A0A077YZ53_TRITR Loading...

Homeobox protein SIX1

AlphaFold DB , UniProt , Accession A0A077YZ53, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 149 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
1M42.2Very low65.3Low194 Ų194112.3 Ų112.396%0.95657%0.57SS**  0-45.80-117.4-178.486.300114
2C49.5Very low67.7Low97 Ų97104.1 Ų104.166%0.65553%0.529SS*.Hα-helixtrans-71.5-29.6179-72.60000115.1H6C2-H6 PolarHBondContact O-N 3.26Å; C2-H6 PolarHBondContact O-ND1 2.89Å
3E47Very low69.9Low165 Ų165102.4 Ų102.477%0.77151%0.512SS*.Hα-helixtrans-72-33.6-177.4-69.9-167.5159.600113.7H6 K7E3-H6 PolarHBondContact O-N 2.89Å; E3-K7 PolarHBondContact O-N 3Å
4E48.9Very low71.7Confident157 Ų15798.9 Ų98.973%0.73451%0.506SS*.Hα-helixtrans-73.1-34.9175.8-86.3165.5141.800112.5H6 K7 N8E4-H6 PolarHBondContact O-N 3.24Å; E4-K7 PolarHBondContact O-N 3.07Å; E4-N8 PolarHBondContact O-N 3.1Å
5L51.2Low73.4Confident100 Ų10097.4 Ų97.452%0.52450%0.495SS..Hα-helixtrans-63.5-32172.5-105.9139.5000112.1K7 N8L5-K7 VanDerWaalsContact C-N 3.29Å; L5-K7 PolarHBondContact O-N 3.31Å; L5-N8 VanDerWaalsContact O-CB 3.28Å; L5-N8 WeakPolarHBondContact O-CB 3.35Å; L5-N8 PolarHBondContact O-N 2.98Å
6H55.9Low74.9Confident98 Ų9891.3 Ų91.345%0.45446%0.464SS..Hα-helixtrans-70.4-24.3177-87.870.7000113.6C2 E3 E4 L12 K15C2-H6 PolarHBondContact O-N 3.26Å; C2-H6 PolarHBondContact O-ND1 2.89Å; E3-H6 PolarHBondContact O-N 2.89Å; E4-H6 PolarHBondContact O-N 3.24Å; H6-L12 WeakPolarHBondContact O-CD2 3.44Å; H6-K15 PolarHBondContact CD2-NZ 3.36Å; H6-K15 PolarHBondContact NE2-NZ 2.97Å
7K65.2Low76.2Confident164 Ų16490.7 Ų90.771%0.71346%0.462SS*.THydrogen-bonded Turntrans-89.5-2.4173.9-66.4-175-179.81790113.1E3 E4 L5 E9E3-K7 PolarHBondContact O-N 3Å; E4-K7 PolarHBondContact O-N 3.07Å; L5-K7 VanDerWaalsContact C-N 3.29Å; L5-K7 PolarHBondContact O-N 3.31Å; K7-E9 PolarHBondContact O-N 3.4Å; K7-E9 VanDerWaalsContact O-N 3.17Å
8N84.2Confident77.4Confident76 Ų7690.2 Ų90.241%0.40646%0.463SS..  trans-64.1120.1173.7-171.5-60000109E4 L5 T10 V11 L12E4-N8 PolarHBondContact O-N 3.1Å; L5-N8 VanDerWaalsContact O-CB 3.28Å; L5-N8 WeakPolarHBondContact O-CB 3.35Å; L5-N8 PolarHBondContact O-N 2.98Å; N8-T10 PolarHBondContact O-N 3.25Å; N8-T10 VanDerWaalsContact O-N 3.1Å; N8-T10 WeakPolarHBondContact OD1-CB 3.42Å; N8-T10 PolarHBondContact OD1-N 3.4Å; N8-T10 PolarHBondContact OD1-OG1 3.35Å; N8-T10 VanDerWaalsContact OD1-OG1 3.13Å; N8-V11 HydrophobicContact CB-CB 4.41Å; N8-V11 HydrophobicContact CB-CG2 4.06Å; N8-V11 WeakPolarHBondContact O-CA 3.49Å; N8-V11 WeakPolarHBondContact O-CB 3.34Å; N8-V11 PolarHBondContact O-N 2.89Å; N8-L12 PolarHBondContact O-N 3.35Å
9E88.4Confident78.5Confident47 Ų4785.7 Ų85.722%0.2244%0.442CS..Hα-helixtrans-54.8-34.8-176.5-167.3-177.315200112.4K7 V11 L12 R13 F37 A38 N41K7-E9 PolarHBondContact O-N 3.4Å; K7-E9 VanDerWaalsContact O-N 3.17Å; E9-V11 VanDerWaalsContact C-N 3.33Å; E9-V11 PolarHBondContact O-N 3.48Å; E9-L12 PolarHBondContact O-N 2.98Å; E9-R13 HydrophobicContact CG-CG 4.3Å; E9-R13 WeakPolarHBondContact O-CB 3.28Å; E9-R13 WeakPolarHBondContact O-CD 3.47Å; E9-R13 WeakPolarHBondContact O-CG 3.38Å; E9-R13 PolarHBondContact O-N 3.48Å; E9-F37 HydrophobicContact CG-CD1 3.53Å; E9-F37 HydrophobicContact CG-CE1 4.15Å; E9-F37 HydrophobicContact CG-CG 4.42Å; E9-A38 VanDerWaalsContact CD-N 3.26Å; E9-A38 PolarHBondContact OE1-N 3.36Å; E9-A38 WeakPolarHBondContact OE2-CB 3.44Å; E9-A38 PolarHBondContact OE2-N 3.01Å; E9-A38 VanDerWaalsContact OE2-N 3.09Å; E9-N41 PolarHBondContact OE1-ND2 2.91Å
10T91.5Very high79.5Confident91 Ų9183.2 Ų83.256%0.55843%0.427SS*.Hα-helixtrans-61.3-43.2176.8-49.70000111.3N8 A14N8-T10 PolarHBondContact O-N 3.25Å; N8-T10 VanDerWaalsContact O-N 3.1Å; N8-T10 WeakPolarHBondContact OD1-CB 3.42Å; N8-T10 PolarHBondContact OD1-N 3.4Å; N8-T10 PolarHBondContact OD1-OG1 3.35Å; N8-T10 VanDerWaalsContact OD1-OG1 3.13Å; T10-A14 WeakPolarHBondContact O-CB 3.28Å; T10-A14 PolarHBondContact O-N 3.45Å
11V93.9Very high80.4Confident46 Ų4685.6 Ų85.628%0.27944%0.436SS..Hα-helixtrans-67.7-43.7177.9177.50000110.1N8 E9 R13 A14 K15N8-V11 HydrophobicContact CB-CB 4.41Å; N8-V11 HydrophobicContact CB-CG2 4.06Å; N8-V11 WeakPolarHBondContact O-CA 3.49Å; N8-V11 WeakPolarHBondContact O-CB 3.34Å; N8-V11 PolarHBondContact O-N 2.89Å; E9-V11 VanDerWaalsContact C-N 3.33Å; E9-V11 PolarHBondContact O-N 3.48Å; V11-R13 PolarHBondContact O-N 3.16Å; V11-A14 PolarHBondContact O-N 3.39Å; V11-K15 HydrophobicContact CG1-CD 4.29Å; V11-K15 HydrophobicContact CG1-CG 4.47Å; V11-K15 WeakPolarHBondContact O-CG 3.36Å; V11-K15 PolarHBondContact O-N 3.26Å
12L95.1Very high83Confident14 Ų1482.4 Ų82.47%0.07342%0.423CS..Hα-helixtrans-61.6-43.7177.5-69.3170.5000112H6 N8 E9 A14 K15 A16 I31 N35 F37H6-L12 WeakPolarHBondContact O-CD2 3.44Å; N8-L12 PolarHBondContact O-N 3.35Å; E9-L12 PolarHBondContact O-N 2.98Å; L12-A14 PolarHBondContact O-N 2.81Å; L12-K15 PolarHBondContact O-N 3.16Å; L12-A16 WeakPolarHBondContact O-CB 3.39Å; L12-A16 PolarHBondContact O-N 3.4Å; L12-I31 HydrophobicContact CB-CG2 4.43Å; L12-I31 HydrophobicContact CD2-CG2 4.4Å; L12-N35 HydrophobicContact CD1-CB 3.74Å; L12-F37 HydrophobicContact CB-CE1 3.82Å; L12-F37 HydrophobicContact CB-CZ 4.08Å
13R95.6Very high85.3Confident82 Ų8279.8 Ų79.831%0.30941%0.412SS..Hα-helixtrans-61.6-43.5175-72.6167.352.9-164.6-7.8111.8E9 V11 A16 L17 F37 N41 L45E9-R13 HydrophobicContact CG-CG 4.3Å; E9-R13 WeakPolarHBondContact O-CB 3.28Å; E9-R13 WeakPolarHBondContact O-CD 3.47Å; E9-R13 WeakPolarHBondContact O-CG 3.38Å; E9-R13 PolarHBondContact O-N 3.48Å; V11-R13 PolarHBondContact O-N 3.16Å; R13-A16 PolarHBondContact O-N 3.38Å; R13-L17 WeakPolarHBondContact O-CB 3.31Å; R13-L17 PolarHBondContact O-N 2.84Å; R13-F37 HydrophobicContact CG-CD1 3.95Å; R13-F37 HydrophobicContact CG-CE1 3.91Å; R13-N41 VanDerWaalsContact CZ-CG 3.48Å; R13-N41 VanDerWaalsContact NH1-CG 3.25Å; R13-N41 PolarHBondContact NH1-ND2 3.27Å; R13-N41 PolarHBondContact NH1-OD1 3.37Å; R13-N41 PolarHBondContact NH2-OD1 2.98Å; R13-L45 HydrophobicContact CG-CD1 4.49Å; R13-L45 HydrophobicContact CG-CD2 4.29Å
14A96Very high87.7Confident53 Ų5375.8 Ų75.844%0.43840%0.396SS..Hα-helixtrans-62.7-44.6176.200000111.3T10 V11 L12 L17 V18T10-A14 WeakPolarHBondContact O-CB 3.28Å; T10-A14 PolarHBondContact O-N 3.45Å; V11-A14 PolarHBondContact O-N 3.39Å; L12-A14 PolarHBondContact O-N 2.81Å; A14-L17 PolarHBondContact O-N 3.04Å; A14-V18 WeakPolarHBondContact O-CG2 3.43Å; A14-V18 PolarHBondContact O-N 3.18Å
15K96.5Very high90.1Very high77 Ų7769.5 Ų69.534%0.33537%0.367SS..Hα-helixtrans-61.1-44.9175.5-73.9-178.4175.7-170.20112.4H6 V11 L12 L17 V18 A19 I31H6-K15 PolarHBondContact CD2-NZ 3.36Å; H6-K15 PolarHBondContact NE2-NZ 2.97Å; V11-K15 HydrophobicContact CG1-CD 4.29Å; V11-K15 HydrophobicContact CG1-CG 4.47Å; V11-K15 WeakPolarHBondContact O-CG 3.36Å; V11-K15 PolarHBondContact O-N 3.26Å; L12-K15 PolarHBondContact O-N 3.16Å; K15-L17 VanDerWaalsContact C-N 3.31Å; K15-L17 PolarHBondContact O-N 2.57Å; K15-V18 PolarHBondContact O-N 3.47Å; K15-A19 WeakPolarHBondContact O-CB 3.03Å; K15-A19 PolarHBondContact O-N 3.35Å; K15-I31 HydrophobicContact CB-CD1 3.78Å
16A97.4Very high92.3Very high0 Ų073.1 Ų73.10%038%0.378CS..Hα-helixtrans-58.7-44.3175.600000111.3L12 R13 A19 F20 L28 I31 L32L12-A16 WeakPolarHBondContact O-CB 3.39Å; L12-A16 PolarHBondContact O-N 3.4Å; R13-A16 PolarHBondContact O-N 3.38Å; A16-A19 PolarHBondContact O-N 3.4Å; A16-F20 PolarHBondContact O-N 2.88Å; A16-L28 HydrophobicContact CB-CD1 3.85Å; A16-L28 WeakPolarHBondContact O-CD1 3.22Å; A16-I31 HydrophobicContact CB-CG2 4.05Å; A16-L32 HydrophobicContact CB-CD2 4.25Å
17L97.4Very high94.3Very high81 Ų8172.3 Ų72.342%0.42437%0.374SS..Hα-helixtrans-63.3-45.2177.7-173.963.6000111.9R13 A14 K15 F20 H21 L48R13-L17 WeakPolarHBondContact O-CB 3.31Å; R13-L17 PolarHBondContact O-N 2.84Å; A14-L17 PolarHBondContact O-N 3.04Å; K15-L17 VanDerWaalsContact C-N 3.31Å; K15-L17 PolarHBondContact O-N 2.57Å; L17-F20 WeakPolarHBondContact O-CB 3.46Å; L17-F20 PolarHBondContact O-N 3.28Å; L17-H21 PolarHBondContact O-CD2 2.95Å; L17-H21 VanDerWaalsContact O-CD2 3.24Å; L17-H21 PolarHBondContact O-N 3.43Å; L17-L48 HydrophobicContact CD1-CD1 4.39Å; L17-L48 HydrophobicContact CD1-CD2 4.16Å
18V98Very high95.9Very high81 Ų8164.5 Ų64.549%0.49134%0.34SS..Hα-helixtrans-62-44.5176.31710000111.1A14 K15 F20 H21 N22A14-V18 WeakPolarHBondContact O-CG2 3.43Å; A14-V18 PolarHBondContact O-N 3.18Å; K15-V18 PolarHBondContact O-N 3.47Å; V18-F20 VanDerWaalsContact C-N 3.31Å; V18-F20 PolarHBondContact O-N 2.95Å; V18-H21 PolarHBondContact O-N 3.31Å; V18-N22 WeakPolarHBondContact O-CB 3.33Å; V18-N22 PolarHBondContact O-N 3.01Å
19A98.1Very high96.5Very high6 Ų662 Ų625%0.0533%0.326CS..Hα-helixtrans-58.9-42.9176.700000111.6K15 A16 N22 G23 N24 E27 L28K15-A19 WeakPolarHBondContact O-CB 3.03Å; K15-A19 PolarHBondContact O-N 3.35Å; A16-A19 PolarHBondContact O-N 3.4Å; A19-N22 PolarHBondContact O-N 2.8Å; A19-G23 PolarHBondContact O-N 3.3Å; A19-N24 PolarHBondContact O-N 2.97Å; A19-E27 HydrophobicContact CB-CB 4.15Å; A19-E27 HydrophobicContact CB-CG 4.05Å; A19-L28 HydrophobicContact CB-CB 4.09Å
20F98.4Very high97Very high34 Ų3464.8 Ų64.815%0.14934%0.339CS..Hα-helixtrans-61.2-48.8174.9-179.2-90000112.4A16 L17 V18 N22 G23 F25 L28 L48 K51 A52 I55A16-F20 PolarHBondContact O-N 2.88Å; L17-F20 WeakPolarHBondContact O-CB 3.46Å; L17-F20 PolarHBondContact O-N 3.28Å; V18-F20 VanDerWaalsContact C-N 3.31Å; V18-F20 PolarHBondContact O-N 2.95Å; F20-N22 VanDerWaalsContact C-N 3.3Å; F20-N22 PolarHBondContact O-N 3.24Å; F20-G23 PolarHBondContact O-N 2.89Å; F20-F25 HydrophobicContact CD2-CD1 4.49Å; F20-F25 HydrophobicContact CD2-CE1 4.03Å; F20-F25 HydrophobicContact CE2-CE1 4.23Å; F20-L28 HydrophobicContact CB-CD2 4.12Å; F20-L28 HydrophobicContact CD2-CD2 3.77Å; F20-L28 HydrophobicContact CG-CD2 4.45Å; F20-L48 HydrophobicContact CB-CD2 3.93Å; F20-L48 HydrophobicContact CD1-CD2 3.78Å; F20-L48 HydrophobicContact CD2-CB 4.32Å; F20-L48 HydrophobicContact CD2-CD2 3.77Å; F20-L48 HydrophobicContact CE1-CD2 4.25Å; F20-L48 HydrophobicContact CE2-CD2 4.24Å; F20-L48 HydrophobicContact CG-CD2 3.54Å; F20-L48 HydrophobicContact CZ-CD2 4.47Å; F20-K51 HydrophobicContact CE2-CB 3.68Å; F20-K51 HydrophobicContact CZ-CB 3.76Å; F20-K51 HydrophobicContact CZ-CD 4.21Å; F20-A52 HydrophobicContact CD2-CB 4.1Å; F20-A52 HydrophobicContact CE2-CB 4.07Å; F20-I55 HydrophobicContact CE2-CD1 4.34Å; F20-I55 HydrophobicContact CZ-CD1 4.03Å
21H97.9Very high97.2Very high135 Ų13560.8 Ų60.863%0.62531%0.313SS*.Hα-helixtrans-64.3-34.2-179-84.1-72.2000113.1L17 V18 G23L17-H21 PolarHBondContact O-CD2 2.95Å; L17-H21 VanDerWaalsContact O-CD2 3.24Å; L17-H21 PolarHBondContact O-N 3.43Å; V18-H21 PolarHBondContact O-N 3.31Å; H21-G23 PolarHBondContact O-N 2.99Å
22N97.6Very high97.4Very high126 Ų12658.6 Ų58.667%0.67430%0.3SS*.THydrogen-bonded Turntrans-79.5-0.5176.3-68.6-13.8000113.2V18 A19 F20 N24V18-N22 WeakPolarHBondContact O-CB 3.33Å; V18-N22 PolarHBondContact O-N 3.01Å; A19-N22 PolarHBondContact O-N 2.8Å; F20-N22 VanDerWaalsContact C-N 3.3Å; F20-N22 PolarHBondContact O-N 3.24Å; N22-N24 PolarHBondContact O-N 2.91Å
23G97.1Very high97.5Very high42 Ų4262.9 Ų62.943%0.43332%0.32SS..THydrogen-bonded Turntrans6713.6-174.400000113.8A19 F20 H21 F25A19-G23 PolarHBondContact O-N 3.3Å; F20-G23 PolarHBondContact O-N 2.89Å; H21-G23 PolarHBondContact O-N 2.99Å; G23-F25 PolarHBondContact O-N 3.21Å
24N98Very high97.4Very high81 Ų8162.7 Ų62.743%0.43333%0.328SS..  trans-82.571.4175.3-172.1-1.3000109.9A19 N22 K26 E27 L28A19-N24 PolarHBondContact O-N 2.97Å; N22-N24 PolarHBondContact O-N 2.91Å; N24-K26 VanDerWaalsContact C-N 3.31Å; N24-K26 PolarHBondContact O-N 3.42Å; N24-E27 HydrophobicContact CB-CB 4.43Å; N24-E27 WeakPolarHBondContact ND2-CB 3.47Å; N24-E27 PolarHBondContact O-N 2.93Å; N24-E27 PolarHBondContact OD1-N 3.43Å; N24-L28 PolarHBondContact O-N 2.86Å
