A0A077Z8W2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z8W2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 212 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
1M81.5Confident95.5Very high155 Ų15575.3 Ų75.376%0.76437%0.374SS*.  0-53.90-70.6-174.6-65.600111.6A3 A4 A5 L46M1-A3 PolarHBondContact O-N 3.41Å; M1-A4 WeakPolarHBondContact O-CB 3.24Å; M1-A4 PolarHBondContact O-N 3.47Å; M1-A4 VanDerWaalsContact O-N 3.09Å; M1-A5 PolarHBondContact O-N 3.48Å; M1-L46 HydrophobicContact CG-CD1 4.14Å; M1-L46 HydrophobicContact CG-CD2 4.07Å; M1-L46 HydrophobicContact CG-CG 4.18Å
2E91Very high95.7Very high172 Ų17269 Ų6980%0.80434%0.343SS*.Hα-helixtrans-52.3-48.7-177.3-66.6173.4-174.900114.4A4 A5 E6E2-A4 VanDerWaalsContact C-N 3.3Å; E2-A4 PolarHBondContact O-N 2.92Å; E2-A5 PolarHBondContact O-N 3.25Å; E2-A5 VanDerWaalsContact O-N 3.17Å; E2-E6 PolarHBondContact O-N 3.32Å
3A95Very high95.8Very high83 Ų8368.6 Ų68.669%0.68634%0.343SS*.Hα-helixtrans-60-38.9178.700000113.2M1 E6 E7M1-A3 PolarHBondContact O-N 3.41Å; A3-E6 PolarHBondContact O-N 2.83Å; A3-E7 PolarHBondContact O-N 3.5Å
4A96.3Very high95.9Very high8 Ų873.9 Ų73.97%0.06637%0.372CS..Hα-helixtrans-67.8-42.5176.600000111.2M1 E2 E6 E7 L8 L46 H49M1-A4 WeakPolarHBondContact O-CB 3.24Å; M1-A4 PolarHBondContact O-N 3.47Å; M1-A4 VanDerWaalsContact O-N 3.09Å; E2-A4 VanDerWaalsContact C-N 3.3Å; E2-A4 PolarHBondContact O-N 2.92Å; A4-E6 VanDerWaalsContact C-N 3.33Å; A4-E6 PolarHBondContact O-N 2.71Å; A4-E7 PolarHBondContact O-N 2.76Å; A4-L8 WeakPolarHBondContact O-CB 3.17Å; A4-L8 VanDerWaalsContact O-CG 3.24Å; A4-L8 WeakPolarHBondContact O-CG 3.23Å; A4-L8 PolarHBondContact O-N 3.26Å; A4-L46 HydrophobicContact CB-CD2 3.95Å; A4-H49 HydrophobicContact CB-CB 3.83Å
5A97.6Very high95.9Very high15 Ų1570.7 Ų70.712%0.12436%0.356CS..Hα-helixtrans-62.3-40.3175.500000111.7M1 E2 L8 K9 W28 L32 I45M1-A5 PolarHBondContact O-N 3.48Å; E2-A5 PolarHBondContact O-N 3.25Å; E2-A5 VanDerWaalsContact O-N 3.17Å; A5-L8 PolarHBondContact O-N 3.16Å; A5-K9 WeakPolarHBondContact O-CB 3.47Å; A5-K9 PolarHBondContact O-N 3.33Å; A5-W28 HydrophobicContact CB-CZ2 4.47Å; A5-W28 WeakPolarHBondContact O-CH2 3.43Å; A5-W28 WeakPolarHBondContact O-CZ2 3.29Å; A5-L32 HydrophobicContact CB-CD1 3.94Å; A5-I45 HydrophobicContact CB-CG1 4.29Å
6E97.9Very high95.7Very high92 Ų9266.7 Ų66.743%0.4334%0.336SS..Hα-helixtrans-69.1-40.1178.9-173.854.6-144.600112.7E2 A3 A4 K9 R10E2-E6 PolarHBondContact O-N 3.32Å; A3-E6 PolarHBondContact O-N 2.83Å; A4-E6 VanDerWaalsContact C-N 3.33Å; A4-E6 PolarHBondContact O-N 2.71Å; E6-K9 PolarHBondContact O-N 3.45Å; E6-R10 PolarHBondContact O-N 3.05Å
7E98.1Very high95.5Very high61 Ų6166.8 Ų66.829%0.28535%0.35SS..Hα-helixtrans-61.5-44.7172.2-178.260.8-144.500111.5A3 A4 K9 R10 R11A3-E7 PolarHBondContact O-N 3.5Å; A4-E7 PolarHBondContact O-N 2.76Å; E7-K9 VanDerWaalsContact C-N 3.34Å; E7-K9 PolarHBondContact O-N 3.35Å; E7-R10 PolarHBondContact O-N 3.31Å; E7-R10 IonicContact OE1-NH1 3.97Å; E7-R10 IonicContact OE2-CZ 3.5Å; E7-R10 IonicContact OE2-NH1 3.47Å; E7-R10 PolarHBondContact OE2-NH1 3.21Å; E7-R10 IonicContact OE2-NH2 3.69Å; E7-R10 PolarHBondContact OE2-NH2 3.43Å; E7-R11 PolarHBondContact O-N 3.14Å
8L98.6Very high95.1Very high1 Ų171.5 Ų71.51%0.00538%0.375CS..Hα-helixtrans-64.8-37176.9-73.4175.4000112.5A4 A5 R11 W12 W28 I45 I48 H49 F52 F73A4-L8 WeakPolarHBondContact O-CB 3.17Å; A4-L8 VanDerWaalsContact O-CG 3.24Å; A4-L8 WeakPolarHBondContact O-CG 3.23Å; A4-L8 PolarHBondContact O-N 3.26Å; A5-L8 PolarHBondContact O-N 3.16Å; L8-R11 PolarHBondContact O-N 3.11Å; L8-W12 WeakPolarHBondContact O-CB 3.36Å; L8-W12 PolarHBondContact O-N 2.75Å; L8-W28 HydrophobicContact CB-CH2 3.62Å; L8-W28 HydrophobicContact CB-CZ3 3.98Å; L8-I45 HydrophobicContact CD1-CD1 3.38Å; L8-I45 HydrophobicContact CD1-CG1 3.75Å; L8-I48 HydrophobicContact CD1-CB 4.11Å; L8-I48 HydrophobicContact CD1-CG2 3.83Å; L8-I48 HydrophobicContact CD2-CG2 3.89Å; L8-H49 HydrophobicContact CD1-CB 3.95Å; L8-H49 HydrophobicContact CG-CB 4.22Å; L8-F52 HydrophobicContact CD2-CB 4.48Å; L8-F52 HydrophobicContact CD2-CD2 3.36Å; L8-F52 HydrophobicContact CD2-CE2 3.91Å; L8-F52 HydrophobicContact CD2-CG 4.23Å; L8-F73 HydrophobicContact CB-CE1 4.33Å; L8-F73 HydrophobicContact CD2-CE1 4.13Å; L8-F73 HydrophobicContact CD2-CZ 4.28Å
9K98.4Very high95Very high80 Ų8068.1 Ų68.135%0.34836%0.359SS..Hα-helixtrans-62-45.7174-171.4179.2-177.3-175.80111.6A5 E6 E7 R11 W12 N13 W28A5-K9 WeakPolarHBondContact O-CB 3.47Å; A5-K9 PolarHBondContact O-N 3.33Å; E6-K9 PolarHBondContact O-N 3.45Å; E7-K9 VanDerWaalsContact C-N 3.34Å; E7-K9 PolarHBondContact O-N 3.35Å; K9-R11 VanDerWaalsContact C-N 3.32Å; K9-R11 PolarHBondContact O-N 3.41Å; K9-W12 WeakPolarHBondContact O-CB 3.28Å; K9-W12 PolarHBondContact O-N 3.45Å; K9-N13 PolarHBondContact O-N 2.96Å; K9-W28 HydrophobicContact CB-CD2 4.06Å; K9-W28 HydrophobicContact CB-CH2 4.11Å; K9-W28 HydrophobicContact CB-CZ2 3.58Å; K9-W28 HydrophobicContact CG-CD2 3.96Å; K9-W28 HydrophobicContact CG-CG 4.07Å; K9-W28 HydrophobicContact CG-CZ2 4.23Å
10R98.2Very high95Very high118 Ų11869 Ų6945%0.44537%0.367SS..Hα-helixtrans-59.8-44.3175.6-76.8-174.7-84.2117.61.3111E6 E7 N13 L14E6-R10 PolarHBondContact O-N 3.05Å; E7-R10 PolarHBondContact O-N 3.31Å; E7-R10 IonicContact OE1-NH1 3.97Å; E7-R10 IonicContact OE2-CZ 3.5Å; E7-R10 IonicContact OE2-NH1 3.47Å; E7-R10 PolarHBondContact OE2-NH1 3.21Å; E7-R10 IonicContact OE2-NH2 3.69Å; E7-R10 PolarHBondContact OE2-NH2 3.43Å; R10-N13 PolarHBondContact O-N 2.98Å; R10-L14 WeakPolarHBondContact O-CG 3.35Å; R10-L14 PolarHBondContact O-N 3.37Å; R10-L14 VanDerWaalsContact O-N 3.08Å
11R98.1Very high95Very high43 Ų4370.6 Ų70.616%0.16238%0.376CS..Hα-helixtrans-61.6-45.4175.1-175.1173.8-59.6-104.6-4.4112.6E7 L8 K9 N13 L14 L15 F52 D56 F73E7-R11 PolarHBondContact O-N 3.14Å; L8-R11 PolarHBondContact O-N 3.11Å; K9-R11 VanDerWaalsContact C-N 3.32Å; K9-R11 PolarHBondContact O-N 3.41Å; R11-N13 VanDerWaalsContact C-N 3.32Å; R11-N13 PolarHBondContact O-N 3.19Å; R11-L14 PolarHBondContact O-N 3.17Å; R11-L15 VanDerWaalsContact O-CB 3.31Å; R11-L15 WeakPolarHBondContact O-CB 3.47Å; R11-L15 PolarHBondContact O-N 2.86Å; R11-F52 HydrophobicContact CG-CE1 4.47Å; R11-D56 IonicContact CZ-OD1 2.68Å; R11-D56 IonicContact CZ-OD2 2.95Å; R11-D56 IonicContact NH1-OD1 2.7Å; R11-D56 PolarHBondContact NH1-OD1 3.24Å; R11-D56 IonicContact NH1-OD2 2.7Å; R11-D56 PolarHBondContact NH1-OD2 3.4Å; R11-D56 IonicContact NH2-OD1 3.84Å; R11-D56 IonicContact NH2-OD2 3.02Å; R11-D56 PolarHBondContact NH2-OD2 3.25Å; R11-F73 HydrophobicContact CB-CZ 4.4Å; R11-F73 HydrophobicContact CG-CE2 4.3Å; R11-F73 HydrophobicContact CG-CZ 4.31Å
12W98.1Very high95.7Very high0 Ų069.9 Ų69.90%037%0.37CS..Hα-helixtrans-57.7-45176.8170.9-102.9000111.7L8 K9 L14 L15 N16 K24 W27 W28 I31 F70 F73 F74 F97L8-W12 WeakPolarHBondContact O-CB 3.36Å; L8-W12 PolarHBondContact O-N 2.75Å; K9-W12 WeakPolarHBondContact O-CB 3.28Å; K9-W12 PolarHBondContact O-N 3.45Å; W12-L14 PolarHBondContact O-N 3.08Å; W12-L15 PolarHBondContact O-N 3.01Å; W12-N16 VanDerWaalsContact CE2-ND2 3.33Å; W12-N16 VanDerWaalsContact CH2-ND2 3.3Å; W12-N16 WeakPolarHBondContact CH2-ND2 3.27Å; W12-N16 WeakPolarHBondContact CZ2-ND2 3.25Å; W12-N16 WeakPolarHBondContact CZ3-ND2 3.38Å; W12-N16 WeakPolarHBondContact O-CB 3.47Å; W12-N16 PolarHBondContact O-N 3.24Å; W12-N16 VanDerWaalsContact O-N 3.1Å; W12-N16 PolarHBondContact O-ND2 2.95Å; W12-K24 PolarHBondContact NE1-O 2.87Å; W12-W27 HydrophobicContact CH2-CB 4.11Å; W12-W27 HydrophobicContact CZ2-CB 3.51Å; W12-W27 HydrophobicContact CZ2-CG 4.49Å; W12-W28 HydrophobicContact CB-CE3 3.93Å; W12-W28 HydrophobicContact CB-CZ3 4.38Å; W12-W28 HydrophobicContact CG-CB 4.47Å; W12-W28 HydrophobicContact CG-CE3 4.03Å; W12-I31 HydrophobicContact CD2-CD1 4.1Å; W12-I31 HydrophobicContact CE3-CD1 3.74Å; W12-I31 HydrophobicContact CH2-CD1 4.03Å; W12-I31 HydrophobicContact CZ2-CD1 4.36Å; W12-I31 HydrophobicContact CZ3-CD1 3.71Å; W12-F70 HydrophobicContact CH2-CE1 4.48Å; W12-F70 HydrophobicContact CZ3-CD1 4.32Å; W12-F70 HydrophobicContact CZ3-CE1 4.11Å; W12-F73 HydrophobicContact CB-CE2 4.47Å; W12-F73 HydrophobicContact CB-CZ 4.06Å; W12-F73 HydrophobicContact CE3-CD2 4.03Å; W12-F73 HydrophobicContact CE3-CE2 4.23Å; W12-F73 HydrophobicContact CE3-CG 4.23Å; W12-F74 AromaticContact CH2-CE2 4Å; W12-F74 HydrophobicContact CH2-CE2 4Å; W12-F74 HydrophobicContact CH2-CZ 4.26Å; W12-F74 AromaticContact CZ3-CE2 3.87Å; W12-F74 HydrophobicContact CZ3-CE2 3.87Å; W12-F97 HydrophobicContact CH2-CD1 4.44Å; W12-F97 HydrophobicContact CH2-CD2 4.29Å; W12-F97 AromaticContact CH2-CE1 3.89Å; W12-F97 HydrophobicContact CH2-CE1 3.89Å; W12-F97 AromaticContact CH2-CE2 3.7Å; W12-F97 HydrophobicContact CH2-CE2 3.7Å; W12-F97 AromaticContact CH2-CZ 3.49Å; W12-F97 HydrophobicContact CH2-CZ 3.49Å; W12-F97 VanDerWaalsContact CH2-CZ 3.49Å; W12-F97 AromaticContact CZ2-CE2 3.85Å; W12-F97 HydrophobicContact CZ2-CE2 3.85Å; W12-F97 AromaticContact CZ2-CZ 3.98Å; W12-F97 HydrophobicContact CZ2-CZ 3.98Å; W12-F97 HydrophobicContact CZ3-CZ 4.47Å
13N97.2Very high96Very high64 Ų6462.7 Ų62.734%0.34234%0.338SS..Hα-helixtrans-64.9-39.6178.5-72-16.7000112.5K9 R10 R11 N16 A17K9-N13 PolarHBondContact O-N 2.96Å; R10-N13 PolarHBondContact O-N 2.98Å; R11-N13 VanDerWaalsContact C-N 3.32Å; R11-N13 PolarHBondContact O-N 3.19Å; N13-N16 CarbonylContact O-C 3.46Å; N13-N16 PolarHBondContact O-N 3.39Å; N13-A17 PolarHBondContact O-N 3.21Å
14L96.4Very high96.1Very high142 Ų14259.9 Ų59.974%0.74331%0.31SS*.Hα-helixtrans-68.9-41176.3-70.7171.3000112.1R10 R11 W12 N16 A17R10-L14 WeakPolarHBondContact O-CG 3.35Å; R10-L14 PolarHBondContact O-N 3.37Å; R10-L14 VanDerWaalsContact O-N 3.08Å; R11-L14 PolarHBondContact O-N 3.17Å; W12-L14 PolarHBondContact O-N 3.08Å; L14-N16 PolarHBondContact O-N 3.3Å; L14-A17 PolarHBondContact O-N 3.12Å
15L96Very high96.1Very high27 Ų2763.1 Ų63.114%0.14133%0.332CS..Hα-helixtrans-62.2-30177.6-178.160.3000111.8R11 W12 Y66 A69 F70 F73R11-L15 VanDerWaalsContact O-CB 3.31Å; R11-L15 WeakPolarHBondContact O-CB 3.47Å; R11-L15 PolarHBondContact O-N 2.86Å; W12-L15 PolarHBondContact O-N 3.01Å; L15-Y66 HydrophobicContact CD1-CD1 3.8Å; L15-A69 HydrophobicContact CD1-CB 4.05Å; L15-A69 HydrophobicContact CD2-CB 4Å; L15-F70 HydrophobicContact CD1-CD2 4.23Å; L15-F70 HydrophobicContact CD1-CE2 3.88Å; L15-F70 HydrophobicContact CD1-CZ 4.1Å; L15-F70 HydrophobicContact CD2-CD1 3.72Å; L15-F70 HydrophobicContact CD2-CD2 4.27Å; L15-F70 HydrophobicContact CD2-CE1 3.71Å; L15-F70 HydrophobicContact CD2-CE2 4.28Å; L15-F70 HydrophobicContact CD2-CG 4Å; L15-F70 HydrophobicContact CD2-CZ 4.01Å; L15-F70 HydrophobicContact CG-CD1 4.28Å; L15-F70 HydrophobicContact CG-CD2 4.36Å; L15-F70 HydrophobicContact CG-CE1 3.81Å; L15-F70 HydrophobicContact CG-CE2 3.92Å; L15-F70 HydrophobicContact CG-CZ 3.62Å; L15-F73 HydrophobicContact CD2-CD2 3.87Å; L15-F73 HydrophobicContact CD2-CE2 3.95Å
16N92.9Very high96.1Very high6 Ų665.1 Ų65.13%0.03235%0.349CS..THydrogen-bonded Turntrans-113.230.7-176.2-65.3-69.4000113.2W12 N13 L14 D18 A19 K24 F70 F97W12-N16 VanDerWaalsContact CE2-ND2 3.33Å; W12-N16 VanDerWaalsContact CH2-ND2 3.3Å; W12-N16 WeakPolarHBondContact CH2-ND2 3.27Å; W12-N16 WeakPolarHBondContact CZ2-ND2 3.25Å; W12-N16 WeakPolarHBondContact CZ3-ND2 3.38Å; W12-N16 WeakPolarHBondContact O-CB 3.47Å; W12-N16 PolarHBondContact O-N 3.24Å; W12-N16 VanDerWaalsContact O-N 3.1Å; W12-N16 PolarHBondContact O-ND2 2.95Å; N13-N16 CarbonylContact O-C 3.46Å; N13-N16 PolarHBondContact O-N 3.39Å; L14-N16 PolarHBondContact O-N 3.3Å; N16-D18 PolarHBondContact O-N 3.16Å; N16-A19 HydrophobicContact CB-CB 4.1Å; N16-A19 WeakPolarHBondContact O-CB 3.39Å; N16-A19 PolarHBondContact O-N 3.34Å; N16-K24 HydrophobicContact CB-CD 4.12Å; N16-K24 HydrophobicContact CB-CG 3.88Å; N16-K24 WeakPolarHBondContact O-CD 3.48Å; N16-F70 WeakPolarHBondContact OD1-CE1 3.49Å; N16-F70 WeakPolarHBondContact OD1-CZ 3.41Å; N16-F97 WeakPolarHBondContact OD1-CZ 3.45Å
17A91.9Very high96.1Very high69 Ų6961.5 Ų61.557%0.5733%0.331SS*.THydrogen-bonded Turntrans-52.5-33.3-174.300000113.7N13 L14N13-A17 PolarHBondContact O-N 3.21Å; L14-A17 PolarHBondContact O-N 3.12Å
18D89.2Confident96.2Very high151 Ų15159.4 Ų59.481%0.80732%0.321SS*.THydrogen-bonded Turntrans-79.9-12.8179.7-61.7-32.8000114.2N16N16-D18 PolarHBondContact O-N 3.16Å
19A92.4Very high96.1Very high7 Ų765.5 Ų65.56%0.05835%0.347CS..SBendtrans-79.6145.6177.100000111N16 K24 T101N16-A19 HydrophobicContact CB-CB 4.1Å; N16-A19 WeakPolarHBondContact O-CB 3.39Å; N16-A19 PolarHBondContact O-N 3.34Å; A19-K24 HydrophobicContact CB-CD 4.43Å; A19-K24 HydrophobicContact CB-CG 3.85Å; A19-K24 WeakPolarHBondContact O-CE 3.33Å; A19-K24 PolarHBondContact O-NZ 3.44Å; A19-T101 VanDerWaalsContact CB-OG1 3.29Å; A19-T101 WeakPolarHBondContact CB-OG1 3.42Å
20V94.8Very high96.1Very high86 Ų8664.8 Ų64.852%0.52134%0.342SS..  trans-62.1149.5172.6-59.90000111E22 V23 K24V20-E22 PolarHBondContact O-N 2.94Å; V20-V23 HydrophobicContact CG2-CB 3.85Å; V20-V23 HydrophobicContact CG2-CG2 3.44Å; V20-V23 VanDerWaalsContact CG2-CG2 3.44Å; V20-V23 PolarHBondContact O-N 2.98Å; V20-V23 VanDerWaalsContact O-N 3.16Å; V20-K24 PolarHBondContact O-N 3.24Å; V20-K24 VanDerWaalsContact O-N 3.08Å
21D96Very high96.2Very high103 Ų10359.2 Ų59.255%0.55132%0.321SS*.Hα-helixtrans-62.3-32-171.9-74.2-17.5000112.8K24 S25D21-K24 WeakPolarHBondContact OD1-CE 3.19Å; D21-K24 IonicContact OD1-NZ 3.27Å; D21-K24 PolarHBondContact OD1-NZ 2.82Å; D21-S25 VanDerWaalsContact O-CB 3.26Å; D21-S25 WeakPolarHBondContact O-CB 3.47Å; D21-S25 PolarHBondContact O-N 3.31Å; D21-S25 PolarHBondContact O-OG 2.91Å
22E96.7Very high96.2Very high140 Ų14059.7 Ų59.765%0.65433%0.327SS*.Hα-helixtrans-64.2-45.7176.8-62.975.8-165.700111.3V20 S25 A26V20-E22 PolarHBondContact O-N 2.94Å; E22-S25 PolarHBondContact O-N 3.04Å; E22-A26 VanDerWaalsContact O-CB 3.31Å; E22-A26 WeakPolarHBondContact O-CB 3.32Å; E22-A26 PolarHBondContact O-N 2.93Å
23V96.4Very high96.2Very high20 Ų2064.6 Ų64.612%0.12135%0.35CS..Hα-helixtrans-66.2-46.3178.7172.40000110V20 S25 A26 W27 F97 E100V20-V23 HydrophobicContact CG2-CB 3.85Å; V20-V23 HydrophobicContact CG2-CG2 3.44Å; V20-V23 VanDerWaalsContact CG2-CG2 3.44Å; V20-V23 PolarHBondContact O-N 2.98Å; V20-V23 VanDerWaalsContact O-N 3.16Å; V23-S25 VanDerWaalsContact C-N 3.31Å; V23-S25 PolarHBondContact O-N 2.99Å; V23-A26 PolarHBondContact O-N 3.47Å; V23-W27 PolarHBondContact O-N 3.2Å; V23-F97 HydrophobicContact CG1-CD2 4.39Å; V23-F97 HydrophobicContact CG1-CE2 4.04Å; V23-E100 HydrophobicContact CG1-CB 4.02Å; V23-E100 HydrophobicContact CG2-CB 4.19Å
24K96.4Very high96.2Very high24 Ų2461.9 Ų61.910%0.10434%0.336CS..Hα-helixtrans-56.5-45.8175.3-73.4-178.5-68.1-148.80111.8W12 N16 A19 V20 D21 W28W12-K24 PolarHBondContact NE1-O 2.87Å; N16-K24 HydrophobicContact CB-CD 4.12Å; N16-K24 HydrophobicContact CB-CG 3.88Å; N16-K24 WeakPolarHBondContact O-CD 3.48Å; A19-K24 HydrophobicContact CB-CD 4.43Å; A19-K24 HydrophobicContact CB-CG 3.85Å; A19-K24 WeakPolarHBondContact O-CE 3.33Å; A19-K24 PolarHBondContact O-NZ 3.44Å; V20-K24 PolarHBondContact O-N 3.24Å; V20-K24 VanDerWaalsContact O-N 3.08Å; D21-K24 WeakPolarHBondContact OD1-CE 3.19Å; D21-K24 IonicContact OD1-NZ 3.27Å; D21-K24 PolarHBondContact OD1-NZ 2.82Å; K24-W28 VanDerWaalsContact O-CB 3.26Å; K24-W28 WeakPolarHBondContact O-CB 3.46Å; K24-W28 PolarHBondContact O-N 2.94Å
25S97.4Very high96.3Very high76 Ų7655.1 Ų55.153%0.53130%0.301SS..Hα-helixtrans-69.8-42.1-176.1-60.90000112.2D21 E22 V23 K29D21-S25 VanDerWaalsContact O-CB 3.26Å; D21-S25 WeakPolarHBondContact O-CB 3.47Å; D21-S25 PolarHBondContact O-N 3.31Å; D21-S25 PolarHBondContact O-OG 2.91Å; E22-S25 PolarHBondContact O-N 3.04Å; V23-S25 VanDerWaalsContact C-N 3.31Å; V23-S25 PolarHBondContact O-N 2.99Å; S25-K29 WeakPolarHBondContact O-CB 3.16Å; S25-K29 PolarHBondContact O-N 3.48Å
26A98Very high96.4Very high57 Ų5757.4 Ų57.447%0.47132%0.316SS..Hα-helixtrans-62.7-47.6177.900000111.6E22 V23 K29 R30E22-A26 VanDerWaalsContact O-CB 3.31Å; E22-A26 WeakPolarHBondContact O-CB 3.32Å; E22-A26 PolarHBondContact O-N 2.93Å; V23-A26 PolarHBondContact O-N 3.47Å; A26-K29 WeakPolarHBondContact O-CB 3.48Å; A26-K29 PolarHBondContact O-N 2.98Å; A26-R30 PolarHBondContact O-N 3.36Å
27W98.2Very high96.6Very high17 Ų1758.3 Ų58.36%0.06432%0.324CS..Hα-helixtrans-72.1-35.9179.6-80.495000113.2W12 V23 K29 R30 I31 F74 I77 E93 K96 F97 E100W12-W27 HydrophobicContact CH2-CB 4.11Å; W12-W27 HydrophobicContact CZ2-CB 3.51Å; W12-W27 HydrophobicContact CZ2-CG 4.49Å; V23-W27 PolarHBondContact O-N 3.2Å; W27-K29 VanDerWaalsContact C-N 3.3Å; W27-K29 PolarHBondContact O-N 2.87Å; W27-R30 HydrophobicContact CE3-CB 4.43Å; W27-R30 HydrophobicContact CE3-CG 4.2Å; W27-R30 HydrophobicContact CZ3-CG 4.17Å; W27-R30 PolarHBondContact O-N 2.97Å; W27-I31 WeakPolarHBondContact O-CB 3.44Å; W27-I31 VanDerWaalsContact O-CG1 3.27Å; W27-I31 WeakPolarHBondContact O-CG1 3.1Å; W27-I31 PolarHBondContact O-N 2.8Å; W27-F74 AromaticContact CE3-CE1 3.83Å; W27-F74 HydrophobicContact CE3-CE1 3.83Å; W27-F74 AromaticContact CE3-CZ 3.86Å; W27-F74 HydrophobicContact CE3-CZ 3.86Å; W27-F74 HydrophobicContact CH2-CE1 4.44Å; W27-F74 AromaticContact CZ3-CE1 3.63Å; W27-F74 HydrophobicContact CZ3-CE1 3.63Å; W27-F74 HydrophobicContact CZ3-CZ 4.14Å; W27-I77 HydrophobicContact CZ3-CD1 4.34Å; W27-E93 HydrophobicContact CH2-CB 4.44Å; W27-E93 WeakPolarHBondContact CH2-O 3.11Å; W27-E93 HydrophobicContact CZ3-CB 4.38Å; W27-K96 HydrophobicContact CH2-CB 4.09Å; W27-K96 HydrophobicContact CZ2-CB 3.96Å; W27-F97 HydrophobicContact CB-CD2 4.25Å; W27-F97 HydrophobicContact CB-CE2 4.46Å; W27-F97 AromaticContact CD1-CD2 3.42Å; W27-F97 VanDerWaalsContact CD1-CD2 3.42Å; W27-F97 HydrophobicContact CD2-CB 3.85Å; W27-F97 AromaticContact CD2-CD2 3.73Å; W27-F97 HydrophobicContact CD2-CD2 3.73Å; W27-F97 HydrophobicContact CD2-CG 4.1Å; W27-F97 AromaticContact CE2-CD2 3.77Å; W27-F97 HydrophobicContact CE3-CB 4.14Å; W27-F97 AromaticContact CG-CD2 3.51Å; W27-F97 HydrophobicContact CG-CD2 3.51Å; W27-F97 HydrophobicContact CG-CE2 4.12Å; W27-F97 HydrophobicContact CG-CG 4.31Å; W27-F97 HydrophobicContact CH2-CB 3.88Å; W27-F97 VanDerWaalsContact CZ2-CA 3.48Å; W27-F97 HydrophobicContact CZ2-CB 3.56Å; W27-F97 VanDerWaalsContact CZ2-N 3.33Å; W27-F97 HydrophobicContact CZ3-CB 4.16Å; W27-F97 AromaticContact NE1-CD2 3.56Å; W27-E100 PolarHBondContact NE1-OE2 3.32Å
28W98.3Very high96.8Very high17 Ų1760.8 Ų60.86%0.06433%0.334CS..Hα-helixtrans-59.3-43.9170.7176.1-111.6000111.6A5 L8 K9 W12 K24 R30 I31 L32 I45 F73A5-W28 HydrophobicContact CB-CZ2 4.47Å; A5-W28 WeakPolarHBondContact O-CH2 3.43Å; A5-W28 WeakPolarHBondContact O-CZ2 3.29Å; L8-W28 HydrophobicContact CB-CH2 3.62Å; L8-W28 HydrophobicContact CB-CZ3 3.98Å; K9-W28 HydrophobicContact CB-CD2 4.06Å; K9-W28 HydrophobicContact CB-CH2 4.11Å; K9-W28 HydrophobicContact CB-CZ2 3.58Å; K9-W28 HydrophobicContact CG-CD2 3.96Å; K9-W28 HydrophobicContact CG-CG 4.07Å; K9-W28 HydrophobicContact CG-CZ2 4.23Å; W12-W28 HydrophobicContact CB-CE3 3.93Å; W12-W28 HydrophobicContact CB-CZ3 4.38Å; W12-W28 HydrophobicContact CG-CB 4.47Å; W12-W28 HydrophobicContact CG-CE3 4.03Å; K24-W28 VanDerWaalsContact O-CB 3.26Å; K24-W28 WeakPolarHBondContact O-CB 3.46Å; K24-W28 PolarHBondContact O-N 2.94Å; W28-R30 PolarHBondContact O-N 2.98Å; W28-I31 HydrophobicContact CE3-CB 4.47Å; W28-I31 HydrophobicContact CE3-CG2 4.2Å; W28-I31 HydrophobicContact CZ3-CG2 3.98Å; W28-I31 PolarHBondContact O-N 2.79Å; W28-L32 HydrophobicContact CZ2-CB 4.4Å; W28-L32 HydrophobicContact CZ2-CD1 4.14Å; W28-L32 VanDerWaalsContact O-CB 3.31Å; W28-L32 WeakPolarHBondContact O-CB 3.44Å; W28-L32 PolarHBondContact O-N 3.02Å; W28-I45 HydrophobicContact CH2-CD1 4.4Å; W28-F73 HydrophobicContact CZ3-CE1 4.2Å
