicContact CB-CG 4.37Å; V56-L90 HydrophobicContact CG1-CD2 4.19Å; V56-L90 HydrophobicContact CG1-CG 4.25Å; V56-L90 HydrophobicContact CG2-CD2 3.76Å; V56-L90 HydrophobicContact CG2-CG 4.49Å; G86-L90 WeakPolarHBondContact O-CB 3.41Å; G86-L90 PolarHBondContact O-N 3.49Å; F87-L90 PolarHBondContact O-N 2.94Å; T88-L90 PolarHBondContact O-N 3.11Å; L90-A93 PolarHBondContact O-N 3.44Å; L90-I94 HydrophobicContact CD1-CD1 4.39Å; L90-I94 HydrophobicContact CG-CD1 4.27Å; L90-I94 WeakPolarHBondContact O-CG1 3.34Å; L90-I94 PolarHBondContact O-N 3.13Å
91L92Very high86.7Confident0 Ų058.2 Ų58.20%030%0.297CS..Hα-helixtrans-62.6-43.8177.1-175.863.9000111.4W63 C77 F87 T88 I94 M95 F119 Y123W63-L91 HydrophobicContact CH2-CD1 3.75Å; W63-L91 HydrophobicContact CZ3-CD1 4.33Å; C77-L91 HydrophobicContact CB-CD2 3.62Å; F87-L91 HydrophobicContact CE1-CD2 4.04Å; F87-L91 WeakPolarHBondContact O-CB 3.46Å; F87-L91 PolarHBondContact O-N 3.16Å; T88-L91 PolarHBondContact O-N 2.82Å; L91-I94 PolarHBondContact O-N 3.04Å; L91-M95 HydrophobicContact CG-CE 4.1Å; L91-M95 WeakPolarHBondContact O-CG 3.47Å; L91-M95 PolarHBondContact O-N 3.3Å; L91-F119 HydrophobicContact CD1-CE1 3.88Å; L91-F119 HydrophobicContact CD1-CZ 3.91Å; L91-Y123 HydrophobicContact CD2-CD2 4.06Å; L91-Y123 HydrophobicContact CD2-CE1 4.21Å; L91-Y123 HydrophobicContact CD2-CE2 3.41Å; L91-Y123 VanDerWaalsContact CD2-CE2 3.41Å
92H92.1Very high87.5Confident22 Ų2257.5 Ų57.510%0.10229%0.292CS..Hα-helixtrans-59.7-46.5174.6-176.3-102000111.7T88 T89 I94 M95 V96 L190 E193T88-H92 WeakPolarHBondContact O-CB 3.45Å; T88-H92 PolarHBondContact O-N 2.68Å; T89-H92 PolarHBondContact O-N 3.41Å; H92-I94 VanDerWaalsContact C-N 3.27Å; H92-I94 PolarHBondContact O-N 2.98Å; H92-M95 PolarHBondContact O-N 3.09Å; H92-V96 WeakPolarHBondContact O-CG2 3.48Å; H92-V96 PolarHBondContact O-N 2.81Å; H92-L190 HydrophobicContact CB-CB 4.35Å; H92-L190 HydrophobicContact CB-CD1 3.93Å; H92-L190 PolarHBondContact CD2-O 3.22Å; H92-E193 IonicContact CE1-OE2 3.21Å; H92-E193 PolarHBondContact CE1-OE2 2.89Å; H92-E193 IonicContact NE2-OE2 3.79Å
93A93Very high88.7Confident54 Ų5456.7 Ų56.745%0.44629%0.287SS..Hα-helixtrans-58.8-38.7177.100000112.6T89 L90 N97T89-A93 WeakPolarHBondContact O-CB 3.4Å; T89-A93 PolarHBondContact O-N 3.29Å; L90-A93 PolarHBondContact O-N 3.44Å; A93-N97 VanDerWaalsContact O-CB 3.24Å; A93-N97 WeakPolarHBondContact O-CB 3.5Å; A93-N97 PolarHBondContact O-N 2.88Å
94I94.8Very high90.1Very high13 Ų1352.5 Ų52.57%0.06728%0.275CS..Hα-helixtrans-66.6-48.6175.9-73168.1000111.3V56 H60 W63 L90 L91 H92 V96 N97 D98V56-I94 HydrophobicContact CB-CD1 4.35Å; V56-I94 HydrophobicContact CG1-CD1 3.25Å; H60-I94 HydrophobicContact CB-CG2 4.41Å; H60-I94 VanDerWaalsContact CE1-CG2 3.47Å; H60-I94 WeakPolarHBondContact CE1-CG2 3.45Å; W63-I94 HydrophobicContact CH2-CG2 4.28Å; W63-I94 HydrophobicContact CZ2-CG2 3.79Å; L90-I94 HydrophobicContact CD1-CD1 4.39Å; L90-I94 HydrophobicContact CG-CD1 4.27Å; L90-I94 WeakPolarHBondContact O-CG1 3.34Å; L90-I94 PolarHBondContact O-N 3.13Å; L91-I94 PolarHBondContact O-N 3.04Å; H92-I94 VanDerWaalsContact C-N 3.27Å; H92-I94 PolarHBondContact O-N 2.98Å; I94-V96 VanDerWaalsContact C-N 3.34Å; I94-V96 PolarHBondContact O-N 3.12Å; I94-N97 WeakPolarHBondContact O-CB 3.28Å; I94-N97 PolarHBondContact O-N 2.73Å; I94-N97 VanDerWaalsContact O-N 3.16Å; I94-D98 PolarHBondContact O-N 3.06Å
95M96Very high91.4Very high6 Ų650 Ų503%0.0327%0.267CS..Hα-helixtrans-60.3-42.8178.7-72-172.7-65.100111.9L91 H92 D98 Y99 F119 M120 Y123 L194L91-M95 HydrophobicContact CG-CE 4.1Å; L91-M95 WeakPolarHBondContact O-CG 3.47Å; L91-M95 PolarHBondContact O-N 3.3Å; H92-M95 PolarHBondContact O-N 3.09Å; M95-D98 PolarHBondContact O-N 2.84Å; M95-Y99 WeakPolarHBondContact O-CB 3.37Å; M95-Y99 PolarHBondContact O-N 3.49Å; M95-F119 HydrophobicContact CG-CD1 4.2Å; M95-F119 HydrophobicContact CG-CE1 4.17Å; M95-F119 HydrophobicContact SD-CD1 4.04Å; M95-F119 HydrophobicContact SD-CE1 3.84Å; M95-M120 HydrophobicContact CB-CE 3.82Å; M95-M120 VanDerWaalsContact O-CE 3.27Å; M95-M120 WeakPolarHBondContact O-CE 3.32Å; M95-M120 HydrophobicContact SD-CG 4.47Å; M95-Y123 HydrophobicContact CE-CD1 3.75Å; M95-Y123 HydrophobicContact CE-CE1 3.8Å; M95-Y123 HydrophobicContact SD-CD1 3.88Å; M95-Y123 HydrophobicContact SD-CE1 4.5Å; M95-Y123 HydrophobicContact SD-CG 4.28Å; M95-L194 HydrophobicContact CB-CD2 4.39Å; M95-L194 HydrophobicContact CE-CD1 3.75Å; M95-L194 HydrophobicContact CE-CD2 4.02Å; M95-L194 HydrophobicContact CE-CG 4.49Å; M95-L194 HydrophobicContact SD-CD1 4.17Å; M95-L194 HydrophobicContact SD-CD2 4.48Å
96V94.9Very high92.5Very high26 Ų2645.1 Ų45.116%0.15824%0.235CC..Hα-helixtrans-66.6-38176172.70000111.4H92 I94 Y99 R100H92-V96 WeakPolarHBondContact O-CG2 3.48Å; H92-V96 PolarHBondContact O-N 2.81Å; I94-V96 VanDerWaalsContact C-N 3.34Å; I94-V96 PolarHBondContact O-N 3.12Å; V96-Y99 PolarHBondContact O-N 3.44Å; V96-R100 HydrophobicContact CG1-CG 4.49Å; V96-R100 WeakPolarHBondContact O-CG 3.49Å; V96-R100 PolarHBondContact O-N 3.11Å
97N95.7Very high93.2Very high83 Ų8350.5 Ų50.544%0.44425%0.246SC..Hα-helixtrans-63.1-46.3175.2178.877.6000111.4A93 I94 Y99 R100 N101A93-N97 VanDerWaalsContact O-CB 3.24Å; A93-N97 WeakPolarHBondContact O-CB 3.5Å; A93-N97 PolarHBondContact O-N 2.88Å; I94-N97 WeakPolarHBondContact O-CB 3.28Å; I94-N97 PolarHBondContact O-N 2.73Å; I94-N97 VanDerWaalsContact O-N 3.16Å; N97-Y99 VanDerWaalsContact C-N 3.32Å; N97-Y99 PolarHBondContact O-N 2.88Å; N97-R100 PolarHBondContact O-N 3.41Å; N97-N101 PolarHBondContact O-N 3.22Å; N97-N101 VanDerWaalsContact O-N 3.08Å; N97-N101 PolarHBondContact O-ND2 2.97Å; N97-N101 PolarHBondContact OD1-ND2 3.01Å
98D96.7Very high93.7Very high5 Ų556.4 Ų56.43%0.02728%0.276CS..Hα-helixtrans-62.9-40.8177.7-74.81.4000111.8H60 I94 M95 N101 G102 L105 S116 Y201H60-D98 IonicContact CD2-OD2 3.73Å; H60-D98 IonicContact CE1-OD1 2.71Å; H60-D98 PolarHBondContact CE1-OD1 2.66Å; H60-D98 IonicContact CE1-OD2 3.73Å; H60-D98 VanDerWaalsContact NE2-CG 3.32Å; H60-D98 IonicContact NE2-OD1 3.83Å; H60-D98 PolarHBondContact NE2-OD1 2.71Å; H60-D98 IonicContact NE2-OD2 3.67Å; H60-D98 PolarHBondContact NE2-OD2 3.4Å; I94-D98 PolarHBondContact O-N 3.06Å; M95-D98 PolarHBondContact O-N 2.84Å; D98-N101 CarbonylContact O-C 3.54Å; D98-N101 PolarHBondContact O-N 2.83Å; D98-G102 WeakPolarHBondContact O-CA 3.07Å; D98-G102 PolarHBondContact O-N 2.99Å; D98-L105 HydrophobicContact CB-CD1 3.86Å; D98-S116 WeakPolarHBondContact CB-OG 3.23Å; D98-S116 PolarHBondContact OD2-OG 3.41Å; D98-Y201 PolarHBondContact O-OH 3.28Å
99Y95.8Very high94.2Very high70 Ų7057.6 Ų57.628%0.27529%0.285SS..Hα-helixtrans-58.2-50.8174.3149.5-108.3000111.8M95 V96 N97 N101 G102 P197 H200 Y201M95-Y99 WeakPolarHBondContact O-CB 3.37Å; M95-Y99 PolarHBondContact O-N 3.49Å; V96-Y99 PolarHBondContact O-N 3.44Å; N97-Y99 VanDerWaalsContact C-N 3.32Å; N97-Y99 PolarHBondContact O-N 2.88Å; Y99-N101 PolarHBondContact O-N 3.07Å; Y99-G102 PolarHBondContact O-N 3.14Å; Y99-P197 HydrophobicContact CD1-CB 4.14Å; Y99-P197 HydrophobicContact CD1-CG 3.96Å; Y99-P197 HydrophobicContact CD2-CB 3.87Å; Y99-P197 HydrophobicContact CD2-CG 4.46Å; Y99-P197 HydrophobicContact CE1-CG 4.18Å; Y99-P197 HydrophobicContact CE2-CB 4.35Å; Y99-P197 HydrophobicContact CG-CB 3.76Å; Y99-P197 HydrophobicContact CG-CG 4.12Å; Y99-H200 HydrophobicContact CD2-CB 4.42Å; Y99-H200 AromaticContact CD2-CD2 3.88Å; Y99-H200 HydrophobicContact CE2-CB 3.8Å; Y99-H200 AromaticContact CE2-CD2 3.53Å; Y99-H200 AromaticContact CE2-CG 3.73Å; Y99-Y201 VanDerWaalsContact CA-OH 3.25Å; Y99-Y201 WeakPolarHBondContact CA-OH 3.39Å; Y99-Y201 PolarHBondContact N-OH 3.47Å
100R96.5Very high94.5Very high194 Ų19458.5 Ų58.573%0.73228%0.279SS*.Hα-helixtrans-59.8-31.5178.9-73.7175.8-179.7-178.41.7112.4V96 N97V96-R100 HydrophobicContact CG1-CG 4.49Å; V96-R100 WeakPolarHBondContact O-CG 3.49Å; V96-R100 PolarHBondContact O-N 3.11Å; N97-R100 PolarHBondContact O-N 3.41Å
101N95.4Very high94.7Very high66 Ų6658.5 Ų58.535%0.35328%0.281SS..THydrogen-bonded Turntrans-96.811.5178.2-64.2-65.6000113.1N97 D98 Y99 H103 E104 L105N97-N101 PolarHBondContact O-N 3.22Å; N97-N101 VanDerWaalsContact O-N 3.08Å; N97-N101 PolarHBondContact O-ND2 2.97Å; N97-N101 PolarHBondContact OD1-ND2 3.01Å; D98-N101 CarbonylContact O-C 3.54Å; D98-N101 PolarHBondContact O-N 2.83Å; Y99-N101 PolarHBondContact O-N 3.07Å; N101-H103 VanDerWaalsContact C-N 3.29Å; N101-H103 PolarHBondContact O-N 2.99Å; N101-H103 VanDerWaalsContact O-N 3.15Å; N101-E104 WeakPolarHBondContact O-CA 3.36Å; N101-E104 PolarHBondContact O-N 3.32Å; N101-L105 HydrophobicContact CB-CG 4.46Å; N101-L105 PolarHBondContact O-N 3.43Å
102G93.6Very high94.8Very high1 Ų160.1 Ų60.11%0.0129%0.289CS..Hα-helixtrans-55.6-39.9-168.900000113.9D98 Y99 L105 R106 F113D98-G102 WeakPolarHBondContact O-CA 3.07Å; D98-G102 PolarHBondContact O-N 2.99Å; Y99-G102 PolarHBondContact O-N 3.14Å; G102-L105 PolarHBondContact O-N 2.94Å; G102-R106 WeakPolarHBondContact O-CB 3.47Å; G102-R106 PolarHBondContact O-N 2.9Å; G102-F113 WeakPolarHBondContact O-CD2 3.48Å
103H94.4Very high95.1Very high100 Ų10059.1 Ų59.146%0.46328%0.284SS..Hα-helixtrans-64.1-40.8174.4-73.4-70.1000113N101 R106 K107 L204N101-H103 VanDerWaalsContact C-N 3.29Å; N101-H103 PolarHBondContact O-N 2.99Å; N101-H103 VanDerWaalsContact O-N 3.15Å; H103-R106 PolarHBondContact O-N 3.3Å; H103-K107 WeakPolarHBondContact O-CG 3.3Å; H103-K107 PolarHBondContact O-N 3.15Å; H103-L204 WeakPolarHBondContact CE1-CD2 3.05Å
104E95.3Very high95.2Very high95 Ų9557.1 Ų57.144%0.44427%0.268SS..Hα-helixtrans-70.4-41.2177.5-63.9-52.312800111.3N101 R106 K107 I108N101-E104 WeakPolarHBondContact O-CA 3.36Å; N101-E104 PolarHBondContact O-N 3.32Å; E104-R106 VanDerWaalsContact C-N 3.27Å; E104-R106 PolarHBondContact O-N 3.05Å; E104-K107 WeakPolarHBondContact O-CB 3.47Å; E104-K107 PolarHBondContact O-N 3.13Å; E104-K107 VanDerWaalsContact O-N 3.17Å; E104-K107 IonicContact OE1-NZ 2.79Å; E104-K107 PolarHBondContact OE1-NZ 2.8Å; E104-K107 IonicContact OE2-NZ 3.52Å; E104-I108 WeakPolarHBondContact O-CG1 3.03Å; E104-I108 PolarHBondContact O-N 3.3Å
105L95Very high95.2Very high21 Ų2156.7 Ų56.711%0.1127%0.265CS..Hα-helixtrans-56.4-43.9172.4-66.9-178.1000111D98 N101 G102 K107 I108 S109 I112 F113D98-L105 HydrophobicContact CB-CD1 3.86Å; N101-L105 HydrophobicContact CB-CG 4.46Å; N101-L105 PolarHBondContact O-N 3.43Å; G102-L105 PolarHBondContact O-N 2.94Å; L105-K107 PolarHBondContact O-N 3.29Å; L105-I108 PolarHBondContact O-N 3.4Å; L105-S109 CarbonylContact O-C 3.57Å; L105-S109 PolarHBondContact O-N 2.83Å; L105-I112 HydrophobicContact CB-CG2 4.27Å; L105-I112 HydrophobicContact CD2-CG2 3.9Å; L105-F113 HydrophobicContact CB-CB 4.35Å
106R95.6Very high95.3Very high22 Ų2256.6 Ų56.68%0.08327%0.265CS..Hα-helixtrans-67.3-34.3179.3-164.8173.8-179.5-157.85112.8G102 H103 E104 S109 R110 F113 L204 D207 T209 A210 E214G102-R106 WeakPolarHBondContact O-CB 3.47Å; G102-R106 PolarHBondContact O-N 2.9Å; H103-R106 PolarHBondContact O-N 3.3Å; E104-R106 VanDerWaalsContact C-N 3.27Å; E104-R106 PolarHBondContact O-N 3.05Å; R106-S109 CarbonylContact O-C 3.33Å; R106-R110 HydrophobicContact CG-CG 4.39Å; R106-F113 HydrophobicContact CB-CB 3.73Å; R106-F113 HydrophobicContact CB-CD1 4.2Å; R106-F113 HydrophobicContact CB-CD2 3.95Å; R106-F113 HydrophobicContact CB-CG 3.69Å; R106-F113 HydrophobicContact CG-CB 4.11Å; R106-F113 HydrophobicContact CG-CD1 3.87Å; R106-F113 HydrophobicContact CG-CD2 4.48Å; R106-F113 HydrophobicContact CG-CE1 4.44Å; R106-F113 HydrophobicContact CG-CG 3.9Å; R106-L204 PolarHBondContact NH2-O 3.33Å; R106-D207 IonicContact CZ-OD1 3.47Å; R106-D207 IonicContact CZ-OD2 2.79Å; R106-D207 VanDerWaalsContact NH1-CG 3.28Å; R106-D207 IonicContact NH1-OD1 3.32Å; R106-D207 PolarHBondContact NH1-OD1 3.44Å; R106-D207 IonicContact NH1-OD2 2.89Å; R106-D207 PolarHBondContact NH1-OD2 3.46Å; R106-D207 IonicContact NH2-OD1 3.78Å; R106-D207 PolarHBondContact NH2-OD1 3.31Å; R106-D207 IonicContact NH2-OD2 3.19Å; R106-T209 PolarHBondContact NH1-OG1 3.11Å; R106-T209 VanDerWaalsContact NH1-OG1 3.1Å; R106-T209 VanDerWaalsContact NH2-C 3.31Å; R106-T209 PolarHBondContact NH2-OG1 3.39Å; R106-A210 VanDerWaalsContact NH2-N 3.17Å; R106-E214 IonicContact CZ-OE2 3.72Å; R106-E214 IonicContact NE-OE1 3.92Å; R106-E214 PolarHBondContact NE-OE1 3.24Å; R106-E214 IonicContact NE-OE2 3.61Å; R106-E214 PolarHBondContact NE-OE2 3.38Å; R106-E214 VanDerWaalsContact NE-OE2 3.16Å; R106-E214 IonicContact NH2-OE1 3.62Å; R106-E214 IonicContact NH2-OE2 2.66Å; R106-E214 PolarHBondContact NH2-OE2 2.73Å
107K94.9Very high95.4Very high154 Ų15455.3 Ų55.367%0.6726%0.258SS*.Hα-helixtrans-66.3-41172.2-73.3173.1-174.3170.10112H103 E104 L105H103-K107 WeakPolarHBondContact O-CG 3.3Å; H103-K107 PolarHBondContact O-N 3.15Å; E104-K107 WeakPolarHBondContact O-CB 3.47Å; E104-K107 PolarHBondContact O-N 3.13Å; E104-K107 VanDerWaalsContact O-N 3.17Å; E104-K107 IonicContact OE1-NZ 2.79Å; E104-K107 PolarHBondContact OE1-NZ 2.8Å; E104-K107 IonicContact OE2-NZ 3.52Å; L105-K107 PolarHBondContact O-N 3.29Å
108I94.3Very high95.4Very high123 Ų12352.7 Ų52.763%0.63124%0.242SC*.Hα-helixtrans-66.1-50.9177.1-66.6164.7000110.1E104 L105 I112E104-I108 WeakPolarHBondContact O-CG1 3.03Å; E104-I108 PolarHBondContact O-N 3.3Å; L105-I108 PolarHBondContact O-N 3.4Å; I108-I112 HydrophobicContact CG2-CD1 4.07Å
109S94.8Very high95.4Very high37 Ų3752.6 Ų52.626%0.25924%0.241SC..  trans-163.2129.8177.1170.80000110.7L105 R106 T111 I112 F113L105-S109 CarbonylContact O-C 3.57Å; L105-S109 PolarHBondContact O-N 2.83Å; R106-S109 CarbonylContact O-C 3.33Å; S109-T111 PolarHBondContact O-N 3.21Å; S109-T111 PolarHBondContact OG-N 3.28Å; S109-I112 PolarHBondContact O-N 3.05Å; S109-I112 PolarHBondContact OG-N 2.83Å; S109-F113 PolarHBondContact O-N 3.48Å; S109-F113 VanDerWaalsContact O-N 3.08Å
110R94Very high95.4Very high105 Ų10549.3 Ų49.340%0.39623%0.228SC..Hα-helixtrans-59.1-34.3172.3-69.4179.6175.6-110.47.7112.2R106 F113 A114 T209 S211 E214R106-R110 HydrophobicContact CG-CG 4.39Å; R110-F113 PolarHBondContact O-N 2.86Å; R110-A114 VanDerWaalsContact O-CB 3.27Å; R110-A114 WeakPolarHBondContact O-CB 3.48Å; R110-A114 PolarHBondContact O-N 3.29Å; R110-T209 PolarHBondContact NH1-O 2.98Å; R110-T209 PolarHBondContact NH2-O 3.43Å; R110-S211 VanDerWaalsContact NH1-CB 3.26Å; R110-S211 VanDerWaalsContact NH1-N 3.19Å; R110-S211 PolarHBondContact NH1-OG 2.68Å; R110-E214 IonicContact CZ-OE1 2.83Å; R110-E214 IonicContact NH1-OE1 2.98Å; R110-E214 PolarHBondContact NH1-OE1 3.26Å
111T94Very high95.4Very high32 Ų3240 Ų4020%0.19619%0.193CC..Hα-helixtrans-65.5-44.4176.7-50.70000111.3S109 F113 A114 N115 I301S109-T111 PolarHBondContact O-N 3.21Å; S109-T111 PolarHBondContact OG-N 3.28Å; T111-F113 PolarHBondContact O-N 2.77Å; T111-A114 PolarHBondContact O-N 3.24Å; T111-N115 VanDerWaalsContact O-CB 3.31Å; T111-N115 WeakPolarHBondContact O-CB 3.42Å; T111-N115 VanDerWaalsContact O-CG 3.28Å; T111-N115 PolarHBondContact O-N 3.31Å; T111-N115 PolarHBondContact O-ND2 3.04Å; T111-I301 HydrophobicContact CG2-CG2 3.97Å; T111-I301 VanDerWaalsContact OG1-CG2 3.26Å; T111-I301 WeakPolarHBondContact OG1-CG2 3.4Å
112I95.3Very high95.2Very high34 Ų3437.2 Ų37.217%0.17418%0.178CC..Hα-helixtrans-61.2-46.6177.3-69.2178.1000110.6L64 L105 I108 S109 N115 S116L64-I112 HydrophobicContact CB-CG2 4.26Å; L64-I112 HydrophobicContact CD1-CG2 4.29Å; L64-I112 HydrophobicContact CD2-CG2 4.15Å; L64-I112 HydrophobicContact CG-CG2 4.47Å; L105-I112 HydrophobicContact CB-CG2 4.27Å; L105-I112 HydrophobicContact CD2-CG2 3.9Å; I108-I112 HydrophobicContact CG2-CD1 4.07Å; S109-I112 PolarHBondContact O-N 3.05Å; S109-I112 PolarHBondContact OG-N 2.83Å; I112-N115 PolarHBondContact O-N 3.49Å; I112-S116 WeakPolarHBondContact O-CB 3.21Å; I112-S116 PolarHBondContact O-N 3.24Å