25F98.1Very high97.3Very high25 Ų2562.1 Ų62.111%0.1132%0.317CS..Hα-helixtrans-68.5-28.6-174.6-58.4-44.6000113.4F20 G23 E27 L28 Y29 A52 I55 E56F20-F25 HydrophobicContact CD2-CD1 4.49Å; F20-F25 HydrophobicContact CD2-CE1 4.03Å; F20-F25 HydrophobicContact CE2-CE1 4.23Å; G23-F25 PolarHBondContact O-N 3.21Å; F25-E27 PolarHBondContact O-N 3.42Å; F25-L28 HydrophobicContact CD1-CD2 4.23Å; F25-L28 WeakPolarHBondContact O-CB 3.39Å; F25-L28 PolarHBondContact O-N 3.31Å; F25-Y29 HydrophobicContact CB-CD2 4.49Å; F25-Y29 HydrophobicContact CB-CE1 4.35Å; F25-Y29 HydrophobicContact CB-CE2 3.74Å; F25-Y29 WeakPolarHBondContact O-CD2 3.48Å; F25-Y29 WeakPolarHBondContact O-CE2 3.43Å; F25-Y29 PolarHBondContact O-N 3.33Å; F25-A52 HydrophobicContact CB-CB 4.43Å; F25-A52 HydrophobicContact CD1-CB 3.43Å; F25-A52 VanDerWaalsContact CD1-CB 3.43Å; F25-A52 HydrophobicContact CE1-CB 3.75Å; F25-A52 HydrophobicContact CG-CB 3.94Å; F25-A52 HydrophobicContact CZ-CB 4.47Å; F25-I55 HydrophobicContact CE2-CB 4.16Å; F25-I55 HydrophobicContact CE2-CG2 3.76Å; F25-I55 HydrophobicContact CZ-CB 4.05Å; F25-I55 HydrophobicContact CZ-CD1 3.97Å; F25-I55 HydrophobicContact CZ-CG2 3.8Å; F25-E56 HydrophobicContact CD2-CG 3.4Å; F25-E56 VanDerWaalsContact CD2-CG 3.4Å; F25-E56 HydrophobicContact CE2-CG 3.86Å; F25-E56 HydrophobicContact CG-CG 4.36Å
26K98Very high97.1Very high177 Ų17766.7 Ų66.777%0.7734%0.34SS*.Hα-helixtrans-59.4-46.6174.4-72.8-175.2177.7-179.20111.8N24 Y29 H30N24-K26 VanDerWaalsContact C-N 3.31Å; N24-K26 PolarHBondContact O-N 3.42Å; K26-Y29 PolarHBondContact O-N 3.48Å; K26-H30 WeakPolarHBondContact O-CB 3.46Å; K26-H30 PolarHBondContact O-N 3.28Å
27E97.7Very high96.8Very high80 Ų8067.3 Ų67.337%0.37434%0.343SS..Hα-helixtrans-65.7-42.2176.9-179.661.4-165.100111.4A19 N24 F25 Y29 H30 I31A19-E27 HydrophobicContact CB-CB 4.15Å; A19-E27 HydrophobicContact CB-CG 4.05Å; N24-E27 HydrophobicContact CB-CB 4.43Å; N24-E27 WeakPolarHBondContact ND2-CB 3.47Å; N24-E27 PolarHBondContact O-N 2.93Å; N24-E27 PolarHBondContact OD1-N 3.43Å; F25-E27 PolarHBondContact O-N 3.42Å; E27-Y29 PolarHBondContact O-N 2.99Å; E27-H30 PolarHBondContact O-N 3.27Å; E27-I31 HydrophobicContact CG-CD1 3.93Å; E27-I31 WeakPolarHBondContact O-CG1 3.19Å; E27-I31 PolarHBondContact O-N 3.43Å
28L98.3Very high96.5Very high0 Ų064.7 Ų64.70%033%0.333CS..Hα-helixtrans-54.7-51.2174170.467.6000111.3A16 A19 F20 N24 F25 H30 I31 L32 L48 A52A16-L28 HydrophobicContact CB-CD1 3.85Å; A16-L28 WeakPolarHBondContact O-CD1 3.22Å; A19-L28 HydrophobicContact CB-CB 4.09Å; F20-L28 HydrophobicContact CB-CD2 4.12Å; F20-L28 HydrophobicContact CD2-CD2 3.77Å; F20-L28 HydrophobicContact CG-CD2 4.45Å; N24-L28 PolarHBondContact O-N 2.86Å; F25-L28 HydrophobicContact CD1-CD2 4.23Å; F25-L28 WeakPolarHBondContact O-CB 3.39Å; F25-L28 PolarHBondContact O-N 3.31Å; L28-H30 VanDerWaalsContact C-N 3.35Å; L28-H30 PolarHBondContact O-N 2.88Å; L28-I31 PolarHBondContact O-N 3.5Å; L28-L32 HydrophobicContact CD1-CD1 3.68Å; L28-L32 HydrophobicContact CD1-CG 4.01Å; L28-L32 HydrophobicContact CG-CD1 4.06Å; L28-L32 VanDerWaalsContact O-CG 3.27Å; L28-L32 WeakPolarHBondContact O-CG 3.32Å; L28-L32 PolarHBondContact O-N 3.27Å; L28-L48 HydrophobicContact CD1-CB 4.3Å; L28-A52 HydrophobicContact CD2-CB 3.57Å
29Y98.3Very high96.2Very high24 Ų2465.7 Ų65.79%0.09434%0.339CS..Hα-helixtrans-61.8-45.5-179.1-55.1-34.2000111F25 K26 E27 I31 L32 E33 W49 A52 H53 E56F25-Y29 HydrophobicContact CB-CD2 4.49Å; F25-Y29 HydrophobicContact CB-CE1 4.35Å; F25-Y29 HydrophobicContact CB-CE2 3.74Å; F25-Y29 WeakPolarHBondContact O-CD2 3.48Å; F25-Y29 WeakPolarHBondContact O-CE2 3.43Å; F25-Y29 PolarHBondContact O-N 3.33Å; K26-Y29 PolarHBondContact O-N 3.48Å; E27-Y29 PolarHBondContact O-N 2.99Å; Y29-I31 PolarHBondContact O-N 3.03Å; Y29-L32 PolarHBondContact O-N 3.42Å; Y29-L32 VanDerWaalsContact O-N 3.15Å; Y29-E33 WeakPolarHBondContact O-CB 3.44Å; Y29-E33 VanDerWaalsContact O-CG 3.31Å; Y29-E33 WeakPolarHBondContact O-CG 3.31Å; Y29-E33 PolarHBondContact O-N 3.37Å; Y29-W49 HydrophobicContact CD1-CD2 4.43Å; Y29-W49 AromaticContact CD1-CE3 3.76Å; Y29-W49 HydrophobicContact CD1-CE3 3.76Å; Y29-W49 HydrophobicContact CD1-CH2 4.32Å; Y29-W49 AromaticContact CD1-CZ3 3.69Å; Y29-W49 HydrophobicContact CD1-CZ3 3.69Å; Y29-W49 HydrophobicContact CE1-CE3 4.45Å; Y29-W49 HydrophobicContact CG-CZ3 4.08Å; Y29-A52 HydrophobicContact CE1-CB 3.71Å; Y29-A52 WeakPolarHBondContact OH-CB 3.41Å; Y29-H53 AromaticContact CE1-CD2 3.96Å; Y29-H53 AromaticContact CE1-CE1 3.73Å; Y29-H53 AromaticContact CE1-NE2 3.65Å; Y29-H53 AromaticContact CE2-CE1 3.7Å; Y29-H53 AromaticContact CZ-CE1 3.4Å; Y29-H53 AromaticContact CZ-ND1 3.58Å; Y29-H53 AromaticContact CZ-NE2 3.82Å; Y29-H53 PolarHBondContact OH-N 3.1Å; Y29-H53 PolarHBondContact OH-ND1 3.33Å; Y29-E56 VanDerWaalsContact CE2-OE2 3.31Å; Y29-E56 WeakPolarHBondContact CE2-OE2 3.45Å; Y29-E56 PolarHBondContact OH-OE2 3.22Å
30H97.8Very high95.8Very high106 Ų10672.3 Ų72.349%0.49137%0.369SS..Hα-helixtrans-56.4-47.9177.6-177.266.5000112.4K26 E27 L28 L32 E33 T34K26-H30 WeakPolarHBondContact O-CB 3.46Å; K26-H30 PolarHBondContact O-N 3.28Å; E27-H30 PolarHBondContact O-N 3.27Å; L28-H30 VanDerWaalsContact C-N 3.35Å; L28-H30 PolarHBondContact O-N 2.88Å; H30-L32 VanDerWaalsContact C-N 3.34Å; H30-L32 PolarHBondContact O-N 3.15Å; H30-E33 PolarHBondContact O-N 3.15Å; H30-T34 WeakPolarHBondContact O-CB 3.43Å; H30-T34 WeakPolarHBondContact O-CG2 3.36Å; H30-T34 PolarHBondContact O-N 3.24Å; H30-T34 VanDerWaalsContact O-N 3.13Å; H30-T34 PolarHBondContact O-OG1 3.4Å
31I96.7Very high95.6Very high6 Ų671.3 Ų71.33%0.03137%0.365CS..Hα-helixtrans-59.8-46.6177.5-68164.7000110.7L12 K15 A16 E27 L28 Y29 N35 F37L12-I31 HydrophobicContact CB-CG2 4.43Å; L12-I31 HydrophobicContact CD2-CG2 4.4Å; K15-I31 HydrophobicContact CB-CD1 3.78Å; A16-I31 HydrophobicContact CB-CG2 4.05Å; E27-I31 HydrophobicContact CG-CD1 3.93Å; E27-I31 WeakPolarHBondContact O-CG1 3.19Å; E27-I31 PolarHBondContact O-N 3.43Å; L28-I31 PolarHBondContact O-N 3.5Å; Y29-I31 PolarHBondContact O-N 3.03Å; I31-N35 PolarHBondContact O-N 3.48Å; I31-N35 PolarHBondContact O-ND2 3.37Å; I31-F37 HydrophobicContact CG2-CZ 4.07Å
32L97.3Very high95.4Very high0 Ų065.7 Ų65.70%034%0.339CS..Hα-helixtrans-70.3-32-176.2-65.8-175.7000112.9A16 L28 Y29 H30 F37 L45 W49 T82 I83A16-L32 HydrophobicContact CB-CD2 4.25Å; L28-L32 HydrophobicContact CD1-CD1 3.68Å; L28-L32 HydrophobicContact CD1-CG 4.01Å; L28-L32 HydrophobicContact CG-CD1 4.06Å; L28-L32 VanDerWaalsContact O-CG 3.27Å; L28-L32 WeakPolarHBondContact O-CG 3.32Å; L28-L32 PolarHBondContact O-N 3.27Å; Y29-L32 PolarHBondContact O-N 3.42Å; Y29-L32 VanDerWaalsContact O-N 3.15Å; H30-L32 VanDerWaalsContact C-N 3.34Å; H30-L32 PolarHBondContact O-N 3.15Å; L32-F37 HydrophobicContact CD2-CE2 4.18Å; L32-F37 HydrophobicContact CD2-CZ 4.28Å; L32-L45 HydrophobicContact CD2-CB 3.98Å; L32-L45 HydrophobicContact CD2-CD1 4.22Å; L32-L45 HydrophobicContact CD2-CD2 3.9Å; L32-L45 HydrophobicContact CD2-CG 4.23Å; L32-W49 HydrophobicContact CB-CE3 4.17Å; L32-W49 HydrophobicContact CB-CZ3 4.42Å; L32-W49 HydrophobicContact CD1-CB 4.1Å; L32-W49 HydrophobicContact CD1-CE3 3.96Å; L32-T82 VanDerWaalsContact O-CB 3.25Å; L32-T82 WeakPolarHBondContact O-CB 3.45Å; L32-T82 PolarHBondContact O-OG1 3.32Å; L32-I83 HydrophobicContact CB-CD1 4.42Å; L32-I83 HydrophobicContact CD1-CD1 4.17Å; L32-I83 HydrophobicContact CD2-CG2 4.27Å
33E96.3Very high95.1Very high104 Ų10462.7 Ų62.749%0.48633%0.332SS..Hα-helixtrans-83-26.9-178.8-71.8176.2141.100113.6Y29 H30 W49 P80 T82Y29-E33 WeakPolarHBondContact O-CB 3.44Å; Y29-E33 VanDerWaalsContact O-CG 3.31Å; Y29-E33 WeakPolarHBondContact O-CG 3.31Å; Y29-E33 PolarHBondContact O-N 3.37Å; H30-E33 PolarHBondContact O-N 3.15Å; E33-W49 HydrophobicContact CG-CH2 3.87Å; E33-W49 HydrophobicContact CG-CZ3 3.79Å; E33-W49 WeakPolarHBondContact OE1-CH2 3.42Å; E33-P80 HydrophobicContact CG-CB 3.97Å; E33-P80 HydrophobicContact CG-CG 4.07Å; E33-T82 WeakPolarHBondContact O-CG2 3.47Å
34T95Very high95.1Very high79 Ų7967.9 Ų67.949%0.48534%0.342SS..Hα-helixtrans-100.2-11.9-17057.40000115H30H30-T34 WeakPolarHBondContact O-CB 3.43Å; H30-T34 WeakPolarHBondContact O-CG2 3.36Å; H30-T34 PolarHBondContact O-N 3.24Å; H30-T34 VanDerWaalsContact O-N 3.13Å; H30-T34 PolarHBondContact O-OG1 3.4Å
35N94.1Very high95Very high40 Ų4064.3 Ų64.321%0.21432%0.323CS..SBendtrans-124.2137.8-175.8-57.5-84.4000110.8L12 I31 F37 T82L12-N35 HydrophobicContact CD1-CB 3.74Å; I31-N35 PolarHBondContact O-N 3.48Å; I31-N35 PolarHBondContact O-ND2 3.37Å; N35-F37 HydrophobicContact CB-CE2 3.92Å; N35-F37 HydrophobicContact CB-CZ 4.08Å; N35-F37 WeakPolarHBondContact O-CD2 3.48Å; N35-F37 WeakPolarHBondContact O-CE2 3.27Å; N35-T82 WeakPolarHBondContact O-CB 3.44Å; N35-T82 VanDerWaalsContact O-CG2 3.23Å; N35-T82 WeakPolarHBondContact O-CG2 3.32Å
36Q90.9Very high94.9Very high174 Ų17465.3 Ų65.381%0.81333%0.328SS*.  trans-78.6141.7170.9-69.6-15912.300110.9T82Q36-T82 HydrophobicContact CG-CG2 4.43Å
37F92.3Very high94.9Very high13 Ų1359.9 Ų59.96%0.05731%0.31CS..  trans-121.7150.7177.9-64.5-91.6000110.2E9 L12 R13 I31 L32 N35 H42 L45 T82 I83E9-F37 HydrophobicContact CG-CD1 3.53Å; E9-F37 HydrophobicContact CG-CE1 4.15Å; E9-F37 HydrophobicContact CG-CG 4.42Å; L12-F37 HydrophobicContact CB-CE1 3.82Å; L12-F37 HydrophobicContact CB-CZ 4.08Å; R13-F37 HydrophobicContact CG-CD1 3.95Å; R13-F37 HydrophobicContact CG-CE1 3.91Å; I31-F37 HydrophobicContact CG2-CZ 4.07Å; L32-F37 HydrophobicContact CD2-CE2 4.18Å; L32-F37 HydrophobicContact CD2-CZ 4.28Å; N35-F37 HydrophobicContact CB-CE2 3.92Å; N35-F37 HydrophobicContact CB-CZ 4.08Å; N35-F37 WeakPolarHBondContact O-CD2 3.48Å; N35-F37 WeakPolarHBondContact O-CE2 3.27Å; F37-H42 PolarHBondContact O-NE2 2.65Å; F37-L45 HydrophobicContact CB-CD1 3.69Å; F37-L45 HydrophobicContact CD1-CD1 3.34Å; F37-L45 HydrophobicContact CD2-CD1 3.79Å; F37-L45 HydrophobicContact CE1-CD1 3.86Å; F37-L45 HydrophobicContact CE2-CD1 4.25Å; F37-L45 HydrophobicContact CG-CD1 3.3Å; F37-L45 HydrophobicContact CZ-CD1 4.28Å; F37-T82 PolarHBondContact N-O 3.37Å; F37-I83 HydrophobicContact CB-CG2 4.38Å; F37-I83 HydrophobicContact CD2-CG2 3.51Å; F37-I83 HydrophobicContact CE2-CG2 4.12Å; F37-I83 HydrophobicContact CG-CG2 4.18Å
38A91Very high94.9Very high26 Ų2657 Ų5722%0.21530%0.298CS..  trans-66146.1174.100000111.1E9 E40 N41 H42E9-A38 VanDerWaalsContact CD-N 3.26Å; E9-A38 PolarHBondContact OE1-N 3.36Å; E9-A38 WeakPolarHBondContact OE2-CB 3.44Å; E9-A38 PolarHBondContact OE2-N 3.01Å; E9-A38 VanDerWaalsContact OE2-N 3.09Å; A38-E40 HydrophobicContact CB-CG 4.44Å; A38-E40 WeakPolarHBondContact CB-OE1 3.45Å; A38-E40 VanDerWaalsContact CB-OE2 3.25Å; A38-E40 WeakPolarHBondContact CB-OE2 3.38Å; A38-E40 PolarHBondContact O-N 3.05Å; A38-N41 WeakPolarHBondContact O-CB 3.31Å; A38-N41 PolarHBondContact O-N 3.44Å; A38-H42 PolarHBondContact O-CD2 3.38Å; A38-H42 PolarHBondContact O-N 3.37Å
39V90Very high94.9Very high102 Ų10257.4 Ų57.462%0.61830%0.299SS*.Hα-helixtrans-59.5-35.5-170.5177.80000111.8N41 H42V39-N41 PolarHBondContact O-N 3.15Å; V39-N41 VanDerWaalsContact O-N 3.12Å; V39-H42 WeakPolarHBondContact O-CB 3.41Å; V39-H42 PolarHBondContact O-N 2.85Å; V39-H42 VanDerWaalsContact O-N 3.08Å
40E91Very high94.8Very high144 Ų14458.1 Ų58.167%0.67330%0.304SS*.Hα-helixtrans-61-22.1176.566-87.6-160.100113.4A38A38-E40 HydrophobicContact CB-CG 4.44Å; A38-E40 WeakPolarHBondContact CB-OE1 3.45Å; A38-E40 VanDerWaalsContact CB-OE2 3.25Å; A38-E40 WeakPolarHBondContact CB-OE2 3.38Å; A38-E40 PolarHBondContact O-N 3.05Å
