A0A3Q0KTJ8_SCHMA Loading...

Methyl methanesulfonate-sensitivity protein 22-like

AlphaFold DB , UniProt , Accession A0A3Q0KTJ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 699 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
1M38.4Very low61.3Low240 Ų24063 Ų63100%1.18231%0.306SS*.  0123.30-90.7173.9156.900107.7
2K50.4Low61.8Low132 Ų13258.7 Ų58.757%0.57429%0.285SS*.  trans-66.1141.4166.6-73.7178.8176.7179.10107.5Y6K2-Y6 HydrophobicContact CB-CD1 4.46Å; K2-Y6 HydrophobicContact CD-CD1 4.08Å; K2-Y6 HydrophobicContact CD-CE1 4.23Å; K2-Y6 HydrophobicContact CG-CD1 4.33Å
3I56Low61.9Low103 Ų10361.2 Ų61.253%0.52830%0.3SS..  trans-74.5139.1179.5-44.4172.5000107.5G5 Y6 S7 E50I3-G5 VanDerWaalsContact C-N 3.29Å; I3-G5 PolarHBondContact O-N 2.94Å; I3-G5 VanDerWaalsContact O-N 3.16Å; I3-Y6 WeakPolarHBondContact O-CA 3.45Å; I3-Y6 VanDerWaalsContact O-CB 3.31Å; I3-Y6 WeakPolarHBondContact O-CB 3.36Å; I3-Y6 PolarHBondContact O-N 3.45Å; I3-S7 PolarHBondContact O-N 3.42Å; I3-E50 WeakPolarHBondContact CG2-OE1 3.48Å
4P63.8Low61.7Low51 Ų5158.1 Ų58.133%0.33129%0.29SS..Hα-helixtrans-55.7-37-169.1-25.932.3000115Y6 S7 I8 F42 L46P4-Y6 VanDerWaalsContact C-N 3.31Å; P4-Y6 PolarHBondContact O-N 3.4Å; P4-S7 WeakPolarHBondContact O-CB 3.28Å; P4-S7 PolarHBondContact O-N 3.05Å; P4-I8 WeakPolarHBondContact O-CD1 3.45Å; P4-I8 WeakPolarHBondContact O-CG1 3.33Å; P4-I8 PolarHBondContact O-N 2.79Å; P4-F42 HydrophobicContact CB-CE2 3.8Å; P4-F42 HydrophobicContact CB-CZ 3.61Å; P4-F42 HydrophobicContact CG-CE2 4.05Å; P4-F42 HydrophobicContact CG-CZ 4.36Å; P4-L46 HydrophobicContact CB-CD2 4.18Å
5G59.4Low61.2Low0 Ų065.5 Ų65.50%032%0.32CS..Hα-helixtrans-71.4-23.3176.400000114.1I3 A9 E50I3-G5 VanDerWaalsContact C-N 3.29Å; I3-G5 PolarHBondContact O-N 2.94Å; I3-G5 VanDerWaalsContact O-N 3.16Å; G5-A9 VanDerWaalsContact O-CB 3.26Å; G5-A9 WeakPolarHBondContact O-CB 3.46Å; G5-A9 PolarHBondContact O-N 2.85Å; G5-E50 WeakPolarHBondContact CA-OE2 3.4Å; G5-E50 PolarHBondContact N-OE2 3.04Å
6Y63Low60.8Low124 Ų12461.7 Ų61.749%0.48630%0.301SS..Hα-helixtrans-67.7-44.3168.1-174.8-92.2000110.7K2 I3 P4 I8 A9 T10K2-Y6 HydrophobicContact CB-CD1 4.46Å; K2-Y6 HydrophobicContact CD-CD1 4.08Å; K2-Y6 HydrophobicContact CD-CE1 4.23Å; K2-Y6 HydrophobicContact CG-CD1 4.33Å; I3-Y6 WeakPolarHBondContact O-CA 3.45Å; I3-Y6 VanDerWaalsContact O-CB 3.31Å; I3-Y6 WeakPolarHBondContact O-CB 3.36Å; I3-Y6 PolarHBondContact O-N 3.45Å; P4-Y6 VanDerWaalsContact C-N 3.31Å; P4-Y6 PolarHBondContact O-N 3.4Å; Y6-I8 VanDerWaalsContact C-N 3.28Å; Y6-I8 PolarHBondContact O-N 3.15Å; Y6-A9 PolarHBondContact O-N 2.67Å; Y6-T10 WeakPolarHBondContact O-CB 3.29Å; Y6-T10 PolarHBondContact O-N 3.2Å; Y6-T10 PolarHBondContact O-OG1 3.27Å
7S66.6Low60Low4 Ų463.4 Ų63.43%0.02832%0.318CS..Hα-helixtrans-56.4-44.7174.9-690000111.1I3 P4 T10 I11 I685I3-S7 PolarHBondContact O-N 3.42Å; P4-S7 WeakPolarHBondContact O-CB 3.28Å; P4-S7 PolarHBondContact O-N 3.05Å; S7-T10 WeakPolarHBondContact O-CB 3.3Å; S7-T10 PolarHBondContact O-N 3.43Å; S7-I11 PolarHBondContact O-N 2.99Å; S7-I685 VanDerWaalsContact CB-CD1 3.41Å
8I69Low59.2Low2 Ų262.4 Ų62.41%0.0133%0.326CS..Hα-helixtrans-69.6-43.6178.5-57.8155.7000112.1P4 Y6 T10 I11 W43 L46 M54 L81 L681P4-I8 WeakPolarHBondContact O-CD1 3.45Å; P4-I8 WeakPolarHBondContact O-CG1 3.33Å; P4-I8 PolarHBondContact O-N 2.79Å; Y6-I8 VanDerWaalsContact C-N 3.28Å; Y6-I8 PolarHBondContact O-N 3.15Å; I8-T10 PolarHBondContact O-N 2.85Å; I8-I11 VanDerWaalsContact O-CB 3.31Å; I8-I11 WeakPolarHBondContact O-CB 3.46Å; I8-I11 PolarHBondContact O-N 3.31Å; I8-W43 HydrophobicContact CD1-CE3 4.48Å; I8-W43 HydrophobicContact CD1-CH2 3.59Å; I8-W43 HydrophobicContact CD1-CZ3 3.39Å; I8-W43 HydrophobicContact CG1-CH2 4.38Å; I8-L46 HydrophobicContact CD1-CD1 4.14Å; I8-M54 HydrophobicContact CB-CE 4.24Å; I8-M54 HydrophobicContact CB-CG 4.21Å; I8-M54 HydrophobicContact CB-SD 3.84Å; I8-M54 HydrophobicContact CD1-SD 4.07Å; I8-M54 HydrophobicContact CG2-CE 3.32Å; I8-M54 HydrophobicContact CG2-CG 3.97Å; I8-M54 HydrophobicContact CG2-SD 3.59Å; I8-M54 VanDerWaalsContact CG2-SD 3.59Å; I8-L81 HydrophobicContact CG2-CD1 3.84Å; I8-L81 HydrophobicContact CG2-CD2 4.49Å; I8-L681 HydrophobicContact CD1-CD1 4.07Å; I8-L681 HydrophobicContact CG1-CD1 3.65Å; I8-L681 HydrophobicContact CG1-CD2 3.96Å; I8-L681 HydrophobicContact CG1-CG 4.47Å
9A67.2Low58.6Low3 Ų370.4 Ų70.43%0.02536%0.358CS..Hα-helixtrans-59.9-33.1175.200000111.8G5 Y6 I11 F12 D13 L53 M54G5-A9 VanDerWaalsContact O-CB 3.26Å; G5-A9 WeakPolarHBondContact O-CB 3.46Å; G5-A9 PolarHBondContact O-N 2.85Å; Y6-A9 PolarHBondContact O-N 2.67Å; A9-I11 PolarHBondContact O-N 3.46Å; A9-F12 PolarHBondContact O-N 3.27Å; A9-F12 VanDerWaalsContact O-N 3.11Å; A9-D13 PolarHBondContact O-N 2.89Å; A9-L53 HydrophobicContact CB-CD2 3.83Å; A9-L53 HydrophobicContact CB-CG 4.07Å; A9-M54 HydrophobicContact CB-CG 4.32Å
10T68.8Low58.3Low31 Ų3168.6 Ų68.619%0.1935%0.349CS..Hα-helixtrans-64.6-26.5177-47.40000111.8Y6 S7 I8 F12 D13 A14Y6-T10 WeakPolarHBondContact O-CB 3.29Å; Y6-T10 PolarHBondContact O-N 3.2Å; Y6-T10 PolarHBondContact O-OG1 3.27Å; S7-T10 WeakPolarHBondContact O-CB 3.3Å; S7-T10 PolarHBondContact O-N 3.43Å; I8-T10 PolarHBondContact O-N 2.85Å; T10-F12 PolarHBondContact O-N 3.15Å; T10-D13 CarbonylContact O-C 3.55Å; T10-D13 PolarHBondContact O-N 3.4Å; T10-D13 VanDerWaalsContact O-N 3.12Å; T10-A14 WeakPolarHBondContact O-CA 3.47Å; T10-A14 WeakPolarHBondContact O-CB 3.45Å; T10-A14 PolarHBondContact O-N 3.13Å
11I71.7Confident58.3Low3 Ų370.1 Ų70.12%0.01536%0.358CS..Hα-helixtrans-60.7-34.4174.7-61.8173.7000111S7 I8 A9 F16 L28 I73 A77 L681 I684S7-I11 PolarHBondContact O-N 2.99Å; I8-I11 VanDerWaalsContact O-CB 3.31Å; I8-I11 WeakPolarHBondContact O-CB 3.46Å; I8-I11 PolarHBondContact O-N 3.31Å; A9-I11 PolarHBondContact O-N 3.46Å; I11-F16 HydrophobicContact CG2-CZ 4.39Å; I11-L28 HydrophobicContact CD1-CD2 4.47Å; I11-I73 HydrophobicContact CG2-CG2 4.03Å; I11-A77 HydrophobicContact CG2-CB 4.04Å; I11-L681 HydrophobicContact CD1-CD2 3.72Å; I11-I684 HydrophobicContact CD1-CG2 4.46Å; I11-I684 HydrophobicContact CG1-CG2 4.46Å
12F67.2Low59.7Low11 Ų1161 Ų615%0.04831%0.314CS..Hα-helixtrans-80.4-17.6178.5-63.7-77.2000113.7A9 T10 H57 A58 I74 A77 A78 L81 L96A9-F12 PolarHBondContact O-N 3.27Å; A9-F12 VanDerWaalsContact O-N 3.11Å; T10-F12 PolarHBondContact O-N 3.15Å; F12-H57 HydrophobicContact CB-CB 4.01Å; F12-A58 HydrophobicContact CD1-CB 4.01Å; F12-A58 HydrophobicContact CE1-CB 3.96Å; F12-A58 HydrophobicContact CG-CB 4.46Å; F12-A58 HydrophobicContact CZ-CB 4.36Å; F12-I74 HydrophobicContact CD1-CG2 3.97Å; F12-I74 HydrophobicContact CE1-CG2 4.26Å; F12-A77 HydrophobicContact CE1-CB 4.47Å; F12-A77 HydrophobicContact CZ-CB 4.27Å; F12-A78 HydrophobicContact CE1-CB 4.48Å; F12-L81 HydrophobicContact CE2-CD1 3.84Å; F12-L81 HydrophobicContact CZ-CD1 3.76Å; F12-L96 HydrophobicContact CE1-CD2 4.12Å; F12-L96 HydrophobicContact CE2-CD2 4.32Å; F12-L96 HydrophobicContact CZ-CD2 3.55Å
13D63.7Low60.9Low91 Ų9158.1 Ų58.149%0.48731%0.308SS..Hα-helixtrans-103.6-15.1177.9-79.6-0.5000113.2A9 T10 H57A9-D13 PolarHBondContact O-N 2.89Å; T10-D13 CarbonylContact O-C 3.55Å; T10-D13 PolarHBondContact O-N 3.4Å; T10-D13 VanDerWaalsContact O-N 3.12Å; D13-H57 IonicContact OD1-CE1 2.92Å; D13-H57 IonicContact OD1-CG 2.81Å; D13-H57 IonicContact OD1-ND1 3.22Å; D13-H57 PolarHBondContact OD1-ND1 3.44Å; D13-H57 IonicContact OD2-CE1 2.64Å; D13-H57 PolarHBondContact OD2-CE1 3.26Å; D13-H57 IonicContact OD2-ND1 3.02Å; D13-H57 PolarHBondContact OD2-ND1 3.46Å
14A58.2Low61.9Low18 Ų1854.6 Ų54.615%0.14929%0.289CS..  trans-71.1132.4-173.300000111T10 F16T10-A14 WeakPolarHBondContact O-CA 3.47Å; T10-A14 WeakPolarHBondContact O-CB 3.45Å; T10-A14 PolarHBondContact O-N 3.13Å; A14-F16 HydrophobicContact CB-CD2 4.21Å; A14-F16 HydrophobicContact CB-CE1 4.4Å; A14-F16 HydrophobicContact CB-CE2 3.63Å; A14-F16 HydrophobicContact CB-CZ 3.73Å; A14-F16 VanDerWaalsContact O-CD2 3.3Å; A14-F16 WeakPolarHBondContact O-CD2 3.3Å; A14-F16 WeakPolarHBondContact O-CE2 3.21Å
15K53.9Low62.5Low170 Ų17052.2 Ų52.274%0.73927%0.274SS*.  trans-84.3125.4164.2-65.8-172176.7-171.60107.4P17K15-P17 VanDerWaalsContact C-CD 3.45Å; K15-P17 WeakPolarHBondContact O-CD 3.39Å
16F56.1Low63.5Low4 Ų453.2 Ų53.22%0.01828%0.279CS..  trans-109.782.8-178.4-64.5-91.6000109.2I11 A14 G18 L20 E70 I73I11-F16 HydrophobicContact CG2-CZ 4.39Å; A14-F16 HydrophobicContact CB-CD2 4.21Å; A14-F16 HydrophobicContact CB-CE1 4.4Å; A14-F16 HydrophobicContact CB-CE2 3.63Å; A14-F16 HydrophobicContact CB-CZ 3.73Å; A14-F16 VanDerWaalsContact O-CD2 3.3Å; A14-F16 WeakPolarHBondContact O-CD2 3.3Å; A14-F16 WeakPolarHBondContact O-CE2 3.21Å; F16-G18 PolarHBondContact O-N 3.5Å; F16-G18 VanDerWaalsContact O-N 3.12Å; F16-L20 HydrophobicContact CB-CD1 3.75Å; F16-L20 HydrophobicContact CD1-CD1 3.6Å; F16-L20 HydrophobicContact CD1-CD2 4.36Å; F16-L20 HydrophobicContact CG-CD1 4.11Å; F16-E70 HydrophobicContact CB-CG 3.94Å; F16-E70 HydrophobicContact CD2-CB 4.43Å; F16-E70 PolarHBondContact N-OE1 3.11Å; F16-E70 WeakPolarHBondContact O-CG 3.49Å; F16-I73 HydrophobicContact CB-CD1 3.92Å; F16-I73 HydrophobicContact CD1-CD1 3.45Å; F16-I73 VanDerWaalsContact CD1-CD1 3.45Å; F16-I73 HydrophobicContact CD2-CD1 3.78Å; F16-I73 HydrophobicContact CE1-CD1 3.75Å; F16-I73 HydrophobicContact CE1-CG2 4.2Å; F16-I73 HydrophobicContact CE2-CB 4.24Å; F16-I73 HydrophobicContact CE2-CD1 4.09Å; F16-I73 HydrophobicContact CE2-CG2 3.87Å; F16-I73 HydrophobicContact CG-CD1 3.46Å; F16-I73 VanDerWaalsContact CG-CD1 3.46Å; F16-I73 HydrophobicContact CZ-CB 4.43Å; F16-I73 HydrophobicContact CZ-CD1 4.08Å; F16-I73 HydrophobicContact CZ-CG2 3.66Å
17P46.3Very low64.3Low91 Ų9151 Ų5159%0.59127%0.27SS*.  trans-74105-177.829-33.5000110.9K15K15-P17 VanDerWaalsContact C-CD 3.45Å; K15-P17 WeakPolarHBondContact O-CD 3.39Å
18G45.7Very low65.1Low45 Ų4551 Ų5146%0.46427%0.27SS..SBendtrans126.4-179.5167.400000115.6F16 L20F16-G18 PolarHBondContact O-N 3.5Å; F16-G18 VanDerWaalsContact O-N 3.12Å; G18-L20 PolarHBondContact O-N 2.85Å
19K47.4Very low65.7Low215 Ų21551 Ų5194%0.93527%0.27SS*.  trans-68.995.2172.1-77.4-179.2175.1-178.70108.1
20L52.5Low66.2Low33 Ų3353.2 Ų53.217%0.17328%0.281CS..  trans-75.2145175.7-126109.6000110.7F16 G18 D22 I73F16-L20 HydrophobicContact CB-CD1 3.75Å; F16-L20 HydrophobicContact CD1-CD1 3.6Å; F16-L20 HydrophobicContact CD1-CD2 4.36Å; F16-L20 HydrophobicContact CG-CD1 4.11Å; G18-L20 PolarHBondContact O-N 2.85Å; L20-D22 PolarHBondContact O-N 2.92Å; L20-I73 HydrophobicContact CB-CD1 4.22Å; L20-I73 HydrophobicContact CD1-CD1 4.01Å; L20-I73 HydrophobicContact CD2-CD1 3.79Å; L20-I73 HydrophobicContact CG-CD1 4.22Å
21D59.2Low66.8Low102 Ų10251.7 Ų51.755%0.54527%0.272SS..  trans-74100.6166.8-178.96.7000109.1T23D21-T23 PolarHBondContact O-N 3.36Å; D21-T23 WeakPolarHBondContact OD1-CB 3.46Å; D21-T23 PolarHBondContact OD1-N 3.25Å; D21-T23 VanDerWaalsContact OD1-N 3.1Å; D21-T23 PolarHBondContact OD1-OG1 3.45Å
22D68.6Low67.2Low48 Ų4851.6 Ų51.626%0.25727%0.271SS..THydrogen-bonded Turntrans-56.3-13.4178.4-75.627.6000113.7L20 L24 I25 N26 K76L20-D22 PolarHBondContact O-N 2.92Å; D22-L24 VanDerWaalsContact C-N 3.31Å; D22-L24 PolarHBondContact O-N 2.97Å; D22-I25 PolarHBondContact O-N 2.94Å; D22-N26 WeakPolarHBondContact O-CB 3.38Å; D22-N26 PolarHBondContact O-N 2.89Å; D22-K76 IonicContact OD2-NZ 2.85Å; D22-K76 PolarHBondContact OD2-NZ 3.13Å