113F96.7Very high95.2Very high0 Ų037.2 Ų37.20%018%0.178CC..Hα-helixtrans-59.4-50.8175.1166.4-102.5000112.4G102 L105 R106 S109 R110 T111 N115 S116 A117 Y201 L204 L205G102-F113 WeakPolarHBondContact O-CD2 3.48Å; L105-F113 HydrophobicContact CB-CB 4.35Å; R106-F113 HydrophobicContact CB-CB 3.73Å; R106-F113 HydrophobicContact CB-CD1 4.2Å; R106-F113 HydrophobicContact CB-CD2 3.95Å; R106-F113 HydrophobicContact CB-CG 3.69Å; R106-F113 HydrophobicContact CG-CB 4.11Å; R106-F113 HydrophobicContact CG-CD1 3.87Å; R106-F113 HydrophobicContact CG-CD2 4.48Å; R106-F113 HydrophobicContact CG-CE1 4.44Å; R106-F113 HydrophobicContact CG-CG 3.9Å; S109-F113 PolarHBondContact O-N 3.48Å; S109-F113 VanDerWaalsContact O-N 3.08Å; R110-F113 PolarHBondContact O-N 2.86Å; T111-F113 PolarHBondContact O-N 2.77Å; F113-N115 VanDerWaalsContact C-N 3.32Å; F113-N115 PolarHBondContact O-N 3.46Å; F113-S116 PolarHBondContact O-N 3.34Å; F113-A117 PolarHBondContact O-N 3.44Å; F113-Y201 HydrophobicContact CD2-CE1 4.2Å; F113-Y201 AromaticContact CE2-CD1 3.66Å; F113-Y201 HydrophobicContact CE2-CD1 3.66Å; F113-Y201 AromaticContact CE2-CE1 3.65Å; F113-Y201 HydrophobicContact CE2-CE1 3.65Å; F113-Y201 HydrophobicContact CZ-CD1 4.08Å; F113-Y201 HydrophobicContact CZ-CE1 4.48Å; F113-L204 HydrophobicContact CE2-CB 4.42Å; F113-L204 HydrophobicContact CE2-CD1 3.82Å; F113-L204 HydrophobicContact CZ-CB 3.74Å; F113-L204 HydrophobicContact CZ-CD1 3.99Å; F113-L205 HydrophobicContact CE1-CD2 3.83Å; F113-L205 HydrophobicContact CZ-CD2 4.38Å
114A95.4Very high95.1Very high12 Ų1232.5 Ų32.510%0.09916%0.156CC..Hα-helixtrans-61.6-40.6-179.200000111.7R110 T111 A117 R118 L217R110-A114 VanDerWaalsContact O-CB 3.27Å; R110-A114 WeakPolarHBondContact O-CB 3.48Å; R110-A114 PolarHBondContact O-N 3.29Å; T111-A114 PolarHBondContact O-N 3.24Å; A114-A117 PolarHBondContact O-N 2.99Å; A114-R118 WeakPolarHBondContact O-CB 3.46Å; A114-R118 PolarHBondContact O-N 3.42Å; A114-L217 HydrophobicContact CB-CD2 4.22Å; A114-L217 WeakPolarHBondContact O-CD2 3.47Å
115N96Very high94.8Very high4 Ų433 Ų332%0.02115%0.153CC..Hα-helixtrans-66.9-38.1177.4-76.7-14.7000112.6W63 L64 T67 V70 T111 I112 F113 R118 F119W63-N115 VanDerWaalsContact O-CB 3.26Å; W63-N115 WeakPolarHBondContact O-CB 3.41Å; W63-N115 PolarHBondContact O-ND2 3.43Å; L64-N115 PolarHBondContact O-ND2 3.44Å; T67-N115 WeakPolarHBondContact CG2-OD1 3.41Å; T67-N115 PolarHBondContact OG1-ND2 2.9Å; T67-N115 PolarHBondContact OG1-OD1 2.79Å; V70-N115 HydrophobicContact CG2-CB 3.87Å; T111-N115 VanDerWaalsContact O-CB 3.31Å; T111-N115 WeakPolarHBondContact O-CB 3.42Å; T111-N115 VanDerWaalsContact O-CG 3.28Å; T111-N115 PolarHBondContact O-N 3.31Å; T111-N115 PolarHBondContact O-ND2 3.04Å; I112-N115 PolarHBondContact O-N 3.49Å; F113-N115 VanDerWaalsContact C-N 3.32Å; F113-N115 PolarHBondContact O-N 3.46Å; N115-R118 PolarHBondContact O-N 3.48Å; N115-F119 WeakPolarHBondContact O-CB 3.31Å; N115-F119 PolarHBondContact O-N 3.24Å
116S97.2Very high94.2Very high4 Ų434.1 Ų34.13%0.02816%0.164CC..Hα-helixtrans-63.6-48.9174.1-173.40000111.9D98 I112 F113 R118 F119 M120 Y201D98-S116 WeakPolarHBondContact CB-OG 3.23Å; D98-S116 PolarHBondContact OD2-OG 3.41Å; I112-S116 WeakPolarHBondContact O-CB 3.21Å; I112-S116 PolarHBondContact O-N 3.24Å; F113-S116 PolarHBondContact O-N 3.34Å; S116-R118 PolarHBondContact O-N 3.45Å; S116-F119 PolarHBondContact O-N 3.34Å; S116-M120 PolarHBondContact O-N 3.13Å; S116-M120 VanDerWaalsContact O-N 3.11Å; S116-Y201 PolarHBondContact OG-OH 3.04Å
117A97.3Very high93.7Very high0 Ų034 Ų340%016%0.164CC..Hα-helixtrans-59.7-45.8175.800000111.5F113 A114 F119 M120 I121 Y201 L217F113-A117 PolarHBondContact O-N 3.44Å; A114-A117 PolarHBondContact O-N 2.99Å; A117-F119 PolarHBondContact O-N 2.72Å; A117-M120 PolarHBondContact O-N 2.94Å; A117-I121 WeakPolarHBondContact O-CB 3.41Å; A117-I121 WeakPolarHBondContact O-CD1 3.3Å; A117-I121 WeakPolarHBondContact O-CG1 3.4Å; A117-I121 PolarHBondContact O-N 3.03Å; A117-Y201 HydrophobicContact CB-CD1 3.96Å; A117-Y201 HydrophobicContact CB-CD2 3.85Å; A117-Y201 HydrophobicContact CB-CE1 4.29Å; A117-Y201 HydrophobicContact CB-CE2 4.16Å; A117-Y201 HydrophobicContact CB-CG 3.74Å; A117-L217 HydrophobicContact CB-CD2 3.97Å
118R96.2Very high92.7Very high28 Ų2827.7 Ų27.711%0.10614%0.137CC..Hα-helixtrans-60-46.3177.5-176.3179.5177.9175.12.5112.1V70 A114 N115 S116 M120 I121 D122 L217V70-R118 HydrophobicContact CG1-CB 4.12Å; V70-R118 HydrophobicContact CG1-CG 3.78Å; A114-R118 WeakPolarHBondContact O-CB 3.46Å; A114-R118 PolarHBondContact O-N 3.42Å; N115-R118 PolarHBondContact O-N 3.48Å; S116-R118 PolarHBondContact O-N 3.45Å; R118-M120 VanDerWaalsContact C-N 3.33Å; R118-M120 PolarHBondContact O-N 3.37Å; R118-I121 PolarHBondContact O-N 3.13Å; R118-D122 WeakPolarHBondContact CG-OD2 3.43Å; R118-D122 IonicContact NE-OD2 3.33Å; R118-D122 PolarHBondContact NE-OD2 3.39Å; R118-D122 WeakPolarHBondContact O-CB 3.16Å; R118-D122 PolarHBondContact O-N 2.95Å; R118-L217 HydrophobicContact CB-CD1 3.64Å; R118-L217 HydrophobicContact CB-CD2 4.01Å; R118-L217 HydrophobicContact CG-CD1 3.83Å
119F96.4Very high91.2Very high2 Ų225.9 Ų25.91%0.00913%0.125CC..Hα-helixtrans-57-48.8177.8-177.1-83.6000110.7W63 V70 A73 V74 C77 L91 M95 N115 S116 A117 I121 D122 Y123W63-F119 HydrophobicContact CB-CD2 4.34Å; W63-F119 AromaticContact CD2-CD2 3.75Å; W63-F119 HydrophobicContact CD2-CD2 3.75Å; W63-F119 AromaticContact CD2-CE2 3.9Å; W63-F119 HydrophobicContact CD2-CE2 3.9Å; W63-F119 HydrophobicContact CD2-CG 4.25Å; W63-F119 HydrophobicContact CE3-CD2 4.04Å; W63-F119 AromaticContact CE3-CE2 3.7Å; W63-F119 HydrophobicContact CE3-CE2 3.7Å; W63-F119 HydrophobicContact CE3-CZ 4.24Å; W63-F119 AromaticContact CG-CD2 3.91Å; W63-F119 HydrophobicContact CG-CD2 3.91Å; W63-F119 HydrophobicContact CG-CE2 4.47Å; W63-F119 HydrophobicContact CG-CG 4.39Å; W63-F119 HydrophobicContact CH2-CZ 4.28Å; W63-F119 HydrophobicContact CZ2-CD1 4.5Å; W63-F119 HydrophobicContact CZ2-CE1 4.42Å; W63-F119 HydrophobicContact CZ3-CE2 4.03Å; W63-F119 HydrophobicContact CZ3-CZ 4.11Å; V70-F119 HydrophobicContact CG1-CB 3.97Å; V70-F119 HydrophobicContact CG1-CD2 4.43Å; A73-F119 HydrophobicContact CB-CD2 4.32Å; A73-F119 HydrophobicContact CB-CE2 3.91Å; V74-F119 HydrophobicContact CB-CE2 4.47Å; V74-F119 HydrophobicContact CG2-CD2 3.61Å; V74-F119 HydrophobicContact CG2-CE2 3.69Å; V74-F119 HydrophobicContact CG2-CG 4.16Å; V74-F119 HydrophobicContact CG2-CZ 4.28Å; C77-F119 HydrophobicContact CB-CZ 4.12Å; L91-F119 HydrophobicContact CD1-CE1 3.88Å; L91-F119 HydrophobicContact CD1-CZ 3.91Å; M95-F119 HydrophobicContact CG-CD1 4.2Å; M95-F119 HydrophobicContact CG-CE1 4.17Å; M95-F119 HydrophobicContact SD-CD1 4.04Å; M95-F119 HydrophobicContact SD-CE1 3.84Å; N115-F119 WeakPolarHBondContact O-CB 3.31Å; N115-F119 PolarHBondContact O-N 3.24Å; S116-F119 PolarHBondContact O-N 3.34Å; A117-F119 PolarHBondContact O-N 2.72Å; F119-I121 PolarHBondContact O-N 3.3Å; F119-D122 PolarHBondContact O-N 3.3Å; F119-Y123 HydrophobicContact CE1-CD2 4.43Å; F119-Y123 HydrophobicContact CE1-CG 4.34Å; F119-Y123 HydrophobicContact CZ-CD2 4.41Å; F119-Y123 WeakPolarHBondContact O-CB 3.33Å; F119-Y123 PolarHBondContact O-N 2.82Å
120M96.5Very high89.1Confident1 Ų127.1 Ų27.11%0.00514%0.138CC..Hα-helixtrans-61.3-43.6179.4-175-176.5-76.800112.3M95 S116 A117 R118 F124 L194 P197 I198 Y201M95-M120 HydrophobicContact CB-CE 3.82Å; M95-M120 VanDerWaalsContact O-CE 3.27Å; M95-M120 WeakPolarHBondContact O-CE 3.32Å; M95-M120 HydrophobicContact SD-CG 4.47Å; S116-M120 PolarHBondContact O-N 3.13Å; S116-M120 VanDerWaalsContact O-N 3.11Å; A117-M120 PolarHBondContact O-N 2.94Å; R118-M120 VanDerWaalsContact C-N 3.33Å; R118-M120 PolarHBondContact O-N 3.37Å; M120-F124 VanDerWaalsContact O-CB 3.3Å; M120-F124 WeakPolarHBondContact O-CB 2.98Å; M120-F124 PolarHBondContact O-N 3.5Å; M120-L194 HydrophobicContact CE-CD2 4.38Å; M120-L194 HydrophobicContact CG-CD2 4.44Å; M120-P197 HydrophobicContact CE-CB 3.88Å; M120-P197 HydrophobicContact SD-CB 3.55Å; M120-P197 VanDerWaalsContact SD-CB 3.55Å; M120-I198 HydrophobicContact CG-CD1 4.22Å; M120-I198 HydrophobicContact CG-CG1 3.75Å; M120-I198 HydrophobicContact SD-CG1 3.73Å; M120-Y201 HydrophobicContact CB-CE2 4.38Å; M120-Y201 HydrophobicContact CE-CD2 4.44Å; M120-Y201 HydrophobicContact CE-CE2 3.74Å; M120-Y201 HydrophobicContact SD-CD2 3.73Å; M120-Y201 HydrophobicContact SD-CE2 3.62Å
121I94.9Very high86.8Confident0 Ų023.2 Ų23.20%013%0.126CC..Hα-helixtrans-63.3-51.5178.6-70.9162.9000110.9A117 R118 F119 F124 R125 I198 L205 L217 A221 L225A117-I121 WeakPolarHBondContact O-CB 3.41Å; A117-I121 WeakPolarHBondContact O-CD1 3.3Å; A117-I121 WeakPolarHBondContact O-CG1 3.4Å; A117-I121 PolarHBondContact O-N 3.03Å; R118-I121 PolarHBondContact O-N 3.13Å; F119-I121 PolarHBondContact O-N 3.3Å; I121-F124 PolarHBondContact O-N 3.45Å; I121-R125 WeakPolarHBondContact O-CB 3.46Å; I121-R125 PolarHBondContact O-N 3.16Å; I121-I198 HydrophobicContact CG1-CG2 4.08Å; I121-L205 HydrophobicContact CD1-CD1 4.45Å; I121-L217 HydrophobicContact CD1-CD1 4.43Å; I121-A221 HydrophobicContact CD1-CB 3.93Å; I121-A221 HydrophobicContact CG2-CB 3.9Å; I121-L225 HydrophobicContact CG2-CD1 3.87Å
122D92.7Very high84Confident6 Ų626.4 Ų26.43%0.03214%0.141CC..Hα-helixtrans-69.1-34.5-178.2-74.4-22.7000111.6V74 R118 F119 S126 H220V74-D122 HydrophobicContact CG1-CB 4.34Å; V74-D122 HydrophobicContact CG2-CB 3.9Å; R118-D122 WeakPolarHBondContact CG-OD2 3.43Å; R118-D122 IonicContact NE-OD2 3.33Å; R118-D122 PolarHBondContact NE-OD2 3.39Å; R118-D122 WeakPolarHBondContact O-CB 3.16Å; R118-D122 PolarHBondContact O-N 2.95Å; F119-D122 PolarHBondContact O-N 3.3Å; D122-S126 WeakPolarHBondContact O-CB 3.33Å; D122-S126 PolarHBondContact O-N 3.11Å; D122-S126 PolarHBondContact O-OG 2.78Å; D122-H220 IonicContact OD1-CD2 3.06Å; D122-H220 IonicContact OD1-CE1 3.96Å; D122-H220 IonicContact OD1-NE2 3.23Å; D122-H220 PolarHBondContact OD1-NE2 3.44Å; D122-H220 IonicContact OD2-NE2 3.89Å
123Y92.5Very high80.8Confident2 Ų228.9 Ų28.91%0.00816%0.159CC..Hα-helixtrans-65.9-48.3173-175-98.1000111.5C77 N78 S81 L91 M95 F119 R125 S126 N127 I191 L194C77-Y123 HydrophobicContact CB-CD2 4.16Å; C77-Y123 HydrophobicContact CB-CE2 3.91Å; N78-Y123 VanDerWaalsContact OD1-CD2 3.25Å; N78-Y123 WeakPolarHBondContact OD1-CD2 3.49Å; N78-Y123 WeakPolarHBondContact OD1-CE2 3.42Å; S81-Y123 PolarHBondContact OG-OH 3.45Å; L91-Y123 HydrophobicContact CD2-CD2 4.06Å; L91-Y123 HydrophobicContact CD2-CE1 4.21Å; L91-Y123 HydrophobicContact CD2-CE2 3.41Å; L91-Y123 VanDerWaalsContact CD2-CE2 3.41Å; M95-Y123 HydrophobicContact CE-CD1 3.75Å; M95-Y123 HydrophobicContact CE-CE1 3.8Å; M95-Y123 HydrophobicContact SD-CD1 3.88Å; M95-Y123 HydrophobicContact SD-CE1 4.5Å; M95-Y123 HydrophobicContact SD-CG 4.28Å; F119-Y123 HydrophobicContact CE1-CD2 4.43Å; F119-Y123 HydrophobicContact CE1-CG 4.34Å; F119-Y123 HydrophobicContact CZ-CD2 4.41Å; F119-Y123 WeakPolarHBondContact O-CB 3.33Å; F119-Y123 PolarHBondContact O-N 2.82Å; Y123-R125 VanDerWaalsContact C-N 3.34Å; Y123-R125 PolarHBondContact O-N 3.07Å; Y123-S126 PolarHBondContact O-N 3.1Å; Y123-N127 WeakPolarHBondContact CE2-ND2 3.2Å; Y123-N127 PolarHBondContact O-N 3.1Å; Y123-N127 VanDerWaalsContact O-N 3.14Å; Y123-N127 PolarHBondContact O-ND2 3.17Å; Y123-I191 HydrophobicContact CD1-CD1 4.19Å; Y123-I191 HydrophobicContact CE1-CD1 3.57Å; Y123-L194 HydrophobicContact CD1-CD1 4.07Å; Y123-L194 HydrophobicContact CE1-CD1 4.48Å
124F92Very high77.8Confident0 Ų031.9 Ų31.90%019%0.19CC..Hα-helixtrans-57-48.6175176.4-90.5000111M120 I121 S126 N127 Y128 I191 L194 I195 I198 L225 I228 F229 L232M120-F124 VanDerWaalsContact O-CB 3.3Å; M120-F124 WeakPolarHBondContact O-CB 2.98Å; M120-F124 PolarHBondContact O-N 3.5Å; I121-F124 PolarHBondContact O-N 3.45Å; F124-S126 VanDerWaalsContact C-N 3.29Å; F124-S126 PolarHBondContact O-N 2.66Å; F124-N127 PolarHBondContact O-N 2.86Å; F124-N127 VanDerWaalsContact O-N 3.15Å; F124-Y128 AromaticContact CE1-CD2 3.81Å; F124-Y128 HydrophobicContact CE1-CD2 3.81Å; F124-Y128 AromaticContact CE1-CG 3.9Å; F124-Y128 HydrophobicContact CE1-CG 3.9Å; F124-Y128 AromaticContact CE2-CD2 3.75Å; F124-Y128 HydrophobicContact CE2-CD2 3.75Å; F124-Y128 HydrophobicContact CE2-CE2 4.42Å; F124-Y128 AromaticContact CZ-CD2 3.22Å; F124-Y128 HydrophobicContact CZ-CD2 3.22Å; F124-Y128 AromaticContact CZ-CE2 3.76Å; F124-Y128 HydrophobicContact CZ-CE2 3.76Å; F124-Y128 AromaticContact CZ-CG 3.82Å; F124-Y128 HydrophobicContact CZ-CG 3.82Å; F124-Y128 VanDerWaalsContact O-CB 3.23Å; F124-Y128 WeakPolarHBondContact O-CB 3.21Å; F124-Y128 PolarHBondContact O-N 2.94Å; F124-I191 HydrophobicContact CD2-CG2 3.69Å; F124-I191 HydrophobicContact CE2-CG2 3.82Å; F124-L194 HydrophobicContact CD2-CB 4.21Å; F124-I195 HydrophobicContact CE2-CG1 3.79Å; F124-I195 HydrophobicContact CZ-CG1 4.09Å; F124-I198 HydrophobicContact CB-CD1 3.48Å; F124-I198 VanDerWaalsContact CB-CD1 3.48Å; F124-I198 HydrophobicContact CD1-CD1 4.1Å; F124-I198 HydrophobicContact CD2-CD1 3.84Å; F124-I198 HydrophobicContact CG-CD1 3.53Å; F124-L225 HydrophobicContact CD1-CD1 3.88Å; F124-L225 HydrophobicContact CD1-CD2 4.15Å; F124-L225 HydrophobicContact CE1-CD2 4.32Å; F124-I228 HydrophobicContact CE1-CG2 4.23Å; F124-I228 HydrophobicContact CZ-CG2 4.49Å; F124-F229 HydrophobicContact CD1-CE1 4.24Å; F124-F229 HydrophobicContact CD1-CZ 4.3Å; F124-F229 AromaticContact CE1-CE1 3.71Å; F124-F229 HydrophobicContact CE1-CE1 3.71Å; F124-F229 HydrophobicContact CE1-CZ 4.17Å; F124-F229 HydrophobicContact CZ-CE1 4.15Å; F124-L232 HydrophobicContact CZ-CD1 4.16Å
125R88.3Confident74.8Confident105 Ų10536 Ų3640%0.39622%0.218SC..Hα-helixtrans-53.4-46.6176.9-179.3-177.5169.6-168.4-4112.9I121 Y123 N127 T224 L225I121-R125 WeakPolarHBondContact O-CB 3.46Å; I121-R125 PolarHBondContact O-N 3.16Å; Y123-R125 VanDerWaalsContact C-N 3.34Å; Y123-R125 PolarHBondContact O-N 3.07Å; R125-N127 VanDerWaalsContact C-N 3.28Å; R125-N127 PolarHBondContact O-N 2.8Å; R125-T224 VanDerWaalsContact NH1-CG2 3.31Å; R125-L225 HydrophobicContact CB-CD1 4.1Å; R125-L225 HydrophobicContact CB-CD2 3.69Å; R125-L225 HydrophobicContact CB-CG 4.1Å; R125-L225 HydrophobicContact CG-CD2 3.84Å; R125-L225 HydrophobicContact CG-CG 4.38Å
126S84.2Confident71.6Confident46 Ų4643.5 Ų43.532%0.32225%0.253SS..Hα-helixtrans-67.9-30.1-176.1-56.90000112.7N78 D122 Y123 F124N78-S126 WeakPolarHBondContact ND2-CB 3.45Å; N78-S126 PolarHBondContact ND2-OG 2.96Å; D122-S126 WeakPolarHBondContact O-CB 3.33Å; D122-S126 PolarHBondContact O-N 3.11Å; D122-S126 PolarHBondContact O-OG 2.78Å; Y123-S126 PolarHBondContact O-N 3.1Å; F124-S126 VanDerWaalsContact C-N 3.29Å; F124-S126 PolarHBondContact O-N 2.66Å
127N83.8Confident68.5Low18 Ų1850.8 Ų50.810%0.09629%0.292CS..Hα-helixtrans-98.1-21.4-177.2-68-85.2000113.2N78 Y123 F124 R125 H129 A130 V131 I191N78-N127 PolarHBondContact OD1-ND2 2.94Å; Y123-N127 WeakPolarHBondContact CE2-ND2 3.2Å; Y123-N127 PolarHBondContact O-N 3.1Å; Y123-N127 VanDerWaalsContact O-N 3.14Å; Y123-N127 PolarHBondContact O-ND2 3.17Å; F124-N127 PolarHBondContact O-N 2.86Å; F124-N127 VanDerWaalsContact O-N 3.15Å; R125-N127 VanDerWaalsContact C-N 3.28Å; R125-N127 PolarHBondContact O-N 2.8Å; N127-H129 PolarHBondContact O-N 2.98Å; N127-A130 PolarHBondContact O-N 3.49Å; N127-V131 WeakPolarHBondContact O-CG2 3.46Å; N127-I191 HydrophobicContact CB-CD1 3.55Å; N127-I191 HydrophobicContact CB-CG1 3.91Å