41N93Very high94.8Very high13 Ų1358.4 Ų58.47%0.0730%0.304CS..Hα-helixtrans-94.2-16.4179.2-63.1-46.3000112.8E9 R13 A38 V39 A43 K44 L45E9-N41 PolarHBondContact OE1-ND2 2.91Å; R13-N41 VanDerWaalsContact CZ-CG 3.48Å; R13-N41 VanDerWaalsContact NH1-CG 3.25Å; R13-N41 PolarHBondContact NH1-ND2 3.27Å; R13-N41 PolarHBondContact NH1-OD1 3.37Å; R13-N41 PolarHBondContact NH2-OD1 2.98Å; A38-N41 WeakPolarHBondContact O-CB 3.31Å; A38-N41 PolarHBondContact O-N 3.44Å; V39-N41 PolarHBondContact O-N 3.15Å; V39-N41 VanDerWaalsContact O-N 3.12Å; N41-A43 PolarHBondContact O-N 3.13Å; N41-K44 PolarHBondContact O-N 3.43Å; N41-L45 HydrophobicContact CB-CD1 4.37Å; N41-L45 WeakPolarHBondContact O-CG 3.33Å; N41-L45 PolarHBondContact O-N 2.99Å
42H93.9Very high94.9Very high17 Ų1758.1 Ų58.18%0.07930%0.303CS..Hα-helixtrans-54.1-49-175.7-73.7-167.9000112F37 A38 V39 K44 L45 Q46 I83F37-H42 PolarHBondContact O-NE2 2.65Å; A38-H42 PolarHBondContact O-CD2 3.38Å; A38-H42 PolarHBondContact O-N 3.37Å; V39-H42 WeakPolarHBondContact O-CB 3.41Å; V39-H42 PolarHBondContact O-N 2.85Å; V39-H42 VanDerWaalsContact O-N 3.08Å; H42-K44 VanDerWaalsContact C-N 3.28Å; H42-K44 PolarHBondContact O-N 3.48Å; H42-K44 VanDerWaalsContact O-N 3.16Å; H42-L45 PolarHBondContact O-N 3.27Å; H42-Q46 WeakPolarHBondContact O-CB 3.39Å; H42-Q46 WeakPolarHBondContact O-CG 3.39Å; H42-Q46 PolarHBondContact O-N 2.93Å; H42-I83 WeakPolarHBondContact CB-O 3.34Å; H42-I83 PolarHBondContact ND1-O 3.08Å
43A93Very high95Very high64 Ų6458.6 Ų58.653%0.52931%0.305SS..Hα-helixtrans-55-40.6-176.600000113.6N41 T47N41-A43 PolarHBondContact O-N 3.13Å; A43-T47 PolarHBondContact O-N 3.39Å; A43-T47 PolarHBondContact O-OG1 2.97Å
44K95.8Very high95.1Very high150 Ų15055.1 Ų55.165%0.65229%0.288SS*.Hα-helixtrans-71.2-43177.6-74.2176.9-178.3170.50111.4N41 H42 T47 L48N41-K44 PolarHBondContact O-N 3.43Å; H42-K44 VanDerWaalsContact C-N 3.28Å; H42-K44 PolarHBondContact O-N 3.48Å; H42-K44 VanDerWaalsContact O-N 3.16Å; K44-T47 WeakPolarHBondContact O-CB 3.43Å; K44-T47 PolarHBondContact O-N 2.98Å; K44-L48 PolarHBondContact O-N 2.98Å; K44-L48 VanDerWaalsContact O-N 3.12Å
45L96.9Very high95.2Very high6 Ų654.9 Ų54.93%0.03128%0.282CS..Hα-helixtrans-70-40-178.9-59.9177.5000112.2R13 L32 F37 N41 H42 T47 L48 W49 I83R13-L45 HydrophobicContact CG-CD1 4.49Å; R13-L45 HydrophobicContact CG-CD2 4.29Å; L32-L45 HydrophobicContact CD2-CB 3.98Å; L32-L45 HydrophobicContact CD2-CD1 4.22Å; L32-L45 HydrophobicContact CD2-CD2 3.9Å; L32-L45 HydrophobicContact CD2-CG 4.23Å; F37-L45 HydrophobicContact CB-CD1 3.69Å; F37-L45 HydrophobicContact CD1-CD1 3.34Å; F37-L45 HydrophobicContact CD2-CD1 3.79Å; F37-L45 HydrophobicContact CE1-CD1 3.86Å; F37-L45 HydrophobicContact CE2-CD1 4.25Å; F37-L45 HydrophobicContact CG-CD1 3.3Å; F37-L45 HydrophobicContact CZ-CD1 4.28Å; N41-L45 HydrophobicContact CB-CD1 4.37Å; N41-L45 WeakPolarHBondContact O-CG 3.33Å; N41-L45 PolarHBondContact O-N 2.99Å; H42-L45 PolarHBondContact O-N 3.27Å; L45-T47 PolarHBondContact O-N 2.88Å; L45-L48 HydrophobicContact CD2-CD1 4.32Å; L45-L48 WeakPolarHBondContact O-CB 3.36Å; L45-L48 PolarHBondContact O-N 3.45Å; L45-L48 VanDerWaalsContact O-N 3.13Å; L45-W49 PolarHBondContact O-N 3.12Å; L45-I83 HydrophobicContact CB-CB 4.26Å; L45-I83 HydrophobicContact CB-CD1 4.21Å; L45-I83 HydrophobicContact CB-CG2 3.92Å; L45-I83 HydrophobicContact CD1-CG2 3.78Å
46Q96.1Very high95.4Very high46 Ų4656.9 Ų56.922%0.21529%0.291CS..Hα-helixtrans-58.5-39.5171.1-67.51721.300111H42 W49 L50 L79 I83H42-Q46 WeakPolarHBondContact O-CB 3.39Å; H42-Q46 WeakPolarHBondContact O-CG 3.39Å; H42-Q46 PolarHBondContact O-N 2.93Å; Q46-W49 PolarHBondContact O-N 3.18Å; Q46-L50 WeakPolarHBondContact O-CB 3.3Å; Q46-L50 VanDerWaalsContact O-CG 3.25Å; Q46-L50 WeakPolarHBondContact O-CG 3.41Å; Q46-L50 PolarHBondContact O-N 3.01Å; Q46-L79 HydrophobicContact CB-CD1 4.19Å; Q46-L79 HydrophobicContact CB-CD2 3.82Å; Q46-L79 HydrophobicContact CG-CD1 3.69Å; Q46-L79 HydrophobicContact CG-CD2 3.82Å; Q46-L79 HydrophobicContact CG-CG 4.31Å; Q46-I83 HydrophobicContact CG-CD1 4.31Å; Q46-I83 HydrophobicContact CG-CG1 4.3Å; Q46-I83 VanDerWaalsContact CG-O 3.29Å; Q46-I83 WeakPolarHBondContact CG-O 3.28Å; Q46-I83 PolarHBondContact NE2-O 2.95Å
47T96.8Very high95.7Very high63 Ų6349.7 Ų49.739%0.38726%0.26SS..Hα-helixtrans-63.1-42.4175.5-62.40000111.8A43 K44 L45 K51A43-T47 PolarHBondContact O-N 3.39Å; A43-T47 PolarHBondContact O-OG1 2.97Å; K44-T47 WeakPolarHBondContact O-CB 3.43Å; K44-T47 PolarHBondContact O-N 2.98Å; L45-T47 PolarHBondContact O-N 2.88Å; T47-K51 HydrophobicContact CG2-CD 3.93Å; T47-K51 HydrophobicContact CG2-CG 4.34Å; T47-K51 VanDerWaalsContact O-CB 3.31Å; T47-K51 WeakPolarHBondContact O-CB 3.36Å; T47-K51 VanDerWaalsContact O-CG 3.28Å; T47-K51 WeakPolarHBondContact O-CG 3.49Å; T47-K51 PolarHBondContact O-N 2.85Å
48L97.8Very high95.9Very high21 Ų2151.9 Ų51.911%0.1127%0.271CS..Hα-helixtrans-62.9-48.8176-68.9174.5000111.4L17 F20 L28 K44 L45 L50 K51 A52L17-L48 HydrophobicContact CD1-CD1 4.39Å; L17-L48 HydrophobicContact CD1-CD2 4.16Å; F20-L48 HydrophobicContact CB-CD2 3.93Å; F20-L48 HydrophobicContact CD1-CD2 3.78Å; F20-L48 HydrophobicContact CD2-CB 4.32Å; F20-L48 HydrophobicContact CD2-CD2 3.77Å; F20-L48 HydrophobicContact CE1-CD2 4.25Å; F20-L48 HydrophobicContact CE2-CD2 4.24Å; F20-L48 HydrophobicContact CG-CD2 3.54Å; F20-L48 HydrophobicContact CZ-CD2 4.47Å; L28-L48 HydrophobicContact CD1-CB 4.3Å; K44-L48 PolarHBondContact O-N 2.98Å; K44-L48 VanDerWaalsContact O-N 3.12Å; L45-L48 HydrophobicContact CD2-CD1 4.32Å; L45-L48 WeakPolarHBondContact O-CB 3.36Å; L45-L48 PolarHBondContact O-N 3.45Å; L45-L48 VanDerWaalsContact O-N 3.13Å; L48-L50 PolarHBondContact O-N 2.95Å; L48-K51 PolarHBondContact O-N 3.13Å; L48-A52 WeakPolarHBondContact O-CB 3.18Å; L48-A52 PolarHBondContact O-N 3.3Å
49W98Very high96.2Very high7 Ų759.5 Ų59.53%0.02730%0.299CS..Hα-helixtrans-52.5-53.4176.5179.1-88.7000111.9Y29 L32 E33 L45 Q46 A52 H53 F77 P78 L79 P80 I83Y29-W49 HydrophobicContact CD1-CD2 4.43Å; Y29-W49 AromaticContact CD1-CE3 3.76Å; Y29-W49 HydrophobicContact CD1-CE3 3.76Å; Y29-W49 HydrophobicContact CD1-CH2 4.32Å; Y29-W49 AromaticContact CD1-CZ3 3.69Å; Y29-W49 HydrophobicContact CD1-CZ3 3.69Å; Y29-W49 HydrophobicContact CE1-CE3 4.45Å; Y29-W49 HydrophobicContact CG-CZ3 4.08Å; L32-W49 HydrophobicContact CB-CE3 4.17Å; L32-W49 HydrophobicContact CB-CZ3 4.42Å; L32-W49 HydrophobicContact CD1-CB 4.1Å; L32-W49 HydrophobicContact CD1-CE3 3.96Å; E33-W49 HydrophobicContact CG-CH2 3.87Å; E33-W49 HydrophobicContact CG-CZ3 3.79Å; E33-W49 WeakPolarHBondContact OE1-CH2 3.42Å; L45-W49 PolarHBondContact O-N 3.12Å; Q46-W49 PolarHBondContact O-N 3.18Å; W49-A52 PolarHBondContact O-N 3.44Å; W49-H53 AromaticContact CD1-CD2 3.78Å; W49-H53 AromaticContact CD2-NE2 3.96Å; W49-H53 AromaticContact CE2-CD2 3.59Å; W49-H53 AromaticContact CE2-NE2 3.33Å; W49-H53 VanDerWaalsContact CE2-NE2 3.33Å; W49-H53 AromaticContact CH2-NE2 3.91Å; W49-H53 AromaticContact CZ2-NE2 3.32Å; W49-H53 VanDerWaalsContact CZ2-NE2 3.32Å; W49-H53 WeakPolarHBondContact CZ2-NE2 3.36Å; W49-H53 AromaticContact NE1-CD2 3.42Å; W49-H53 PolarHBondContact NE1-CD2 3.4Å; W49-H53 AromaticContact NE1-NE2 3.64Å; W49-H53 PolarHBondContact O-CD2 2.98Å; W49-H53 PolarHBondContact O-N 3.13Å; W49-H53 VanDerWaalsContact O-N 3.15Å; W49-F77 PolarHBondContact NE1-O 3.36Å; W49-P78 PolarHBondContact NE1-O 3.26Å; W49-L79 HydrophobicContact CB-CD2 4.28Å; W49-L79 HydrophobicContact CG-CD2 4.06Å; W49-P80 HydrophobicContact CD2-CG 4.38Å; W49-P80 HydrophobicContact CE3-CG 4.01Å; W49-P80 HydrophobicContact CH2-CG 4.1Å; W49-P80 HydrophobicContact CZ2-CG 4.43Å; W49-P80 HydrophobicContact CZ3-CG 3.87Å; W49-I83 HydrophobicContact CB-CD1 4.25Å
50L97.4Very high96.4Very high40 Ų4062 Ų6221%0.20931%0.309CS..Hα-helixtrans-64.9-43.9-178.2-70.1177.9000112.2Q46 L48 Y54 R74 L79Q46-L50 WeakPolarHBondContact O-CB 3.3Å; Q46-L50 VanDerWaalsContact O-CG 3.25Å; Q46-L50 WeakPolarHBondContact O-CG 3.41Å; Q46-L50 PolarHBondContact O-N 3.01Å; L48-L50 PolarHBondContact O-N 2.95Å; L50-Y54 HydrophobicContact CB-CE2 4.09Å; L50-Y54 WeakPolarHBondContact O-CD2 3.25Å; L50-Y54 PolarHBondContact O-N 2.99Å; L50-R74 HydrophobicContact CD2-CG 3.67Å; L50-L79 HydrophobicContact CG-CD2 4.32Å
51K97.9Very high96.5Very high112 Ų11261.9 Ų61.949%0.48730%0.302SS..Hα-helixtrans-63.4-43.4178.6-77.8-179.7178.6179.50111.6F20 T47 L48 Y54 I55F20-K51 HydrophobicContact CE2-CB 3.68Å; F20-K51 HydrophobicContact CZ-CB 3.76Å; F20-K51 HydrophobicContact CZ-CD 4.21Å; T47-K51 HydrophobicContact CG2-CD 3.93Å; T47-K51 HydrophobicContact CG2-CG 4.34Å; T47-K51 VanDerWaalsContact O-CB 3.31Å; T47-K51 WeakPolarHBondContact O-CB 3.36Å; T47-K51 VanDerWaalsContact O-CG 3.28Å; T47-K51 WeakPolarHBondContact O-CG 3.49Å; T47-K51 PolarHBondContact O-N 2.85Å; L48-K51 PolarHBondContact O-N 3.13Å; K51-Y54 PolarHBondContact O-N 3.4Å; K51-I55 VanDerWaalsContact O-CG1 3.28Å; K51-I55 WeakPolarHBondContact O-CG1 3.37Å; K51-I55 PolarHBondContact O-N 3.37Å
52A98.4Very high96.7Very high0 Ų064.7 Ų64.70%033%0.334CS..Hα-helixtrans-60.2-49.2179.700000110.9F20 F25 L28 Y29 L48 W49 Y54 I55 E56F20-A52 HydrophobicContact CD2-CB 4.1Å; F20-A52 HydrophobicContact CE2-CB 4.07Å; F25-A52 HydrophobicContact CB-CB 4.43Å; F25-A52 HydrophobicContact CD1-CB 3.43Å; F25-A52 VanDerWaalsContact CD1-CB 3.43Å; F25-A52 HydrophobicContact CE1-CB 3.75Å; F25-A52 HydrophobicContact CG-CB 3.94Å; F25-A52 HydrophobicContact CZ-CB 4.47Å; L28-A52 HydrophobicContact CD2-CB 3.57Å; Y29-A52 HydrophobicContact CE1-CB 3.71Å; Y29-A52 WeakPolarHBondContact OH-CB 3.41Å; L48-A52 WeakPolarHBondContact O-CB 3.18Å; L48-A52 PolarHBondContact O-N 3.3Å; W49-A52 PolarHBondContact O-N 3.44Å; A52-Y54 VanDerWaalsContact C-N 3.33Å; A52-Y54 PolarHBondContact O-N 2.92Å; A52-I55 PolarHBondContact O-N 2.94Å; A52-I55 VanDerWaalsContact O-N 3.16Å; A52-E56 PolarHBondContact O-N 3.05Å
53H98.5Very high96.7Very high10 Ų1071.1 Ų71.15%0.04636%0.358CS..Hα-helixtrans-64.5-33.8176-77.5-54.9000113.6Y29 W49 E56 A57 V73 F77Y29-H53 AromaticContact CE1-CD2 3.96Å; Y29-H53 AromaticContact CE1-CE1 3.73Å; Y29-H53 AromaticContact CE1-NE2 3.65Å; Y29-H53 AromaticContact CE2-CE1 3.7Å; Y29-H53 AromaticContact CZ-CE1 3.4Å; Y29-H53 AromaticContact CZ-ND1 3.58Å; Y29-H53 AromaticContact CZ-NE2 3.82Å; Y29-H53 PolarHBondContact OH-N 3.1Å; Y29-H53 PolarHBondContact OH-ND1 3.33Å; W49-H53 AromaticContact CD1-CD2 3.78Å; W49-H53 AromaticContact CD2-NE2 3.96Å; W49-H53 AromaticContact CE2-CD2 3.59Å; W49-H53 AromaticContact CE2-NE2 3.33Å; W49-H53 VanDerWaalsContact CE2-NE2 3.33Å; W49-H53 AromaticContact CH2-NE2 3.91Å; W49-H53 AromaticContact CZ2-NE2 3.32Å; W49-H53 VanDerWaalsContact CZ2-NE2 3.32Å; W49-H53 WeakPolarHBondContact CZ2-NE2 3.36Å; W49-H53 AromaticContact NE1-CD2 3.42Å; W49-H53 PolarHBondContact NE1-CD2 3.4Å; W49-H53 AromaticContact NE1-NE2 3.64Å; W49-H53 PolarHBondContact O-CD2 2.98Å; W49-H53 PolarHBondContact O-N 3.13Å; W49-H53 VanDerWaalsContact O-N 3.15Å; H53-E56 IonicContact ND1-OE2 2.7Å; H53-A57 WeakPolarHBondContact O-CB 3.44Å; H53-A57 PolarHBondContact O-N 3.37Å; H53-V73 HydrophobicContact CB-CG1 3.59Å; H53-F77 HydrophobicContact CB-CD2 4.34Å; H53-F77 AromaticContact CE1-CD1 3.62Å; H53-F77 AromaticContact CE1-CG 3.56Å; H53-F77 AromaticContact CG-CD2 3.92Å; H53-F77 AromaticContact CG-CG 3.99Å; H53-F77 AromaticContact ND1-CD2 3.68Å; H53-F77 AromaticContact ND1-CG 3.7Å; H53-F77 WeakPolarHBondContact NE2-CB 3.49Å; H53-F77 AromaticContact NE2-CG 3.75Å