29K98.3Very high97Very high128 Ų12858 Ų5856%0.55732%0.319SS*.Hα-helixtrans-58.9-47.4175.4-179.9-179.4171.4-177.30111S25 A26 W27 I31 L32 E33S25-K29 WeakPolarHBondContact O-CB 3.16Å; S25-K29 PolarHBondContact O-N 3.48Å; A26-K29 WeakPolarHBondContact O-CB 3.48Å; A26-K29 PolarHBondContact O-N 2.98Å; W27-K29 VanDerWaalsContact C-N 3.3Å; W27-K29 PolarHBondContact O-N 2.87Å; K29-I31 PolarHBondContact O-N 2.78Å; K29-L32 PolarHBondContact O-N 3.16Å; K29-E33 WeakPolarHBondContact CE-OE1 3.3Å; K29-E33 HydrophobicContact CG-CG 4.42Å; K29-E33 IonicContact NZ-OE1 3.64Å; K29-E33 WeakPolarHBondContact O-CB 3.44Å; K29-E33 VanDerWaalsContact O-CG 3.31Å; K29-E33 WeakPolarHBondContact O-CG 3.19Å; K29-E33 PolarHBondContact O-N 3.48Å
30R98.4Very high97.2Very high66 Ų6658.6 Ų58.625%0.24932%0.32CS..Hα-helixtrans-60.2-43.5177.4173.661.6-177.194.42.8113A26 W27 W28 A34 I77 E93A26-R30 PolarHBondContact O-N 3.36Å; W27-R30 HydrophobicContact CE3-CB 4.43Å; W27-R30 HydrophobicContact CE3-CG 4.2Å; W27-R30 HydrophobicContact CZ3-CG 4.17Å; W27-R30 PolarHBondContact O-N 2.97Å; W28-R30 PolarHBondContact O-N 2.98Å; R30-A34 PolarHBondContact O-N 3Å; R30-A34 VanDerWaalsContact O-N 3.09Å; R30-I77 HydrophobicContact CG-CD1 4.2Å; R30-E93 IonicContact CZ-OE2 2.68Å; R30-E93 VanDerWaalsContact CZ-OE2 3.31Å; R30-E93 IonicContact NE-OE2 3.77Å; R30-E93 PolarHBondContact NE-OE2 3.32Å; R30-E93 IonicContact NH2-OE2 3.39Å; R30-E93 PolarHBondContact NH2-OE2 3.45Å
31I98.5Very high97.3Very high0 Ų057.8 Ų57.80%031%0.311CS..Hα-helixtrans-61.4-51.7175.4-74165.4000109.5W12 W27 W28 K29 E33 A34 Y35 F73 I77W12-I31 HydrophobicContact CD2-CD1 4.1Å; W12-I31 HydrophobicContact CE3-CD1 3.74Å; W12-I31 HydrophobicContact CH2-CD1 4.03Å; W12-I31 HydrophobicContact CZ2-CD1 4.36Å; W12-I31 HydrophobicContact CZ3-CD1 3.71Å; W27-I31 WeakPolarHBondContact O-CB 3.44Å; W27-I31 VanDerWaalsContact O-CG1 3.27Å; W27-I31 WeakPolarHBondContact O-CG1 3.1Å; W27-I31 PolarHBondContact O-N 2.8Å; W28-I31 HydrophobicContact CE3-CB 4.47Å; W28-I31 HydrophobicContact CE3-CG2 4.2Å; W28-I31 HydrophobicContact CZ3-CG2 3.98Å; W28-I31 PolarHBondContact O-N 2.79Å; K29-I31 PolarHBondContact O-N 2.78Å; I31-E33 PolarHBondContact O-N 2.98Å; I31-A34 PolarHBondContact O-N 3.36Å; I31-Y35 HydrophobicContact CG2-CD2 3.79Å; I31-Y35 HydrophobicContact CG2-CE2 4.02Å; I31-Y35 WeakPolarHBondContact O-CD2 3.41Å; I31-Y35 PolarHBondContact O-N 2.99Å; I31-F73 HydrophobicContact CD1-CB 4.31Å; I31-F73 HydrophobicContact CD1-CD1 4.3Å; I31-F73 HydrophobicContact CD1-CG 4.49Å; I31-F73 HydrophobicContact CG2-CD1 4.14Å; I31-I77 HydrophobicContact CG1-CD1 3.91Å
32L98.4Very high97.4Very high53 Ų5354.1 Ų54.128%0.27729%0.29SS..Hα-helixtrans-59.3-49.7-178.6-174.563.3000110.8A5 W28 K29 A34 Y35 T36 I45A5-L32 HydrophobicContact CB-CD1 3.94Å; W28-L32 HydrophobicContact CZ2-CB 4.4Å; W28-L32 HydrophobicContact CZ2-CD1 4.14Å; W28-L32 VanDerWaalsContact O-CB 3.31Å; W28-L32 WeakPolarHBondContact O-CB 3.44Å; W28-L32 PolarHBondContact O-N 3.02Å; K29-L32 PolarHBondContact O-N 3.16Å; L32-A34 VanDerWaalsContact C-N 3.31Å; L32-A34 PolarHBondContact O-N 3.4Å; L32-Y35 PolarHBondContact O-N 3.47Å; L32-T36 HydrophobicContact CD1-CG2 3.84Å; L32-T36 HydrophobicContact CG-CG2 4.39Å; L32-T36 WeakPolarHBondContact O-CB 3.29Å; L32-T36 WeakPolarHBondContact O-CG2 3.36Å; L32-T36 PolarHBondContact O-N 2.54Å; L32-T36 PolarHBondContact O-OG1 3Å; L32-I45 HydrophobicContact CD1-CD1 4.4Å; L32-I45 HydrophobicContact CD1-CG1 4.46Å
33E98.2Very high97.5Very high104 Ų10448.7 Ų48.749%0.48626%0.264SS..Hα-helixtrans-56.5-42.2177.5-75.8173.2173.900112.4K29 I31 A37K29-E33 WeakPolarHBondContact CE-OE1 3.3Å; K29-E33 HydrophobicContact CG-CG 4.42Å; K29-E33 IonicContact NZ-OE1 3.64Å; K29-E33 WeakPolarHBondContact O-CB 3.44Å; K29-E33 VanDerWaalsContact O-CG 3.31Å; K29-E33 WeakPolarHBondContact O-CG 3.19Å; K29-E33 PolarHBondContact O-N 3.48Å; I31-E33 PolarHBondContact O-N 2.98Å; E33-A37 PolarHBondContact O-N 2.6Å
34A98.3Very high97.5Very high6 Ų649 Ų495%0.0527%0.265CS..Hα-helixtrans-62.3-54.1177.300000111.8R30 I31 L32 T36 A37 R40 I77R30-A34 PolarHBondContact O-N 3Å; R30-A34 VanDerWaalsContact O-N 3.09Å; I31-A34 PolarHBondContact O-N 3.36Å; L32-A34 VanDerWaalsContact C-N 3.31Å; L32-A34 PolarHBondContact O-N 3.4Å; A34-T36 VanDerWaalsContact C-N 3.26Å; A34-T36 PolarHBondContact O-N 2.96Å; A34-A37 VanDerWaalsContact O-CB 3.32Å; A34-A37 WeakPolarHBondContact O-CB 3.35Å; A34-A37 PolarHBondContact O-N 3.39Å; A34-R40 VanDerWaalsContact O-CD 3.23Å; A34-R40 WeakPolarHBondContact O-CD 3.35Å; A34-R40 VanDerWaalsContact O-CZ 3.29Å; A34-R40 PolarHBondContact O-NE 3.29Å; A34-R40 VanDerWaalsContact O-NE 3.16Å; A34-R40 PolarHBondContact O-NH1 2.8Å; A34-I77 HydrophobicContact CB-CG1 4.04Å; A34-I77 WeakPolarHBondContact CB-O 3.2Å
35Y98.2Very high97.6Very high1 Ų148 Ų480%0.00426%0.261CS..Hα-helixtrans-81.4-2.2-172.7-67.6-67.9000113.9I31 L32 N44 I45 I48 F73 D76 I77I31-Y35 HydrophobicContact CG2-CD2 3.79Å; I31-Y35 HydrophobicContact CG2-CE2 4.02Å; I31-Y35 WeakPolarHBondContact O-CD2 3.41Å; I31-Y35 PolarHBondContact O-N 2.99Å; L32-Y35 PolarHBondContact O-N 3.47Å; Y35-N44 CarbonylContact O-C 3.47Å; Y35-N44 WeakPolarHBondContact O-CA 3.4Å; Y35-N44 VanDerWaalsContact O-CB 3.31Å; Y35-N44 WeakPolarHBondContact O-CB 3.45Å; Y35-I45 PolarHBondContact O-N 2.84Å; Y35-I48 HydrophobicContact CD1-CD1 4.2Å; Y35-I48 HydrophobicContact CD1-CG1 3.74Å; Y35-I48 HydrophobicContact CD2-CG1 4.18Å; Y35-I48 HydrophobicContact CE1-CD1 3.65Å; Y35-I48 HydrophobicContact CE1-CG1 3.7Å; Y35-I48 HydrophobicContact CE2-CD1 4.42Å; Y35-I48 HydrophobicContact CE2-CG1 4.16Å; Y35-I48 HydrophobicContact CG-CG1 3.99Å; Y35-F73 WeakPolarHBondContact CE2-O 3.42Å; Y35-F73 PolarHBondContact OH-O 3.43Å; Y35-D76 HydrophobicContact CE1-CB 4.14Å; Y35-D76 PolarHBondContact OH-N 3.12Å; Y35-I77 PolarHBondContact OH-N 3.48Å
36T97.6Very high97.6Very high75 Ų7548 Ų4846%0.4626%0.255SS..THydrogen-bonded Turntrans-110.99.1168.864.80000113.2L32 A34 I45L32-T36 HydrophobicContact CD1-CG2 3.84Å; L32-T36 HydrophobicContact CG-CG2 4.39Å; L32-T36 WeakPolarHBondContact O-CB 3.29Å; L32-T36 WeakPolarHBondContact O-CG2 3.36Å; L32-T36 PolarHBondContact O-N 2.54Å; L32-T36 PolarHBondContact O-OG1 3Å; A34-T36 VanDerWaalsContact C-N 3.26Å; A34-T36 PolarHBondContact O-N 2.96Å; T36-I45 HydrophobicContact CG2-CB 4.28Å; T36-I45 HydrophobicContact CG2-CG2 4.12Å
37A97.6Very high97.5Very high24 Ų2446.1 Ų46.120%0.19824%0.236CC..  trans-59.3140.7176.900000111.1E33 A34 N39 R40E33-A37 PolarHBondContact O-N 2.6Å; A34-A37 VanDerWaalsContact O-CB 3.32Å; A34-A37 WeakPolarHBondContact O-CB 3.35Å; A34-A37 PolarHBondContact O-N 3.39Å; A37-N39 PolarHBondContact O-N 3.03Å; A37-N39 VanDerWaalsContact O-N 3.15Å; A37-R40 HydrophobicContact CB-CG 4.17Å; A37-R40 PolarHBondContact O-N 2.73Å
38P94.8Very high97.5Very high122 Ų12245.3 Ų45.379%0.79223%0.234SC*.THydrogen-bonded Turntrans-65.9-22.4-167.724.8-35.2000114.6
39N94.3Very high97.5Very high91 Ų9146.8 Ų46.849%0.48724%0.241SC..THydrogen-bonded Turntrans-86.9-3.317765.3-32.9000113.4A37 H41A37-N39 PolarHBondContact O-N 3.03Å; A37-N39 VanDerWaalsContact O-N 3.15Å; N39-H41 PolarHBondContact O-N 3.09Å
40R96.9Very high97.5Very high20 Ų2043.6 Ų43.68%0.07523%0.225CC..  trans-96.183.2178.3-61.1-159.7-170.9-175.2-3.8110.4A34 A37 H43 N44 D76 I77 Y79 E157A34-R40 VanDerWaalsContact O-CD 3.23Å; A34-R40 WeakPolarHBondContact O-CD 3.35Å; A34-R40 VanDerWaalsContact O-CZ 3.29Å; A34-R40 PolarHBondContact O-NE 3.29Å; A34-R40 VanDerWaalsContact O-NE 3.16Å; A34-R40 PolarHBondContact O-NH1 2.8Å; A37-R40 HydrophobicContact CB-CG 4.17Å; A37-R40 PolarHBondContact O-N 2.73Å; R40-H43 WeakPolarHBondContact CB-O 3.44Å; R40-H43 WeakPolarHBondContact CD-O 3.35Å; R40-N44 HydrophobicContact CB-CB 4.39Å; R40-N44 WeakPolarHBondContact O-CB 3.44Å; R40-D76 PolarHBondContact NH1-O 3.48Å; R40-D76 PolarHBondContact NH2-O 3.34Å; R40-I77 PolarHBondContact NH2-O 2.58Å; R40-Y79 HydrophobicContact CG-CD1 4.25Å; R40-E157 WeakPolarHBondContact CA-OE1 3.24Å
41H97.4Very high97.4Very high70 Ų7040.5 Ų40.532%0.32421%0.214SC..SBendtrans-79-33.1179.3-64-77.3000112.5N39 N44 N153 L156 E157N39-H41 PolarHBondContact O-N 3.09Å; H41-N44 PolarHBondContact O-ND2 3.4Å; H41-N153 HydrophobicContact CB-CB 4.07Å; H41-N153 WeakPolarHBondContact CB-O 3.32Å; H41-N153 WeakPolarHBondContact O-CB 3.11Å; H41-N153 PolarHBondContact O-ND2 2.98Å; H41-L156 HydrophobicContact CB-CB 4.08Å; H41-L156 HydrophobicContact CB-CD1 4.27Å; H41-L156 VanDerWaalsContact CD2-CB 3.44Å; H41-L156 WeakPolarHBondContact CD2-CB 3.12Å; H41-E157 HydrophobicContact CB-CG 4.07Å; H41-E157 PolarHBondContact N-OE1 3.25Å
42F97.5Very high97.4Very high25 Ų2540.7 Ų40.711%0.1122%0.215CC..SBendtrans-109.5-49177.5173.5-117.6000111.9N44 L47 V139 Y150 N153 L154 E157F42-N44 PolarHBondContact O-N 2.82Å; F42-L47 HydrophobicContact CD1-CD2 4.46Å; F42-L47 HydrophobicContact CE1-CD2 3.92Å; F42-L47 HydrophobicContact CE2-CD1 3.85Å; F42-L47 HydrophobicContact CE2-CD2 3.99Å; F42-L47 HydrophobicContact CE2-CG 4.44Å; F42-L47 HydrophobicContact CZ-CD1 3.91Å; F42-L47 HydrophobicContact CZ-CD2 3.65Å; F42-L47 HydrophobicContact CZ-CG 4.42Å; F42-L47 WeakPolarHBondContact O-CB 3.31Å; F42-V139 HydrophobicContact CE2-CB 4.49Å; F42-V139 HydrophobicContact CE2-CG1 4.31Å; F42-V139 HydrophobicContact CE2-CG2 4.03Å; F42-V139 HydrophobicContact CZ-CB 4.5Å; F42-V139 HydrophobicContact CZ-CG1 3.92Å; F42-V139 HydrophobicContact CZ-CG2 4.48Å; F42-Y150 HydrophobicContact CD1-CD2 4.44Å; F42-Y150 HydrophobicContact CD1-CE2 4.26Å; F42-Y150 AromaticContact CD2-CD2 3.7Å; F42-Y150 HydrophobicContact CD2-CD2 3.7Å; F42-Y150 HydrophobicContact CD2-CE2 4.3Å; F42-Y150 HydrophobicContact CE1-CD2 4.26Å; F42-Y150 AromaticContact CE1-CE2 3.92Å; F42-Y150 HydrophobicContact CE1-CE2 3.92Å; F42-Y150 AromaticContact CE2-CD2 3.48Å; F42-Y150 HydrophobicContact CE2-CD2 3.48Å; F42-Y150 VanDerWaalsContact CE2-CD2 3.48Å; F42-Y150 AromaticContact CE2-CE2 3.96Å; F42-Y150 HydrophobicContact CE2-CE2 3.96Å; F42-Y150 HydrophobicContact CG-CD2 4.2Å; F42-Y150 HydrophobicContact CG-CE2 4.46Å; F42-Y150 AromaticContact CZ-CD2 3.8Å; F42-Y150 HydrophobicContact CZ-CD2 3.8Å; F42-Y150 AromaticContact CZ-CE2 3.77Å; F42-Y150 HydrophobicContact CZ-CE2 3.77Å; F42-N153 HydrophobicContact CB-CB 3.95Å; F42-L154 HydrophobicContact CD1-CD1 4.34Å; F42-E157 WeakPolarHBondContact CA-OE1 3.35Å; F42-E157 PolarHBondContact N-OE1 3.03Å
43H97.4Very high97.4Very high26 Ų2642.6 Ų42.612%0.1223%0.225CC..SBendtrans-79.159.1-177.1-63.191.1000112.2R40 D76 Y79 E157R40-H43 WeakPolarHBondContact CB-O 3.44Å; R40-H43 WeakPolarHBondContact CD-O 3.35Å; H43-D76 IonicContact CD2-OD2 3.44Å; H43-D76 PolarHBondContact CD2-OD2 3.27Å; H43-Y79 HydrophobicContact CB-CD1 4.07Å; H43-Y79 HydrophobicContact CB-CD2 4.4Å; H43-Y79 HydrophobicContact CB-CE1 4.07Å; H43-Y79 HydrophobicContact CB-CE2 4.43Å; H43-Y79 HydrophobicContact CB-CG 4.24Å; H43-Y79 AromaticContact CD2-CE2 3.98Å; H43-Y79 AromaticContact CE1-CE2 3.48Å; H43-Y79 VanDerWaalsContact CE1-CE2 3.48Å; H43-Y79 WeakPolarHBondContact CE1-CE2 3.47Å; H43-Y79 AromaticContact CE1-CZ 3.37Å; H43-Y79 PolarHBondContact CE1-OH 2.84Å; H43-Y79 AromaticContact CG-CE1 3.98Å; H43-Y79 AromaticContact CG-CE2 3.73Å; H43-Y79 AromaticContact CG-CZ 3.68Å; H43-Y79 AromaticContact ND1-CE1 3.55Å; H43-Y79 AromaticContact ND1-CE2 3.45Å; H43-Y79 WeakPolarHBondContact ND1-CE2 3.31Å; H43-Y79 AromaticContact ND1-CZ 3.05Å; H43-Y79 PolarHBondContact ND1-OH 3.45Å; H43-Y79 AromaticContact NE2-CE2 3.86Å; H43-E157 IonicContact CE1-OE2 2.93Å; H43-E157 PolarHBondContact CE1-OE2 2.86Å; H43-E157 IonicContact CG-OE2 2.86Å; H43-E157 PolarHBondContact N-OE1 3.26Å; H43-E157 IonicContact ND1-OE1 2.65Å; H43-E157 IonicContact ND1-OE2 3.88Å; H43-E157 PolarHBondContact ND1-OE2 2.69Å
44N97.2Very high97.4Very high27 Ų2738.5 Ų38.514%0.14421%0.206CC..SBendtrans-124.2-177-167.968.731.2000113.5Y35 R40 H41 F42 L46 L47 I48Y35-N44 CarbonylContact O-C 3.47Å; Y35-N44 WeakPolarHBondContact O-CA 3.4Å; Y35-N44 VanDerWaalsContact O-CB 3.31Å; Y35-N44 WeakPolarHBondContact O-CB 3.45Å; R40-N44 HydrophobicContact CB-CB 4.39Å; R40-N44 WeakPolarHBondContact O-CB 3.44Å; H41-N44 PolarHBondContact O-ND2 3.4Å; F42-N44 PolarHBondContact O-N 2.82Å; N44-L46 PolarHBondContact O-N 3.43Å; N44-L46 WeakPolarHBondContact OD1-CA 3.33Å; N44-L46 VanDerWaalsContact OD1-CB 3.32Å; N44-L46 WeakPolarHBondContact OD1-CB 3.25Å; N44-L46 PolarHBondContact OD1-N 3.17Å; N44-L47 WeakPolarHBondContact O-CB 3.44Å; N44-L47 PolarHBondContact O-N 3.34Å; N44-L47 PolarHBondContact OD1-N 2.74Å; N44-I48 PolarHBondContact O-N 2.94Å
45I97.9Very high97.5Very high2 Ų238.8 Ų38.81%0.0121%0.206CC..Hα-helixtrans-62.7-27.6-174.5-163.465.3000112.8A5 L8 W28 L32 Y35 T36 H49A5-I45 HydrophobicContact CB-CG1 4.29Å; L8-I45 HydrophobicContact CD1-CD1 3.38Å; L8-I45 HydrophobicContact CD1-CG1 3.75Å; W28-I45 HydrophobicContact CH2-CD1 4.4Å; L32-I45 HydrophobicContact CD1-CD1 4.4Å; L32-I45 HydrophobicContact CD1-CG1 4.46Å; Y35-I45 PolarHBondContact O-N 2.84Å; T36-I45 HydrophobicContact CG2-CB 4.28Å; T36-I45 HydrophobicContact CG2-CG2 4.12Å; I45-H49 WeakPolarHBondContact O-CB 3.49Å; I45-H49 PolarHBondContact O-N 2.91Å
46L97.4Very high97.5Very high77 Ų7741.1 Ų41.140%0.40322%0.218SC..Hα-helixtrans-72-36.7176.7-59.5176.8000111.1M1 A4 N44 H49 R50M1-L46 HydrophobicContact CG-CD1 4.14Å; M1-L46 HydrophobicContact CG-CD2 4.07Å; M1-L46 HydrophobicContact CG-CG 4.18Å; A4-L46 HydrophobicContact CB-CD2 3.95Å; N44-L46 PolarHBondContact O-N 3.43Å; N44-L46 WeakPolarHBondContact OD1-CA 3.33Å; N44-L46 VanDerWaalsContact OD1-CB 3.32Å; N44-L46 WeakPolarHBondContact OD1-CB 3.25Å; N44-L46 PolarHBondContact OD1-N 3.17Å; L46-H49 PolarHBondContact O-N 2.83Å; L46-R50 WeakPolarHBondContact O-CB 3.14Å; L46-R50 PolarHBondContact O-N 3.3Å
47L96.8Very high97.5Very high17 Ų1743.4 Ų43.49%0.08922%0.219CC..Hα-helixtrans-63.9-45174179.762.2000111.1F42 N44 H49 R50 T51F42-L47 HydrophobicContact CD1-CD2 4.46Å; F42-L47 HydrophobicContact CE1-CD2 3.92Å; F42-L47 HydrophobicContact CE2-CD1 3.85Å; F42-L47 HydrophobicContact CE2-CD2 3.99Å; F42-L47 HydrophobicContact CE2-CG 4.44Å; F42-L47 HydrophobicContact CZ-CD1 3.91Å; F42-L47 HydrophobicContact CZ-CD2 3.65Å; F42-L47 HydrophobicContact CZ-CG 4.42Å; F42-L47 WeakPolarHBondContact O-CB 3.31Å; N44-L47 WeakPolarHBondContact O-CB 3.44Å; N44-L47 PolarHBondContact O-N 3.34Å; N44-L47 PolarHBondContact OD1-N 2.74Å; L47-H49 VanDerWaalsContact C-N 3.34Å; L47-H49 PolarHBondContact O-N 3.28Å; L47-R50 PolarHBondContact O-N 2.82Å; L47-T51 WeakPolarHBondContact O-CB 3.01Å; L47-T51 PolarHBondContact O-N 2.73Å; L47-T51 PolarHBondContact O-OG1 3.01Å
48I98Very high97.5Very high1 Ų142.3 Ų42.31%0.00521%0.209CC..Hα-helixtrans-59.4-46.1176-60.7-53.1000110.9L8 Y35 N44 T51 F52 I72 F73L8-I48 HydrophobicContact CD1-CB 4.11Å; L8-I48 HydrophobicContact CD1-CG2 3.83Å; L8-I48 HydrophobicContact CD2-CG2 3.89Å; Y35-I48 HydrophobicContact CD1-CD1 4.2Å; Y35-I48 HydrophobicContact CD1-CG1 3.74Å; Y35-I48 HydrophobicContact CD2-CG1 4.18Å; Y35-I48 HydrophobicContact CE1-CD1 3.65Å; Y35-I48 HydrophobicContact CE1-CG1 3.7Å; Y35-I48 HydrophobicContact CE2-CD1 4.42Å; Y35-I48 HydrophobicContact CE2-CG1 4.16Å; Y35-I48 HydrophobicContact CG-CG1 3.99Å; N44-I48 PolarHBondContact O-N 2.94Å; I48-T51 WeakPolarHBondContact O-CB 3.44Å; I48-T51 PolarHBondContact O-N 3.15Å; I48-F52 HydrophobicContact CG2-CD2 4Å; I48-F52 HydrophobicContact CG2-CE2 4.02Å; I48-F52 WeakPolarHBondContact O-CD2 3.23Å; I48-F52 PolarHBondContact O-N 3.17Å; I48-I72 WeakPolarHBondContact CD1-O 3.31Å; I48-I72 HydrophobicContact CG2-CG2 4.11Å; I48-F73 HydrophobicContact CG2-CD1 4.33Å; I48-F73 HydrophobicContact CG2-CE1 4.42Å
49H98.3Very high97.6Very high47 Ų4740 Ų4022%0.21819%0.187CC..Hα-helixtrans-60.1-48.7176.7178.7-104.4000112.1A4 L8 I45 L46 L47 T51 F52 L53A4-H49 HydrophobicContact CB-CB 3.83Å; L8-H49 HydrophobicContact CD1-CB 3.95Å; L8-H49 HydrophobicContact CG-CB 4.22Å; I45-H49 WeakPolarHBondContact O-CB 3.49Å; I45-H49 PolarHBondContact O-N 2.91Å; L46-H49 PolarHBondContact O-N 2.83Å; L47-H49 VanDerWaalsContact C-N 3.34Å; L47-H49 PolarHBondContact O-N 3.28Å; H49-T51 VanDerWaalsContact C-N 3.28Å; H49-T51 PolarHBondContact O-N 2.82Å; H49-F52 PolarHBondContact O-N 2.78Å; H49-F52 VanDerWaalsContact O-N 3.13Å; H49-L53 WeakPolarHBondContact O-CG 3.01Å; H49-L53 PolarHBondContact O-N 3.03Å
50R97.3Very high97.7Very high61 Ų6142 Ų4223%0.2319%0.193CC..Hα-helixtrans-57.4-42175.7178-176173139.212.9111.9L46 L47 F52 L53 L54 E146L46-R50 WeakPolarHBondContact O-CB 3.14Å; L46-R50 PolarHBondContact O-N 3.3Å; L47-R50 PolarHBondContact O-N 2.82Å; R50-F52 VanDerWaalsContact C-N 3.32Å; R50-F52 PolarHBondContact O-N 3.2Å; R50-L53 WeakPolarHBondContact O-CB 3.39Å; R50-L53 PolarHBondContact O-N 2.99Å; R50-L54 PolarHBondContact O-N 3.49Å; R50-E146 IonicContact NH1-OE1 3.07Å
51T98.2Very high97.7Very high2 Ų244.4 Ų44.41%0.01221%0.207CC..Hα-helixtrans-62.1-41.9177.9-56.20000110.6L47 I48 H49 L53 L54 Y55 I72 L135L47-T51 WeakPolarHBondContact O-CB 3.01Å; L47-T51 PolarHBondContact O-N 2.73Å; L47-T51 PolarHBondContact O-OG1 3.01Å; I48-T51 WeakPolarHBondContact O-CB 3.44Å; I48-T51 PolarHBondContact O-N 3.15Å; H49-T51 VanDerWaalsContact C-N 3.28Å; H49-T51 PolarHBondContact O-N 2.82Å; T51-L53 PolarHBondContact O-N 3.45Å; T51-L54 PolarHBondContact O-N 2.91Å; T51-Y55 WeakPolarHBondContact O-CB 3.34Å; T51-Y55 PolarHBondContact O-N 3.23Å; T51-I72 HydrophobicContact CG2-CD1 3.99Å; T51-I72 HydrophobicContact CG2-CG1 3.92Å; T51-I72 HydrophobicContact CG2-CG2 3.96Å; T51-L135 HydrophobicContact CG2-CB 4.07Å; T51-L135 HydrophobicContact CG2-CD2 4.21Å
52F98.6Very high97.6Very high3 Ų341.7 Ų41.71%0.01320%0.195CC..Hα-helixtrans-65.5-34.3175.2-88.5-63.8000114.1L8 R11 I48 H49 R50 L54 Y55 D56 A69 I72 F73L8-F52 HydrophobicContact CD2-CB 4.48Å; L8-F52 HydrophobicContact CD2-CD2 3.36Å; L8-F52 HydrophobicContact CD2-CE2 3.91Å; L8-F52 HydrophobicContact CD2-CG 4.23Å; R11-F52 HydrophobicContact CG-CE1 4.47Å; I48-F52 HydrophobicContact CG2-CD2 4Å; I48-F52 HydrophobicContact CG2-CE2 4.02Å; I48-F52 WeakPolarHBondContact O-CD2 3.23Å; I48-F52 PolarHBondContact O-N 3.17Å; H49-F52 PolarHBondContact O-N 2.78Å; H49-F52 VanDerWaalsContact O-N 3.13Å; R50-F52 VanDerWaalsContact C-N 3.32Å; R50-F52 PolarHBondContact O-N 3.2Å; F52-L54 VanDerWaalsContact C-N 3.27Å; F52-L54 PolarHBondContact O-N 2.93Å; F52-Y55 AromaticContact CD1-CD1 3.83Å; F52-Y55 HydrophobicContact CD1-CD1 3.83Å; F52-Y55 HydrophobicContact CD1-CE1 4.49Å; F52-Y55 HydrophobicContact CD1-CG 4.19Å; F52-Y55 HydrophobicContact CE1-CD1 4.27Å; F52-Y55 WeakPolarHBondContact O-CB 3.47Å; F52-Y55 PolarHBondContact O-N 3.47Å; F52-D56 PolarHBondContact O-N 3.39Å; F52-A69 HydrophobicContact CE1-CB 4Å; F52-A69 HydrophobicContact CZ-CB 4.37Å; F52-A69 WeakPolarHBondContact CZ-O 3.49Å; F52-I72 HydrophobicContact CD1-CD1 4.13Å; F52-I72 HydrophobicContact CD2-CG2 3.71Å; F52-I72 HydrophobicContact CE1-CB 4.36Å; F52-I72 HydrophobicContact CE1-CD1 3.91Å; F52-I72 HydrophobicContact CE1-CG2 4.36Å; F52-I72 HydrophobicContact CE2-CB 4.02Å; F52-I72 HydrophobicContact CE2-CG2 3.38Å; F52-I72 HydrophobicContact CG-CG2 4.38Å; F52-I72 HydrophobicContact CZ-CB 3.85Å; F52-I72 HydrophobicContact CZ-CD1 4.28Å; F52-I72 HydrophobicContact CZ-CG2 3.75Å; F52-F73 HydrophobicContact CD2-CZ 4.45Å; F52-F73 HydrophobicContact CE1-CE2 4.45Å; F52-F73 HydrophobicContact CE2-CD1 4.16Å; F52-F73 AromaticContact CE2-CD2 3.87Å; F52-F73 HydrophobicContact CE2-CD2 3.87Å; F52-F73 AromaticContact CE2-CE1 3.84Å; F52-F73 HydrophobicContact CE2-CE1 3.84Å; F52-F73 AromaticContact CE2-CE2 3.53Å; F52-F73 HydrophobicContact CE2-CE2 3.53Å; F52-F73 HydrophobicContact CE2-CG 4.17Å; F52-F73 AromaticContact CE2-CZ 3.51Å; F52-F73 HydrophobicContact CE2-CZ 3.51Å; F52-F73 AromaticContact CZ-CD2 3.63Å; F52-F73 HydrophobicContact CZ-CD2 3.63Å; F52-F73 HydrophobicContact CZ-CE1 4.49Å; F52-F73 AromaticContact CZ-CE2 3.35Å; F52-F73 HydrophobicContact CZ-CE2 3.35Å; F52-F73 HydrophobicContact CZ-CG 4.32Å; F52-F73 AromaticContact CZ-CZ 3.84Å; F52-F73 HydrophobicContact CZ-CZ 3.84Å