128Y74.9Confident65.4Low23 Ų2355.4 Ų55.49%0.0933%0.329CS..Hα-helixtrans-71.6-26.8-178.6-169.4-90.9000113.2F124 V131 L132 I228 L232F124-Y128 AromaticContact CE1-CD2 3.81Å; F124-Y128 HydrophobicContact CE1-CD2 3.81Å; F124-Y128 AromaticContact CE1-CG 3.9Å; F124-Y128 HydrophobicContact CE1-CG 3.9Å; F124-Y128 AromaticContact CE2-CD2 3.75Å; F124-Y128 HydrophobicContact CE2-CD2 3.75Å; F124-Y128 HydrophobicContact CE2-CE2 4.42Å; F124-Y128 AromaticContact CZ-CD2 3.22Å; F124-Y128 HydrophobicContact CZ-CD2 3.22Å; F124-Y128 AromaticContact CZ-CE2 3.76Å; F124-Y128 HydrophobicContact CZ-CE2 3.76Å; F124-Y128 AromaticContact CZ-CG 3.82Å; F124-Y128 HydrophobicContact CZ-CG 3.82Å; F124-Y128 VanDerWaalsContact O-CB 3.23Å; F124-Y128 WeakPolarHBondContact O-CB 3.21Å; F124-Y128 PolarHBondContact O-N 2.94Å; Y128-V131 WeakPolarHBondContact O-CB 3.49Å; Y128-L132 HydrophobicContact CE1-CD1 4.13Å; Y128-I228 HydrophobicContact CD1-CD1 3.59Å; Y128-I228 HydrophobicContact CD1-CG1 4.17Å; Y128-I228 HydrophobicContact CD1-CG2 3.78Å; Y128-I228 HydrophobicContact CD2-CG2 4.49Å; Y128-I228 HydrophobicContact CE1-CB 4.32Å; Y128-I228 HydrophobicContact CE1-CD1 4Å; Y128-I228 HydrophobicContact CE1-CG1 4.05Å; Y128-I228 HydrophobicContact CE1-CG2 3.34Å; Y128-I228 HydrophobicContact CE2-CG2 4.11Å; Y128-I228 HydrophobicContact CG-CD1 4.44Å; Y128-I228 HydrophobicContact CG-CG2 4.33Å; Y128-L232 HydrophobicContact CE2-CD1 4.02Å; Y128-L232 HydrophobicContact CE2-CD2 4.42Å; Y128-L232 WeakPolarHBondContact OH-CD2 3.39Å
129H62Low62.2Low84 Ų8462.8 Ų62.839%0.38936%0.362SS..SBendtrans-87.8-20.6176.1-72.5-60.2000114.5N127 V131 L132 Y227 I228N127-H129 PolarHBondContact O-N 2.98Å; H129-V131 PolarHBondContact O-N 3.38Å; H129-L132 PolarHBondContact O-N 3.43Å; H129-Y227 PolarHBondContact CE1-OH 3.34Å; H129-Y227 PolarHBondContact NE2-OH 3.19Å; H129-I228 WeakPolarHBondContact NE2-CD1 3.43Å
130A51Low59.2Low64 Ų6474.4 Ų74.453%0.52941%0.406SS..THydrogen-bonded Turntrans-63.7-6.7169.100000112.5N127N127-A130 PolarHBondContact O-N 3.49Å
131V45.1Very low56.1Low23 Ų2380 Ų8014%0.13945%0.446CS..THydrogen-bonded Turntrans-108.8-8.8-166.91580000112.9N127 Y128 H129 P133 M187N127-V131 WeakPolarHBondContact O-CG2 3.46Å; Y128-V131 WeakPolarHBondContact O-CB 3.49Å; H129-V131 PolarHBondContact O-N 3.38Å; V131-P133 WeakPolarHBondContact O-CD 3.38Å; V131-M187 HydrophobicContact CB-CE 4.39Å; V131-M187 HydrophobicContact CB-CG 4.36Å; V131-M187 HydrophobicContact CB-SD 4.36Å; V131-M187 HydrophobicContact CG1-CE 3.08Å; V131-M187 HydrophobicContact CG1-CG 3.9Å; V131-M187 HydrophobicContact CG1-SD 3.47Å; V131-M187 WeakPolarHBondContact CG1-SD 3.19Å; V131-M187 HydrophobicContact CG2-CG 3.86Å; V131-M187 HydrophobicContact CG2-SD 4.5Å
132L34.9Very low53.2Low99 Ų9992 Ų9252%0.51849%0.491SS..  trans-111103.6178.9-87.1156.9000112Y128 H129 G134Y128-L132 HydrophobicContact CE1-CD1 4.13Å; H129-L132 PolarHBondContact O-N 3.43Å; L132-G134 PolarHBondContact O-N 3.18Å
133P29.1Very low50.5Low86 Ų86100.6 Ų100.656%0.55853%0.528SS*.THydrogen-bonded Turntrans-73.5108.3162.829-27.3000108.1V131 P175V131-P133 WeakPolarHBondContact O-CD 3.38Å; P133-P175 HydrophobicContact CG-CB 3.96Å; P133-P175 HydrophobicContact CG-CG 4.12Å
134G32.3Very low47.8Very low62 Ų62106.7 Ų106.764%0.63956%0.561SS**THydrogen-bonded Turntrans143.115.817300000118.1L132 E136L132-G134 PolarHBondContact O-N 3.18Å; G134-E136 PolarHBondContact O-N 3.18Å
135S32.4Very low45.3Very low98 Ų98114.1 Ų114.169%0.68560%0.598SS**  trans-63.8102.5166.9174.20000110N137S135-N137 PolarHBondContact O-N 2.79Å
136E30Very low42.6Very low163 Ų163114.9 Ų114.976%0.76262%0.617SS**G310 helixtrans-68.214.5-173-74.7-148.9125.500116.1G134 A138G134-E136 PolarHBondContact O-N 3.18Å; E136-A138 PolarHBondContact O-N 3.46Å
137N32.2Very low40.5Very low157 Ų157120.2 Ų120.284%0.8464%0.641SS**G310 helixtrans-88.16.8-177.4-71.4-18.1000115.2S135S135-N137 PolarHBondContact O-N 2.79Å
138A31.6Very low38.2Very low96 Ų96123.4 Ų123.479%0.79367%0.669SS**G310 helixtrans-99.23.7178.800000115.6E136E136-A138 PolarHBondContact O-N 3.46Å
139K30.4Very low36.5Very low183 Ų183128.1 Ų128.180%0.79671%0.705SS**  trans-104.164.5177.2-71.9-177.5-177.7170.40112.6
140R31.8Very low35.4Very low247 Ų247128.2 Ų128.293%0.93272%0.721SS**  trans-142.274162.4-79.3-169.7-178.2171.91.8110.9
141S31Very low34.8Very low119 Ų119132.6 Ų132.683%0.83274%0.735SS**  trans178.179.6148.6-1750000109.3
142R35.3Very low34.6Very low252 Ų252138.4 Ų138.495%0.95177%0.771SS**  trans-146.598.4150.9-112180-165.11745.3107.9
143K35.9Very low34.8Very low185 Ų185139.1 Ų139.180%0.80478%0.784SS**  trans-61.6148.6166.1-117.9177.5178.4178.40109.2
144D36.6Very low35.2Very low131 Ų131139 Ų13970%0.70179%0.79SS**  trans83103.4153.5-46.6-29000117.7
145I37.8Very low35.4Very low155 Ų155141.8 Ų141.880%0.79580%0.8SS**  164.7122.4107.4-75.8153.5000108.7
146P32.4Very low35.3Very low121 Ų121142.8 Ų142.879%0.78681%0.807SS**  trans-104.1141.9-177.736.6-28000113.1
147I39.5Very low35.6Very low159 Ų159143.4 Ų143.482%0.81581%0.812SS**  trans-139.8102.6162.2-58.6-177.8000110.8
148A35Very low35.8Very low84 Ų84142.3 Ų142.369%0.69481%0.811SS**  trans36.3137.4135.800000124.5
149S39.9Very low35.7Very low122 Ų122142.8 Ų142.885%0.85381%0.809SS**  trans78.2135.4143.2-70.80000118.3
150A38.6Very low35.9Very low87 Ų87139.6 Ų139.672%0.71981%0.809SS**  cis-161.9149.23.700000110.4
151N39.3Very low35.8Very low155 Ų155132.4 Ų132.483%0.82980%0.797SS**  trans-7139.6158.4-54.5-20.5000119.2
152V40.2Very low35.9Very low146 Ų146132 Ų13289%0.88579%0.791SS**  -161.2127.8112.4172.60000109.6
153S39.6Very low35.9Very low113 Ų113128 Ų12879%0.7978%0.784SS**  trans-58.9172171.4-34.60000112.5
154A38.4Very low35.9Very low84 Ų84122.6 Ų122.669%0.69477%0.773SS**  cis-169.415020.400000107.9
155S34.9Very low35.9Very low121 Ų121122.5 Ų122.585%0.84677%0.773SS**  trans41.6119.2138-42.70000121.3
156S31.3Very low35.9Very low119 Ų119120.3 Ų120.383%0.83277%0.767SS**  169.5143.5109.4-178.60000112.1
157M35.1Very low36.2Very low175 Ų175118.7 Ų118.786%0.86275%0.754SS**  trans-62.7140.1-175.2-55170.180.200113.4
158T37Very low36.1Very low135 Ų135118.3 Ų118.383%0.82875%0.749SS**  trans-16812513634.80000111.2
159S30.7Very low36.2Very low106 Ų106118.2 Ų118.274%0.74174%0.743SS**  trans6141.4149.257.20000121.8
160S34.5Very low36.1Very low115 Ų115116.3 Ų116.380%0.80472%0.723SS**  trans116.7117.2144.7750000116.3
161S29.1Very low35.9Very low96 Ų96121.3 Ų121.367%0.67173%0.729SS**  trans38.2129.2152.2-169.50000119.9Q163S161-Q163 PolarHBondContact OG-N 2.74Å
162P33.3Very low35.6Very low110 Ų110122.3 Ų122.371%0.71472%0.722SS**  -137.581.8113.135-21.3000111.4A164P162-A164 VanDerWaalsContact C-N 3.31Å
163Q34.6Very low35.4Very low170 Ų170125.7 Ų125.779%0.79472%0.719SS**SBendtrans-91.610.8164.7-111.9-178.612.700113.1S161S161-Q163 PolarHBondContact OG-N 2.74Å
164A35.7Very low35.1Very low71 Ų71125.6 Ų125.659%0.58771%0.705SS**SBendtrans-112.8-3.4-169.900000116P162P162-A164 VanDerWaalsContact C-N 3.31Å
165N36.7Very low35.1Very low129 Ų129124 Ų12469%0.6969%0.687SS**SBendtrans-107.52.8-170.5-77.1-2.3000116.4
166T38.9Very low35.1Very low108 Ų108123.1 Ų123.166%0.66367%0.672SS**SBendtrans-101.8-6-173.8-23.60000114.5
167V38.8Very low35.8Very low87 Ų87119.9 Ų119.953%0.52765%0.648SS.*SBendtrans-106-8.5-175.5-171.70000112.6
168Q36.2Very low35.9Very low152 Ų152115.8 Ų115.871%0.7163%0.632SS**SBendtrans-91.1-7.5176.4-73.5-174.5-11.300114.3
169S37.4Very low36.2Very low81 Ų81111.2 Ų111.257%0.56661%0.606SS**G310 helixtrans-83.8-7.7175.455.10000114.4K171S169-K171 VanDerWaalsContact C-N 3.33Å
170L37.1Very low36.8Very low83 Ų83116 Ų11644%0.43562%0.616SS.*G310 helixtrans-90.66176-75.5159.6000113.4L232L170-L232 HydrophobicContact CD1-CD2 4.26Å; L170-L232 HydrophobicContact CD2-CD2 4.44Å
171K36Very low37.4Very low191 Ų191117.1 Ų117.183%0.8361%0.614SS**G310 helixtrans-110.35.4175.9-101.9-177.2176.7-179.40114.2S169S169-K171 VanDerWaalsContact C-N 3.33Å
172Y32.8Very low38Very low177 Ų177115 Ų11569%0.69461%0.607SS**SBendtrans-125.7115.2-177.8-84.8-85.8000111.4
173R34.4Very low38.3Very low217 Ų217114.7 Ų114.782%0.81960%0.596SS**  trans65.9102.1150-61.1179.5177.6179.7-1.4115P175R173-P175 WeakPolarHBondContact O-CD 3.39Å
174F35.1Very low38.3Very low111 Ų111112.5 Ų112.549%0.48759%0.585SS.*  trans-44.2106.6157.2-60-76.5000108.9L176 M187F174-L176 PolarHBondContact O-N 2.77Å; F174-M187 HydrophobicContact CB-CB 3.99Å; F174-M187 HydrophobicContact CB-SD 4.06Å; F174-M187 HydrophobicContact CD1-CB 3.58Å; F174-M187 HydrophobicContact CD1-CE 3.58Å; F174-M187 HydrophobicContact CD1-CG 3.58Å; F174-M187 HydrophobicContact CD1-SD 3.47Å; F174-M187 WeakPolarHBondContact CD1-SD 3.18Å; F174-M187 HydrophobicContact CE1-CB 4.48Å; F174-M187 HydrophobicContact CE1-CE 3.95Å; F174-M187 HydrophobicContact CE1-CG 4.27Å; F174-M187 HydrophobicContact CE1-SD 4.37Å; F174-M187 HydrophobicContact CG-CB 4.18Å; F174-M187 HydrophobicContact CG-SD 4.24Å
175P37.8Very low38.6Very low51 Ų51114 Ų11433%0.33158%0.577SS.*  trans-73.2127.1175.3-7.225000106.9P133 R173 V177P133-P175 HydrophobicContact CG-CB 3.96Å; P133-P175 HydrophobicContact CG-CG 4.12Å; R173-P175 WeakPolarHBondContact O-CD 3.39Å; P175-V177 PolarHBondContact O-N 2.89Å; P175-V177 VanDerWaalsContact O-N 3.11Å
176L35.6Very low38.8Very low101 Ų101116.6 Ų116.653%0.52959%0.585SS.*  trans-55.6117166.4-72.7149.5000107.5F174 E184F174-L176 PolarHBondContact O-N 2.77Å; L176-E184 HydrophobicContact CB-CB 4.27Å; L176-E184 HydrophobicContact CB-CG 4.29Å; L176-E184 HydrophobicContact CD2-CB 3.71Å; L176-E184 HydrophobicContact CD2-CG 4.36Å; L176-E184 HydrophobicContact CG-CB 4.5Å
177V45.3Very low39.5Very low52 Ų52113 Ų11332%0.31556%0.561SS.*EExtended strand (participates in β ladder)trans-85.9113.6172.5-178.50000106.8P175 Y185P175-V177 PolarHBondContact O-N 2.89Å; P175-V177 VanDerWaalsContact O-N 3.11Å; V177-Y185 PolarHBondContact O-N 3.25Å; V177-Y185 VanDerWaalsContact O-N 3.07Å
178T36.1Very low40.6Very low88 Ų88110.8 Ų110.854%0.5455%0.546SS..EExtended strand (participates in β ladder)trans-80.8120.9173.2-1.20000108.7E184T178-E184 HydrophobicContact CG2-CG 4.02Å
179S44.9Very low41.9Very low39 Ų39107.1 Ų107.127%0.27354%0.535SS..  trans-66166.9168.966.50000111.3N181 G182 E183S179-N181 PolarHBondContact O-N 3.24Å; S179-N181 PolarHBondContact OG-N 3.44Å; S179-G182 PolarHBondContact O-N 3.19Å; S179-E183 PolarHBondContact N-O 3.18Å; S179-E183 PolarHBondContact OG-N 2.86Å; S179-E183 PolarHBondContact OG-O 2.97Å
180E43.3Very low44Very low206 Ų206104.9 Ų104.996%0.96352%0.517SS*.THydrogen-bonded Turntrans-56-17.8172.5-66-173.4156.900113.2
181N46.2Very low46.3Very low140 Ų140101.4 Ų101.475%0.74950%0.498SS*.THydrogen-bonded Turntrans-94.64.1176.9-60.8-19.7000113.6S179 E183S179-N181 PolarHBondContact O-N 3.24Å; S179-N181 PolarHBondContact OG-N 3.44Å; N181-E183 VanDerWaalsContact C-N 3.25Å; N181-E183 PolarHBondContact O-N 3.47Å
182G42.1Very low48.6Very low51 Ų5196.7 Ų96.753%0.52648%0.48SS..SBendtrans76.55.6-178.200000114.8S179S179-G182 PolarHBondContact O-N 3.19Å
183E38.7Very low51.4Low104 Ų10493.6 Ų93.649%0.48647%0.471SS..  trans-78.2124173-65.3-177.3159.400110.1S179 N181 Y185S179-E183 PolarHBondContact N-O 3.18Å; S179-E183 PolarHBondContact OG-N 2.86Å; S179-E183 PolarHBondContact OG-O 2.97Å; N181-E183 VanDerWaalsContact C-N 3.25Å; N181-E183 PolarHBondContact O-N 3.47Å; E183-Y185 HydrophobicContact CB-CD2 4.4Å; E183-Y185 HydrophobicContact CB-CE2 3.65Å; E183-Y185 WeakPolarHBondContact O-CD2 3.47Å; E183-Y185 PolarHBondContact OE2-OH 3.27Å
184E35.1Very low54.2Low123 Ų12383.2 Ų83.258%0.57543%0.432SS*.EExtended strand (participates in β ladder)trans-83.1124.4175.3-64.4178.2168.700109.9L176 T178L176-E184 HydrophobicContact CB-CB 4.27Å; L176-E184 HydrophobicContact CB-CG 4.29Å; L176-E184 HydrophobicContact CD2-CB 3.71Å; L176-E184 HydrophobicContact CD2-CG 4.36Å; L176-E184 HydrophobicContact CG-CB 4.5Å; T178-E184 HydrophobicContact CG2-CG 4.02Å
185Y42.3Very low56.9Low103 Ų10379 Ų7940%0.40442%0.415SS..EExtended strand (participates in β ladder)trans-109.3134.8175.3-68.9-90.6000111.2V177 E183 M187V177-Y185 PolarHBondContact O-N 3.25Å; V177-Y185 VanDerWaalsContact O-N 3.07Å; E183-Y185 HydrophobicContact CB-CD2 4.4Å; E183-Y185 HydrophobicContact CB-CE2 3.65Å; E183-Y185 WeakPolarHBondContact O-CD2 3.47Å; E183-Y185 PolarHBondContact OE2-OH 3.27Å; Y185-M187 PolarHBondContact O-N 2.96Å
186E41.8Very low59.6Low183 Ų18380.6 Ų80.686%0.85542%0.42SS*.  trans-71.9124.2175.2-141.5174-166.600109.4N188E186-N188 PolarHBondContact O-N 3.15Å
187M52.2Low62.5Low34 Ų3476.1 Ų76.117%0.16740%0.397CS..  trans-55.7122.3178-169.7163143.100109.4V131 F174 Y185 P189V131-M187 HydrophobicContact CB-CE 4.39Å; V131-M187 HydrophobicContact CB-CG 4.36Å; V131-M187 HydrophobicContact CB-SD 4.36Å; V131-M187 HydrophobicContact CG1-CE 3.08Å; V131-M187 HydrophobicContact CG1-CG 3.9Å; V131-M187 HydrophobicContact CG1-SD 3.47Å; V131-M187 WeakPolarHBondContact CG1-SD 3.19Å; V131-M187 HydrophobicContact CG2-CG 3.86Å; V131-M187 HydrophobicContact CG2-SD 4.5Å; F174-M187 HydrophobicContact CB-CB 3.99Å; F174-M187 HydrophobicContact CB-SD 4.06Å; F174-M187 HydrophobicContact CD1-CB 3.58Å; F174-M187 HydrophobicContact CD1-CE 3.58Å; F174-M187 HydrophobicContact CD1-CG 3.58Å; F174-M187 HydrophobicContact CD1-SD 3.47Å; F174-M187 WeakPolarHBondContact CD1-SD 3.18Å; F174-M187 HydrophobicContact CE1-CB 4.48Å; F174-M187 HydrophobicContact CE1-CE 3.95Å; F174-M187 HydrophobicContact CE1-CG 4.27Å; F174-M187 HydrophobicContact CE1-SD 4.37Å; F174-M187 HydrophobicContact CG-CB 4.18Å; F174-M187 HydrophobicContact CG-SD 4.24Å; Y185-M187 PolarHBondContact O-N 2.96Å; M187-P189 WeakPolarHBondContact O-CD 3.37Å
188N62.6Low64.9Low40 Ų4073.6 Ų73.621%0.21438%0.382CS..  trans-62.1101.7-174.1179.78.3000110.8T88 E186 L190 I191T88-N188 WeakPolarHBondContact CG2-ND2 3.32Å; E186-N188 PolarHBondContact O-N 3.15Å; N188-L190 PolarHBondContact O-N 3.23Å; N188-L190 WeakPolarHBondContact OD1-CB 3.43Å; N188-L190 PolarHBondContact OD1-N 3.44Å; N188-I191 HydrophobicContact CB-CG1 4.07Å; N188-I191 PolarHBondContact O-N 3.37Å; N188-I191 VanDerWaalsContact O-N 3.08Å
189P64Low67.8Low75 Ų7569.9 Ų69.949%0.48736%0.358SS..G310 helixtrans-64.6-20.6-170.727.9-34.5000111.9M187 I191 E192M187-P189 WeakPolarHBondContact O-CD 3.37Å; P189-I191 PolarHBondContact O-N 2.89Å; P189-E192 PolarHBondContact O-N 3.23Å
190L81.8Confident70.3Confident34 Ų3471.2 Ų71.218%0.17836%0.36CS..G310 helixtrans-70.2-14.5179.9-55.9175.9000113.3T88 H92 N188T88-L190 HydrophobicContact CG2-CD1 4.15Å; H92-L190 HydrophobicContact CB-CB 4.35Å; H92-L190 HydrophobicContact CB-CD1 3.93Å; H92-L190 PolarHBondContact CD2-O 3.22Å; N188-L190 PolarHBondContact O-N 3.23Å; N188-L190 WeakPolarHBondContact OD1-CB 3.43Å; N188-L190 PolarHBondContact OD1-N 3.44Å
191I84.6Confident72.8Confident9 Ų961.4 Ų61.45%0.04631%0.314CS..G310 helixtrans-71.1-37177.2-63.1-59.3000111.2Y123 F124 N127 N188 P189 E193 L194Y123-I191 HydrophobicContact CD1-CD1 4.19Å; Y123-I191 HydrophobicContact CE1-CD1 3.57Å; F124-I191 HydrophobicContact CD2-CG2 3.69Å; F124-I191 HydrophobicContact CE2-CG2 3.82Å; N127-I191 HydrophobicContact CB-CD1 3.55Å; N127-I191 HydrophobicContact CB-CG1 3.91Å; N188-I191 HydrophobicContact CB-CG1 4.07Å; N188-I191 PolarHBondContact O-N 3.37Å; N188-I191 VanDerWaalsContact O-N 3.08Å; P189-I191 PolarHBondContact O-N 2.89Å; I191-E193 VanDerWaalsContact C-N 3.28Å; I191-E193 PolarHBondContact O-N 3.49Å; I191-L194 HydrophobicContact CD1-CD1 4.4Å; I191-L194 WeakPolarHBondContact O-CB 3.4Å; I191-L194 PolarHBondContact O-N 3.19Å
192E84.6Confident75.3Confident93 Ų9354.8 Ų54.844%0.43528%0.279SS..G310 helixtrans-67.3-31.9177.6-66.8-175.6-177.600111.7P189 L194 I195P189-E192 PolarHBondContact O-N 3.23Å; E192-L194 PolarHBondContact O-N 2.6Å; E192-L194 VanDerWaalsContact O-N 3.14Å; E192-I195 HydrophobicContact CB-CD1 4.32Å; E192-I195 WeakPolarHBondContact O-CB 3.37Å; E192-I195 WeakPolarHBondContact O-CD1 3.49Å; E192-I195 VanDerWaalsContact O-CG1 3.31Å; E192-I195 WeakPolarHBondContact O-CG1 3.03Å; E192-I195 PolarHBondContact O-N 3.3Å; E192-I195 VanDerWaalsContact O-N 3.12Å
193E90.5Very high77.9Confident111 Ų11154.3 Ų54.352%0.51927%0.268SS..G310 helixtrans-63.5-17175.6-65.5-174-153.300113.2H92 I191 P197H92-E193 IonicContact CE1-OE2 3.21Å; H92-E193 PolarHBondContact CE1-OE2 2.89Å; H92-E193 IonicContact NE2-OE2 3.79Å; I191-E193 VanDerWaalsContact C-N 3.28Å; I191-E193 PolarHBondContact O-N 3.49Å; E193-P197 WeakPolarHBondContact O-CD 3.4Å