54Y98.1Very high96.8Very high31 Ų3173.3 Ų73.312%0.12237%0.366CS..Hα-helixtrans-65.1-45172.5-63.1-26.2000111.5L50 K51 A52 E56 A57 E58 L65 K70 V73 R74L50-Y54 HydrophobicContact CB-CE2 4.09Å; L50-Y54 WeakPolarHBondContact O-CD2 3.25Å; L50-Y54 PolarHBondContact O-N 2.99Å; K51-Y54 PolarHBondContact O-N 3.4Å; A52-Y54 VanDerWaalsContact C-N 3.33Å; A52-Y54 PolarHBondContact O-N 2.92Å; Y54-E56 PolarHBondContact O-N 3.17Å; Y54-A57 PolarHBondContact O-N 3.29Å; Y54-E58 WeakPolarHBondContact O-CB 3.12Å; Y54-E58 VanDerWaalsContact O-CG 3.28Å; Y54-E58 WeakPolarHBondContact O-CG 3.28Å; Y54-E58 PolarHBondContact O-N 3.46Å; Y54-L65 HydrophobicContact CD1-CD1 4.09Å; Y54-L65 HydrophobicContact CG-CD1 4.42Å; Y54-K70 HydrophobicContact CD1-CB 4.27Å; Y54-K70 HydrophobicContact CD1-CG 4.04Å; Y54-K70 HydrophobicContact CD2-CD 4.32Å; Y54-K70 HydrophobicContact CD2-CG 4.46Å; Y54-K70 HydrophobicContact CE1-CB 3.68Å; Y54-K70 HydrophobicContact CE1-CG 3.9Å; Y54-K70 HydrophobicContact CE2-CD 4.12Å; Y54-K70 HydrophobicContact CE2-CG 4.34Å; Y54-K70 HydrophobicContact CG-CG 4.35Å; Y54-V73 HydrophobicContact CD1-CB 3.95Å; Y54-V73 HydrophobicContact CD1-CG1 3.73Å; Y54-V73 HydrophobicContact CD1-CG2 4.35Å; Y54-V73 HydrophobicContact CE1-CB 3.93Å; Y54-V73 HydrophobicContact CE1-CG1 3.9Å; Y54-R74 HydrophobicContact CE1-CG 4.29Å; Y54-R74 WeakPolarHBondContact OH-CD 3.16Å; Y54-R74 VanDerWaalsContact OH-CG 3.3Å; Y54-R74 WeakPolarHBondContact OH-CG 3.49Å; Y54-R74 PolarHBondContact OH-NH1 3.01Å
55I97.9Very high96.8Very high73 Ų7366.8 Ų66.837%0.37434%0.339SS..Hα-helixtrans-59.8-47.7178.4-69163.6000110.5F20 F25 K51 A52 A57 E58 K59F20-I55 HydrophobicContact CE2-CD1 4.34Å; F20-I55 HydrophobicContact CZ-CD1 4.03Å; F25-I55 HydrophobicContact CE2-CB 4.16Å; F25-I55 HydrophobicContact CE2-CG2 3.76Å; F25-I55 HydrophobicContact CZ-CB 4.05Å; F25-I55 HydrophobicContact CZ-CD1 3.97Å; F25-I55 HydrophobicContact CZ-CG2 3.8Å; K51-I55 VanDerWaalsContact O-CG1 3.28Å; K51-I55 WeakPolarHBondContact O-CG1 3.37Å; K51-I55 PolarHBondContact O-N 3.37Å; A52-I55 PolarHBondContact O-N 2.94Å; A52-I55 VanDerWaalsContact O-N 3.16Å; I55-A57 VanDerWaalsContact C-N 3.34Å; I55-A57 PolarHBondContact O-N 3.29Å; I55-E58 PolarHBondContact O-N 3.48Å; I55-K59 WeakPolarHBondContact O-CB 3.23Å; I55-K59 PolarHBondContact O-N 3.4Å
56E97.6Very high96.7Very high83 Ų8368.8 Ų68.839%0.38836%0.361SS..Hα-helixtrans-61.5-43.1177.6-71.1-168.1108.900112.2F25 Y29 A52 H53 Y54 K59 L60F25-E56 HydrophobicContact CD2-CG 3.4Å; F25-E56 VanDerWaalsContact CD2-CG 3.4Å; F25-E56 HydrophobicContact CE2-CG 3.86Å; F25-E56 HydrophobicContact CG-CG 4.36Å; Y29-E56 VanDerWaalsContact CE2-OE2 3.31Å; Y29-E56 WeakPolarHBondContact CE2-OE2 3.45Å; Y29-E56 PolarHBondContact OH-OE2 3.22Å; A52-E56 PolarHBondContact O-N 3.05Å; H53-E56 IonicContact ND1-OE2 2.7Å; Y54-E56 PolarHBondContact O-N 3.17Å; E56-K59 PolarHBondContact O-N 3.21Å; E56-L60 WeakPolarHBondContact O-CB 3.13Å; E56-L60 PolarHBondContact O-N 2.89Å
57A97.4Very high96.6Very high22 Ų2270.6 Ų70.618%0.18238%0.384CS..Hα-helixtrans-69.6-33.9179.300000112.9H53 Y54 I55 R61 L65 V73H53-A57 WeakPolarHBondContact O-CB 3.44Å; H53-A57 PolarHBondContact O-N 3.37Å; Y54-A57 PolarHBondContact O-N 3.29Å; I55-A57 VanDerWaalsContact C-N 3.34Å; I55-A57 PolarHBondContact O-N 3.29Å; A57-R61 WeakPolarHBondContact O-CB 3.25Å; A57-R61 WeakPolarHBondContact O-CG 3.34Å; A57-R61 PolarHBondContact O-N 3.5Å; A57-R61 VanDerWaalsContact O-N 3.1Å; A57-L65 HydrophobicContact CB-CD1 3.85Å; A57-V73 HydrophobicContact CB-CG2 3.65Å
58E97.6Very high96.5Very high60 Ų6072.2 Ų72.228%0.2839%0.393SS..Hα-helixtrans-67.3-45.2172.3-75.1178.115500111Y54 I55 L60 R61 G62 P64 L65Y54-E58 WeakPolarHBondContact O-CB 3.12Å; Y54-E58 VanDerWaalsContact O-CG 3.28Å; Y54-E58 WeakPolarHBondContact O-CG 3.28Å; Y54-E58 PolarHBondContact O-N 3.46Å; I55-E58 PolarHBondContact O-N 3.48Å; E58-L60 VanDerWaalsContact C-N 3.31Å; E58-L60 PolarHBondContact O-N 3.2Å; E58-R61 PolarHBondContact O-N 3.01Å; E58-R61 VanDerWaalsContact O-N 3.16Å; E58-G62 PolarHBondContact O-N 2.52Å; E58-P64 WeakPolarHBondContact OE1-CA 3.14Å; E58-L65 HydrophobicContact CG-CB 4Å; E58-L65 HydrophobicContact CG-CD1 3.79Å; E58-L65 HydrophobicContact CG-CG 3.54Å; E58-L65 PolarHBondContact OE1-N 3.01Å
59K96.2Very high96.4Very high185 Ų18571.8 Ų71.880%0.80440%0.395SS*.Hα-helixtrans-57.9-43.5176-172.1177.4-177.8179.10111.5I55 E56I55-K59 WeakPolarHBondContact O-CB 3.23Å; I55-K59 PolarHBondContact O-N 3.4Å; E56-K59 PolarHBondContact O-N 3.21Å
60L95Very high96.3Very high156 Ų15675.2 Ų75.282%0.81741%0.409SS*.Hα-helixtrans-70.8-30.1178.9-168.9137.7000113.1E56 E58E56-L60 WeakPolarHBondContact O-CB 3.13Å; E56-L60 PolarHBondContact O-N 2.89Å; E58-L60 VanDerWaalsContact C-N 3.31Å; E58-L60 PolarHBondContact O-N 3.2Å
61R94.3Very high96.1Very high140 Ų14078.3 Ų78.353%0.52842%0.419SS..Hα-helixtrans-86.2-17.3177.7-75.5-168.5123.5-138.2-0.5114.2A57 E58 R63A57-R61 WeakPolarHBondContact O-CB 3.25Å; A57-R61 WeakPolarHBondContact O-CG 3.34Å; A57-R61 PolarHBondContact O-N 3.5Å; A57-R61 VanDerWaalsContact O-N 3.1Å; E58-R61 PolarHBondContact O-N 3.01Å; E58-R61 VanDerWaalsContact O-N 3.16Å; R61-R63 HydrophobicContact CB-CG 4.32Å; R61-R63 PolarHBondContact O-N 2.94Å
62G95.4Very high96Very high73 Ų7381.7 Ų81.775%0.75343%0.429SS*.THydrogen-bonded Turntrans66.514.5-173.800000114.4E58E58-G62 PolarHBondContact O-N 2.52Å
63R94.3Very high95.9Very high151 Ų15182.3 Ų82.357%0.5743%0.432SS*.SBendtrans-152.5154.9177.662.6175.2171.6171.6-5.2111.9R61R61-R63 HydrophobicContact CB-CG 4.32Å; R61-R63 PolarHBondContact O-N 2.94Å
64P95.1Very high95.7Very high110 Ų11086 Ų8671%0.71445%0.446SS*.  trans-57.5146177.2-25.234.8000113.6E58E58-P64 WeakPolarHBondContact OE1-CA 3.14Å
65L95.9Very high95.4Very high13 Ų1393 Ų937%0.06847%0.472CS..  trans-82119.8177-75.9167.5000110.8Y54 A57 E58 K70 V73Y54-L65 HydrophobicContact CD1-CD1 4.09Å; Y54-L65 HydrophobicContact CG-CD1 4.42Å; A57-L65 HydrophobicContact CB-CD1 3.85Å; E58-L65 HydrophobicContact CG-CB 4Å; E58-L65 HydrophobicContact CG-CD1 3.79Å; E58-L65 HydrophobicContact CG-CG 3.54Å; E58-L65 PolarHBondContact OE1-N 3.01Å; L65-K70 HydrophobicContact CB-CG 3.85Å; L65-K70 HydrophobicContact CD1-CG 4.43Å; L65-K70 WeakPolarHBondContact O-CE 3.44Å; L65-V73 HydrophobicContact CD1-CG2 3.99Å
66G95.5Very high95.2Very high49 Ų4996.8 Ų96.851%0.50549%0.486SS..  trans-70.5177.3162.600000112.9V68 G69 K70G66-V68 VanDerWaalsContact C-N 3.33Å; G66-V68 PolarHBondContact O-N 3.04Å; G66-G69 WeakPolarHBondContact O-CA 3.29Å; G66-G69 PolarHBondContact O-N 3.16Å; G66-K70 PolarHBondContact O-N 2.84Å
67A94.3Very high95.1Very high84 Ų8496.3 Ų96.369%0.69448%0.483SS*.Hα-helixtrans-54.4-44.4-176.800000113.7G69 K70 Y71A67-G69 VanDerWaalsContact C-N 3.32Å; A67-G69 PolarHBondContact O-N 3.22Å; A67-K70 PolarHBondContact O-N 3.49Å; A67-Y71 PolarHBondContact O-N 2.78Å
68V93.5Very high94.9Very high96 Ų9699.2 Ų99.258%0.58250%0.5SS*.Hα-helixtrans-66.4-36.6177.8179.80000111.4G66 Y71 R72G66-V68 VanDerWaalsContact C-N 3.33Å; G66-V68 PolarHBondContact O-N 3.04Å; V68-Y71 PolarHBondContact O-N 3.2Å; V68-R72 WeakPolarHBondContact O-CG 3.25Å; V68-R72 PolarHBondContact O-N 3.09Å
69G95.8Very high94.7Very high13 Ų1398 Ų9813%0.13450%0.495CS..Hα-helixtrans-61.4-51.5175.200000111G66 A67 Y71 R72 V73G66-G69 WeakPolarHBondContact O-CA 3.29Å; G66-G69 PolarHBondContact O-N 3.16Å; A67-G69 VanDerWaalsContact C-N 3.32Å; A67-G69 PolarHBondContact O-N 3.22Å; G69-Y71 VanDerWaalsContact C-N 3.31Å; G69-Y71 PolarHBondContact O-N 3.3Å; G69-R72 PolarHBondContact O-N 3.08Å; G69-R72 VanDerWaalsContact O-N 3.15Å; G69-V73 WeakPolarHBondContact O-CG2 3.31Å; G69-V73 PolarHBondContact O-N 3.47Å
70K96.3Very high94.6Very high78 Ų7890.2 Ų90.234%0.33946%0.463SS..Hα-helixtrans-59.9-40176.4-64.6-175.2179.4178.10112.2Y54 L65 G66 A67 V73 R74Y54-K70 HydrophobicContact CD1-CB 4.27Å; Y54-K70 HydrophobicContact CD1-CG 4.04Å; Y54-K70 HydrophobicContact CD2-CD 4.32Å; Y54-K70 HydrophobicContact CD2-CG 4.46Å; Y54-K70 HydrophobicContact CE1-CB 3.68Å; Y54-K70 HydrophobicContact CE1-CG 3.9Å; Y54-K70 HydrophobicContact CE2-CD 4.12Å; Y54-K70 HydrophobicContact CE2-CG 4.34Å; Y54-K70 HydrophobicContact CG-CG 4.35Å; L65-K70 HydrophobicContact CB-CG 3.85Å; L65-K70 HydrophobicContact CD1-CG 4.43Å; L65-K70 WeakPolarHBondContact O-CE 3.44Å; G66-K70 PolarHBondContact O-N 2.84Å; A67-K70 PolarHBondContact O-N 3.49Å; K70-V73 PolarHBondContact O-N 2.71Å; K70-R74 WeakPolarHBondContact O-CG 3.4Å; K70-R74 PolarHBondContact O-N 3.39Å
71Y93.8Very high94.5Very high106 Ų10691.6 Ų91.642%0.41646%0.458SS..Hα-helixtrans-58.6-47.3173.7170.9-98.3000112.2A67 V68 G69 V73 R74 R75A67-Y71 PolarHBondContact O-N 2.78Å; V68-Y71 PolarHBondContact O-N 3.2Å; G69-Y71 VanDerWaalsContact C-N 3.31Å; G69-Y71 PolarHBondContact O-N 3.3Å; Y71-V73 VanDerWaalsContact C-N 3.3Å; Y71-V73 PolarHBondContact O-N 2.78Å; Y71-R74 PolarHBondContact O-N 3.25Å; Y71-R75 HydrophobicContact CE1-CG 4.14Å; Y71-R75 HydrophobicContact CE2-CG 4.05Å; Y71-R75 WeakPolarHBondContact O-CB 3.12Å; Y71-R75 PolarHBondContact O-N 2.93Å; Y71-R75 VanDerWaalsContact OH-CD 3.25Å; Y71-R75 WeakPolarHBondContact OH-CD 3.39Å
72R95.1Very high94.4Very high182 Ų18285.9 Ų85.969%0.68744%0.438SS*.Hα-helixtrans-60.8-39.3177.6-72.9174.1178.6-117.22.5111.9V68 G69 R75 K76V68-R72 WeakPolarHBondContact O-CG 3.25Å; V68-R72 PolarHBondContact O-N 3.09Å; G69-R72 PolarHBondContact O-N 3.08Å; G69-R72 VanDerWaalsContact O-N 3.15Å; R72-R75 PolarHBondContact O-N 3.09Å; R72-K76 WeakPolarHBondContact O-CB 3.38Å; R72-K76 PolarHBondContact O-N 3.23Å
73V95.9Very high94.3Very high13 Ų1382.4 Ų82.48%0.07940%0.402CS..Hα-helixtrans-63.6-50.8176.41750000110.9H53 Y54 A57 L65 G69 K70 Y71 R75 K76 F77H53-V73 HydrophobicContact CB-CG1 3.59Å; Y54-V73 HydrophobicContact CD1-CB 3.95Å; Y54-V73 HydrophobicContact CD1-CG1 3.73Å; Y54-V73 HydrophobicContact CD1-CG2 4.35Å; Y54-V73 HydrophobicContact CE1-CB 3.93Å; Y54-V73 HydrophobicContact CE1-CG1 3.9Å; A57-V73 HydrophobicContact CB-CG2 3.65Å; L65-V73 HydrophobicContact CD1-CG2 3.99Å; G69-V73 WeakPolarHBondContact O-CG2 3.31Å; G69-V73 PolarHBondContact O-N 3.47Å; K70-V73 PolarHBondContact O-N 2.71Å; Y71-V73 VanDerWaalsContact C-N 3.3Å; Y71-V73 PolarHBondContact O-N 2.78Å; V73-R75 PolarHBondContact O-N 2.91Å; V73-K76 PolarHBondContact O-N 3.06Å; V73-F77 HydrophobicContact CG1-CD2 4.07Å; V73-F77 PolarHBondContact O-N 3.05Å
74R94.3Very high94.1Very high87 Ų8777.6 Ų77.633%0.32839%0.385SS..Hα-helixtrans-56.7-36.6176.8-69.9-166.6-64-89.38.2113L50 Y54 K70 Y71 F77L50-R74 HydrophobicContact CD2-CG 3.67Å; Y54-R74 HydrophobicContact CE1-CG 4.29Å; Y54-R74 WeakPolarHBondContact OH-CD 3.16Å; Y54-R74 VanDerWaalsContact OH-CG 3.3Å; Y54-R74 WeakPolarHBondContact OH-CG 3.49Å; Y54-R74 PolarHBondContact OH-NH1 3.01Å; K70-R74 WeakPolarHBondContact O-CG 3.4Å; K70-R74 PolarHBondContact O-N 3.39Å; Y71-R74 PolarHBondContact O-N 3.25Å; R74-F77 CarbonylContact O-C 3.4Å
75R91.6Very high93.3Very high179 Ų17977 Ų7768%0.67538%0.375SS*.Hα-helixtrans-72.1-30.3177.1-91.6-134.949.9-176-10.3114Y71 R72 V73Y71-R75 HydrophobicContact CE1-CG 4.14Å; Y71-R75 HydrophobicContact CE2-CG 4.05Å; Y71-R75 WeakPolarHBondContact O-CB 3.12Å; Y71-R75 PolarHBondContact O-N 2.93Å; Y71-R75 VanDerWaalsContact OH-CD 3.25Å; Y71-R75 WeakPolarHBondContact OH-CD 3.39Å; R72-R75 PolarHBondContact O-N 3.09Å; V73-R75 PolarHBondContact O-N 2.91Å
76K95Very high92Very high153 Ų15377.3 Ų77.367%0.66538%0.381SS*.Hα-helixtrans-81.7-34.7177.8-174.8174.7177.9-176.80111.6R72 V73R72-K76 WeakPolarHBondContact O-CB 3.38Å; R72-K76 PolarHBondContact O-N 3.23Å; V73-K76 PolarHBondContact O-N 3.06Å