23T75.1Confident67.7Low72 Ų7251.4 Ų51.444%0.44227%0.271SS..Hα-helixtrans-56.1-42.3-178.2-56.40000112.2D21 N26 R27D21-T23 PolarHBondContact O-N 3.36Å; D21-T23 WeakPolarHBondContact OD1-CB 3.46Å; D21-T23 PolarHBondContact OD1-N 3.25Å; D21-T23 VanDerWaalsContact OD1-N 3.1Å; D21-T23 PolarHBondContact OD1-OG1 3.45Å; T23-N26 PolarHBondContact O-N 3.26Å; T23-R27 VanDerWaalsContact O-CG 3.24Å; T23-R27 WeakPolarHBondContact O-CG 3.28Å; T23-R27 PolarHBondContact O-N 3.06Å
24L76Confident68.4Low28 Ų2847.5 Ų47.515%0.14725%0.251CS..Hα-helixtrans-65.9-41.3-179.8-64.4-179.7000112.3D22 R27 L28 L680 D683 I684D22-L24 VanDerWaalsContact C-N 3.31Å; D22-L24 PolarHBondContact O-N 2.97Å; L24-R27 VanDerWaalsContact CD2-NH1 3.34Å; L24-R27 WeakPolarHBondContact O-CB 3.29Å; L24-R27 PolarHBondContact O-N 3.34Å; L24-L28 PolarHBondContact O-N 3.32Å; L24-L680 HydrophobicContact CB-CD1 4.48Å; L24-L680 HydrophobicContact CD2-CD1 4.14Å; L24-D683 HydrophobicContact CD1-CB 4.47Å; L24-I684 HydrophobicContact CB-CG1 3.89Å
25I77.6Confident69.1Low1 Ų147.9 Ų47.91%0.00525%0.249CC..Hα-helixtrans-73.7-33.6179.6-59.1-60.3000111.4D22 L28 C29 I73 K76 I684D22-I25 PolarHBondContact O-N 2.94Å; I25-L28 WeakPolarHBondContact O-CB 3.49Å; I25-L28 PolarHBondContact O-N 3.19Å; I25-L28 VanDerWaalsContact O-N 3.17Å; I25-C29 PolarHBondContact O-N 2.72Å; I25-C29 PolarHBondContact O-SG 2.98Å; I25-I73 HydrophobicContact CD1-CG2 3.74Å; I25-I73 HydrophobicContact CG1-CG1 4.27Å; I25-I73 HydrophobicContact CG1-CG2 3.98Å; I25-K76 HydrophobicContact CB-CD 4.45Å; I25-K76 HydrophobicContact CG2-CB 3.43Å; I25-K76 VanDerWaalsContact CG2-CB 3.43Å; I25-K76 HydrophobicContact CG2-CD 3.75Å; I25-K76 HydrophobicContact CG2-CG 4.17Å; I25-I684 HydrophobicContact CD1-CD1 3.7Å; I25-I684 HydrophobicContact CD1-CG1 3.9Å; I25-I684 HydrophobicContact CD1-CG2 3.78Å
26N78.9Confident70Confident21 Ų2142.5 Ų42.511%0.11223%0.227CC..Hα-helixtrans-65.9-38.9172.5-72.9-13.6000111.6D22 T23 L28 C29 L30 K76 E117D22-N26 WeakPolarHBondContact O-CB 3.38Å; D22-N26 PolarHBondContact O-N 2.89Å; T23-N26 PolarHBondContact O-N 3.26Å; N26-L28 VanDerWaalsContact C-N 3.28Å; N26-L28 PolarHBondContact O-N 2.94Å; N26-C29 PolarHBondContact O-N 3.09Å; N26-L30 PolarHBondContact O-N 3.25Å; N26-K76 PolarHBondContact OD1-NZ 3.38Å; N26-K76 VanDerWaalsContact OD1-NZ 3.1Å; N26-E117 PolarHBondContact ND2-OE1 2.92Å; N26-E117 PolarHBondContact OD1-OE1 2.95Å
27R81.7Confident70.7Confident79 Ų7949.5 Ų49.530%0.29826%0.26SS..Hα-helixtrans-61.7-36.6170-71.2164.965.5-163.4-5.6111.5T23 L24 L30 S31 E675 L680T23-R27 VanDerWaalsContact O-CG 3.24Å; T23-R27 WeakPolarHBondContact O-CG 3.28Å; T23-R27 PolarHBondContact O-N 3.06Å; L24-R27 VanDerWaalsContact CD2-NH1 3.34Å; L24-R27 WeakPolarHBondContact O-CB 3.29Å; L24-R27 PolarHBondContact O-N 3.34Å; R27-L30 PolarHBondContact O-N 3.19Å; R27-S31 WeakPolarHBondContact O-CB 3.48Å; R27-S31 PolarHBondContact O-N 2.62Å; R27-S31 PolarHBondContact O-OG 2.7Å; R27-E675 IonicContact CZ-OE1 3.99Å; R27-E675 IonicContact CZ-OE2 2.65Å; R27-E675 IonicContact NE-OE1 3.81Å; R27-E675 PolarHBondContact NE-OE1 3.4Å; R27-E675 IonicContact NE-OE2 2.78Å; R27-E675 PolarHBondContact NE-OE2 2.95Å; R27-E675 IonicContact NH2-OE1 3.45Å; R27-E675 PolarHBondContact NH2-OE1 2.99Å; R27-E675 IonicContact NH2-OE2 3.54Å; R27-E675 PolarHBondContact NH2-OE2 3.39Å; R27-L680 HydrophobicContact CB-CD1 4.16Å; R27-L680 HydrophobicContact CB-CD2 4.06Å
28L81.6Confident71.7Confident4 Ų448.2 Ų48.22%0.02125%0.245CC..Hα-helixtrans-64.8-45.7175.4-176.270000110.8I11 L24 I25 N26 L30 S31 V32 I677 L680 L681 I684I11-L28 HydrophobicContact CD1-CD2 4.47Å; L24-L28 PolarHBondContact O-N 3.32Å; I25-L28 WeakPolarHBondContact O-CB 3.49Å; I25-L28 PolarHBondContact O-N 3.19Å; I25-L28 VanDerWaalsContact O-N 3.17Å; N26-L28 VanDerWaalsContact C-N 3.28Å; N26-L28 PolarHBondContact O-N 2.94Å; L28-L30 PolarHBondContact O-N 2.96Å; L28-S31 PolarHBondContact O-N 2.76Å; L28-S31 VanDerWaalsContact O-N 3.08Å; L28-V32 HydrophobicContact CD1-CG2 3.6Å; L28-V32 HydrophobicContact CG-CG2 3.71Å; L28-V32 WeakPolarHBondContact O-CB 3.32Å; L28-V32 WeakPolarHBondContact O-CG2 3.47Å; L28-V32 PolarHBondContact O-N 2.79Å; L28-I677 HydrophobicContact CD1-CD1 4.21Å; L28-I677 HydrophobicContact CD1-CG1 4.27Å; L28-L680 HydrophobicContact CB-CD2 4.03Å; L28-L680 HydrophobicContact CD1-CD2 4.18Å; L28-L681 HydrophobicContact CD1-CD2 3.93Å; L28-L681 HydrophobicContact CD1-CG 4.4Å; L28-L681 HydrophobicContact CD2-CD2 4.4Å; L28-I684 HydrophobicContact CB-CD1 4.15Å; L28-I684 HydrophobicContact CD2-CD1 4.02Å; L28-I684 HydrophobicContact CG-CD1 4.45Å
29C82Confident73.3Confident0 Ų046 Ų460%022%0.223CC..Hα-helixtrans-56.3-39.4176.9-65.50000112.3I25 N26 V33 H121I25-C29 PolarHBondContact O-N 2.72Å; I25-C29 PolarHBondContact O-SG 2.98Å; N26-C29 PolarHBondContact O-N 3.09Å; C29-V33 WeakPolarHBondContact O-CG2 3.35Å; C29-H121 HydrophobicContact CB-CB 3.87Å
30L78.9Confident74.5Confident50 Ų5037.2 Ų37.226%0.26219%0.187SC..Hα-helixtrans-68.4-42.6175.9-70.8169.2000112.4N26 R27 L28 C34 H121 S125N26-L30 PolarHBondContact O-N 3.25Å; R27-L30 PolarHBondContact O-N 3.19Å; L28-L30 PolarHBondContact O-N 2.96Å; L30-C34 PolarHBondContact O-N 3.27Å; L30-H121 HydrophobicContact CD2-CB 4.49Å; L30-S125 WeakPolarHBondContact CD2-OG 3.28Å; L30-S125 PolarHBondContact O-OG 3.41Å; L30-S125 VanDerWaalsContact O-OG 3.13Å
31S80.5Confident75.3Confident0 Ų040.4 Ų40.40%020%0.204CC..Hα-helixtrans-78.2-38.2-172-55.60000113.3R27 L28 V33 C34 E675R27-S31 WeakPolarHBondContact O-CB 3.48Å; R27-S31 PolarHBondContact O-N 2.62Å; R27-S31 PolarHBondContact O-OG 2.7Å; L28-S31 PolarHBondContact O-N 2.76Å; L28-S31 VanDerWaalsContact O-N 3.08Å; S31-V33 VanDerWaalsContact C-N 3.27Å; S31-V33 PolarHBondContact O-N 3.02Å; S31-C34 VanDerWaalsContact O-CB 3.32Å; S31-C34 WeakPolarHBondContact O-CB 3.41Å; S31-C34 PolarHBondContact O-N 3.03Å; S31-E675 WeakPolarHBondContact OG-CB 3.18Å; S31-E675 WeakPolarHBondContact OG-CG 3.33Å
32V80.7Confident76.1Confident0 Ų037.5 Ų37.50%019%0.187CC..Hα-helixtrans-60.7-40.2178.4169.80000110.5L28 C34 W43 S80 L81 R84 I677L28-V32 HydrophobicContact CD1-CG2 3.6Å; L28-V32 HydrophobicContact CG-CG2 3.71Å; L28-V32 WeakPolarHBondContact O-CB 3.32Å; L28-V32 WeakPolarHBondContact O-CG2 3.47Å; L28-V32 PolarHBondContact O-N 2.79Å; V32-C34 VanDerWaalsContact C-N 3.35Å; V32-W43 HydrophobicContact CB-CZ2 4.49Å; V32-W43 HydrophobicContact CG1-CZ2 4.44Å; V32-W43 HydrophobicContact CG2-CH2 4.4Å; V32-W43 HydrophobicContact CG2-CZ2 3.81Å; V32-S80 VanDerWaalsContact CG1-O 3.27Å; V32-S80 WeakPolarHBondContact CG1-O 3.27Å; V32-L81 HydrophobicContact CG1-CD2 4.27Å; V32-R84 HydrophobicContact CG1-CB 3.51Å; V32-R84 HydrophobicContact CG1-CG 4.2Å; V32-R84 WeakPolarHBondContact O-CD 3.33Å; V32-I677 HydrophobicContact CG2-CD1 3.94Å
33V77.4Confident76.5Confident8 Ų835.3 Ų35.35%0.04818%0.175CC..Hα-helixtrans-82.9-14.8-179.2-174.80000112.4C29 S31 Q35 F83 C122 L126C29-V33 WeakPolarHBondContact O-CG2 3.35Å; S31-V33 VanDerWaalsContact C-N 3.27Å; S31-V33 PolarHBondContact O-N 3.02Å; V33-Q35 PolarHBondContact O-N 2.85Å; V33-Q35 VanDerWaalsContact O-N 3.08Å; V33-F83 HydrophobicContact CG2-CB 3.81Å; V33-F83 HydrophobicContact CG2-CG 4.23Å; V33-C122 WeakPolarHBondContact CG1-O 3.45Å; V33-C122 HydrophobicContact CG2-CB 3.82Å; V33-L126 HydrophobicContact CG1-CD2 3.64Å
34C79.3Confident76.3Confident9 Ų935.1 Ų35.16%0.06118%0.176CC..  trans-62.2115.6179.1-171.30000110.9L30 S31 V32 H36 C673L30-C34 PolarHBondContact O-N 3.27Å; S31-C34 VanDerWaalsContact O-CB 3.32Å; S31-C34 WeakPolarHBondContact O-CB 3.41Å; S31-C34 PolarHBondContact O-N 3.03Å; V32-C34 VanDerWaalsContact C-N 3.35Å; C34-H36 VanDerWaalsContact C-N 3.25Å; C34-H36 PolarHBondContact O-N 2.83Å; C34-C673 HydrophobicContact CB-CB 4.48Å
35Q71.8Confident76.1Confident26 Ų2638.9 Ų38.912%0.12120%0.201CC..  trans-85.513.4-179.1-64.5178.47.800113.7V33 T40 Y87 D131V33-Q35 PolarHBondContact O-N 2.85Å; V33-Q35 VanDerWaalsContact O-N 3.08Å; Q35-T40 PolarHBondContact O-OG1 3.45Å; Q35-Y87 HydrophobicContact CG-CD2 4.42Å; Q35-Y87 HydrophobicContact CG-CE2 4Å; Q35-D131 PolarHBondContact NE2-OD2 2.66Å
36H72.6Confident75.9Confident57 Ų5739.4 Ų39.426%0.26420%0.203SC..SBendtrans-61143.1173.5-168.9-87000109.7C34 F38 H39 T40 P671C34-H36 VanDerWaalsContact C-N 3.25Å; C34-H36 PolarHBondContact O-N 2.83Å; H36-F38 WeakPolarHBondContact ND1-CB 3.23Å; H36-F38 PolarHBondContact ND1-N 2.84Å; H36-F38 VanDerWaalsContact ND1-N 3.19Å; H36-F38 PolarHBondContact O-N 3.26Å; H36-F38 VanDerWaalsContact O-N 3.09Å; H36-H39 PolarHBondContact O-N 2.88Å; H36-T40 PolarHBondContact O-N 3.44Å; H36-T40 PolarHBondContact O-OG1 3.11Å; H36-P671 WeakPolarHBondContact NE2-CG 3.24Å
37E70.1Confident75.5Confident151 Ų15141.3 Ų41.371%0.70622%0.217SC*.Hα-helixtrans-50.8-39.8-178.4-79.5-179.8159.400111.6H39 T40 D41E37-H39 VanDerWaalsContact C-N 3.3Å; E37-H39 PolarHBondContact O-N 3.38Å; E37-H39 VanDerWaalsContact O-N 3.15Å; E37-T40 WeakPolarHBondContact O-CA 3.24Å; E37-T40 PolarHBondContact O-N 3.38Å; E37-D41 PolarHBondContact O-N 2.98Å
38F69.3Low75.1Confident63 Ų6342.4 Ų42.428%0.27623%0.227SC..Hα-helixtrans-45.8-45174.8-169.9-96.6000115.1H36 N668 C670H36-F38 WeakPolarHBondContact ND1-CB 3.23Å; H36-F38 PolarHBondContact ND1-N 2.84Å; H36-F38 VanDerWaalsContact ND1-N 3.19Å; H36-F38 PolarHBondContact O-N 3.26Å; H36-F38 VanDerWaalsContact O-N 3.09Å; F38-N668 HydrophobicContact CD2-CB 4.26Å; F38-N668 VanDerWaalsContact CE1-O 3.25Å; F38-N668 WeakPolarHBondContact CE1-O 3.36Å; F38-N668 HydrophobicContact CE2-CB 3.56Å; F38-N668 VanDerWaalsContact CE2-O 3.25Å; F38-N668 WeakPolarHBondContact CE2-O 3.29Å; F38-N668 HydrophobicContact CZ-CB 4.16Å; F38-N668 WeakPolarHBondContact CZ-O 3.19Å; F38-C670 HydrophobicContact CD1-CB 3.97Å
39H77.8Confident74.5Confident0 Ų046.2 Ų46.20%025%0.254CS..Hα-helixtrans-87.9-29.2175.3-61.7-58.8000111.9H36 E37 D41 F42 W43 C670 C673 E675H36-H39 PolarHBondContact O-N 2.88Å; E37-H39 VanDerWaalsContact C-N 3.3Å; E37-H39 PolarHBondContact O-N 3.38Å; E37-H39 VanDerWaalsContact O-N 3.15Å; H39-D41 VanDerWaalsContact C-N 3.27Å; H39-D41 PolarHBondContact O-N 3.23Å; H39-F42 WeakPolarHBondContact O-CB 3.33Å; H39-F42 PolarHBondContact O-N 2.99Å; H39-W43 PolarHBondContact O-N 3.34Å; H39-W43 VanDerWaalsContact O-N 3.1Å; H39-C670 WeakPolarHBondContact NE2-CB 3.35Å; H39-C670 PolarHBondContact NE2-SG 2.71Å; H39-C670 VanDerWaalsContact NE2-SG 3.45Å; H39-C673 PolarHBondContact NE2-SG 3.25Å; H39-E675 PolarHBondContact CE1-O 3.31Å
40T72.4Confident74.1Confident30 Ų3047.3 Ų47.318%0.18426%0.259CS..Hα-helixtrans-62-39.6-178-60.90000111.8Q35 H36 E37 W43 S44 R84Q35-T40 PolarHBondContact O-OG1 3.45Å; H36-T40 PolarHBondContact O-N 3.44Å; H36-T40 PolarHBondContact O-OG1 3.11Å; E37-T40 WeakPolarHBondContact O-CA 3.24Å; E37-T40 PolarHBondContact O-N 3.38Å; T40-W43 PolarHBondContact O-N 2.97Å; T40-S44 VanDerWaalsContact O-CB 3.22Å; T40-S44 WeakPolarHBondContact O-CB 3.46Å; T40-S44 PolarHBondContact O-N 3.48Å; T40-S44 PolarHBondContact O-OG 3.33Å; T40-R84 VanDerWaalsContact CA-NH2 3.32Å
41D70.4Confident73.7Confident99 Ų9945 Ų4553%0.52925%0.247SC..Hα-helixtrans-64.9-42.7175.6-66.3-14.9000111.8E37 H39 W43 S44 T45E37-D41 PolarHBondContact O-N 2.98Å; H39-D41 VanDerWaalsContact C-N 3.27Å; H39-D41 PolarHBondContact O-N 3.23Å; D41-W43 PolarHBondContact O-N 3.45Å; D41-S44 WeakPolarHBondContact CA-OG 3.36Å; D41-S44 PolarHBondContact O-OG 3.38Å; D41-T45 WeakPolarHBondContact O-CB 3.42Å; D41-T45 WeakPolarHBondContact O-CG2 3.49Å; D41-T45 PolarHBondContact O-N 3.39Å; D41-T45 VanDerWaalsContact O-N 3.1Å; D41-T45 PolarHBondContact O-OG1 2.88Å