194L93.5Very high80.6Confident0 Ų049.9 Ų49.90%025%0.247CC..G310 helixtrans-82.5-14.1176.9-57.8-179.8000113.7M95 M120 Y123 F124 I191 E192 D196 P197 I198M95-L194 HydrophobicContact CB-CD2 4.39Å; M95-L194 HydrophobicContact CE-CD1 3.75Å; M95-L194 HydrophobicContact CE-CD2 4.02Å; M95-L194 HydrophobicContact CE-CG 4.49Å; M95-L194 HydrophobicContact SD-CD1 4.17Å; M95-L194 HydrophobicContact SD-CD2 4.48Å; M120-L194 HydrophobicContact CE-CD2 4.38Å; M120-L194 HydrophobicContact CG-CD2 4.44Å; Y123-L194 HydrophobicContact CD1-CD1 4.07Å; Y123-L194 HydrophobicContact CE1-CD1 4.48Å; F124-L194 HydrophobicContact CD2-CB 4.21Å; I191-L194 HydrophobicContact CD1-CD1 4.4Å; I191-L194 WeakPolarHBondContact O-CB 3.4Å; I191-L194 PolarHBondContact O-N 3.19Å; E192-L194 PolarHBondContact O-N 2.6Å; E192-L194 VanDerWaalsContact O-N 3.14Å; L194-D196 PolarHBondContact O-N 3.04Å; L194-P197 WeakPolarHBondContact O-CD 3.32Å; L194-I198 HydrophobicContact CB-CD1 4.07Å; L194-I198 WeakPolarHBondContact O-CB 3.21Å; L194-I198 WeakPolarHBondContact O-CD1 3.27Å; L194-I198 WeakPolarHBondContact O-CG1 3.37Å; L194-I198 PolarHBondContact O-N 3.44Å
195I92.6Very high83.6Confident23 Ų2344 Ų4412%0.11822%0.22CC..Hα-helixtrans-59.4-48.4-176.3-65.7166.1000110.7F124 E192 I198 F199 L232F124-I195 HydrophobicContact CE2-CG1 3.79Å; F124-I195 HydrophobicContact CZ-CG1 4.09Å; E192-I195 HydrophobicContact CB-CD1 4.32Å; E192-I195 WeakPolarHBondContact O-CB 3.37Å; E192-I195 WeakPolarHBondContact O-CD1 3.49Å; E192-I195 VanDerWaalsContact O-CG1 3.31Å; E192-I195 WeakPolarHBondContact O-CG1 3.03Å; E192-I195 PolarHBondContact O-N 3.3Å; E192-I195 VanDerWaalsContact O-N 3.12Å; I195-I198 PolarHBondContact O-N 3.08Å; I195-F199 HydrophobicContact CG2-CD2 3.8Å; I195-F199 HydrophobicContact CG2-CE2 3.79Å; I195-F199 VanDerWaalsContact O-CD2 3.32Å; I195-F199 WeakPolarHBondContact O-CD2 3.29Å; I195-F199 PolarHBondContact O-N 3.27Å; I195-L232 HydrophobicContact CD1-CD1 3.84Å; I195-L232 HydrophobicContact CD1-CD2 4.22Å; I195-L232 HydrophobicContact CG1-CD1 4.13Å
196D93.9Very high86.1Confident83 Ų8339.2 Ų39.244%0.44420%0.201SC..Hα-helixtrans-64.4-50.6-179.5-83.123.9000112.6L194 I198 F199 H200 R236L194-D196 PolarHBondContact O-N 3.04Å; D196-I198 VanDerWaalsContact C-N 3.3Å; D196-I198 PolarHBondContact O-N 3.41Å; D196-F199 PolarHBondContact O-N 3.38Å; D196-H200 PolarHBondContact O-N 2.8Å; D196-R236 VanDerWaalsContact CG-NH2 3.3Å; D196-R236 IonicContact OD1-CZ 3.58Å; D196-R236 IonicContact OD1-NH1 3.05Å; D196-R236 PolarHBondContact OD1-NH1 3.12Å; D196-R236 IonicContact OD1-NH2 3.13Å; D196-R236 PolarHBondContact OD1-NH2 3.45Å; D196-R236 IonicContact OD2-CZ 2.73Å; D196-R236 IonicContact OD2-NH1 2.79Å; D196-R236 IonicContact OD2-NH2 3.38Å; D196-R236 PolarHBondContact OD2-NH2 2.91Å
197P96.6Very high88.7Confident7 Ų732 Ų325%0.04517%0.168CC..Hα-helixtrans-51.9-42.5169.6-31.636.9000114.4Y99 M120 E193 L194 H200 Y201Y99-P197 HydrophobicContact CD1-CB 4.14Å; Y99-P197 HydrophobicContact CD1-CG 3.96Å; Y99-P197 HydrophobicContact CD2-CB 3.87Å; Y99-P197 HydrophobicContact CD2-CG 4.46Å; Y99-P197 HydrophobicContact CE1-CG 4.18Å; Y99-P197 HydrophobicContact CE2-CB 4.35Å; Y99-P197 HydrophobicContact CG-CB 3.76Å; Y99-P197 HydrophobicContact CG-CG 4.12Å; M120-P197 HydrophobicContact CE-CB 3.88Å; M120-P197 HydrophobicContact SD-CB 3.55Å; M120-P197 VanDerWaalsContact SD-CB 3.55Å; E193-P197 WeakPolarHBondContact O-CD 3.4Å; L194-P197 WeakPolarHBondContact O-CD 3.32Å; P197-H200 WeakPolarHBondContact O-CB 3.41Å; P197-H200 PolarHBondContact O-N 3.14Å; P197-Y201 PolarHBondContact O-N 3.2Å
198I96.7Very high90.6Very high0 Ų033.2 Ų33.20%019%0.19CC..Hα-helixtrans-67.3-45.2180-67.8163.5000110.9M120 I121 F124 L194 I195 D196 H200 Y201 L202 F229M120-I198 HydrophobicContact CG-CD1 4.22Å; M120-I198 HydrophobicContact CG-CG1 3.75Å; M120-I198 HydrophobicContact SD-CG1 3.73Å; I121-I198 HydrophobicContact CG1-CG2 4.08Å; F124-I198 HydrophobicContact CB-CD1 3.48Å; F124-I198 VanDerWaalsContact CB-CD1 3.48Å; F124-I198 HydrophobicContact CD1-CD1 4.1Å; F124-I198 HydrophobicContact CD2-CD1 3.84Å; F124-I198 HydrophobicContact CG-CD1 3.53Å; L194-I198 HydrophobicContact CB-CD1 4.07Å; L194-I198 WeakPolarHBondContact O-CB 3.21Å; L194-I198 WeakPolarHBondContact O-CD1 3.27Å; L194-I198 WeakPolarHBondContact O-CG1 3.37Å; L194-I198 PolarHBondContact O-N 3.44Å; I195-I198 PolarHBondContact O-N 3.08Å; D196-I198 VanDerWaalsContact C-N 3.3Å; D196-I198 PolarHBondContact O-N 3.41Å; I198-H200 PolarHBondContact O-N 2.66Å; I198-Y201 PolarHBondContact O-N 3.41Å; I198-Y201 VanDerWaalsContact O-N 3.13Å; I198-L202 HydrophobicContact CG2-CD1 4.2Å; I198-L202 HydrophobicContact CG2-CG 4.23Å; I198-L202 WeakPolarHBondContact O-CG 3.46Å; I198-L202 PolarHBondContact O-N 3.32Å; I198-F229 HydrophobicContact CB-CZ 4.37Å; I198-F229 HydrophobicContact CD1-CZ 4.41Å; I198-F229 HydrophobicContact CG2-CE1 4.17Å; I198-F229 HydrophobicContact CG2-CE2 3.9Å; I198-F229 HydrophobicContact CG2-CZ 3.45Å; I198-F229 VanDerWaalsContact CG2-CZ 3.45Å
199F96.6Very high92.1Very high10 Ų1035.1 Ų35.14%0.04420%0.203CC..Hα-helixtrans-57.6-39.1174.2-89.6-71.4000112I195 D196 L202 S203 F229 N233 R236 M237I195-F199 HydrophobicContact CG2-CD2 3.8Å; I195-F199 HydrophobicContact CG2-CE2 3.79Å; I195-F199 VanDerWaalsContact O-CD2 3.32Å; I195-F199 WeakPolarHBondContact O-CD2 3.29Å; I195-F199 PolarHBondContact O-N 3.27Å; D196-F199 PolarHBondContact O-N 3.38Å; F199-L202 HydrophobicContact CD1-CD1 4.5Å; F199-L202 PolarHBondContact O-N 2.76Å; F199-S203 PolarHBondContact O-N 3.38Å; F199-F229 HydrophobicContact CE1-CB 4.4Å; F199-F229 HydrophobicContact CE2-CB 4.45Å; F199-F229 HydrophobicContact CE2-CD1 4.3Å; F199-F229 HydrophobicContact CZ-CB 3.81Å; F199-F229 HydrophobicContact CZ-CD1 4.46Å; F199-F229 HydrophobicContact CZ-CG 4.28Å; F199-N233 HydrophobicContact CE2-CB 3.9Å; F199-N233 HydrophobicContact CZ-CB 3.92Å; F199-R236 HydrophobicContact CD1-CB 3.82Å; F199-R236 HydrophobicContact CE1-CB 3.6Å; F199-R236 HydrophobicContact CE2-CB 4.48Å; F199-R236 HydrophobicContact CG-CB 4.34Å; F199-R236 HydrophobicContact CZ-CB 3.96Å; F199-M237 HydrophobicContact CE1-CG 3.98Å; F199-M237 HydrophobicContact CE1-SD 3.61Å; F199-M237 HydrophobicContact CZ-CG 4.06Å; F199-M237 HydrophobicContact CZ-SD 4.05Å
200H96.1Very high93.5Very high67 Ų6732.3 Ų32.331%0.3119%0.186SC..Hα-helixtrans-63.6-46174.8-177.576.6000112.1Y99 D196 P197 I198 L202 S203 L204Y99-H200 HydrophobicContact CD2-CB 4.42Å; Y99-H200 AromaticContact CD2-CD2 3.88Å; Y99-H200 HydrophobicContact CE2-CB 3.8Å; Y99-H200 AromaticContact CE2-CD2 3.53Å; Y99-H200 AromaticContact CE2-CG 3.73Å; D196-H200 PolarHBondContact O-N 2.8Å; P197-H200 WeakPolarHBondContact O-CB 3.41Å; P197-H200 PolarHBondContact O-N 3.14Å; I198-H200 PolarHBondContact O-N 2.66Å; H200-L202 PolarHBondContact O-N 2.97Å; H200-S203 PolarHBondContact O-N 3.05Å; H200-L204 WeakPolarHBondContact NE2-CD1 3.42Å; H200-L204 PolarHBondContact O-N 2.92Å
201Y97.5Very high93.9Very high0 Ų032 Ų320%019%0.187CC..Hα-helixtrans-59.9-44.2173.9-80.2-40.3000112.2D98 Y99 F113 S116 A117 M120 P197 I198 S203 L204 L205D98-Y201 PolarHBondContact O-OH 3.28Å; Y99-Y201 VanDerWaalsContact CA-OH 3.25Å; Y99-Y201 WeakPolarHBondContact CA-OH 3.39Å; Y99-Y201 PolarHBondContact N-OH 3.47Å; F113-Y201 HydrophobicContact CD2-CE1 4.2Å; F113-Y201 AromaticContact CE2-CD1 3.66Å; F113-Y201 HydrophobicContact CE2-CD1 3.66Å; F113-Y201 AromaticContact CE2-CE1 3.65Å; F113-Y201 HydrophobicContact CE2-CE1 3.65Å; F113-Y201 HydrophobicContact CZ-CD1 4.08Å; F113-Y201 HydrophobicContact CZ-CE1 4.48Å; S116-Y201 PolarHBondContact OG-OH 3.04Å; A117-Y201 HydrophobicContact CB-CD1 3.96Å; A117-Y201 HydrophobicContact CB-CD2 3.85Å; A117-Y201 HydrophobicContact CB-CE1 4.29Å; A117-Y201 HydrophobicContact CB-CE2 4.16Å; A117-Y201 HydrophobicContact CB-CG 3.74Å; M120-Y201 HydrophobicContact CB-CE2 4.38Å; M120-Y201 HydrophobicContact CE-CD2 4.44Å; M120-Y201 HydrophobicContact CE-CE2 3.74Å; M120-Y201 HydrophobicContact SD-CD2 3.73Å; M120-Y201 HydrophobicContact SD-CE2 3.62Å; P197-Y201 PolarHBondContact O-N 3.2Å; I198-Y201 PolarHBondContact O-N 3.41Å; I198-Y201 VanDerWaalsContact O-N 3.13Å; Y201-S203 VanDerWaalsContact C-N 3.26Å; Y201-S203 PolarHBondContact O-N 3.2Å; Y201-L204 HydrophobicContact CD1-CD1 4.45Å; Y201-L204 PolarHBondContact O-N 3.36Å; Y201-L205 WeakPolarHBondContact O-CG 3.26Å; Y201-L205 PolarHBondContact O-N 2.92Å
202L97.5Very high94.2Very high0 Ų035.6 Ų35.60%020%0.2CC..Hα-helixtrans-55.6-43.2176.3-69.5176.1000111.4I198 F199 H200 L205 I206 F218 A221 F229 L240I198-L202 HydrophobicContact CG2-CD1 4.2Å; I198-L202 HydrophobicContact CG2-CG 4.23Å; I198-L202 WeakPolarHBondContact O-CG 3.46Å; I198-L202 PolarHBondContact O-N 3.32Å; F199-L202 HydrophobicContact CD1-CD1 4.5Å; F199-L202 PolarHBondContact O-N 2.76Å; H200-L202 PolarHBondContact O-N 2.97Å; L202-L205 PolarHBondContact O-N 3.03Å; L202-I206 WeakPolarHBondContact O-CG1 3.14Å; L202-F218 HydrophobicContact CB-CD2 4.38Å; L202-F218 HydrophobicContact CB-CE2 4.27Å; L202-F218 HydrophobicContact CD2-CD2 3.96Å; L202-F218 HydrophobicContact CD2-CE2 4.31Å; L202-A221 HydrophobicContact CD2-CB 3.59Å; L202-F229 HydrophobicContact CD1-CD2 3.98Å; L202-F229 HydrophobicContact CD1-CE2 3.97Å; L202-L240 HydrophobicContact CB-CD1 3.99Å; L202-L240 HydrophobicContact CB-CD2 3.97Å; L202-L240 HydrophobicContact CD1-CD2 3.93Å
203S96.8Very high94.5Very high42 Ų4233.1 Ų33.129%0.29419%0.192SC..Hα-helixtrans-63.6-39.7174.5-78.90000113.2F199 H200 Y201 D207 Q243F199-S203 PolarHBondContact O-N 3.38Å; H200-S203 PolarHBondContact O-N 3.05Å; Y201-S203 VanDerWaalsContact C-N 3.26Å; Y201-S203 PolarHBondContact O-N 3.2Å; S203-D207 PolarHBondContact O-N 3.36Å; S203-Q243 PolarHBondContact O-NE2 3.46Å; S203-Q243 PolarHBondContact OG-OE1 3.44Å
204L96.2Very high94.7Very high11 Ų1127.9 Ų27.96%0.05817%0.167CC..Hα-helixtrans-68.9-35.4177.8-69.1-179.2000112.9H103 R106 F113 H200 Y201 I206 D207H103-L204 WeakPolarHBondContact CE1-CD2 3.05Å; R106-L204 PolarHBondContact NH2-O 3.33Å; F113-L204 HydrophobicContact CE2-CB 4.42Å; F113-L204 HydrophobicContact CE2-CD1 3.82Å; F113-L204 HydrophobicContact CZ-CB 3.74Å; F113-L204 HydrophobicContact CZ-CD1 3.99Å; H200-L204 WeakPolarHBondContact NE2-CD1 3.42Å; H200-L204 PolarHBondContact O-N 2.92Å; Y201-L204 HydrophobicContact CD1-CD1 4.45Å; Y201-L204 PolarHBondContact O-N 3.36Å; L204-I206 PolarHBondContact O-N 3.06Å; L204-I206 VanDerWaalsContact O-N 3.16Å; L204-D207 VanDerWaalsContact O-CG 3.28Å; L204-D207 PolarHBondContact O-N 3.41Å
205L96.4Very high94.7Very high0 Ų028 Ų280%017%0.168CC..THydrogen-bonded Turntrans-67.2-12.3-178.6-69.2169.2000113.8F113 I121 Y201 L202 A210 E214 L217 F218F113-L205 HydrophobicContact CE1-CD2 3.83Å; F113-L205 HydrophobicContact CZ-CD2 4.38Å; I121-L205 HydrophobicContact CD1-CD1 4.45Å; Y201-L205 WeakPolarHBondContact O-CG 3.26Å; Y201-L205 PolarHBondContact O-N 2.92Å; L202-L205 PolarHBondContact O-N 3.03Å; L205-A210 VanDerWaalsContact O-CB 3.28Å; L205-A210 WeakPolarHBondContact O-CB 3.43Å; L205-E214 HydrophobicContact CD2-CB 3.74Å; L205-E214 HydrophobicContact CD2-CG 4.08Å; L205-L217 HydrophobicContact CD1-CB 4.44Å; L205-L217 HydrophobicContact CD1-CD2 4.05Å; L205-L217 HydrophobicContact CD1-CG 3.92Å; L205-L217 HydrophobicContact CD2-CB 4.34Å; L205-L217 HydrophobicContact CD2-CD2 3.84Å; L205-L217 HydrophobicContact CD2-CG 4.29Å; L205-F218 HydrophobicContact CB-CB 3.96Å; L205-F218 HydrophobicContact CB-CD2 4.39Å; L205-F218 HydrophobicContact CD1-CB 4.47Å
206I96.3Very high94.7Very high1 Ų128.2 Ų28.21%0.00517%0.17CC..THydrogen-bonded Turntrans-126.315.9176.460.2165.3000112.9L202 L204 F215 F218 L240 Q243 L244 S247 L261L202-I206 WeakPolarHBondContact O-CG1 3.14Å; L204-I206 PolarHBondContact O-N 3.06Å; L204-I206 VanDerWaalsContact O-N 3.16Å; I206-F215 HydrophobicContact CG2-CD1 4.4Å; I206-F218 HydrophobicContact CD1-CE2 3.87Å; I206-F218 HydrophobicContact CD1-CZ 3.92Å; I206-F218 HydrophobicContact CG1-CD2 4.45Å; I206-F218 HydrophobicContact CG1-CE2 4.17Å; I206-F218 HydrophobicContact CG2-CB 3.96Å; I206-F218 HydrophobicContact CG2-CD1 3.61Å; I206-F218 HydrophobicContact CG2-CD2 3.49Å; I206-F218 VanDerWaalsContact CG2-CD2 3.49Å; I206-F218 HydrophobicContact CG2-CE1 3.87Å; I206-F218 HydrophobicContact CG2-CE2 3.76Å; I206-F218 HydrophobicContact CG2-CG 3.39Å; I206-F218 HydrophobicContact CG2-CZ 3.94Å; I206-L240 HydrophobicContact CD1-CD1 3.92Å; I206-L240 HydrophobicContact CD1-CG 4.48Å; I206-Q243 HydrophobicContact CD1-CB 4.03Å; I206-Q243 HydrophobicContact CD1-CG 3.88Å; I206-Q243 HydrophobicContact CG1-CG 4.24Å; I206-L244 HydrophobicContact CD1-CB 4.03Å; I206-L244 HydrophobicContact CG2-CD1 4.49Å; I206-S247 VanDerWaalsContact O-CB 3.28Å; I206-S247 WeakPolarHBondContact O-CB 3.36Å; I206-S247 PolarHBondContact O-OG 3.07Å; I206-L261 HydrophobicContact CG2-CD2 4.08Å
207D94.9Very high94.7Very high32 Ų3224.6 Ų24.617%0.17115%0.151CC..SBendtrans-71.6177.2178.379.85.8000113R106 S203 L204 T209 A210 N251R106-D207 IonicContact CZ-OD1 3.47Å; R106-D207 IonicContact CZ-OD2 2.79Å; R106-D207 VanDerWaalsContact NH1-CG 3.28Å; R106-D207 IonicContact NH1-OD1 3.32Å; R106-D207 PolarHBondContact NH1-OD1 3.44Å; R106-D207 IonicContact NH1-OD2 2.89Å; R106-D207 PolarHBondContact NH1-OD2 3.46Å; R106-D207 IonicContact NH2-OD1 3.78Å; R106-D207 PolarHBondContact NH2-OD1 3.31Å; R106-D207 IonicContact NH2-OD2 3.19Å; S203-D207 PolarHBondContact O-N 3.36Å; L204-D207 VanDerWaalsContact O-CG 3.28Å; L204-D207 PolarHBondContact O-N 3.41Å; D207-T209 PolarHBondContact O-N 2.97Å; D207-T209 WeakPolarHBondContact OD1-CA 3.43Å; D207-T209 PolarHBondContact OD1-N 2.82Å; D207-T209 PolarHBondContact OD1-OG1 3.2Å; D207-T209 PolarHBondContact OD2-OG1 2.9Å; D207-A210 WeakPolarHBondContact O-CB 3.07Å; D207-A210 PolarHBondContact O-N 3.3Å; D207-A210 VanDerWaalsContact O-N 3.1Å; D207-A210 PolarHBondContact OD1-N 3.39Å; D207-A210 VanDerWaalsContact OD1-N 3.11Å; D207-N251 PolarHBondContact O-ND2 3.05Å
208G93.4Very high94.7Very high60 Ų6024.2 Ų24.262%0.61915%0.149SC*.THydrogen-bonded Turntrans-57.6-12.7-179.500000115.7N251G208-N251 WeakPolarHBondContact CA-ND2 3.45Å; G208-N251 WeakPolarHBondContact CA-OD1 3.38Å
209T93Very high94.6Very high79 Ų7925.3 Ų25.349%0.48515%0.154SC..THydrogen-bonded Turntrans-114.50.7-176.965.90000113R106 R110 D207R106-T209 PolarHBondContact NH1-OG1 3.11Å; R106-T209 VanDerWaalsContact NH1-OG1 3.1Å; R106-T209 VanDerWaalsContact NH2-C 3.31Å; R106-T209 PolarHBondContact NH2-OG1 3.39Å; R110-T209 PolarHBondContact NH1-O 2.98Å; R110-T209 PolarHBondContact NH2-O 3.43Å; D207-T209 PolarHBondContact O-N 2.97Å; D207-T209 WeakPolarHBondContact OD1-CA 3.43Å; D207-T209 PolarHBondContact OD1-N 2.82Å; D207-T209 PolarHBondContact OD1-OG1 3.2Å; D207-T209 PolarHBondContact OD2-OG1 2.9Å
210A93.5Very high94.3Very high16 Ų1627.3 Ų27.313%0.13216%0.163CC..  trans-61.8141.7-175.800000113.4R106 L205 D207 E214 F215R106-A210 VanDerWaalsContact NH2-N 3.17Å; L205-A210 VanDerWaalsContact O-CB 3.28Å; L205-A210 WeakPolarHBondContact O-CB 3.43Å; D207-A210 WeakPolarHBondContact O-CB 3.07Å; D207-A210 PolarHBondContact O-N 3.3Å; D207-A210 VanDerWaalsContact O-N 3.1Å; D207-A210 PolarHBondContact OD1-N 3.39Å; D207-A210 VanDerWaalsContact OD1-N 3.11Å; A210-E214 WeakPolarHBondContact CA-OE2 3.48Å; A210-E214 HydrophobicContact CB-CB 4.36Å; A210-F215 HydrophobicContact CB-CD1 4.05Å; A210-F215 HydrophobicContact CB-CE1 3.41Å; A210-F215 VanDerWaalsContact CB-CE1 3.41Å; A210-F215 HydrophobicContact CB-CZ 3.96Å
211S91.4Very high94.3Very high29 Ų2924.1 Ų24.120%0.20315%0.148CC..  trans-102169175.663.10000110.9R110 P213 E214 F215R110-S211 VanDerWaalsContact NH1-CB 3.26Å; R110-S211 VanDerWaalsContact NH1-N 3.19Å; R110-S211 PolarHBondContact NH1-OG 2.68Å; S211-P213 WeakPolarHBondContact OG-CD 3.38Å; S211-E214 WeakPolarHBondContact O-CA 3.41Å; S211-E214 WeakPolarHBondContact O-CB 3.45Å; S211-E214 PolarHBondContact O-N 2.86Å; S211-E214 PolarHBondContact OG-OE1 3.17Å; S211-F215 PolarHBondContact O-N 3.19Å