53L98.2Very high97.5Very high94 Ų9445.5 Ų45.549%0.49222%0.22SC..Hα-helixtrans-62.4-35.6173.7-64.7177.8000112H49 R50 T51 R57H49-L53 WeakPolarHBondContact O-CG 3.01Å; H49-L53 PolarHBondContact O-N 3.03Å; R50-L53 WeakPolarHBondContact O-CB 3.39Å; R50-L53 PolarHBondContact O-N 2.99Å; T51-L53 PolarHBondContact O-N 3.45Å; L53-R57 WeakPolarHBondContact O-CG 2.89Å
54L98.3Very high97.3Very high17 Ų1745.8 Ų45.89%0.08922%0.223CC..Hα-helixtrans-77.1-41.3174.9-66.6176.1000111.9R50 T51 F52 D56 R57 C58 L135 A138 F189 F193R50-L54 PolarHBondContact O-N 3.49Å; T51-L54 PolarHBondContact O-N 2.91Å; F52-L54 VanDerWaalsContact C-N 3.27Å; F52-L54 PolarHBondContact O-N 2.93Å; L54-D56 VanDerWaalsContact C-N 3.26Å; L54-D56 PolarHBondContact O-N 3.24Å; L54-R57 WeakPolarHBondContact O-CA 3.38Å; L54-R57 WeakPolarHBondContact O-CB 3.45Å; L54-R57 PolarHBondContact O-N 3.14Å; L54-C58 PolarHBondContact O-N 2.87Å; L54-L135 HydrophobicContact CB-CD2 3.47Å; L54-L135 VanDerWaalsContact CB-CD2 3.47Å; L54-A138 HydrophobicContact CD1-CB 3.4Å; L54-F189 HydrophobicContact CB-CZ 4.46Å; L54-F189 HydrophobicContact CD1-CE1 4.36Å; L54-F193 HydrophobicContact CD1-CZ 4.28Å; L54-F193 HydrophobicContact CD2-CE2 4.24Å; L54-F193 HydrophobicContact CD2-CZ 3.71Å
55Y98.5Very high97.3Very high13 Ų1348 Ų485%0.05123%0.232CC..Hα-helixtrans-53.2-44.6173.3166-92000111.3T51 F52 R57 C58 K59 L62 Q65 L68 I72T51-Y55 WeakPolarHBondContact O-CB 3.34Å; T51-Y55 PolarHBondContact O-N 3.23Å; F52-Y55 AromaticContact CD1-CD1 3.83Å; F52-Y55 HydrophobicContact CD1-CD1 3.83Å; F52-Y55 HydrophobicContact CD1-CE1 4.49Å; F52-Y55 HydrophobicContact CD1-CG 4.19Å; F52-Y55 HydrophobicContact CE1-CD1 4.27Å; F52-Y55 WeakPolarHBondContact O-CB 3.47Å; F52-Y55 PolarHBondContact O-N 3.47Å; Y55-R57 PolarHBondContact O-N 3Å; Y55-R57 VanDerWaalsContact O-N 3.12Å; Y55-C58 CarbonylContact O-C 3.58Å; Y55-C58 PolarHBondContact O-N 3.29Å; Y55-K59 HydrophobicContact CD1-CB 4.34Å; Y55-K59 HydrophobicContact CD1-CD 4.49Å; Y55-K59 HydrophobicContact CD2-CB 4.47Å; Y55-K59 HydrophobicContact CE1-CB 3.88Å; Y55-K59 HydrophobicContact CE1-CD 3.9Å; Y55-K59 HydrophobicContact CE2-CB 4.03Å; Y55-K59 WeakPolarHBondContact O-CB 3.39Å; Y55-K59 PolarHBondContact O-N 2.86Å; Y55-L62 HydrophobicContact CD2-CD1 3.88Å; Y55-L62 HydrophobicContact CE2-CD1 3.4Å; Y55-Q65 WeakPolarHBondContact OH-CA 3.48Å; Y55-Q65 VanDerWaalsContact OH-CB 3.31Å; Y55-Q65 WeakPolarHBondContact OH-CB 3.45Å; Y55-Q65 PolarHBondContact OH-O 2.78Å; Y55-L68 HydrophobicContact CD2-CD2 3.85Å; Y55-L68 HydrophobicContact CE2-CB 4.34Å; Y55-L68 HydrophobicContact CE2-CD2 4.21Å; Y55-I72 HydrophobicContact CD2-CD1 3.93Å; Y55-I72 HydrophobicContact CG-CD1 4.03Å
56D98.5Very high97.2Very high49 Ų4955.8 Ų55.826%0.26226%0.263SS..Hα-helixtrans-62-24.3179.1-78.1-33.7000113.4R11 F52 L54 K59R11-D56 IonicContact CZ-OD1 2.68Å; R11-D56 IonicContact CZ-OD2 2.95Å; R11-D56 IonicContact NH1-OD1 2.7Å; R11-D56 PolarHBondContact NH1-OD1 3.24Å; R11-D56 IonicContact NH1-OD2 2.7Å; R11-D56 PolarHBondContact NH1-OD2 3.4Å; R11-D56 IonicContact NH2-OD1 3.84Å; R11-D56 IonicContact NH2-OD2 3.02Å; R11-D56 PolarHBondContact NH2-OD2 3.25Å; F52-D56 PolarHBondContact O-N 3.39Å; L54-D56 VanDerWaalsContact C-N 3.26Å; L54-D56 PolarHBondContact O-N 3.24Å; D56-K59 IonicContact OD1-NZ 3.09Å; D56-K59 PolarHBondContact OD1-NZ 2.72Å
57R98.2Very high97.1Very high124 Ų12452.2 Ų52.247%0.46824%0.244SC..Hα-helixtrans-80.7-23.5176.1-60.117360.7-177.4-2.4113.1L53 L54 Y55 H60 F188 L192L53-R57 WeakPolarHBondContact O-CG 2.89Å; L54-R57 WeakPolarHBondContact O-CA 3.38Å; L54-R57 WeakPolarHBondContact O-CB 3.45Å; L54-R57 PolarHBondContact O-N 3.14Å; Y55-R57 PolarHBondContact O-N 3Å; Y55-R57 VanDerWaalsContact O-N 3.12Å; R57-H60 PolarHBondContact O-CE1 3.01Å; R57-F188 HydrophobicContact CB-CZ 3.86Å; R57-L192 VanDerWaalsContact NH2-CD2 3.34Å
58C97.5Very high97.1Very high0 Ų051.4 Ų51.40%024%0.24CC..Hα-helixtrans-116.6-6-177.271.10000114.6L54 Y55 H60 L61 Y131 F188 F189L54-C58 PolarHBondContact O-N 2.87Å; Y55-C58 CarbonylContact O-C 3.58Å; Y55-C58 PolarHBondContact O-N 3.29Å; C58-H60 PolarHBondContact O-N 2.91Å; C58-L61 HydrophobicContact CB-CD1 4.43Å; C58-L61 VanDerWaalsContact O-CB 3.28Å; C58-L61 WeakPolarHBondContact O-CB 3.34Å; C58-L61 PolarHBondContact O-N 3.09Å; C58-Y131 HydrophobicContact CB-CD1 4.14Å; C58-Y131 HydrophobicContact CB-CE1 4.08Å; C58-F188 HydrophobicContact CB-CD1 3.95Å; C58-F188 HydrophobicContact CB-CE1 3.7Å; C58-F188 HydrophobicContact CB-CZ 4.06Å; C58-F189 HydrophobicContact CB-CE2 4.35Å
59K97.4Very high97.1Very high73 Ų7351.6 Ų51.632%0.31724%0.242SC..G310 helixtrans-56.4-30.3-173.464.9-177.8171.4-163.60114.7Y55 D56 L61 L62 Q65Y55-K59 HydrophobicContact CD1-CB 4.34Å; Y55-K59 HydrophobicContact CD1-CD 4.49Å; Y55-K59 HydrophobicContact CD2-CB 4.47Å; Y55-K59 HydrophobicContact CE1-CB 3.88Å; Y55-K59 HydrophobicContact CE1-CD 3.9Å; Y55-K59 HydrophobicContact CE2-CB 4.03Å; Y55-K59 WeakPolarHBondContact O-CB 3.39Å; Y55-K59 PolarHBondContact O-N 2.86Å; D56-K59 IonicContact OD1-NZ 3.09Å; D56-K59 PolarHBondContact OD1-NZ 2.72Å; K59-L61 PolarHBondContact O-N 2.97Å; K59-L62 HydrophobicContact CB-CD1 4.3Å; K59-L62 WeakPolarHBondContact O-CB 3.41Å; K59-L62 PolarHBondContact O-N 3.13Å; K59-L62 VanDerWaalsContact O-N 3.15Å; K59-Q65 HydrophobicContact CB-CG 4.16Å; K59-Q65 WeakPolarHBondContact O-CG 3.46Å; K59-Q65 PolarHBondContact O-NE2 2.92Å; K59-Q65 VanDerWaalsContact O-NE2 3.09Å
60H96.8Very high97.1Very high133 Ų13349.9 Ų49.962%0.61623%0.234SC*.G310 helixtrans-68.9-12.1176.665.4-83.7000113.7R57 C58R57-H60 PolarHBondContact O-CE1 3.01Å; C58-H60 PolarHBondContact O-N 2.91Å
61L96.2Very high97.1Very high72 Ų7247 Ų4738%0.37722%0.223SC..G310 helixtrans-94.9-9.3175.5-53.4173.4000112.4C58 K59 Y131 F188C58-L61 HydrophobicContact CB-CD1 4.43Å; C58-L61 VanDerWaalsContact O-CB 3.28Å; C58-L61 WeakPolarHBondContact O-CB 3.34Å; C58-L61 PolarHBondContact O-N 3.09Å; K59-L61 PolarHBondContact O-N 2.97Å; L61-Y131 HydrophobicContact CB-CE1 4.17Å; L61-Y131 HydrophobicContact CB-CE2 4.39Å; L61-Y131 WeakPolarHBondContact CB-OH 3.34Å; L61-Y131 HydrophobicContact CD1-CE1 4.01Å; L61-Y131 VanDerWaalsContact CD1-OH 3.31Å; L61-Y131 WeakPolarHBondContact CD1-OH 3.2Å; L61-F188 HydrophobicContact CD1-CB 4.15Å; L61-F188 HydrophobicContact CD1-CD2 3.88Å; L61-F188 HydrophobicContact CD1-CG 4.1Å
62L95.1Very high97.1Very high13 Ų1346.9 Ų46.97%0.06822%0.222CC..  trans-85.3145.8-176.4-55.6176.6000111.6Y55 K59 Q65 L68 D128 Y131Y55-L62 HydrophobicContact CD2-CD1 3.88Å; Y55-L62 HydrophobicContact CE2-CD1 3.4Å; K59-L62 HydrophobicContact CB-CD1 4.3Å; K59-L62 WeakPolarHBondContact O-CB 3.41Å; K59-L62 PolarHBondContact O-N 3.13Å; K59-L62 VanDerWaalsContact O-N 3.15Å; L62-Q65 HydrophobicContact CB-CG 4.02Å; L62-Q65 HydrophobicContact CD1-CG 4.37Å; L62-L68 HydrophobicContact CD1-CB 4.1Å; L62-L68 HydrophobicContact CD1-CD1 3.59Å; L62-L68 HydrophobicContact CD1-CG 4.34Å; L62-L68 HydrophobicContact CD2-CD1 3.55Å; L62-L68 HydrophobicContact CG-CD1 4.2Å; L62-D128 VanDerWaalsContact CA-OD1 3.31Å; L62-D128 WeakPolarHBondContact CA-OD1 3.3Å; L62-Y131 HydrophobicContact CD2-CD1 4.06Å; L62-Y131 HydrophobicContact CD2-CD2 3.85Å; L62-Y131 HydrophobicContact CD2-CG 3.53Å
63T94.5Very high97.1Very high104 Ų10446.8 Ų46.864%0.63822%0.222SC*.SBendtrans-75.3-45.3173.6-58.50000110.7D128T63-D128 PolarHBondContact N-OD1 3Å; T63-D128 PolarHBondContact N-OD2 3.23Å
64N94.7Very high97.1Very high32 Ų3242.3 Ų42.317%0.17120%0.198CC..  trans-127.482.8179-167.9-17.7000111.1Y66 A67 L68 Q105 D128N64-Y66 VanDerWaalsContact C-N 3.26Å; N64-Y66 PolarHBondContact O-N 3.07Å; N64-Y66 PolarHBondContact OD1-N 2.97Å; N64-A67 HydrophobicContact CB-CB 3.96Å; N64-A67 WeakPolarHBondContact ND2-CB 3.32Å; N64-A67 PolarHBondContact O-N 3.09Å; N64-A67 WeakPolarHBondContact OD1-CB 3.27Å; N64-A67 PolarHBondContact OD1-N 2.85Å; N64-L68 PolarHBondContact O-N 3.25Å; N64-Q105 PolarHBondContact ND2-OE1 2.7Å; N64-D128 WeakPolarHBondContact CA-OD2 3.4Å; N64-D128 PolarHBondContact N-OD2 2.97Å
65Q96.1Very high97Very high75 Ų7541.5 Ų41.535%0.3519%0.194SC..Hα-helixtrans-51.4-43.3175.5-72.2-179.140.900113Y55 K59 L62 A69Y55-Q65 WeakPolarHBondContact OH-CA 3.48Å; Y55-Q65 VanDerWaalsContact OH-CB 3.31Å; Y55-Q65 WeakPolarHBondContact OH-CB 3.45Å; Y55-Q65 PolarHBondContact OH-O 2.78Å; K59-Q65 HydrophobicContact CB-CG 4.16Å; K59-Q65 WeakPolarHBondContact O-CG 3.46Å; K59-Q65 PolarHBondContact O-NE2 2.92Å; K59-Q65 VanDerWaalsContact O-NE2 3.09Å; L62-Q65 HydrophobicContact CB-CG 4.02Å; L62-Q65 HydrophobicContact CD1-CG 4.37Å; Q65-A69 WeakPolarHBondContact O-CB 3.42Å; Q65-A69 PolarHBondContact O-N 2.65Å
66Y95.7Very high96.9Very high165 Ų16541.1 Ų41.165%0.64719%0.193SC*.Hα-helixtrans-65.3-43.4-179-65.5-81.4000111.6L15 N64 L68 A69 F70L15-Y66 HydrophobicContact CD1-CD1 3.8Å; N64-Y66 VanDerWaalsContact C-N 3.26Å; N64-Y66 PolarHBondContact O-N 3.07Å; N64-Y66 PolarHBondContact OD1-N 2.97Å; Y66-L68 PolarHBondContact O-N 3.1Å; Y66-A69 PolarHBondContact O-N 3.27Å; Y66-F70 VanDerWaalsContact O-CD2 3.24Å; Y66-F70 WeakPolarHBondContact O-CD2 3.49Å; Y66-F70 PolarHBondContact O-N 3.15Å
67A96.2Very high96.9Very high2 Ų238.8 Ų38.82%0.01718%0.18CC..Hα-helixtrans-63.7-44.9-179.100000111.9N64 A69 F70 A71 I109 L112N64-A67 HydrophobicContact CB-CB 3.96Å; N64-A67 WeakPolarHBondContact ND2-CB 3.32Å; N64-A67 PolarHBondContact O-N 3.09Å; N64-A67 WeakPolarHBondContact OD1-CB 3.27Å; N64-A67 PolarHBondContact OD1-N 2.85Å; A67-A69 PolarHBondContact O-N 3.34Å; A67-F70 PolarHBondContact O-N 3.09Å; A67-A71 PolarHBondContact O-N 3.48Å; A67-I109 HydrophobicContact CB-CD1 4.29Å; A67-I109 HydrophobicContact CB-CG1 3.52Å; A67-L112 HydrophobicContact CB-CD1 4.2Å
68L96.8Very high96.9Very high0 Ų033.8 Ų33.80%016%0.164CC..Hα-helixtrans-65.2-39.9177.3-156.3167.1000111.1Y55 L62 N64 Y66 F70 A71 I72 L112 D128 F132 L135Y55-L68 HydrophobicContact CD2-CD2 3.85Å; Y55-L68 HydrophobicContact CE2-CB 4.34Å; Y55-L68 HydrophobicContact CE2-CD2 4.21Å; L62-L68 HydrophobicContact CD1-CB 4.1Å; L62-L68 HydrophobicContact CD1-CD1 3.59Å; L62-L68 HydrophobicContact CD1-CG 4.34Å; L62-L68 HydrophobicContact CD2-CD1 3.55Å; L62-L68 HydrophobicContact CG-CD1 4.2Å; N64-L68 PolarHBondContact O-N 3.25Å; Y66-L68 PolarHBondContact O-N 3.1Å; L68-F70 PolarHBondContact O-N 3.16Å; L68-A71 PolarHBondContact O-N 3.33Å; L68-I72 HydrophobicContact CD2-CD1 3.48Å; L68-I72 VanDerWaalsContact CD2-CD1 3.48Å; L68-I72 HydrophobicContact CD2-CG1 3.75Å; L68-I72 WeakPolarHBondContact O-CG1 3.44Å; L68-I72 PolarHBondContact O-N 2.94Å; L68-L112 HydrophobicContact CB-CD1 4.38Å; L68-D128 HydrophobicContact CD1-CB 4.48Å; L68-F132 HydrophobicContact CD1-CB 4.23Å; L68-F132 HydrophobicContact CD2-CD2 3.82Å; L68-F132 HydrophobicContact CG-CB 4.22Å; L68-F132 HydrophobicContact CG-CD2 4.07Å; L68-L135 HydrophobicContact CD1-CD1 4.29Å; L68-L135 HydrophobicContact CD2-CD1 3.66Å
69A98Very high96.9Very high5 Ų535.6 Ų35.64%0.04117%0.171CC..Hα-helixtrans-60.2-42174.800000112.9L15 F52 Q65 Y66 A67 I72 F73L15-A69 HydrophobicContact CD1-CB 4.05Å; L15-A69 HydrophobicContact CD2-CB 4Å; F52-A69 HydrophobicContact CE1-CB 4Å; F52-A69 HydrophobicContact CZ-CB 4.37Å; F52-A69 WeakPolarHBondContact CZ-O 3.49Å; Q65-A69 WeakPolarHBondContact O-CB 3.42Å; Q65-A69 PolarHBondContact O-N 2.65Å; Y66-A69 PolarHBondContact O-N 3.27Å; A67-A69 PolarHBondContact O-N 3.34Å; A69-I72 PolarHBondContact O-N 3.49Å; A69-F73 WeakPolarHBondContact O-CD2 3.39Å; A69-F73 PolarHBondContact O-N 2.65Å
70F97.9Very high96.8Very high11 Ų1135.6 Ų35.65%0.04818%0.175CC..Hα-helixtrans-64.3-43.9172.2-80.2-64.6000112.1W12 L15 N16 Y66 A67 L68 I72 F73 F74 F94 F97 I103 I109W12-F70 HydrophobicContact CH2-CE1 4.48Å; W12-F70 HydrophobicContact CZ3-CD1 4.32Å; W12-F70 HydrophobicContact CZ3-CE1 4.11Å; L15-F70 HydrophobicContact CD1-CD2 4.23Å; L15-F70 HydrophobicContact CD1-CE2 3.88Å; L15-F70 HydrophobicContact CD1-CZ 4.1Å; L15-F70 HydrophobicContact CD2-CD1 3.72Å; L15-F70 HydrophobicContact CD2-CD2 4.27Å; L15-F70 HydrophobicContact CD2-CE1 3.71Å; L15-F70 HydrophobicContact CD2-CE2 4.28Å; L15-F70 HydrophobicContact CD2-CG 4Å; L15-F70 HydrophobicContact CD2-CZ 4.01Å; L15-F70 HydrophobicContact CG-CD1 4.28Å; L15-F70 HydrophobicContact CG-CD2 4.36Å; L15-F70 HydrophobicContact CG-CE1 3.81Å; L15-F70 HydrophobicContact CG-CE2 3.92Å; L15-F70 HydrophobicContact CG-CZ 3.62Å; N16-F70 WeakPolarHBondContact OD1-CE1 3.49Å; N16-F70 WeakPolarHBondContact OD1-CZ 3.41Å; Y66-F70 VanDerWaalsContact O-CD2 3.24Å; Y66-F70 WeakPolarHBondContact O-CD2 3.49Å; Y66-F70 PolarHBondContact O-N 3.15Å; A67-F70 PolarHBondContact O-N 3.09Å; L68-F70 PolarHBondContact O-N 3.16Å; F70-I72 VanDerWaalsContact C-N 3.29Å; F70-I72 PolarHBondContact O-N 3.09Å; F70-F73 PolarHBondContact O-N 2.89Å; F70-F73 VanDerWaalsContact O-N 3.08Å; F70-F74 HydrophobicContact CD1-CE2 4.4Å; F70-F74 WeakPolarHBondContact O-CD2 3.4Å; F70-F74 PolarHBondContact O-N 3.47Å; F70-F94 HydrophobicContact CB-CE2 3.99Å; F70-F94 HydrophobicContact CD1-CE2 4.05Å; F70-F94 HydrophobicContact CG-CE2 4.06Å; F70-F97 HydrophobicContact CD1-CE1 4.08Å; F70-F97 AromaticContact CE1-CE1 3.55Å; F70-F97 HydrophobicContact CE1-CE1 3.55Å; F70-F97 HydrophobicContact CE1-CZ 4.09Å; F70-F97 HydrophobicContact CZ-CE1 4.26Å; F70-I103 HydrophobicContact CE1-CD1 4.18Å; F70-I103 HydrophobicContact CE2-CD1 3.92Å; F70-I103 HydrophobicContact CZ-CD1 3.6Å; F70-I109 HydrophobicContact CB-CD1 3.97Å; F70-I109 HydrophobicContact CB-CG1 4.31Å; F70-I109 HydrophobicContact CB-CG2 3.69Å; F70-I109 HydrophobicContact CD2-CD1 3.68Å; F70-I109 HydrophobicContact CG-CD1 4.1Å
71A97.7Very high96.6Very high0 Ų031 Ų310%016%0.159CC..Hα-helixtrans-58.5-40.2177.200000111.8A67 L68 F73 F74 H75 L112 I113 F132A67-A71 PolarHBondContact O-N 3.48Å; L68-A71 PolarHBondContact O-N 3.33Å; A71-F73 VanDerWaalsContact C-N 3.34Å; A71-F73 PolarHBondContact O-N 3.45Å; A71-F74 PolarHBondContact O-N 2.88Å; A71-H75 VanDerWaalsContact O-CB 3.24Å; A71-H75 WeakPolarHBondContact O-CB 3.37Å; A71-H75 PolarHBondContact O-N 3.3Å; A71-H75 PolarHBondContact O-ND1 3.47Å; A71-L112 HydrophobicContact CB-CB 3.64Å; A71-L112 HydrophobicContact CB-CD1 4.1Å; A71-I113 HydrophobicContact CB-CG1 4.15Å; A71-F132 HydrophobicContact CB-CD2 4.23Å; A71-F132 HydrophobicContact CB-CE2 3.84Å; A71-F132 HydrophobicContact CB-CZ 4.12Å
72I98.2Very high96.5Very high0 Ų031.7 Ų31.70%017%0.167CC..Hα-helixtrans-58.1-46174.3-68.1164.4000111I48 T51 F52 Y55 L68 A69 F70 F74 H75 F132 L135I48-I72 WeakPolarHBondContact CD1-O 3.31Å; I48-I72 HydrophobicContact CG2-CG2 4.11Å; T51-I72 HydrophobicContact CG2-CD1 3.99Å; T51-I72 HydrophobicContact CG2-CG1 3.92Å; T51-I72 HydrophobicContact CG2-CG2 3.96Å; F52-I72 HydrophobicContact CD1-CD1 4.13Å; F52-I72 HydrophobicContact CD2-CG2 3.71Å; F52-I72 HydrophobicContact CE1-CB 4.36Å; F52-I72 HydrophobicContact CE1-CD1 3.91Å; F52-I72 HydrophobicContact CE1-CG2 4.36Å; F52-I72 HydrophobicContact CE2-CB 4.02Å; F52-I72 HydrophobicContact CE2-CG2 3.38Å; F52-I72 HydrophobicContact CG-CG2 4.38Å; F52-I72 HydrophobicContact CZ-CB 3.85Å; F52-I72 HydrophobicContact CZ-CD1 4.28Å; F52-I72 HydrophobicContact CZ-CG2 3.75Å; Y55-I72 HydrophobicContact CD2-CD1 3.93Å; Y55-I72 HydrophobicContact CG-CD1 4.03Å; L68-I72 HydrophobicContact CD2-CD1 3.48Å; L68-I72 VanDerWaalsContact CD2-CD1 3.48Å; L68-I72 HydrophobicContact CD2-CG1 3.75Å; L68-I72 WeakPolarHBondContact O-CG1 3.44Å; L68-I72 PolarHBondContact O-N 2.94Å; A69-I72 PolarHBondContact O-N 3.49Å; F70-I72 VanDerWaalsContact C-N 3.29Å; F70-I72 PolarHBondContact O-N 3.09Å; I72-F74 VanDerWaalsContact C-N 3.34Å; I72-F74 PolarHBondContact O-N 3.26Å; I72-H75 PolarHBondContact O-CE1 3.13Å; I72-H75 PolarHBondContact O-ND1 2.99Å; I72-F132 HydrophobicContact CG1-CD2 4.45Å; I72-F132 HydrophobicContact CG1-CE2 4.1Å; I72-L135 HydrophobicContact CD1-CD1 4.4Å
73F98.6Very high96.5Very high0 Ų032.5 Ų32.50%017%0.174CC..Hα-helixtrans-66.8-33.3178.8-80.9-64.6000113.4L8 R11 W12 L15 W28 I31 Y35 I48 F52 A69 F70 A71L8-F73 HydrophobicContact CB-CE1 4.33Å; L8-F73 HydrophobicContact CD2-CE1 4.13Å; L8-F73 HydrophobicContact CD2-CZ 4.28Å; R11-F73 HydrophobicContact CB-CZ 4.4Å; R11-F73 HydrophobicContact CG-CE2 4.3Å; R11-F73 HydrophobicContact CG-CZ 4.31Å; W12-F73 HydrophobicContact CB-CE2 4.47Å; W12-F73 HydrophobicContact CB-CZ 4.06Å; W12-F73 HydrophobicContact CE3-CD2 4.03Å; W12-F73 HydrophobicContact CE3-CE2 4.23Å; W12-F73 HydrophobicContact CE3-CG 4.23Å; L15-F73 HydrophobicContact CD2-CD2 3.87Å; L15-F73 HydrophobicContact CD2-CE2 3.95Å; W28-F73 HydrophobicContact CZ3-CE1 4.2Å; I31-F73 HydrophobicContact CD1-CB 4.31Å; I31-F73 HydrophobicContact CD1-CD1 4.3Å; I31-F73 HydrophobicContact CD1-CG 4.49Å; I31-F73 HydrophobicContact CG2-CD1 4.14Å; Y35-F73 WeakPolarHBondContact CE2-O 3.42Å; Y35-F73 PolarHBondContact OH-O 3.43Å; I48-F73 HydrophobicContact CG2-CD1 4.33Å; I48-F73 HydrophobicContact CG2-CE1 4.42Å; F52-F73 HydrophobicContact CD2-CZ 4.45Å; F52-F73 HydrophobicContact CE1-CE2 4.45Å; F52-F73 HydrophobicContact CE2-CD1 4.16Å; F52-F73 AromaticContact CE2-CD2 3.87Å; F52-F73 HydrophobicContact CE2-CD2 3.87Å; F52-F73 AromaticContact CE2-CE1 3.84Å; F52-F73 HydrophobicContact CE2-CE1 3.84Å; F52-F73 AromaticContact CE2-CE2 3.53Å; F52-F73 HydrophobicContact CE2-CE2 3.53Å; F52-F73 HydrophobicContact CE2-CG 4.17Å; F52-F73 AromaticContact CE2-CZ 3.51Å; F52-F73 HydrophobicContact CE2-CZ 3.51Å; F52-F73 AromaticContact CZ-CD2 3.63Å; F52-F73 HydrophobicContact CZ-CD2 3.63Å; F52-F73 HydrophobicContact CZ-CE1 4.49Å; F52-F73 AromaticContact CZ-CE2 3.35Å; F52-F73 HydrophobicContact CZ-CE2 3.35Å; F52-F73 HydrophobicContact CZ-CG 4.32Å; F52-F73 AromaticContact CZ-CZ 3.84Å; F52-F73 HydrophobicContact CZ-CZ 3.84Å; A69-F73 WeakPolarHBondContact O-CD2 3.39Å; A69-F73 PolarHBondContact O-N 2.65Å; F70-F73 PolarHBondContact O-N 2.89Å; F70-F73 VanDerWaalsContact O-N 3.08Å; A71-F73 VanDerWaalsContact C-N 3.34Å; A71-F73 PolarHBondContact O-N 3.45Å