42F75.9Confident73.3Confident42 Ų4250.4 Ų50.418%0.18427%0.272CS..Hα-helixtrans-58-47.1176.9174.6-90.4000111.9P4 H39 T45 L46 I677 L681P4-F42 HydrophobicContact CB-CE2 3.8Å; P4-F42 HydrophobicContact CB-CZ 3.61Å; P4-F42 HydrophobicContact CG-CE2 4.05Å; P4-F42 HydrophobicContact CG-CZ 4.36Å; H39-F42 WeakPolarHBondContact O-CB 3.33Å; H39-F42 PolarHBondContact O-N 2.99Å; F42-T45 PolarHBondContact O-OG1 3.38Å; F42-L46 HydrophobicContact CE1-CD1 4.14Å; F42-I677 HydrophobicContact CB-CG2 4.1Å; F42-I677 HydrophobicContact CD1-CG2 3.4Å; F42-I677 VanDerWaalsContact CD1-CG2 3.4Å; F42-I677 HydrophobicContact CD2-CG2 3.8Å; F42-I677 HydrophobicContact CE1-CG2 3.63Å; F42-I677 HydrophobicContact CE2-CG2 4Å; F42-I677 HydrophobicContact CG-CG2 3.48Å; F42-I677 VanDerWaalsContact CG-CG2 3.48Å; F42-I677 HydrophobicContact CZ-CG2 3.91Å; F42-L681 HydrophobicContact CE1-CD1 4.32Å; F42-L681 HydrophobicContact CZ-CD1 3.94Å
43W76.1Confident72.8Confident1 Ų153.2 Ų53.20%0.00429%0.287CS..Hα-helixtrans-80.4-30.3-175.6-67112.3000114.1I8 V32 H39 T40 D41 T45 L46 W51 L81 R84 I88 I677I8-W43 HydrophobicContact CD1-CE3 4.48Å; I8-W43 HydrophobicContact CD1-CH2 3.59Å; I8-W43 HydrophobicContact CD1-CZ3 3.39Å; I8-W43 HydrophobicContact CG1-CH2 4.38Å; V32-W43 HydrophobicContact CB-CZ2 4.49Å; V32-W43 HydrophobicContact CG1-CZ2 4.44Å; V32-W43 HydrophobicContact CG2-CH2 4.4Å; V32-W43 HydrophobicContact CG2-CZ2 3.81Å; H39-W43 PolarHBondContact O-N 3.34Å; H39-W43 VanDerWaalsContact O-N 3.1Å; T40-W43 PolarHBondContact O-N 2.97Å; D41-W43 PolarHBondContact O-N 3.45Å; W43-T45 VanDerWaalsContact C-N 3.34Å; W43-L46 HydrophobicContact CE3-CD1 3.57Å; W43-L46 HydrophobicContact CZ3-CD1 3.89Å; W43-W51 HydrophobicContact CD2-CZ2 4.47Å; W43-W51 AromaticContact CE3-CH2 3.8Å; W43-W51 HydrophobicContact CE3-CH2 3.8Å; W43-W51 AromaticContact CE3-CZ2 3.56Å; W43-W51 HydrophobicContact CE3-CZ2 3.56Å; W43-W51 AromaticContact CZ3-CH2 3.97Å; W43-W51 HydrophobicContact CZ3-CH2 3.97Å; W43-W51 HydrophobicContact CZ3-CZ2 4.11Å; W43-L81 HydrophobicContact CH2-CD2 3.76Å; W43-L81 HydrophobicContact CZ3-CD2 3.94Å; W43-R84 HydrophobicContact CB-CG 4.34Å; W43-R84 HydrophobicContact CD2-CG 3.97Å; W43-R84 HydrophobicContact CE3-CG 4.38Å; W43-R84 HydrophobicContact CG-CG 3.93Å; W43-I88 HydrophobicContact CB-CD1 3.84Å; W43-I677 HydrophobicContact CZ2-CD1 3.52Å; W43-I677 HydrophobicContact CZ2-CG1 3.87Å
44S71.5Confident72.3Confident69 Ų6952.9 Ų52.948%0.48329%0.285SS..Hα-helixtrans-77.3-22.7178.758.10000112.8T40 D41 L46T40-S44 VanDerWaalsContact O-CB 3.22Å; T40-S44 WeakPolarHBondContact O-CB 3.46Å; T40-S44 PolarHBondContact O-N 3.48Å; T40-S44 PolarHBondContact O-OG 3.33Å; D41-S44 WeakPolarHBondContact CA-OG 3.36Å; D41-S44 PolarHBondContact O-OG 3.38Å; S44-L46 VanDerWaalsContact C-N 3.33Å
45T72.3Confident71.8Confident107 Ų10753.3 Ų53.366%0.65629%0.288SS*.SBendtrans-82.5-11.8175.653.20000113.1D41 F42 W43 P47D41-T45 WeakPolarHBondContact O-CB 3.42Å; D41-T45 WeakPolarHBondContact O-CG2 3.49Å; D41-T45 PolarHBondContact O-N 3.39Å; D41-T45 VanDerWaalsContact O-N 3.1Å; D41-T45 PolarHBondContact O-OG1 2.88Å; F42-T45 PolarHBondContact O-OG1 3.38Å; W43-T45 VanDerWaalsContact C-N 3.34Å; T45-P47 WeakPolarHBondContact O-CD 3.33Å
46L72.2Confident71.6Confident12 Ų1257.7 Ų57.76%0.06331%0.307CS..SBendtrans-66.6122.9174.4-89.4161.6000110.9P4 I8 F42 W43 S44 E50P4-L46 HydrophobicContact CB-CD2 4.18Å; I8-L46 HydrophobicContact CD1-CD1 4.14Å; F42-L46 HydrophobicContact CE1-CD1 4.14Å; W43-L46 HydrophobicContact CE3-CD1 3.57Å; W43-L46 HydrophobicContact CZ3-CD1 3.89Å; S44-L46 VanDerWaalsContact C-N 3.33Å; L46-E50 HydrophobicContact CD2-CB 4.1Å; L46-E50 WeakPolarHBondContact CD2-OE2 3.41Å
47P71.3Confident71.2Confident60 Ų6056.1 Ų56.139%0.3930%0.299SS..  trans-57142.6176-2433.3000111.9T45 S49 E50 W51T45-P47 WeakPolarHBondContact O-CD 3.33Å; P47-S49 WeakPolarHBondContact CB-OG 3.22Å; P47-S49 PolarHBondContact O-N 3.49Å; P47-S49 VanDerWaalsContact O-N 3.09Å; P47-E50 HydrophobicContact CB-CG 4.44Å; P47-E50 HydrophobicContact CG-CG 4.44Å; P47-E50 WeakPolarHBondContact O-CB 3.05Å; P47-E50 PolarHBondContact O-N 2.76Å; P47-W51 PolarHBondContact O-N 3.47Å
48I72.6Confident70.9Confident102 Ų10249 Ų4952%0.52327%0.266SS..Hα-helixtrans-54.3-33175.3-68.8167.3000111.6E50 W51 H52 F89I48-E50 PolarHBondContact O-N 3.27Å; I48-W51 WeakPolarHBondContact O-CB 3.5Å; I48-W51 PolarHBondContact O-N 3.14Å; I48-H52 WeakPolarHBondContact CG2-NE2 3.25Å; I48-H52 PolarHBondContact O-CD2 3.34Å; I48-H52 PolarHBondContact O-N 3.08Å; I48-F89 HydrophobicContact CG1-CE1 4.1Å; I48-F89 HydrophobicContact CG1-CZ 4.36Å
49S70.5Confident70.5Confident84 Ų8448.6 Ų48.659%0.58727%0.272SS*.Hα-helixtrans-60.4-31.8174.853.30000113.5P47 L53P47-S49 WeakPolarHBondContact CB-OG 3.22Å; P47-S49 PolarHBondContact O-N 3.49Å; P47-S49 VanDerWaalsContact O-N 3.09Å; S49-L53 PolarHBondContact O-N 3.21Å
50E71.9Confident69.7Low23 Ų2355.3 Ų55.311%0.10730%0.297CS..Hα-helixtrans-76.1-36.7176.5-70.4-174.2-146.100111.6I3 G5 L46 P47 I48 L53 M54I3-E50 WeakPolarHBondContact CG2-OE1 3.48Å; G5-E50 WeakPolarHBondContact CA-OE2 3.4Å; G5-E50 PolarHBondContact N-OE2 3.04Å; L46-E50 HydrophobicContact CD2-CB 4.1Å; L46-E50 WeakPolarHBondContact CD2-OE2 3.41Å; P47-E50 HydrophobicContact CB-CG 4.44Å; P47-E50 HydrophobicContact CG-CG 4.44Å; P47-E50 WeakPolarHBondContact O-CB 3.05Å; P47-E50 PolarHBondContact O-N 2.76Å; I48-E50 PolarHBondContact O-N 3.27Å; E50-L53 WeakPolarHBondContact O-CB 3.24Å; E50-L53 PolarHBondContact O-N 2.79Å; E50-M54 WeakPolarHBondContact O-CG 3.49Å; E50-M54 PolarHBondContact O-N 3.35Å
51W71.3Confident69.1Low2 Ų256.5 Ų56.51%0.00830%0.298CS..Hα-helixtrans-62.3-43.9169.6-78.1105000112.1W43 P47 I48 L53 M54 S55 L81 R84 Y85 I88 F89W43-W51 HydrophobicContact CD2-CZ2 4.47Å; W43-W51 AromaticContact CE3-CH2 3.8Å; W43-W51 HydrophobicContact CE3-CH2 3.8Å; W43-W51 AromaticContact CE3-CZ2 3.56Å; W43-W51 HydrophobicContact CE3-CZ2 3.56Å; W43-W51 AromaticContact CZ3-CH2 3.97Å; W43-W51 HydrophobicContact CZ3-CH2 3.97Å; W43-W51 HydrophobicContact CZ3-CZ2 4.11Å; P47-W51 PolarHBondContact O-N 3.47Å; I48-W51 WeakPolarHBondContact O-CB 3.5Å; I48-W51 PolarHBondContact O-N 3.14Å; W51-L53 VanDerWaalsContact C-N 3.26Å; W51-L53 PolarHBondContact O-N 3.47Å; W51-M54 HydrophobicContact CE3-CE 3.7Å; W51-M54 HydrophobicContact CE3-SD 4.11Å; W51-M54 HydrophobicContact CH2-CE 4.27Å; W51-M54 HydrophobicContact CZ3-CE 3.51Å; W51-M54 HydrophobicContact CZ3-SD 4.4Å; W51-M54 PolarHBondContact O-N 2.95Å; W51-S55 WeakPolarHBondContact O-CB 3.27Å; W51-S55 PolarHBondContact O-N 2.85Å; W51-L81 HydrophobicContact CH2-CD2 4.27Å; W51-L81 HydrophobicContact CZ3-CD2 4.28Å; W51-R84 HydrophobicContact CH2-CB 4.43Å; W51-R84 HydrophobicContact CH2-CG 4.06Å; W51-R84 HydrophobicContact CZ2-CG 4.4Å; W51-Y85 HydrophobicContact CB-CE2 4.43Å; W51-Y85 HydrophobicContact CD2-CD2 4.22Å; W51-Y85 AromaticContact CE3-CD2 3.68Å; W51-Y85 HydrophobicContact CE3-CD2 3.68Å; W51-Y85 HydrophobicContact CE3-CE2 4.33Å; W51-Y85 HydrophobicContact CZ3-CD2 4.05Å; W51-I88 HydrophobicContact CH2-CD1 4.45Å; W51-I88 HydrophobicContact CZ2-CD1 3.66Å; W51-F89 HydrophobicContact CB-CE2 4.49Å; W51-F89 AromaticContact CD1-CE2 3.67Å; W51-F89 AromaticContact CD1-CZ 3.67Å; W51-F89 AromaticContact CD2-CE2 3.93Å; W51-F89 HydrophobicContact CD2-CE2 3.93Å; W51-F89 AromaticContact CE2-CE2 3.87Å; W51-F89 AromaticContact CG-CE2 3.79Å; W51-F89 HydrophobicContact CG-CE2 3.79Å; W51-F89 HydrophobicContact CG-CZ 4.16Å; W51-F89 AromaticContact NE1-CE2 3.7Å; W51-F89 AromaticContact NE1-CZ 3.87Å
52H71.9Confident68.4Low113 Ų11356.7 Ų56.752%0.52330%0.299SS..Hα-helixtrans-62.5-34.4173.3-73.7-42.2000112.6I48 K56I48-H52 WeakPolarHBondContact CG2-NE2 3.25Å; I48-H52 PolarHBondContact O-CD2 3.34Å; I48-H52 PolarHBondContact O-N 3.08Å; H52-K56 WeakPolarHBondContact O-CB 3.37Å; H52-K56 PolarHBondContact O-N 2.89Å
53L69.7Low67.1Low60 Ų6059.8 Ų59.831%0.31432%0.317SS..Hα-helixtrans-62.1-53.1173.1-17274.9000109.8A9 S49 E50 W51 S55 K56 H57A9-L53 HydrophobicContact CB-CD2 3.83Å; A9-L53 HydrophobicContact CB-CG 4.07Å; S49-L53 PolarHBondContact O-N 3.21Å; E50-L53 WeakPolarHBondContact O-CB 3.24Å; E50-L53 PolarHBondContact O-N 2.79Å; W51-L53 VanDerWaalsContact C-N 3.26Å; W51-L53 PolarHBondContact O-N 3.47Å; L53-S55 VanDerWaalsContact C-N 3.35Å; L53-S55 PolarHBondContact O-N 3.18Å; L53-K56 PolarHBondContact O-N 3.03Å; L53-H57 PolarHBondContact O-CD2 3.42Å; L53-H57 PolarHBondContact O-N 2.87Å
54M68.5Low65.8Low1 Ų166.7 Ų66.71%0.00535%0.354CS..Hα-helixtrans-54.9-49177.5-67.716647.900112.1I8 A9 E50 W51 K56 H57 A58 L81I8-M54 HydrophobicContact CB-CE 4.24Å; I8-M54 HydrophobicContact CB-CG 4.21Å; I8-M54 HydrophobicContact CB-SD 3.84Å; I8-M54 HydrophobicContact CD1-SD 4.07Å; I8-M54 HydrophobicContact CG2-CE 3.32Å; I8-M54 HydrophobicContact CG2-CG 3.97Å; I8-M54 HydrophobicContact CG2-SD 3.59Å; I8-M54 VanDerWaalsContact CG2-SD 3.59Å; A9-M54 HydrophobicContact CB-CG 4.32Å; E50-M54 WeakPolarHBondContact O-CG 3.49Å; E50-M54 PolarHBondContact O-N 3.35Å; W51-M54 HydrophobicContact CE3-CE 3.7Å; W51-M54 HydrophobicContact CE3-SD 4.11Å; W51-M54 HydrophobicContact CH2-CE 4.27Å; W51-M54 HydrophobicContact CZ3-CE 3.51Å; W51-M54 HydrophobicContact CZ3-SD 4.4Å; W51-M54 PolarHBondContact O-N 2.95Å; M54-K56 PolarHBondContact O-N 3.34Å; M54-H57 PolarHBondContact O-N 3.26Å; M54-A58 WeakPolarHBondContact O-CB 3.18Å; M54-A58 PolarHBondContact O-N 3.26Å; M54-L81 HydrophobicContact CE-CD1 3.56Å; M54-L81 HydrophobicContact CE-CD2 3.75Å; M54-L81 HydrophobicContact CE-CG 4.19Å
55S67Low64.9Low18 Ų1866.6 Ų66.613%0.12635%0.352CS..Hα-helixtrans-60.6-42.3178.3-175.20000112.1W51 L53 A58 S59 D93 G95W51-S55 WeakPolarHBondContact O-CB 3.27Å; W51-S55 PolarHBondContact O-N 2.85Å; L53-S55 VanDerWaalsContact C-N 3.35Å; L53-S55 PolarHBondContact O-N 3.18Å; S55-A58 PolarHBondContact O-N 3Å; S55-S59 WeakPolarHBondContact O-CB 3.44Å; S55-S59 PolarHBondContact O-N 3.04Å; S55-S59 PolarHBondContact O-OG 3.39Å; S55-D93 VanDerWaalsContact CB-OD1 3.28Å; S55-D93 WeakPolarHBondContact CB-OD1 3.37Å; S55-D93 PolarHBondContact OG-OD1 2.93Å; S55-G95 WeakPolarHBondContact OG-CA 3.3Å; S55-G95 PolarHBondContact OG-N 3.06Å
56K68.4Low64Low118 Ų11868.5 Ų68.551%0.51336%0.358SS..Hα-helixtrans-66.5-37.6176.1-178.6-179.4-179.8-179.90112.7H52 L53 M54 S59 R60H52-K56 WeakPolarHBondContact O-CB 3.37Å; H52-K56 PolarHBondContact O-N 2.89Å; L53-K56 PolarHBondContact O-N 3.03Å; M54-K56 PolarHBondContact O-N 3.34Å; K56-S59 WeakPolarHBondContact CA-OG 3.44Å; K56-S59 PolarHBondContact O-N 3.18Å; K56-S59 PolarHBondContact O-OG 2.85Å; K56-R60 WeakPolarHBondContact O-CG 3.47Å; K56-R60 PolarHBondContact O-N 3.45Å
57H65Low63.2Low23 Ų2370.6 Ų70.611%0.10637%0.366CS..Hα-helixtrans-69.4-43.2176.2-83.6-94.8000110.6F12 D13 L53 M54 S59 R60F12-H57 HydrophobicContact CB-CB 4.01Å; D13-H57 IonicContact OD1-CE1 2.92Å; D13-H57 IonicContact OD1-CG 2.81Å; D13-H57 IonicContact OD1-ND1 3.22Å; D13-H57 PolarHBondContact OD1-ND1 3.44Å; D13-H57 IonicContact OD2-CE1 2.64Å; D13-H57 PolarHBondContact OD2-CE1 3.26Å; D13-H57 IonicContact OD2-ND1 3.02Å; D13-H57 PolarHBondContact OD2-ND1 3.46Å; L53-H57 PolarHBondContact O-CD2 3.42Å; L53-H57 PolarHBondContact O-N 2.87Å; M54-H57 PolarHBondContact O-N 3.26Å; H57-S59 VanDerWaalsContact C-N 3.31Å; H57-S59 PolarHBondContact O-N 2.73Å; H57-R60 PolarHBondContact CE1-NH1 2.96Å; H57-R60 PolarHBondContact ND1-NH1 2.88Å; H57-R60 PolarHBondContact NE2-NH1 3.01Å; H57-R60 WeakPolarHBondContact O-CB 3.29Å; H57-R60 PolarHBondContact O-N 3.47Å