212R90.3Very high94.1Very high84 Ų8424.1 Ų24.132%0.31715%0.148SC..Hα-helixtrans-53-47.3177.7177178.1-61.8158.76.7114.2E214 F215 V216 D257R212-E214 PolarHBondContact O-N 3.47Å; R212-F215 WeakPolarHBondContact O-CB 3.04Å; R212-F215 PolarHBondContact O-N 2.87Å; R212-F215 VanDerWaalsContact O-N 3.13Å; R212-V216 HydrophobicContact CG-CG2 4.39Å; R212-V216 WeakPolarHBondContact O-CG2 3.19Å; R212-V216 PolarHBondContact O-N 2.96Å; R212-D257 IonicContact CZ-OD1 3.45Å; R212-D257 IonicContact NE-OD1 3.75Å; R212-D257 PolarHBondContact NE-OD1 2.98Å; R212-D257 IonicContact NH2-OD1 3.17Å; R212-D257 PolarHBondContact NH2-OD1 3.17Å; R212-D257 VanDerWaalsContact NH2-OD1 3.13Å; R212-D257 IonicContact NH2-OD2 2.8Å
213P90Very high93.7Very high41 Ų4126.4 Ų26.427%0.26616%0.164SC..Hα-helixtrans-56.1-33.5175-28.636.1000113.8S211 V216 L217 I301S211-P213 WeakPolarHBondContact OG-CD 3.38Å; P213-V216 PolarHBondContact O-N 3.28Å; P213-L217 WeakPolarHBondContact O-CB 3.25Å; P213-L217 PolarHBondContact O-N 2.88Å; P213-I301 HydrophobicContact CB-CD1 4.01Å; P213-I301 HydrophobicContact CG-CD1 4.2Å
214E94.6Very high93.1Very high0 Ų025.6 Ų25.60%016%0.158CC..Hα-helixtrans-72.3-39.4178-61.1172.7-141.100111.1R106 R110 L205 A210 S211 R212 L217 F218R106-E214 IonicContact CZ-OE2 3.72Å; R106-E214 IonicContact NE-OE1 3.92Å; R106-E214 PolarHBondContact NE-OE1 3.24Å; R106-E214 IonicContact NE-OE2 3.61Å; R106-E214 PolarHBondContact NE-OE2 3.38Å; R106-E214 VanDerWaalsContact NE-OE2 3.16Å; R106-E214 IonicContact NH2-OE1 3.62Å; R106-E214 IonicContact NH2-OE2 2.66Å; R106-E214 PolarHBondContact NH2-OE2 2.73Å; R110-E214 IonicContact CZ-OE1 2.83Å; R110-E214 IonicContact NH1-OE1 2.98Å; R110-E214 PolarHBondContact NH1-OE1 3.26Å; L205-E214 HydrophobicContact CD2-CB 3.74Å; L205-E214 HydrophobicContact CD2-CG 4.08Å; A210-E214 WeakPolarHBondContact CA-OE2 3.48Å; A210-E214 HydrophobicContact CB-CB 4.36Å; S211-E214 WeakPolarHBondContact O-CA 3.41Å; S211-E214 WeakPolarHBondContact O-CB 3.45Å; S211-E214 PolarHBondContact O-N 2.86Å; S211-E214 PolarHBondContact OG-OE1 3.17Å; R212-E214 PolarHBondContact O-N 3.47Å; E214-L217 PolarHBondContact O-N 3.32Å; E214-F218 WeakPolarHBondContact O-CB 3.1Å; E214-F218 PolarHBondContact O-N 2.98Å
215F94Very high92.8Very high2 Ų225.1 Ų25.11%0.00916%0.155CC..Hα-helixtrans-62.4-41.9171.2-59.5-33.3000112.7I206 A210 S211 R212 L217 F218 H219 N251 D257 I260 L261I206-F215 HydrophobicContact CG2-CD1 4.4Å; A210-F215 HydrophobicContact CB-CD1 4.05Å; A210-F215 HydrophobicContact CB-CE1 3.41Å; A210-F215 VanDerWaalsContact CB-CE1 3.41Å; A210-F215 HydrophobicContact CB-CZ 3.96Å; S211-F215 PolarHBondContact O-N 3.19Å; R212-F215 WeakPolarHBondContact O-CB 3.04Å; R212-F215 PolarHBondContact O-N 2.87Å; R212-F215 VanDerWaalsContact O-N 3.13Å; F215-L217 VanDerWaalsContact C-N 3.33Å; F215-L217 PolarHBondContact O-N 3.37Å; F215-F218 WeakPolarHBondContact O-CB 3.25Å; F215-F218 PolarHBondContact O-N 3.29Å; F215-H219 WeakPolarHBondContact O-CB 3.27Å; F215-H219 PolarHBondContact O-N 3.23Å; F215-N251 HydrophobicContact CZ-CB 4.5Å; F215-D257 HydrophobicContact CD2-CB 3.78Å; F215-D257 HydrophobicContact CE2-CB 3.84Å; F215-I260 HydrophobicContact CB-CG2 4.19Å; F215-I260 WeakPolarHBondContact O-CG2 3.38Å; F215-L261 HydrophobicContact CB-CD2 4.04Å; F215-L261 HydrophobicContact CD1-CD1 4.11Å; F215-L261 HydrophobicContact CD1-CD2 3.86Å; F215-L261 HydrophobicContact CD1-CG 4.37Å; F215-L261 HydrophobicContact CE1-CD1 4.08Å; F215-L261 HydrophobicContact CG-CD1 4.36Å; F215-L261 HydrophobicContact CG-CD2 4.06Å; F215-L261 HydrophobicContact CG-CG 4.34Å; F215-L261 HydrophobicContact CZ-CD1 4.34Å
216V92.1Very high92.5Very high29 Ų2925.1 Ų25.118%0.17616%0.155CC..Hα-helixtrans-61.9-43175.8172.40000110.4R212 P213 H219 H220 I260 Y292 W298R212-V216 HydrophobicContact CG-CG2 4.39Å; R212-V216 WeakPolarHBondContact O-CG2 3.19Å; R212-V216 PolarHBondContact O-N 2.96Å; P213-V216 PolarHBondContact O-N 3.28Å; V216-H219 PolarHBondContact O-N 3.03Å; V216-H220 WeakPolarHBondContact O-CB 3.39Å; V216-H220 PolarHBondContact O-N 3.47Å; V216-I260 HydrophobicContact CG2-CD1 3.75Å; V216-Y292 HydrophobicContact CG2-CD1 4.28Å; V216-W298 HydrophobicContact CG1-CH2 4.45Å
217L94.6Very high92.1Very high6 Ų630.3 Ų30.33%0.03118%0.175CC..Hα-helixtrans-65.9-40.3176.7179.157.2000112.3A114 A117 R118 I121 L205 P213 E214 F215 H220 A221A114-L217 HydrophobicContact CB-CD2 4.22Å; A114-L217 WeakPolarHBondContact O-CD2 3.47Å; A117-L217 HydrophobicContact CB-CD2 3.97Å; R118-L217 HydrophobicContact CB-CD1 3.64Å; R118-L217 HydrophobicContact CB-CD2 4.01Å; R118-L217 HydrophobicContact CG-CD1 3.83Å; I121-L217 HydrophobicContact CD1-CD1 4.43Å; L205-L217 HydrophobicContact CD1-CB 4.44Å; L205-L217 HydrophobicContact CD1-CD2 4.05Å; L205-L217 HydrophobicContact CD1-CG 3.92Å; L205-L217 HydrophobicContact CD2-CB 4.34Å; L205-L217 HydrophobicContact CD2-CD2 3.84Å; L205-L217 HydrophobicContact CD2-CG 4.29Å; P213-L217 WeakPolarHBondContact O-CB 3.25Å; P213-L217 PolarHBondContact O-N 2.88Å; E214-L217 PolarHBondContact O-N 3.32Å; F215-L217 VanDerWaalsContact C-N 3.33Å; F215-L217 PolarHBondContact O-N 3.37Å; L217-H220 PolarHBondContact O-N 2.9Å; L217-A221 WeakPolarHBondContact O-CB 3.16Å; L217-A221 PolarHBondContact O-N 2.97Å
218F96.5Very high91.8Very high0 Ų029.2 Ų29.20%017%0.169CC..Hα-helixtrans-59.3-47.8173.8176.3-96.1000111.8L202 L205 I206 E214 F215 A221 L222 L240 L244 L261L202-F218 HydrophobicContact CB-CD2 4.38Å; L202-F218 HydrophobicContact CB-CE2 4.27Å; L202-F218 HydrophobicContact CD2-CD2 3.96Å; L202-F218 HydrophobicContact CD2-CE2 4.31Å; L205-F218 HydrophobicContact CB-CB 3.96Å; L205-F218 HydrophobicContact CB-CD2 4.39Å; L205-F218 HydrophobicContact CD1-CB 4.47Å; I206-F218 HydrophobicContact CD1-CE2 3.87Å; I206-F218 HydrophobicContact CD1-CZ 3.92Å; I206-F218 HydrophobicContact CG1-CD2 4.45Å; I206-F218 HydrophobicContact CG1-CE2 4.17Å; I206-F218 HydrophobicContact CG2-CB 3.96Å; I206-F218 HydrophobicContact CG2-CD1 3.61Å; I206-F218 HydrophobicContact CG2-CD2 3.49Å; I206-F218 VanDerWaalsContact CG2-CD2 3.49Å; I206-F218 HydrophobicContact CG2-CE1 3.87Å; I206-F218 HydrophobicContact CG2-CE2 3.76Å; I206-F218 HydrophobicContact CG2-CG 3.39Å; I206-F218 HydrophobicContact CG2-CZ 3.94Å; E214-F218 WeakPolarHBondContact O-CB 3.1Å; E214-F218 PolarHBondContact O-N 2.98Å; F215-F218 WeakPolarHBondContact O-CB 3.25Å; F215-F218 PolarHBondContact O-N 3.29Å; F218-A221 WeakPolarHBondContact O-CB 3.47Å; F218-A221 PolarHBondContact O-N 3.31Å; F218-L222 HydrophobicContact CD1-CD1 4.07Å; F218-L222 HydrophobicContact CE1-CD1 3.27Å; F218-L222 HydrophobicContact CE1-CG 4.07Å; F218-L222 HydrophobicContact CE2-CD1 4.24Å; F218-L222 HydrophobicContact CE2-CG 4.44Å; F218-L222 HydrophobicContact CZ-CD1 3.38Å; F218-L222 HydrophobicContact CZ-CG 4.03Å; F218-L222 PolarHBondContact O-N 2.81Å; F218-L240 HydrophobicContact CE2-CD1 4.03Å; F218-L240 HydrophobicContact CE2-CD2 3.92Å; F218-L240 HydrophobicContact CE2-CG 4.04Å; F218-L240 HydrophobicContact CZ-CD2 4.23Å; F218-L240 HydrophobicContact CZ-CG 4.23Å; F218-L244 HydrophobicContact CE1-CD1 3.72Å; F218-L244 HydrophobicContact CE1-CD2 3.95Å; F218-L244 HydrophobicContact CE1-CG 4.37Å; F218-L244 HydrophobicContact CZ-CD1 4.24Å; F218-L244 HydrophobicContact CZ-CD2 4.21Å; F218-L261 HydrophobicContact CD1-CD2 4.21Å
219H93.9Very high91.6Very high23 Ų2326.4 Ų26.411%0.10614%0.14CC..Hα-helixtrans-62.8-41.8176.9170.6-84.4000112.2F215 V216 A221 L222 S223 I260 E263 S264F215-H219 WeakPolarHBondContact O-CB 3.27Å; F215-H219 PolarHBondContact O-N 3.23Å; V216-H219 PolarHBondContact O-N 3.03Å; H219-A221 VanDerWaalsContact C-N 3.32Å; H219-A221 PolarHBondContact O-N 3.4Å; H219-L222 PolarHBondContact O-N 3.41Å; H219-S223 PolarHBondContact CE1-OG 3.48Å; H219-S223 VanDerWaalsContact CE1-OG 3.22Å; H219-S223 PolarHBondContact NE2-OG 2.87Å; H219-S223 VanDerWaalsContact O-CB 3.24Å; H219-S223 WeakPolarHBondContact O-CB 3.49Å; H219-S223 PolarHBondContact O-N 3.01Å; H219-S223 PolarHBondContact O-OG 3.27Å; H219-I260 HydrophobicContact CB-CG2 3.47Å; H219-I260 VanDerWaalsContact CB-CG2 3.47Å; H219-E263 IonicContact CD2-OE2 3.19Å; H219-E263 IonicContact CE1-OE1 3.85Å; H219-E263 IonicContact CE1-OE2 2.66Å; H219-E263 IonicContact NE2-OE1 3.16Å; H219-E263 PolarHBondContact NE2-OE1 3.43Å; H219-E263 IonicContact NE2-OE2 3.39Å; H219-E263 PolarHBondContact NE2-OE2 3.26Å; H219-S264 PolarHBondContact CD2-OG 3.5Å
220H92Very high91.4Very high52 Ų5225.6 Ų25.624%0.24113%0.131CC..Hα-helixtrans-56.9-46.8172.6169.176.6000111.3D122 V216 L217 S223 T224D122-H220 IonicContact OD1-CD2 3.06Å; D122-H220 IonicContact OD1-CE1 3.96Å; D122-H220 IonicContact OD1-NE2 3.23Å; D122-H220 PolarHBondContact OD1-NE2 3.44Å; D122-H220 IonicContact OD2-NE2 3.89Å; V216-H220 WeakPolarHBondContact O-CB 3.39Å; V216-H220 PolarHBondContact O-N 3.47Å; L217-H220 PolarHBondContact O-N 2.9Å; H220-S223 PolarHBondContact O-N 2.93Å; H220-T224 WeakPolarHBondContact O-CB 3.47Å; H220-T224 VanDerWaalsContact O-CG2 3.28Å; H220-T224 WeakPolarHBondContact O-CG2 3.41Å; H220-T224 PolarHBondContact O-N 3.39Å; H220-T224 PolarHBondContact O-OG1 3.38Å
221A94.4Very high91Very high0 Ų026.2 Ų26.20%014%0.139CC..Hα-helixtrans-62.7-45.9179.400000111.9I121 L202 L217 F218 H219 T224 L225I121-A221 HydrophobicContact CD1-CB 3.93Å; I121-A221 HydrophobicContact CG2-CB 3.9Å; L202-A221 HydrophobicContact CD2-CB 3.59Å; L217-A221 WeakPolarHBondContact O-CB 3.16Å; L217-A221 PolarHBondContact O-N 2.97Å; F218-A221 WeakPolarHBondContact O-CB 3.47Å; F218-A221 PolarHBondContact O-N 3.31Å; H219-A221 VanDerWaalsContact C-N 3.32Å; H219-A221 PolarHBondContact O-N 3.4Å; A221-T224 PolarHBondContact O-N 3.18Å; A221-T224 PolarHBondContact O-OG1 3.34Å; A221-L225 WeakPolarHBondContact O-CA 3.4Å; A221-L225 WeakPolarHBondContact O-CB 3.4Å; A221-L225 PolarHBondContact O-N 3.48Å
222L94Very high90.7Very high0 Ų027 Ų270%014%0.14CC..Hα-helixtrans-67.1-41176.9-75-172.9000112.6F218 H219 T224 G226 M237 L240 M268 W272F218-L222 HydrophobicContact CD1-CD1 4.07Å; F218-L222 HydrophobicContact CE1-CD1 3.27Å; F218-L222 HydrophobicContact CE1-CG 4.07Å; F218-L222 HydrophobicContact CE2-CD1 4.24Å; F218-L222 HydrophobicContact CE2-CG 4.44Å; F218-L222 HydrophobicContact CZ-CD1 3.38Å; F218-L222 HydrophobicContact CZ-CG 4.03Å; F218-L222 PolarHBondContact O-N 2.81Å; H219-L222 PolarHBondContact O-N 3.41Å; L222-T224 PolarHBondContact O-N 3.47Å; L222-G226 VanDerWaalsContact O-CA 3.27Å; L222-G226 WeakPolarHBondContact O-CA 3.34Å; L222-G226 PolarHBondContact O-N 2.87Å; L222-M237 HydrophobicContact CD2-CE 3.77Å; L222-L240 HydrophobicContact CD2-CD2 4.39Å; L222-M268 HydrophobicContact CD1-CG 4.48Å; L222-M268 HydrophobicContact CD1-SD 4.24Å; L222-W272 HydrophobicContact CD2-CZ2 4.4Å; L222-W272 PolarHBondContact O-NE1 2.78Å
223S88.8Confident90.7Very high48 Ų4824.7 Ų24.734%0.33613%0.134SC..Hα-helixtrans-63.5-28.7178.6-60.90000112.4H219 H220 L267H219-S223 PolarHBondContact CE1-OG 3.48Å; H219-S223 VanDerWaalsContact CE1-OG 3.22Å; H219-S223 PolarHBondContact NE2-OG 2.87Å; H219-S223 VanDerWaalsContact O-CB 3.24Å; H219-S223 WeakPolarHBondContact O-CB 3.49Å; H219-S223 PolarHBondContact O-N 3.01Å; H219-S223 PolarHBondContact O-OG 3.27Å; H220-S223 PolarHBondContact O-N 2.93Å; S223-L267 WeakPolarHBondContact OG-CD1 3.34Å
224T85.7Confident90.7Very high25 Ų2524.8 Ų24.815%0.15314%0.135CC..Hα-helixtrans-103.6-29.4-173.858.20000114.3R125 H220 A221 L222R125-T224 VanDerWaalsContact NH1-CG2 3.31Å; H220-T224 WeakPolarHBondContact O-CB 3.47Å; H220-T224 VanDerWaalsContact O-CG2 3.28Å; H220-T224 WeakPolarHBondContact O-CG2 3.41Å; H220-T224 PolarHBondContact O-N 3.39Å; H220-T224 PolarHBondContact O-OG1 3.38Å; A221-T224 PolarHBondContact O-N 3.18Å; A221-T224 PolarHBondContact O-OG1 3.34Å; L222-T224 PolarHBondContact O-N 3.47Å
225L89.8Confident90.7Very high0 Ų031.3 Ų31.30%017%0.165CC..Hα-helixtrans-128.9-5.1-174.3-68175.5000114.1I121 F124 R125 A221 Y227 I228 F229I121-L225 HydrophobicContact CG2-CD1 3.87Å; F124-L225 HydrophobicContact CD1-CD1 3.88Å; F124-L225 HydrophobicContact CD1-CD2 4.15Å; F124-L225 HydrophobicContact CE1-CD2 4.32Å; R125-L225 HydrophobicContact CB-CD1 4.1Å; R125-L225 HydrophobicContact CB-CD2 3.69Å; R125-L225 HydrophobicContact CB-CG 4.1Å; R125-L225 HydrophobicContact CG-CD2 3.84Å; R125-L225 HydrophobicContact CG-CG 4.38Å; A221-L225 WeakPolarHBondContact O-CA 3.4Å; A221-L225 WeakPolarHBondContact O-CB 3.4Å; A221-L225 PolarHBondContact O-N 3.48Å; L225-Y227 VanDerWaalsContact C-N 3.27Å; L225-Y227 PolarHBondContact O-N 3.29Å; L225-I228 HydrophobicContact CD2-CD1 3.56Å; L225-I228 WeakPolarHBondContact O-CA 3.36Å; L225-I228 WeakPolarHBondContact O-CB 3.34Å; L225-I228 PolarHBondContact O-N 3.49Å; L225-F229 HydrophobicContact CB-CD2 3.95Å; L225-F229 HydrophobicContact CB-CE2 3.45Å; L225-F229 VanDerWaalsContact CB-CE2 3.45Å; L225-F229 HydrophobicContact CB-CZ 3.83Å; L225-F229 HydrophobicContact CD1-CE2 3.92Å; L225-F229 HydrophobicContact CD1-CZ 3.65Å; L225-F229 HydrophobicContact CG-CE2 4.36Å; L225-F229 HydrophobicContact CG-CZ 4.36Å; L225-F229 PolarHBondContact O-N 3.45Å
226G90.1Very high90.7Very high0 Ų034.7 Ų34.70%018%0.178CC..Hα-helixtrans-57.7-38.4-171.900000113.6L222 I228 F229 Q230 W272L222-G226 VanDerWaalsContact O-CA 3.27Å; L222-G226 WeakPolarHBondContact O-CA 3.34Å; L222-G226 PolarHBondContact O-N 2.87Å; G226-I228 VanDerWaalsContact C-N 3.33Å; G226-I228 PolarHBondContact O-N 2.89Å; G226-F229 PolarHBondContact O-N 3.49Å; G226-Q230 WeakPolarHBondContact O-CB 3.5Å; G226-Q230 PolarHBondContact O-N 3.08Å; G226-W272 VanDerWaalsContact CA-CZ2 3.41Å
227Y87Confident90.7Very high111 Ų11133.3 Ų33.344%0.43517%0.17SC..Hα-helixtrans-64.6-34.9175.274.8-84.8000113H129 L225 G231H129-Y227 PolarHBondContact CE1-OH 3.34Å; H129-Y227 PolarHBondContact NE2-OH 3.19Å; L225-Y227 VanDerWaalsContact C-N 3.27Å; L225-Y227 PolarHBondContact O-N 3.29Å; Y227-G231 PolarHBondContact O-N 2.93Å
228I88.1Confident90.8Very high9 Ų938.2 Ų38.25%0.04619%0.192CC..Hα-helixtrans-67.1-50175.7-65.4170.4000109.3F124 Y128 H129 L225 G226 Q230 G231 L232F124-I228 HydrophobicContact CE1-CG2 4.23Å; F124-I228 HydrophobicContact CZ-CG2 4.49Å; Y128-I228 HydrophobicContact CD1-CD1 3.59Å; Y128-I228 HydrophobicContact CD1-CG1 4.17Å; Y128-I228 HydrophobicContact CD1-CG2 3.78Å; Y128-I228 HydrophobicContact CD2-CG2 4.49Å; Y128-I228 HydrophobicContact CE1-CB 4.32Å; Y128-I228 HydrophobicContact CE1-CD1 4Å; Y128-I228 HydrophobicContact CE1-CG1 4.05Å; Y128-I228 HydrophobicContact CE1-CG2 3.34Å; Y128-I228 HydrophobicContact CE2-CG2 4.11Å; Y128-I228 HydrophobicContact CG-CD1 4.44Å; Y128-I228 HydrophobicContact CG-CG2 4.33Å; H129-I228 WeakPolarHBondContact NE2-CD1 3.43Å; L225-I228 HydrophobicContact CD2-CD1 3.56Å; L225-I228 WeakPolarHBondContact O-CA 3.36Å; L225-I228 WeakPolarHBondContact O-CB 3.34Å; L225-I228 PolarHBondContact O-N 3.49Å; G226-I228 VanDerWaalsContact C-N 3.33Å; G226-I228 PolarHBondContact O-N 2.89Å; I228-Q230 VanDerWaalsContact C-N 3.3Å; I228-Q230 PolarHBondContact O-N 3.23Å; I228-G231 PolarHBondContact O-N 3.47Å; I228-G231 VanDerWaalsContact O-N 3.08Å; I228-L232 HydrophobicContact CG2-CD1 3.59Å; I228-L232 HydrophobicContact CG2-CG 4.17Å; I228-L232 WeakPolarHBondContact O-CG 3.34Å; I228-L232 PolarHBondContact O-N 3.39Å