74F98.3Very high96.3Very high0 Ų035.3 Ų35.30%019%0.185CC..Hα-helixtrans-102-23.8-169.4-81.9-96.3000115.4W12 W27 F70 A71 I72 D76 I77 S90 F94 F97 I113W12-F74 AromaticContact CH2-CE2 4Å; W12-F74 HydrophobicContact CH2-CE2 4Å; W12-F74 HydrophobicContact CH2-CZ 4.26Å; W12-F74 AromaticContact CZ3-CE2 3.87Å; W12-F74 HydrophobicContact CZ3-CE2 3.87Å; W27-F74 AromaticContact CE3-CE1 3.83Å; W27-F74 HydrophobicContact CE3-CE1 3.83Å; W27-F74 AromaticContact CE3-CZ 3.86Å; W27-F74 HydrophobicContact CE3-CZ 3.86Å; W27-F74 HydrophobicContact CH2-CE1 4.44Å; W27-F74 AromaticContact CZ3-CE1 3.63Å; W27-F74 HydrophobicContact CZ3-CE1 3.63Å; W27-F74 HydrophobicContact CZ3-CZ 4.14Å; F70-F74 HydrophobicContact CD1-CE2 4.4Å; F70-F74 WeakPolarHBondContact O-CD2 3.4Å; F70-F74 PolarHBondContact O-N 3.47Å; A71-F74 PolarHBondContact O-N 2.88Å; I72-F74 VanDerWaalsContact C-N 3.34Å; I72-F74 PolarHBondContact O-N 3.26Å; F74-D76 VanDerWaalsContact C-N 3.28Å; F74-D76 PolarHBondContact O-N 3.29Å; F74-D76 VanDerWaalsContact O-N 3.09Å; F74-I77 HydrophobicContact CD1-CD1 4Å; F74-I77 HydrophobicContact CD1-CG2 4.22Å; F74-I77 HydrophobicContact CE1-CD1 4.04Å; F74-I77 WeakPolarHBondContact O-CB 3.5Å; F74-I77 WeakPolarHBondContact O-CG2 3.43Å; F74-I77 PolarHBondContact O-N 3.27Å; F74-S90 VanDerWaalsContact O-CB 3.22Å; F74-S90 WeakPolarHBondContact O-CB 3.42Å; F74-S90 PolarHBondContact O-OG 2.69Å; F74-F94 HydrophobicContact CB-CB 4.27Å; F74-F94 HydrophobicContact CB-CD2 4.42Å; F74-F94 HydrophobicContact CD1-CB 3.63Å; F74-F94 AromaticContact CD1-CD2 3.99Å; F74-F94 HydrophobicContact CD1-CD2 3.99Å; F74-F94 HydrophobicContact CD1-CG 4.33Å; F74-F94 AromaticContact CD2-CD2 3.71Å; F74-F94 HydrophobicContact CD2-CD2 3.71Å; F74-F94 HydrophobicContact CD2-CE2 4.41Å; F74-F94 HydrophobicContact CE1-CB 4.11Å; F74-F94 HydrophobicContact CE1-CD2 4.13Å; F74-F94 AromaticContact CE2-CD2 3.85Å; F74-F94 HydrophobicContact CE2-CD2 3.85Å; F74-F94 HydrophobicContact CE2-CE2 4.4Å; F74-F94 HydrophobicContact CG-CB 3.98Å; F74-F94 AromaticContact CG-CD2 3.77Å; F74-F94 HydrophobicContact CG-CD2 3.77Å; F74-F94 HydrophobicContact CG-CG 4.34Å; F74-F94 HydrophobicContact CZ-CD2 4.07Å; F74-F97 HydrophobicContact CE1-CB 4.02Å; F74-F97 HydrophobicContact CE1-CG 4.43Å; F74-F97 AromaticContact CE2-CD1 3.93Å; F74-F97 HydrophobicContact CE2-CD1 3.93Å; F74-F97 HydrophobicContact CE2-CE1 4.38Å; F74-F97 HydrophobicContact CE2-CG 4.42Å; F74-F97 HydrophobicContact CZ-CB 3.76Å; F74-F97 AromaticContact CZ-CD1 3.62Å; F74-F97 HydrophobicContact CZ-CD1 3.62Å; F74-F97 HydrophobicContact CZ-CE1 4.4Å; F74-F97 AromaticContact CZ-CG 3.68Å; F74-F97 HydrophobicContact CZ-CG 3.68Å; F74-I113 HydrophobicContact CB-CD1 3.53Å; F74-I113 HydrophobicContact CB-CG1 4.14Å; F74-I113 HydrophobicContact CG-CD1 4.45Å
75H96.8Very high96.4Very high0 Ų035.8 Ų35.80%019%0.191CC..THydrogen-bonded Turntrans-57.6-34.8-164.370.5-71.4000116A71 I72 S90 F132 Q136A71-H75 VanDerWaalsContact O-CB 3.24Å; A71-H75 WeakPolarHBondContact O-CB 3.37Å; A71-H75 PolarHBondContact O-N 3.3Å; A71-H75 PolarHBondContact O-ND1 3.47Å; I72-H75 PolarHBondContact O-CE1 3.13Å; I72-H75 PolarHBondContact O-ND1 2.99Å; H75-S90 VanDerWaalsContact O-CB 3.24Å; H75-S90 WeakPolarHBondContact O-CB 3.49Å; H75-S90 PolarHBondContact O-OG 3.04Å; H75-S90 VanDerWaalsContact O-OG 3.09Å; H75-F132 HydrophobicContact CB-CE1 4.34Å; H75-F132 HydrophobicContact CB-CZ 3.64Å; H75-F132 AromaticContact CG-CZ 3.71Å; H75-Q136 PolarHBondContact NE2-OE1 2.93Å; H75-Q136 VanDerWaalsContact NE2-OE1 3.12Å
76D96.8Very high96.4Very high5 Ų532.7 Ų32.73%0.02718%0.177CC..THydrogen-bonded Turntrans-118.127.2176.4-68.1-20.4000110.9Y35 R40 H43 F74 C78 R115Y35-D76 HydrophobicContact CE1-CB 4.14Å; Y35-D76 PolarHBondContact OH-N 3.12Å; R40-D76 PolarHBondContact NH1-O 3.48Å; R40-D76 PolarHBondContact NH2-O 3.34Å; H43-D76 IonicContact CD2-OD2 3.44Å; H43-D76 PolarHBondContact CD2-OD2 3.27Å; F74-D76 VanDerWaalsContact C-N 3.28Å; F74-D76 PolarHBondContact O-N 3.29Å; F74-D76 VanDerWaalsContact O-N 3.09Å; D76-C78 CarbonylContact C-O 3.56Å; D76-C78 PolarHBondContact O-N 3.11Å; D76-R115 IonicContact OD1-NH2 2.84Å; D76-R115 PolarHBondContact OD1-NH2 3.12Å; D76-R115 IonicContact OD2-NH2 2.78Å
77I98.4Very high96.3Very high0 Ų027.3 Ų27.30%016%0.157CC..SBendtrans-63.3-31.7177.4-160.8173.9000110.9W27 R30 I31 A34 Y35 R40 F74 S90 E93W27-I77 HydrophobicContact CZ3-CD1 4.34Å; R30-I77 HydrophobicContact CG-CD1 4.2Å; I31-I77 HydrophobicContact CG1-CD1 3.91Å; A34-I77 HydrophobicContact CB-CG1 4.04Å; A34-I77 WeakPolarHBondContact CB-O 3.2Å; Y35-I77 PolarHBondContact OH-N 3.48Å; R40-I77 PolarHBondContact NH2-O 2.58Å; F74-I77 HydrophobicContact CD1-CD1 4Å; F74-I77 HydrophobicContact CD1-CG2 4.22Å; F74-I77 HydrophobicContact CE1-CD1 4.04Å; F74-I77 WeakPolarHBondContact O-CB 3.5Å; F74-I77 WeakPolarHBondContact O-CG2 3.43Å; F74-I77 PolarHBondContact O-N 3.27Å; I77-S90 PolarHBondContact N-OG 2.9Å; I77-E93 HydrophobicContact CG2-CB 3.78Å; I77-E93 HydrophobicContact CG2-CG 4.02Å
78C98Very high96.4Very high19 Ų1931.6 Ų31.613%0.12818%0.177CC..SBendtrans-103.4127.3161.8-65.20000108.3D76 E89 S90 E93D76-C78 CarbonylContact C-O 3.56Å; D76-C78 PolarHBondContact O-N 3.11Å; C78-E89 HydrophobicContact CB-CB 3.71Å; C78-S90 PolarHBondContact N-OG 3.25Å; C78-S90 PolarHBondContact O-OG 3.41Å; C78-E93 VanDerWaalsContact SG-CG 3.58Å
79Y96.8Very high96.5Very high38 Ų3835.4 Ų35.415%0.14919%0.194CC..  trans-155.2120.7-177.6178.7-99.5000110.6R40 H43 A81 N86 E157R40-Y79 HydrophobicContact CG-CD1 4.25Å; H43-Y79 HydrophobicContact CB-CD1 4.07Å; H43-Y79 HydrophobicContact CB-CD2 4.4Å; H43-Y79 HydrophobicContact CB-CE1 4.07Å; H43-Y79 HydrophobicContact CB-CE2 4.43Å; H43-Y79 HydrophobicContact CB-CG 4.24Å; H43-Y79 AromaticContact CD2-CE2 3.98Å; H43-Y79 AromaticContact CE1-CE2 3.48Å; H43-Y79 VanDerWaalsContact CE1-CE2 3.48Å; H43-Y79 WeakPolarHBondContact CE1-CE2 3.47Å; H43-Y79 AromaticContact CE1-CZ 3.37Å; H43-Y79 PolarHBondContact CE1-OH 2.84Å; H43-Y79 AromaticContact CG-CE1 3.98Å; H43-Y79 AromaticContact CG-CE2 3.73Å; H43-Y79 AromaticContact CG-CZ 3.68Å; H43-Y79 AromaticContact ND1-CE1 3.55Å; H43-Y79 AromaticContact ND1-CE2 3.45Å; H43-Y79 WeakPolarHBondContact ND1-CE2 3.31Å; H43-Y79 AromaticContact ND1-CZ 3.05Å; H43-Y79 PolarHBondContact ND1-OH 3.45Å; H43-Y79 AromaticContact NE2-CE2 3.86Å; Y79-A81 HydrophobicContact CE1-CB 4.47Å; Y79-N86 WeakPolarHBondContact CA-OD1 3.43Å; Y79-E157 VanDerWaalsContact CE1-OE2 3.27Å; Y79-E157 WeakPolarHBondContact CE1-OE2 3.36Å; Y79-E157 VanDerWaalsContact CZ-OE2 3.27Å; Y79-E157 PolarHBondContact OH-OE2 2.93Å
80D95.7Very high96.5Very high74 Ų7435.1 Ų35.140%0.39619%0.193SC..  trans-134.7122.7167179.6-19.9000107.9T82 S83 N86D80-T82 VanDerWaalsContact CG-OG1 3.26Å; D80-T82 PolarHBondContact O-N 2.96Å; D80-T82 WeakPolarHBondContact OD1-CB 3.22Å; D80-T82 PolarHBondContact OD1-N 2.9Å; D80-T82 PolarHBondContact OD1-OG1 2.9Å; D80-T82 PolarHBondContact OD2-OG1 2.81Å; D80-S83 PolarHBondContact O-N 3.43Å; D80-N86 PolarHBondContact N-ND2 3.18Å; D80-N86 PolarHBondContact N-OD1 3.05Å; D80-N86 PolarHBondContact O-ND2 3.38Å
81A93.2Very high96.5Very high35 Ų3534.6 Ų34.629%0.28919%0.19SC..THydrogen-bonded Turntrans-62.3-12.8-178.300000114.2Y79 E157Y79-A81 HydrophobicContact CE1-CB 4.47Å; A81-E157 WeakPolarHBondContact CB-O 3.27Å
82T93.9Very high96.5Very high87 Ų8737.7 Ų37.753%0.53421%0.206SC..THydrogen-bonded Turntrans-97.7-9.6176.469.40000113.6D80 H160D80-T82 VanDerWaalsContact CG-OG1 3.26Å; D80-T82 PolarHBondContact O-N 2.96Å; D80-T82 WeakPolarHBondContact OD1-CB 3.22Å; D80-T82 PolarHBondContact OD1-N 2.9Å; D80-T82 PolarHBondContact OD1-OG1 2.9Å; D80-T82 PolarHBondContact OD2-OG1 2.81Å; T82-H160 HydrophobicContact CG2-CB 4.23Å
83S93.7Very high96.5Very high31 Ų3138.9 Ų38.922%0.21721%0.212CC..  trans-98.2143.8-173.5-174.70000112.8D80 S85 N86D80-S83 PolarHBondContact O-N 3.43Å; S83-S85 PolarHBondContact OG-N 3.27Å; S83-S85 VanDerWaalsContact OG-N 3.09Å; S83-S85 PolarHBondContact OG-OG 3Å; S83-N86 PolarHBondContact O-ND2 3.45Å
84N91.2Very high96.5Very high163 Ų16338.9 Ų38.987%0.87221%0.212SC*.SBendtrans-101.87.1170.7-64.5-39.2000112.5
85S95.7Very high96.5Very high41 Ų4141.9 Ų41.929%0.28723%0.226SC..  trans-1061.2-179.655.20000113.7S83 E87 H88 E89S83-S85 PolarHBondContact OG-N 3.27Å; S83-S85 VanDerWaalsContact OG-N 3.09Å; S83-S85 PolarHBondContact OG-OG 3Å; S85-E87 VanDerWaalsContact C-N 3.33Å; S85-E87 PolarHBondContact O-N 2.76Å; S85-H88 PolarHBondContact O-N 3.1Å; S85-H88 VanDerWaalsContact O-N 3.09Å; S85-E89 WeakPolarHBondContact CB-OE1 3.49Å; S85-E89 WeakPolarHBondContact O-CB 3.35Å; S85-E89 WeakPolarHBondContact O-CG 3.42Å; S85-E89 PolarHBondContact O-N 2.87Å; S85-E89 PolarHBondContact OG-OE1 3.43Å
86N96.1Very high96.5Very high11 Ų1147.1 Ų47.16%0.05925%0.249CC..Hα-helixtrans-51.6-48.8-174.8-69.1-28.9000112.6Y79 D80 S83 H88 E89 S90Y79-N86 WeakPolarHBondContact CA-OD1 3.43Å; D80-N86 PolarHBondContact N-ND2 3.18Å; D80-N86 PolarHBondContact N-OD1 3.05Å; D80-N86 PolarHBondContact O-ND2 3.38Å; S83-N86 PolarHBondContact O-ND2 3.45Å; N86-H88 PolarHBondContact O-N 3.34Å; N86-E89 PolarHBondContact O-N 3.14Å; N86-S90 WeakPolarHBondContact O-CB 3.3Å; N86-S90 PolarHBondContact O-N 2.84Å; N86-S90 PolarHBondContact O-OG 2.62Å
87E95.4Very high96.5Very high51 Ų5146.9 Ų46.924%0.23825%0.248CC..Hα-helixtrans-63.7-43.2-179.2-678616900111.7S85 S90 A91 R115S85-E87 VanDerWaalsContact C-N 3.33Å; S85-E87 PolarHBondContact O-N 2.76Å; E87-S90 PolarHBondContact O-N 3.32Å; E87-A91 PolarHBondContact O-N 3.2Å; E87-R115 HydrophobicContact CG-CG 4.22Å; E87-R115 IonicContact OE1-CZ 2.85Å; E87-R115 IonicContact OE1-NE 2.97Å; E87-R115 IonicContact OE1-NH1 3.87Å; E87-R115 PolarHBondContact OE1-NH1 3.31Å
88H97.2Very high96.4Very high92 Ų9248.1 Ų48.143%0.42626%0.256SS..Hα-helixtrans-67.7-43.8178.8-175.963.8000111.8S85 N86 S90 A91 L92 E114S85-H88 PolarHBondContact O-N 3.1Å; S85-H88 VanDerWaalsContact O-N 3.09Å; N86-H88 PolarHBondContact O-N 3.34Å; H88-S90 VanDerWaalsContact C-N 3.31Å; H88-S90 PolarHBondContact O-N 3Å; H88-A91 WeakPolarHBondContact O-CB 3.47Å; H88-A91 PolarHBondContact O-N 3.48Å; H88-L92 WeakPolarHBondContact O-CG 3.45Å; H88-L92 PolarHBondContact O-N 3.38Å; H88-E114 IonicContact CE1-OE1 3.31Å; H88-E114 IonicContact CG-OE1 2.86Å; H88-E114 IonicContact ND1-OE1 2.69Å; H88-E114 PolarHBondContact ND1-OE1 2.86Å
89E98.2Very high96.3Very high80 Ų8055.3 Ų55.337%0.37429%0.285SS..Hα-helixtrans-63-39.4176.4-72.2174.5-159.600111.9C78 S85 N86 A91 L92 E93C78-E89 HydrophobicContact CB-CB 3.71Å; S85-E89 WeakPolarHBondContact CB-OE1 3.49Å; S85-E89 WeakPolarHBondContact O-CB 3.35Å; S85-E89 WeakPolarHBondContact O-CG 3.42Å; S85-E89 PolarHBondContact O-N 2.87Å; S85-E89 PolarHBondContact OG-OE1 3.43Å; N86-E89 PolarHBondContact O-N 3.14Å; E89-A91 VanDerWaalsContact C-N 3.34Å; E89-L92 WeakPolarHBondContact O-CB 3.13Å; E89-L92 PolarHBondContact O-N 3.36Å; E89-E93 PolarHBondContact O-N 2.91Å
90S98.4Very high96.2Very high0 Ų058.3 Ų58.30%030%0.3CS..Hα-helixtrans-62.9-39.7173.7-73.60000112.2F74 H75 I77 C78 N86 E87 H88 E93 F94F74-S90 VanDerWaalsContact O-CB 3.22Å; F74-S90 WeakPolarHBondContact O-CB 3.42Å; F74-S90 PolarHBondContact O-OG 2.69Å; H75-S90 VanDerWaalsContact O-CB 3.24Å; H75-S90 WeakPolarHBondContact O-CB 3.49Å; H75-S90 PolarHBondContact O-OG 3.04Å; H75-S90 VanDerWaalsContact O-OG 3.09Å; I77-S90 PolarHBondContact N-OG 2.9Å; C78-S90 PolarHBondContact N-OG 3.25Å; C78-S90 PolarHBondContact O-OG 3.41Å; N86-S90 WeakPolarHBondContact O-CB 3.3Å; N86-S90 PolarHBondContact O-N 2.84Å; N86-S90 PolarHBondContact O-OG 2.62Å; E87-S90 PolarHBondContact O-N 3.32Å; H88-S90 VanDerWaalsContact C-N 3.31Å; H88-S90 PolarHBondContact O-N 3Å; S90-E93 PolarHBondContact O-N 2.9Å; S90-F94 PolarHBondContact O-N 2.81Å
91A98.1Very high96Very high0 Ų055.9 Ų55.90%029%0.288CS..Hα-helixtrans-64.9-37.9173.300000112.3E87 H88 E89 F94 Q95 I110 I113 E114E87-A91 PolarHBondContact O-N 3.2Å; H88-A91 WeakPolarHBondContact O-CB 3.47Å; H88-A91 PolarHBondContact O-N 3.48Å; E89-A91 VanDerWaalsContact C-N 3.34Å; A91-F94 PolarHBondContact O-N 3.42Å; A91-Q95 WeakPolarHBondContact O-CG 3.24Å; A91-Q95 PolarHBondContact O-N 2.84Å; A91-I110 HydrophobicContact CB-CG2 4.23Å; A91-I113 HydrophobicContact CB-CB 4.46Å; A91-I113 HydrophobicContact CB-CG2 3.85Å; A91-E114 HydrophobicContact CB-CG 3.57Å
92L98.2Very high95.8Very high65 Ų6559.9 Ų59.934%0.3431%0.309SS..Hα-helixtrans-65.5-37.3174.7-67.2178000112.3H88 E89 Q95 K96H88-L92 WeakPolarHBondContact O-CG 3.45Å; H88-L92 PolarHBondContact O-N 3.38Å; E89-L92 WeakPolarHBondContact O-CB 3.13Å; E89-L92 PolarHBondContact O-N 3.36Å; L92-Q95 PolarHBondContact O-N 3.39Å; L92-K96 WeakPolarHBondContact O-CG 3.43Å; L92-K96 PolarHBondContact O-N 3.15Å; L92-K96 VanDerWaalsContact O-N 3.12Å
93E98.3Very high95.7Very high25 Ų2557 Ų5712%0.11729%0.29CS..Hα-helixtrans-62.4-44171.7-69.6-72.695.100110.8W27 R30 I77 C78 E89 S90 Q95 K96 F97W27-E93 HydrophobicContact CH2-CB 4.44Å; W27-E93 WeakPolarHBondContact CH2-O 3.11Å; W27-E93 HydrophobicContact CZ3-CB 4.38Å; R30-E93 IonicContact CZ-OE2 2.68Å; R30-E93 VanDerWaalsContact CZ-OE2 3.31Å; R30-E93 IonicContact NE-OE2 3.77Å; R30-E93 PolarHBondContact NE-OE2 3.32Å; R30-E93 IonicContact NH2-OE2 3.39Å; R30-E93 PolarHBondContact NH2-OE2 3.45Å; I77-E93 HydrophobicContact CG2-CB 3.78Å; I77-E93 HydrophobicContact CG2-CG 4.02Å; C78-E93 VanDerWaalsContact SG-CG 3.58Å; E89-E93 PolarHBondContact O-N 2.91Å; S90-E93 PolarHBondContact O-N 2.9Å; E93-Q95 VanDerWaalsContact C-N 3.32Å; E93-Q95 PolarHBondContact O-N 3.44Å; E93-K96 WeakPolarHBondContact O-CB 3.49Å; E93-K96 PolarHBondContact O-N 3.14Å; E93-K96 VanDerWaalsContact O-N 3.17Å; E93-K96 IonicContact OE1-NZ 3.15Å; E93-K96 PolarHBondContact OE1-NZ 3.26Å; E93-F97 PolarHBondContact O-N 2.94Å; E93-F97 VanDerWaalsContact O-N 3.1Å
94F98.2Very high95.6Very high0 Ų064 Ų640%032%0.316CS..Hα-helixtrans-61.7-38.9174.6-178.7-99.9000112.7F70 F74 S90 A91 K96 F97 S98 I103 P106 I109 I110 I113F70-F94 HydrophobicContact CB-CE2 3.99Å; F70-F94 HydrophobicContact CD1-CE2 4.05Å; F70-F94 HydrophobicContact CG-CE2 4.06Å; F74-F94 HydrophobicContact CB-CB 4.27Å; F74-F94 HydrophobicContact CB-CD2 4.42Å; F74-F94 HydrophobicContact CD1-CB 3.63Å; F74-F94 AromaticContact CD1-CD2 3.99Å; F74-F94 HydrophobicContact CD1-CD2 3.99Å; F74-F94 HydrophobicContact CD1-CG 4.33Å; F74-F94 AromaticContact CD2-CD2 3.71Å; F74-F94 HydrophobicContact CD2-CD2 3.71Å; F74-F94 HydrophobicContact CD2-CE2 4.41Å; F74-F94 HydrophobicContact CE1-CB 4.11Å; F74-F94 HydrophobicContact CE1-CD2 4.13Å; F74-F94 AromaticContact CE2-CD2 3.85Å; F74-F94 HydrophobicContact CE2-CD2 3.85Å; F74-F94 HydrophobicContact CE2-CE2 4.4Å; F74-F94 HydrophobicContact CG-CB 3.98Å; F74-F94 AromaticContact CG-CD2 3.77Å; F74-F94 HydrophobicContact CG-CD2 3.77Å; F74-F94 HydrophobicContact CG-CG 4.34Å; F74-F94 HydrophobicContact CZ-CD2 4.07Å; S90-F94 PolarHBondContact O-N 2.81Å; A91-F94 PolarHBondContact O-N 3.42Å; F94-K96 VanDerWaalsContact C-N 3.28Å; F94-K96 PolarHBondContact O-N 3.31Å; F94-F97 HydrophobicContact CD2-CD1 4Å; F94-F97 AromaticContact CE2-CD1 3.83Å; F94-F97 HydrophobicContact CE2-CD1 3.83Å; F94-F97 HydrophobicContact CE2-CE1 4.27Å; F94-F97 WeakPolarHBondContact O-CB 3.47Å; F94-F97 PolarHBondContact O-N 2.89Å; F94-S98 WeakPolarHBondContact O-CB 3.38Å; F94-S98 PolarHBondContact O-N 3.23Å; F94-I103 HydrophobicContact CZ-CG1 4.48Å; F94-I103 HydrophobicContact CZ-CG2 3.94Å; F94-P106 HydrophobicContact CE1-CB 4.14Å; F94-I109 HydrophobicContact CD1-CB 4.28Å; F94-I109 HydrophobicContact CD1-CG2 3.88Å; F94-I109 HydrophobicContact CD2-CG2 4Å; F94-I109 HydrophobicContact CE1-CB 3.57Å; F94-I109 HydrophobicContact CE1-CD1 4.13Å; F94-I109 HydrophobicContact CE1-CG1 4.42Å; F94-I109 HydrophobicContact CE1-CG2 3.5Å; F94-I109 VanDerWaalsContact CE1-CG2 3.5Å; F94-I109 HydrophobicContact CE2-CB 4.42Å; F94-I109 HydrophobicContact CE2-CD1 4.24Å; F94-I109 HydrophobicContact CE2-CG2 3.63Å; F94-I109 HydrophobicContact CG-CG2 4.11Å; F94-I109 HydrophobicContact CZ-CB 3.66Å; F94-I109 HydrophobicContact CZ-CD1 3.45Å; F94-I109 VanDerWaalsContact CZ-CD1 3.45Å; F94-I109 HydrophobicContact CZ-CG1 4.12Å; F94-I109 HydrophobicContact CZ-CG2 3.37Å; F94-I110 HydrophobicContact CD1-CD1 4.49Å; F94-I110 HydrophobicContact CD1-CG1 3.78Å; F94-I110 HydrophobicContact CE1-CG1 4.26Å; F94-I113 HydrophobicContact CB-CD1 3.61Å; F94-I113 HydrophobicContact CD1-CD1 4.21Å; F94-I113 HydrophobicContact CD2-CD1 4.25Å; F94-I113 HydrophobicContact CG-CD1 3.74Å
95Q97.6Very high95.5Very high63 Ų6361 Ų6129%0.29430%0.297SS..Hα-helixtrans-63.7-30.9175.4-75.4177.27.300113.5A91 L92 E93 S98 K99 I110A91-Q95 WeakPolarHBondContact O-CG 3.24Å; A91-Q95 PolarHBondContact O-N 2.84Å; L92-Q95 PolarHBondContact O-N 3.39Å; E93-Q95 VanDerWaalsContact C-N 3.32Å; E93-Q95 PolarHBondContact O-N 3.44Å; Q95-S98 PolarHBondContact O-OG 3.21Å; Q95-K99 WeakPolarHBondContact O-CD 3.38Å; Q95-K99 VanDerWaalsContact O-CG 3.32Å; Q95-K99 WeakPolarHBondContact O-CG 3.26Å; Q95-I110 HydrophobicContact CG-CD1 3.56Å; Q95-I110 HydrophobicContact CG-CG1 4.17Å
96K97.6Very high95.5Very high110 Ų11060.8 Ų60.848%0.47830%0.295SS..Hα-helixtrans-68.1-50.4172.4-67.4169-168.5168.80109.4W27 L92 E93 F94 S98 K99W27-K96 HydrophobicContact CH2-CB 4.09Å; W27-K96 HydrophobicContact CZ2-CB 3.96Å; L92-K96 WeakPolarHBondContact O-CG 3.43Å; L92-K96 PolarHBondContact O-N 3.15Å; L92-K96 VanDerWaalsContact O-N 3.12Å; E93-K96 WeakPolarHBondContact O-CB 3.49Å; E93-K96 PolarHBondContact O-N 3.14Å; E93-K96 VanDerWaalsContact O-N 3.17Å; E93-K96 IonicContact OE1-NZ 3.15Å; E93-K96 PolarHBondContact OE1-NZ 3.26Å; F94-K96 VanDerWaalsContact C-N 3.28Å; F94-K96 PolarHBondContact O-N 3.31Å; K96-S98 VanDerWaalsContact C-N 3.32Å; K96-S98 PolarHBondContact O-N 3.32Å; K96-K99 PolarHBondContact O-N 3.14Å; K96-K99 VanDerWaalsContact O-N 3.09Å
97F97.2Very high95.4Very high0 Ų065.1 Ų65.10%032%0.315CS..Hα-helixtrans-55-46.4176.9172.1-115.8000112.4W12 N16 V23 W27 F70 F74 E93 F94 K99 E100 T101 I103W12-F97 HydrophobicContact CH2-CD1 4.44Å; W12-F97 HydrophobicContact CH2-CD2 4.29Å; W12-F97 AromaticContact CH2-CE1 3.89Å; W12-F97 HydrophobicContact CH2-CE1 3.89Å; W12-F97 AromaticContact CH2-CE2 3.7Å; W12-F97 HydrophobicContact CH2-CE2 3.7Å; W12-F97 AromaticContact CH2-CZ 3.49Å; W12-F97 HydrophobicContact CH2-CZ 3.49Å; W12-F97 VanDerWaalsContact CH2-CZ 3.49Å; W12-F97 AromaticContact CZ2-CE2 3.85Å; W12-F97 HydrophobicContact CZ2-CE2 3.85Å; W12-F97 AromaticContact CZ2-CZ 3.98Å; W12-F97 HydrophobicContact CZ2-CZ 3.98Å; W12-F97 HydrophobicContact CZ3-CZ 4.47Å; N16-F97 WeakPolarHBondContact OD1-CZ 3.45Å; V23-F97 HydrophobicContact CG1-CD2 4.39Å; V23-F97 HydrophobicContact CG1-CE2 4.04Å; W27-F97 HydrophobicContact CB-CD2 4.25Å; W27-F97 HydrophobicContact CB-CE2 4.46Å; W27-F97 AromaticContact CD1-CD2 3.42Å; W27-F97 VanDerWaalsContact CD1-CD2 3.42Å; W27-F97 HydrophobicContact CD2-CB 3.85Å; W27-F97 AromaticContact CD2-CD2 3.73Å; W27-F97 HydrophobicContact CD2-CD2 3.73Å; W27-F97 HydrophobicContact CD2-CG 4.1Å; W27-F97 AromaticContact CE2-CD2 3.77Å; W27-F97 HydrophobicContact CE3-CB 4.14Å; W27-F97 AromaticContact CG-CD2 3.51Å; W27-F97 HydrophobicContact CG-CD2 3.51Å; W27-F97 HydrophobicContact CG-CE2 4.12Å; W27-F97 HydrophobicContact CG-CG 4.31Å; W27-F97 HydrophobicContact CH2-CB 3.88Å; W27-F97 VanDerWaalsContact CZ2-CA 3.48Å; W27-F97 HydrophobicContact CZ2-CB 3.56Å; W27-F97 VanDerWaalsContact CZ2-N 3.33Å; W27-F97 HydrophobicContact CZ3-CB 4.16Å; W27-F97 AromaticContact NE1-CD2 3.56Å; F70-F97 HydrophobicContact CD1-CE1 4.08Å; F70-F97 AromaticContact CE1-CE1 3.55Å; F70-F97 HydrophobicContact CE1-CE1 3.55Å; F70-F97 HydrophobicContact CE1-CZ 4.09Å; F70-F97 HydrophobicContact CZ-CE1 4.26Å; F74-F97 HydrophobicContact CE1-CB 4.02Å; F74-F97 HydrophobicContact CE1-CG 4.43Å; F74-F97 AromaticContact CE2-CD1 3.93Å; F74-F97 HydrophobicContact CE2-CD1 3.93Å; F74-F97 HydrophobicContact CE2-CE1 4.38Å; F74-F97 HydrophobicContact CE2-CG 4.42Å; F74-F97 HydrophobicContact CZ-CB 3.76Å; F74-F97 AromaticContact CZ-CD1 3.62Å; F74-F97 HydrophobicContact CZ-CD1 3.62Å; F74-F97 HydrophobicContact CZ-CE1 4.4Å; F74-F97 AromaticContact CZ-CG 3.68Å; F74-F97 HydrophobicContact CZ-CG 3.68Å; E93-F97 PolarHBondContact O-N 2.94Å; E93-F97 VanDerWaalsContact O-N 3.1Å; F94-F97 HydrophobicContact CD2-CD1 4Å; F94-F97 AromaticContact CE2-CD1 3.83Å; F94-F97 HydrophobicContact CE2-CD1 3.83Å; F94-F97 HydrophobicContact CE2-CE1 4.27Å; F94-F97 WeakPolarHBondContact O-CB 3.47Å; F94-F97 PolarHBondContact O-N 2.89Å; F97-K99 PolarHBondContact O-N 2.88Å; F97-K99 VanDerWaalsContact O-N 3.09Å; F97-E100 PolarHBondContact O-N 3.43Å; F97-T101 HydrophobicContact CD2-CG2 4.42Å; F97-T101 HydrophobicContact CE1-CG2 4.06Å; F97-T101 HydrophobicContact CE2-CG2 3.79Å; F97-T101 HydrophobicContact CZ-CG2 3.56Å; F97-T101 PolarHBondContact O-N 2.89Å; F97-I103 HydrophobicContact CE1-CD1 3.75Å; F97-I103 HydrophobicContact CE1-CG1 4.27Å; F97-I103 HydrophobicContact CZ-CD1 4.27Å