58A62.5Low62.8Low1 Ų170.3 Ų70.31%0.00836%0.363CS..Hα-helixtrans-58.6-40.4171.600000112.3F12 M54 S55 R60 W61 L96 V99F12-A58 HydrophobicContact CD1-CB 4.01Å; F12-A58 HydrophobicContact CE1-CB 3.96Å; F12-A58 HydrophobicContact CG-CB 4.46Å; F12-A58 HydrophobicContact CZ-CB 4.36Å; M54-A58 WeakPolarHBondContact O-CB 3.18Å; M54-A58 PolarHBondContact O-N 3.26Å; S55-A58 PolarHBondContact O-N 3Å; A58-R60 VanDerWaalsContact C-N 3.27Å; A58-R60 PolarHBondContact O-N 3.45Å; A58-W61 WeakPolarHBondContact O-CB 3.4Å; A58-W61 PolarHBondContact O-N 3.07Å; A58-L96 HydrophobicContact CB-CD2 3.97Å; A58-V99 HydrophobicContact CB-CG2 3.99Å
59S61Low62.3Low56 Ų5669.1 Ų69.139%0.39236%0.36SS..THydrogen-bonded Turntrans-73.4-12.9-179.774.40000114.6S55 K56 H57S55-S59 WeakPolarHBondContact O-CB 3.44Å; S55-S59 PolarHBondContact O-N 3.04Å; S55-S59 PolarHBondContact O-OG 3.39Å; K56-S59 WeakPolarHBondContact CA-OG 3.44Å; K56-S59 PolarHBondContact O-N 3.18Å; K56-S59 PolarHBondContact O-OG 2.85Å; H57-S59 VanDerWaalsContact C-N 3.31Å; H57-S59 PolarHBondContact O-N 2.73Å
60R61.7Low62Low141 Ų14167.7 Ų67.753%0.53235%0.345SS..THydrogen-bonded Turntrans-78.6-8.9173.6-76.1168.9175.6169-2.5112.5K56 H57 A58 D62K56-R60 WeakPolarHBondContact O-CG 3.47Å; K56-R60 PolarHBondContact O-N 3.45Å; H57-R60 PolarHBondContact CE1-NH1 2.96Å; H57-R60 PolarHBondContact ND1-NH1 2.88Å; H57-R60 PolarHBondContact NE2-NH1 3.01Å; H57-R60 WeakPolarHBondContact O-CB 3.29Å; H57-R60 PolarHBondContact O-N 3.47Å; A58-R60 VanDerWaalsContact C-N 3.27Å; A58-R60 PolarHBondContact O-N 3.45Å; R60-D62 PolarHBondContact O-N 3.49Å; R60-D62 VanDerWaalsContact O-N 3.14Å
61W59.9Low61.8Low55 Ų5567.2 Ų67.221%0.20834%0.342CS..  trans-73.6104.9-179.5-149.370.8000108.7A58 C65 L71 Y102A58-W61 WeakPolarHBondContact O-CB 3.4Å; A58-W61 PolarHBondContact O-N 3.07Å; W61-C65 HydrophobicContact CH2-CB 4.31Å; W61-C65 HydrophobicContact CZ2-CB 3.74Å; W61-L71 HydrophobicContact CD2-CD2 4.5Å; W61-L71 HydrophobicContact CH2-CD1 3.45Å; W61-L71 VanDerWaalsContact CH2-CD1 3.45Å; W61-L71 HydrophobicContact CH2-CD2 3.66Å; W61-L71 HydrophobicContact CH2-CG 4.04Å; W61-L71 HydrophobicContact CZ2-CD1 3.51Å; W61-L71 HydrophobicContact CZ2-CD2 2.92Å; W61-L71 HydrophobicContact CZ2-CG 3.75Å; W61-Y102 AromaticContact CE3-CD1 3.98Å; W61-Y102 HydrophobicContact CE3-CD1 3.98Å; W61-Y102 HydrophobicContact CE3-CE1 4.17Å; W61-Y102 HydrophobicContact CH2-CD1 4.47Å; W61-Y102 AromaticContact CH2-CE1 3.92Å; W61-Y102 HydrophobicContact CH2-CE1 3.92Å; W61-Y102 AromaticContact CZ3-CD1 3.51Å; W61-Y102 HydrophobicContact CZ3-CD1 3.51Å; W61-Y102 AromaticContact CZ3-CE1 3.38Å; W61-Y102 HydrophobicContact CZ3-CE1 3.38Å
62D54.8Low62Low102 Ų10268.7 Ų68.755%0.54535%0.349SS..  trans-90.1148.9-166.2-150.3-9000112.3R60 D64 C65R60-D62 PolarHBondContact O-N 3.49Å; R60-D62 VanDerWaalsContact O-N 3.14Å; D62-D64 PolarHBondContact O-N 3.11Å; D62-D64 VanDerWaalsContact O-N 3.08Å; D62-C65 PolarHBondContact O-N 2.92Å
63I49Very low62.2Low108 Ų10863.6 Ų63.655%0.55433%0.326SS*.THydrogen-bonded Turntrans-64.7-14.7-173-65.1159.9000112.3Y102I63-Y102 HydrophobicContact CB-CD2 4.34Å; I63-Y102 HydrophobicContact CB-CE2 3.9Å; I63-Y102 HydrophobicContact CG1-CD2 3.8Å; I63-Y102 HydrophobicContact CG1-CE2 3.88Å; I63-Y102 HydrophobicContact CG1-CG 4.34Å; I63-Y102 HydrophobicContact CG2-CD2 4.2Å; I63-Y102 HydrophobicContact CG2-CE2 3.51Å; I63-Y102 PolarHBondContact O-OH 2.82Å
64D48.8Very low62.5Low146 Ų14661.1 Ų61.178%0.78131%0.313SS*.THydrogen-bonded Turntrans-96.78.1-174.7-67.9-30.5000114.5D62D62-D64 PolarHBondContact O-N 3.11Å; D62-D64 VanDerWaalsContact O-N 3.08Å
65C52.3Low63.2Low66 Ų6661.3 Ų61.345%0.44631%0.314SS..  trans-81.7122.5175.1-770000112.3W61 D62W61-C65 HydrophobicContact CH2-CB 4.31Å; W61-C65 HydrophobicContact CZ2-CB 3.74Å; D62-C65 PolarHBondContact O-N 2.92Å
66D53.8Low64.1Low148 Ų14860.6 Ų60.679%0.79131%0.309SS*.  trans-55.7142.3169.2-84.8-31.2000111T68D66-T68 PolarHBondContact O-N 2.95Å
67Y56Low64.8Low55 Ų5555 Ų5522%0.21628%0.284CS..  trans-69.7105.2-172.5-172.2-102.1000112.5L71 H72 N110 V111 T114Y67-L71 VanDerWaalsContact CA-CD1 3.49Å; Y67-L71 HydrophobicContact CD2-CB 3.99Å; Y67-L71 HydrophobicContact CD2-CD1 3.53Å; Y67-L71 HydrophobicContact CD2-CG 4.38Å; Y67-L71 HydrophobicContact CE2-CB 3.79Å; Y67-L71 HydrophobicContact CE2-CD1 4.19Å; Y67-L71 HydrophobicContact CG-CD1 4.12Å; Y67-H72 AromaticContact CE1-CD2 3.57Å; Y67-H72 AromaticContact CE1-NE2 3.13Å; Y67-H72 WeakPolarHBondContact CE1-NE2 3.42Å; Y67-H72 AromaticContact CZ-CD2 3.23Å; Y67-H72 AromaticContact CZ-NE2 3.28Å; Y67-H72 VanDerWaalsContact CZ-NE2 3.28Å; Y67-H72 PolarHBondContact OH-CD2 3.49Å; Y67-H72 PolarHBondContact OH-NE2 3.27Å; Y67-N110 HydrophobicContact CE1-CB 3.69Å; Y67-N110 PolarHBondContact OH-O 3.02Å; Y67-V111 HydrophobicContact CD1-CG2 4.43Å; Y67-V111 HydrophobicContact CD2-CG2 3.42Å; Y67-V111 VanDerWaalsContact CD2-CG2 3.42Å; Y67-V111 HydrophobicContact CE1-CG2 4.13Å; Y67-V111 HydrophobicContact CE2-CB 4.16Å; Y67-V111 HydrophobicContact CE2-CG2 3.12Å; Y67-V111 HydrophobicContact CG-CG2 4.07Å; Y67-V111 VanDerWaalsContact CZ-CG2 3.44Å; Y67-V111 VanDerWaalsContact OH-CA 3.24Å; Y67-V111 WeakPolarHBondContact OH-CA 3.45Å; Y67-V111 PolarHBondContact OH-N 2.92Å; Y67-T114 PolarHBondContact OH-OG1 2.88Å
68T63.5Low65.7Low54 Ų5453.9 Ų53.933%0.33128%0.279SS..  trans-103.8164174.869.50000112.1D66 E70 L71D66-T68 PolarHBondContact O-N 2.95Å; T68-E70 PolarHBondContact O-N 3.09Å; T68-E70 WeakPolarHBondContact OG1-CB 3.45Å; T68-E70 PolarHBondContact OG1-OE2 3.45Å; T68-L71 VanDerWaalsContact O-CB 3.24Å; T68-L71 WeakPolarHBondContact O-CB 3.29Å; T68-L71 VanDerWaalsContact O-CG 3.31Å; T68-L71 WeakPolarHBondContact O-CG 3.33Å; T68-L71 PolarHBondContact O-N 2.9Å
69T61.8Low67Low77 Ų7753.8 Ų53.847%0.47228%0.279SS..THydrogen-bonded Turntrans-57-29.2174.8-16.10000112.6L71 H72T69-L71 PolarHBondContact O-N 3.22Å; T69-H72 VanDerWaalsContact O-CB 3.31Å; T69-H72 WeakPolarHBondContact O-CB 3.3Å; T69-H72 PolarHBondContact O-N 2.97Å
70E62.7Low68.2Low55 Ų5551.1 Ų51.126%0.25726%0.26SS..Hα-helixtrans-59.4-28.4177.7-58.8158.7137.500111.3F16 T68 H72 I73 I74F16-E70 HydrophobicContact CB-CG 3.94Å; F16-E70 HydrophobicContact CD2-CB 4.43Å; F16-E70 PolarHBondContact N-OE1 3.11Å; F16-E70 WeakPolarHBondContact O-CG 3.49Å; T68-E70 PolarHBondContact O-N 3.09Å; T68-E70 WeakPolarHBondContact OG1-CB 3.45Å; T68-E70 PolarHBondContact OG1-OE2 3.45Å; E70-H72 VanDerWaalsContact C-N 3.3Å; E70-H72 PolarHBondContact O-N 3.08Å; E70-I73 PolarHBondContact O-N 2.86Å; E70-I74 PolarHBondContact O-N 2.73Å
71L68.2Low69.2Low12 Ų1244.6 Ų44.66%0.06324%0.236CC..Hα-helixtrans-75.2-22.5-179.4-51.3-174000113.1W61 Y67 T68 T69 I73 I74 L75W61-L71 HydrophobicContact CD2-CD2 4.5Å; W61-L71 HydrophobicContact CH2-CD1 3.45Å; W61-L71 VanDerWaalsContact CH2-CD1 3.45Å; W61-L71 HydrophobicContact CH2-CD2 3.66Å; W61-L71 HydrophobicContact CH2-CG 4.04Å; W61-L71 HydrophobicContact CZ2-CD1 3.51Å; W61-L71 HydrophobicContact CZ2-CD2 2.92Å; W61-L71 HydrophobicContact CZ2-CG 3.75Å; Y67-L71 VanDerWaalsContact CA-CD1 3.49Å; Y67-L71 HydrophobicContact CD2-CB 3.99Å; Y67-L71 HydrophobicContact CD2-CD1 3.53Å; Y67-L71 HydrophobicContact CD2-CG 4.38Å; Y67-L71 HydrophobicContact CE2-CB 3.79Å; Y67-L71 HydrophobicContact CE2-CD1 4.19Å; Y67-L71 HydrophobicContact CG-CD1 4.12Å; T68-L71 VanDerWaalsContact O-CB 3.24Å; T68-L71 WeakPolarHBondContact O-CB 3.29Å; T68-L71 VanDerWaalsContact O-CG 3.31Å; T68-L71 WeakPolarHBondContact O-CG 3.33Å; T68-L71 PolarHBondContact O-N 2.9Å; T69-L71 PolarHBondContact O-N 3.22Å; L71-I73 VanDerWaalsContact C-N 3.29Å; L71-I74 HydrophobicContact CD2-CD1 4.18Å; L71-L75 VanDerWaalsContact O-CB 3.23Å; L71-L75 WeakPolarHBondContact O-CB 3.48Å; L71-L75 PolarHBondContact O-N 2.96Å
72H75.5Confident70.5Confident33 Ų3342 Ų4215%0.15323%0.226CC..Hα-helixtrans-60.8-47.9173.9-66.6-163.3000109.3Y67 T69 E70 L75 K76 T114Y67-H72 AromaticContact CE1-CD2 3.57Å; Y67-H72 AromaticContact CE1-NE2 3.13Å; Y67-H72 WeakPolarHBondContact CE1-NE2 3.42Å; Y67-H72 AromaticContact CZ-CD2 3.23Å; Y67-H72 AromaticContact CZ-NE2 3.28Å; Y67-H72 VanDerWaalsContact CZ-NE2 3.28Å; Y67-H72 PolarHBondContact OH-CD2 3.49Å; Y67-H72 PolarHBondContact OH-NE2 3.27Å; T69-H72 VanDerWaalsContact O-CB 3.31Å; T69-H72 WeakPolarHBondContact O-CB 3.3Å; T69-H72 PolarHBondContact O-N 2.97Å; E70-H72 VanDerWaalsContact C-N 3.3Å; E70-H72 PolarHBondContact O-N 3.08Å; H72-L75 PolarHBondContact O-N 2.94Å; H72-K76 VanDerWaalsContact O-CG 3.28Å; H72-K76 WeakPolarHBondContact O-CG 3.44Å; H72-K76 PolarHBondContact O-N 2.91Å; H72-T114 HydrophobicContact CB-CG2 3.9Å
73I75.4Confident71.9Confident6 Ų637.4 Ų37.43%0.03120%0.201CC..Hα-helixtrans-64.9-46.9-177.5-62168.3000110.5I11 F16 L20 I25 E70 L71 L75 K76 A77I11-I73 HydrophobicContact CG2-CG2 4.03Å; F16-I73 HydrophobicContact CB-CD1 3.92Å; F16-I73 HydrophobicContact CD1-CD1 3.45Å; F16-I73 VanDerWaalsContact CD1-CD1 3.45Å; F16-I73 HydrophobicContact CD2-CD1 3.78Å; F16-I73 HydrophobicContact CE1-CD1 3.75Å; F16-I73 HydrophobicContact CE1-CG2 4.2Å; F16-I73 HydrophobicContact CE2-CB 4.24Å; F16-I73 HydrophobicContact CE2-CD1 4.09Å; F16-I73 HydrophobicContact CE2-CG2 3.87Å; F16-I73 HydrophobicContact CG-CD1 3.46Å; F16-I73 VanDerWaalsContact CG-CD1 3.46Å; F16-I73 HydrophobicContact CZ-CB 4.43Å; F16-I73 HydrophobicContact CZ-CD1 4.08Å; F16-I73 HydrophobicContact CZ-CG2 3.66Å; L20-I73 HydrophobicContact CB-CD1 4.22Å; L20-I73 HydrophobicContact CD1-CD1 4.01Å; L20-I73 HydrophobicContact CD2-CD1 3.79Å; L20-I73 HydrophobicContact CG-CD1 4.22Å; I25-I73 HydrophobicContact CD1-CG2 3.74Å; I25-I73 HydrophobicContact CG1-CG1 4.27Å; I25-I73 HydrophobicContact CG1-CG2 3.98Å; E70-I73 PolarHBondContact O-N 2.86Å; L71-I73 VanDerWaalsContact C-N 3.29Å; I73-L75 VanDerWaalsContact C-N 3.3Å; I73-L75 PolarHBondContact O-N 3.31Å; I73-K76 PolarHBondContact O-N 2.7Å; I73-A77 VanDerWaalsContact O-CB 3.31Å; I73-A77 WeakPolarHBondContact O-CB 3.39Å; I73-A77 PolarHBondContact O-N 2.8Å
74I77.6Confident73.5Confident8 Ų832.4 Ų32.44%0.04118%0.175CC..Hα-helixtrans-58.4-44.8177.8-68.2172.9000110.6F12 E70 L71 A77 A78 V99F12-I74 HydrophobicContact CD1-CG2 3.97Å; F12-I74 HydrophobicContact CE1-CG2 4.26Å; E70-I74 PolarHBondContact O-N 2.73Å; L71-I74 HydrophobicContact CD2-CD1 4.18Å; I74-A77 PolarHBondContact O-N 3.26Å; I74-A78 VanDerWaalsContact O-CB 3.32Å; I74-A78 WeakPolarHBondContact O-CB 3.29Å; I74-A78 PolarHBondContact O-N 2.71Å; I74-V99 HydrophobicContact CG2-CG1 4.16Å
75L83.1Confident75Confident6 Ų626.9 Ų26.93%0.03114%0.143CC..Hα-helixtrans-66.3-46.1179.3-176.957000112.1L71 H72 I73 A77 A78 V79 V99 V100 A103 V111 T114 L115L71-L75 VanDerWaalsContact O-CB 3.23Å; L71-L75 WeakPolarHBondContact O-CB 3.48Å; L71-L75 PolarHBondContact O-N 2.96Å; H72-L75 PolarHBondContact O-N 2.94Å; I73-L75 VanDerWaalsContact C-N 3.3Å; I73-L75 PolarHBondContact O-N 3.31Å; L75-A77 VanDerWaalsContact C-N 3.33Å; L75-A77 PolarHBondContact O-N 3.25Å; L75-A78 PolarHBondContact O-N 3.33Å; L75-V79 HydrophobicContact CD1-CG2 4.42Å; L75-V79 WeakPolarHBondContact O-CG2 3.33Å; L75-V79 PolarHBondContact O-N 3.34Å; L75-V99 HydrophobicContact CD1-CG1 4.4Å; L75-V100 HydrophobicContact CD1-CG2 4.37Å; L75-A103 HydrophobicContact CD1-CB 3.63Å; L75-A103 HydrophobicContact CD2-CB 3.95Å; L75-A103 HydrophobicContact CG-CB 4.45Å; L75-V111 HydrophobicContact CD2-CG1 3.91Å; L75-T114 HydrophobicContact CB-CG2 4.33Å; L75-T114 HydrophobicContact CD2-CG2 4.11Å; L75-T114 HydrophobicContact CG-CG2 4.45Å; L75-L115 HydrophobicContact CD1-CD1 3.94Å; L75-L115 HydrophobicContact CD2-CB 4.13Å; L75-L115 HydrophobicContact CD2-CD1 4.36Å; L75-L115 HydrophobicContact CG-CD1 4.29Å