77F95.3Very high90.1Very high72 Ų7282.1 Ų82.132%0.31639%0.391SS..SBendtrans-126.177.6-177.2-52.8-72.6000109.6W49 H53 V73 R74W49-F77 PolarHBondContact NE1-O 3.36Å; H53-F77 HydrophobicContact CB-CD2 4.34Å; H53-F77 AromaticContact CE1-CD1 3.62Å; H53-F77 AromaticContact CE1-CG 3.56Å; H53-F77 AromaticContact CG-CD2 3.92Å; H53-F77 AromaticContact CG-CG 3.99Å; H53-F77 AromaticContact ND1-CD2 3.68Å; H53-F77 AromaticContact ND1-CG 3.7Å; H53-F77 WeakPolarHBondContact NE2-CB 3.49Å; H53-F77 AromaticContact NE2-CG 3.75Å; V73-F77 HydrophobicContact CG1-CD2 4.07Å; V73-F77 PolarHBondContact O-N 3.05Å; R74-F77 CarbonylContact O-C 3.4Å
78P92.9Very high88Confident84 Ų8484.9 Ų84.955%0.54539%0.389SS..PPolyproline II helixtrans-61.3159.7176.428.9-35.1000110.6W49W49-P78 PolarHBondContact NE1-O 3.26Å
79L93.8Very high85.9Confident35 Ų3585.7 Ų85.718%0.18339%0.394CS..PPolyproline II helixtrans-64.8134.1174.8-66.1169.7000109.7Q46 W49 L50 I83 W84Q46-L79 HydrophobicContact CB-CD1 4.19Å; Q46-L79 HydrophobicContact CB-CD2 3.82Å; Q46-L79 HydrophobicContact CG-CD1 3.69Å; Q46-L79 HydrophobicContact CG-CD2 3.82Å; Q46-L79 HydrophobicContact CG-CG 4.31Å; W49-L79 HydrophobicContact CB-CD2 4.28Å; W49-L79 HydrophobicContact CG-CD2 4.06Å; L50-L79 HydrophobicContact CG-CD2 4.32Å; L79-I83 HydrophobicContact CD2-CD1 4.46Å; L79-W84 HydrophobicContact CB-CB 3.71Å; L79-W84 HydrophobicContact CB-CD2 4.12Å; L79-W84 HydrophobicContact CB-CE3 4.21Å; L79-W84 HydrophobicContact CB-CG 3.95Å; L79-W84 HydrophobicContact CD1-CB 4.28Å; L79-W84 HydrophobicContact CD1-CG 4.06Å
80P94.4Very high83.5Confident20 Ų2087.9 Ų87.913%0.1341%0.408CS..PPolyproline II helixtrans-70.5148.5175.925.6-28.4000111.1E33 W49 T82 I83 W84E33-P80 HydrophobicContact CG-CB 3.97Å; E33-P80 HydrophobicContact CG-CG 4.07Å; W49-P80 HydrophobicContact CD2-CG 4.38Å; W49-P80 HydrophobicContact CE3-CG 4.01Å; W49-P80 HydrophobicContact CH2-CG 4.1Å; W49-P80 HydrophobicContact CZ2-CG 4.43Å; W49-P80 HydrophobicContact CZ3-CG 3.87Å; P80-T82 PolarHBondContact O-N 3.09Å; P80-I83 HydrophobicContact CG-CD1 4.04Å; P80-I83 HydrophobicContact CG-CG1 3.91Å; P80-I83 PolarHBondContact O-N 3.25Å; P80-W84 PolarHBondContact O-N 3.3Å
81R91.2Very high81.5Confident185 Ų18592.2 Ų92.270%0.69842%0.423SS*.THydrogen-bonded Turntrans-63.4-14.3-173.9-64.1-72.1-93.1-153.10.3114.1W84R81-W84 CarbonylContact C-O 3.42Å; R81-W84 VanDerWaalsContact CA-O 3.31Å; R81-W84 WeakPolarHBondContact CA-O 3.44Å
82T93.4Very high80Confident20 Ų2091.4 Ų91.412%0.12343%0.432CS..THydrogen-bonded Turntrans-72.1-25.2174.939.50000114.2L32 E33 N35 Q36 F37 P80L32-T82 VanDerWaalsContact O-CB 3.25Å; L32-T82 WeakPolarHBondContact O-CB 3.45Å; L32-T82 PolarHBondContact O-OG1 3.32Å; E33-T82 WeakPolarHBondContact O-CG2 3.47Å; N35-T82 WeakPolarHBondContact O-CB 3.44Å; N35-T82 VanDerWaalsContact O-CG2 3.23Å; N35-T82 WeakPolarHBondContact O-CG2 3.32Å; Q36-T82 HydrophobicContact CG-CG2 4.43Å; F37-T82 PolarHBondContact N-O 3.37Å; P80-T82 PolarHBondContact O-N 3.09Å
83I93.5Very high78.9Confident0 Ų084.6 Ų84.60%041%0.408CS..SBendtrans-126.115.6178.166.1176.2000111.9L32 F37 H42 L45 Q46 W49 L79 P80L32-I83 HydrophobicContact CB-CD1 4.42Å; L32-I83 HydrophobicContact CD1-CD1 4.17Å; L32-I83 HydrophobicContact CD2-CG2 4.27Å; F37-I83 HydrophobicContact CB-CG2 4.38Å; F37-I83 HydrophobicContact CD2-CG2 3.51Å; F37-I83 HydrophobicContact CE2-CG2 4.12Å; F37-I83 HydrophobicContact CG-CG2 4.18Å; H42-I83 WeakPolarHBondContact CB-O 3.34Å; H42-I83 PolarHBondContact ND1-O 3.08Å; L45-I83 HydrophobicContact CB-CB 4.26Å; L45-I83 HydrophobicContact CB-CD1 4.21Å; L45-I83 HydrophobicContact CB-CG2 3.92Å; L45-I83 HydrophobicContact CD1-CG2 3.78Å; Q46-I83 HydrophobicContact CG-CD1 4.31Å; Q46-I83 HydrophobicContact CG-CG1 4.3Å; Q46-I83 VanDerWaalsContact CG-O 3.29Å; Q46-I83 WeakPolarHBondContact CG-O 3.28Å; Q46-I83 PolarHBondContact NE2-O 2.95Å; W49-I83 HydrophobicContact CB-CD1 4.25Å; L79-I83 HydrophobicContact CD2-CD1 4.46Å; P80-I83 HydrophobicContact CG-CD1 4.04Å; P80-I83 HydrophobicContact CG-CG1 3.91Å; P80-I83 PolarHBondContact O-N 3.25Å
84W89.3Confident78Confident51 Ų5192.4 Ų92.419%0.19344%0.441CS..  trans-153.7121.7-179.2-177.848.4000109.6L79 P80 R81 G86 E87L79-W84 HydrophobicContact CB-CB 3.71Å; L79-W84 HydrophobicContact CB-CD2 4.12Å; L79-W84 HydrophobicContact CB-CE3 4.21Å; L79-W84 HydrophobicContact CB-CG 3.95Å; L79-W84 HydrophobicContact CD1-CB 4.28Å; L79-W84 HydrophobicContact CD1-CG 4.06Å; P80-W84 PolarHBondContact O-N 3.3Å; R81-W84 CarbonylContact C-O 3.42Å; R81-W84 VanDerWaalsContact CA-O 3.31Å; R81-W84 WeakPolarHBondContact CA-O 3.44Å; W84-G86 PolarHBondContact O-N 3.4Å; W84-G86 VanDerWaalsContact O-N 3.08Å; W84-E87 WeakPolarHBondContact CZ2-O 3.25Å; W84-E87 PolarHBondContact NE1-O 3Å
85D78.8Confident77.4Confident97 Ų9793.5 Ų93.552%0.51945%0.449SS..  trans-60.9-13.4176.954.911000114E87D85-E87 VanDerWaalsContact C-N 3.33Å; D85-E87 PolarHBondContact OD1-N 3.26Å
86G68.2Low77.2Confident19 Ų1992.9 Ų92.920%0.19645%0.451CS..  trans84.88.6-179.300000114W84 E88W84-G86 PolarHBondContact O-N 3.4Å; W84-G86 VanDerWaalsContact O-N 3.08Å; G86-E88 VanDerWaalsContact C-N 3.3Å; G86-E88 PolarHBondContact O-N 3.49Å
87E56.1Low77.1Confident151 Ų15186.1 Ų86.171%0.70642%0.424SS*.  trans-63.999.8165.6-79.2-152.3161.900108W84 D85 T89W84-E87 WeakPolarHBondContact CZ2-O 3.25Å; W84-E87 PolarHBondContact NE1-O 3Å; D85-E87 VanDerWaalsContact C-N 3.33Å; D85-E87 PolarHBondContact OD1-N 3.26Å; E87-T89 PolarHBondContact O-N 3.12Å; E87-T89 VanDerWaalsContact O-N 3.12Å
88E50.8Low76.8Confident142 Ų14286 Ų8666%0.66442%0.421SS*.  trans-49.5121.7175.2-141-175.4-145.700107.8G86 S90G86-E88 VanDerWaalsContact C-N 3.3Å; G86-E88 PolarHBondContact O-N 3.49Å; E88-S90 PolarHBondContact O-N 3.22Å; E88-S90 WeakPolarHBondContact OE2-CB 3.21Å; E88-S90 PolarHBondContact OE2-OG 3.5Å
89T47.9Very low76.8Confident112 Ų11283.5 Ų83.569%0.68741%0.411SS*.  trans-66.872.7155.453.80000106E87 Y91E87-T89 PolarHBondContact O-N 3.12Å; E87-T89 VanDerWaalsContact O-N 3.12Å; T89-Y91 VanDerWaalsContact C-N 3.33Å; T89-Y91 WeakPolarHBondContact O-CD2 3.4Å; T89-Y91 PolarHBondContact O-N 2.92Å
90S45.3Very low76.8Confident60 Ų6084.3 Ų84.342%0.4241%0.414SS..  trans-69.599.6-176.2-153.10000105.6E88 C92E88-S90 PolarHBondContact O-N 3.22Å; E88-S90 WeakPolarHBondContact OE2-CB 3.21Å; E88-S90 PolarHBondContact OE2-OG 3.5Å; S90-C92 PolarHBondContact O-N 3.1Å; S90-C92 VanDerWaalsContact O-N 3.1Å
91Y55.4Low76.9Confident169 Ų16983.3 Ų83.366%0.66341%0.408SS*.  trans-63.2-6.4167.2-77.1-84.1000111.3T89T89-Y91 VanDerWaalsContact C-N 3.33Å; T89-Y91 WeakPolarHBondContact O-CD2 3.4Å; T89-Y91 PolarHBondContact O-N 2.92Å
92C61.2Low77.1Confident89 Ų8980 Ų8060%0.60140%0.395SS*.SBendtrans-83.7119.8173.8-67.20000109.4S90S90-C92 PolarHBondContact O-N 3.1Å; S90-C92 VanDerWaalsContact O-N 3.1Å
93F72.2Confident77.2Confident39 Ų3983.9 Ų83.917%0.17142%0.416CS..PPolyproline II helixtrans-55.7151169.1-49.2-40.4000110.4R98 L101 L125 Q129 W133F93-R98 HydrophobicContact CB-CG 4.04Å; F93-R98 PolarHBondContact O-NE 3.26Å; F93-L101 HydrophobicContact CD2-CD1 3.83Å; F93-L101 HydrophobicContact CE2-CD1 4.07Å; F93-L125 HydrophobicContact CB-CD1 4.39Å; F93-L125 HydrophobicContact CB-CD2 4.34Å; F93-L125 HydrophobicContact CD1-CD1 3.97Å; F93-L125 HydrophobicContact CD1-CD2 3.4Å; F93-L125 VanDerWaalsContact CD1-CD2 3.4Å; F93-L125 HydrophobicContact CD1-CG 4.35Å; F93-L125 HydrophobicContact CD2-CD1 3.49Å; F93-L125 VanDerWaalsContact CD2-CD1 3.49Å; F93-L125 HydrophobicContact CD2-CD2 4.45Å; F93-L125 HydrophobicContact CE1-CD1 4.06Å; F93-L125 HydrophobicContact CE1-CD2 3.71Å; F93-L125 HydrophobicContact CE2-CD1 3.57Å; F93-L125 HydrophobicContact CG-CD1 3.7Å; F93-L125 HydrophobicContact CG-CD2 3.83Å; F93-L125 HydrophobicContact CG-CG 4.43Å; F93-L125 HydrophobicContact CZ-CD1 3.88Å; F93-L125 HydrophobicContact CZ-CD2 4.35Å; F93-Q129 HydrophobicContact CE1-CB 4.1Å; F93-Q129 HydrophobicContact CE1-CG 4.08Å; F93-Q129 HydrophobicContact CZ-CB 3.76Å; F93-Q129 HydrophobicContact CZ-CG 4.15Å; F93-W133 AromaticContact CD2-CD1 3.85Å; F93-W133 HydrophobicContact CE2-CB 4Å; F93-W133 AromaticContact CE2-CD1 3.54Å; F93-W133 HydrophobicContact CE2-CG 4.05Å
94K78Confident77.3Confident177 Ų17786.4 Ų86.477%0.7743%0.425SS*.PPolyproline II helixtrans-50.5148.1174.2-66-175.1178.5-1780110.5K96 S97 R98K94-K96 PolarHBondContact O-N 2.89Å; K94-S97 WeakPolarHBondContact O-CB 3.3Å; K94-S97 PolarHBondContact O-N 3.5Å; K94-R98 PolarHBondContact O-N 3.1Å
95E82.4Confident77.6Confident109 Ų10985.5 Ų85.551%0.50942%0.422SS..Hα-helixtrans-51.4-43.1-178.8-174.466.4-123.700111.9S97 R98 G99 R102E95-S97 PolarHBondContact O-N 2.81Å; E95-R98 CarbonylContact O-C 3.56Å; E95-R98 PolarHBondContact O-N 3.24Å; E95-R98 VanDerWaalsContact O-N 3.15Å; E95-R98 IonicContact OE1-CZ 2.73Å; E95-R98 IonicContact OE1-NH1 2.62Å; E95-R98 PolarHBondContact OE1-NH1 3.06Å; E95-R98 IonicContact OE2-CZ 3.95Å; E95-R98 IonicContact OE2-NH1 3.76Å; E95-R98 PolarHBondContact OE2-NH1 3.08Å; E95-R98 IonicContact OE2-NH2 3.61Å; E95-R98 PolarHBondContact OE2-NH2 3.23Å; E95-G99 PolarHBondContact O-N 3.37Å; E95-R102 IonicContact OE1-CZ 3.93Å; E95-R102 IonicContact OE1-NH2 3.21Å; E95-R102 PolarHBondContact OE1-NH2 3.27Å
96K87.4Confident78.4Confident166 Ų16685.1 Ų85.172%0.72243%0.427SS*.Hα-helixtrans-54.5-52.8175.3-174.6178.2179.2-179.30112.4K94 R98 G99 I100K94-K96 PolarHBondContact O-N 2.89Å; K96-R98 VanDerWaalsContact C-N 3.29Å; K96-R98 PolarHBondContact O-N 3Å; K96-G99 PolarHBondContact O-N 3.34Å; K96-G99 VanDerWaalsContact O-N 3.12Å; K96-I100 HydrophobicContact CG-CD1 4.49Å; K96-I100 WeakPolarHBondContact O-CG1 3.39Å; K96-I100 PolarHBondContact O-N 3.29Å; K96-I100 VanDerWaalsContact O-N 3.12Å
97S90.9Very high79.7Confident12 Ų1291.3 Ų91.38%0.08445%0.45CS..Hα-helixtrans-60.7-38.7178.2-50.90000111.4K94 E95 L101 T123K94-S97 WeakPolarHBondContact O-CB 3.3Å; K94-S97 PolarHBondContact O-N 3.5Å; E95-S97 PolarHBondContact O-N 2.81Å; S97-L101 VanDerWaalsContact O-CG 3.28Å; S97-L101 WeakPolarHBondContact O-CG 3.39Å; S97-L101 PolarHBondContact O-N 2.86Å; S97-L101 VanDerWaalsContact O-N 3.1Å; S97-T123 PolarHBondContact OG-O 2.7Å
98R89.4Confident81.5Confident70 Ų7086.5 Ų86.526%0.26443%0.43SS..Hα-helixtrans-69.1-31.9175.3-70.1-172.8-78.6104.7-5.7113.4F93 K94 E95 K96 R102F93-R98 HydrophobicContact CB-CG 4.04Å; F93-R98 PolarHBondContact O-NE 3.26Å; K94-R98 PolarHBondContact O-N 3.1Å; E95-R98 CarbonylContact O-C 3.56Å; E95-R98 PolarHBondContact O-N 3.24Å; E95-R98 VanDerWaalsContact O-N 3.15Å; E95-R98 IonicContact OE1-CZ 2.73Å; E95-R98 IonicContact OE1-NH1 2.62Å; E95-R98 PolarHBondContact OE1-NH1 3.06Å; E95-R98 IonicContact OE2-CZ 3.95Å; E95-R98 IonicContact OE2-NH1 3.76Å; E95-R98 PolarHBondContact OE2-NH1 3.08Å; E95-R98 IonicContact OE2-NH2 3.61Å; E95-R98 PolarHBondContact OE2-NH2 3.23Å; K96-R98 VanDerWaalsContact C-N 3.29Å; K96-R98 PolarHBondContact O-N 3Å; R98-R102 WeakPolarHBondContact O-CB 3.36Å; R98-R102 WeakPolarHBondContact O-CG 3.45Å; R98-R102 PolarHBondContact O-N 2.88Å; R98-R102 VanDerWaalsContact O-N 3.08Å; R98-R102 PolarHBondContact O-NE 2.96Å
99G92.6Very high83.7Confident31 Ų3181.8 Ų81.832%0.3241%0.411SS..Hα-helixtrans-61.6-54173.400000110.6E95 K96 L101 R102 D103E95-G99 PolarHBondContact O-N 3.37Å; K96-G99 PolarHBondContact O-N 3.34Å; K96-G99 VanDerWaalsContact O-N 3.12Å; G99-L101 VanDerWaalsContact C-N 3.35Å; G99-L101 PolarHBondContact O-N 3.12Å; G99-R102 PolarHBondContact O-N 3.08Å; G99-R102 VanDerWaalsContact O-N 3.15Å; G99-D103 PolarHBondContact O-N 3.44Å
100I94.8Very high86Confident51 Ų5183.9 Ų83.926%0.26241%0.408SS..Hα-helixtrans-56.3-48178.4-62.1167.2000111.1K96 R102 D103 W104 L119 A122 T123K96-I100 HydrophobicContact CG-CD1 4.49Å; K96-I100 WeakPolarHBondContact O-CG1 3.39Å; K96-I100 PolarHBondContact O-N 3.29Å; K96-I100 VanDerWaalsContact O-N 3.12Å; I100-R102 VanDerWaalsContact C-N 3.35Å; I100-R102 PolarHBondContact O-N 2.97Å; I100-D103 PolarHBondContact O-N 2.99Å; I100-W104 WeakPolarHBondContact O-CB 3.37Å; I100-W104 PolarHBondContact O-N 2.98Å; I100-L119 HydrophobicContact CG2-CD2 4.03Å; I100-A122 WeakPolarHBondContact CD1-O 3.33Å; I100-A122 HydrophobicContact CG2-CB 4.45Å; I100-T123 HydrophobicContact CB-CG2 3.9Å; I100-T123 HydrophobicContact CD1-CG2 4.21Å; I100-T123 HydrophobicContact CG2-CG2 3.79Å