98S95.8Very high95.2Very high25 Ų2564.5 Ų64.518%0.17532%0.316CS..Hα-helixtrans-66.5-12.9-178.175.90000114.2F94 Q95 K96F94-S98 WeakPolarHBondContact O-CB 3.38Å; F94-S98 PolarHBondContact O-N 3.23Å; Q95-S98 PolarHBondContact O-OG 3.21Å; K96-S98 VanDerWaalsContact C-N 3.32Å; K96-S98 PolarHBondContact O-N 3.32Å
99K95.1Very high95.1Very high171 Ų17160.2 Ų60.274%0.74330%0.296SS*.Hα-helixtrans-90.1-17.8173.9-70.1169.7-174.9174.50112.7Q95 K96 F97Q95-K99 WeakPolarHBondContact O-CD 3.38Å; Q95-K99 VanDerWaalsContact O-CG 3.32Å; Q95-K99 WeakPolarHBondContact O-CG 3.26Å; K96-K99 PolarHBondContact O-N 3.14Å; K96-K99 VanDerWaalsContact O-N 3.09Å; F97-K99 PolarHBondContact O-N 2.88Å; F97-K99 VanDerWaalsContact O-N 3.09Å
100E94.8Very high95Very high100 Ų10057.5 Ų57.547%0.46728%0.284SS..Hα-helixtrans-92-7.5179.2-66174.6-156.400112.4V23 W27 F97V23-E100 HydrophobicContact CG1-CB 4.02Å; V23-E100 HydrophobicContact CG2-CB 4.19Å; W27-E100 PolarHBondContact NE1-OE2 3.32Å; F97-E100 PolarHBondContact O-N 3.43Å
101T92.1Very high94.8Very high24 Ų2459.5 Ų59.515%0.14729%0.294CS..SBendtrans-150.1173-179.6-167.70000112.3A19 F97 I103A19-T101 VanDerWaalsContact CB-OG1 3.29Å; A19-T101 WeakPolarHBondContact CB-OG1 3.42Å; F97-T101 HydrophobicContact CD2-CG2 4.42Å; F97-T101 HydrophobicContact CE1-CG2 4.06Å; F97-T101 HydrophobicContact CE2-CG2 3.79Å; F97-T101 HydrophobicContact CZ-CG2 3.56Å; F97-T101 PolarHBondContact O-N 2.89Å; T101-I103 HydrophobicContact CG2-CD1 3.71Å; T101-I103 HydrophobicContact CG2-CG1 3.82Å; T101-I103 PolarHBondContact O-N 2.9Å
102V88.4Confident94.7Very high119 Ų11959.9 Ų59.972%0.72130%0.297SS*.  trans-86.3104.8176.1-177.70000109.8
103I92.9Very high94.6Very high26 Ų2656.8 Ų56.813%0.13328%0.281CS..  trans-107.7128171.5-60.5-57.1000109.4F70 F94 F97 T101 P106 I109F70-I103 HydrophobicContact CE1-CD1 4.18Å; F70-I103 HydrophobicContact CE2-CD1 3.92Å; F70-I103 HydrophobicContact CZ-CD1 3.6Å; F94-I103 HydrophobicContact CZ-CG1 4.48Å; F94-I103 HydrophobicContact CZ-CG2 3.94Å; F97-I103 HydrophobicContact CE1-CD1 3.75Å; F97-I103 HydrophobicContact CE1-CG1 4.27Å; F97-I103 HydrophobicContact CZ-CD1 4.27Å; T101-I103 HydrophobicContact CG2-CD1 3.71Å; T101-I103 HydrophobicContact CG2-CG1 3.82Å; T101-I103 PolarHBondContact O-N 2.9Å; I103-P106 HydrophobicContact CG2-CB 4Å; I103-I109 HydrophobicContact CG2-CD1 3.69Å
104K90.4Very high94.3Very high177 Ų17757.3 Ų57.377%0.7728%0.283SS*.SBendtrans-82131.8170.6-65.8178.8-177.9173.10109.3
105Q90.6Very high93.7Very high100 Ų10063 Ų6347%0.46730%0.304SS..SBendtrans52.654178.6-59171.312.400113.6N64 E107 C108N64-Q105 PolarHBondContact ND2-OE1 2.7Å; Q105-E107 VanDerWaalsContact C-OE2 3.25Å; Q105-E107 WeakPolarHBondContact CA-OE1 3.21Å; Q105-E107 WeakPolarHBondContact CA-OE2 3.43Å; Q105-E107 WeakPolarHBondContact CB-OE1 3.45Å; Q105-E107 PolarHBondContact O-N 3.37Å; Q105-E107 VanDerWaalsContact O-N 3.17Å; Q105-C108 HydrophobicContact CB-CB 4.3Å; Q105-C108 PolarHBondContact O-N 3.24Å; Q105-C108 VanDerWaalsContact O-N 3.14Å
106P94.4Very high92.1Very high38 Ų3866 Ų6625%0.24731%0.313CS..Hα-helixtrans-56.9-29.317926-35.6000112.8F94 I103 I109 I110F94-P106 HydrophobicContact CE1-CB 4.14Å; I103-P106 HydrophobicContact CG2-CB 4Å; P106-I109 PolarHBondContact O-N 3.28Å; P106-I110 WeakPolarHBondContact O-CD1 3.22Å; P106-I110 VanDerWaalsContact O-CG1 3.29Å; P106-I110 WeakPolarHBondContact O-CG1 3.24Å; P106-I110 PolarHBondContact O-N 3.1Å
107E93.6Very high90.1Very high101 Ų10163.1 Ų63.147%0.47232%0.315SS..Hα-helixtrans-59.7-42.9175.966.9-71.6171.600112.9Q105 I109 I110 D111Q105-E107 VanDerWaalsContact C-OE2 3.25Å; Q105-E107 WeakPolarHBondContact CA-OE1 3.21Å; Q105-E107 WeakPolarHBondContact CA-OE2 3.43Å; Q105-E107 WeakPolarHBondContact CB-OE1 3.45Å; Q105-E107 PolarHBondContact O-N 3.37Å; Q105-E107 VanDerWaalsContact O-N 3.17Å; E107-I109 PolarHBondContact O-N 2.99Å; E107-I110 PolarHBondContact O-N 2.88Å; E107-D111 PolarHBondContact O-N 3.44Å
108C92.5Very high87.7Confident39 Ų3966.8 Ų66.826%0.26433%0.334SS..Hα-helixtrans-63.3-33.2177.2-64.60000111.9Q105 L112Q105-C108 HydrophobicContact CB-CB 4.3Å; Q105-C108 PolarHBondContact O-N 3.24Å; Q105-C108 VanDerWaalsContact O-N 3.14Å; C108-L112 WeakPolarHBondContact O-CG 3.4Å; C108-L112 PolarHBondContact O-N 3.47Å
109I95.6Very high84.9Confident2 Ų273.6 Ų73.61%0.0137%0.365CS..Hα-helixtrans-74.2-42.5179-61.5166.6000110.4A67 F70 F94 I103 P106 E107 D111 L112 I113A67-I109 HydrophobicContact CB-CD1 4.29Å; A67-I109 HydrophobicContact CB-CG1 3.52Å; F70-I109 HydrophobicContact CB-CD1 3.97Å; F70-I109 HydrophobicContact CB-CG1 4.31Å; F70-I109 HydrophobicContact CB-CG2 3.69Å; F70-I109 HydrophobicContact CD2-CD1 3.68Å; F70-I109 HydrophobicContact CG-CD1 4.1Å; F94-I109 HydrophobicContact CD1-CB 4.28Å; F94-I109 HydrophobicContact CD1-CG2 3.88Å; F94-I109 HydrophobicContact CD2-CG2 4Å; F94-I109 HydrophobicContact CE1-CB 3.57Å; F94-I109 HydrophobicContact CE1-CD1 4.13Å; F94-I109 HydrophobicContact CE1-CG1 4.42Å; F94-I109 HydrophobicContact CE1-CG2 3.5Å; F94-I109 VanDerWaalsContact CE1-CG2 3.5Å; F94-I109 HydrophobicContact CE2-CB 4.42Å; F94-I109 HydrophobicContact CE2-CD1 4.24Å; F94-I109 HydrophobicContact CE2-CG2 3.63Å; F94-I109 HydrophobicContact CG-CG2 4.11Å; F94-I109 HydrophobicContact CZ-CB 3.66Å; F94-I109 HydrophobicContact CZ-CD1 3.45Å; F94-I109 VanDerWaalsContact CZ-CD1 3.45Å; F94-I109 HydrophobicContact CZ-CG1 4.12Å; F94-I109 HydrophobicContact CZ-CG2 3.37Å; I103-I109 HydrophobicContact CG2-CD1 3.69Å; P106-I109 PolarHBondContact O-N 3.28Å; E107-I109 PolarHBondContact O-N 2.99Å; I109-D111 VanDerWaalsContact C-N 3.33Å; I109-D111 PolarHBondContact O-N 3.23Å; I109-L112 PolarHBondContact O-N 3.17Å; I109-I113 HydrophobicContact CG2-CD1 3.8Å; I109-I113 HydrophobicContact CG2-CG1 4.46Å; I109-I113 VanDerWaalsContact O-CG1 3.31Å; I109-I113 WeakPolarHBondContact O-CG1 3.23Å; I109-I113 PolarHBondContact O-N 3.49Å
110I96Very high82.5Confident22 Ų2268.4 Ų68.411%0.11334%0.343CS..Hα-helixtrans-59.2-45.7175.1-70.5161.6000110.4A91 F94 Q95 P106 E107 L112 I113 E114A91-I110 HydrophobicContact CB-CG2 4.23Å; F94-I110 HydrophobicContact CD1-CD1 4.49Å; F94-I110 HydrophobicContact CD1-CG1 3.78Å; F94-I110 HydrophobicContact CE1-CG1 4.26Å; Q95-I110 HydrophobicContact CG-CD1 3.56Å; Q95-I110 HydrophobicContact CG-CG1 4.17Å; P106-I110 WeakPolarHBondContact O-CD1 3.22Å; P106-I110 VanDerWaalsContact O-CG1 3.29Å; P106-I110 WeakPolarHBondContact O-CG1 3.24Å; P106-I110 PolarHBondContact O-N 3.1Å; E107-I110 PolarHBondContact O-N 2.88Å; I110-L112 VanDerWaalsContact C-N 3.33Å; I110-L112 PolarHBondContact O-N 2.94Å; I110-I113 PolarHBondContact O-N 3.26Å; I110-E114 HydrophobicContact CG2-CG 4.43Å; I110-E114 VanDerWaalsContact CG2-OE2 3.32Å; I110-E114 WeakPolarHBondContact CG2-OE2 3.38Å; I110-E114 PolarHBondContact O-N 3.3Å
111D94.1Very high80.1Confident42 Ų4273.7 Ų73.723%0.22537%0.368CS..Hα-helixtrans-63.2-38.1179.4-74.7-26.2000112.4E107 I109 R115 R116 I118E107-D111 PolarHBondContact O-N 3.44Å; I109-D111 VanDerWaalsContact C-N 3.33Å; I109-D111 PolarHBondContact O-N 3.23Å; D111-R115 PolarHBondContact O-N 3.2Å; D111-R116 HydrophobicContact CB-CB 4.42Å; D111-R116 PolarHBondContact O-N 2.89Å; D111-R116 WeakPolarHBondContact OD1-CD 3.43Å; D111-R116 IonicContact OD1-NH1 3.25Å; D111-R116 PolarHBondContact OD1-NH1 2.92Å; D111-R116 VanDerWaalsContact OD1-NH1 3.15Å; D111-I118 HydrophobicContact CB-CD1 4.38Å
112L95Very high77.9Confident9 Ų977.3 Ų77.35%0.04739%0.386CS..Hα-helixtrans-64.1-45.8172.7-72172000112A67 L68 A71 C108 I109 I110 R115 A129 F132A67-L112 HydrophobicContact CB-CD1 4.2Å; L68-L112 HydrophobicContact CB-CD1 4.38Å; A71-L112 HydrophobicContact CB-CB 3.64Å; A71-L112 HydrophobicContact CB-CD1 4.1Å; C108-L112 WeakPolarHBondContact O-CG 3.4Å; C108-L112 PolarHBondContact O-N 3.47Å; I109-L112 PolarHBondContact O-N 3.17Å; I110-L112 VanDerWaalsContact C-N 3.33Å; I110-L112 PolarHBondContact O-N 2.94Å; L112-R115 PolarHBondContact O-N 2.96Å; L112-R115 VanDerWaalsContact O-N 3.09Å; L112-A129 HydrophobicContact CD2-CB 4.1Å; L112-F132 HydrophobicContact CD2-CB 4Å; L112-F132 HydrophobicContact CD2-CG 4.36Å; L112-F132 VanDerWaalsContact O-CE1 3.26Å; L112-F132 WeakPolarHBondContact O-CE1 3.48Å
113I96.2Very high76Confident0 Ų074.6 Ų74.60%038%0.382CS..Hα-helixtrans-62.7-45.5179-70.2162.7000111.2A71 F74 A91 F94 I109 I110 R115A71-I113 HydrophobicContact CB-CG1 4.15Å; F74-I113 HydrophobicContact CB-CD1 3.53Å; F74-I113 HydrophobicContact CB-CG1 4.14Å; F74-I113 HydrophobicContact CG-CD1 4.45Å; A91-I113 HydrophobicContact CB-CB 4.46Å; A91-I113 HydrophobicContact CB-CG2 3.85Å; F94-I113 HydrophobicContact CB-CD1 3.61Å; F94-I113 HydrophobicContact CD1-CD1 4.21Å; F94-I113 HydrophobicContact CD2-CD1 4.25Å; F94-I113 HydrophobicContact CG-CD1 3.74Å; I109-I113 HydrophobicContact CG2-CD1 3.8Å; I109-I113 HydrophobicContact CG2-CG1 4.46Å; I109-I113 VanDerWaalsContact O-CG1 3.31Å; I109-I113 WeakPolarHBondContact O-CG1 3.23Å; I109-I113 PolarHBondContact O-N 3.49Å; I110-I113 PolarHBondContact O-N 3.26Å; I113-R115 PolarHBondContact O-N 3.41Å; I113-R115 VanDerWaalsContact O-N 3.1Å
114E93.2Very high74.1Confident35 Ų3578.9 Ų78.916%0.16441%0.41CS..THydrogen-bonded Turntrans-71.80.5177.1-67.7-170.2103.600112.9H88 A91 I110 R116H88-E114 IonicContact CE1-OE1 3.31Å; H88-E114 IonicContact CG-OE1 2.86Å; H88-E114 IonicContact ND1-OE1 2.69Å; H88-E114 PolarHBondContact ND1-OE1 2.86Å; A91-E114 HydrophobicContact CB-CG 3.57Å; I110-E114 HydrophobicContact CG2-CG 4.43Å; I110-E114 VanDerWaalsContact CG2-OE2 3.32Å; I110-E114 WeakPolarHBondContact CG2-OE2 3.38Å; I110-E114 PolarHBondContact O-N 3.3Å; E114-R116 HydrophobicContact CB-CG 4.02Å; E114-R116 PolarHBondContact O-N 3.43Å; E114-R116 VanDerWaalsContact O-N 3.13Å; E114-R116 IonicContact OE1-CZ 3.44Å; E114-R116 IonicContact OE1-NH2 3.29Å; E114-R116 PolarHBondContact OE1-NH2 3.37Å; E114-R116 VanDerWaalsContact OE1-NH2 3.07Å; E114-R116 IonicContact OE2-CZ 3.75Å; E114-R116 IonicContact OE2-NE 2.72Å; E114-R116 IonicContact OE2-NH1 3.56Å; E114-R116 PolarHBondContact OE2-NH1 3.32Å; E114-R116 VanDerWaalsContact OE2-NH1 3.09Å; E114-R116 IonicContact OE2-NH2 2.73Å; E114-R116 PolarHBondContact OE2-NH2 3.07Å
115R83.7Confident72.7Confident119 Ų11976 Ų7645%0.44940%0.397SS..THydrogen-bonded Turntrans53.531.7-177.9-54.1178-175.7-176.5-1.2112.1D76 E87 D111 L112 I113 G117D76-R115 IonicContact OD1-NH2 2.84Å; D76-R115 PolarHBondContact OD1-NH2 3.12Å; D76-R115 IonicContact OD2-NH2 2.78Å; E87-R115 HydrophobicContact CG-CG 4.22Å; E87-R115 IonicContact OE1-CZ 2.85Å; E87-R115 IonicContact OE1-NE 2.97Å; E87-R115 IonicContact OE1-NH1 3.87Å; E87-R115 PolarHBondContact OE1-NH1 3.31Å; D111-R115 PolarHBondContact O-N 3.2Å; L112-R115 PolarHBondContact O-N 2.96Å; L112-R115 VanDerWaalsContact O-N 3.09Å; I113-R115 PolarHBondContact O-N 3.41Å; I113-R115 VanDerWaalsContact O-N 3.1Å; R115-G117 PolarHBondContact O-N 3.25Å; R115-G117 VanDerWaalsContact O-N 3.09Å
116R65.8Low72.1Confident126 Ų12674.5 Ų74.548%0.47539%0.392SS..  trans-71.5106.7172-68177.5-179.5158.17.5106.4D111 E114 I118D111-R116 HydrophobicContact CB-CB 4.42Å; D111-R116 PolarHBondContact O-N 2.89Å; D111-R116 WeakPolarHBondContact OD1-CD 3.43Å; D111-R116 IonicContact OD1-NH1 3.25Å; D111-R116 PolarHBondContact OD1-NH1 2.92Å; D111-R116 VanDerWaalsContact OD1-NH1 3.15Å; E114-R116 HydrophobicContact CB-CG 4.02Å; E114-R116 PolarHBondContact O-N 3.43Å; E114-R116 VanDerWaalsContact O-N 3.13Å; E114-R116 IonicContact OE1-CZ 3.44Å; E114-R116 IonicContact OE1-NH2 3.29Å; E114-R116 PolarHBondContact OE1-NH2 3.37Å; E114-R116 VanDerWaalsContact OE1-NH2 3.07Å; E114-R116 IonicContact OE2-CZ 3.75Å; E114-R116 IonicContact OE2-NE 2.72Å; E114-R116 IonicContact OE2-NH1 3.56Å; E114-R116 PolarHBondContact OE2-NH1 3.32Å; E114-R116 VanDerWaalsContact OE2-NH1 3.09Å; E114-R116 IonicContact OE2-NH2 2.73Å; E114-R116 PolarHBondContact OE2-NH2 3.07Å; R116-I118 PolarHBondContact O-N 2.89Å
117G53.6Low71.9Confident51 Ų5173 Ų7353%0.52638%0.383SS..  trans-56.9114.1169.700000108.3R115 M119R115-G117 PolarHBondContact O-N 3.25Å; R115-G117 VanDerWaalsContact O-N 3.09Å; G117-M119 PolarHBondContact O-N 2.98Å; G117-M119 VanDerWaalsContact O-N 3.14Å
118I47.5Very low71.9Confident77 Ų7769.2 Ų69.240%0.39537%0.366SS..  trans-77.998168.7-56.2175000104.9D111 R116 E120D111-I118 HydrophobicContact CB-CD1 4.38Å; R116-I118 PolarHBondContact O-N 2.89Å; I118-E120 VanDerWaalsContact C-N 3.33Å; I118-E120 PolarHBondContact O-N 3.19Å
119M37.9Very low71.9Confident167 Ų16768.1 Ų68.182%0.82336%0.36SS*.  trans-65.5102159.7-77.5179.646.700106.5G117 Q121G117-M119 PolarHBondContact O-N 2.98Å; G117-M119 VanDerWaalsContact O-N 3.14Å; M119-Q121 PolarHBondContact O-N 3.45Å
120E44.2Very low71.8Confident63 Ų6369.3 Ų69.329%0.29437%0.365SS..  trans-53.7139.9163.6-70.5-166.2-170.200107.9I118 D122 G123 K125I118-E120 VanDerWaalsContact C-N 3.33Å; I118-E120 PolarHBondContact O-N 3.19Å; E120-D122 PolarHBondContact O-N 3.09Å; E120-G123 PolarHBondContact O-N 3.09Å; E120-K125 WeakPolarHBondContact OE2-CB 3.31Å; E120-K125 WeakPolarHBondContact OE2-CD 3.33Å
121Q44.6Very low71.8Confident211 Ų21169.6 Ų69.699%0.98637%0.365SS*.THydrogen-bonded Turntrans-58.3-17.4-166.4-69.4-166.6-21.400114.8M119M119-Q121 PolarHBondContact O-N 3.45Å
122D45.4Very low71.9Confident99 Ų9967.9 Ų67.953%0.52936%0.356SS..THydrogen-bonded Turntrans-94.2-6.5175.867.431.1000114.2E120 T124 K125E120-D122 PolarHBondContact O-N 3.09Å; D122-T124 WeakPolarHBondContact O-CG2 3.48Å; D122-T124 PolarHBondContact O-N 3.21Å; D122-T124 PolarHBondContact OD1-N 2.92Å; D122-T124 PolarHBondContact OD1-OG1 2.83Å; D122-K125 PolarHBondContact OD1-N 3.47Å
123G48.3Very low71.9Confident62 Ų6269 Ų6964%0.63936%0.364SS*.SBendtrans59.25.5179.200000115E120E120-G123 PolarHBondContact O-N 3.09Å
124T52.7Low71.9Confident117 Ų11769 Ų6972%0.71836%0.364SS*.  trans-106.6-25.9-172.655.50000113D122D122-T124 WeakPolarHBondContact O-CG2 3.48Å; D122-T124 PolarHBondContact O-N 3.21Å; D122-T124 PolarHBondContact OD1-N 2.92Å; D122-T124 PolarHBondContact OD1-OG1 2.83Å
125K62.4Low72.1Confident116 Ų11667.5 Ų67.550%0.50436%0.358SS..SBendtrans-93.8124.5-179.2-164.3175.5169.6-151.30111.6E120 D122 G127E120-K125 WeakPolarHBondContact OE2-CB 3.31Å; E120-K125 WeakPolarHBondContact OE2-CD 3.33Å; D122-K125 PolarHBondContact OD1-N 3.47Å; K125-G127 PolarHBondContact O-N 2.72Å
126I78Confident72.6Confident68 Ų6863.5 Ų63.535%0.34934%0.344SS..  trans-69119.9168.5-62.1178.2000107.3E130 Y131 R185 T186I126-E130 HydrophobicContact CG2-CB 3.57Å; I126-E130 HydrophobicContact CG2-CG 3.92Å; I126-Y131 HydrophobicContact CG2-CD2 4.4Å; I126-Y131 HydrophobicContact CG2-CE2 4.14Å; I126-R185 WeakPolarHBondContact CD1-O 3.49Å; I126-T186 HydrophobicContact CG2-CG2 3.64Å
127G88.6Confident74Confident6 Ų660 Ų606%0.06233%0.334CS..  trans-102.8-175.6-178.400000113.1K125 A129 E130 Y131K125-G127 PolarHBondContact O-N 2.72Å; G127-A129 PolarHBondContact O-N 3.04Å; G127-E130 WeakPolarHBondContact CA-OE2 3.31Å; G127-E130 PolarHBondContact N-OE2 2.9Å; G127-E130 PolarHBondContact O-N 3.43Å; G127-Y131 PolarHBondContact O-N 3.32Å
128D93.5Very high76.2Confident23 Ų2357.5 Ų57.512%0.12331%0.309CS..Hα-helixtrans-64-25.2179.6-67.1-13.8000112.3L62 T63 N64 L68 Y131 F132L62-D128 VanDerWaalsContact CA-OD1 3.31Å; L62-D128 WeakPolarHBondContact CA-OD1 3.3Å; T63-D128 PolarHBondContact N-OD1 3Å; T63-D128 PolarHBondContact N-OD2 3.23Å; N64-D128 WeakPolarHBondContact CA-OD2 3.4Å; N64-D128 PolarHBondContact N-OD2 2.97Å; L68-D128 HydrophobicContact CD1-CB 4.48Å; D128-Y131 PolarHBondContact O-N 3.32Å; D128-F132 WeakPolarHBondContact O-CB 3.32Å; D128-F132 PolarHBondContact O-N 3.28Å
129A93.4Very high78.5Confident15 Ų1554.3 Ų54.312%0.12429%0.293CS..Hα-helixtrans-65-39.1175.700000112.2L112 G127 F132 S133L112-A129 HydrophobicContact CD2-CB 4.1Å; G127-A129 PolarHBondContact O-N 3.04Å; A129-F132 PolarHBondContact O-N 2.71Å; A129-S133 WeakPolarHBondContact O-CB 3.38Å; A129-S133 PolarHBondContact O-N 3.45Å
130E93.7Very high81.4Confident28 Ų2846.6 Ų46.613%0.13126%0.255CS..Hα-helixtrans-65.7-44.6174.3-74.259.4-130.600111.3I126 G127 F132 S133 D134 R185 T186I126-E130 HydrophobicContact CG2-CB 3.57Å; I126-E130 HydrophobicContact CG2-CG 3.92Å; G127-E130 WeakPolarHBondContact CA-OE2 3.31Å; G127-E130 PolarHBondContact N-OE2 2.9Å; G127-E130 PolarHBondContact O-N 3.43Å; E130-F132 VanDerWaalsContact C-N 3.33Å; E130-F132 PolarHBondContact O-N 2.9Å; E130-S133 PolarHBondContact O-N 2.97Å; E130-D134 WeakPolarHBondContact O-CB 3.39Å; E130-D134 VanDerWaalsContact O-CG 3.31Å; E130-D134 PolarHBondContact O-N 3.21Å; E130-R185 HydrophobicContact CB-CB 3.86Å; E130-R185 HydrophobicContact CG-CB 3.78Å; E130-R185 HydrophobicContact CG-CG 4.44Å; E130-R185 IonicContact OE1-NH1 3.65Å; E130-T186 HydrophobicContact CB-CG2 4.03Å
131Y96Very high83.9Confident27 Ų2743.9 Ų43.911%0.10624%0.244CC..Hα-helixtrans-62.2-41174.7-83-83.1000112C58 L61 L62 I126 G127 D128 D134 L135 T186 F188 F189C58-Y131 HydrophobicContact CB-CD1 4.14Å; C58-Y131 HydrophobicContact CB-CE1 4.08Å; L61-Y131 HydrophobicContact CB-CE1 4.17Å; L61-Y131 HydrophobicContact CB-CE2 4.39Å; L61-Y131 WeakPolarHBondContact CB-OH 3.34Å; L61-Y131 HydrophobicContact CD1-CE1 4.01Å; L61-Y131 VanDerWaalsContact CD1-OH 3.31Å; L61-Y131 WeakPolarHBondContact CD1-OH 3.2Å; L62-Y131 HydrophobicContact CD2-CD1 4.06Å; L62-Y131 HydrophobicContact CD2-CD2 3.85Å; L62-Y131 HydrophobicContact CD2-CG 3.53Å; I126-Y131 HydrophobicContact CG2-CD2 4.4Å; I126-Y131 HydrophobicContact CG2-CE2 4.14Å; G127-Y131 PolarHBondContact O-N 3.32Å; D128-Y131 PolarHBondContact O-N 3.32Å; Y131-D134 PolarHBondContact O-N 2.92Å; Y131-L135 WeakPolarHBondContact O-CB 3.45Å; Y131-L135 VanDerWaalsContact O-CG 3.3Å; Y131-L135 WeakPolarHBondContact O-CG 3.32Å; Y131-L135 PolarHBondContact O-N 3.45Å; Y131-T186 HydrophobicContact CD1-CG2 3.77Å; Y131-T186 HydrophobicContact CD2-CG2 3.68Å; Y131-T186 HydrophobicContact CE1-CG2 3.81Å; Y131-T186 HydrophobicContact CE2-CG2 3.73Å; Y131-T186 HydrophobicContact CG-CG2 3.69Å; Y131-F188 HydrophobicContact CE1-CB 4.29Å; Y131-F189 HydrophobicContact CD1-CD2 4.34Å; Y131-F189 HydrophobicContact CD1-CE2 4.04Å