76K86.4Confident76.3Confident2 Ų223.8 Ų23.81%0.00912%0.123CC..Hα-helixtrans-61.1-42.7177.2-66.4-171.2173.7-177.30111.2D22 I25 N26 H72 I73 V79 S80 T114 E117 A118D22-K76 IonicContact OD2-NZ 2.85Å; D22-K76 PolarHBondContact OD2-NZ 3.13Å; I25-K76 HydrophobicContact CB-CD 4.45Å; I25-K76 HydrophobicContact CG2-CB 3.43Å; I25-K76 VanDerWaalsContact CG2-CB 3.43Å; I25-K76 HydrophobicContact CG2-CD 3.75Å; I25-K76 HydrophobicContact CG2-CG 4.17Å; N26-K76 PolarHBondContact OD1-NZ 3.38Å; N26-K76 VanDerWaalsContact OD1-NZ 3.1Å; H72-K76 VanDerWaalsContact O-CG 3.28Å; H72-K76 WeakPolarHBondContact O-CG 3.44Å; H72-K76 PolarHBondContact O-N 2.91Å; I73-K76 PolarHBondContact O-N 2.7Å; K76-V79 PolarHBondContact O-N 3.22Å; K76-S80 PolarHBondContact O-N 2.88Å; K76-S80 PolarHBondContact O-OG 3.01Å; K76-T114 HydrophobicContact CD-CG2 4.36Å; K76-T114 HydrophobicContact CG-CG2 3.7Å; K76-E117 WeakPolarHBondContact CE-OE2 3.32Å; K76-E117 IonicContact NZ-OE1 2.88Å; K76-E117 PolarHBondContact NZ-OE1 3.16Å; K76-E117 IonicContact NZ-OE2 3.58Å; K76-E117 PolarHBondContact NZ-OE2 3.09Å; K76-A118 HydrophobicContact CB-CB 3.95Å; K76-A118 HydrophobicContact CG-CB 3.84Å
77A82Confident77.4Confident0 Ų020.4 Ų20.40%010%0.1CC..Hα-helixtrans-61.8-43.8173.700000111.7I11 F12 I73 I74 L75 V79 S80 L81I11-A77 HydrophobicContact CG2-CB 4.04Å; F12-A77 HydrophobicContact CE1-CB 4.47Å; F12-A77 HydrophobicContact CZ-CB 4.27Å; I73-A77 VanDerWaalsContact O-CB 3.31Å; I73-A77 WeakPolarHBondContact O-CB 3.39Å; I73-A77 PolarHBondContact O-N 2.8Å; I74-A77 PolarHBondContact O-N 3.26Å; L75-A77 VanDerWaalsContact C-N 3.33Å; L75-A77 PolarHBondContact O-N 3.25Å; A77-V79 PolarHBondContact O-N 3.39Å; A77-S80 WeakPolarHBondContact CA-OG 3.39Å; A77-S80 PolarHBondContact O-N 3.22Å; A77-S80 PolarHBondContact O-OG 3.26Å; A77-L81 VanDerWaalsContact O-CB 3.26Å; A77-L81 WeakPolarHBondContact O-CB 3.12Å; A77-L81 VanDerWaalsContact O-CG 3.26Å; A77-L81 WeakPolarHBondContact O-CG 3.48Å; A77-L81 PolarHBondContact O-N 3.48Å
78A84.8Confident78.4Confident0 Ų020.2 Ų20.20%010%0.102CC..Hα-helixtrans-62.3-44177.900000112.7F12 I74 L75 S82 L96 V99 V100F12-A78 HydrophobicContact CE1-CB 4.48Å; I74-A78 VanDerWaalsContact O-CB 3.32Å; I74-A78 WeakPolarHBondContact O-CB 3.29Å; I74-A78 PolarHBondContact O-N 2.71Å; L75-A78 PolarHBondContact O-N 3.33Å; A78-S82 WeakPolarHBondContact O-CB 3.49Å; A78-S82 PolarHBondContact O-N 2.82Å; A78-S82 PolarHBondContact O-OG 3.31Å; A78-L96 HydrophobicContact CB-CD2 4.38Å; A78-V99 HydrophobicContact CB-CB 3.91Å; A78-V99 HydrophobicContact CB-CG1 3.84Å; A78-V99 HydrophobicContact CB-CG2 4.48Å; A78-V100 HydrophobicContact CB-CG2 4.37Å
79V88.7Confident78.9Confident0 Ų021.6 Ų21.60%010%0.103CC..Hα-helixtrans-60.9-52.9176.71710000110.8L75 K76 A77 L81 S82 F83 V100 L115 A118 L119 W137L75-V79 HydrophobicContact CD1-CG2 4.42Å; L75-V79 WeakPolarHBondContact O-CG2 3.33Å; L75-V79 PolarHBondContact O-N 3.34Å; K76-V79 PolarHBondContact O-N 3.22Å; A77-V79 PolarHBondContact O-N 3.39Å; V79-L81 PolarHBondContact O-N 3.23Å; V79-S82 WeakPolarHBondContact O-CB 3.27Å; V79-S82 PolarHBondContact O-N 2.9Å; V79-F83 PolarHBondContact O-N 3.44Å; V79-V100 HydrophobicContact CG2-CG2 3.96Å; V79-L115 HydrophobicContact CG2-CD1 3.64Å; V79-A118 HydrophobicContact CB-CB 3.97Å; V79-A118 HydrophobicContact CG1-CB 3.97Å; V79-A118 HydrophobicContact CG2-CB 4.32Å; V79-L119 HydrophobicContact CG1-CB 4.32Å; V79-L119 HydrophobicContact CG1-CD1 4.21Å; V79-W137 HydrophobicContact CG1-CH2 4.35Å; V79-W137 HydrophobicContact CG2-CH2 4.35Å
80S86.5Confident79.5Confident0 Ų019.2 Ų19.20%09%0.094CC..Hα-helixtrans-61.9-45.2-178.154.10000113V32 K76 A77 S82 F83 R84 C122V32-S80 VanDerWaalsContact CG1-O 3.27Å; V32-S80 WeakPolarHBondContact CG1-O 3.27Å; K76-S80 PolarHBondContact O-N 2.88Å; K76-S80 PolarHBondContact O-OG 3.01Å; A77-S80 WeakPolarHBondContact CA-OG 3.39Å; A77-S80 PolarHBondContact O-N 3.22Å; A77-S80 PolarHBondContact O-OG 3.26Å; S80-S82 VanDerWaalsContact C-N 3.3Å; S80-S82 PolarHBondContact O-N 3.32Å; S80-F83 PolarHBondContact O-N 3.41Å; S80-R84 PolarHBondContact O-N 3.42Å; S80-C122 VanDerWaalsContact CA-SG 3.56Å
81L83.1Confident79.5Confident4 Ų421.4 Ų21.42%0.02111%0.108CC..Hα-helixtrans-68.9-28178.3-69.8169.5000112.5I8 F12 V32 W43 W51 M54 A77 V79 F83 R84 Y85 L96I8-L81 HydrophobicContact CG2-CD1 3.84Å; I8-L81 HydrophobicContact CG2-CD2 4.49Å; F12-L81 HydrophobicContact CE2-CD1 3.84Å; F12-L81 HydrophobicContact CZ-CD1 3.76Å; V32-L81 HydrophobicContact CG1-CD2 4.27Å; W43-L81 HydrophobicContact CH2-CD2 3.76Å; W43-L81 HydrophobicContact CZ3-CD2 3.94Å; W51-L81 HydrophobicContact CH2-CD2 4.27Å; W51-L81 HydrophobicContact CZ3-CD2 4.28Å; M54-L81 HydrophobicContact CE-CD1 3.56Å; M54-L81 HydrophobicContact CE-CD2 3.75Å; M54-L81 HydrophobicContact CE-CG 4.19Å; A77-L81 VanDerWaalsContact O-CB 3.26Å; A77-L81 WeakPolarHBondContact O-CB 3.12Å; A77-L81 VanDerWaalsContact O-CG 3.26Å; A77-L81 WeakPolarHBondContact O-CG 3.48Å; A77-L81 PolarHBondContact O-N 3.48Å; V79-L81 PolarHBondContact O-N 3.23Å; L81-F83 VanDerWaalsContact C-N 3.33Å; L81-F83 PolarHBondContact O-N 3.45Å; L81-R84 PolarHBondContact O-N 3.13Å; L81-Y85 WeakPolarHBondContact O-CB 3.47Å; L81-Y85 PolarHBondContact O-N 3.25Å; L81-L96 HydrophobicContact CB-CD1 3.48Å; L81-L96 VanDerWaalsContact CB-CD1 3.48Å; L81-L96 HydrophobicContact CB-CD2 4.23Å; L81-L96 HydrophobicContact CD1-CD2 4.38Å
82S86.1Confident79Confident0 Ų022.5 Ų22.50%012%0.122CC..Hα-helixtrans-60.1-43.1173.9-63.10000111.4A78 V79 S80 G86A78-S82 WeakPolarHBondContact O-CB 3.49Å; A78-S82 PolarHBondContact O-N 2.82Å; A78-S82 PolarHBondContact O-OG 3.31Å; V79-S82 WeakPolarHBondContact O-CB 3.27Å; V79-S82 PolarHBondContact O-N 2.9Å; S80-S82 VanDerWaalsContact C-N 3.3Å; S80-S82 PolarHBondContact O-N 3.32Å; S82-G86 PolarHBondContact O-N 2.86Å
83F84.9Confident78.5Confident5 Ų521.1 Ų21.12%0.02212%0.116CC..Hα-helixtrans-62-46.1174.4-85-87.8000112V33 V79 S80 L81 G86 Y87 L119 C122 L123 L126 V135 I138V33-F83 HydrophobicContact CG2-CB 3.81Å; V33-F83 HydrophobicContact CG2-CG 4.23Å; V79-F83 PolarHBondContact O-N 3.44Å; S80-F83 PolarHBondContact O-N 3.41Å; L81-F83 VanDerWaalsContact C-N 3.33Å; L81-F83 PolarHBondContact O-N 3.45Å; F83-G86 PolarHBondContact O-N 2.88Å; F83-Y87 WeakPolarHBondContact O-CB 3.19Å; F83-Y87 PolarHBondContact O-N 3.05Å; F83-L119 HydrophobicContact CE2-CD1 3.64Å; F83-L119 HydrophobicContact CZ-CD1 3.94Å; F83-C122 HydrophobicContact CD2-CB 3.71Å; F83-C122 HydrophobicContact CE2-CB 3.69Å; F83-C122 HydrophobicContact CG-CB 4.37Å; F83-C122 HydrophobicContact CZ-CB 4.32Å; F83-L123 HydrophobicContact CE1-CD2 4.18Å; F83-L123 HydrophobicContact CZ-CD2 3.84Å; F83-L123 HydrophobicContact CZ-CG 4.34Å; F83-L126 HydrophobicContact CD1-CD2 3.92Å; F83-L126 HydrophobicContact CE1-CD1 4.3Å; F83-L126 HydrophobicContact CE1-CD2 3.98Å; F83-V135 HydrophobicContact CB-CG2 4.24Å; F83-V135 HydrophobicContact CD1-CG2 3.56Å; F83-V135 HydrophobicContact CD2-CG2 3.73Å; F83-V135 HydrophobicContact CE1-CB 4.45Å; F83-V135 HydrophobicContact CE1-CG2 3.71Å; F83-V135 HydrophobicContact CE2-CG2 3.87Å; F83-V135 HydrophobicContact CG-CG2 3.57Å; F83-V135 HydrophobicContact CZ-CB 4.38Å; F83-V135 HydrophobicContact CZ-CG2 3.87Å; F83-I138 HydrophobicContact CZ-CD1 3.89Å
84R82.9Confident77.9Confident4 Ų428.4 Ų28.42%0.01515%0.148CC..Hα-helixtrans-67.6-40.3-177.6-174.864-169.5178.617.4112V32 T40 W43 W51 S80 L81 Y87 I88V32-R84 HydrophobicContact CG1-CB 3.51Å; V32-R84 HydrophobicContact CG1-CG 4.2Å; V32-R84 WeakPolarHBondContact O-CD 3.33Å; T40-R84 VanDerWaalsContact CA-NH2 3.32Å; W43-R84 HydrophobicContact CB-CG 4.34Å; W43-R84 HydrophobicContact CD2-CG 3.97Å; W43-R84 HydrophobicContact CE3-CG 4.38Å; W43-R84 HydrophobicContact CG-CG 3.93Å; W51-R84 HydrophobicContact CH2-CB 4.43Å; W51-R84 HydrophobicContact CH2-CG 4.06Å; W51-R84 HydrophobicContact CZ2-CG 4.4Å; S80-R84 PolarHBondContact O-N 3.42Å; L81-R84 PolarHBondContact O-N 3.13Å; R84-Y87 WeakPolarHBondContact O-CB 3.43Å; R84-Y87 PolarHBondContact O-N 3.46Å; R84-I88 HydrophobicContact CG-CD1 3.98Å; R84-I88 WeakPolarHBondContact O-CG1 3.42Å; R84-I88 PolarHBondContact O-N 3.49Å
85Y79.5Confident77.6Confident29 Ų2928.1 Ų28.111%0.11415%0.146CC..Hα-helixtrans-62.1-50174.3-168.3-75.7000110.8W51 L81 Y87 I88 F89 D93W51-Y85 HydrophobicContact CB-CE2 4.43Å; W51-Y85 HydrophobicContact CD2-CD2 4.22Å; W51-Y85 AromaticContact CE3-CD2 3.68Å; W51-Y85 HydrophobicContact CE3-CD2 3.68Å; W51-Y85 HydrophobicContact CE3-CE2 4.33Å; W51-Y85 HydrophobicContact CZ3-CD2 4.05Å; L81-Y85 WeakPolarHBondContact O-CB 3.47Å; L81-Y85 PolarHBondContact O-N 3.25Å; Y85-Y87 PolarHBondContact O-N 2.94Å; Y85-I88 PolarHBondContact O-N 2.97Å; Y85-F89 HydrophobicContact CD1-CB 3.95Å; Y85-F89 AromaticContact CD1-CD2 3.95Å; Y85-F89 HydrophobicContact CD1-CD2 3.95Å; Y85-F89 HydrophobicContact CD1-CG 4.44Å; Y85-F89 AromaticContact CD2-CD2 3.61Å; Y85-F89 HydrophobicContact CD2-CD2 3.61Å; Y85-F89 HydrophobicContact CD2-CE2 4.05Å; Y85-F89 HydrophobicContact CE1-CB 3.5Å; Y85-F89 AromaticContact CE1-CD2 3.85Å; Y85-F89 HydrophobicContact CE1-CD2 3.85Å; Y85-F89 HydrophobicContact CE1-CG 4.05Å; Y85-F89 AromaticContact CE2-CD2 3.49Å; Y85-F89 HydrophobicContact CE2-CD2 3.49Å; Y85-F89 VanDerWaalsContact CE2-CD2 3.49Å; Y85-F89 AromaticContact CE2-CE2 3.93Å; Y85-F89 HydrophobicContact CE2-CE2 3.93Å; Y85-F89 HydrophobicContact CE2-CG 4.29Å; Y85-F89 AromaticContact CG-CD2 3.86Å; Y85-F89 HydrophobicContact CG-CD2 3.86Å; Y85-F89 AromaticContact CZ-CD2 3.62Å; Y85-F89 AromaticContact CZ-CG 3.98Å; Y85-F89 PolarHBondContact O-N 3.49Å; Y85-D93 HydrophobicContact CD1-CB 3.49Å; Y85-D93 VanDerWaalsContact CD1-CB 3.49Å; Y85-D93 HydrophobicContact CD2-CB 3.79Å; Y85-D93 VanDerWaalsContact CD2-OD2 3.22Å; Y85-D93 WeakPolarHBondContact CD2-OD2 3.31Å; Y85-D93 HydrophobicContact CE1-CB 3.54Å; Y85-D93 HydrophobicContact CE2-CB 3.84Å; Y85-D93 WeakPolarHBondContact CE2-OD2 3.24Å; Y85-D93 HydrophobicContact CG-CB 3.6Å
86G79Confident77.3Confident2 Ų227.8 Ų27.82%0.02115%0.145CC..Hα-helixtrans-54.9-37.8177.200000112.6S82 F83 G90S82-G86 PolarHBondContact O-N 2.86Å; F83-G86 PolarHBondContact O-N 2.88Å; G86-G90 WeakPolarHBondContact CA-O 3.42Å; G86-G90 WeakPolarHBondContact O-CA 3.48Å; G86-G90 PolarHBondContact O-N 2.69Å
87Y78.6Confident76.9Confident77 Ų7729 Ų2930%0.30215%0.15SC..Hα-helixtrans-66.5-42.8174.4-178.9-99.6000113.6Q35 F83 R84 Y85 Y134Q35-Y87 HydrophobicContact CG-CD2 4.42Å; Q35-Y87 HydrophobicContact CG-CE2 4Å; F83-Y87 WeakPolarHBondContact O-CB 3.19Å; F83-Y87 PolarHBondContact O-N 3.05Å; R84-Y87 WeakPolarHBondContact O-CB 3.43Å; R84-Y87 PolarHBondContact O-N 3.46Å; Y85-Y87 PolarHBondContact O-N 2.94Å; Y87-Y134 HydrophobicContact CD2-CD2 4.33Å; Y87-Y134 AromaticContact CD2-CE2 3.7Å; Y87-Y134 HydrophobicContact CD2-CE2 3.7Å
88I75.8Confident76.6Confident50 Ų5033.7 Ų33.726%0.25617%0.172SC..Hα-helixtrans-80.6-43-175.7-61.3167.9000112W43 W51 R84 Y85W43-I88 HydrophobicContact CB-CD1 3.84Å; W51-I88 HydrophobicContact CH2-CD1 4.45Å; W51-I88 HydrophobicContact CZ2-CD1 3.66Å; R84-I88 HydrophobicContact CG-CD1 3.98Å; R84-I88 WeakPolarHBondContact O-CG1 3.42Å; R84-I88 PolarHBondContact O-N 3.49Å; Y85-I88 PolarHBondContact O-N 2.97Å