229F89.4Confident90.7Very high0 Ų044.1 Ų44.10%022%0.22CC..Hα-helixtrans-63.9-34.8179.6-63.2-38.1000112.9F124 I198 F199 L202 L225 G226 G231 L232 N233 M237F124-F229 HydrophobicContact CD1-CE1 4.24Å; F124-F229 HydrophobicContact CD1-CZ 4.3Å; F124-F229 AromaticContact CE1-CE1 3.71Å; F124-F229 HydrophobicContact CE1-CE1 3.71Å; F124-F229 HydrophobicContact CE1-CZ 4.17Å; F124-F229 HydrophobicContact CZ-CE1 4.15Å; I198-F229 HydrophobicContact CB-CZ 4.37Å; I198-F229 HydrophobicContact CD1-CZ 4.41Å; I198-F229 HydrophobicContact CG2-CE1 4.17Å; I198-F229 HydrophobicContact CG2-CE2 3.9Å; I198-F229 HydrophobicContact CG2-CZ 3.45Å; I198-F229 VanDerWaalsContact CG2-CZ 3.45Å; F199-F229 HydrophobicContact CE1-CB 4.4Å; F199-F229 HydrophobicContact CE2-CB 4.45Å; F199-F229 HydrophobicContact CE2-CD1 4.3Å; F199-F229 HydrophobicContact CZ-CB 3.81Å; F199-F229 HydrophobicContact CZ-CD1 4.46Å; F199-F229 HydrophobicContact CZ-CG 4.28Å; L202-F229 HydrophobicContact CD1-CD2 3.98Å; L202-F229 HydrophobicContact CD1-CE2 3.97Å; L225-F229 HydrophobicContact CB-CD2 3.95Å; L225-F229 HydrophobicContact CB-CE2 3.45Å; L225-F229 VanDerWaalsContact CB-CE2 3.45Å; L225-F229 HydrophobicContact CB-CZ 3.83Å; L225-F229 HydrophobicContact CD1-CE2 3.92Å; L225-F229 HydrophobicContact CD1-CZ 3.65Å; L225-F229 HydrophobicContact CG-CE2 4.36Å; L225-F229 HydrophobicContact CG-CZ 4.36Å; L225-F229 PolarHBondContact O-N 3.45Å; G226-F229 PolarHBondContact O-N 3.49Å; F229-G231 VanDerWaalsContact C-N 3.31Å; F229-G231 PolarHBondContact O-N 2.93Å; F229-L232 HydrophobicContact CD1-CD1 4.32Å; F229-L232 PolarHBondContact O-N 2.83Å; F229-N233 CarbonylContact O-C 3.5Å; F229-N233 PolarHBondContact O-N 2.98Å; F229-M237 HydrophobicContact CB-CE 4.47Å; F229-M237 HydrophobicContact CB-CG 4.07Å; F229-M237 HydrophobicContact CB-SD 3.55Å; F229-M237 VanDerWaalsContact CB-SD 3.55Å; F229-M237 WeakPolarHBondContact O-CG 3.34Å
230Q89.1Confident90.8Very high63 Ų6343.1 Ų43.129%0.29422%0.215SC..Hα-helixtrans-62.6-36.8172.7-177.360.254.100112.5G226 I228 M237 W272G226-Q230 WeakPolarHBondContact O-CB 3.5Å; G226-Q230 PolarHBondContact O-N 3.08Å; I228-Q230 VanDerWaalsContact C-N 3.3Å; I228-Q230 PolarHBondContact O-N 3.23Å; Q230-M237 HydrophobicContact CB-CG 4.46Å; Q230-W272 HydrophobicContact CB-CH2 4.3Å; Q230-W272 HydrophobicContact CB-CZ3 3.78Å; Q230-W272 HydrophobicContact CG-CZ3 4.05Å
231G85.1Confident91Very high29 Ų2941.1 Ų41.130%0.29921%0.207SC..Hα-helixtrans-73.3-41.5174.300000113.2Y227 I228 F229Y227-G231 PolarHBondContact O-N 2.93Å; I228-G231 PolarHBondContact O-N 3.47Å; I228-G231 VanDerWaalsContact O-N 3.08Å; F229-G231 VanDerWaalsContact C-N 3.31Å; F229-G231 PolarHBondContact O-N 2.93Å
232L86.1Confident91.1Very high45 Ų4545.5 Ų45.524%0.23623%0.23CC..Hα-helixtrans-71.5-45.8-177.4-73.7171.4000113.1F124 Y128 L170 I195 I228 F229F124-L232 HydrophobicContact CZ-CD1 4.16Å; Y128-L232 HydrophobicContact CE2-CD1 4.02Å; Y128-L232 HydrophobicContact CE2-CD2 4.42Å; Y128-L232 WeakPolarHBondContact OH-CD2 3.39Å; L170-L232 HydrophobicContact CD1-CD2 4.26Å; L170-L232 HydrophobicContact CD2-CD2 4.44Å; I195-L232 HydrophobicContact CD1-CD1 3.84Å; I195-L232 HydrophobicContact CD1-CD2 4.22Å; I195-L232 HydrophobicContact CG1-CD1 4.13Å; I228-L232 HydrophobicContact CG2-CD1 3.59Å; I228-L232 HydrophobicContact CG2-CG 4.17Å; I228-L232 WeakPolarHBondContact O-CG 3.34Å; I228-L232 PolarHBondContact O-N 3.39Å; F229-L232 HydrophobicContact CD1-CD1 4.32Å; F229-L232 PolarHBondContact O-N 2.83Å
233N88.8Confident91.2Very high35 Ų3548.3 Ų48.319%0.18724%0.243CC..  trans-147.380.8-175.9-162.4-37.2000111.9F199 F229 Q235 R236 M237F199-N233 HydrophobicContact CE2-CB 3.9Å; F199-N233 HydrophobicContact CZ-CB 3.92Å; F229-N233 CarbonylContact O-C 3.5Å; F229-N233 PolarHBondContact O-N 2.98Å; N233-Q235 VanDerWaalsContact C-N 3.26Å; N233-Q235 PolarHBondContact O-N 3.15Å; N233-Q235 PolarHBondContact OD1-N 3.3Å; N233-R236 HydrophobicContact CB-CB 4.22Å; N233-R236 WeakPolarHBondContact ND2-CD 3.44Å; N233-R236 PolarHBondContact O-N 3.05Å; N233-R236 WeakPolarHBondContact OD1-CB 3.14Å; N233-R236 WeakPolarHBondContact OD1-CG 3.45Å; N233-R236 PolarHBondContact OD1-N 3.26Å; N233-M237 PolarHBondContact O-N 2.95Å
234P90.2Very high91.6Very high44 Ų4446 Ų4629%0.28623%0.227SC..Hα-helixtrans-62.9-30.3-178.324.6-34.4000113H238P234-H238 WeakPolarHBondContact O-CB 3.41Å; P234-H238 PolarHBondContact O-N 3.2Å
235Q94.1Very high92.1Very high136 Ų13650 Ų5064%0.63624%0.239SC*.Hα-helixtrans-67.5-45.2177.2-6594.8-0.500111.8N233 H238 Q239N233-Q235 VanDerWaalsContact C-N 3.26Å; N233-Q235 PolarHBondContact O-N 3.15Å; N233-Q235 PolarHBondContact OD1-N 3.3Å; Q235-H238 WeakPolarHBondContact O-CB 3.32Å; Q235-H238 PolarHBondContact O-N 3.37Å; Q235-Q239 WeakPolarHBondContact O-CG 3.27Å; Q235-Q239 PolarHBondContact O-N 3.47Å
236R94Very high92.4Very high73 Ų7355 Ų5528%0.27526%0.263SS..Hα-helixtrans-67.1-37.3176.5-75.1-171-176.2169.55.4112.2D196 F199 N233 H238 Q239 L240D196-R236 VanDerWaalsContact CG-NH2 3.3Å; D196-R236 IonicContact OD1-CZ 3.58Å; D196-R236 IonicContact OD1-NH1 3.05Å; D196-R236 PolarHBondContact OD1-NH1 3.12Å; D196-R236 IonicContact OD1-NH2 3.13Å; D196-R236 PolarHBondContact OD1-NH2 3.45Å; D196-R236 IonicContact OD2-CZ 2.73Å; D196-R236 IonicContact OD2-NH1 2.79Å; D196-R236 IonicContact OD2-NH2 3.38Å; D196-R236 PolarHBondContact OD2-NH2 2.91Å; F199-R236 HydrophobicContact CD1-CB 3.82Å; F199-R236 HydrophobicContact CE1-CB 3.6Å; F199-R236 HydrophobicContact CE2-CB 4.48Å; F199-R236 HydrophobicContact CG-CB 4.34Å; F199-R236 HydrophobicContact CZ-CB 3.96Å; N233-R236 HydrophobicContact CB-CB 4.22Å; N233-R236 WeakPolarHBondContact ND2-CD 3.44Å; N233-R236 PolarHBondContact O-N 3.05Å; N233-R236 WeakPolarHBondContact OD1-CB 3.14Å; N233-R236 WeakPolarHBondContact OD1-CG 3.45Å; N233-R236 PolarHBondContact OD1-N 3.26Å; R236-H238 VanDerWaalsContact C-N 3.3Å; R236-H238 PolarHBondContact O-N 3.15Å; R236-Q239 WeakPolarHBondContact O-CB 3.4Å; R236-Q239 PolarHBondContact O-N 3.17Å; R236-L240 WeakPolarHBondContact O-CB 3.26Å; R236-L240 PolarHBondContact O-N 3.45Å
237M94.1Very high92.7Very high0 Ų055 Ų550%026%0.263CS..Hα-helixtrans-62.5-38.2172.4-73.2-59.9-65.700112F199 L222 F229 Q230 N233 L240 S241 M268 W272F199-M237 HydrophobicContact CE1-CG 3.98Å; F199-M237 HydrophobicContact CE1-SD 3.61Å; F199-M237 HydrophobicContact CZ-CG 4.06Å; F199-M237 HydrophobicContact CZ-SD 4.05Å; L222-M237 HydrophobicContact CD2-CE 3.77Å; F229-M237 HydrophobicContact CB-CE 4.47Å; F229-M237 HydrophobicContact CB-CG 4.07Å; F229-M237 HydrophobicContact CB-SD 3.55Å; F229-M237 VanDerWaalsContact CB-SD 3.55Å; F229-M237 WeakPolarHBondContact O-CG 3.34Å; Q230-M237 HydrophobicContact CB-CG 4.46Å; N233-M237 PolarHBondContact O-N 2.95Å; M237-L240 PolarHBondContact O-N 3.48Å; M237-L240 HydrophobicContact SD-CD2 4.12Å; M237-S241 WeakPolarHBondContact O-CB 3.31Å; M237-S241 PolarHBondContact O-N 3.49Å; M237-M268 HydrophobicContact CE-CE 3.78Å; M237-M268 WeakPolarHBondContact O-CE 3.45Å; M237-W272 HydrophobicContact CE-CH2 3.77Å; M237-W272 HydrophobicContact CE-CZ2 4.2Å
238H94.6Very high93Very high109 Ų10950.8 Ų50.851%0.50525%0.248SC..Hα-helixtrans-61.3-46.9172.7179.164.8000111.7P234 Q235 R236 L240 S241 L242P234-H238 WeakPolarHBondContact O-CB 3.41Å; P234-H238 PolarHBondContact O-N 3.2Å; Q235-H238 WeakPolarHBondContact O-CB 3.32Å; Q235-H238 PolarHBondContact O-N 3.37Å; R236-H238 VanDerWaalsContact C-N 3.3Å; R236-H238 PolarHBondContact O-N 3.15Å; H238-L240 PolarHBondContact O-N 3.4Å; H238-S241 WeakPolarHBondContact O-CB 3.48Å; H238-S241 PolarHBondContact O-N 3.31Å; H238-S241 VanDerWaalsContact O-N 3.14Å; H238-S241 PolarHBondContact O-OG 3.41Å; H238-L242 PolarHBondContact O-N 3.16Å; H238-L242 VanDerWaalsContact O-N 3.1Å
239Q96Very high93.3Very high124 Ų12455.7 Ų55.758%0.57928%0.278SS*.Hα-helixtrans-58.9-45.2175.3-69.7172.5-20.200112Q235 R236 S241 L242 Q243Q235-Q239 WeakPolarHBondContact O-CG 3.27Å; Q235-Q239 PolarHBondContact O-N 3.47Å; R236-Q239 WeakPolarHBondContact O-CB 3.4Å; R236-Q239 PolarHBondContact O-N 3.17Å; Q239-S241 VanDerWaalsContact C-N 3.26Å; Q239-S241 PolarHBondContact O-N 2.92Å; Q239-L242 PolarHBondContact O-N 2.88Å; Q239-L242 VanDerWaalsContact O-N 3.11Å; Q239-Q243 PolarHBondContact O-N 3.23Å
240L96.5Very high93.5Very high3 Ų359.7 Ų59.72%0.01630%0.299CS..Hα-helixtrans-60.6-37.7176.3-167.668.6000111.4L202 I206 F218 L222 R236 M237 H238 L242 Q243 L244L202-L240 HydrophobicContact CB-CD1 3.99Å; L202-L240 HydrophobicContact CB-CD2 3.97Å; L202-L240 HydrophobicContact CD1-CD2 3.93Å; I206-L240 HydrophobicContact CD1-CD1 3.92Å; I206-L240 HydrophobicContact CD1-CG 4.48Å; F218-L240 HydrophobicContact CE2-CD1 4.03Å; F218-L240 HydrophobicContact CE2-CD2 3.92Å; F218-L240 HydrophobicContact CE2-CG 4.04Å; F218-L240 HydrophobicContact CZ-CD2 4.23Å; F218-L240 HydrophobicContact CZ-CG 4.23Å; L222-L240 HydrophobicContact CD2-CD2 4.39Å; R236-L240 WeakPolarHBondContact O-CB 3.26Å; R236-L240 PolarHBondContact O-N 3.45Å; M237-L240 PolarHBondContact O-N 3.48Å; M237-L240 HydrophobicContact SD-CD2 4.12Å; H238-L240 PolarHBondContact O-N 3.4Å; L240-L242 VanDerWaalsContact C-N 3.33Å; L240-L242 PolarHBondContact O-N 2.99Å; L240-Q243 PolarHBondContact O-N 3.26Å; L240-L244 VanDerWaalsContact O-CB 3.31Å; L240-L244 WeakPolarHBondContact O-CB 3.37Å; L240-L244 PolarHBondContact O-N 3.41Å
241S95.9Very high93.4Very high9 Ų958.8 Ų58.86%0.06330%0.296CS..Hα-helixtrans-65.2-34.8175.988.90000113M237 H238 Q239 R245M237-S241 WeakPolarHBondContact O-CB 3.31Å; M237-S241 PolarHBondContact O-N 3.49Å; H238-S241 WeakPolarHBondContact O-CB 3.48Å; H238-S241 PolarHBondContact O-N 3.31Å; H238-S241 VanDerWaalsContact O-N 3.14Å; H238-S241 PolarHBondContact O-OG 3.41Å; Q239-S241 VanDerWaalsContact C-N 3.26Å; Q239-S241 PolarHBondContact O-N 2.92Å; S241-R245 VanDerWaalsContact C-NH1 3.3Å; S241-R245 VanDerWaalsContact CB-NH1 3.34Å; S241-R245 WeakPolarHBondContact O-CG 3.43Å; S241-R245 PolarHBondContact O-N 2.97Å; S241-R245 PolarHBondContact O-NH1 2.98Å; S241-R245 PolarHBondContact OG-NH1 3.2Å
242L96.3Very high93.6Very high92 Ų9257.4 Ų57.448%0.48228%0.282SS..Hα-helixtrans-71.2-43.8175.8-65.6176.4000110.1H238 Q239 L240 L244 R245 Q246H238-L242 PolarHBondContact O-N 3.16Å; H238-L242 VanDerWaalsContact O-N 3.1Å; Q239-L242 PolarHBondContact O-N 2.88Å; Q239-L242 VanDerWaalsContact O-N 3.11Å; L240-L242 VanDerWaalsContact C-N 3.33Å; L240-L242 PolarHBondContact O-N 2.99Å; L242-L244 VanDerWaalsContact C-N 3.33Å; L242-L244 PolarHBondContact O-N 2.98Å; L242-R245 PolarHBondContact O-N 2.93Å; L242-Q246 PolarHBondContact O-N 3.24Å
243Q96.6Very high93.7Very high59 Ų5963.2 Ų63.228%0.27631%0.305SS..Hα-helixtrans-61.3-41.1175.3-169.6-176.3-8.200111.8S203 I206 Q239 L240 R245 Q246 S247S203-Q243 PolarHBondContact O-NE2 3.46Å; S203-Q243 PolarHBondContact OG-OE1 3.44Å; I206-Q243 HydrophobicContact CD1-CB 4.03Å; I206-Q243 HydrophobicContact CD1-CG 3.88Å; I206-Q243 HydrophobicContact CG1-CG 4.24Å; Q239-Q243 PolarHBondContact O-N 3.23Å; L240-Q243 PolarHBondContact O-N 3.26Å; Q243-R245 PolarHBondContact O-N 3.34Å; Q243-Q246 PolarHBondContact O-N 2.79Å; Q243-S247 WeakPolarHBondContact O-CB 3.48Å; Q243-S247 PolarHBondContact O-N 3.38Å
244L96.9Very high93.7Very high0 Ų066.5 Ų66.50%032%0.32CS..Hα-helixtrans-60.2-45.2176.2176.857.9000111.6I206 F218 L240 L242 Q246 S247 I248 L261 I265 M268I206-L244 HydrophobicContact CD1-CB 4.03Å; I206-L244 HydrophobicContact CG2-CD1 4.49Å; F218-L244 HydrophobicContact CE1-CD1 3.72Å; F218-L244 HydrophobicContact CE1-CD2 3.95Å; F218-L244 HydrophobicContact CE1-CG 4.37Å; F218-L244 HydrophobicContact CZ-CD1 4.24Å; F218-L244 HydrophobicContact CZ-CD2 4.21Å; L240-L244 VanDerWaalsContact O-CB 3.31Å; L240-L244 WeakPolarHBondContact O-CB 3.37Å; L240-L244 PolarHBondContact O-N 3.41Å; L242-L244 VanDerWaalsContact C-N 3.33Å; L242-L244 PolarHBondContact O-N 2.98Å; L244-Q246 PolarHBondContact O-N 3.1Å; L244-S247 PolarHBondContact O-N 3.38Å; L244-I248 HydrophobicContact CD1-CD1 4.4Å; L244-I248 HydrophobicContact CG-CD1 4.36Å; L244-I248 WeakPolarHBondContact O-CG1 3.38Å; L244-I248 PolarHBondContact O-N 3.21Å; L244-L261 HydrophobicContact CD1-CB 3.83Å; L244-L261 HydrophobicContact CD1-CD1 4.46Å; L244-L261 HydrophobicContact CD1-CD2 3.72Å; L244-L261 HydrophobicContact CD1-CG 4.19Å; L244-I265 HydrophobicContact CD2-CD1 4.4Å; L244-I265 HydrophobicContact CD2-CG1 3.45Å; L244-I265 VanDerWaalsContact CD2-CG1 3.45Å; L244-I265 HydrophobicContact CG-CD1 4.21Å; L244-I265 HydrophobicContact CG-CG1 3.78Å; L244-M268 HydrophobicContact CD2-SD 4.15Å
245R96.3Very high93.7Very high108 Ų10869 Ų6941%0.40834%0.336SS..Hα-helixtrans-60.3-44.6175-73.5177.9-173.890.4-3.8111.7S241 L242 Q243 S247 I248 V249 I265S241-R245 VanDerWaalsContact C-NH1 3.3Å; S241-R245 VanDerWaalsContact CB-NH1 3.34Å; S241-R245 WeakPolarHBondContact O-CG 3.43Å; S241-R245 PolarHBondContact O-N 2.97Å; S241-R245 PolarHBondContact O-NH1 2.98Å; S241-R245 PolarHBondContact OG-NH1 3.2Å; L242-R245 PolarHBondContact O-N 2.93Å; Q243-R245 PolarHBondContact O-N 3.34Å; R245-S247 VanDerWaalsContact C-N 3.32Å; R245-S247 PolarHBondContact O-N 3.33Å; R245-I248 PolarHBondContact O-N 2.99Å; R245-V249 PolarHBondContact O-N 3.41Å; R245-I265 HydrophobicContact CG-CD1 3.68Å
246Q95.6Very high93.3Very high105 Ų10564.1 Ų64.149%0.49131%0.314SS..Hα-helixtrans-61.3-42.6175.8-165.564.740.900111.4L242 Q243 L244 I248 V249 D250L242-Q246 PolarHBondContact O-N 3.24Å; Q243-Q246 PolarHBondContact O-N 2.79Å; L244-Q246 PolarHBondContact O-N 3.1Å; Q246-I248 VanDerWaalsContact C-N 3.32Å; Q246-I248 PolarHBondContact O-N 3.34Å; Q246-V249 PolarHBondContact O-N 3.48Å; Q246-V249 VanDerWaalsContact O-N 3.13Å; Q246-D250 WeakPolarHBondContact CG-OD2 3.36Å; Q246-D250 PolarHBondContact NE2-OD1 3.15Å; Q246-D250 PolarHBondContact NE2-OD2 2.93Å; Q246-D250 PolarHBondContact O-N 2.89Å
247S95.4Very high93.2Very high1 Ų161.3 Ų61.31%0.00731%0.305CS..Hα-helixtrans-63.7-35.4-179.7-159.50000113I206 Q243 L244 R245 V249 N251 A252I206-S247 VanDerWaalsContact O-CB 3.28Å; I206-S247 WeakPolarHBondContact O-CB 3.36Å; I206-S247 PolarHBondContact O-OG 3.07Å; Q243-S247 WeakPolarHBondContact O-CB 3.48Å; Q243-S247 PolarHBondContact O-N 3.38Å; L244-S247 PolarHBondContact O-N 3.38Å; R245-S247 VanDerWaalsContact C-N 3.32Å; R245-S247 PolarHBondContact O-N 3.33Å; S247-V249 VanDerWaalsContact C-N 3.34Å; S247-V249 PolarHBondContact O-N 2.87Å; S247-N251 WeakPolarHBondContact O-CA 3.32Å; S247-N251 VanDerWaalsContact O-CB 3.32Å; S247-N251 WeakPolarHBondContact O-CB 3.36Å; S247-N251 PolarHBondContact O-N 2.84Å; S247-N251 PolarHBondContact OG-ND2 2.94Å; S247-N251 VanDerWaalsContact OG-ND2 3.11Å; S247-A252 PolarHBondContact O-N 3.44Å
248I94.9Very high93.1Very high23 Ų2366.9 Ų66.912%0.11833%0.325CS..Hα-helixtrans-63.8-40.1173.9-70.8161.3000111.6L244 R245 Q246 L261 L262 I265L244-I248 HydrophobicContact CD1-CD1 4.4Å; L244-I248 HydrophobicContact CG-CD1 4.36Å; L244-I248 WeakPolarHBondContact O-CG1 3.38Å; L244-I248 PolarHBondContact O-N 3.21Å; R245-I248 PolarHBondContact O-N 2.99Å; Q246-I248 VanDerWaalsContact C-N 3.32Å; Q246-I248 PolarHBondContact O-N 3.34Å; I248-L261 HydrophobicContact CD1-CB 3.89Å; I248-L261 HydrophobicContact CG1-CB 3.48Å; I248-L261 VanDerWaalsContact CG1-CB 3.48Å; I248-L261 HydrophobicContact CG1-CD1 3.99Å; I248-L261 HydrophobicContact CG1-CG 4.42Å; I248-L262 HydrophobicContact CD1-CD2 4.13Å; I248-L262 HydrophobicContact CD1-CG 4.4Å; I248-I265 HydrophobicContact CD1-CD1 3.27Å; I248-I265 HydrophobicContact CD1-CG1 4.04Å
249V93.8Very high92.9Very high111 Ų11162 Ų6267%0.67330%0.304SS*.Hα-helixtrans-73.2-47.4-179.3177.60000111R245 Q246 S247R245-V249 PolarHBondContact O-N 3.41Å; Q246-V249 PolarHBondContact O-N 3.48Å; Q246-V249 VanDerWaalsContact O-N 3.13Å; S247-V249 VanDerWaalsContact C-N 3.34Å; S247-V249 PolarHBondContact O-N 2.87Å
250D92.4Very high92.6Very high84 Ų8456.2 Ų56.245%0.44928%0.277SS..Hα-helixtrans-91.8-37.4-168.3-65.3-9.8000113.6Q246Q246-D250 WeakPolarHBondContact CG-OD2 3.36Å; Q246-D250 PolarHBondContact NE2-OD1 3.15Å; Q246-D250 PolarHBondContact NE2-OD2 2.93Å; Q246-D250 PolarHBondContact O-N 2.89Å
251N88.7Confident92.5Very high44 Ų4456 Ų5624%0.23528%0.276CS..THydrogen-bonded Turntrans-111.3-35.7-163.1-54.3-35.5000113.3D207 G208 F215 S247 K253D207-N251 PolarHBondContact O-ND2 3.05Å; G208-N251 WeakPolarHBondContact CA-ND2 3.45Å; G208-N251 WeakPolarHBondContact CA-OD1 3.38Å; F215-N251 HydrophobicContact CZ-CB 4.5Å; S247-N251 WeakPolarHBondContact O-CA 3.32Å; S247-N251 VanDerWaalsContact O-CB 3.32Å; S247-N251 WeakPolarHBondContact O-CB 3.36Å; S247-N251 PolarHBondContact O-N 2.84Å; S247-N251 PolarHBondContact OG-ND2 2.94Å; S247-N251 VanDerWaalsContact OG-ND2 3.11Å; N251-K253 VanDerWaalsContact C-N 3.3Å; N251-K253 PolarHBondContact O-N 3.27Å