132F96.3Very high86.5Confident6 Ų634 Ų343%0.02620%0.198CC..Hα-helixtrans-63.5-46.4176.7-175.5-111.7000111.3L68 A71 I72 H75 L112 D128 A129 E130 D134 L135 Q136L68-F132 HydrophobicContact CD1-CB 4.23Å; L68-F132 HydrophobicContact CD2-CD2 3.82Å; L68-F132 HydrophobicContact CG-CB 4.22Å; L68-F132 HydrophobicContact CG-CD2 4.07Å; A71-F132 HydrophobicContact CB-CD2 4.23Å; A71-F132 HydrophobicContact CB-CE2 3.84Å; A71-F132 HydrophobicContact CB-CZ 4.12Å; I72-F132 HydrophobicContact CG1-CD2 4.45Å; I72-F132 HydrophobicContact CG1-CE2 4.1Å; H75-F132 HydrophobicContact CB-CE1 4.34Å; H75-F132 HydrophobicContact CB-CZ 3.64Å; H75-F132 AromaticContact CG-CZ 3.71Å; L112-F132 HydrophobicContact CD2-CB 4Å; L112-F132 HydrophobicContact CD2-CG 4.36Å; L112-F132 VanDerWaalsContact O-CE1 3.26Å; L112-F132 WeakPolarHBondContact O-CE1 3.48Å; D128-F132 WeakPolarHBondContact O-CB 3.32Å; D128-F132 PolarHBondContact O-N 3.28Å; A129-F132 PolarHBondContact O-N 2.71Å; E130-F132 VanDerWaalsContact C-N 3.33Å; E130-F132 PolarHBondContact O-N 2.9Å; F132-D134 VanDerWaalsContact C-N 3.34Å; F132-D134 PolarHBondContact O-N 3.42Å; F132-L135 WeakPolarHBondContact O-CB 3.49Å; F132-L135 PolarHBondContact O-N 2.74Å; F132-Q136 HydrophobicContact CE1-CG 4.47Å; F132-Q136 VanDerWaalsContact CE2-NE2 3.3Å; F132-Q136 HydrophobicContact CZ-CG 4.37Å; F132-Q136 WeakPolarHBondContact O-CG 3.29Å; F132-Q136 PolarHBondContact O-N 3.43Å
133S94.6Very high89Confident33 Ų3331.9 Ų31.923%0.23119%0.191CC..Hα-helixtrans-58.8-44.3174.8-176.40000112.1A129 E130 Q136 L137A129-S133 WeakPolarHBondContact O-CB 3.38Å; A129-S133 PolarHBondContact O-N 3.45Å; E130-S133 PolarHBondContact O-N 2.97Å; S133-Q136 PolarHBondContact O-N 2.81Å; S133-L137 WeakPolarHBondContact O-CG 3.31Å; S133-L137 PolarHBondContact O-N 3.16Å; S133-L137 VanDerWaalsContact O-N 3.14Å
134D96.8Very high91.4Very high0 Ų032.5 Ų32.50%018%0.178CC..Hα-helixtrans-66.8-37.4-179.8-76.7-5000112.3E130 Y131 F132 Q136 L137 A138 F184 R185 T186 F189E130-D134 WeakPolarHBondContact O-CB 3.39Å; E130-D134 VanDerWaalsContact O-CG 3.31Å; E130-D134 PolarHBondContact O-N 3.21Å; Y131-D134 PolarHBondContact O-N 2.92Å; F132-D134 VanDerWaalsContact C-N 3.34Å; F132-D134 PolarHBondContact O-N 3.42Å; D134-Q136 VanDerWaalsContact C-N 3.32Å; D134-Q136 PolarHBondContact O-N 3Å; D134-L137 PolarHBondContact O-N 3.15Å; D134-A138 WeakPolarHBondContact O-CB 3.47Å; D134-A138 PolarHBondContact O-N 3.33Å; D134-F184 HydrophobicContact CB-CD1 3.97Å; D134-F184 VanDerWaalsContact OD1-CA 3.31Å; D134-F184 WeakPolarHBondContact OD1-CA 3.45Å; D134-R185 PolarHBondContact OD1-N 2.85Å; D134-R185 PolarHBondContact OD2-N 3.36Å; D134-R185 VanDerWaalsContact OD2-N 3.17Å; D134-T186 WeakPolarHBondContact OD2-CA 3.41Å; D134-T186 VanDerWaalsContact OD2-CB 3.22Å; D134-T186 WeakPolarHBondContact OD2-CB 3.31Å; D134-T186 WeakPolarHBondContact OD2-CG2 3.46Å; D134-T186 PolarHBondContact OD2-N 3.49Å; D134-T186 PolarHBondContact OD2-OG1 2.86Å; D134-F189 HydrophobicContact CB-CB 3.84Å; D134-F189 HydrophobicContact CB-CD1 3.97Å; D134-F189 HydrophobicContact CB-CD2 3.62Å; D134-F189 HydrophobicContact CB-CE2 4.19Å; D134-F189 HydrophobicContact CB-CG 3.54Å
135L97.8Very high93.5Very high4 Ų434.6 Ų34.62%0.02118%0.179CC..Hα-helixtrans-58.3-43173.8-83.2164.8000111.9T51 L54 L68 I72 Y131 F132 A138 F189T51-L135 HydrophobicContact CG2-CB 4.07Å; T51-L135 HydrophobicContact CG2-CD2 4.21Å; L54-L135 HydrophobicContact CB-CD2 3.47Å; L54-L135 VanDerWaalsContact CB-CD2 3.47Å; L68-L135 HydrophobicContact CD1-CD1 4.29Å; L68-L135 HydrophobicContact CD2-CD1 3.66Å; I72-L135 HydrophobicContact CD1-CD1 4.4Å; Y131-L135 WeakPolarHBondContact O-CB 3.45Å; Y131-L135 VanDerWaalsContact O-CG 3.3Å; Y131-L135 WeakPolarHBondContact O-CG 3.32Å; Y131-L135 PolarHBondContact O-N 3.45Å; F132-L135 WeakPolarHBondContact O-CB 3.49Å; F132-L135 PolarHBondContact O-N 2.74Å; L135-A138 PolarHBondContact O-N 2.73Å; L135-F189 HydrophobicContact CD2-CE1 4.16Å; L135-F189 HydrophobicContact CD2-CZ 3.53Å; L135-F189 HydrophobicContact CG-CE1 4.39Å; L135-F189 HydrophobicContact CG-CE2 4.28Å; L135-F189 HydrophobicContact CG-CZ 3.67Å
136Q94.3Very high95.2Very high35 Ų3533.1 Ų33.116%0.16417%0.174CC..Hα-helixtrans-68.3-34.9177.3-57.5-43.2-39.100112.6H75 F132 S133 D134H75-Q136 PolarHBondContact NE2-OE1 2.93Å; H75-Q136 VanDerWaalsContact NE2-OE1 3.12Å; F132-Q136 HydrophobicContact CE1-CG 4.47Å; F132-Q136 VanDerWaalsContact CE2-NE2 3.3Å; F132-Q136 HydrophobicContact CZ-CG 4.37Å; F132-Q136 WeakPolarHBondContact O-CG 3.29Å; F132-Q136 PolarHBondContact O-N 3.43Å; S133-Q136 PolarHBondContact O-N 2.81Å; D134-Q136 VanDerWaalsContact C-N 3.32Å; D134-Q136 PolarHBondContact O-N 3Å
137L95.4Very high96.2Very high51 Ų5130 Ų3027%0.26716%0.158SC..Hα-helixtrans-79.9-19.8178.5-68.4173.1000113.1S133 D134 V139 I140 F184S133-L137 WeakPolarHBondContact O-CG 3.31Å; S133-L137 PolarHBondContact O-N 3.16Å; S133-L137 VanDerWaalsContact O-N 3.14Å; D134-L137 PolarHBondContact O-N 3.15Å; L137-V139 PolarHBondContact O-N 3.21Å; L137-I140 WeakPolarHBondContact O-CG1 3.45Å; L137-I140 PolarHBondContact O-N 3.25Å; L137-F184 HydrophobicContact CB-CD1 4.42Å; L137-F184 HydrophobicContact CB-CE1 3.83Å
138A97.9Very high96.7Very high0 Ų032.5 Ų32.50%017%0.168CC..G310 helixtrans-56.6-22.6-170.200000115.2L54 D134 L135 I140 G141 F189 F193L54-A138 HydrophobicContact CD1-CB 3.4Å; D134-A138 WeakPolarHBondContact O-CB 3.47Å; D134-A138 PolarHBondContact O-N 3.33Å; L135-A138 PolarHBondContact O-N 2.73Å; A138-I140 PolarHBondContact O-N 2.98Å; A138-G141 PolarHBondContact O-N 3.33Å; A138-G141 VanDerWaalsContact O-N 3.14Å; A138-F189 HydrophobicContact CB-CD1 4.07Å; A138-F189 HydrophobicContact CB-CE1 3.84Å; A138-F193 HydrophobicContact CB-CD2 4.3Å; A138-F193 HydrophobicContact CB-CE2 4.12Å; A138-F193 HydrophobicContact CB-CZ 4.38Å
139V97.5Very high96.9Very high9 Ų935.9 Ų35.96%0.05518%0.183CC..G310 helixtrans-57.1-32172.869.60000112.9F42 L137 G141 S142 Y150F42-V139 HydrophobicContact CE2-CB 4.49Å; F42-V139 HydrophobicContact CE2-CG1 4.31Å; F42-V139 HydrophobicContact CE2-CG2 4.03Å; F42-V139 HydrophobicContact CZ-CB 4.5Å; F42-V139 HydrophobicContact CZ-CG1 3.92Å; F42-V139 HydrophobicContact CZ-CG2 4.48Å; L137-V139 PolarHBondContact O-N 3.21Å; V139-G141 PolarHBondContact O-N 3.45Å; V139-S142 WeakPolarHBondContact O-CB 3.42Å; V139-S142 PolarHBondContact O-N 2.89Å; V139-S142 VanDerWaalsContact O-N 3.15Å; V139-S142 PolarHBondContact O-OG 3.14Å; V139-Y150 HydrophobicContact CG1-CD2 4.15Å; V139-Y150 HydrophobicContact CG1-CE2 4.08Å; V139-Y150 HydrophobicContact CG2-CD2 3.96Å; V139-Y150 HydrophobicContact CG2-CG 3.86Å
140I97.4Very high97.1Very high5 Ų536.4 Ų36.43%0.02618%0.182CC..G310 helixtrans-71.3-22-178.960.7156.8000112.5L137 A138 S142 Y147 Y150 L177 I183 F184 S197 N200 V201L137-I140 WeakPolarHBondContact O-CG1 3.45Å; L137-I140 PolarHBondContact O-N 3.25Å; A138-I140 PolarHBondContact O-N 2.98Å; I140-S142 VanDerWaalsContact C-N 3.32Å; I140-Y147 HydrophobicContact CB-CE2 3.85Å; I140-Y147 HydrophobicContact CG2-CE2 3.98Å; I140-Y147 WeakPolarHBondContact O-CD2 3.41Å; I140-Y150 HydrophobicContact CG2-CE1 3.95Å; I140-L177 HydrophobicContact CD1-CD1 4.14Å; I140-I183 HydrophobicContact CD1-CD1 4.45Å; I140-I183 HydrophobicContact CD1-CG2 3.61Å; I140-F184 HydrophobicContact CG1-CZ 4.32Å; I140-S197 WeakPolarHBondContact O-CA 3.38Å; I140-N200 PolarHBondContact O-ND2 3.17Å; I140-V201 HydrophobicContact CD1-CG2 4.33Å
141G98.2Very high97.3Very high6 Ų636 Ų366%0.06218%0.18CC..G310 helixtrans-90.712.4173.600000114.7A138 V139 Q196 S197A138-G141 PolarHBondContact O-N 3.33Å; A138-G141 VanDerWaalsContact O-N 3.14Å; V139-G141 PolarHBondContact O-N 3.45Å; G141-Q196 VanDerWaalsContact O-CG 3.3Å; G141-Q196 WeakPolarHBondContact O-CG 3.47Å; G141-S197 WeakPolarHBondContact CA-OG 3.16Å; G141-S197 PolarHBondContact N-OG 3.48Å
142S97.9Very high97.4Very high4 Ų441.8 Ų41.83%0.02820%0.202CC..SBendtrans-67.3170.7177.864.60000113.2V139 I140 E146 Y147 Q196 N200V139-S142 WeakPolarHBondContact O-CB 3.42Å; V139-S142 PolarHBondContact O-N 2.89Å; V139-S142 VanDerWaalsContact O-N 3.15Å; V139-S142 PolarHBondContact O-OG 3.14Å; I140-S142 VanDerWaalsContact C-N 3.32Å; S142-E146 WeakPolarHBondContact CB-OE2 3.4Å; S142-Y147 PolarHBondContact OG-N 3Å; S142-Q196 WeakPolarHBondContact O-CG 3.3Å; S142-N200 PolarHBondContact O-ND2 2.86Å
143S98.2Very high97.5Very high55 Ų5543.1 Ų43.139%0.38521%0.209SC..  trans-57.4156.4170.266.20000110.6Q145 E146 Y147S143-Q145 PolarHBondContact O-N 2.84Å; S143-E146 WeakPolarHBondContact CB-OE2 3.41Å; S143-E146 PolarHBondContact N-OE2 3.4Å; S143-E146 PolarHBondContact O-N 3.18Å; S143-E146 VanDerWaalsContact O-N 3.1Å; S143-E146 WeakPolarHBondContact OG-CB 3.18Å; S143-E146 VanDerWaalsContact OG-CD 3.24Å; S143-E146 WeakPolarHBondContact OG-CG 3.34Å; S143-E146 PolarHBondContact OG-N 2.92Å; S143-E146 PolarHBondContact OG-OE2 3.08Å; S143-Y147 WeakPolarHBondContact O-CB 3.19Å; S143-Y147 PolarHBondContact O-N 3.32Å
144E98.1Very high97.6Very high75 Ų7542.5 Ų42.535%0.3520%0.203SC..Hα-helixtrans-56-41.2-177.8-171.9168.2162.700112.1Y147 E148 K199 K203E144-Y147 PolarHBondContact O-N 2.91Å; E144-E148 WeakPolarHBondContact O-CG 3.04Å; E144-E148 PolarHBondContact O-N 3.3Å; E144-K199 IonicContact OE2-NZ 3.75Å; E144-K199 PolarHBondContact OE2-NZ 3.06Å; E144-K203 WeakPolarHBondContact OE1-CE 3.42Å; E144-K203 IonicContact OE1-NZ 3.99Å; E144-K203 PolarHBondContact OE1-NZ 3.22Å
145Q98.3Very high97.6Very high161 Ų16145.6 Ų45.675%0.75221%0.214SC*.Hα-helixtrans-62.6-45.5176.5-177.8-179.5-3.500112.7S143 Y147 E148 E149S143-Q145 PolarHBondContact O-N 2.84Å; Q145-Y147 VanDerWaalsContact C-N 3.28Å; Q145-Y147 PolarHBondContact O-N 3.45Å; Q145-E148 PolarHBondContact O-N 3.44Å; Q145-E149 PolarHBondContact O-N 3.19Å
146E98Very high97.7Very high84 Ų8449.5 Ų49.539%0.39324%0.235SC..Hα-helixtrans-65.8-34.2177.2-70.4169.5129.100111.5R50 S142 S143 E149 Y150R50-E146 IonicContact NH1-OE1 3.07Å; S142-E146 WeakPolarHBondContact CB-OE2 3.4Å; S143-E146 WeakPolarHBondContact CB-OE2 3.41Å; S143-E146 PolarHBondContact N-OE2 3.4Å; S143-E146 PolarHBondContact O-N 3.18Å; S143-E146 VanDerWaalsContact O-N 3.1Å; S143-E146 WeakPolarHBondContact OG-CB 3.18Å; S143-E146 VanDerWaalsContact OG-CD 3.24Å; S143-E146 WeakPolarHBondContact OG-CG 3.34Å; S143-E146 PolarHBondContact OG-N 2.92Å; S143-E146 PolarHBondContact OG-OE2 3.08Å; E146-E149 PolarHBondContact O-N 2.94Å; E146-Y150 WeakPolarHBondContact O-CB 3.32Å; E146-Y150 PolarHBondContact O-N 2.76Å
147Y98.6Very high97.8Very high3 Ų348.2 Ų48.21%0.01223%0.229CC..Hα-helixtrans-67.7-40.1176.7-167-95.1000111.9I140 S142 S143 E144 Q145 E149 Y150 K151 N200 E204I140-Y147 HydrophobicContact CB-CE2 3.85Å; I140-Y147 HydrophobicContact CG2-CE2 3.98Å; I140-Y147 WeakPolarHBondContact O-CD2 3.41Å; S142-Y147 PolarHBondContact OG-N 3Å; S143-Y147 WeakPolarHBondContact O-CB 3.19Å; S143-Y147 PolarHBondContact O-N 3.32Å; E144-Y147 PolarHBondContact O-N 2.91Å; Q145-Y147 VanDerWaalsContact C-N 3.28Å; Q145-Y147 PolarHBondContact O-N 3.45Å; Y147-E149 VanDerWaalsContact C-N 3.32Å; Y147-E149 PolarHBondContact O-N 2.76Å; Y147-Y150 AromaticContact CD2-CD1 3.85Å; Y147-Y150 HydrophobicContact CD2-CD1 3.85Å; Y147-Y150 HydrophobicContact CD2-CE1 4.35Å; Y147-Y150 AromaticContact CE2-CD1 3.78Å; Y147-Y150 HydrophobicContact CE2-CD1 3.78Å; Y147-Y150 AromaticContact CE2-CE1 3.81Å; Y147-Y150 HydrophobicContact CE2-CE1 3.81Å; Y147-Y150 HydrophobicContact CG-CD1 4.37Å; Y147-Y150 WeakPolarHBondContact O-CB 3.21Å; Y147-Y150 PolarHBondContact O-N 3.21Å; Y147-K151 HydrophobicContact CD1-CD 4.05Å; Y147-K151 HydrophobicContact CD1-CG 4.07Å; Y147-K151 HydrophobicContact CE1-CD 3.69Å; Y147-K151 HydrophobicContact CE1-CG 3.8Å; Y147-K151 WeakPolarHBondContact O-CG 3.35Å; Y147-K151 PolarHBondContact O-N 3.18Å; Y147-N200 HydrophobicContact CD1-CB 3.79Å; Y147-N200 HydrophobicContact CD2-CB 3.62Å; Y147-N200 WeakPolarHBondContact CD2-ND2 3.24Å; Y147-N200 HydrophobicContact CE1-CB 3.85Å; Y147-N200 HydrophobicContact CE2-CB 3.67Å; Y147-N200 HydrophobicContact CG-CB 3.68Å; Y147-E204 HydrophobicContact CE1-CB 4.13Å; Y147-E204 WeakPolarHBondContact CE1-OE2 3.45Å; Y147-E204 VanDerWaalsContact CZ-OE2 3.28Å; Y147-E204 PolarHBondContact OH-OE2 2.7Å
148E98.3Very high97.9Very high58 Ų5846.8 Ų46.827%0.27122%0.223SC..Hα-helixtrans-61.6-39.8172.7-67.4-54.8147.600112.2E144 Q145 K151 R152 K203E144-E148 WeakPolarHBondContact O-CG 3.04Å; E144-E148 PolarHBondContact O-N 3.3Å; Q145-E148 PolarHBondContact O-N 3.44Å; E148-K151 VanDerWaalsContact CD-CE 3.41Å; E148-K151 PolarHBondContact O-N 2.96Å; E148-K151 IonicContact OE1-NZ 2.6Å; E148-K151 PolarHBondContact OE1-NZ 3.12Å; E148-K151 WeakPolarHBondContact OE2-CE 3.31Å; E148-K151 IonicContact OE2-NZ 3.54Å; E148-K151 PolarHBondContact OE2-NZ 3.17Å; E148-R152 PolarHBondContact O-N 3.15Å; E148-K203 IonicContact OE1-NZ 3.68Å; E148-K203 PolarHBondContact OE1-NZ 3.3Å
149E98.1Very high97.8Very high95 Ų9551.6 Ų51.644%0.44426%0.256SS..Hα-helixtrans-66-43.6174.1-179.6164.2-160.600112.1Q145 E146 Y147 K151 R152 N153Q145-E149 PolarHBondContact O-N 3.19Å; E146-E149 PolarHBondContact O-N 2.94Å; Y147-E149 VanDerWaalsContact C-N 3.32Å; Y147-E149 PolarHBondContact O-N 2.76Å; E149-K151 PolarHBondContact O-N 3.37Å; E149-R152 PolarHBondContact O-N 3.33Å; E149-N153 WeakPolarHBondContact O-CB 3.48Å; E149-N153 VanDerWaalsContact O-CG 3.31Å; E149-N153 PolarHBondContact O-N 3.23Å; E149-N153 PolarHBondContact O-ND2 3.41Å
150Y97.9Very high97.7Very high25 Ų2555.6 Ų55.610%0.09827%0.273CS..Hα-helixtrans-54.6-50.3172.1155.6-113.7000111.8F42 V139 I140 E146 Y147 R152 N153 L154 R170F42-Y150 HydrophobicContact CD1-CD2 4.44Å; F42-Y150 HydrophobicContact CD1-CE2 4.26Å; F42-Y150 AromaticContact CD2-CD2 3.7Å; F42-Y150 HydrophobicContact CD2-CD2 3.7Å; F42-Y150 HydrophobicContact CD2-CE2 4.3Å; F42-Y150 HydrophobicContact CE1-CD2 4.26Å; F42-Y150 AromaticContact CE1-CE2 3.92Å; F42-Y150 HydrophobicContact CE1-CE2 3.92Å; F42-Y150 AromaticContact CE2-CD2 3.48Å; F42-Y150 HydrophobicContact CE2-CD2 3.48Å; F42-Y150 VanDerWaalsContact CE2-CD2 3.48Å; F42-Y150 AromaticContact CE2-CE2 3.96Å; F42-Y150 HydrophobicContact CE2-CE2 3.96Å; F42-Y150 HydrophobicContact CG-CD2 4.2Å; F42-Y150 HydrophobicContact CG-CE2 4.46Å; F42-Y150 AromaticContact CZ-CD2 3.8Å; F42-Y150 HydrophobicContact CZ-CD2 3.8Å; F42-Y150 AromaticContact CZ-CE2 3.77Å; F42-Y150 HydrophobicContact CZ-CE2 3.77Å; V139-Y150 HydrophobicContact CG1-CD2 4.15Å; V139-Y150 HydrophobicContact CG1-CE2 4.08Å; V139-Y150 HydrophobicContact CG2-CD2 3.96Å; V139-Y150 HydrophobicContact CG2-CG 3.86Å; I140-Y150 HydrophobicContact CG2-CE1 3.95Å; E146-Y150 WeakPolarHBondContact O-CB 3.32Å; E146-Y150 PolarHBondContact O-N 2.76Å; Y147-Y150 AromaticContact CD2-CD1 3.85Å; Y147-Y150 HydrophobicContact CD2-CD1 3.85Å; Y147-Y150 HydrophobicContact CD2-CE1 4.35Å; Y147-Y150 AromaticContact CE2-CD1 3.78Å; Y147-Y150 HydrophobicContact CE2-CD1 3.78Å; Y147-Y150 AromaticContact CE2-CE1 3.81Å; Y147-Y150 HydrophobicContact CE2-CE1 3.81Å; Y147-Y150 HydrophobicContact CG-CD1 4.37Å; Y147-Y150 WeakPolarHBondContact O-CB 3.21Å; Y147-Y150 PolarHBondContact O-N 3.21Å; Y150-R152 PolarHBondContact O-N 3.04Å; Y150-N153 PolarHBondContact O-N 3.23Å; Y150-L154 HydrophobicContact CE2-CB 4.28Å; Y150-L154 HydrophobicContact CE2-CD2 3.95Å; Y150-L154 WeakPolarHBondContact O-CB 3.5Å; Y150-L154 PolarHBondContact O-N 2.88Å; Y150-R170 VanDerWaalsContact CE1-NH2 3.27Å; Y150-R170 PolarHBondContact OH-NH1 2.85Å; Y150-R170 PolarHBondContact OH-NH2 3.41Å; Y150-R170 VanDerWaalsContact OH-NH2 3.16Å
151K97.8Very high97.6Very high20 Ų2056.6 Ų56.69%0.08728%0.279CS..Hα-helixtrans-58.2-47.4178.2-75-170.7-57.6-171.70112.1Y147 E148 E149 L154 R155 E204 E207Y147-K151 HydrophobicContact CD1-CD 4.05Å; Y147-K151 HydrophobicContact CD1-CG 4.07Å; Y147-K151 HydrophobicContact CE1-CD 3.69Å; Y147-K151 HydrophobicContact CE1-CG 3.8Å; Y147-K151 WeakPolarHBondContact O-CG 3.35Å; Y147-K151 PolarHBondContact O-N 3.18Å; E148-K151 VanDerWaalsContact CD-CE 3.41Å; E148-K151 PolarHBondContact O-N 2.96Å; E148-K151 IonicContact OE1-NZ 2.6Å; E148-K151 PolarHBondContact OE1-NZ 3.12Å; E148-K151 WeakPolarHBondContact OE2-CE 3.31Å; E148-K151 IonicContact OE2-NZ 3.54Å; E148-K151 PolarHBondContact OE2-NZ 3.17Å; E149-K151 PolarHBondContact O-N 3.37Å; K151-L154 PolarHBondContact O-N 3.1Å; K151-R155 WeakPolarHBondContact O-CB 3.45Å; K151-R155 PolarHBondContact O-N 3.33Å; K151-E204 HydrophobicContact CD-CB 4.09Å; K151-E204 HydrophobicContact CD-CG 3.57Å; K151-E207 IonicContact NZ-OE1 3.83Å; K151-E207 IonicContact NZ-OE2 3.43Å; K151-E207 PolarHBondContact NZ-OE2 3.01Å
152R98Very high97.6Very high149 Ų14961.3 Ų61.356%0.56230%0.303SS*.Hα-helixtrans-60.6-48.2178.3-79.9-171.1-60.4112.63.5111.5E148 E149 Y150 R155 L156E148-R152 PolarHBondContact O-N 3.15Å; E149-R152 PolarHBondContact O-N 3.33Å; Y150-R152 PolarHBondContact O-N 3.04Å; R152-R155 PolarHBondContact O-N 2.95Å; R152-L156 WeakPolarHBondContact O-CG 3.45Å; R152-L156 PolarHBondContact O-N 3.33Å; R152-L156 VanDerWaalsContact O-N 3.11Å
153N98.3Very high97.5Very high33 Ų3366.7 Ų66.718%0.17633%0.331CS..Hα-helixtrans-64.6-43.1-178.3-73-16.3000111.4H41 F42 E149 Y150 R155 L156 E157H41-N153 HydrophobicContact CB-CB 4.07Å; H41-N153 WeakPolarHBondContact CB-O 3.32Å; H41-N153 WeakPolarHBondContact O-CB 3.11Å; H41-N153 PolarHBondContact O-ND2 2.98Å; F42-N153 HydrophobicContact CB-CB 3.95Å; E149-N153 WeakPolarHBondContact O-CB 3.48Å; E149-N153 VanDerWaalsContact O-CG 3.31Å; E149-N153 PolarHBondContact O-N 3.23Å; E149-N153 PolarHBondContact O-ND2 3.41Å; Y150-N153 PolarHBondContact O-N 3.23Å; N153-R155 PolarHBondContact O-N 3.41Å; N153-L156 WeakPolarHBondContact O-CB 3.42Å; N153-L156 PolarHBondContact O-N 2.82Å; N153-E157 PolarHBondContact O-N 3.23Å
154L97.1Very high97.4Very high21 Ų2168.7 Ų68.711%0.1134%0.337CS..Hα-helixtrans-62.8-41.9174.8-177.162.8000111.9F42 Y150 K151 L156 E157 C158F42-L154 HydrophobicContact CD1-CD1 4.34Å; Y150-L154 HydrophobicContact CE2-CB 4.28Å; Y150-L154 HydrophobicContact CE2-CD2 3.95Å; Y150-L154 WeakPolarHBondContact O-CB 3.5Å; Y150-L154 PolarHBondContact O-N 2.88Å; K151-L154 PolarHBondContact O-N 3.1Å; L154-L156 PolarHBondContact O-N 3.38Å; L154-E157 PolarHBondContact O-N 3.04Å; L154-E157 VanDerWaalsContact O-N 3.13Å; L154-C158 PolarHBondContact O-N 3.3Å; L154-C158 VanDerWaalsContact O-N 3.12Å
155R97.5Very high97.3Very high64 Ų6466.7 Ų66.724%0.24233%0.333CS..Hα-helixtrans-58.6-37.3177177.264.5-166.9111.8-14.6112.3K151 R152 N153 C158 L161 N163K151-R155 WeakPolarHBondContact O-CB 3.45Å; K151-R155 PolarHBondContact O-N 3.33Å; R152-R155 PolarHBondContact O-N 2.95Å; N153-R155 PolarHBondContact O-N 3.41Å; R155-C158 PolarHBondContact NH1-O 3.26Å; R155-C158 CarbonylContact O-C 3.54Å; R155-C158 PolarHBondContact O-N 3.09Å; R155-L161 PolarHBondContact NH1-O 3.09Å; R155-L161 PolarHBondContact NH2-O 2.78Å; R155-N163 PolarHBondContact NH2-OD1 3.01Å
156L97.9Very high97.3Very high86 Ų8660 Ų6045%0.4530%0.302SS..Hα-helixtrans-66.3-35.3177.6-69.1171.7000112.5H41 R152 N153 L154 C159H41-L156 HydrophobicContact CB-CB 4.08Å; H41-L156 HydrophobicContact CB-CD1 4.27Å; H41-L156 VanDerWaalsContact CD2-CB 3.44Å; H41-L156 WeakPolarHBondContact CD2-CB 3.12Å; R152-L156 WeakPolarHBondContact O-CG 3.45Å; R152-L156 PolarHBondContact O-N 3.33Å; R152-L156 VanDerWaalsContact O-N 3.11Å; N153-L156 WeakPolarHBondContact O-CB 3.42Å; N153-L156 PolarHBondContact O-N 2.82Å; L154-L156 PolarHBondContact O-N 3.38Å; L156-C159 VanDerWaalsContact O-CB 3.31Å; L156-C159 WeakPolarHBondContact O-CB 3.46Å; L156-C159 PolarHBondContact O-N 2.85Å