89F75.4Confident76.3Confident83 Ų8334 Ų3436%0.36417%0.174SC..Hα-helixtrans-120.6-7.6-166.7-55.9-69.7000113.7I48 W51 Y85I48-F89 HydrophobicContact CG1-CE1 4.1Å; I48-F89 HydrophobicContact CG1-CZ 4.36Å; W51-F89 HydrophobicContact CB-CE2 4.49Å; W51-F89 AromaticContact CD1-CE2 3.67Å; W51-F89 AromaticContact CD1-CZ 3.67Å; W51-F89 AromaticContact CD2-CE2 3.93Å; W51-F89 HydrophobicContact CD2-CE2 3.93Å; W51-F89 AromaticContact CE2-CE2 3.87Å; W51-F89 AromaticContact CG-CE2 3.79Å; W51-F89 HydrophobicContact CG-CE2 3.79Å; W51-F89 HydrophobicContact CG-CZ 4.16Å; W51-F89 AromaticContact NE1-CE2 3.7Å; W51-F89 AromaticContact NE1-CZ 3.87Å; Y85-F89 HydrophobicContact CD1-CB 3.95Å; Y85-F89 AromaticContact CD1-CD2 3.95Å; Y85-F89 HydrophobicContact CD1-CD2 3.95Å; Y85-F89 HydrophobicContact CD1-CG 4.44Å; Y85-F89 AromaticContact CD2-CD2 3.61Å; Y85-F89 HydrophobicContact CD2-CD2 3.61Å; Y85-F89 HydrophobicContact CD2-CE2 4.05Å; Y85-F89 HydrophobicContact CE1-CB 3.5Å; Y85-F89 AromaticContact CE1-CD2 3.85Å; Y85-F89 HydrophobicContact CE1-CD2 3.85Å; Y85-F89 HydrophobicContact CE1-CG 4.05Å; Y85-F89 AromaticContact CE2-CD2 3.49Å; Y85-F89 HydrophobicContact CE2-CD2 3.49Å; Y85-F89 VanDerWaalsContact CE2-CD2 3.49Å; Y85-F89 AromaticContact CE2-CE2 3.93Å; Y85-F89 HydrophobicContact CE2-CE2 3.93Å; Y85-F89 HydrophobicContact CE2-CG 4.29Å; Y85-F89 AromaticContact CG-CD2 3.86Å; Y85-F89 HydrophobicContact CG-CD2 3.86Å; Y85-F89 AromaticContact CZ-CD2 3.62Å; Y85-F89 AromaticContact CZ-CG 3.98Å; Y85-F89 PolarHBondContact O-N 3.49Å
90G73.3Confident76.1Confident27 Ų2734 Ų3428%0.27817%0.174SC..  trans79.4-164.6-172.500000113.6G86 G92G86-G90 WeakPolarHBondContact CA-O 3.42Å; G86-G90 WeakPolarHBondContact O-CA 3.48Å; G86-G90 PolarHBondContact O-N 2.69Å; G90-G92 VanDerWaalsContact C-N 3.31Å; G90-G92 PolarHBondContact O-N 2.79Å
91N63.5Low75.9Confident101 Ų10136.3 Ų36.354%0.5419%0.19SC..SBendtrans-77.771.6-172.2-68.5-9.3000112.1S133 Y134N91-S133 PolarHBondContact OD1-O 2.72Å; N91-Y134 PolarHBondContact OD1-O 2.98Å
92G57.9Low75.6Confident35 Ų3538.3 Ų38.336%0.36120%0.198SC..  trans-133.9-14.2-173.100000118G90 F94G90-G92 VanDerWaalsContact C-N 3.31Å; G90-G92 PolarHBondContact O-N 2.79Å; G92-F94 WeakPolarHBondContact O-CD2 3.48Å; G92-F94 PolarHBondContact O-N 3.5Å
93D63.3Low75.4Confident4 Ų438.6 Ų38.62%0.02120%0.2CC..  trans-82.7108.6-174.4-156.8-15.1000112.7S55 Y85 G95 L96 H97S55-D93 VanDerWaalsContact CB-OD1 3.28Å; S55-D93 WeakPolarHBondContact CB-OD1 3.37Å; S55-D93 PolarHBondContact OG-OD1 2.93Å; Y85-D93 HydrophobicContact CD1-CB 3.49Å; Y85-D93 VanDerWaalsContact CD1-CB 3.49Å; Y85-D93 HydrophobicContact CD2-CB 3.79Å; Y85-D93 VanDerWaalsContact CD2-OD2 3.22Å; Y85-D93 WeakPolarHBondContact CD2-OD2 3.31Å; Y85-D93 HydrophobicContact CE1-CB 3.54Å; Y85-D93 HydrophobicContact CE2-CB 3.84Å; Y85-D93 WeakPolarHBondContact CE2-OD2 3.24Å; Y85-D93 HydrophobicContact CG-CB 3.6Å; D93-G95 PolarHBondContact OD1-N 3.26Å; D93-G95 VanDerWaalsContact OD1-N 3.14Å; D93-L96 WeakPolarHBondContact OD2-CD1 3.36Å; D93-H97 WeakPolarHBondContact O-CB 3.32Å; D93-H97 PolarHBondContact O-ND1 3.5Å
94F64.5Low75.4Confident160 Ų16039.6 Ų39.670%0.70221%0.205SC*.Hα-helixtrans-75.3-32.4178.3-73.7-87000113G92 Q98G92-F94 WeakPolarHBondContact O-CD2 3.48Å; G92-F94 PolarHBondContact O-N 3.5Å; F94-Q98 WeakPolarHBondContact O-CB 3.46Å; F94-Q98 WeakPolarHBondContact O-CG 3.26Å; F94-Q98 PolarHBondContact O-N 3.19Å
95G70.3Confident75.3Confident1 Ų143.9 Ų43.91%0.0123%0.229CC..Hα-helixtrans-70.1-54.3-171.400000112.9S55 D93 H97 Q98 V99S55-G95 WeakPolarHBondContact OG-CA 3.3Å; S55-G95 PolarHBondContact OG-N 3.06Å; D93-G95 PolarHBondContact OD1-N 3.26Å; D93-G95 VanDerWaalsContact OD1-N 3.14Å; G95-H97 VanDerWaalsContact C-N 3.31Å; G95-H97 PolarHBondContact O-N 2.97Å; G95-Q98 WeakPolarHBondContact O-CB 3.33Å; G95-Q98 PolarHBondContact O-N 3.05Å; G95-V99 PolarHBondContact O-N 2.88Å
96L76.1Confident75.2Confident0 Ų044.1 Ų44.10%023%0.232CC..Hα-helixtrans-64.6-38.1179.2-58.2172.2000111.7F12 A58 A78 L81 D93 Q98 V99 V100F12-L96 HydrophobicContact CE1-CD2 4.12Å; F12-L96 HydrophobicContact CE2-CD2 4.32Å; F12-L96 HydrophobicContact CZ-CD2 3.55Å; A58-L96 HydrophobicContact CB-CD2 3.97Å; A78-L96 HydrophobicContact CB-CD2 4.38Å; L81-L96 HydrophobicContact CB-CD1 3.48Å; L81-L96 VanDerWaalsContact CB-CD1 3.48Å; L81-L96 HydrophobicContact CB-CD2 4.23Å; L81-L96 HydrophobicContact CD1-CD2 4.38Å; D93-L96 WeakPolarHBondContact OD2-CD1 3.36Å; L96-Q98 VanDerWaalsContact C-N 3.31Å; L96-Q98 PolarHBondContact O-N 2.84Å; L96-V99 PolarHBondContact O-N 3.46Å; L96-V100 PolarHBondContact O-N 3.46Å
97H78.1Confident74.8Confident28 Ų2850.2 Ų50.213%0.1327%0.274CS..Hα-helixtrans-65.5-33175.9-71.6-172.8000112.5D93 G95 V100 S101 W137D93-H97 WeakPolarHBondContact O-CB 3.32Å; D93-H97 PolarHBondContact O-ND1 3.5Å; G95-H97 VanDerWaalsContact C-N 3.31Å; G95-H97 PolarHBondContact O-N 2.97Å; H97-V100 PolarHBondContact O-N 3.43Å; H97-S101 VanDerWaalsContact O-CB 3.24Å; H97-S101 WeakPolarHBondContact O-CB 3.22Å; H97-S101 PolarHBondContact O-N 3.29Å; H97-S101 PolarHBondContact O-OG 2.95Å; H97-W137 AromaticContact CD2-CD1 3.6Å; H97-W137 AromaticContact CD2-NE1 3.39Å; H97-W137 PolarHBondContact CD2-NE1 3Å; H97-W137 AromaticContact CG-CD1 3.75Å; H97-W137 AromaticContact CG-NE1 3.99Å; H97-W137 AromaticContact NE2-CD1 3.79Å; H97-W137 AromaticContact NE2-NE1 3.66Å
98Q76.3Confident74.9Confident98 Ų9848.9 Ų48.946%0.45827%0.272SS..Hα-helixtrans-64.6-42.1174.6-81.2166.16.900111.5F94 G95 L96 V100 S101 Y102F94-Q98 WeakPolarHBondContact O-CB 3.46Å; F94-Q98 WeakPolarHBondContact O-CG 3.26Å; F94-Q98 PolarHBondContact O-N 3.19Å; G95-Q98 WeakPolarHBondContact O-CB 3.33Å; G95-Q98 PolarHBondContact O-N 3.05Å; L96-Q98 VanDerWaalsContact C-N 3.31Å; L96-Q98 PolarHBondContact O-N 2.84Å; Q98-V100 PolarHBondContact O-N 3.45Å; Q98-S101 PolarHBondContact O-N 3.24Å; Q98-Y102 VanDerWaalsContact O-CB 3.25Å; Q98-Y102 WeakPolarHBondContact O-CB 3.22Å; Q98-Y102 PolarHBondContact O-N 3.25Å
99V78.4Confident75.1Confident7 Ų751.7 Ų51.74%0.04228%0.282CS..Hα-helixtrans-59.3-47.9176.1-178.70000111A58 I74 L75 A78 G95 L96 Y102 A103A58-V99 HydrophobicContact CB-CG2 3.99Å; I74-V99 HydrophobicContact CG2-CG1 4.16Å; L75-V99 HydrophobicContact CD1-CG1 4.4Å; A78-V99 HydrophobicContact CB-CB 3.91Å; A78-V99 HydrophobicContact CB-CG1 3.84Å; A78-V99 HydrophobicContact CB-CG2 4.48Å; G95-V99 PolarHBondContact O-N 2.88Å; L96-V99 PolarHBondContact O-N 3.46Å; V99-Y102 PolarHBondContact O-N 2.69Å; V99-A103 WeakPolarHBondContact O-CB 3.3Å; V99-A103 PolarHBondContact O-N 3.31Å
100V84.7Confident75.3Confident0 Ų052 Ų520%029%0.288CS..Hα-helixtrans-66.4-42.6178.9177.60000111.5L75 A78 V79 L96 H97 Q98 Y102 A103 L104 L115 W137L75-V100 HydrophobicContact CD1-CG2 4.37Å; A78-V100 HydrophobicContact CB-CG2 4.37Å; V79-V100 HydrophobicContact CG2-CG2 3.96Å; L96-V100 PolarHBondContact O-N 3.46Å; H97-V100 PolarHBondContact O-N 3.43Å; Q98-V100 PolarHBondContact O-N 3.45Å; V100-Y102 VanDerWaalsContact C-N 3.3Å; V100-Y102 PolarHBondContact O-N 3.42Å; V100-A103 PolarHBondContact O-N 3.31Å; V100-L104 HydrophobicContact CG1-CD1 4.18Å; V100-L104 WeakPolarHBondContact O-CG 3.2Å; V100-L104 PolarHBondContact O-N 3.15Å; V100-L115 HydrophobicContact CG1-CD1 3.93Å; V100-W137 HydrophobicContact CB-CZ2 4.29Å; V100-W137 HydrophobicContact CG1-CD2 3.8Å; V100-W137 HydrophobicContact CG1-CE3 3.78Å; V100-W137 HydrophobicContact CG1-CH2 3.83Å; V100-W137 HydrophobicContact CG1-CZ2 3.8Å; V100-W137 HydrophobicContact CG1-CZ3 3.81Å; V100-W137 HydrophobicContact CG2-CH2 4.47Å; V100-W137 HydrophobicContact CG2-CZ2 3.94Å
101S81.5Confident75.8Confident48 Ų4850.7 Ų50.734%0.33628%0.275SS..Hα-helixtrans-63-40.3178.8-61.10000111.7H97 Q98 L104 D105H97-S101 VanDerWaalsContact O-CB 3.24Å; H97-S101 WeakPolarHBondContact O-CB 3.22Å; H97-S101 PolarHBondContact O-N 3.29Å; H97-S101 PolarHBondContact O-OG 2.95Å; Q98-S101 PolarHBondContact O-N 3.24Å; S101-L104 PolarHBondContact O-N 3.07Å; S101-D105 PolarHBondContact O-N 3.21Å
102Y78.3Confident76.8Confident45 Ų4547.6 Ų47.618%0.17626%0.258CS..Hα-helixtrans-65.1-48174.9175.5-123.4000111W61 I63 Q98 V99 V100 L104 D105 I106W61-Y102 AromaticContact CE3-CD1 3.98Å; W61-Y102 HydrophobicContact CE3-CD1 3.98Å; W61-Y102 HydrophobicContact CE3-CE1 4.17Å; W61-Y102 HydrophobicContact CH2-CD1 4.47Å; W61-Y102 AromaticContact CH2-CE1 3.92Å; W61-Y102 HydrophobicContact CH2-CE1 3.92Å; W61-Y102 AromaticContact CZ3-CD1 3.51Å; W61-Y102 HydrophobicContact CZ3-CD1 3.51Å; W61-Y102 AromaticContact CZ3-CE1 3.38Å; W61-Y102 HydrophobicContact CZ3-CE1 3.38Å; I63-Y102 HydrophobicContact CB-CD2 4.34Å; I63-Y102 HydrophobicContact CB-CE2 3.9Å; I63-Y102 HydrophobicContact CG1-CD2 3.8Å; I63-Y102 HydrophobicContact CG1-CE2 3.88Å; I63-Y102 HydrophobicContact CG1-CG 4.34Å; I63-Y102 HydrophobicContact CG2-CD2 4.2Å; I63-Y102 HydrophobicContact CG2-CE2 3.51Å; I63-Y102 PolarHBondContact O-OH 2.82Å; Q98-Y102 VanDerWaalsContact O-CB 3.25Å; Q98-Y102 WeakPolarHBondContact O-CB 3.22Å; Q98-Y102 PolarHBondContact O-N 3.25Å; V99-Y102 PolarHBondContact O-N 2.69Å; V100-Y102 VanDerWaalsContact C-N 3.3Å; V100-Y102 PolarHBondContact O-N 3.42Å; Y102-L104 PolarHBondContact O-N 3.3Å; Y102-D105 WeakPolarHBondContact O-CA 3.4Å; Y102-D105 WeakPolarHBondContact O-CB 3.45Å; Y102-D105 PolarHBondContact O-N 3.33Å; Y102-I106 HydrophobicContact CD1-CD1 3.97Å; Y102-I106 HydrophobicContact CD2-CG1 4.4Å; Y102-I106 HydrophobicContact CE1-CD1 3.44Å; Y102-I106 VanDerWaalsContact CE1-CD1 3.44Å; Y102-I106 HydrophobicContact CE1-CG1 4.06Å; Y102-I106 HydrophobicContact CE2-CD1 4.16Å; Y102-I106 HydrophobicContact CE2-CG1 3.83Å; Y102-I106 WeakPolarHBondContact O-CG1 3.36Å; Y102-I106 PolarHBondContact O-N 2.76Å
103A80.8Confident78.2Confident6 Ų648.1 Ų48.15%0.0525%0.252CS..Hα-helixtrans-55-39.2176.100000112.6L75 V99 V100 D105 I106 V111L75-A103 HydrophobicContact CD1-CB 3.63Å; L75-A103 HydrophobicContact CD2-CB 3.95Å; L75-A103 HydrophobicContact CG-CB 4.45Å; V99-A103 WeakPolarHBondContact O-CB 3.3Å; V99-A103 PolarHBondContact O-N 3.31Å; V100-A103 PolarHBondContact O-N 3.31Å; A103-D105 PolarHBondContact O-N 3.43Å; A103-I106 PolarHBondContact O-N 3.29Å; A103-V111 HydrophobicContact CB-CG1 3.71Å; A103-V111 WeakPolarHBondContact O-CG1 3.3Å
104L84.5Confident79.2Confident26 Ų2648.1 Ų48.114%0.13625%0.252CS..THydrogen-bonded Turntrans-66.4-18.9175.2-73.7168.6000114.2V100 S101 Y102 L115 K142 V143 L146V100-L104 HydrophobicContact CG1-CD1 4.18Å; V100-L104 WeakPolarHBondContact O-CG 3.2Å; V100-L104 PolarHBondContact O-N 3.15Å; S101-L104 PolarHBondContact O-N 3.07Å; Y102-L104 PolarHBondContact O-N 3.3Å; L104-L115 HydrophobicContact CD2-CD2 3.48Å; L104-L115 VanDerWaalsContact CD2-CD2 3.48Å; L104-L115 HydrophobicContact CG-CD2 4.08Å; L104-K142 HydrophobicContact CB-CB 4.36Å; L104-K142 HydrophobicContact CB-CD 4.19Å; L104-K142 HydrophobicContact CD1-CB 4.29Å; L104-V143 HydrophobicContact CD1-CG2 3.73Å; L104-V143 HydrophobicContact CD2-CG2 4.03Å; L104-L146 HydrophobicContact CD2-CD1 4.01Å