101L95.7Very high88.5Confident0 Ų081.5 Ų81.50%039%0.391CS..Hα-helixtrans-64.2-37.3-179.8-69.1169.1000112.8F93 S97 G99 Y105 L119 T123 L125 V130 W133 F134F93-L101 HydrophobicContact CD2-CD1 3.83Å; F93-L101 HydrophobicContact CE2-CD1 4.07Å; S97-L101 VanDerWaalsContact O-CG 3.28Å; S97-L101 WeakPolarHBondContact O-CG 3.39Å; S97-L101 PolarHBondContact O-N 2.86Å; S97-L101 VanDerWaalsContact O-N 3.1Å; G99-L101 VanDerWaalsContact C-N 3.35Å; G99-L101 PolarHBondContact O-N 3.12Å; L101-Y105 WeakPolarHBondContact O-CB 3.45Å; L101-Y105 PolarHBondContact O-N 3.18Å; L101-L119 HydrophobicContact CD2-CD2 4.44Å; L101-T123 HydrophobicContact CD2-CG2 4.23Å; L101-T123 HydrophobicContact CG-CG2 4Å; L101-L125 HydrophobicContact CD1-CD1 3.86Å; L101-V130 HydrophobicContact CD2-CG1 4.1Å; L101-V130 HydrophobicContact CD2-CG2 4.42Å; L101-W133 HydrophobicContact CB-CD2 3.95Å; L101-W133 HydrophobicContact CB-CE3 3.94Å; L101-W133 HydrophobicContact CB-CH2 3.82Å; L101-W133 HydrophobicContact CB-CZ2 3.79Å; L101-W133 HydrophobicContact CB-CZ3 3.89Å; L101-W133 HydrophobicContact CD1-CB 4.38Å; L101-W133 HydrophobicContact CD1-CD2 3.87Å; L101-W133 HydrophobicContact CD1-CE3 4.44Å; L101-W133 HydrophobicContact CD1-CG 3.8Å; L101-W133 HydrophobicContact CD2-CE3 4.37Å; L101-W133 HydrophobicContact CG-CD2 4.36Å; L101-W133 HydrophobicContact CG-CE3 4.49Å; L101-W133 WeakPolarHBondContact O-CH2 3.45Å; L101-W133 WeakPolarHBondContact O-CZ3 3.28Å; L101-F134 HydrophobicContact CD2-CD2 4.48Å; L101-F134 HydrophobicContact CD2-CE2 3.72Å
102R95.1Very high90.5Very high114 Ų11475.6 Ų75.643%0.4337%0.374SS..Hα-helixtrans-69.3-45.6177.8-83.7179.8-76.4178.9-3.8112.1E95 R98 G99 I100 W104 Y105 S106 W133E95-R102 IonicContact OE1-CZ 3.93Å; E95-R102 IonicContact OE1-NH2 3.21Å; E95-R102 PolarHBondContact OE1-NH2 3.27Å; R98-R102 WeakPolarHBondContact O-CB 3.36Å; R98-R102 WeakPolarHBondContact O-CG 3.45Å; R98-R102 PolarHBondContact O-N 2.88Å; R98-R102 VanDerWaalsContact O-N 3.08Å; R98-R102 PolarHBondContact O-NE 2.96Å; G99-R102 PolarHBondContact O-N 3.08Å; G99-R102 VanDerWaalsContact O-N 3.15Å; I100-R102 VanDerWaalsContact C-N 3.35Å; I100-R102 PolarHBondContact O-N 2.97Å; R102-W104 VanDerWaalsContact C-N 3.34Å; R102-Y105 PolarHBondContact O-N 3.35Å; R102-S106 PolarHBondContact O-N 3.46Å; R102-S106 VanDerWaalsContact O-N 3.07Å; R102-W133 HydrophobicContact CG-CH2 4.23Å; R102-W133 HydrophobicContact CG-CZ2 4.06Å
103D95.9Very high92.2Very high103 Ų10376 Ų7655%0.55138%0.376SS*.Hα-helixtrans-61.8-44.6178-176.252.3000110.8G99 I100 Y105 S106 H107G99-D103 PolarHBondContact O-N 3.44Å; I100-D103 PolarHBondContact O-N 2.99Å; D103-Y105 VanDerWaalsContact C-N 3.34Å; D103-Y105 PolarHBondContact O-N 2.72Å; D103-S106 PolarHBondContact O-N 3.43Å; D103-S106 PolarHBondContact O-OG 3.04Å; D103-H107 PolarHBondContact O-ND1 2.87Å; D103-H107 IonicContact OD1-CE1 3.83Å; D103-H107 IonicContact OD1-ND1 2.62Å
104W95.8Very high93.4Very high53 Ų5382.1 Ų82.120%0.20140%0.398CS..Hα-helixtrans-62.9-42.6175.3-155.693.3000112.1I100 R102 S106 H107 N108 P111 E115 L119 F134I100-W104 WeakPolarHBondContact O-CB 3.37Å; I100-W104 PolarHBondContact O-N 2.98Å; R102-W104 VanDerWaalsContact C-N 3.34Å; W104-S106 VanDerWaalsContact C-N 3.32Å; W104-S106 PolarHBondContact O-N 3.04Å; W104-H107 PolarHBondContact O-N 3.32Å; W104-H107 VanDerWaalsContact O-N 3.11Å; W104-N108 HydrophobicContact CE3-CB 4.17Å; W104-N108 HydrophobicContact CH2-CB 3.54Å; W104-N108 VanDerWaalsContact CH2-CG 3.46Å; W104-N108 WeakPolarHBondContact CH2-ND2 3.3Å; W104-N108 HydrophobicContact CZ2-CB 4.21Å; W104-N108 HydrophobicContact CZ3-CB 3.55Å; W104-N108 WeakPolarHBondContact CZ3-O 3.44Å; W104-N108 PolarHBondContact O-N 2.85Å; W104-P111 HydrophobicContact CE3-CB 4.29Å; W104-P111 HydrophobicContact CE3-CG 4.42Å; W104-P111 HydrophobicContact CH2-CB 3.3Å; W104-P111 HydrophobicContact CH2-CG 4.16Å; W104-P111 HydrophobicContact CZ2-CB 4.07Å; W104-P111 HydrophobicContact CZ3-CB 3.39Å; W104-P111 HydrophobicContact CZ3-CG 3.71Å; W104-E115 HydrophobicContact CH2-CB 4.23Å; W104-E115 HydrophobicContact CH2-CG 4.5Å; W104-E115 HydrophobicContact CZ2-CB 3.75Å; W104-E115 HydrophobicContact CZ2-CG 3.87Å; W104-E115 WeakPolarHBondContact CZ2-OE1 3.15Å; W104-L119 HydrophobicContact CB-CD2 3.91Å; W104-L119 HydrophobicContact CD2-CD1 3.82Å; W104-L119 HydrophobicContact CD2-CD2 4.42Å; W104-L119 HydrophobicContact CE3-CD1 4.13Å; W104-L119 HydrophobicContact CG-CD1 4.03Å; W104-L119 HydrophobicContact CG-CD2 3.75Å; W104-L119 HydrophobicContact CG-CG 4.3Å; W104-F134 HydrophobicContact CB-CZ 4.45Å; W104-F134 HydrophobicContact CD2-CZ 4.15Å; W104-F134 AromaticContact CE3-CE1 3.44Å; W104-F134 HydrophobicContact CE3-CE1 3.44Å; W104-F134 VanDerWaalsContact CE3-CE1 3.44Å; W104-F134 AromaticContact CE3-CZ 3.36Å; W104-F134 HydrophobicContact CE3-CZ 3.36Å; W104-F134 AromaticContact CZ3-CE1 3.78Å; W104-F134 HydrophobicContact CZ3-CE1 3.78Å; W104-F134 HydrophobicContact CZ3-CZ 4.02Å
105Y96.6Very high94.3Very high32 Ų3276.3 Ų76.313%0.12537%0.373CS..Hα-helixtrans-62.3-34.7-179.4-172.6-89.9000113.7L101 R102 D103 H107 N108 P109 W133 F134 R137 R138 D141L101-Y105 WeakPolarHBondContact O-CB 3.45Å; L101-Y105 PolarHBondContact O-N 3.18Å; R102-Y105 PolarHBondContact O-N 3.35Å; D103-Y105 VanDerWaalsContact C-N 3.34Å; D103-Y105 PolarHBondContact O-N 2.72Å; Y105-H107 PolarHBondContact O-N 3.08Å; Y105-N108 CarbonylContact O-C 3.5Å; Y105-P109 HydrophobicContact CD2-CB 4.04Å; Y105-P109 HydrophobicContact CE1-CB 4.32Å; Y105-P109 HydrophobicContact CE2-CB 3.6Å; Y105-W133 HydrophobicContact CD2-CH2 4.46Å; Y105-W133 AromaticContact CD2-CZ3 3.86Å; Y105-W133 HydrophobicContact CD2-CZ3 3.86Å; Y105-W133 HydrophobicContact CG-CH2 4.3Å; Y105-W133 HydrophobicContact CG-CZ3 4.1Å; Y105-F134 AromaticContact CD2-CD1 3.59Å; Y105-F134 HydrophobicContact CD2-CD1 3.59Å; Y105-F134 AromaticContact CD2-CE1 3.67Å; Y105-F134 HydrophobicContact CD2-CE1 3.67Å; Y105-F134 HydrophobicContact CE2-CD1 4.18Å; Y105-F134 HydrophobicContact CG-CE1 4.39Å; Y105-R137 HydrophobicContact CD1-CG 4.03Å; Y105-R137 HydrophobicContact CD2-CB 4.31Å; Y105-R137 HydrophobicContact CD2-CG 3.94Å; Y105-R137 HydrophobicContact CE1-CG 3.67Å; Y105-R137 HydrophobicContact CE2-CB 3.86Å; Y105-R137 HydrophobicContact CE2-CG 3.6Å; Y105-R137 HydrophobicContact CG-CG 4.15Å; Y105-R137 VanDerWaalsContact CZ-CG 3.44Å; Y105-R138 HydrophobicContact CE2-CG 3.82Å; Y105-R138 WeakPolarHBondContact OH-CA 3.33Å; Y105-R138 VanDerWaalsContact OH-CG 3.25Å; Y105-R138 WeakPolarHBondContact OH-CG 3.21Å; Y105-R138 PolarHBondContact OH-N 2.97Å; Y105-D141 WeakPolarHBondContact CE1-OD2 3.44Å; Y105-D141 VanDerWaalsContact CZ-OD2 3.25Å; Y105-D141 PolarHBondContact OH-OD2 3.4Å
106S95Very high95Very high89 Ų8973.6 Ų73.662%0.62236%0.36SS*.Hα-helixtrans-67.9-26.7176.454.80000112.8R102 D103 W104R102-S106 PolarHBondContact O-N 3.46Å; R102-S106 VanDerWaalsContact O-N 3.07Å; D103-S106 PolarHBondContact O-N 3.43Å; D103-S106 PolarHBondContact O-OG 3.04Å; W104-S106 VanDerWaalsContact C-N 3.32Å; W104-S106 PolarHBondContact O-N 3.04Å
107H95Very high95.5Very high148 Ų14872.3 Ų72.369%0.68535%0.351SS*.Hα-helixtrans-84.7-45.8175.1-65.189.4000111.9D103 W104 Y105D103-H107 PolarHBondContact O-ND1 2.87Å; D103-H107 IonicContact OD1-CE1 3.83Å; D103-H107 IonicContact OD1-ND1 2.62Å; W104-H107 PolarHBondContact O-N 3.32Å; W104-H107 VanDerWaalsContact O-N 3.11Å; Y105-H107 PolarHBondContact O-N 3.08Å
108N94.2Very high95.8Very high51 Ų5175.8 Ų75.827%0.27337%0.365SS..  trans-144.8117.1-179.7-177.80.2000110.3W104 Y105 Y110W104-N108 HydrophobicContact CE3-CB 4.17Å; W104-N108 HydrophobicContact CH2-CB 3.54Å; W104-N108 VanDerWaalsContact CH2-CG 3.46Å; W104-N108 WeakPolarHBondContact CH2-ND2 3.3Å; W104-N108 HydrophobicContact CZ2-CB 4.21Å; W104-N108 HydrophobicContact CZ3-CB 3.55Å; W104-N108 WeakPolarHBondContact CZ3-O 3.44Å; W104-N108 PolarHBondContact O-N 2.85Å; Y105-N108 CarbonylContact O-C 3.5Å; N108-Y110 VanDerWaalsContact C-N 3.32Å; N108-Y110 PolarHBondContact O-N 3.04Å; N108-Y110 PolarHBondContact OD1-N 2.89Å; N108-Y110 PolarHBondContact OD1-O 3.38Å
109P96.3Very high96.2Very high43 Ų4372.7 Ų72.728%0.27935%0.354SS..SBendtrans-83.4-2.9176.626.6-27.9000114Y105 F134 R138Y105-P109 HydrophobicContact CD2-CB 4.04Å; Y105-P109 HydrophobicContact CE1-CB 4.32Å; Y105-P109 HydrophobicContact CE2-CB 3.6Å; P109-F134 WeakPolarHBondContact O-CD1 3.38Å; P109-R138 HydrophobicContact CB-CG 4.48Å; P109-R138 PolarHBondContact O-NH1 3.1Å
110Y97.8Very high96.3Very high155 Ų15571.7 Ų71.761%0.60834%0.343SS*.SBendtrans-129.875.9-175.2-61.8-84.7000112.6N108 R138N108-Y110 VanDerWaalsContact C-N 3.32Å; N108-Y110 PolarHBondContact O-N 3.04Å; N108-Y110 PolarHBondContact OD1-N 2.89Å; N108-Y110 PolarHBondContact OD1-O 3.38Å; Y110-R138 VanDerWaalsContact CE1-NE 3.26Å; Y110-R138 WeakPolarHBondContact OH-CD 3.31Å
111P96.5Very high96.4Very high10 Ų1076.8 Ų76.87%0.06537%0.366CS..  trans-66.7136.7177.123-26.4000112.4W104 E115 K116 L119 F134W104-P111 HydrophobicContact CE3-CB 4.29Å; W104-P111 HydrophobicContact CE3-CG 4.42Å; W104-P111 HydrophobicContact CH2-CB 3.3Å; W104-P111 HydrophobicContact CH2-CG 4.16Å; W104-P111 HydrophobicContact CZ2-CB 4.07Å; W104-P111 HydrophobicContact CZ3-CB 3.39Å; W104-P111 HydrophobicContact CZ3-CG 3.71Å; P111-E115 HydrophobicContact CB-CB 3.89Å; P111-K116 HydrophobicContact CB-CG 3.84Å; P111-K116 HydrophobicContact CG-CG 3.84Å; P111-K116 VanDerWaalsContact O-CE 3.22Å; P111-K116 WeakPolarHBondContact O-CE 3.36Å; P111-L119 HydrophobicContact CB-CD1 4.35Å; P111-F134 VanDerWaalsContact CD-CD1 3.46Å; P111-F134 HydrophobicContact CG-CD1 3.78Å; P111-F134 HydrophobicContact CG-CD2 3.99Å; P111-F134 HydrophobicContact CG-CE1 3.86Å; P111-F134 HydrophobicContact CG-CE2 4.08Å; P111-F134 HydrophobicContact CG-CG 3.86Å; P111-F134 HydrophobicContact CG-CZ 4.02Å
112S97.5Very high96.4Very high46 Ų4679.8 Ų79.832%0.32239%0.39SS..  trans-63.4164.216770.30000111.6R114 E115 K116S112-R114 PolarHBondContact O-N 3.1Å; S112-R114 VanDerWaalsContact O-N 3.15Å; S112-E115 WeakPolarHBondContact CA-OE2 3.41Å; S112-E115 WeakPolarHBondContact CB-OE2 3.38Å; S112-E115 PolarHBondContact N-OE2 3Å; S112-E115 PolarHBondContact O-N 2.68Å; S112-E115 WeakPolarHBondContact OG-CG 3.24Å; S112-E115 PolarHBondContact OG-N 2.73Å; S112-E115 PolarHBondContact OG-OE2 3.16Å; S112-K116 WeakPolarHBondContact O-CG 3.25Å; S112-K116 PolarHBondContact O-N 2.58Å
113P97.1Very high96.3Very high98 Ų9874.8 Ų74.864%0.63637%0.372SS*.Hα-helixtrans-57.8-26.5176.6-26.435.8000114.6R117P113-R117 PolarHBondContact O-NE 3.43Å; P113-R117 VanDerWaalsContact O-NE 3.17Å
114R97.4Very high96.1Very high166 Ų16673.3 Ų73.363%0.62638%0.381SS*.Hα-helixtrans-75.7-50.8175.7177.9-178.5164177.1-1.5110.8S112 K116 R117 E118S112-R114 PolarHBondContact O-N 3.1Å; S112-R114 VanDerWaalsContact O-N 3.15Å; R114-K116 PolarHBondContact O-N 3.16Å; R114-R117 WeakPolarHBondContact O-CA 3.45Å; R114-R117 WeakPolarHBondContact O-CB 3.22Å; R114-R117 PolarHBondContact O-N 3.45Å; R114-E118 IonicContact CZ-OE1 3.57Å; R114-E118 IonicContact NE-OE1 3.06Å; R114-E118 PolarHBondContact NE-OE1 2.94Å; R114-E118 IonicContact NH2-OE1 3.98Å; R114-E118 PolarHBondContact NH2-OE1 3.15Å; R114-E118 PolarHBondContact O-N 3.42Å; R114-E118 VanDerWaalsContact O-N 3.09Å