252A88.6Confident92.4Very high1 Ų159.2 Ų59.21%0.00829%0.292CS..  trans-75.978.2-177.100000111.4S247 D257 R258 L261S247-A252 PolarHBondContact O-N 3.44Å; A252-D257 HydrophobicContact CB-CB 4.13Å; A252-R258 HydrophobicContact CB-CB 4.43Å; A252-R258 HydrophobicContact CB-CG 3.59Å; A252-R258 WeakPolarHBondContact O-CG 3.46Å; A252-R258 PolarHBondContact O-NE 3.5Å; A252-R258 PolarHBondContact O-NH2 2.86Å; A252-L261 HydrophobicContact CB-CD1 4Å
253K87.3Confident92.1Very high166 Ų16656.1 Ų56.172%0.72228%0.275SS*.  trans-76.2-32.3-177.3-65-179.3-175.8179.10112.8N251N251-K253 VanDerWaalsContact C-N 3.3Å; N251-K253 PolarHBondContact O-N 3.27Å
254Q89.9Confident92Very high105 Ų10553.3 Ų53.349%0.49126%0.262SS..SBendtrans-88.4142.3-179.2-59.8-68.3-26.600110.6L256 D257 R258Q254-L256 PolarHBondContact O-N 2.99Å; Q254-L256 VanDerWaalsContact O-N 3.15Å; Q254-D257 HydrophobicContact CB-CB 4.42Å; Q254-D257 WeakPolarHBondContact CB-OD2 3.45Å; Q254-D257 PolarHBondContact O-N 2.88Å; Q254-R258 PolarHBondContact O-N 3.15Å; Q254-R258 VanDerWaalsContact O-N 3.11Å
255P89.2Confident91.8Very high96 Ų9654.2 Ų54.262%0.62327%0.267SS*.Hα-helixtrans-53.8-37.2176.7-26.734.5000112.9R258 A259P255-R258 PolarHBondContact O-N 3.04Å; P255-A259 PolarHBondContact O-N 3.33Å
256L87.5Confident91.6Very high33 Ų3352 Ų5217%0.17326%0.261CS..Hα-helixtrans-66.6-38.7178.9-164.569.6000112.1Q254 A259 I260 F288 Y292Q254-L256 PolarHBondContact O-N 2.99Å; Q254-L256 VanDerWaalsContact O-N 3.15Å; L256-A259 PolarHBondContact O-N 3.33Å; L256-I260 PolarHBondContact O-N 2.88Å; L256-F288 HydrophobicContact CD1-CD1 3.96Å; L256-F288 HydrophobicContact CD1-CE1 4.38Å; L256-Y292 HydrophobicContact CD1-CE1 3.61Å; L256-Y292 HydrophobicContact CD1-CE2 4.05Å; L256-Y292 WeakPolarHBondContact CD1-OH 3.41Å; L256-Y292 HydrophobicContact CD2-CD1 4.36Å; L256-Y292 HydrophobicContact CD2-CE1 3.61Å; L256-Y292 HydrophobicContact CG-CD1 4.49Å; L256-Y292 HydrophobicContact CG-CE1 3.37Å; L256-Y292 VanDerWaalsContact CG-CZ 3.45Å; L256-Y292 WeakPolarHBondContact CG-OH 3.46Å; L256-Y292 PolarHBondContact O-OH 3.01Å
257D91.3Very high91.3Very high15 Ų1548 Ų488%0.0824%0.243CC..Hα-helixtrans-69-40177.8-56.3-19.8000110.1R212 F215 A252 Q254 A259 I260 L261R212-D257 IonicContact CZ-OD1 3.45Å; R212-D257 IonicContact NE-OD1 3.75Å; R212-D257 PolarHBondContact NE-OD1 2.98Å; R212-D257 IonicContact NH2-OD1 3.17Å; R212-D257 PolarHBondContact NH2-OD1 3.17Å; R212-D257 VanDerWaalsContact NH2-OD1 3.13Å; R212-D257 IonicContact NH2-OD2 2.8Å; F215-D257 HydrophobicContact CD2-CB 3.78Å; F215-D257 HydrophobicContact CE2-CB 3.84Å; A252-D257 HydrophobicContact CB-CB 4.13Å; Q254-D257 HydrophobicContact CB-CB 4.42Å; Q254-D257 WeakPolarHBondContact CB-OD2 3.45Å; Q254-D257 PolarHBondContact O-N 2.88Å; D257-A259 VanDerWaalsContact C-N 3.34Å; D257-A259 PolarHBondContact O-N 3.28Å; D257-I260 PolarHBondContact O-N 3.25Å; D257-L261 WeakPolarHBondContact O-CG 3.41Å; D257-L261 PolarHBondContact O-N 3.48Å
258R91.6Very high91Very high116 Ų11649.2 Ų49.244%0.43825%0.249SC..Hα-helixtrans-60.7-43.2174.5-67.1179.9-176.7162.42.5111.6A252 Q254 P255 L261 L262A252-R258 HydrophobicContact CB-CB 4.43Å; A252-R258 HydrophobicContact CB-CG 3.59Å; A252-R258 WeakPolarHBondContact O-CG 3.46Å; A252-R258 PolarHBondContact O-NE 3.5Å; A252-R258 PolarHBondContact O-NH2 2.86Å; Q254-R258 PolarHBondContact O-N 3.15Å; Q254-R258 VanDerWaalsContact O-N 3.11Å; P255-R258 PolarHBondContact O-N 3.04Å; R258-L261 PolarHBondContact O-N 2.94Å; R258-L262 VanDerWaalsContact O-CB 3.28Å; R258-L262 WeakPolarHBondContact O-CB 3.21Å; R258-L262 WeakPolarHBondContact O-CG 3.33Å; R258-L262 PolarHBondContact O-N 3.17Å
259A90.3Very high90.8Very high6 Ų652.7 Ų52.75%0.0527%0.266CS..Hα-helixtrans-59.1-48.518000000112P255 L256 D257 L261 L262 E263 Y285 F288P255-A259 PolarHBondContact O-N 3.33Å; L256-A259 PolarHBondContact O-N 3.33Å; D257-A259 VanDerWaalsContact C-N 3.34Å; D257-A259 PolarHBondContact O-N 3.28Å; A259-L261 PolarHBondContact O-N 3.05Å; A259-L262 PolarHBondContact O-N 3.22Å; A259-E263 PolarHBondContact O-N 2.94Å; A259-Y285 WeakPolarHBondContact O-CE1 3.4Å; A259-F288 HydrophobicContact CB-CD1 4.34Å; A259-F288 HydrophobicContact CB-CE1 4.43Å
260I90.6Very high90.4Very high3 Ų348.6 Ų48.62%0.01524%0.241CC..Hα-helixtrans-56.2-48.8176.5-72.7151.3000111.8F215 V216 H219 L256 D257 E263 S264 Y292F215-I260 HydrophobicContact CB-CG2 4.19Å; F215-I260 WeakPolarHBondContact O-CG2 3.38Å; V216-I260 HydrophobicContact CG2-CD1 3.75Å; H219-I260 HydrophobicContact CB-CG2 3.47Å; H219-I260 VanDerWaalsContact CB-CG2 3.47Å; L256-I260 PolarHBondContact O-N 2.88Å; D257-I260 PolarHBondContact O-N 3.25Å; I260-E263 PolarHBondContact O-N 3.45Å; I260-S264 PolarHBondContact O-N 3.46Å; I260-S264 VanDerWaalsContact O-N 3.13Å; I260-S264 PolarHBondContact O-OG 2.87Å; I260-S264 VanDerWaalsContact O-OG 3.06Å; I260-Y292 HydrophobicContact CD1-CD1 4.02Å; I260-Y292 HydrophobicContact CD1-CE1 3.16Å; I260-Y292 HydrophobicContact CD1-CE2 4.34Å; I260-Y292 WeakPolarHBondContact CD1-OH 3.37Å; I260-Y292 HydrophobicContact CG1-CD1 4.41Å; I260-Y292 HydrophobicContact CG1-CE1 3.59Å; I260-Y292 HydrophobicContact CG1-CE2 3.8Å; I260-Y292 WeakPolarHBondContact CG1-OH 3.45Å
261L93.9Very high90.1Very high0 Ų050.1 Ų50.10%024%0.243CC..Hα-helixtrans-73.2-33.2-174.7-63.9-176.8000111.7I206 F215 F218 L244 I248 A252 D257 R258 A259 S264 I265I206-L261 HydrophobicContact CG2-CD2 4.08Å; F215-L261 HydrophobicContact CB-CD2 4.04Å; F215-L261 HydrophobicContact CD1-CD1 4.11Å; F215-L261 HydrophobicContact CD1-CD2 3.86Å; F215-L261 HydrophobicContact CD1-CG 4.37Å; F215-L261 HydrophobicContact CE1-CD1 4.08Å; F215-L261 HydrophobicContact CG-CD1 4.36Å; F215-L261 HydrophobicContact CG-CD2 4.06Å; F215-L261 HydrophobicContact CG-CG 4.34Å; F215-L261 HydrophobicContact CZ-CD1 4.34Å; F218-L261 HydrophobicContact CD1-CD2 4.21Å; L244-L261 HydrophobicContact CD1-CB 3.83Å; L244-L261 HydrophobicContact CD1-CD1 4.46Å; L244-L261 HydrophobicContact CD1-CD2 3.72Å; L244-L261 HydrophobicContact CD1-CG 4.19Å; I248-L261 HydrophobicContact CD1-CB 3.89Å; I248-L261 HydrophobicContact CG1-CB 3.48Å; I248-L261 VanDerWaalsContact CG1-CB 3.48Å; I248-L261 HydrophobicContact CG1-CD1 3.99Å; I248-L261 HydrophobicContact CG1-CG 4.42Å; A252-L261 HydrophobicContact CB-CD1 4Å; D257-L261 WeakPolarHBondContact O-CG 3.41Å; D257-L261 PolarHBondContact O-N 3.48Å; R258-L261 PolarHBondContact O-N 2.94Å; A259-L261 PolarHBondContact O-N 3.05Å; L261-S264 WeakPolarHBondContact O-CB 3.42Å; L261-S264 PolarHBondContact O-N 3.1Å; L261-I265 PolarHBondContact O-N 2.96Å; L261-I265 VanDerWaalsContact O-N 3.13Å
262L93.3Very high89.9Confident75 Ų7549.7 Ų49.739%0.39324%0.238SC..Hα-helixtrans-66.3-41.7172.5-75.3169.6000111.5I248 R258 A259 S264 I265 E266I248-L262 HydrophobicContact CD1-CD2 4.13Å; I248-L262 HydrophobicContact CD1-CG 4.4Å; R258-L262 VanDerWaalsContact O-CB 3.28Å; R258-L262 WeakPolarHBondContact O-CB 3.21Å; R258-L262 WeakPolarHBondContact O-CG 3.33Å; R258-L262 PolarHBondContact O-N 3.17Å; A259-L262 PolarHBondContact O-N 3.22Å; L262-S264 PolarHBondContact O-N 3.22Å; L262-I265 WeakPolarHBondContact O-CA 3.46Å; L262-I265 WeakPolarHBondContact O-CB 3.37Å; L262-I265 PolarHBondContact O-N 3.18Å; L262-E266 PolarHBondContact O-N 2.91Å
263E91.2Very high89.5Confident27 Ų2754.2 Ų54.213%0.12626%0.258CS..Hα-helixtrans-57.7-40.8174.1-166.7176.7160.100111.3H219 A259 I260 I265 E266 L267 Y285H219-E263 IonicContact CD2-OE2 3.19Å; H219-E263 IonicContact CE1-OE1 3.85Å; H219-E263 IonicContact CE1-OE2 2.66Å; H219-E263 IonicContact NE2-OE1 3.16Å; H219-E263 PolarHBondContact NE2-OE1 3.43Å; H219-E263 IonicContact NE2-OE2 3.39Å; H219-E263 PolarHBondContact NE2-OE2 3.26Å; A259-E263 PolarHBondContact O-N 2.94Å; I260-E263 PolarHBondContact O-N 3.45Å; E263-I265 VanDerWaalsContact C-N 3.3Å; E263-I265 PolarHBondContact O-N 2.92Å; E263-E266 PolarHBondContact O-N 3.25Å; E263-L267 WeakPolarHBondContact O-CG 3.48Å; E263-L267 PolarHBondContact O-N 3.23Å; E263-Y285 VanDerWaalsContact CA-CZ 3.46Å; E263-Y285 WeakPolarHBondContact CA-OH 3.29Å; E263-Y285 HydrophobicContact CB-CD1 3.62Å; E263-Y285 HydrophobicContact CB-CD2 4.21Å; E263-Y285 HydrophobicContact CB-CE1 3.42Å; E263-Y285 VanDerWaalsContact CB-CE1 3.42Å; E263-Y285 HydrophobicContact CB-CE2 4Å; E263-Y285 HydrophobicContact CB-CG 4.03Å; E263-Y285 VanDerWaalsContact CD-CG 3.46Å; E263-Y285 HydrophobicContact CG-CD1 3.67Å; E263-Y285 HydrophobicContact CG-CD2 3.65Å; E263-Y285 HydrophobicContact CG-CE1 3.93Å; E263-Y285 HydrophobicContact CG-CE2 3.85Å; E263-Y285 HydrophobicContact CG-CG 3.55Å; E263-Y285 PolarHBondContact N-OH 3.19Å; E263-Y285 WeakPolarHBondContact OE2-CD1 3.24Å
264S93.4Very high88.5Confident0 Ų052.1 Ų52.10%026%0.255CS..Hα-helixtrans-61-38175.3-60.90000112.3H219 I260 L261 L262 M268H219-S264 PolarHBondContact CD2-OG 3.5Å; I260-S264 PolarHBondContact O-N 3.46Å; I260-S264 VanDerWaalsContact O-N 3.13Å; I260-S264 PolarHBondContact O-OG 2.87Å; I260-S264 VanDerWaalsContact O-OG 3.06Å; L261-S264 WeakPolarHBondContact O-CB 3.42Å; L261-S264 PolarHBondContact O-N 3.1Å; L262-S264 PolarHBondContact O-N 3.22Å; S264-M268 VanDerWaalsContact O-CG 3.28Å; S264-M268 WeakPolarHBondContact O-CG 3.08Å; S264-M268 PolarHBondContact O-N 3.44Å
265I93.3Very high87.7Confident20 Ų2053.9 Ų53.910%0.10327%0.268CS..Hα-helixtrans-66.1-45.3173.6-71.5-174.4000111L244 R245 I248 L261 L262 E263 L267 M268 I269L244-I265 HydrophobicContact CD2-CD1 4.4Å; L244-I265 HydrophobicContact CD2-CG1 3.45Å; L244-I265 VanDerWaalsContact CD2-CG1 3.45Å; L244-I265 HydrophobicContact CG-CD1 4.21Å; L244-I265 HydrophobicContact CG-CG1 3.78Å; R245-I265 HydrophobicContact CG-CD1 3.68Å; I248-I265 HydrophobicContact CD1-CD1 3.27Å; I248-I265 HydrophobicContact CD1-CG1 4.04Å; L261-I265 PolarHBondContact O-N 2.96Å; L261-I265 VanDerWaalsContact O-N 3.13Å; L262-I265 WeakPolarHBondContact O-CA 3.46Å; L262-I265 WeakPolarHBondContact O-CB 3.37Å; L262-I265 PolarHBondContact O-N 3.18Å; E263-I265 VanDerWaalsContact C-N 3.3Å; E263-I265 PolarHBondContact O-N 2.92Å; I265-L267 VanDerWaalsContact C-N 3.3Å; I265-L267 PolarHBondContact O-N 3.06Å; I265-M268 WeakPolarHBondContact O-CB 3.45Å; I265-M268 PolarHBondContact O-N 3.19Å; I265-I269 HydrophobicContact CG2-CD1 3.54Å; I265-I269 HydrophobicContact CG2-CG1 4.09Å; I265-I269 WeakPolarHBondContact O-CG1 3.38Å; I265-I269 PolarHBondContact O-N 3.29Å
266E90.8Very high87Confident62 Ų6253.9 Ų53.929%0.2926%0.259SS..Hα-helixtrans-59.2-42.8179.2-70.8-62.4157.700111.5L262 E263 M268 I269 N270 Y285L262-E266 PolarHBondContact O-N 2.91Å; E263-E266 PolarHBondContact O-N 3.25Å; E266-M268 VanDerWaalsContact C-N 3.29Å; E266-M268 PolarHBondContact O-N 3.21Å; E266-I269 PolarHBondContact O-N 3.21Å; E266-N270 WeakPolarHBondContact O-CB 3.47Å; E266-N270 PolarHBondContact O-N 2.98Å; E266-N270 PolarHBondContact O-ND2 2.85Å; E266-Y285 HydrophobicContact CG-CE2 4.25Å
267L89.2Confident86.4Confident20 Ų2053.5 Ų53.511%0.10526%0.257CS..Hα-helixtrans-57.6-42.3173.4-71.3171.7000112.1S223 E263 I265 K271 W272S223-L267 WeakPolarHBondContact OG-CD1 3.34Å; E263-L267 WeakPolarHBondContact O-CG 3.48Å; E263-L267 PolarHBondContact O-N 3.23Å; I265-L267 VanDerWaalsContact C-N 3.3Å; I265-L267 PolarHBondContact O-N 3.06Å; L267-K271 PolarHBondContact O-N 3.03Å; L267-K271 VanDerWaalsContact O-N 3.16Å; L267-W272 PolarHBondContact O-N 3.24Å
268M90.6Very high85.8Confident26 Ų2657.5 Ų57.513%0.12828%0.278CS..Hα-helixtrans-69.5-40.1178.4-66.5-176.474.400112.7L222 M237 L244 S264 I265 E266 K271 W272L222-M268 HydrophobicContact CD1-CG 4.48Å; L222-M268 HydrophobicContact CD1-SD 4.24Å; M237-M268 HydrophobicContact CE-CE 3.78Å; M237-M268 WeakPolarHBondContact O-CE 3.45Å; L244-M268 HydrophobicContact CD2-SD 4.15Å; S264-M268 VanDerWaalsContact O-CG 3.28Å; S264-M268 WeakPolarHBondContact O-CG 3.08Å; S264-M268 PolarHBondContact O-N 3.44Å; I265-M268 WeakPolarHBondContact O-CB 3.45Å; I265-M268 PolarHBondContact O-N 3.19Å; E266-M268 VanDerWaalsContact C-N 3.29Å; E266-M268 PolarHBondContact O-N 3.21Å; M268-K271 PolarHBondContact O-N 2.95Å; M268-W272 HydrophobicContact CB-CH2 4.16Å; M268-W272 HydrophobicContact CG-CH2 3.69Å; M268-W272 HydrophobicContact CG-CZ2 3.76Å
269I89Confident85.3Confident96 Ų9657.4 Ų57.449%0.49228%0.283SS..Hα-helixtrans-63.9-47.6179-70.8172.2000110.1I265 E266 K271I265-I269 HydrophobicContact CG2-CD1 3.54Å; I265-I269 HydrophobicContact CG2-CG1 4.09Å; I265-I269 WeakPolarHBondContact O-CG1 3.38Å; I265-I269 PolarHBondContact O-N 3.29Å; E266-I269 PolarHBondContact O-N 3.21Å; I269-K271 PolarHBondContact O-N 3.26Å
270N86.5Confident84.9Confident26 Ų2663.1 Ų63.114%0.13931%0.312CS..THydrogen-bonded Turntrans-80.65.3-179.3-60.4-34.5000112.7E266 W272 K273 E276E266-N270 WeakPolarHBondContact O-CB 3.47Å; E266-N270 PolarHBondContact O-N 2.98Å; E266-N270 PolarHBondContact O-ND2 2.85Å; N270-W272 PolarHBondContact O-N 3.31Å; N270-W272 VanDerWaalsContact O-N 3.11Å; N270-K273 VanDerWaalsContact O-CB 3.32Å; N270-K273 WeakPolarHBondContact O-CB 3.32Å; N270-K273 PolarHBondContact O-N 3.08Å; N270-E276 HydrophobicContact CB-CB 4.28Å
271K85.2Confident84.4Confident115 Ų11565 Ų6550%0.532%0.324SS..THydrogen-bonded Turntrans4940.3-179.7-59.1-178178.6179.80112.8L267 M268 I269 K273L267-K271 PolarHBondContact O-N 3.03Å; L267-K271 VanDerWaalsContact O-N 3.16Å; M268-K271 PolarHBondContact O-N 2.95Å; I269-K271 PolarHBondContact O-N 3.26Å; K271-K273 PolarHBondContact O-N 3.39Å
272W85.9Confident83.6Confident35 Ų3570.1 Ų70.113%0.13334%0.343CS..THydrogen-bonded Turntrans56.727.5-179.1-59.6-96.8000114.5L222 G226 Q230 M237 L267 M268 N270L222-W272 HydrophobicContact CD2-CZ2 4.4Å; L222-W272 PolarHBondContact O-NE1 2.78Å; G226-W272 VanDerWaalsContact CA-CZ2 3.41Å; Q230-W272 HydrophobicContact CB-CH2 4.3Å; Q230-W272 HydrophobicContact CB-CZ3 3.78Å; Q230-W272 HydrophobicContact CG-CZ3 4.05Å; M237-W272 HydrophobicContact CE-CH2 3.77Å; M237-W272 HydrophobicContact CE-CZ2 4.2Å; L267-W272 PolarHBondContact O-N 3.24Å; M268-W272 HydrophobicContact CB-CH2 4.16Å; M268-W272 HydrophobicContact CG-CH2 3.69Å; M268-W272 HydrophobicContact CG-CZ2 3.76Å; N270-W272 PolarHBondContact O-N 3.31Å; N270-W272 VanDerWaalsContact O-N 3.11Å
273K78.7Confident83Confident96 Ų9672.3 Ų72.342%0.41735%0.351SS..  trans-94.2102.7173.5-65.8172.6172.9178.30109.4N270 K271 N275 E276N270-K273 VanDerWaalsContact O-CB 3.32Å; N270-K273 WeakPolarHBondContact O-CB 3.32Å; N270-K273 PolarHBondContact O-N 3.08Å; K271-K273 PolarHBondContact O-N 3.39Å; K273-N275 WeakPolarHBondContact CB-OD1 3.23Å; K273-N275 PolarHBondContact O-N 3.16Å; K273-N275 VanDerWaalsContact O-N 3.07Å; K273-E276 HydrophobicContact CB-CB 4.24Å; K273-E276 HydrophobicContact CB-CG 3.99Å; K273-E276 HydrophobicContact CD-CG 4.12Å; K273-E276 WeakPolarHBondContact CD-OE1 3.39Å; K273-E276 WeakPolarHBondContact CD-OE2 3.44Å; K273-E276 IonicContact NZ-OE1 2.71Å; K273-E276 PolarHBondContact NZ-OE1 3.15Å; K273-E276 IonicContact NZ-OE2 3.75Å; K273-E276 PolarHBondContact O-N 2.98Å
274D67.9Low82.4Confident122 Ų12275.9 Ų75.965%0.65237%0.367SS*.G310 helixtrans-56.4-27.8-176.8-65.3-23.7000113.8E276D274-E276 VanDerWaalsContact C-N 3.32Å
275N72.3Confident81.8Confident143 Ų14376.7 Ų76.777%0.76537%0.37SS*.G310 helixtrans-79.4-10.817966.4-32.2000114K273K273-N275 WeakPolarHBondContact CB-OD1 3.23Å; K273-N275 PolarHBondContact O-N 3.16Å; K273-N275 VanDerWaalsContact O-N 3.07Å
276E74.6Confident81Confident96 Ų9678.4 Ų78.445%0.44939%0.387SS..G310 helixtrans-94.3-10.4176.8-66.6-176.7-177.700112N270 K273 D274N270-E276 HydrophobicContact CB-CB 4.28Å; K273-E276 HydrophobicContact CB-CB 4.24Å; K273-E276 HydrophobicContact CB-CG 3.99Å; K273-E276 HydrophobicContact CD-CG 4.12Å; K273-E276 WeakPolarHBondContact CD-OE1 3.39Å; K273-E276 WeakPolarHBondContact CD-OE2 3.44Å; K273-E276 IonicContact NZ-OE1 2.71Å; K273-E276 PolarHBondContact NZ-OE1 3.15Å; K273-E276 IonicContact NZ-OE2 3.75Å; K273-E276 PolarHBondContact O-N 2.98Å; D274-E276 VanDerWaalsContact C-N 3.32Å