157E97.6Very high97.2Very high9 Ų959 Ų594%0.04229%0.294CS..Hα-helixtrans-73.4-29.7175.4-60.3-171.1169.200112.4R40 H41 F42 H43 Y79 A81 N153 L154 C159R40-E157 WeakPolarHBondContact CA-OE1 3.24Å; H41-E157 HydrophobicContact CB-CG 4.07Å; H41-E157 PolarHBondContact N-OE1 3.25Å; F42-E157 WeakPolarHBondContact CA-OE1 3.35Å; F42-E157 PolarHBondContact N-OE1 3.03Å; H43-E157 IonicContact CE1-OE2 2.93Å; H43-E157 PolarHBondContact CE1-OE2 2.86Å; H43-E157 IonicContact CG-OE2 2.86Å; H43-E157 PolarHBondContact N-OE1 3.26Å; H43-E157 IonicContact ND1-OE1 2.65Å; H43-E157 IonicContact ND1-OE2 3.88Å; H43-E157 PolarHBondContact ND1-OE2 2.69Å; Y79-E157 VanDerWaalsContact CE1-OE2 3.27Å; Y79-E157 WeakPolarHBondContact CE1-OE2 3.36Å; Y79-E157 VanDerWaalsContact CZ-OE2 3.27Å; Y79-E157 PolarHBondContact OH-OE2 2.93Å; A81-E157 WeakPolarHBondContact CB-O 3.27Å; N153-E157 PolarHBondContact O-N 3.23Å; L154-E157 PolarHBondContact O-N 3.04Å; L154-E157 VanDerWaalsContact O-N 3.13Å; E157-C159 PolarHBondContact O-N 3.24Å
158C96.4Very high97.1Very high21 Ų2161.8 Ų61.814%0.14232%0.318CS..THydrogen-bonded Turntrans-85.125.4173.9-57.60000113.3L154 R155 H160 L161 Y166L154-C158 PolarHBondContact O-N 3.3Å; L154-C158 VanDerWaalsContact O-N 3.12Å; R155-C158 PolarHBondContact NH1-O 3.26Å; R155-C158 CarbonylContact O-C 3.54Å; R155-C158 PolarHBondContact O-N 3.09Å; C158-H160 PolarHBondContact O-N 3.15Å; C158-L161 HydrophobicContact CB-CD1 4.32Å; C158-L161 WeakPolarHBondContact O-CB 3.18Å; C158-L161 PolarHBondContact O-N 3.06Å; C158-Y166 HydrophobicContact CB-CD2 3.57Å; C158-Y166 HydrophobicContact CB-CE2 3.74Å
159C95.6Very high97Very high101 Ų10164.5 Ų64.568%0.68233%0.33SS*.THydrogen-bonded Turntrans-62.8-21.4-17763.30000114.1L156 E157 L161L156-C159 VanDerWaalsContact O-CB 3.31Å; L156-C159 WeakPolarHBondContact O-CB 3.46Å; L156-C159 PolarHBondContact O-N 2.85Å; E157-C159 PolarHBondContact O-N 3.24Å; C159-L161 PolarHBondContact O-N 3.16Å
160H95.7Very high97Very high92 Ų9260.6 Ų60.643%0.42631%0.312SS..THydrogen-bonded Turntrans-66.3-18172.563.7-87.8000113T82 C158T82-H160 HydrophobicContact CG2-CB 4.23Å; C158-H160 PolarHBondContact O-N 3.15Å
161L96.9Very high97Very high26 Ų2660.4 Ų60.414%0.13631%0.312CS..SBendtrans-92.7132.7173.5-57.5179.4000110.9R155 C158 C159 A165 Y166R155-L161 PolarHBondContact NH1-O 3.09Å; R155-L161 PolarHBondContact NH2-O 2.78Å; C158-L161 HydrophobicContact CB-CD1 4.32Å; C158-L161 WeakPolarHBondContact O-CB 3.18Å; C158-L161 PolarHBondContact O-N 3.06Å; C159-L161 PolarHBondContact O-N 3.16Å; L161-A165 HydrophobicContact CB-CB 4.32Å; L161-A165 HydrophobicContact CD2-CB 4.35Å; L161-Y166 HydrophobicContact CD1-CD2 4.43Å
162N96.8Very high97Very high106 Ų10667 Ų6757%0.56734%0.341SS*.  trans-64.9166.2163.870.733.9000110.8D164 A165 Y166N162-D164 VanDerWaalsContact C-N 3.34Å; N162-D164 PolarHBondContact O-N 3.32Å; N162-D164 PolarHBondContact OD1-N 3.12Å; N162-A165 PolarHBondContact O-N 2.92Å; N162-A165 VanDerWaalsContact OD1-CB 3.23Å; N162-A165 WeakPolarHBondContact OD1-CB 3.32Å; N162-A165 PolarHBondContact OD1-N 3.24Å; N162-Y166 WeakPolarHBondContact O-CB 3.28Å; N162-Y166 PolarHBondContact O-N 2.96Å
163N95.8Very high96.8Very high116 Ų11664.3 Ų64.362%0.6234%0.337SS*.Hα-helixtrans-60.7-40.7-173.6-70.4-9.6000112.9R155 R167R155-N163 PolarHBondContact NH2-OD1 3.01Å; N163-R167 WeakPolarHBondContact O-CB 3.44Å; N163-R167 PolarHBondContact O-N 3.37Å
164D96.3Very high96.8Very high98 Ų9862.8 Ų62.852%0.52433%0.329SS..Hα-helixtrans-65.2-44.6179.3-71.2-36.7000112.4N162 R167 A168N162-D164 VanDerWaalsContact C-N 3.34Å; N162-D164 PolarHBondContact O-N 3.32Å; N162-D164 PolarHBondContact OD1-N 3.12Å; D164-R167 PolarHBondContact O-N 2.96Å; D164-R167 IonicContact OD1-CZ 3.67Å; D164-R167 IonicContact OD1-NH2 3.34Å; D164-R167 PolarHBondContact OD1-NH2 3.32Å; D164-A168 VanDerWaalsContact O-CB 3.29Å; D164-A168 WeakPolarHBondContact O-CB 3.49Å; D164-A168 PolarHBondContact O-N 3.5Å
165A97Very high96.8Very high32 Ų3266.5 Ų66.526%0.26434%0.344SS..Hα-helixtrans-65.5-45.717800000111.3L161 N162 A168 Q169L161-A165 HydrophobicContact CB-CB 4.32Å; L161-A165 HydrophobicContact CD2-CB 4.35Å; N162-A165 PolarHBondContact O-N 2.92Å; N162-A165 VanDerWaalsContact OD1-CB 3.23Å; N162-A165 WeakPolarHBondContact OD1-CB 3.32Å; N162-A165 PolarHBondContact OD1-N 3.24Å; A165-A168 PolarHBondContact O-N 3.19Å; A165-Q169 WeakPolarHBondContact O-CB 3.35Å; A165-Q169 VanDerWaalsContact O-CG 3.32Å; A165-Q169 WeakPolarHBondContact O-CG 3.35Å; A165-Q169 PolarHBondContact O-N 2.93Å
166Y97Very high96.8Very high22 Ų2267 Ų679%0.08636%0.355CS..Hα-helixtrans-59.2-51.4175.6177.4-95.8000110.9C158 L161 N162 A168 Q169 R170C158-Y166 HydrophobicContact CB-CD2 3.57Å; C158-Y166 HydrophobicContact CB-CE2 3.74Å; L161-Y166 HydrophobicContact CD1-CD2 4.43Å; N162-Y166 WeakPolarHBondContact O-CB 3.28Å; N162-Y166 PolarHBondContact O-N 2.96Å; Y166-A168 PolarHBondContact O-N 3.28Å; Y166-Q169 PolarHBondContact O-N 3Å; Y166-R170 HydrophobicContact CE1-CB 4.23Å; Y166-R170 HydrophobicContact CE1-CG 4.3Å; Y166-R170 WeakPolarHBondContact O-CB 3.49Å; Y166-R170 PolarHBondContact O-N 3.49Å
167R96.4Very high96.6Very high62 Ų6264.1 Ų64.123%0.23434%0.34CS..Hα-helixtrans-57.2-47.7179.5175.8175.260.2175-4.7111.6N163 D164 R170 L171 L208 E211 K212N163-R167 WeakPolarHBondContact O-CB 3.44Å; N163-R167 PolarHBondContact O-N 3.37Å; D164-R167 PolarHBondContact O-N 2.96Å; D164-R167 IonicContact OD1-CZ 3.67Å; D164-R167 IonicContact OD1-NH2 3.34Å; D164-R167 PolarHBondContact OD1-NH2 3.32Å; R167-R170 PolarHBondContact O-N 3.3Å; R167-L171 HydrophobicContact CG-CD1 3.85Å; R167-L171 HydrophobicContact CG-CG 4.44Å; R167-L171 VanDerWaalsContact O-CB 3.27Å; R167-L171 WeakPolarHBondContact O-CB 3.4Å; R167-L171 WeakPolarHBondContact O-CG 3.5Å; R167-L171 PolarHBondContact O-N 3.2Å; R167-L208 WeakPolarHBondContact CD-O 3.12Å; R167-L208 HydrophobicContact CG-CB 4.39Å; R167-L208 HydrophobicContact CG-CD2 4.3Å; R167-E211 PolarHBondContact NH1-O 2.93Å; R167-K212 PolarHBondContact NH1-OXT 3.21Å
168A97Very high96.5Very high62 Ų6265.7 Ų65.751%0.51235%0.348SS..Hα-helixtrans-62-45.9-18000000112.2D164 A165 Y166 K172D164-A168 VanDerWaalsContact O-CB 3.29Å; D164-A168 WeakPolarHBondContact O-CB 3.49Å; D164-A168 PolarHBondContact O-N 3.5Å; A165-A168 PolarHBondContact O-N 3.19Å; Y166-A168 PolarHBondContact O-N 3.28Å; A168-K172 WeakPolarHBondContact O-CB 3.48Å; A168-K172 PolarHBondContact O-N 3.45Å; A168-K172 VanDerWaalsContact O-N 3.12Å
169Q96.1Very high96.4Very high114 Ų11471.7 Ų71.753%0.53338%0.378SS..Hα-helixtrans-66.2-44.6178-69.9-177.334.600111.7A165 Y166 K172 L173A165-Q169 WeakPolarHBondContact O-CB 3.35Å; A165-Q169 VanDerWaalsContact O-CG 3.32Å; A165-Q169 WeakPolarHBondContact O-CG 3.35Å; A165-Q169 PolarHBondContact O-N 2.93Å; Y166-Q169 PolarHBondContact O-N 3Å; Q169-K172 PolarHBondContact O-N 3.24Å; Q169-L173 PolarHBondContact O-N 3.05Å; Q169-L173 VanDerWaalsContact O-N 3.08Å
170R97.3Very high96.2Very high13 Ų1370.2 Ų70.25%0.04936%0.362CS..Hα-helixtrans-64.7-47.1-179.1-170.762.5179.5171.73.2111.5Y150 Y166 R167 K172 L173 L174 E204 L208Y150-R170 VanDerWaalsContact CE1-NH2 3.27Å; Y150-R170 PolarHBondContact OH-NH1 2.85Å; Y150-R170 PolarHBondContact OH-NH2 3.41Å; Y150-R170 VanDerWaalsContact OH-NH2 3.16Å; Y166-R170 HydrophobicContact CE1-CB 4.23Å; Y166-R170 HydrophobicContact CE1-CG 4.3Å; Y166-R170 WeakPolarHBondContact O-CB 3.49Å; Y166-R170 PolarHBondContact O-N 3.49Å; R167-R170 PolarHBondContact O-N 3.3Å; R170-K172 VanDerWaalsContact C-N 3.31Å; R170-K172 PolarHBondContact O-N 3.23Å; R170-L173 PolarHBondContact O-N 3.48Å; R170-L174 HydrophobicContact CG-CD1 3.94Å; R170-L174 HydrophobicContact CG-CG 4.41Å; R170-L174 VanDerWaalsContact O-CG 3.25Å; R170-L174 WeakPolarHBondContact O-CG 3.5Å; R170-L174 PolarHBondContact O-N 2.98Å; R170-E204 WeakPolarHBondContact CG-OE1 3.49Å; R170-E204 IonicContact CZ-OE1 2.78Å; R170-E204 IonicContact CZ-OE2 3.89Å; R170-E204 IonicContact NE-OE1 2.96Å; R170-E204 PolarHBondContact NE-OE1 3.34Å; R170-E204 IonicContact NE-OE2 3.91Å; R170-E204 IonicContact NH2-OE1 3.21Å; R170-E204 PolarHBondContact NH2-OE1 3.47Å; R170-E204 IonicContact NH2-OE2 2.94Å; R170-E204 PolarHBondContact NH2-OE2 2.68Å; R170-L208 HydrophobicContact CB-CD1 4.1Å; R170-L208 HydrophobicContact CG-CD1 3.7Å
171L98Very high96.1Very high22 Ų2271.2 Ų71.212%0.11538%0.377CS..Hα-helixtrans-57.9-42174.3-81.7172.2000112.4R167 K175 I205 L208 L209R167-L171 HydrophobicContact CG-CD1 3.85Å; R167-L171 HydrophobicContact CG-CG 4.44Å; R167-L171 VanDerWaalsContact O-CB 3.27Å; R167-L171 WeakPolarHBondContact O-CB 3.4Å; R167-L171 WeakPolarHBondContact O-CG 3.5Å; R167-L171 PolarHBondContact O-N 3.2Å; L171-K175 WeakPolarHBondContact O-CB 3.46Å; L171-K175 VanDerWaalsContact O-CG 3.28Å; L171-K175 WeakPolarHBondContact O-CG 3.24Å; L171-K175 PolarHBondContact O-N 3.25Å; L171-I205 HydrophobicContact CD2-CB 4.33Å; L171-I205 HydrophobicContact CD2-CG1 4.28Å; L171-I205 HydrophobicContact CD2-CG2 4.08Å; L171-L208 HydrophobicContact CD1-CB 4.25Å; L171-L208 HydrophobicContact CD2-CB 3.72Å; L171-L208 HydrophobicContact CD2-CD1 4.11Å; L171-L208 HydrophobicContact CG-CB 3.87Å; L171-L208 HydrophobicContact CG-CD1 4.05Å; L171-L209 HydrophobicContact CD1-CD2 3.98Å; L171-L209 HydrophobicContact CD2-CD2 4.38Å; L171-L209 HydrophobicContact CD2-CG 4.22Å
172K97.6Very high96Very high159 Ų15973.4 Ų73.469%0.69139%0.389SS*.Hα-helixtrans-60.3-47177.7-177.7-179.4177-176.20111.3A168 Q169 R170 T176A168-K172 WeakPolarHBondContact O-CB 3.48Å; A168-K172 PolarHBondContact O-N 3.45Å; A168-K172 VanDerWaalsContact O-N 3.12Å; Q169-K172 PolarHBondContact O-N 3.24Å; R170-K172 VanDerWaalsContact C-N 3.31Å; R170-K172 PolarHBondContact O-N 3.23Å; K172-T176 WeakPolarHBondContact O-CB 3.37Å; K172-T176 PolarHBondContact O-N 3.3Å; K172-T176 VanDerWaalsContact O-N 3.11Å; K172-T176 PolarHBondContact O-OG1 2.89Å
173L95.4Very high95.9Very high92 Ų9268.7 Ų68.748%0.48236%0.364SS..Hα-helixtrans-61.9-51178.6179.765.1000111.4Q169 R170 K175 T176 L177Q169-L173 PolarHBondContact O-N 3.05Å; Q169-L173 VanDerWaalsContact O-N 3.08Å; R170-L173 PolarHBondContact O-N 3.48Å; L173-K175 PolarHBondContact O-N 3.13Å; L173-T176 WeakPolarHBondContact O-CB 3.48Å; L173-T176 PolarHBondContact O-N 3Å; L173-T176 VanDerWaalsContact O-N 3.14Å; L173-L177 PolarHBondContact O-N 3.05Å
174L98Very high95.9Very high0 Ų063.1 Ų63.10%033%0.334CS..Hα-helixtrans-62.4-43.2-177.6-65.9172.7000112.4R170 T176 L177 L178 V201 E204 I205 L208R170-L174 HydrophobicContact CG-CD1 3.94Å; R170-L174 HydrophobicContact CG-CG 4.41Å; R170-L174 VanDerWaalsContact O-CG 3.25Å; R170-L174 WeakPolarHBondContact O-CG 3.5Å; R170-L174 PolarHBondContact O-N 2.98Å; L174-T176 VanDerWaalsContact C-N 3.29Å; L174-T176 PolarHBondContact O-N 3.33Å; L174-L177 WeakPolarHBondContact O-CB 3.42Å; L174-L177 PolarHBondContact O-N 3.42Å; L174-L178 PolarHBondContact O-N 3.35Å; L174-V201 HydrophobicContact CB-CG1 3.95Å; L174-V201 HydrophobicContact CD2-CB 4.47Å; L174-V201 HydrophobicContact CD2-CG1 3.98Å; L174-V201 HydrophobicContact CD2-CG2 4.14Å; L174-E204 HydrophobicContact CD1-CB 4Å; L174-E204 VanDerWaalsContact CD1-CD 3.4Å; L174-E204 HydrophobicContact CD1-CG 3.56Å; L174-I205 HydrophobicContact CB-CD1 3.91Å; L174-I205 HydrophobicContact CB-CG1 3.7Å; L174-I205 HydrophobicContact CD1-CG1 4.13Å; L174-L208 HydrophobicContact CD1-CD1 3.85Å
175K97.8Very high95.8Very high100 Ų10064.4 Ų64.444%0.43533%0.331SS..Hα-helixtrans-62.2-39175.2-73.1-179.8179.1-176.40111.5L171 L173 L177 L178 L179 I205L171-K175 WeakPolarHBondContact O-CB 3.46Å; L171-K175 VanDerWaalsContact O-CG 3.28Å; L171-K175 WeakPolarHBondContact O-CG 3.24Å; L171-K175 PolarHBondContact O-N 3.25Å; L173-K175 PolarHBondContact O-N 3.13Å; K175-L177 VanDerWaalsContact C-N 3.32Å; K175-L177 PolarHBondContact O-N 2.99Å; K175-L178 PolarHBondContact O-N 2.86Å; K175-L179 WeakPolarHBondContact O-CG 3.46Å; K175-L179 PolarHBondContact O-N 3.09Å; K175-L179 VanDerWaalsContact O-N 3.16Å; K175-I205 HydrophobicContact CG-CD1 4.04Å
176T95.5Very high95.7Very high75 Ų7562.9 Ų62.946%0.4632%0.319SS..Hα-helixtrans-62.3-39.9176.4-55.50000111.5K172 L173 L174 L178 L179K172-T176 WeakPolarHBondContact O-CB 3.37Å; K172-T176 PolarHBondContact O-N 3.3Å; K172-T176 VanDerWaalsContact O-N 3.11Å; K172-T176 PolarHBondContact O-OG1 2.89Å; L173-T176 WeakPolarHBondContact O-CB 3.48Å; L173-T176 PolarHBondContact O-N 3Å; L173-T176 VanDerWaalsContact O-N 3.14Å; L174-T176 VanDerWaalsContact C-N 3.29Å; L174-T176 PolarHBondContact O-N 3.33Å; T176-L178 VanDerWaalsContact C-N 3.32Å; T176-L178 PolarHBondContact O-N 3.43Å; T176-L179 PolarHBondContact O-N 3.35Å
177L94.4Very high95.7Very high25 Ų2566.2 Ų66.213%0.13134%0.338CS..Hα-helixtrans-63.3-34.5174.9-68.4174.4000113.1I140 L173 L174 K175 I180 I183I140-L177 HydrophobicContact CD1-CD1 4.14Å; L173-L177 PolarHBondContact O-N 3.05Å; L174-L177 WeakPolarHBondContact O-CB 3.42Å; L174-L177 PolarHBondContact O-N 3.42Å; K175-L177 VanDerWaalsContact C-N 3.32Å; K175-L177 PolarHBondContact O-N 2.99Å; L177-I180 HydrophobicContact CD2-CD1 4.34Å; L177-I180 WeakPolarHBondContact O-CG1 3.35Å; L177-I183 HydrophobicContact CB-CD1 4.48Å; L177-I183 WeakPolarHBondContact O-CG1 3.45Å
178L95.5Very high95.7Very high41 Ų4165.3 Ų65.322%0.21534%0.336CS..Hα-helixtrans-77.3-21.4177.5-65.6-171.6000113.6L174 K175 T176 R198 V201 Q202 I205L174-L178 PolarHBondContact O-N 3.35Å; K175-L178 PolarHBondContact O-N 2.86Å; T176-L178 VanDerWaalsContact C-N 3.32Å; T176-L178 PolarHBondContact O-N 3.43Å; L178-R198 HydrophobicContact CD2-CB 4.33Å; L178-R198 HydrophobicContact CD2-CG 4.09Å; L178-R198 PolarHBondContact O-NH1 3.09Å; L178-V201 HydrophobicContact CD1-CG1 4.02Å; L178-V201 HydrophobicContact CD2-CB 4.11Å; L178-V201 HydrophobicContact CD2-CG1 3.68Å; L178-V201 HydrophobicContact CG-CG1 3.6Å; L178-Q202 HydrophobicContact CD1-CB 4.41Å; L178-I205 HydrophobicContact CD1-CD1 3.58Å; L178-I205 HydrophobicContact CG-CD1 4.29Å
179L95.1Very high95.8Very high148 Ų14862.3 Ų62.378%0.77531%0.312SS*.Hα-helixtrans-75.9-25.5177.8-71.3173.7000113.5K175 T176K175-L179 WeakPolarHBondContact O-CG 3.46Å; K175-L179 PolarHBondContact O-N 3.09Å; K175-L179 VanDerWaalsContact O-N 3.16Å; T176-L179 PolarHBondContact O-N 3.35Å
180I91.7Very high95.8Very high69 Ų6960.2 Ų60.235%0.35430%0.299SS..SBendtrans-79.4140.7178.454.8175.2000111L177 N182 I183 R198L177-I180 HydrophobicContact CD2-CD1 4.34Å; L177-I180 WeakPolarHBondContact O-CG1 3.35Å; I180-N182 VanDerWaalsContact C-N 3.33Å; I180-N182 PolarHBondContact O-N 2.86Å; I180-I183 HydrophobicContact CD1-CG1 4.49Å; I180-I183 HydrophobicContact CG1-CG1 4.49Å; I180-R198 PolarHBondContact O-NH2 3.46Å
181P93.7Very high95.9Very high114 Ų11467.6 Ų67.674%0.7433%0.334SS*.SBendtrans-61.4-36.8-177.1-26.935.1000114.5R198P181-R198 PolarHBondContact O-NH2 3.49Å
182N94.2Very high95.9Very high72 Ų7269.8 Ų69.839%0.38535%0.345SS..  trans-131.8125.5174.1-57.2-71.5000108I180 F184 R190I180-N182 VanDerWaalsContact C-N 3.33Å; I180-N182 PolarHBondContact O-N 2.86Å; N182-F184 VanDerWaalsContact C-N 3.33Å; N182-F184 WeakPolarHBondContact CB-O 3.17Å; N182-R190 HydrophobicContact CB-CG 4.31Å
183I94.7Very high95.9Very high6 Ų663.2 Ų63.23%0.03132%0.317CS..SBendtrans-67.8-41.4172.7-68.6173.9000109.3I140 L177 I180 E194 R198I140-I183 HydrophobicContact CD1-CD1 4.45Å; I140-I183 HydrophobicContact CD1-CG2 3.61Å; L177-I183 HydrophobicContact CB-CD1 4.48Å; L177-I183 WeakPolarHBondContact O-CG1 3.45Å; I180-I183 HydrophobicContact CD1-CG1 4.49Å; I180-I183 HydrophobicContact CG1-CG1 4.49Å; I183-E194 WeakPolarHBondContact CB-OE2 3.29Å; I183-E194 PolarHBondContact N-OE1 3.1Å; I183-E194 PolarHBondContact N-OE2 3.28Å; I183-R198 HydrophobicContact CD1-CG 3.89Å
184F96.1Very high96.1Very high0 Ų059.7 Ų59.70%030%0.298CS..SBendtrans-94.5138177.3-60.4-80.9000111.6D134 L137 I140 N182 F189 R190 F193 E194 S197D134-F184 HydrophobicContact CB-CD1 3.97Å; D134-F184 VanDerWaalsContact OD1-CA 3.31Å; D134-F184 WeakPolarHBondContact OD1-CA 3.45Å; L137-F184 HydrophobicContact CB-CD1 4.42Å; L137-F184 HydrophobicContact CB-CE1 3.83Å; I140-F184 HydrophobicContact CG1-CZ 4.32Å; N182-F184 VanDerWaalsContact C-N 3.33Å; N182-F184 WeakPolarHBondContact CB-O 3.17Å; F184-F189 HydrophobicContact CB-CB 3.82Å; F184-F189 HydrophobicContact CD1-CB 3.67Å; F184-F189 HydrophobicContact CD1-CD1 4.36Å; F184-F189 HydrophobicContact CD1-CG 4.37Å; F184-F189 HydrophobicContact CE1-CB 4.46Å; F184-F189 HydrophobicContact CE1-CD1 4.47Å; F184-F189 HydrophobicContact CG-CB 3.82Å; F184-R190 HydrophobicContact CB-CG 3.82Å; F184-R190 VanDerWaalsContact O-CG 3.25Å; F184-R190 WeakPolarHBondContact O-CG 3.27Å; F184-R190 PolarHBondContact O-NE 3.39Å; F184-F193 HydrophobicContact CD2-CB 4.06Å; F184-F193 HydrophobicContact CE1-CB 4.21Å; F184-F193 HydrophobicContact CE2-CB 3.34Å; F184-F193 HydrophobicContact CZ-CB 3.43Å; F184-F193 VanDerWaalsContact CZ-CB 3.43Å; F184-F193 HydrophobicContact CZ-CG 4.27Å; F184-E194 HydrophobicContact CD2-CB 4.36Å; F184-E194 WeakPolarHBondContact CD2-OE2 3.21Å; F184-E194 PolarHBondContact N-OE2 2.8Å; F184-S197 VanDerWaalsContact CE2-OG 3.23Å; F184-S197 WeakPolarHBondContact CE2-OG 3.43Å; F184-S197 WeakPolarHBondContact CZ-OG 3.49Å
185R93.5Very high96.1Very high124 Ų12468.6 Ų68.647%0.46834%0.337SS..SBendtrans-83-31-176.3-62.1-171.7-176.4-179.43.7112.4I126 E130 D134 R190I126-R185 WeakPolarHBondContact CD1-O 3.49Å; E130-R185 HydrophobicContact CB-CB 3.86Å; E130-R185 HydrophobicContact CG-CB 3.78Å; E130-R185 HydrophobicContact CG-CG 4.44Å; E130-R185 IonicContact OE1-NH1 3.65Å; D134-R185 PolarHBondContact OD1-N 2.85Å; D134-R185 PolarHBondContact OD2-N 3.36Å; D134-R185 VanDerWaalsContact OD2-N 3.17Å; R185-R190 PolarHBondContact O-NH2 2.87Å
186T95.3Very high96.1Very high0 Ų066.7 Ų66.70%033%0.329CS..SBendtrans-92.1144.3-179.9700000111.5I126 E130 Y131 D134 F188 F189 R190I126-T186 HydrophobicContact CG2-CG2 3.64Å; E130-T186 HydrophobicContact CB-CG2 4.03Å; Y131-T186 HydrophobicContact CD1-CG2 3.77Å; Y131-T186 HydrophobicContact CD2-CG2 3.68Å; Y131-T186 HydrophobicContact CE1-CG2 3.81Å; Y131-T186 HydrophobicContact CE2-CG2 3.73Å; Y131-T186 HydrophobicContact CG-CG2 3.69Å; D134-T186 WeakPolarHBondContact OD2-CA 3.41Å; D134-T186 VanDerWaalsContact OD2-CB 3.22Å; D134-T186 WeakPolarHBondContact OD2-CB 3.31Å; D134-T186 WeakPolarHBondContact OD2-CG2 3.46Å; D134-T186 PolarHBondContact OD2-N 3.49Å; D134-T186 PolarHBondContact OD2-OG1 2.86Å; T186-F188 PolarHBondContact O-N 3.34Å; T186-F189 PolarHBondContact O-N 3.43Å; T186-F189 WeakPolarHBondContact OG1-CB 3.31Å; T186-F189 VanDerWaalsContact OG1-CD2 3.31Å; T186-F189 WeakPolarHBondContact OG1-CD2 3.4Å; T186-F189 PolarHBondContact OG1-N 3.31Å; T186-R190 VanDerWaalsContact O-CG 3.27Å; T186-R190 WeakPolarHBondContact O-CG 3.4Å; T186-R190 PolarHBondContact O-N 3.24Å
187N95.9Very high96.3Very high92 Ų9263.1 Ų63.149%0.49231%0.307SS..Hα-helixtrans-60.2-37.5174.7-70.2-19.6000111.6F189 R190 E191N187-F189 PolarHBondContact O-N 3.46Å; N187-R190 PolarHBondContact O-N 3.24Å; N187-R190 PolarHBondContact OD1-NH1 2.95Å; N187-R190 VanDerWaalsContact OD1-NH1 3.15Å; N187-E191 WeakPolarHBondContact O-CG 2.83Å; N187-E191 PolarHBondContact O-N 2.86Å