115E97.2Very high95.9Very high55 Ų5571.9 Ų71.926%0.25738%0.377SS..Hα-helixtrans-61.3-34.4178.8-67.9159.6130.500111.6W104 P111 S112 R117 E118 L119W104-E115 HydrophobicContact CH2-CB 4.23Å; W104-E115 HydrophobicContact CH2-CG 4.5Å; W104-E115 HydrophobicContact CZ2-CB 3.75Å; W104-E115 HydrophobicContact CZ2-CG 3.87Å; W104-E115 WeakPolarHBondContact CZ2-OE1 3.15Å; P111-E115 HydrophobicContact CB-CB 3.89Å; S112-E115 WeakPolarHBondContact CA-OE2 3.41Å; S112-E115 WeakPolarHBondContact CB-OE2 3.38Å; S112-E115 PolarHBondContact N-OE2 3Å; S112-E115 PolarHBondContact O-N 2.68Å; S112-E115 WeakPolarHBondContact OG-CG 3.24Å; S112-E115 PolarHBondContact OG-N 2.73Å; S112-E115 PolarHBondContact OG-OE2 3.16Å; E115-R117 VanDerWaalsContact C-N 3.27Å; E115-R117 PolarHBondContact O-N 2.89Å; E115-E118 PolarHBondContact O-N 2.89Å; E115-L119 WeakPolarHBondContact O-CB 3.5Å; E115-L119 WeakPolarHBondContact O-CG 3.47Å; E115-L119 PolarHBondContact O-N 3Å
116K97.5Very high95.7Very high52 Ų5274 Ų7423%0.22639%0.394CS..Hα-helixtrans-62.1-32.6172.6-71.9-178.9-172.6177.20113.3P111 S112 R114 A120 V130 S131P111-K116 HydrophobicContact CB-CG 3.84Å; P111-K116 HydrophobicContact CG-CG 3.84Å; P111-K116 VanDerWaalsContact O-CE 3.22Å; P111-K116 WeakPolarHBondContact O-CE 3.36Å; S112-K116 WeakPolarHBondContact O-CG 3.25Å; S112-K116 PolarHBondContact O-N 2.58Å; R114-K116 PolarHBondContact O-N 3.16Å; K116-A120 VanDerWaalsContact O-CB 3.28Å; K116-A120 WeakPolarHBondContact O-CB 3.41Å; K116-A120 PolarHBondContact O-N 2.87Å; K116-V130 HydrophobicContact CG-CG1 4.46Å; K116-S131 PolarHBondContact NZ-OG 3.32Å
117R97.6Very high95.7Very high140 Ų14072.9 Ų72.953%0.52838%0.383SS..Hα-helixtrans-72.5-45.3175.3-81.2178-87.9140.1-14.2110.8P113 R114 E115 L119 A120 E121 T127P113-R117 PolarHBondContact O-NE 3.43Å; P113-R117 VanDerWaalsContact O-NE 3.17Å; R114-R117 WeakPolarHBondContact O-CA 3.45Å; R114-R117 WeakPolarHBondContact O-CB 3.22Å; R114-R117 PolarHBondContact O-N 3.45Å; E115-R117 VanDerWaalsContact C-N 3.27Å; E115-R117 PolarHBondContact O-N 2.89Å; R117-L119 VanDerWaalsContact C-N 3.31Å; R117-L119 PolarHBondContact O-N 3.49Å; R117-A120 WeakPolarHBondContact O-CB 3.41Å; R117-A120 PolarHBondContact O-N 3.02Å; R117-A120 VanDerWaalsContact O-N 3.12Å; R117-E121 PolarHBondContact O-N 3.19Å; R117-T127 HydrophobicContact CB-CG2 4.48Å; R117-T127 HydrophobicContact CG-CG2 3.69Å
118E97.2Very high95.6Very high84 Ų8470 Ų7039%0.39338%0.376SS..Hα-helixtrans-59.7-42.4175.7-65.9168-176.800111.2R114 E115 E121 A122R114-E118 IonicContact CZ-OE1 3.57Å; R114-E118 IonicContact NE-OE1 3.06Å; R114-E118 PolarHBondContact NE-OE1 2.94Å; R114-E118 IonicContact NH2-OE1 3.98Å; R114-E118 PolarHBondContact NH2-OE1 3.15Å; R114-E118 PolarHBondContact O-N 3.42Å; R114-E118 VanDerWaalsContact O-N 3.09Å; E115-E118 PolarHBondContact O-N 2.89Å; E118-E121 PolarHBondContact O-N 2.86Å; E118-A122 WeakPolarHBondContact O-CB 3.35Å; E118-A122 PolarHBondContact O-N 2.62Å
119L96.6Very high95.5Very high6 Ų671.1 Ų71.13%0.03138%0.38CS..Hα-helixtrans-65.2-39.4174.2-78.1166.9000113I100 L101 W104 P111 E115 R117 A122 T123 V130 F134I100-L119 HydrophobicContact CG2-CD2 4.03Å; L101-L119 HydrophobicContact CD2-CD2 4.44Å; W104-L119 HydrophobicContact CB-CD2 3.91Å; W104-L119 HydrophobicContact CD2-CD1 3.82Å; W104-L119 HydrophobicContact CD2-CD2 4.42Å; W104-L119 HydrophobicContact CE3-CD1 4.13Å; W104-L119 HydrophobicContact CG-CD1 4.03Å; W104-L119 HydrophobicContact CG-CD2 3.75Å; W104-L119 HydrophobicContact CG-CG 4.3Å; P111-L119 HydrophobicContact CB-CD1 4.35Å; E115-L119 WeakPolarHBondContact O-CB 3.5Å; E115-L119 WeakPolarHBondContact O-CG 3.47Å; E115-L119 PolarHBondContact O-N 3Å; R117-L119 VanDerWaalsContact C-N 3.31Å; R117-L119 PolarHBondContact O-N 3.49Å; L119-A122 PolarHBondContact O-N 3.08Å; L119-T123 VanDerWaalsContact O-CB 3.27Å; L119-T123 WeakPolarHBondContact O-CB 3.36Å; L119-T123 VanDerWaalsContact O-CG2 3.23Å; L119-T123 WeakPolarHBondContact O-CG2 3.17Å; L119-T123 PolarHBondContact O-N 3.05Å; L119-T123 PolarHBondContact O-OG1 2.98Å; L119-V130 HydrophobicContact CB-CG1 3.89Å; L119-V130 HydrophobicContact CB-CG2 4.37Å; L119-V130 HydrophobicContact CD1-CG1 4.05Å; L119-F134 HydrophobicContact CD1-CE2 3.68Å; L119-F134 HydrophobicContact CD1-CZ 3.8Å
120A96Very high95.4Very high9 Ų969.1 Ų69.17%0.07437%0.367CS..Hα-helixtrans-60.6-47176.700000110.6K116 R117 T123 G124 L125 T127 V130K116-A120 VanDerWaalsContact O-CB 3.28Å; K116-A120 WeakPolarHBondContact O-CB 3.41Å; K116-A120 PolarHBondContact O-N 2.87Å; R117-A120 WeakPolarHBondContact O-CB 3.41Å; R117-A120 PolarHBondContact O-N 3.02Å; R117-A120 VanDerWaalsContact O-N 3.12Å; A120-T123 PolarHBondContact O-N 3.36Å; A120-T123 PolarHBondContact O-OG1 3.15Å; A120-G124 WeakPolarHBondContact O-CA 3.49Å; A120-G124 PolarHBondContact O-N 3.02Å; A120-L125 CarbonylContact C-O 3.45Å; A120-L125 WeakPolarHBondContact CA-O 3.39Å; A120-L125 WeakPolarHBondContact CB-O 3.4Å; A120-L125 PolarHBondContact O-N 3.03Å; A120-T127 HydrophobicContact CB-CG2 3.86Å; A120-V130 HydrophobicContact CB-CG2 4.14Å
121E96.4Very high95.3Very high159 Ų15963.6 Ų63.674%0.74335%0.351SS*.Hα-helixtrans-60.6-50.2174.7-71.4172.3-172.500111.8R117 E118 T123 G124R117-E121 PolarHBondContact O-N 3.19Å; E118-E121 PolarHBondContact O-N 2.86Å; E121-T123 VanDerWaalsContact C-N 3.28Å; E121-T123 PolarHBondContact O-N 2.62Å; E121-G124 PolarHBondContact O-N 3.17Å
122A95.2Very high95.1Very high62 Ų6266.8 Ų66.851%0.51237%0.367SS..Hα-helixtrans-63.9-31.3-178.400000113.7I100 E118 L119I100-A122 WeakPolarHBondContact CD1-O 3.33Å; I100-A122 HydrophobicContact CG2-CB 4.45Å; E118-A122 WeakPolarHBondContact O-CB 3.35Å; E118-A122 PolarHBondContact O-N 2.62Å; L119-A122 PolarHBondContact O-N 3.08Å
123T93.1Very high95Very high10 Ų1066.2 Ų66.26%0.06136%0.358CS..Hα-helixtrans-97-11.7-175.759.60000113.7S97 I100 L101 L119 A120 E121 L125S97-T123 PolarHBondContact OG-O 2.7Å; I100-T123 HydrophobicContact CB-CG2 3.9Å; I100-T123 HydrophobicContact CD1-CG2 4.21Å; I100-T123 HydrophobicContact CG2-CG2 3.79Å; L101-T123 HydrophobicContact CD2-CG2 4.23Å; L101-T123 HydrophobicContact CG-CG2 4Å; L119-T123 VanDerWaalsContact O-CB 3.27Å; L119-T123 WeakPolarHBondContact O-CB 3.36Å; L119-T123 VanDerWaalsContact O-CG2 3.23Å; L119-T123 WeakPolarHBondContact O-CG2 3.17Å; L119-T123 PolarHBondContact O-N 3.05Å; L119-T123 PolarHBondContact O-OG1 2.98Å; A120-T123 PolarHBondContact O-N 3.36Å; A120-T123 PolarHBondContact O-OG1 3.15Å; E121-T123 VanDerWaalsContact C-N 3.28Å; E121-T123 PolarHBondContact O-N 2.62Å; T123-L125 PolarHBondContact O-N 2.66Å; T123-L125 WeakPolarHBondContact OG1-CB 3.21Å; T123-L125 WeakPolarHBondContact OG1-CG 3.44Å; T123-L125 PolarHBondContact OG1-N 3.15Å
124G92.2Very high94.9Very high71 Ų7161.6 Ų61.673%0.73233%0.328SS*.THydrogen-bonded Turntrans67.321.9-170.100000113.3A120 E121A120-G124 WeakPolarHBondContact O-CA 3.49Å; A120-G124 PolarHBondContact O-N 3.02Å; E121-G124 PolarHBondContact O-N 3.17Å
125L91.8Very high94.8Very high24 Ų2458.7 Ų58.713%0.12632%0.32CS..  trans-102.2163.7179.5-59.9177.4000110.4F93 L101 A120 T123 Q129 V130F93-L125 HydrophobicContact CB-CD1 4.39Å; F93-L125 HydrophobicContact CB-CD2 4.34Å; F93-L125 HydrophobicContact CD1-CD1 3.97Å; F93-L125 HydrophobicContact CD1-CD2 3.4Å; F93-L125 VanDerWaalsContact CD1-CD2 3.4Å; F93-L125 HydrophobicContact CD1-CG 4.35Å; F93-L125 HydrophobicContact CD2-CD1 3.49Å; F93-L125 VanDerWaalsContact CD2-CD1 3.49Å; F93-L125 HydrophobicContact CD2-CD2 4.45Å; F93-L125 HydrophobicContact CE1-CD1 4.06Å; F93-L125 HydrophobicContact CE1-CD2 3.71Å; F93-L125 HydrophobicContact CE2-CD1 3.57Å; F93-L125 HydrophobicContact CG-CD1 3.7Å; F93-L125 HydrophobicContact CG-CD2 3.83Å; F93-L125 HydrophobicContact CG-CG 4.43Å; F93-L125 HydrophobicContact CZ-CD1 3.88Å; F93-L125 HydrophobicContact CZ-CD2 4.35Å; L101-L125 HydrophobicContact CD1-CD1 3.86Å; A120-L125 CarbonylContact C-O 3.45Å; A120-L125 WeakPolarHBondContact CA-O 3.39Å; A120-L125 WeakPolarHBondContact CB-O 3.4Å; A120-L125 PolarHBondContact O-N 3.03Å; T123-L125 PolarHBondContact O-N 2.66Å; T123-L125 WeakPolarHBondContact OG1-CB 3.21Å; T123-L125 WeakPolarHBondContact OG1-CG 3.44Å; T123-L125 PolarHBondContact OG1-N 3.15Å; L125-Q129 HydrophobicContact CB-CB 4.15Å; L125-V130 HydrophobicContact CB-CG2 4.08Å; L125-V130 HydrophobicContact CD1-CG2 4.44Å
126T92.7Very high94.6Very high77 Ų7759.2 Ų59.247%0.47233%0.325SS..  trans-75.2152.2167.162.50000111.1T128 Q129 V130T126-T128 PolarHBondContact O-N 2.71Å; T126-T128 VanDerWaalsContact O-N 3.16Å; T126-Q129 WeakPolarHBondContact O-CB 3.35Å; T126-Q129 PolarHBondContact O-N 3.24Å; T126-Q129 WeakPolarHBondContact OG1-CB 3.28Å; T126-Q129 VanDerWaalsContact OG1-CD 3.32Å; T126-Q129 VanDerWaalsContact OG1-CG 3.24Å; T126-Q129 WeakPolarHBondContact OG1-CG 3.5Å; T126-Q129 PolarHBondContact OG1-N 2.97Å; T126-Q129 VanDerWaalsContact OG1-N 3.16Å; T126-Q129 PolarHBondContact OG1-OE1 3.36Å; T126-V130 PolarHBondContact O-N 2.92Å
127T94.3Very high94.5Very high64 Ų6461 Ų6139%0.39333%0.33SS..Hα-helixtrans-55.2-33.7173.452.20000112.7R117 A120 S131R117-T127 HydrophobicContact CB-CG2 4.48Å; R117-T127 HydrophobicContact CG-CG2 3.69Å; A120-T127 HydrophobicContact CB-CG2 3.86Å; T127-S131 VanDerWaalsContact O-CB 3.3Å; T127-S131 WeakPolarHBondContact O-CB 3.36Å; T127-S131 PolarHBondContact O-N 3.06Å
128T93.8Very high94.4Very high89 Ų8957 Ų5755%0.54632%0.315SS..Hα-helixtrans-66.6-44.4174.6-64.30000111.8T126 S131 N132T126-T128 PolarHBondContact O-N 2.71Å; T126-T128 VanDerWaalsContact O-N 3.16Å; T128-S131 PolarHBondContact O-N 3.29Å; T128-N132 VanDerWaalsContact O-CB 3.31Å; T128-N132 WeakPolarHBondContact O-CB 3.35Å; T128-N132 VanDerWaalsContact O-CG 3.28Å; T128-N132 PolarHBondContact O-N 2.87Å; T128-N132 PolarHBondContact O-ND2 3.06Å
129Q91.6Very high94.3Very high74 Ų7457.2 Ų57.235%0.34632%0.316SS..Hα-helixtrans-61.3-44.5175.6-79.9165-4200111.6F93 L125 T126 N132 W133F93-Q129 HydrophobicContact CE1-CB 4.1Å; F93-Q129 HydrophobicContact CE1-CG 4.08Å; F93-Q129 HydrophobicContact CZ-CB 3.76Å; F93-Q129 HydrophobicContact CZ-CG 4.15Å; L125-Q129 HydrophobicContact CB-CB 4.15Å; T126-Q129 WeakPolarHBondContact O-CB 3.35Å; T126-Q129 PolarHBondContact O-N 3.24Å; T126-Q129 WeakPolarHBondContact OG1-CB 3.28Å; T126-Q129 VanDerWaalsContact OG1-CD 3.32Å; T126-Q129 VanDerWaalsContact OG1-CG 3.24Å; T126-Q129 WeakPolarHBondContact OG1-CG 3.5Å; T126-Q129 PolarHBondContact OG1-N 2.97Å; T126-Q129 VanDerWaalsContact OG1-N 3.16Å; T126-Q129 PolarHBondContact OG1-OE1 3.36Å; Q129-N132 PolarHBondContact O-N 3.43Å; Q129-W133 WeakPolarHBondContact O-CB 3.14Å; Q129-W133 PolarHBondContact O-N 2.96Å
130V94.4Very high94Very high0 Ų064.1 Ų64.10%034%0.341CS..Hα-helixtrans-59.6-52.9174.3176.70000110L101 K116 L119 A120 L125 T126 N132 W133 F134L101-V130 HydrophobicContact CD2-CG1 4.1Å; L101-V130 HydrophobicContact CD2-CG2 4.42Å; K116-V130 HydrophobicContact CG-CG1 4.46Å; L119-V130 HydrophobicContact CB-CG1 3.89Å; L119-V130 HydrophobicContact CB-CG2 4.37Å; L119-V130 HydrophobicContact CD1-CG1 4.05Å; A120-V130 HydrophobicContact CB-CG2 4.14Å; L125-V130 HydrophobicContact CB-CG2 4.08Å; L125-V130 HydrophobicContact CD1-CG2 4.44Å; T126-V130 PolarHBondContact O-N 2.92Å; V130-N132 VanDerWaalsContact C-N 3.3Å; V130-N132 PolarHBondContact O-N 3.44Å; V130-W133 WeakPolarHBondContact O-CB 3.47Å; V130-W133 PolarHBondContact O-N 3.12Å; V130-F134 HydrophobicContact CG1-CD2 3.86Å; V130-F134 HydrophobicContact CG1-CE2 3.84Å; V130-F134 WeakPolarHBondContact O-CD2 3.48Å; V130-F134 PolarHBondContact O-N 3.46Å
131S94.9Very high93.8Very high39 Ų3965.5 Ų65.527%0.27335%0.347SS..Hα-helixtrans-57.5-42.4-179.2-162.40000112.3K116 T127 T128 K135K116-S131 PolarHBondContact NZ-OG 3.32Å; T127-S131 VanDerWaalsContact O-CB 3.3Å; T127-S131 WeakPolarHBondContact O-CB 3.36Å; T127-S131 PolarHBondContact O-N 3.06Å; T128-S131 PolarHBondContact O-N 3.29Å; S131-K135 WeakPolarHBondContact O-CB 3.37Å; S131-K135 PolarHBondContact O-N 3.26Å