277Q74.7Confident80.2Confident25 Ų2582.5 Ų82.512%0.11740%0.404CS..SBendtrans-89.4125.5177.7-164.1177.512.400111.7E279 V281 R282Q277-E279 PolarHBondContact O-N 2.92Å; Q277-V281 HydrophobicContact CG-CB 4.23Å; Q277-V281 HydrophobicContact CG-CG1 4.13Å; Q277-R282 HydrophobicContact CB-CG 4.03Å; Q277-R282 HydrophobicContact CG-CG 3.79Å; Q277-R282 PolarHBondContact O-NE 3Å; Q277-R282 VanDerWaalsContact O-NE 3.17Å
278D79.2Confident79.2Confident99 Ų9983.9 Ų83.953%0.52941%0.409SS..  trans-52.3137.4175-163.2-39.9000110.9D280 V281 R282D278-D280 PolarHBondContact O-N 3.34Å; D278-D280 PolarHBondContact OD1-N 2.89Å; D278-D280 VanDerWaalsContact OD1-N 3.07Å; D278-V281 HydrophobicContact CB-CB 4.32Å; D278-V281 HydrophobicContact CB-CG2 3.93Å; D278-V281 PolarHBondContact O-N 3.22Å; D278-V281 VanDerWaalsContact O-N 3.14Å; D278-R282 PolarHBondContact O-N 3.24Å
279E80.6Confident78.1Confident114 Ų11487.9 Ų87.953%0.53343%0.426SS..Hα-helixtrans-60.8-34.4-179.3-172.6168.8-173.800112.2Q277 V281 R282 H283Q277-E279 PolarHBondContact O-N 2.92Å; E279-V281 VanDerWaalsContact C-N 3.33Å; E279-R282 PolarHBondContact O-N 3.39Å; E279-H283 WeakPolarHBondContact O-CB 3.33Å; E279-H283 PolarHBondContact O-N 3.45Å; E279-H283 PolarHBondContact O-ND1 3.43Å; E279-H283 IonicContact OE1-CE1 3.85Å
280D81.3Confident76.9Confident125 Ų12587.9 Ų87.967%0.66843%0.43SS*.Hα-helixtrans-65.7-38.9176.8-76.6-16.3000111.3D278 H283 F284D278-D280 PolarHBondContact O-N 3.34Å; D278-D280 PolarHBondContact OD1-N 2.89Å; D278-D280 VanDerWaalsContact OD1-N 3.07Å; D280-H283 PolarHBondContact O-N 2.95Å; D280-F284 WeakPolarHBondContact O-CB 3.41Å; D280-F284 PolarHBondContact O-N 2.87Å
281V80.1Confident75.7Confident44 Ų4491.1 Ų91.127%0.26745%0.445SS..Hα-helixtrans-69-42176.6-179.30000110.1Q277 D278 E279 H283 F284 Y285Q277-V281 HydrophobicContact CG-CB 4.23Å; Q277-V281 HydrophobicContact CG-CG1 4.13Å; D278-V281 HydrophobicContact CB-CB 4.32Å; D278-V281 HydrophobicContact CB-CG2 3.93Å; D278-V281 PolarHBondContact O-N 3.22Å; D278-V281 VanDerWaalsContact O-N 3.14Å; E279-V281 VanDerWaalsContact C-N 3.33Å; V281-H283 PolarHBondContact O-N 3.23Å; V281-F284 WeakPolarHBondContact O-CB 3.3Å; V281-F284 PolarHBondContact O-N 2.89Å; V281-Y285 HydrophobicContact CG1-CD2 3.73Å; V281-Y285 HydrophobicContact CG1-CE2 3.38Å; V281-Y285 WeakPolarHBondContact O-CD2 3.49Å; V281-Y285 PolarHBondContact O-N 3.46Å
282R77.7Confident74.5Confident107 Ų10786.5 Ų86.540%0.40442%0.424SS..Hα-helixtrans-61.3-44174-72.7-174.1-71.5129.43.8111.7Q277 D278 E279 Y285 A286Q277-R282 HydrophobicContact CB-CG 4.03Å; Q277-R282 HydrophobicContact CG-CG 3.79Å; Q277-R282 PolarHBondContact O-NE 3Å; Q277-R282 VanDerWaalsContact O-NE 3.17Å; D278-R282 PolarHBondContact O-N 3.24Å; E279-R282 PolarHBondContact O-N 3.39Å; R282-Y285 PolarHBondContact O-N 2.78Å; R282-A286 VanDerWaalsContact O-CB 3.28Å; R282-A286 WeakPolarHBondContact O-CB 3.46Å; R282-A286 PolarHBondContact O-N 2.71Å
283H80.4Confident72.9Confident121 Ų12189.4 Ų89.456%0.5644%0.442SS*.Hα-helixtrans-64.8-40.7176.6-94.788.8000112.7E279 D280 V281 A286 K287E279-H283 WeakPolarHBondContact O-CB 3.33Å; E279-H283 PolarHBondContact O-N 3.45Å; E279-H283 PolarHBondContact O-ND1 3.43Å; E279-H283 IonicContact OE1-CE1 3.85Å; D280-H283 PolarHBondContact O-N 2.95Å; V281-H283 PolarHBondContact O-N 3.23Å; H283-A286 PolarHBondContact O-N 2.99Å; H283-K287 WeakPolarHBondContact O-CB 3.37Å; H283-K287 PolarHBondContact O-N 3.49Å
284F80.2Confident71.1Confident102 Ų10288.6 Ų88.645%0.44745%0.448SS..Hα-helixtrans-54.2-57.3173.9177.3-91.6000109.6D280 V281 A286 K287 F288D280-F284 WeakPolarHBondContact O-CB 3.41Å; D280-F284 PolarHBondContact O-N 2.87Å; V281-F284 WeakPolarHBondContact O-CB 3.3Å; V281-F284 PolarHBondContact O-N 2.89Å; F284-A286 PolarHBondContact O-N 3.34Å; F284-K287 WeakPolarHBondContact O-CB 3.47Å; F284-K287 PolarHBondContact O-N 2.79Å; F284-F288 AromaticContact CD1-CD2 3.78Å; F284-F288 HydrophobicContact CD1-CD2 3.78Å; F284-F288 AromaticContact CD1-CE2 3.88Å; F284-F288 HydrophobicContact CD1-CE2 3.88Å; F284-F288 HydrophobicContact CD2-CD2 4.34Å; F284-F288 AromaticContact CD2-CE2 3.78Å; F284-F288 HydrophobicContact CD2-CE2 3.78Å; F284-F288 AromaticContact CE1-CD2 3.62Å; F284-F288 HydrophobicContact CE1-CD2 3.62Å; F284-F288 AromaticContact CE1-CE2 3.44Å; F284-F288 HydrophobicContact CE1-CE2 3.44Å; F284-F288 VanDerWaalsContact CE1-CE2 3.44Å; F284-F288 HydrophobicContact CE1-CZ 4.37Å; F284-F288 HydrophobicContact CE2-CD2 4.24Å; F284-F288 AromaticContact CE2-CE2 3.36Å; F284-F288 HydrophobicContact CE2-CE2 3.36Å; F284-F288 HydrophobicContact CE2-CZ 4.13Å; F284-F288 HydrophobicContact CG-CD2 4.14Å; F284-F288 HydrophobicContact CG-CE2 4.03Å; F284-F288 AromaticContact CZ-CD2 3.87Å; F284-F288 HydrophobicContact CZ-CD2 3.87Å; F284-F288 AromaticContact CZ-CE2 3.17Å; F284-F288 HydrophobicContact CZ-CE2 3.17Å; F284-F288 AromaticContact CZ-CZ 3.84Å; F284-F288 HydrophobicContact CZ-CZ 3.84Å; F284-F288 WeakPolarHBondContact O-CD2 3.46Å; F284-F288 PolarHBondContact O-N 3.05Å; F284-F288 VanDerWaalsContact O-N 3.1Å
285Y79.3Confident69.6Low17 Ų1785.9 Ų85.97%0.06744%0.438CS..Hα-helixtrans-67.4-35.9-178.7-67.3-57000113.8A259 E263 E266 V281 R282 K287 F288 K289A259-Y285 WeakPolarHBondContact O-CE1 3.4Å; E263-Y285 VanDerWaalsContact CA-CZ 3.46Å; E263-Y285 WeakPolarHBondContact CA-OH 3.29Å; E263-Y285 HydrophobicContact CB-CD1 3.62Å; E263-Y285 HydrophobicContact CB-CD2 4.21Å; E263-Y285 HydrophobicContact CB-CE1 3.42Å; E263-Y285 VanDerWaalsContact CB-CE1 3.42Å; E263-Y285 HydrophobicContact CB-CE2 4Å; E263-Y285 HydrophobicContact CB-CG 4.03Å; E263-Y285 VanDerWaalsContact CD-CG 3.46Å; E263-Y285 HydrophobicContact CG-CD1 3.67Å; E263-Y285 HydrophobicContact CG-CD2 3.65Å; E263-Y285 HydrophobicContact CG-CE1 3.93Å; E263-Y285 HydrophobicContact CG-CE2 3.85Å; E263-Y285 HydrophobicContact CG-CG 3.55Å; E263-Y285 PolarHBondContact N-OH 3.19Å; E263-Y285 WeakPolarHBondContact OE2-CD1 3.24Å; E266-Y285 HydrophobicContact CG-CE2 4.25Å; V281-Y285 HydrophobicContact CG1-CD2 3.73Å; V281-Y285 HydrophobicContact CG1-CE2 3.38Å; V281-Y285 WeakPolarHBondContact O-CD2 3.49Å; V281-Y285 PolarHBondContact O-N 3.46Å; R282-Y285 PolarHBondContact O-N 2.78Å; Y285-K287 VanDerWaalsContact C-N 3.3Å; Y285-K287 PolarHBondContact O-N 3.39Å; Y285-F288 CarbonylContact O-C 3.54Å; Y285-F288 WeakPolarHBondContact O-CB 3.42Å; Y285-F288 PolarHBondContact O-N 3.12Å; Y285-F288 VanDerWaalsContact O-N 3.1Å; Y285-K289 WeakPolarHBondContact O-CB 3.24Å; Y285-K289 PolarHBondContact O-N 3.33Å
286A76.9Confident67.9Low56 Ų5680.1 Ų80.146%0.46341%0.411SS..Hα-helixtrans-59.6-41.3173.900000111.9R282 H283 F284 F288 K289 T290R282-A286 VanDerWaalsContact O-CB 3.28Å; R282-A286 WeakPolarHBondContact O-CB 3.46Å; R282-A286 PolarHBondContact O-N 2.71Å; H283-A286 PolarHBondContact O-N 2.99Å; F284-A286 PolarHBondContact O-N 3.34Å; A286-F288 VanDerWaalsContact C-N 3.35Å; A286-K289 PolarHBondContact O-N 3.37Å; A286-T290 PolarHBondContact O-N 2.99Å
287K73.5Confident66.1Low148 Ų14878 Ų7864%0.64341%0.406SS*.Hα-helixtrans-64-40.1174.1-174.8178.6177.8-179.30111.5H283 F284 Y285 T290H283-K287 WeakPolarHBondContact O-CB 3.37Å; H283-K287 PolarHBondContact O-N 3.49Å; F284-K287 WeakPolarHBondContact O-CB 3.47Å; F284-K287 PolarHBondContact O-N 2.79Å; Y285-K287 VanDerWaalsContact C-N 3.3Å; Y285-K287 PolarHBondContact O-N 3.39Å; K287-T290 PolarHBondContact O-OG1 2.94Å
288F68.5Low64.7Low48 Ų4880.1 Ų80.121%0.21141%0.413CS..Hα-helixtrans-66.3-38.3173.9-83-77.6000112.5L256 A259 F284 Y285 A286 T290 Q291 Y292L256-F288 HydrophobicContact CD1-CD1 3.96Å; L256-F288 HydrophobicContact CD1-CE1 4.38Å; A259-F288 HydrophobicContact CB-CD1 4.34Å; A259-F288 HydrophobicContact CB-CE1 4.43Å; F284-F288 AromaticContact CD1-CD2 3.78Å; F284-F288 HydrophobicContact CD1-CD2 3.78Å; F284-F288 AromaticContact CD1-CE2 3.88Å; F284-F288 HydrophobicContact CD1-CE2 3.88Å; F284-F288 HydrophobicContact CD2-CD2 4.34Å; F284-F288 AromaticContact CD2-CE2 3.78Å; F284-F288 HydrophobicContact CD2-CE2 3.78Å; F284-F288 AromaticContact CE1-CD2 3.62Å; F284-F288 HydrophobicContact CE1-CD2 3.62Å; F284-F288 AromaticContact CE1-CE2 3.44Å; F284-F288 HydrophobicContact CE1-CE2 3.44Å; F284-F288 VanDerWaalsContact CE1-CE2 3.44Å; F284-F288 HydrophobicContact CE1-CZ 4.37Å; F284-F288 HydrophobicContact CE2-CD2 4.24Å; F284-F288 AromaticContact CE2-CE2 3.36Å; F284-F288 HydrophobicContact CE2-CE2 3.36Å; F284-F288 HydrophobicContact CE2-CZ 4.13Å; F284-F288 HydrophobicContact CG-CD2 4.14Å; F284-F288 HydrophobicContact CG-CE2 4.03Å; F284-F288 AromaticContact CZ-CD2 3.87Å; F284-F288 HydrophobicContact CZ-CD2 3.87Å; F284-F288 AromaticContact CZ-CE2 3.17Å; F284-F288 HydrophobicContact CZ-CE2 3.17Å; F284-F288 AromaticContact CZ-CZ 3.84Å; F284-F288 HydrophobicContact CZ-CZ 3.84Å; F284-F288 WeakPolarHBondContact O-CD2 3.46Å; F284-F288 PolarHBondContact O-N 3.05Å; F284-F288 VanDerWaalsContact O-N 3.1Å; Y285-F288 CarbonylContact O-C 3.54Å; Y285-F288 WeakPolarHBondContact O-CB 3.42Å; Y285-F288 PolarHBondContact O-N 3.12Å; Y285-F288 VanDerWaalsContact O-N 3.1Å; A286-F288 VanDerWaalsContact C-N 3.35Å; F288-T290 VanDerWaalsContact C-N 3.27Å; F288-T290 PolarHBondContact O-N 3.1Å; F288-Q291 WeakPolarHBondContact O-CA 3.27Å; F288-Q291 VanDerWaalsContact O-CB 3.29Å; F288-Q291 WeakPolarHBondContact O-CB 3.47Å; F288-Q291 PolarHBondContact O-N 3.11Å; F288-Y292 HydrophobicContact CB-CE2 3.97Å; F288-Y292 WeakPolarHBondContact O-CD2 3.47Å; F288-Y292 PolarHBondContact O-N 3.41Å; F288-Y292 VanDerWaalsContact O-N 3.1Å
289K67Low62.8Low111 Ų11182.9 Ų82.948%0.48342%0.423SS..Hα-helixtrans-58.8-36.8178.6-160.5169.8-176.5174.20112.8Y285 A286 Q291 Y292 D293Y285-K289 WeakPolarHBondContact O-CB 3.24Å; Y285-K289 PolarHBondContact O-N 3.33Å; A286-K289 PolarHBondContact O-N 3.37Å; K289-Q291 VanDerWaalsContact C-N 3.26Å; K289-Q291 PolarHBondContact O-N 3.34Å; K289-Y292 CarbonylContact O-C 3.52Å; K289-Y292 PolarHBondContact O-N 2.89Å; K289-Y292 VanDerWaalsContact O-N 3.09Å; K289-D293 PolarHBondContact O-N 3.05Å
290T65.6Low60.5Low96 Ų9683.3 Ų83.359%0.58943%0.429SS*.Hα-helixtrans-63.4-30.4173.763.30000113.3A286 K287 F288 S294A286-T290 PolarHBondContact O-N 2.99Å; K287-T290 PolarHBondContact O-OG1 2.94Å; F288-T290 VanDerWaalsContact C-N 3.27Å; F288-T290 PolarHBondContact O-N 3.1Å; T290-S294 PolarHBondContact O-N 3.19Å
291Q60.2Low58.3Low94 Ų9479.7 Ų79.744%0.43941%0.409SS..Hα-helixtrans-72.4-39.1172.7-57.8-178.6-6.200111F288 K289 S294 C295F288-Q291 WeakPolarHBondContact O-CA 3.27Å; F288-Q291 VanDerWaalsContact O-CB 3.29Å; F288-Q291 WeakPolarHBondContact O-CB 3.47Å; F288-Q291 PolarHBondContact O-N 3.11Å; K289-Q291 VanDerWaalsContact C-N 3.26Å; K289-Q291 PolarHBondContact O-N 3.34Å; Q291-S294 PolarHBondContact O-OG 3.42Å; Q291-C295 PolarHBondContact O-N 3.37Å
292Y59.4Low55.9Low18 Ų1884.4 Ų84.47%0.07147%0.467CS..Hα-helixtrans-68.1-44.8173.8-63.9-66.4000112.6V216 L256 I260 F288 K289 S294 C295 A296V216-Y292 HydrophobicContact CG2-CD1 4.28Å; L256-Y292 HydrophobicContact CD1-CE1 3.61Å; L256-Y292 HydrophobicContact CD1-CE2 4.05Å; L256-Y292 WeakPolarHBondContact CD1-OH 3.41Å; L256-Y292 HydrophobicContact CD2-CD1 4.36Å; L256-Y292 HydrophobicContact CD2-CE1 3.61Å; L256-Y292 HydrophobicContact CG-CD1 4.49Å; L256-Y292 HydrophobicContact CG-CE1 3.37Å; L256-Y292 VanDerWaalsContact CG-CZ 3.45Å; L256-Y292 WeakPolarHBondContact CG-OH 3.46Å; L256-Y292 PolarHBondContact O-OH 3.01Å; I260-Y292 HydrophobicContact CD1-CD1 4.02Å; I260-Y292 HydrophobicContact CD1-CE1 3.16Å; I260-Y292 HydrophobicContact CD1-CE2 4.34Å; I260-Y292 WeakPolarHBondContact CD1-OH 3.37Å; I260-Y292 HydrophobicContact CG1-CD1 4.41Å; I260-Y292 HydrophobicContact CG1-CE1 3.59Å; I260-Y292 HydrophobicContact CG1-CE2 3.8Å; I260-Y292 WeakPolarHBondContact CG1-OH 3.45Å; F288-Y292 HydrophobicContact CB-CE2 3.97Å; F288-Y292 WeakPolarHBondContact O-CD2 3.47Å; F288-Y292 PolarHBondContact O-N 3.41Å; F288-Y292 VanDerWaalsContact O-N 3.1Å; K289-Y292 CarbonylContact O-C 3.52Å; K289-Y292 PolarHBondContact O-N 2.89Å; K289-Y292 VanDerWaalsContact O-N 3.09Å; Y292-S294 PolarHBondContact O-N 3.01Å; Y292-C295 CarbonylContact O-C 3.59Å; Y292-C295 WeakPolarHBondContact O-CA 3.48Å; Y292-C295 WeakPolarHBondContact O-CB 3.41Å; Y292-C295 PolarHBondContact O-N 3.42Å; Y292-A296 WeakPolarHBondContact O-CA 3.15Å; Y292-A296 WeakPolarHBondContact O-CB 3.42Å; Y292-A296 PolarHBondContact O-N 3.32Å
293D52.7Low54.8Low96 Ų9683.3 Ų83.351%0.51347%0.47SS..Hα-helixtrans-64.1-25.5-179.3-70-23.4000111.4K289 A296 S297K289-D293 PolarHBondContact O-N 3.05Å; D293-A296 CarbonylContact O-C 3.34Å; D293-S297 PolarHBondContact O-N 3.05Å
294S41.5Very low53.4Low78 Ų7881.3 Ų81.355%0.54547%0.465SS..Hα-helixtrans-70.3-3316882.70000113.3T290 Q291 Y292 S297T290-S294 PolarHBondContact O-N 3.19Å; Q291-S294 PolarHBondContact O-OG 3.42Å; Y292-S294 PolarHBondContact O-N 3.01Å; S294-S297 PolarHBondContact O-OG 3.27Å
295C35.6Very low51.9Low66 Ų6680.2 Ų80.245%0.44647%0.466SS..Hα-helixtrans-91.5-22.5179.7-1490000113.5Q291 Y292Q291-C295 PolarHBondContact O-N 3.37Å; Y292-C295 CarbonylContact O-C 3.59Å; Y292-C295 WeakPolarHBondContact O-CA 3.48Å; Y292-C295 WeakPolarHBondContact O-CB 3.41Å; Y292-C295 PolarHBondContact O-N 3.42Å
296A37.5Very low50.3Low22 Ų2283.9 Ų83.918%0.18249%0.489CS..  trans-100.57.6174.100000110.5Y292 D293 W298Y292-A296 WeakPolarHBondContact O-CA 3.15Å; Y292-A296 WeakPolarHBondContact O-CB 3.42Å; Y292-A296 PolarHBondContact O-N 3.32Å; D293-A296 CarbonylContact O-C 3.34Å; A296-W298 HydrophobicContact CB-CZ2 4.47Å; A296-W298 VanDerWaalsContact O-CG 3.32Å; A296-W298 PolarHBondContact O-N 3.45Å; A296-W298 PolarHBondContact O-NE1 3.16Å; A296-W298 VanDerWaalsContact O-NE1 3.12Å
297S35.4Very low48.7Very low50 Ų5085.6 Ų85.635%0.3549%0.491SS..SBendtrans-57.194.413579.90000104D293 S294 H299D293-S297 PolarHBondContact O-N 3.05Å; S294-S297 PolarHBondContact O-OG 3.27Å; S297-H299 PolarHBondContact O-N 3.47Å
298W47.3Very low47Very low70 Ų7081.5 Ų81.527%0.26548%0.481SS..G310 helixtrans-61.812.2-169.1-61.895.8000113.7T67 V216 A296 N300 I301T67-W298 HydrophobicContact CG2-CB 4.07Å; T67-W298 HydrophobicContact CG2-CD2 3.53Å; T67-W298 HydrophobicContact CG2-CE3 3.25Å; T67-W298 HydrophobicContact CG2-CG 3.88Å; T67-W298 HydrophobicContact CG2-CZ3 3.84Å; V216-W298 HydrophobicContact CG1-CH2 4.45Å; A296-W298 HydrophobicContact CB-CZ2 4.47Å; A296-W298 VanDerWaalsContact O-CG 3.32Å; A296-W298 PolarHBondContact O-N 3.45Å; A296-W298 PolarHBondContact O-NE1 3.16Å; A296-W298 VanDerWaalsContact O-NE1 3.12Å; W298-N300 PolarHBondContact O-N 3.48Å; W298-I301 HydrophobicContact CE3-CD1 3.33Å; W298-I301 HydrophobicContact CE3-CG1 4.24Å; W298-I301 HydrophobicContact CZ3-CD1 3.47Å; W298-I301 VanDerWaalsContact CZ3-CD1 3.47Å
299H38.9Very low45.5Very low158 Ų15883.9 Ų83.973%0.73150%0.5SS*.G310 helixtrans-70.4-13.1173.9-65.871.9000113.2S297S297-H299 PolarHBondContact O-N 3.47Å
300N31.1Very low43.8Very low123 Ų12381.8 Ų81.866%0.65850%0.502SS*.G310 helixtrans-111.819-178.5-76.5-28.3000115W298 G302W298-N300 PolarHBondContact O-N 3.48Å; N300-G302 PolarHBondContact O-N 3.45Å
301I35.5Very low42Very low48 Ų4880.6 Ų80.625%0.24649%0.494CS..  trans-97.781.2167.5-50.3-167.3000108.8T111 P213 W298T111-I301 HydrophobicContact CG2-CG2 3.97Å; T111-I301 VanDerWaalsContact OG1-CG2 3.26Å; T111-I301 WeakPolarHBondContact OG1-CG2 3.4Å; P213-I301 HydrophobicContact CB-CD1 4.01Å; P213-I301 HydrophobicContact CG-CD1 4.2Å; W298-I301 HydrophobicContact CE3-CD1 3.33Å; W298-I301 HydrophobicContact CE3-CG1 4.24Å; W298-I301 HydrophobicContact CZ3-CD1 3.47Å; W298-I301 VanDerWaalsContact CZ3-CD1 3.47Å
302G29.2Very low40.4Very low144 Ų14479.4 Ų79.4100%1.48550%0.499SS*.  trans-1360170.200000109.9N300N300-G302 PolarHBondContact O-N 3.45Å

Retrieved 302 of 302 residues in 319.7 ms (Link to these results)

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