105D82.5Confident80.5Confident95 Ų9540.6 Ų40.651%0.50822%0.219SC..THydrogen-bonded Turntrans-91.1-18.8174.8-72.9-36.1000112.7S101 Y102 A103 S107 K142S101-D105 PolarHBondContact O-N 3.21Å; Y102-D105 WeakPolarHBondContact O-CA 3.4Å; Y102-D105 WeakPolarHBondContact O-CB 3.45Å; Y102-D105 PolarHBondContact O-N 3.33Å; A103-D105 PolarHBondContact O-N 3.43Å; D105-S107 PolarHBondContact O-N 3.3Å; D105-K142 VanDerWaalsContact OD1-CE 3.27Å; D105-K142 WeakPolarHBondContact OD1-CE 3.29Å; D105-K142 IonicContact OD1-NZ 2.94Å; D105-K142 PolarHBondContact OD1-NZ 2.87Å; D105-K142 IonicContact OD2-NZ 3.21Å; D105-K142 PolarHBondContact OD2-NZ 3.34Å
106I75.8Confident81.5Confident34 Ų3440.7 Ų40.717%0.17422%0.219CC..SBendtrans-75.9107.5174-54.7171.2000108Y102 A103 N108 V111Y102-I106 HydrophobicContact CD1-CD1 3.97Å; Y102-I106 HydrophobicContact CD2-CG1 4.4Å; Y102-I106 HydrophobicContact CE1-CD1 3.44Å; Y102-I106 VanDerWaalsContact CE1-CD1 3.44Å; Y102-I106 HydrophobicContact CE1-CG1 4.06Å; Y102-I106 HydrophobicContact CE2-CD1 4.16Å; Y102-I106 HydrophobicContact CE2-CG1 3.83Å; Y102-I106 WeakPolarHBondContact O-CG1 3.36Å; Y102-I106 PolarHBondContact O-N 2.76Å; A103-I106 PolarHBondContact O-N 3.29Å; I106-N108 HydrophobicContact CG2-CB 3.77Å; I106-N108 PolarHBondContact O-N 2.9Å; I106-V111 HydrophobicContact CB-CG2 4.3Å; I106-V111 HydrophobicContact CG2-CG2 3.96Å
107S71.7Confident82.1Confident130 Ų13042.6 Ų42.691%0.90923%0.228SC*.  trans-73.270.2175.4-62.30000111.5D105D105-S107 PolarHBondContact O-N 3.3Å
108N79.8Confident82.7Confident49 Ų4941.3 Ų41.326%0.26222%0.222SC..  trans-135.9121.8-178.9-177.6-34.1000111.4I106 N110 V111 D112I106-N108 HydrophobicContact CG2-CB 3.77Å; I106-N108 PolarHBondContact O-N 2.9Å; N108-N110 VanDerWaalsContact C-N 3.27Å; N108-N110 PolarHBondContact O-N 3.37Å; N108-N110 WeakPolarHBondContact OD1-CB 3.34Å; N108-N110 PolarHBondContact OD1-N 3.1Å; N108-V111 HydrophobicContact CB-CB 4.29Å; N108-V111 HydrophobicContact CB-CG2 3.71Å; N108-V111 VanDerWaalsContact O-CB 3.29Å; N108-V111 WeakPolarHBondContact O-CB 3.26Å; N108-V111 PolarHBondContact O-N 2.61Å; N108-D112 PolarHBondContact O-N 2.98Å; N108-D112 VanDerWaalsContact O-N 3.08Å
109K81Confident83.5Confident108 Ų10836.8 Ų36.847%0.4720%0.201SC..Hα-helixtrans-58.3-32.9-177.7-177.1168.6174166.30113.9D112 I113 E153K109-D112 PolarHBondContact O-N 3.47Å; K109-I113 HydrophobicContact CG-CD1 3.96Å; K109-I113 HydrophobicContact CG-CG1 4.43Å; K109-I113 WeakPolarHBondContact O-CG1 3.35Å; K109-I113 PolarHBondContact O-N 2.89Å; K109-E153 VanDerWaalsContact CE-OE1 3.31Å; K109-E153 WeakPolarHBondContact CE-OE1 3.45Å; K109-E153 IonicContact NZ-OE1 3.88Å; K109-E153 PolarHBondContact NZ-OE1 3.18Å; K109-E153 IonicContact NZ-OE2 2.8Å
110N79.7Confident84.2Confident89 Ų8936.4 Ų36.448%0.47620%0.199SC..Hα-helixtrans-71.8-34.3177.9-67.5-18.9000111.8Y67 N108 T114Y67-N110 HydrophobicContact CE1-CB 3.69Å; Y67-N110 PolarHBondContact OH-O 3.02Å; N108-N110 VanDerWaalsContact C-N 3.27Å; N108-N110 PolarHBondContact O-N 3.37Å; N108-N110 WeakPolarHBondContact OD1-CB 3.34Å; N108-N110 PolarHBondContact OD1-N 3.1Å; N110-T114 WeakPolarHBondContact O-CB 3.39Å; N110-T114 PolarHBondContact O-N 3.26Å; N110-T114 PolarHBondContact O-OG1 2.91Å
111V82.5Confident84.4Confident1 Ų138.1 Ų38.11%0.00621%0.207CC..Hα-helixtrans-61.3-50171-179.50000109.3Y67 L75 A103 I106 N108 I113 T114 L115Y67-V111 HydrophobicContact CD1-CG2 4.43Å; Y67-V111 HydrophobicContact CD2-CG2 3.42Å; Y67-V111 VanDerWaalsContact CD2-CG2 3.42Å; Y67-V111 HydrophobicContact CE1-CG2 4.13Å; Y67-V111 HydrophobicContact CE2-CB 4.16Å; Y67-V111 HydrophobicContact CE2-CG2 3.12Å; Y67-V111 HydrophobicContact CG-CG2 4.07Å; Y67-V111 VanDerWaalsContact CZ-CG2 3.44Å; Y67-V111 VanDerWaalsContact OH-CA 3.24Å; Y67-V111 WeakPolarHBondContact OH-CA 3.45Å; Y67-V111 PolarHBondContact OH-N 2.92Å; L75-V111 HydrophobicContact CD2-CG1 3.91Å; A103-V111 HydrophobicContact CB-CG1 3.71Å; A103-V111 WeakPolarHBondContact O-CG1 3.3Å; I106-V111 HydrophobicContact CB-CG2 4.3Å; I106-V111 HydrophobicContact CG2-CG2 3.96Å; N108-V111 HydrophobicContact CB-CB 4.29Å; N108-V111 HydrophobicContact CB-CG2 3.71Å; N108-V111 VanDerWaalsContact O-CB 3.29Å; N108-V111 WeakPolarHBondContact O-CB 3.26Å; N108-V111 PolarHBondContact O-N 2.61Å; V111-I113 VanDerWaalsContact C-N 3.34Å; V111-I113 PolarHBondContact O-N 3.2Å; V111-T114 PolarHBondContact O-N 2.83Å; V111-L115 WeakPolarHBondContact O-CB 3.37Å; V111-L115 PolarHBondContact O-N 3.31Å
112D86.1Confident84.8Confident35 Ų3535.9 Ų35.919%0.18719%0.191CC..Hα-helixtrans-57.6-48-179.1-62.2-22.9000111.1N108 K109 T114 L115 I116 L146 L150N108-D112 PolarHBondContact O-N 2.98Å; N108-D112 VanDerWaalsContact O-N 3.08Å; K109-D112 PolarHBondContact O-N 3.47Å; D112-T114 PolarHBondContact O-N 3.43Å; D112-L115 PolarHBondContact O-N 2.9Å; D112-I116 WeakPolarHBondContact O-CG1 3.46Å; D112-I116 PolarHBondContact O-N 2.93Å; D112-L146 HydrophobicContact CB-CD1 3.91Å; D112-L146 WeakPolarHBondContact OD1-CD1 2.99Å; D112-L150 HydrophobicContact CB-CD1 4.4Å
113I85.4Confident85.5Confident47 Ų4733.7 Ų33.724%0.24118%0.183CC..Hα-helixtrans-60-47.2178.5-69169.5000111.1K109 V111 L115 I116 E117 V158K109-I113 HydrophobicContact CG-CD1 3.96Å; K109-I113 HydrophobicContact CG-CG1 4.43Å; K109-I113 WeakPolarHBondContact O-CG1 3.35Å; K109-I113 PolarHBondContact O-N 2.89Å; V111-I113 VanDerWaalsContact C-N 3.34Å; V111-I113 PolarHBondContact O-N 3.2Å; I113-L115 VanDerWaalsContact C-N 3.32Å; I113-L115 PolarHBondContact O-N 2.9Å; I113-I116 WeakPolarHBondContact O-CG1 3.26Å; I113-I116 PolarHBondContact O-N 3.26Å; I113-E117 WeakPolarHBondContact O-CB 3.33Å; I113-E117 PolarHBondContact O-N 3.22Å; I113-V158 HydrophobicContact CD1-CG2 4.08Å; I113-V158 HydrophobicContact CG1-CG2 3.81Å; I113-V158 HydrophobicContact CG2-CG2 4.29Å
114T85.9Confident85.8Confident4 Ų437.4 Ų37.43%0.02520%0.198CC..Hα-helixtrans-60.9-44.3178.8-59.60000111.1Y67 H72 L75 K76 N110 V111 D112 E117 A118Y67-T114 PolarHBondContact OH-OG1 2.88Å; H72-T114 HydrophobicContact CB-CG2 3.9Å; L75-T114 HydrophobicContact CB-CG2 4.33Å; L75-T114 HydrophobicContact CD2-CG2 4.11Å; L75-T114 HydrophobicContact CG-CG2 4.45Å; K76-T114 HydrophobicContact CD-CG2 4.36Å; K76-T114 HydrophobicContact CG-CG2 3.7Å; N110-T114 WeakPolarHBondContact O-CB 3.39Å; N110-T114 PolarHBondContact O-N 3.26Å; N110-T114 PolarHBondContact O-OG1 2.91Å; V111-T114 PolarHBondContact O-N 2.83Å; D112-T114 PolarHBondContact O-N 3.43Å; T114-E117 PolarHBondContact O-N 3.42Å; T114-A118 PolarHBondContact O-N 2.88Å; T114-A118 VanDerWaalsContact O-N 3.11Å
115L90.3Very high85.8Confident2 Ų237.6 Ų37.61%0.0120%0.201CC..Hα-helixtrans-60.8-51.1179.7-17674.4000111L75 V79 V100 L104 V111 D112 I113 E117 A118 L119 L146L75-L115 HydrophobicContact CD1-CD1 3.94Å; L75-L115 HydrophobicContact CD2-CB 4.13Å; L75-L115 HydrophobicContact CD2-CD1 4.36Å; L75-L115 HydrophobicContact CG-CD1 4.29Å; V79-L115 HydrophobicContact CG2-CD1 3.64Å; V100-L115 HydrophobicContact CG1-CD1 3.93Å; L104-L115 HydrophobicContact CD2-CD2 3.48Å; L104-L115 VanDerWaalsContact CD2-CD2 3.48Å; L104-L115 HydrophobicContact CG-CD2 4.08Å; V111-L115 WeakPolarHBondContact O-CB 3.37Å; V111-L115 PolarHBondContact O-N 3.31Å; D112-L115 PolarHBondContact O-N 2.9Å; I113-L115 VanDerWaalsContact C-N 3.32Å; I113-L115 PolarHBondContact O-N 2.9Å; L115-E117 VanDerWaalsContact C-N 3.27Å; L115-E117 PolarHBondContact O-N 2.86Å; L115-A118 PolarHBondContact O-N 2.87Å; L115-L119 VanDerWaalsContact O-CB 3.24Å; L115-L119 WeakPolarHBondContact O-CB 3.33Å; L115-L119 PolarHBondContact O-N 3.19Å; L115-L146 HydrophobicContact CD2-CD1 4.17Å
116I91.6Very high86Confident2 Ų233.3 Ų33.31%0.0118%0.178CC..Hα-helixtrans-66.3-31.5-179.161.6162.8000112.1D112 I113 A120 L146 L147 L150 V158 N161 I165D112-I116 WeakPolarHBondContact O-CG1 3.46Å; D112-I116 PolarHBondContact O-N 2.93Å; I113-I116 WeakPolarHBondContact O-CG1 3.26Å; I113-I116 PolarHBondContact O-N 3.26Å; I116-A120 WeakPolarHBondContact O-CB 3.44Å; I116-A120 PolarHBondContact O-N 3.48Å; I116-L146 HydrophobicContact CG2-CD2 3.63Å; I116-L147 HydrophobicContact CG2-CD2 4.38Å; I116-L150 HydrophobicContact CD1-CD1 4.01Å; I116-L150 HydrophobicContact CG2-CD1 3.77Å; I116-V158 HydrophobicContact CD1-CB 4.22Å; I116-V158 HydrophobicContact CD1-CG1 3.72Å; I116-V158 HydrophobicContact CD1-CG2 4.45Å; I116-N161 HydrophobicContact CB-CB 4.47Å; I116-N161 HydrophobicContact CD1-CB 4.05Å; I116-N161 HydrophobicContact CG1-CB 4.35Å; I116-I165 HydrophobicContact CB-CD1 3.59Å; I116-I165 HydrophobicContact CG2-CD1 3.82Å; I116-I165 WeakPolarHBondContact O-CD1 3.41Å
117E89.9Confident86.4Confident41 Ų4140.4 Ų40.419%0.19220%0.203CC..Hα-helixtrans-66.4-52.9178.2-171.4-172.6176.700110.7N26 K76 I113 T114 L115 L119 A120 H121N26-E117 PolarHBondContact ND2-OE1 2.92Å; N26-E117 PolarHBondContact OD1-OE1 2.95Å; K76-E117 WeakPolarHBondContact CE-OE2 3.32Å; K76-E117 IonicContact NZ-OE1 2.88Å; K76-E117 PolarHBondContact NZ-OE1 3.16Å; K76-E117 IonicContact NZ-OE2 3.58Å; K76-E117 PolarHBondContact NZ-OE2 3.09Å; I113-E117 WeakPolarHBondContact O-CB 3.33Å; I113-E117 PolarHBondContact O-N 3.22Å; T114-E117 PolarHBondContact O-N 3.42Å; L115-E117 VanDerWaalsContact C-N 3.27Å; L115-E117 PolarHBondContact O-N 2.86Å; E117-L119 VanDerWaalsContact C-N 3.31Å; E117-L119 PolarHBondContact O-N 3.21Å; E117-A120 PolarHBondContact O-N 3.04Å; E117-H121 PolarHBondContact O-CD2 2.93Å; E117-H121 VanDerWaalsContact O-CD2 3.32Å; E117-H121 PolarHBondContact O-N 3.01Å
118A90.3Very high87.2Confident0 Ų036.1 Ų36.10%017%0.173CC..Hα-helixtrans-59.8-43.4176.100000111.9K76 V79 T114 L115 H121 C122K76-A118 HydrophobicContact CB-CB 3.95Å; K76-A118 HydrophobicContact CG-CB 3.84Å; V79-A118 HydrophobicContact CB-CB 3.97Å; V79-A118 HydrophobicContact CG1-CB 3.97Å; V79-A118 HydrophobicContact CG2-CB 4.32Å; T114-A118 PolarHBondContact O-N 2.88Å; T114-A118 VanDerWaalsContact O-N 3.11Å; L115-A118 PolarHBondContact O-N 2.87Å; A118-H121 PolarHBondContact O-N 3.09Å; A118-C122 PolarHBondContact O-N 3.45Å; A118-C122 PolarHBondContact O-SG 3.33Å
119L93Very high87.7Confident3 Ų334 Ų342%0.01616%0.162CC..Hα-helixtrans-63.4-45.4-179.1-172.357.7000111.5V79 F83 L115 E117 H121 C122 L123 W137 I138 I165V79-L119 HydrophobicContact CG1-CB 4.32Å; V79-L119 HydrophobicContact CG1-CD1 4.21Å; F83-L119 HydrophobicContact CE2-CD1 3.64Å; F83-L119 HydrophobicContact CZ-CD1 3.94Å; L115-L119 VanDerWaalsContact O-CB 3.24Å; L115-L119 WeakPolarHBondContact O-CB 3.33Å; L115-L119 PolarHBondContact O-N 3.19Å; E117-L119 VanDerWaalsContact C-N 3.31Å; E117-L119 PolarHBondContact O-N 3.21Å; L119-H121 VanDerWaalsContact C-N 3.33Å; L119-H121 PolarHBondContact O-N 2.98Å; L119-C122 PolarHBondContact O-N 2.92Å; L119-L123 HydrophobicContact CD1-CD1 4.44Å; L119-L123 HydrophobicContact CD1-CG 4.41Å; L119-L123 HydrophobicContact CG-CD1 4.1Å; L119-L123 WeakPolarHBondContact O-CB 3.34Å; L119-L123 VanDerWaalsContact O-CG 3.28Å; L119-L123 WeakPolarHBondContact O-CG 3.48Å; L119-L123 PolarHBondContact O-N 2.96Å; L119-W137 HydrophobicContact CD1-CH2 3.99Å; L119-W137 HydrophobicContact CD1-CZ3 4.34Å; L119-W137 HydrophobicContact CD2-CZ3 4.31Å; L119-I138 HydrophobicContact CD1-CD1 3.72Å; L119-I138 HydrophobicContact CD1-CG1 4.19Å; L119-I138 HydrophobicContact CD2-CD1 4.41Å; L119-I138 HydrophobicContact CD2-CG1 4.18Å; L119-I138 HydrophobicContact CG-CD1 4.42Å; L119-I165 HydrophobicContact CB-CD1 4.1Å; L119-I165 HydrophobicContact CB-CG1 4.35Å; L119-I165 HydrophobicContact CD2-CD1 4.01Å; L119-I165 HydrophobicContact CD2-CG1 4.11Å; L119-I165 HydrophobicContact CD2-CG2 3.77Å; L119-I165 HydrophobicContact CG-CD1 4.19Å; L119-I165 HydrophobicContact CG-CG1 4.05Å; L119-I165 HydrophobicContact CG-CG2 4.4Å