132N93.5Very high93.6Very high77 Ų7765.2 Ų65.241%0.41234%0.34SS..Hα-helixtrans-66.8-38.2176.1-76-25.4000112.4T128 Q129 V130 K135 N136T128-N132 VanDerWaalsContact O-CB 3.31Å; T128-N132 WeakPolarHBondContact O-CB 3.35Å; T128-N132 VanDerWaalsContact O-CG 3.28Å; T128-N132 PolarHBondContact O-N 2.87Å; T128-N132 PolarHBondContact O-ND2 3.06Å; Q129-N132 PolarHBondContact O-N 3.43Å; V130-N132 VanDerWaalsContact C-N 3.3Å; V130-N132 PolarHBondContact O-N 3.44Å; N132-K135 PolarHBondContact O-N 3.44Å; N132-N136 VanDerWaalsContact O-CB 3.3Å; N132-N136 WeakPolarHBondContact O-CB 3.36Å; N132-N136 PolarHBondContact O-N 2.88Å; N132-N136 PolarHBondContact O-ND2 3.11Å
133W94.1Very high93.3Very high35 Ų3565.3 Ų65.313%0.13334%0.34CS..Hα-helixtrans-61.2-49.2176.6-17396.6000111.3F93 L101 R102 Y105 Q129 V130 K135 N136 R137F93-W133 AromaticContact CD2-CD1 3.85Å; F93-W133 HydrophobicContact CE2-CB 4Å; F93-W133 AromaticContact CE2-CD1 3.54Å; F93-W133 HydrophobicContact CE2-CG 4.05Å; L101-W133 HydrophobicContact CB-CD2 3.95Å; L101-W133 HydrophobicContact CB-CE3 3.94Å; L101-W133 HydrophobicContact CB-CH2 3.82Å; L101-W133 HydrophobicContact CB-CZ2 3.79Å; L101-W133 HydrophobicContact CB-CZ3 3.89Å; L101-W133 HydrophobicContact CD1-CB 4.38Å; L101-W133 HydrophobicContact CD1-CD2 3.87Å; L101-W133 HydrophobicContact CD1-CE3 4.44Å; L101-W133 HydrophobicContact CD1-CG 3.8Å; L101-W133 HydrophobicContact CD2-CE3 4.37Å; L101-W133 HydrophobicContact CG-CD2 4.36Å; L101-W133 HydrophobicContact CG-CE3 4.49Å; L101-W133 WeakPolarHBondContact O-CH2 3.45Å; L101-W133 WeakPolarHBondContact O-CZ3 3.28Å; R102-W133 HydrophobicContact CG-CH2 4.23Å; R102-W133 HydrophobicContact CG-CZ2 4.06Å; Y105-W133 HydrophobicContact CD2-CH2 4.46Å; Y105-W133 AromaticContact CD2-CZ3 3.86Å; Y105-W133 HydrophobicContact CD2-CZ3 3.86Å; Y105-W133 HydrophobicContact CG-CH2 4.3Å; Y105-W133 HydrophobicContact CG-CZ3 4.1Å; Q129-W133 WeakPolarHBondContact O-CB 3.14Å; Q129-W133 PolarHBondContact O-N 2.96Å; V130-W133 WeakPolarHBondContact O-CB 3.47Å; V130-W133 PolarHBondContact O-N 3.12Å; W133-K135 PolarHBondContact O-N 3.48Å; W133-N136 PolarHBondContact O-N 3.4Å; W133-R137 HydrophobicContact CE3-CB 4.39Å; W133-R137 HydrophobicContact CH2-CB 4.36Å; W133-R137 HydrophobicContact CH2-CG 4.15Å; W133-R137 HydrophobicContact CZ3-CB 4.18Å; W133-R137 HydrophobicContact CZ3-CG 4.32Å; W133-R137 WeakPolarHBondContact O-CB 3.4Å; W133-R137 PolarHBondContact O-N 2.61Å
134F96.2Very high93Very high1 Ų167.4 Ų67.40%0.00436%0.359CS..Hα-helixtrans-61.8-43.5177.8-85.9-92.3000112L101 W104 Y105 P109 P111 L119 V130 N136 R137 R138L101-F134 HydrophobicContact CD2-CD2 4.48Å; L101-F134 HydrophobicContact CD2-CE2 3.72Å; W104-F134 HydrophobicContact CB-CZ 4.45Å; W104-F134 HydrophobicContact CD2-CZ 4.15Å; W104-F134 AromaticContact CE3-CE1 3.44Å; W104-F134 HydrophobicContact CE3-CE1 3.44Å; W104-F134 VanDerWaalsContact CE3-CE1 3.44Å; W104-F134 AromaticContact CE3-CZ 3.36Å; W104-F134 HydrophobicContact CE3-CZ 3.36Å; W104-F134 AromaticContact CZ3-CE1 3.78Å; W104-F134 HydrophobicContact CZ3-CE1 3.78Å; W104-F134 HydrophobicContact CZ3-CZ 4.02Å; Y105-F134 AromaticContact CD2-CD1 3.59Å; Y105-F134 HydrophobicContact CD2-CD1 3.59Å; Y105-F134 AromaticContact CD2-CE1 3.67Å; Y105-F134 HydrophobicContact CD2-CE1 3.67Å; Y105-F134 HydrophobicContact CE2-CD1 4.18Å; Y105-F134 HydrophobicContact CG-CE1 4.39Å; P109-F134 WeakPolarHBondContact O-CD1 3.38Å; P111-F134 VanDerWaalsContact CD-CD1 3.46Å; P111-F134 HydrophobicContact CG-CD1 3.78Å; P111-F134 HydrophobicContact CG-CD2 3.99Å; P111-F134 HydrophobicContact CG-CE1 3.86Å; P111-F134 HydrophobicContact CG-CE2 4.08Å; P111-F134 HydrophobicContact CG-CG 3.86Å; P111-F134 HydrophobicContact CG-CZ 4.02Å; L119-F134 HydrophobicContact CD1-CE2 3.68Å; L119-F134 HydrophobicContact CD1-CZ 3.8Å; V130-F134 HydrophobicContact CG1-CD2 3.86Å; V130-F134 HydrophobicContact CG1-CE2 3.84Å; V130-F134 WeakPolarHBondContact O-CD2 3.48Å; V130-F134 PolarHBondContact O-N 3.46Å; F134-N136 PolarHBondContact O-N 3.25Å; F134-R137 PolarHBondContact O-N 2.95Å; F134-R138 WeakPolarHBondContact O-CG 3.36Å; F134-R138 PolarHBondContact O-N 3.29Å; F134-R138 VanDerWaalsContact O-N 3.08Å
135K94.9Very high92.7Very high105 Ų10569.8 Ų69.846%0.45735%0.35SS..Hα-helixtrans-57.9-49.9174.7178.8-176.1173.2-178.10111.5S131 N132 W133 R137 R138 Q139S131-K135 WeakPolarHBondContact O-CB 3.37Å; S131-K135 PolarHBondContact O-N 3.26Å; N132-K135 PolarHBondContact O-N 3.44Å; W133-K135 PolarHBondContact O-N 3.48Å; K135-R137 VanDerWaalsContact C-N 3.34Å; K135-R138 PolarHBondContact O-N 3.41Å; K135-Q139 WeakPolarHBondContact O-CG 3.37Å; K135-Q139 PolarHBondContact O-N 2.78Å; K135-Q139 VanDerWaalsContact O-N 3.1Å
136N93.2Very high92.2Very high66 Ų6672 Ų7235%0.35337%0.372SS..Hα-helixtrans-68.2-34.6-177.5-69.6-14.3000111.7N132 W133 F134 Q139 R140N132-N136 VanDerWaalsContact O-CB 3.3Å; N132-N136 WeakPolarHBondContact O-CB 3.36Å; N132-N136 PolarHBondContact O-N 2.88Å; N132-N136 PolarHBondContact O-ND2 3.11Å; W133-N136 PolarHBondContact O-N 3.4Å; F134-N136 PolarHBondContact O-N 3.25Å; N136-Q139 PolarHBondContact O-N 3.37Å; N136-R140 WeakPolarHBondContact O-CG 3.23Å; N136-R140 PolarHBondContact O-N 3.12Å
137R94.3Very high91.4Very high90 Ų9076.8 Ų76.834%0.3439%0.387SS..Hα-helixtrans-64.3-50175.7-173.959.1173.6142-8.8111.5Y105 W133 F134 K135 Q139 R140 D141Y105-R137 HydrophobicContact CD1-CG 4.03Å; Y105-R137 HydrophobicContact CD2-CB 4.31Å; Y105-R137 HydrophobicContact CD2-CG 3.94Å; Y105-R137 HydrophobicContact CE1-CG 3.67Å; Y105-R137 HydrophobicContact CE2-CB 3.86Å; Y105-R137 HydrophobicContact CE2-CG 3.6Å; Y105-R137 HydrophobicContact CG-CG 4.15Å; Y105-R137 VanDerWaalsContact CZ-CG 3.44Å; W133-R137 HydrophobicContact CE3-CB 4.39Å; W133-R137 HydrophobicContact CH2-CB 4.36Å; W133-R137 HydrophobicContact CH2-CG 4.15Å; W133-R137 HydrophobicContact CZ3-CB 4.18Å; W133-R137 HydrophobicContact CZ3-CG 4.32Å; W133-R137 WeakPolarHBondContact O-CB 3.4Å; W133-R137 PolarHBondContact O-N 2.61Å; F134-R137 PolarHBondContact O-N 2.95Å; K135-R137 VanDerWaalsContact C-N 3.34Å; R137-Q139 PolarHBondContact O-N 3.12Å; R137-R140 WeakPolarHBondContact O-CB 3.18Å; R137-R140 PolarHBondContact O-N 2.82Å; R137-D141 IonicContact CZ-OD1 2.98Å; R137-D141 IonicContact NE-OD1 3.49Å; R137-D141 IonicContact NH1-OD1 3.64Å; R137-D141 PolarHBondContact NH1-OD1 3.38Å; R137-D141 IonicContact NH2-OD1 2.89Å; R137-D141 PolarHBondContact O-N 3.36Å
138R96.5Very high90.2Very high55 Ų5580.8 Ų80.821%0.20841%0.406CS..Hα-helixtrans-59.9-31174.5-68.1-168.2-57.1-91.20.7113.7Y105 P109 Y110 F134 K135 R142Y105-R138 HydrophobicContact CE2-CG 3.82Å; Y105-R138 WeakPolarHBondContact OH-CA 3.33Å; Y105-R138 VanDerWaalsContact OH-CG 3.25Å; Y105-R138 WeakPolarHBondContact OH-CG 3.21Å; Y105-R138 PolarHBondContact OH-N 2.97Å; P109-R138 HydrophobicContact CB-CG 4.48Å; P109-R138 PolarHBondContact O-NH1 3.1Å; Y110-R138 VanDerWaalsContact CE1-NE 3.26Å; Y110-R138 WeakPolarHBondContact OH-CD 3.31Å; F134-R138 WeakPolarHBondContact O-CG 3.36Å; F134-R138 PolarHBondContact O-N 3.29Å; F134-R138 VanDerWaalsContact O-N 3.08Å; K135-R138 PolarHBondContact O-N 3.41Å; R138-R142 WeakPolarHBondContact O-CG 3.4Å; R138-R142 PolarHBondContact O-N 3.46Å; R138-R142 PolarHBondContact O-NE 3.07Å
139Q94.1Very high88.6Confident88 Ų8889.3 Ų89.341%0.41143%0.428SS..Hα-helixtrans-69.5-39.6173.6-76.6179-9.900112.1K135 N136 R137 A143K135-Q139 WeakPolarHBondContact O-CG 3.37Å; K135-Q139 PolarHBondContact O-N 2.78Å; K135-Q139 VanDerWaalsContact O-N 3.1Å; N136-Q139 PolarHBondContact O-N 3.37Å; R137-Q139 PolarHBondContact O-N 3.12Å; Q139-A143 WeakPolarHBondContact O-CB 2.8Å; Q139-A143 PolarHBondContact O-N 3.46Å; Q139-A143 VanDerWaalsContact O-N 3.08Å
140R91.4Very high88.4Confident152 Ų15290.1 Ų90.157%0.57443%0.432SS*.Hα-helixtrans-67.1-40.7176.8-71170.6-175.9149.8-0.3112N136 R137 A143 A144N136-R140 WeakPolarHBondContact O-CG 3.23Å; N136-R140 PolarHBondContact O-N 3.12Å; R137-R140 WeakPolarHBondContact O-CB 3.18Å; R137-R140 PolarHBondContact O-N 2.82Å; R140-A143 PolarHBondContact O-N 2.76Å; R140-A144 PolarHBondContact O-N 2.81Å
141D91.8Very high88.1Confident37 Ų3794.8 Ų94.820%0.19846%0.455CS..Hα-helixtrans-65.4-47.3-179.2-61.1-7.2000110.6Y105 R137 A143 A144 E145Y105-D141 WeakPolarHBondContact CE1-OD2 3.44Å; Y105-D141 VanDerWaalsContact CZ-OD2 3.25Å; Y105-D141 PolarHBondContact OH-OD2 3.4Å; R137-D141 IonicContact CZ-OD1 2.98Å; R137-D141 IonicContact NE-OD1 3.49Å; R137-D141 IonicContact NH1-OD1 3.64Å; R137-D141 PolarHBondContact NH1-OD1 3.38Å; R137-D141 IonicContact NH2-OD1 2.89Å; R137-D141 PolarHBondContact O-N 3.36Å; D141-A143 VanDerWaalsContact C-N 3.29Å; D141-A143 PolarHBondContact O-N 2.95Å; D141-A144 WeakPolarHBondContact O-CB 3.27Å; D141-A144 PolarHBondContact O-N 2.89Å; D141-A144 VanDerWaalsContact O-N 3.08Å; D141-E145 WeakPolarHBondContact O-CG 3.38Å; D141-E145 PolarHBondContact O-N 3.49Å
142R92.1Very high87.7Confident154 Ų15497.9 Ų97.958%0.58147%0.465SS*.Hα-helixtrans-59.3-37.6172.9-72.2-175.4-67.6163.6-2.2113.5R138 A144 A146R138-R142 WeakPolarHBondContact O-CG 3.4Å; R138-R142 PolarHBondContact O-N 3.46Å; R138-R142 PolarHBondContact O-NE 3.07Å; R142-A144 VanDerWaalsContact C-N 3.33Å; R142-A146 WeakPolarHBondContact O-CB 3.37Å; R142-A146 PolarHBondContact O-N 3.09Å; R142-A146 VanDerWaalsContact O-N 3.09Å
143A88.3Confident87.4Confident64 Ų6499.1 Ų99.153%0.52947%0.468SS..Hα-helixtrans-70.3-30.5177.600000112.5Q139 R140 D141Q139-A143 WeakPolarHBondContact O-CB 2.8Å; Q139-A143 PolarHBondContact O-N 3.46Å; Q139-A143 VanDerWaalsContact O-N 3.08Å; R140-A143 PolarHBondContact O-N 2.76Å; D141-A143 VanDerWaalsContact C-N 3.29Å; D141-A143 PolarHBondContact O-N 2.95Å
144A86.4Confident87Confident54 Ų54103.1 Ų103.145%0.44649%0.489SS..Hα-helixtrans-71-46.817300000111R140 D141 R142 A146 K147 D148R140-A144 PolarHBondContact O-N 2.81Å; D141-A144 WeakPolarHBondContact O-CB 3.27Å; D141-A144 PolarHBondContact O-N 2.89Å; D141-A144 VanDerWaalsContact O-N 3.08Å; R142-A144 VanDerWaalsContact C-N 3.33Å; A144-A146 PolarHBondContact O-N 2.98Å; A144-K147 WeakPolarHBondContact O-CB 3.5Å; A144-K147 PolarHBondContact O-N 3.42Å; A144-D148 PolarHBondContact O-N 2.92Å
145E85.8Confident86.4Confident120 Ų120109.9 Ų109.956%0.56152%0.521SS*.Hα-helixtrans-58.4-34.4176.2-69.6169.2-162.200113.2D141 K147D141-E145 WeakPolarHBondContact O-CG 3.38Å; D141-E145 PolarHBondContact O-N 3.49Å; E145-K147 VanDerWaalsContact C-N 3.29Å; E145-K147 PolarHBondContact O-N 3.39Å
146A82.9Confident85.7Confident71 Ų71110.3 Ų110.359%0.58753%0.526SS*.THydrogen-bonded Turntrans-74.1-17.1177.600000113.7R142 A144R142-A146 WeakPolarHBondContact O-CB 3.37Å; R142-A146 PolarHBondContact O-N 3.09Å; R142-A146 VanDerWaalsContact O-N 3.09Å; A144-A146 PolarHBondContact O-N 2.98Å
147K74.7Confident85.2Confident177 Ų177113.7 Ų113.777%0.7754%0.539SS*.THydrogen-bonded Turntrans-88.8-24.2179.1-167.2-176.9175.5-1670112.3A144 E145 R149A144-K147 WeakPolarHBondContact O-CB 3.5Å; A144-K147 PolarHBondContact O-N 3.42Å; E145-K147 VanDerWaalsContact C-N 3.29Å; E145-K147 PolarHBondContact O-N 3.39Å; K147-R149 VanDerWaalsContact C-N 3.28Å
148D68.6Low84.4Confident149 Ų149115.7 Ų115.780%0.79756%0.556SS**  trans-89.37.5179.8-67.6-12.8000112.9A144A144-D148 PolarHBondContact O-N 2.92Å
149R60.5Low83.3Confident267 Ų267121.2 Ų121.2100%1.00859%0.587SS**  trans-118.30179.6-158.9-169.5-59.1-148.11.2110.4K147K147-R149 VanDerWaalsContact C-N 3.28Å

Retrieved 149 of 149 residues in 428.8 ms (Link to these results)

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