188F97.3Very high96.5Very high43 Ų4365.3 Ų65.319%0.18931%0.314CS..Hα-helixtrans-56.5-49.3178.3179.7-90.1000112.5R57 C58 L61 Y131 T186 L192R57-F188 HydrophobicContact CB-CZ 3.86Å; C58-F188 HydrophobicContact CB-CD1 3.95Å; C58-F188 HydrophobicContact CB-CE1 3.7Å; C58-F188 HydrophobicContact CB-CZ 4.06Å; L61-F188 HydrophobicContact CD1-CB 4.15Å; L61-F188 HydrophobicContact CD1-CD2 3.88Å; L61-F188 HydrophobicContact CD1-CG 4.1Å; Y131-F188 HydrophobicContact CE1-CB 4.29Å; T186-F188 PolarHBondContact O-N 3.34Å; F188-L192 HydrophobicContact CD1-CD1 3.98Å; F188-L192 HydrophobicContact CE1-CD1 3.47Å; F188-L192 VanDerWaalsContact CE1-CD1 3.47Å; F188-L192 HydrophobicContact CE2-CD1 4.31Å; F188-L192 HydrophobicContact CZ-CD1 3.66Å; F188-L192 WeakPolarHBondContact O-CG 3.48Å; F188-L192 PolarHBondContact O-N 3.27Å
189F98Very high96.6Very high0 Ų068.8 Ų68.80%033%0.327CS..Hα-helixtrans-76.6-30179-79.7-96.9000112.7L54 C58 Y131 D134 L135 A138 F184 T186 N187 L192 F193L54-F189 HydrophobicContact CB-CZ 4.46Å; L54-F189 HydrophobicContact CD1-CE1 4.36Å; C58-F189 HydrophobicContact CB-CE2 4.35Å; Y131-F189 HydrophobicContact CD1-CD2 4.34Å; Y131-F189 HydrophobicContact CD1-CE2 4.04Å; D134-F189 HydrophobicContact CB-CB 3.84Å; D134-F189 HydrophobicContact CB-CD1 3.97Å; D134-F189 HydrophobicContact CB-CD2 3.62Å; D134-F189 HydrophobicContact CB-CE2 4.19Å; D134-F189 HydrophobicContact CB-CG 3.54Å; L135-F189 HydrophobicContact CD2-CE1 4.16Å; L135-F189 HydrophobicContact CD2-CZ 3.53Å; L135-F189 HydrophobicContact CG-CE1 4.39Å; L135-F189 HydrophobicContact CG-CE2 4.28Å; L135-F189 HydrophobicContact CG-CZ 3.67Å; A138-F189 HydrophobicContact CB-CD1 4.07Å; A138-F189 HydrophobicContact CB-CE1 3.84Å; F184-F189 HydrophobicContact CB-CB 3.82Å; F184-F189 HydrophobicContact CD1-CB 3.67Å; F184-F189 HydrophobicContact CD1-CD1 4.36Å; F184-F189 HydrophobicContact CD1-CG 4.37Å; F184-F189 HydrophobicContact CE1-CB 4.46Å; F184-F189 HydrophobicContact CE1-CD1 4.47Å; F184-F189 HydrophobicContact CG-CB 3.82Å; T186-F189 PolarHBondContact O-N 3.43Å; T186-F189 WeakPolarHBondContact OG1-CB 3.31Å; T186-F189 VanDerWaalsContact OG1-CD2 3.31Å; T186-F189 WeakPolarHBondContact OG1-CD2 3.4Å; T186-F189 PolarHBondContact OG1-N 3.31Å; N187-F189 PolarHBondContact O-N 3.46Å; F189-L192 PolarHBondContact O-N 3.01Å; F189-F193 HydrophobicContact CB-CD2 4.29Å; F189-F193 AromaticContact CD1-CD2 3.48Å; F189-F193 HydrophobicContact CD1-CD2 3.48Å; F189-F193 VanDerWaalsContact CD1-CD2 3.48Å; F189-F193 AromaticContact CD1-CE2 3.52Å; F189-F193 HydrophobicContact CD1-CE2 3.52Å; F189-F193 HydrophobicContact CE1-CD2 4.21Å; F189-F193 AromaticContact CE1-CE2 3.78Å; F189-F193 HydrophobicContact CE1-CE2 3.78Å; F189-F193 HydrophobicContact CG-CD2 4.27Å; F189-F193 HydrophobicContact CG-CE2 4.48Å; F189-F193 WeakPolarHBondContact O-CB 3.31Å; F189-F193 PolarHBondContact O-N 2.88Å
190R97.6Very high96.8Very high70 Ų7061.9 Ų61.926%0.26429%0.291SS..Iπ-helixtrans-59.8-49.4173.5-72.2175.9-153.9167.27.5111.9N182 F184 R185 T186 N187 L192 E194N182-R190 HydrophobicContact CB-CG 4.31Å; F184-R190 HydrophobicContact CB-CG 3.82Å; F184-R190 VanDerWaalsContact O-CG 3.25Å; F184-R190 WeakPolarHBondContact O-CG 3.27Å; F184-R190 PolarHBondContact O-NE 3.39Å; R185-R190 PolarHBondContact O-NH2 2.87Å; T186-R190 VanDerWaalsContact O-CG 3.27Å; T186-R190 WeakPolarHBondContact O-CG 3.4Å; T186-R190 PolarHBondContact O-N 3.24Å; N187-R190 PolarHBondContact O-N 3.24Å; N187-R190 PolarHBondContact OD1-NH1 2.95Å; N187-R190 VanDerWaalsContact OD1-NH1 3.15Å; R190-L192 PolarHBondContact O-N 2.86Å; R190-E194 HydrophobicContact CB-CB 4.44Å; R190-E194 WeakPolarHBondContact O-CB 3.31Å; R190-E194 PolarHBondContact O-N 2.68Å; R190-E194 VanDerWaalsContact O-N 3.1Å
191E98.1Very high97.1Very high168 Ų16858.6 Ų58.679%0.78527%0.274SS*.Iπ-helixtrans-60-36.4179.7-74.1176.1-170.800112.1N187N187-E191 WeakPolarHBondContact O-CG 2.83Å; N187-E191 PolarHBondContact O-N 2.86Å
192L97.9Very high97.3Very high68 Ų6857 Ų5736%0.35626%0.257SS..Iπ-helixtrans-81.4-40-177.7-68.4177000113.7R57 F188 F189 R190R57-L192 VanDerWaalsContact NH2-CD2 3.34Å; F188-L192 HydrophobicContact CD1-CD1 3.98Å; F188-L192 HydrophobicContact CE1-CD1 3.47Å; F188-L192 VanDerWaalsContact CE1-CD1 3.47Å; F188-L192 HydrophobicContact CE2-CD1 4.31Å; F188-L192 HydrophobicContact CZ-CD1 3.66Å; F188-L192 WeakPolarHBondContact O-CG 3.48Å; F188-L192 PolarHBondContact O-N 3.27Å; F189-L192 PolarHBondContact O-N 3.01Å; R190-L192 PolarHBondContact O-N 2.86Å
193F98.5Very high97.5Very high20 Ų2056.5 Ų56.59%0.08825%0.251CS..Iπ-helixtrans-125.7-25.3-160.7-62.5-65000114.9L54 A138 F184 F189 K195 Q196 S197L54-F193 HydrophobicContact CD1-CZ 4.28Å; L54-F193 HydrophobicContact CD2-CE2 4.24Å; L54-F193 HydrophobicContact CD2-CZ 3.71Å; A138-F193 HydrophobicContact CB-CD2 4.3Å; A138-F193 HydrophobicContact CB-CE2 4.12Å; A138-F193 HydrophobicContact CB-CZ 4.38Å; F184-F193 HydrophobicContact CD2-CB 4.06Å; F184-F193 HydrophobicContact CE1-CB 4.21Å; F184-F193 HydrophobicContact CE2-CB 3.34Å; F184-F193 HydrophobicContact CZ-CB 3.43Å; F184-F193 VanDerWaalsContact CZ-CB 3.43Å; F184-F193 HydrophobicContact CZ-CG 4.27Å; F189-F193 HydrophobicContact CB-CD2 4.29Å; F189-F193 AromaticContact CD1-CD2 3.48Å; F189-F193 HydrophobicContact CD1-CD2 3.48Å; F189-F193 VanDerWaalsContact CD1-CD2 3.48Å; F189-F193 AromaticContact CD1-CE2 3.52Å; F189-F193 HydrophobicContact CD1-CE2 3.52Å; F189-F193 HydrophobicContact CE1-CD2 4.21Å; F189-F193 AromaticContact CE1-CE2 3.78Å; F189-F193 HydrophobicContact CE1-CE2 3.78Å; F189-F193 HydrophobicContact CG-CD2 4.27Å; F189-F193 HydrophobicContact CG-CE2 4.48Å; F189-F193 WeakPolarHBondContact O-CB 3.31Å; F189-F193 PolarHBondContact O-N 2.88Å; F193-K195 PolarHBondContact O-N 3.36Å; F193-Q196 PolarHBondContact O-N 2.85Å; F193-Q196 VanDerWaalsContact O-N 3.14Å; F193-S197 WeakPolarHBondContact O-CB 3.19Å; F193-S197 PolarHBondContact O-N 3.45Å; F193-S197 PolarHBondContact O-OG 3.42Å
194E98.4Very high97.7Very high19 Ų1956.4 Ų56.49%0.08925%0.251CS..Iπ-helixtrans-54-49.1-170.5-173.573.7-157.400112.6I183 F184 R190 Q196 S197 R198I183-E194 WeakPolarHBondContact CB-OE2 3.29Å; I183-E194 PolarHBondContact N-OE1 3.1Å; I183-E194 PolarHBondContact N-OE2 3.28Å; F184-E194 HydrophobicContact CD2-CB 4.36Å; F184-E194 WeakPolarHBondContact CD2-OE2 3.21Å; F184-E194 PolarHBondContact N-OE2 2.8Å; R190-E194 HydrophobicContact CB-CB 4.44Å; R190-E194 WeakPolarHBondContact O-CB 3.31Å; R190-E194 PolarHBondContact O-N 2.68Å; R190-E194 VanDerWaalsContact O-N 3.1Å; E194-Q196 PolarHBondContact O-N 2.87Å; E194-S197 PolarHBondContact O-N 3.49Å; E194-R198 WeakPolarHBondContact O-CG 3.39Å; E194-R198 PolarHBondContact O-N 3.45Å; E194-R198 IonicContact OE1-CZ 2.71Å; E194-R198 IonicContact OE1-NE 2.79Å; E194-R198 PolarHBondContact OE1-NE 2.99Å; E194-R198 IonicContact OE1-NH2 3.2Å; E194-R198 PolarHBondContact OE1-NH2 3.32Å
195K98.5Very high97.8Very high187 Ų18756.8 Ų56.881%0.81325%0.253SS*.Hα-helixtrans-61.2-46.9-178.7-177.4-179.2178.6-178.80111.8F193 K199F193-K195 PolarHBondContact O-N 3.36Å; K195-K199 PolarHBondContact O-N 3.09Å
196Q98.7Very high98Very high60 Ų6054.7 Ų54.728%0.2825%0.251SS..Hα-helixtrans-70.8-38.6-178.6-173.960.148.200111G141 S142 F193 E194 R198 K199 N200G141-Q196 VanDerWaalsContact O-CG 3.3Å; G141-Q196 WeakPolarHBondContact O-CG 3.47Å; S142-Q196 WeakPolarHBondContact O-CG 3.3Å; F193-Q196 PolarHBondContact O-N 2.85Å; F193-Q196 VanDerWaalsContact O-N 3.14Å; E194-Q196 PolarHBondContact O-N 2.87Å; Q196-R198 PolarHBondContact O-N 2.89Å; Q196-K199 PolarHBondContact O-N 3.32Å; Q196-N200 PolarHBondContact NE2-OD1 3.49Å; Q196-N200 PolarHBondContact O-N 3.42Å
197S98.5Very high98.1Very high0 Ų057.1 Ų57.10%026%0.262CS..Hα-helixtrans-57.9-48.5174.7-66.50000112.1I140 G141 F184 F193 E194 K199 N200 V201I140-S197 WeakPolarHBondContact O-CA 3.38Å; G141-S197 WeakPolarHBondContact CA-OG 3.16Å; G141-S197 PolarHBondContact N-OG 3.48Å; F184-S197 VanDerWaalsContact CE2-OG 3.23Å; F184-S197 WeakPolarHBondContact CE2-OG 3.43Å; F184-S197 WeakPolarHBondContact CZ-OG 3.49Å; F193-S197 WeakPolarHBondContact O-CB 3.19Å; F193-S197 PolarHBondContact O-N 3.45Å; F193-S197 PolarHBondContact O-OG 3.42Å; E194-S197 PolarHBondContact O-N 3.49Å; S197-K199 VanDerWaalsContact C-N 3.32Å; S197-K199 PolarHBondContact O-N 3.36Å; S197-N200 PolarHBondContact O-N 3.39Å; S197-V201 VanDerWaalsContact O-CB 3.3Å; S197-V201 WeakPolarHBondContact O-CB 3.39Å; S197-V201 WeakPolarHBondContact O-CG2 3.33Å; S197-V201 PolarHBondContact O-N 2.99Å
198R98.5Very high98.2Very high71 Ų7153.1 Ų53.127%0.26824%0.241SC..Hα-helixtrans-62.5-38.9177.9-71.2-177.8179.3-83.5-7.1112.3L178 I180 P181 I183 E194 Q196 Q202L178-R198 HydrophobicContact CD2-CB 4.33Å; L178-R198 HydrophobicContact CD2-CG 4.09Å; L178-R198 PolarHBondContact O-NH1 3.09Å; I180-R198 PolarHBondContact O-NH2 3.46Å; P181-R198 PolarHBondContact O-NH2 3.49Å; I183-R198 HydrophobicContact CD1-CG 3.89Å; E194-R198 WeakPolarHBondContact O-CG 3.39Å; E194-R198 PolarHBondContact O-N 3.45Å; E194-R198 IonicContact OE1-CZ 2.71Å; E194-R198 IonicContact OE1-NE 2.79Å; E194-R198 PolarHBondContact OE1-NE 2.99Å; E194-R198 IonicContact OE1-NH2 3.2Å; E194-R198 PolarHBondContact OE1-NH2 3.32Å; Q196-R198 PolarHBondContact O-N 2.89Å; R198-Q202 VanDerWaalsContact O-CB 3.29Å; R198-Q202 WeakPolarHBondContact O-CB 3.36Å; R198-Q202 PolarHBondContact O-N 3.17Å
199K98.6Very high98.1Very high114 Ų11456 Ų5650%0.49626%0.257SS..Hα-helixtrans-61.3-51.1174.6-175-170.4173.1-157.50111.3E144 K195 Q196 S197 Q202 K203E144-K199 IonicContact OE2-NZ 3.75Å; E144-K199 PolarHBondContact OE2-NZ 3.06Å; K195-K199 PolarHBondContact O-N 3.09Å; Q196-K199 PolarHBondContact O-N 3.32Å; S197-K199 VanDerWaalsContact C-N 3.32Å; S197-K199 PolarHBondContact O-N 3.36Å; K199-Q202 PolarHBondContact O-N 2.92Å; K199-K203 WeakPolarHBondContact O-CB 3.44Å; K199-K203 PolarHBondContact O-N 3.46Å
200N98.8Very high97.8Very high2 Ų261.3 Ų61.31%0.01129%0.29CS..Hα-helixtrans-63-45.9-178.5-72.7-13.1000111.8I140 S142 Y147 Q196 S197 K203 E204I140-N200 PolarHBondContact O-ND2 3.17Å; S142-N200 PolarHBondContact O-ND2 2.86Å; Y147-N200 HydrophobicContact CD1-CB 3.79Å; Y147-N200 HydrophobicContact CD2-CB 3.62Å; Y147-N200 WeakPolarHBondContact CD2-ND2 3.24Å; Y147-N200 HydrophobicContact CE1-CB 3.85Å; Y147-N200 HydrophobicContact CE2-CB 3.67Å; Y147-N200 HydrophobicContact CG-CB 3.68Å; Q196-N200 PolarHBondContact NE2-OD1 3.49Å; Q196-N200 PolarHBondContact O-N 3.42Å; S197-N200 PolarHBondContact O-N 3.39Å; N200-K203 PolarHBondContact O-N 3.32Å; N200-E204 PolarHBondContact O-N 2.93Å
201V98.4Very high96.8Very high0 Ų063.2 Ų63.20%030%0.302CS..Hα-helixtrans-63.5-44.3179.31700000111.3I140 L174 L178 S197 E204 I205I140-V201 HydrophobicContact CD1-CG2 4.33Å; L174-V201 HydrophobicContact CB-CG1 3.95Å; L174-V201 HydrophobicContact CD2-CB 4.47Å; L174-V201 HydrophobicContact CD2-CG1 3.98Å; L174-V201 HydrophobicContact CD2-CG2 4.14Å; L178-V201 HydrophobicContact CD1-CG1 4.02Å; L178-V201 HydrophobicContact CD2-CB 4.11Å; L178-V201 HydrophobicContact CD2-CG1 3.68Å; L178-V201 HydrophobicContact CG-CG1 3.6Å; S197-V201 VanDerWaalsContact O-CB 3.3Å; S197-V201 WeakPolarHBondContact O-CB 3.39Å; S197-V201 WeakPolarHBondContact O-CG2 3.33Å; S197-V201 PolarHBondContact O-N 2.99Å; V201-E204 PolarHBondContact O-N 3.32Å; V201-I205 HydrophobicContact CG1-CD1 4.1Å; V201-I205 WeakPolarHBondContact O-CG1 3.17Å; V201-I205 PolarHBondContact O-N 3.01Å
202Q98.6Very high94.9Very high81 Ų8167.4 Ų67.438%0.37932%0.317SS..Hα-helixtrans-62.9-45176.9-176.360.557.900111.4L178 R198 K199 E204 I205 D206L178-Q202 HydrophobicContact CD1-CB 4.41Å; R198-Q202 VanDerWaalsContact O-CB 3.29Å; R198-Q202 WeakPolarHBondContact O-CB 3.36Å; R198-Q202 PolarHBondContact O-N 3.17Å; K199-Q202 PolarHBondContact O-N 2.92Å; Q202-E204 VanDerWaalsContact C-N 3.32Å; Q202-E204 PolarHBondContact O-N 3.46Å; Q202-I205 WeakPolarHBondContact O-CB 3.42Å; Q202-I205 PolarHBondContact O-N 3.3Å; Q202-I205 VanDerWaalsContact O-N 3.16Å; Q202-D206 PolarHBondContact NE2-OD1 2.98Å; Q202-D206 VanDerWaalsContact O-CG 3.28Å; Q202-D206 PolarHBondContact O-N 3.39Å
203K98.4Very high94.7Very high61 Ų6167.4 Ų67.427%0.26532%0.315SS..Hα-helixtrans-57.4-46177.1-173.5-169.4177-1520111.4E144 E148 K199 N200 I205 D206 E207E144-K203 WeakPolarHBondContact OE1-CE 3.42Å; E144-K203 IonicContact OE1-NZ 3.99Å; E144-K203 PolarHBondContact OE1-NZ 3.22Å; E148-K203 IonicContact OE1-NZ 3.68Å; E148-K203 PolarHBondContact OE1-NZ 3.3Å; K199-K203 WeakPolarHBondContact O-CB 3.44Å; K199-K203 PolarHBondContact O-N 3.46Å; N200-K203 PolarHBondContact O-N 3.32Å; K203-I205 VanDerWaalsContact C-N 3.35Å; K203-I205 PolarHBondContact O-N 2.88Å; K203-D206 PolarHBondContact O-N 3.45Å; K203-E207 WeakPolarHBondContact CE-OE1 3.19Å; K203-E207 IonicContact NZ-OE1 2.69Å; K203-E207 WeakPolarHBondContact O-CG 3.35Å; K203-E207 PolarHBondContact O-N 3.37Å
204E98.4Very high94.5Very high5 Ų569.8 Ų69.82%0.02333%0.327CS..Hα-helixtrans-64.7-37.4177.7-174.9178.1178.700112.5Y147 K151 R170 L174 N200 V201 Q202 D206 E207 L208Y147-E204 HydrophobicContact CE1-CB 4.13Å; Y147-E204 WeakPolarHBondContact CE1-OE2 3.45Å; Y147-E204 VanDerWaalsContact CZ-OE2 3.28Å; Y147-E204 PolarHBondContact OH-OE2 2.7Å; K151-E204 HydrophobicContact CD-CB 4.09Å; K151-E204 HydrophobicContact CD-CG 3.57Å; R170-E204 WeakPolarHBondContact CG-OE1 3.49Å; R170-E204 IonicContact CZ-OE1 2.78Å; R170-E204 IonicContact CZ-OE2 3.89Å; R170-E204 IonicContact NE-OE1 2.96Å; R170-E204 PolarHBondContact NE-OE1 3.34Å; R170-E204 IonicContact NE-OE2 3.91Å; R170-E204 IonicContact NH2-OE1 3.21Å; R170-E204 PolarHBondContact NH2-OE1 3.47Å; R170-E204 IonicContact NH2-OE2 2.94Å; R170-E204 PolarHBondContact NH2-OE2 2.68Å; L174-E204 HydrophobicContact CD1-CB 4Å; L174-E204 VanDerWaalsContact CD1-CD 3.4Å; L174-E204 HydrophobicContact CD1-CG 3.56Å; N200-E204 PolarHBondContact O-N 2.93Å; V201-E204 PolarHBondContact O-N 3.32Å; Q202-E204 VanDerWaalsContact C-N 3.32Å; Q202-E204 PolarHBondContact O-N 3.46Å; E204-D206 VanDerWaalsContact C-N 3.34Å; E204-E207 PolarHBondContact O-N 2.96Å; E204-L208 HydrophobicContact CG-CD1 3.87Å; E204-L208 HydrophobicContact CG-CG 4.28Å; E204-L208 WeakPolarHBondContact O-CB 3.26Å; E204-L208 VanDerWaalsContact O-CG 3.24Å; E204-L208 WeakPolarHBondContact O-CG 3.31Å; E204-L208 PolarHBondContact O-N 2.7Å
205I98.4Very high94.3Very high8 Ų872.7 Ų72.74%0.04134%0.341CS..Hα-helixtrans-60.2-46.5173.4-72.3166.8000110.5L171 L174 K175 L178 V201 Q202 K203 L208 L209L171-I205 HydrophobicContact CD2-CB 4.33Å; L171-I205 HydrophobicContact CD2-CG1 4.28Å; L171-I205 HydrophobicContact CD2-CG2 4.08Å; L174-I205 HydrophobicContact CB-CD1 3.91Å; L174-I205 HydrophobicContact CB-CG1 3.7Å; L174-I205 HydrophobicContact CD1-CG1 4.13Å; K175-I205 HydrophobicContact CG-CD1 4.04Å; L178-I205 HydrophobicContact CD1-CD1 3.58Å; L178-I205 HydrophobicContact CG-CD1 4.29Å; V201-I205 HydrophobicContact CG1-CD1 4.1Å; V201-I205 WeakPolarHBondContact O-CG1 3.17Å; V201-I205 PolarHBondContact O-N 3.01Å; Q202-I205 WeakPolarHBondContact O-CB 3.42Å; Q202-I205 PolarHBondContact O-N 3.3Å; Q202-I205 VanDerWaalsContact O-N 3.16Å; K203-I205 VanDerWaalsContact C-N 3.35Å; K203-I205 PolarHBondContact O-N 2.88Å; I205-L208 PolarHBondContact O-N 3.02Å; I205-L209 HydrophobicContact CG2-CD1 3.8Å; I205-L209 HydrophobicContact CG2-CG 4.39Å; I205-L209 WeakPolarHBondContact O-CB 2.95Å; I205-L209 VanDerWaalsContact O-CG 3.24Å; I205-L209 WeakPolarHBondContact O-CG 3.26Å; I205-L209 PolarHBondContact O-N 3.23Å
206D98.1Very high94Very high79 Ų7965.9 Ų65.942%0.42231%0.313SS..Hα-helixtrans-64-42.7-178.6-61.9-22.9000111.1Q202 K203 E204 L209 T210Q202-D206 PolarHBondContact NE2-OD1 2.98Å; Q202-D206 VanDerWaalsContact O-CG 3.28Å; Q202-D206 PolarHBondContact O-N 3.39Å; K203-D206 PolarHBondContact O-N 3.45Å; E204-D206 VanDerWaalsContact C-N 3.34Å; D206-L209 PolarHBondContact O-N 3.08Å; D206-T210 WeakPolarHBondContact O-CG2 3.38Å; D206-T210 PolarHBondContact O-N 3.25Å; D206-T210 PolarHBondContact O-OG1 3.08Å
207E97.2Very high93.8Very high51 Ų5166.3 Ų66.324%0.23832%0.315CS..Hα-helixtrans-58.6-53.5173.7-71.8167.3175.400111.4K151 K203 E204 L209 T210 E211K151-E207 IonicContact NZ-OE1 3.83Å; K151-E207 IonicContact NZ-OE2 3.43Å; K151-E207 PolarHBondContact NZ-OE2 3.01Å; K203-E207 WeakPolarHBondContact CE-OE1 3.19Å; K203-E207 IonicContact NZ-OE1 2.69Å; K203-E207 WeakPolarHBondContact O-CG 3.35Å; K203-E207 PolarHBondContact O-N 3.37Å; E204-E207 PolarHBondContact O-N 2.96Å; E207-L209 PolarHBondContact O-N 3.16Å; E207-L209 VanDerWaalsContact O-N 3.16Å; E207-T210 PolarHBondContact O-N 3.38Å; E207-T210 PolarHBondContact O-OG1 3.04Å; E207-E211 WeakPolarHBondContact O-CG 3.37Å; E207-E211 PolarHBondContact O-N 3.06Å
208L96.7Very high93.4Very high9 Ų970.7 Ų70.75%0.04734%0.336CS..Hα-helixtrans-62.5-25-179.4-72171.5000113.5R167 R170 L171 L174 E204 I205R167-L208 WeakPolarHBondContact CD-O 3.12Å; R167-L208 HydrophobicContact CG-CB 4.39Å; R167-L208 HydrophobicContact CG-CD2 4.3Å; R170-L208 HydrophobicContact CB-CD1 4.1Å; R170-L208 HydrophobicContact CG-CD1 3.7Å; L171-L208 HydrophobicContact CD1-CB 4.25Å; L171-L208 HydrophobicContact CD2-CB 3.72Å; L171-L208 HydrophobicContact CD2-CD1 4.11Å; L171-L208 HydrophobicContact CG-CB 3.87Å; L171-L208 HydrophobicContact CG-CD1 4.05Å; L174-L208 HydrophobicContact CD1-CD1 3.85Å; E204-L208 HydrophobicContact CG-CD1 3.87Å; E204-L208 HydrophobicContact CG-CG 4.28Å; E204-L208 WeakPolarHBondContact O-CB 3.26Å; E204-L208 VanDerWaalsContact O-CG 3.24Å; E204-L208 WeakPolarHBondContact O-CG 3.31Å; E204-L208 PolarHBondContact O-N 2.7Å; I205-L208 PolarHBondContact O-N 3.02Å
209L95.6Very high93.1Very high103 Ų10370.7 Ų70.754%0.53934%0.341SS..Hα-helixtrans-81.8-19.3174.7-71.4173.8000113.3L171 I205 D206 E207L171-L209 HydrophobicContact CD1-CD2 3.98Å; L171-L209 HydrophobicContact CD2-CD2 4.38Å; L171-L209 HydrophobicContact CD2-CG 4.22Å; I205-L209 HydrophobicContact CG2-CD1 3.8Å; I205-L209 HydrophobicContact CG2-CG 4.39Å; I205-L209 WeakPolarHBondContact O-CB 2.95Å; I205-L209 VanDerWaalsContact O-CG 3.24Å; I205-L209 WeakPolarHBondContact O-CG 3.26Å; I205-L209 PolarHBondContact O-N 3.23Å; D206-L209 PolarHBondContact O-N 3.08Å; E207-L209 PolarHBondContact O-N 3.16Å; E207-L209 VanDerWaalsContact O-N 3.16Å
210T92.4Very high92.7Very high111 Ų11167.4 Ų67.468%0.68133%0.329SS*.Hα-helixtrans-99.9-22.3-179.158.50000113.6D206 E207 K212D206-T210 WeakPolarHBondContact O-CG2 3.38Å; D206-T210 PolarHBondContact O-N 3.25Å; D206-T210 PolarHBondContact O-OG1 3.08Å; E207-T210 PolarHBondContact O-N 3.38Å; E207-T210 PolarHBondContact O-OG1 3.04Å; T210-K212 PolarHBondContact O-N 2.76Å
211E77.1Confident92.1Very high111 Ų11172.8 Ų72.852%0.51936%0.355SS..  trans-59.9119.2169.7-73.5177.9-177.500109.8R167 E207R167-E211 PolarHBondContact NH1-O 2.93Å; E207-E211 WeakPolarHBondContact O-CG 3.37Å; E207-E211 PolarHBondContact O-N 3.06Å
212K56.3Low91.6Very high255 Ų25579.5 Ų79.5100%1.10939%0.388SS*.  trans-76.90177.4-76.3-174.9177179.60110.9R167 T210R167-K212 PolarHBondContact NH1-OXT 3.21Å; T210-K212 PolarHBondContact O-N 2.76Å

Retrieved 212 of 212 residues in 70.6 ms (Link to these results)

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