120A92.3Very high88.1Confident0 Ų032.4 Ų32.40%016%0.161CC..Hα-helixtrans-62.7-38.3177.100000112.3I116 E117 K124 N161 I164 I165I116-A120 WeakPolarHBondContact O-CB 3.44Å; I116-A120 PolarHBondContact O-N 3.48Å; E117-A120 PolarHBondContact O-N 3.04Å; A120-K124 WeakPolarHBondContact O-CG 3.44Å; A120-K124 PolarHBondContact O-N 2.86Å; A120-N161 HydrophobicContact CB-CB 3.86Å; A120-I164 HydrophobicContact CB-CB 4.32Å; A120-I164 HydrophobicContact CB-CD1 4.45Å; A120-I164 HydrophobicContact CB-CG2 4.13Å; A120-I165 HydrophobicContact CB-CD1 4.43Å; A120-I165 HydrophobicContact CB-CG1 4.2Å
121H89.5Confident88.5Confident36 Ų3628.5 Ų28.517%0.16714%0.14CC..Hα-helixtrans-64-46173.9-89.4-79.4000112.2C29 L30 E117 A118 L119 L123 K124C29-H121 HydrophobicContact CB-CB 3.87Å; L30-H121 HydrophobicContact CD2-CB 4.49Å; E117-H121 PolarHBondContact O-CD2 2.93Å; E117-H121 VanDerWaalsContact O-CD2 3.32Å; E117-H121 PolarHBondContact O-N 3.01Å; A118-H121 PolarHBondContact O-N 3.09Å; L119-H121 VanDerWaalsContact C-N 3.33Å; L119-H121 PolarHBondContact O-N 2.98Å; H121-L123 PolarHBondContact O-N 3.37Å; H121-K124 PolarHBondContact O-N 3.37Å
122C90.2Very high88.9Confident0 Ų028.5 Ų28.50%014%0.14CC..Hα-helixtrans-60.2-47.3177.6-680000111.6V33 S80 F83 A118 L119 K124 S125V33-C122 WeakPolarHBondContact CG1-O 3.45Å; V33-C122 HydrophobicContact CG2-CB 3.82Å; S80-C122 VanDerWaalsContact CA-SG 3.56Å; F83-C122 HydrophobicContact CD2-CB 3.71Å; F83-C122 HydrophobicContact CE2-CB 3.69Å; F83-C122 HydrophobicContact CG-CB 4.37Å; F83-C122 HydrophobicContact CZ-CB 4.32Å; A118-C122 PolarHBondContact O-N 3.45Å; A118-C122 PolarHBondContact O-SG 3.33Å; L119-C122 PolarHBondContact O-N 2.92Å; C122-K124 PolarHBondContact O-N 3.43Å; C122-S125 PolarHBondContact O-N 3.42Å; C122-S125 VanDerWaalsContact O-N 3.15Å
123L92.1Very high88.9Confident0 Ų029.5 Ų29.50%015%0.15CC..Hα-helixtrans-61.5-40.3-178.1-72.5173.3000112.9F83 L119 H121 S125 L126 V132 I138 I165 F168F83-L123 HydrophobicContact CE1-CD2 4.18Å; F83-L123 HydrophobicContact CZ-CD2 3.84Å; F83-L123 HydrophobicContact CZ-CG 4.34Å; L119-L123 HydrophobicContact CD1-CD1 4.44Å; L119-L123 HydrophobicContact CD1-CG 4.41Å; L119-L123 HydrophobicContact CG-CD1 4.1Å; L119-L123 WeakPolarHBondContact O-CB 3.34Å; L119-L123 VanDerWaalsContact O-CG 3.28Å; L119-L123 WeakPolarHBondContact O-CG 3.48Å; L119-L123 PolarHBondContact O-N 2.96Å; H121-L123 PolarHBondContact O-N 3.37Å; L123-S125 PolarHBondContact O-N 2.92Å; L123-S125 VanDerWaalsContact O-N 3.16Å; L123-L126 HydrophobicContact CD2-CD1 3.65Å; L123-L126 WeakPolarHBondContact O-CB 3.33Å; L123-L126 WeakPolarHBondContact O-CG 3.32Å; L123-L126 PolarHBondContact O-N 3.26Å; L123-L126 VanDerWaalsContact O-N 3.09Å; L123-V132 HydrophobicContact CD2-CG2 4.23Å; L123-I138 HydrophobicContact CD1-CD1 4.33Å; L123-I138 HydrophobicContact CD2-CD1 3.84Å; L123-I138 HydrophobicContact CG-CD1 4.44Å; L123-I165 HydrophobicContact CD1-CB 4.16Å; L123-I165 HydrophobicContact CD1-CG1 3.93Å; L123-I165 HydrophobicContact CD1-CG2 4.16Å; L123-F168 HydrophobicContact CB-CD1 4.14Å; L123-F168 HydrophobicContact CB-CD2 4.05Å; L123-F168 HydrophobicContact CB-CE1 4.21Å; L123-F168 HydrophobicContact CB-CE2 4.12Å; L123-F168 HydrophobicContact CB-CG 4.05Å; L123-F168 HydrophobicContact CB-CZ 4.2Å; L123-F168 HydrophobicContact CD1-CB 4.04Å; L123-F168 HydrophobicContact CD1-CD2 4.5Å; L123-F168 HydrophobicContact CD1-CG 4.26Å; L123-F168 HydrophobicContact CD2-CB 4.18Å; L123-F168 HydrophobicContact CD2-CD1 4.02Å; L123-F168 HydrophobicContact CD2-CG 4.16Å; L123-F168 HydrophobicContact CG-CG 4.39Å; L123-F168 WeakPolarHBondContact O-CE1 3.25Å; L123-F168 WeakPolarHBondContact O-CZ 3.35Å
124K88.6Confident88.8Confident83 Ų8330.7 Ų30.736%0.36115%0.151SC..Hα-helixtrans-57.5-31.3177.3-76.3172.7-169.5163.50113.1A120 H121 C122 I164 K209A120-K124 WeakPolarHBondContact O-CG 3.44Å; A120-K124 PolarHBondContact O-N 2.86Å; H121-K124 PolarHBondContact O-N 3.37Å; C122-K124 PolarHBondContact O-N 3.43Å; K124-I164 HydrophobicContact CG-CG2 4.4Å; K124-K209 PolarHBondContact O-NZ 2.98Å
125S83Confident88.8Confident30 Ų3030.5 Ų30.521%0.2115%0.15CC..THydrogen-bonded Turntrans-85.5-3.7-178.7-70.10000114.5L30 C122 L123L30-S125 WeakPolarHBondContact CD2-OG 3.28Å; L30-S125 PolarHBondContact O-OG 3.41Å; L30-S125 VanDerWaalsContact O-OG 3.13Å; C122-S125 PolarHBondContact O-N 3.42Å; C122-S125 VanDerWaalsContact O-N 3.15Å; L123-S125 PolarHBondContact O-N 2.92Å; L123-S125 VanDerWaalsContact O-N 3.16Å
126L87.1Confident88.4Confident5 Ų533.3 Ų33.33%0.02617%0.17CC..  trans-62144.6177.9-65.6-177.4000111.8V33 F83 L123 D131 V132 F168 K209 F210V33-L126 HydrophobicContact CG1-CD2 3.64Å; F83-L126 HydrophobicContact CD1-CD2 3.92Å; F83-L126 HydrophobicContact CE1-CD1 4.3Å; F83-L126 HydrophobicContact CE1-CD2 3.98Å; L123-L126 HydrophobicContact CD2-CD1 3.65Å; L123-L126 WeakPolarHBondContact O-CB 3.33Å; L123-L126 WeakPolarHBondContact O-CG 3.32Å; L123-L126 PolarHBondContact O-N 3.26Å; L123-L126 VanDerWaalsContact O-N 3.09Å; L126-D131 HydrophobicContact CD1-CB 4.29Å; L126-D131 HydrophobicContact CD2-CB 3.75Å; L126-D131 HydrophobicContact CG-CB 4.41Å; L126-V132 HydrophobicContact CD1-CG2 3.66Å; L126-F168 HydrophobicContact CB-CE1 4.36Å; L126-F168 HydrophobicContact CD1-CD1 4.13Å; L126-F168 HydrophobicContact CD1-CE1 4.1Å; L126-K209 PolarHBondContact O-NZ 3.14Å; L126-F210 HydrophobicContact CB-CZ 4.25Å; L126-F210 WeakPolarHBondContact O-CE1 3.45Å
127R84Confident88.1Confident184 Ų18434 Ų3469%0.69417%0.173SC*.SBendtrans-92.1-34.1177.7-172.1-178.3178.9174.5-0.5111.9D131 F210R127-D131 PolarHBondContact N-OD2 3.01Å; R127-F210 VanDerWaalsContact O-CD1 3.27Å; R127-F210 WeakPolarHBondContact O-CD1 3.3Å; R127-F210 WeakPolarHBondContact O-CE1 3.46Å
128S88.8Confident88.1Confident39 Ų3932.2 Ų32.227%0.27316%0.164SC..  trans-131150.7175.91780000111.4T130 D131S128-T130 WeakPolarHBondContact CB-OG1 3.48Å; S128-T130 PolarHBondContact O-N 3.45Å; S128-T130 PolarHBondContact OG-N 2.92Å; S128-T130 PolarHBondContact OG-OG1 3.23Å; S128-D131 PolarHBondContact N-OD2 3.06Å; S128-D131 VanDerWaalsContact O-CB 3.26Å; S128-D131 WeakPolarHBondContact O-CB 3.45Å; S128-D131 PolarHBondContact O-N 3.12Å; S128-D131 VanDerWaalsContact O-N 3.14Å
129I91.5Very high87.9Confident6 Ų635.4 Ų35.43%0.03118%0.182CC..G310 helixtrans-65.7-22.8172.6-164.560.1000112.4D131 V132 F168 L171 H172 F210 V212I129-D131 PolarHBondContact O-N 2.8Å; I129-V132 HydrophobicContact CD1-CG2 4.16Å; I129-V132 WeakPolarHBondContact O-CB 3.34Å; I129-V132 WeakPolarHBondContact O-CG2 3.42Å; I129-V132 PolarHBondContact O-N 2.99Å; I129-F168 HydrophobicContact CD1-CD1 4.14Å; I129-L171 HydrophobicContact CD1-CB 4.28Å; I129-L171 HydrophobicContact CD1-CD2 4.01Å; I129-L171 HydrophobicContact CD1-CG 4.18Å; I129-L171 HydrophobicContact CG1-CD2 4.18Å; I129-L171 HydrophobicContact CG1-CG 4.11Å; I129-H172 HydrophobicContact CD1-CB 4.34Å; I129-H172 HydrophobicContact CG1-CB 4.21Å; I129-H172 PolarHBondContact O-ND1 2.73Å; I129-F210 HydrophobicContact CB-CB 4.42Å; I129-F210 HydrophobicContact CB-CD2 3.89Å; I129-F210 HydrophobicContact CB-CE2 4.38Å; I129-F210 HydrophobicContact CB-CG 4.18Å; I129-F210 HydrophobicContact CD1-CD2 4.18Å; I129-F210 HydrophobicContact CD1-CE2 4.08Å; I129-V212 HydrophobicContact CB-CG2 4.5Å; I129-V212 HydrophobicContact CG2-CG2 3.77Å
130T88.9Confident87.7Confident74 Ų7436.9 Ų36.945%0.45419%0.192SC..G310 helixtrans-66.1-26.6174.753.80000111.8S128 V132 S133S128-T130 WeakPolarHBondContact CB-OG1 3.48Å; S128-T130 PolarHBondContact O-N 3.45Å; S128-T130 PolarHBondContact OG-N 2.92Å; S128-T130 PolarHBondContact OG-OG1 3.23Å; T130-V132 PolarHBondContact O-N 3.42Å; T130-V132 VanDerWaalsContact O-N 3.16Å; T130-S133 WeakPolarHBondContact O-CB 3.2Å; T130-S133 PolarHBondContact O-N 3.29Å; T130-S133 PolarHBondContact O-OG 3.14Å
131D88.3Confident87.6Confident7 Ų741.6 Ų41.64%0.03723%0.225CC..G310 helixtrans-67.9-17.5-175.4-56.8-13.9000112.5Q35 L126 R127 S128 I129 S133 Y134Q35-D131 PolarHBondContact NE2-OD2 2.66Å; L126-D131 HydrophobicContact CD1-CB 4.29Å; L126-D131 HydrophobicContact CD2-CB 3.75Å; L126-D131 HydrophobicContact CG-CB 4.41Å; R127-D131 PolarHBondContact N-OD2 3.01Å; S128-D131 PolarHBondContact N-OD2 3.06Å; S128-D131 VanDerWaalsContact O-CB 3.26Å; S128-D131 WeakPolarHBondContact O-CB 3.45Å; S128-D131 PolarHBondContact O-N 3.12Å; S128-D131 VanDerWaalsContact O-N 3.14Å; I129-D131 PolarHBondContact O-N 2.8Å; D131-S133 PolarHBondContact O-N 3.41Å; D131-Y134 VanDerWaalsContact CA-CD2 3.48Å; D131-Y134 HydrophobicContact CB-CD2 3.7Å; D131-Y134 HydrophobicContact CB-CE2 3.68Å; D131-Y134 WeakPolarHBondContact O-CB 3.22Å; D131-Y134 VanDerWaalsContact O-CD2 3.27Å; D131-Y134 WeakPolarHBondContact O-CD2 3.43Å; D131-Y134 PolarHBondContact O-N 2.82Å; D131-Y134 VanDerWaalsContact O-N 3.15Å; D131-Y134 WeakPolarHBondContact OD1-CE2 3.34Å
132V90Very high87.5Confident1 Ų144 Ų441%0.00624%0.235CC..G310 helixtrans-55.3-32.3169.1176.60000111L123 L126 I129 T130 Y134 V135 I138 F168 H172L123-V132 HydrophobicContact CD2-CG2 4.23Å; L126-V132 HydrophobicContact CD1-CG2 3.66Å; I129-V132 HydrophobicContact CD1-CG2 4.16Å; I129-V132 WeakPolarHBondContact O-CB 3.34Å; I129-V132 WeakPolarHBondContact O-CG2 3.42Å; I129-V132 PolarHBondContact O-N 2.99Å; T130-V132 PolarHBondContact O-N 3.42Å; T130-V132 VanDerWaalsContact O-N 3.16Å; V132-Y134 VanDerWaalsContact C-N 3.28Å; V132-Y134 PolarHBondContact O-N 3.22Å; V132-V135 PolarHBondContact O-N 3.32Å; V132-I138 HydrophobicContact CG1-CD1 4.3Å; V132-I138 HydrophobicContact CG1-CG2 3.82Å; V132-F168 HydrophobicContact CG2-CD1 4.15Å; V132-H172 HydrophobicContact CB-CB 4.31Å; V132-H172 HydrophobicContact CG1-CB 4.16Å; V132-H172 HydrophobicContact CG2-CB 4.5Å
133S87.1Confident87.6Confident56 Ų5644 Ų4439%0.39224%0.235SC..G310 helixtrans-74.9-11.7-178.368.80000115N91 T130 D131 V135N91-S133 PolarHBondContact OD1-O 2.72Å; T130-S133 WeakPolarHBondContact O-CB 3.2Å; T130-S133 PolarHBondContact O-N 3.29Å; T130-S133 PolarHBondContact O-OG 3.14Å; D131-S133 PolarHBondContact O-N 3.41Å; S133-V135 PolarHBondContact O-N 2.56Å
134Y82.5Confident87.6Confident71 Ų7144.7 Ų44.728%0.27824%0.239SC..G310 helixtrans-67.1-15173.8-65.6-41.5000113Y87 N91 D131 V132Y87-Y134 HydrophobicContact CD2-CD2 4.33Å; Y87-Y134 AromaticContact CD2-CE2 3.7Å; Y87-Y134 HydrophobicContact CD2-CE2 3.7Å; N91-Y134 PolarHBondContact OD1-O 2.98Å; D131-Y134 VanDerWaalsContact CA-CD2 3.48Å; D131-Y134 HydrophobicContact CB-CD2 3.7Å; D131-Y134 HydrophobicContact CB-CE2 3.68Å; D131-Y134 WeakPolarHBondContact O-CB 3.22Å; D131-Y134 VanDerWaalsContact O-CD2 3.27Å; D131-Y134 WeakPolarHBondContact O-CD2 3.43Å; D131-Y134 PolarHBondContact O-N 2.82Å; D131-Y134 VanDerWaalsContact O-N 3.15Å; D131-Y134 WeakPolarHBondContact OD1-CE2 3.34Å; V132-Y134 VanDerWaalsContact C-N 3.28Å; V132-Y134 PolarHBondContact O-N 3.22Å
135V85.7Confident87.7Confident0 Ų048.3 Ų48.30%025%0.254CS..SBendtrans-119.190.9-179.7-176.20000108.6F83 V132 S133 W137 I138F83-V135 HydrophobicContact CB-CG2 4.24Å; F83-V135 HydrophobicContact CD1-CG2 3.56Å; F83-V135 HydrophobicContact CD2-CG2 3.73Å; F83-V135 HydrophobicContact CE1-CB 4.45Å; F83-V135 HydrophobicContact CE1-CG2 3.71Å; F83-V135 HydrophobicContact CE2-CG2 3.87Å; F83-V135 HydrophobicContact CG-CG2 3.57Å; F83-V135 HydrophobicContact CZ-CB 4.38Å; F83-V135 HydrophobicContact CZ-CG2 3.87Å; V132-V135 PolarHBondContact O-N 3.32Å; S133-V135 PolarHBondContact O-N 2.56Å; V135-W137 HydrophobicContact CG1-CD2 3.61Å; V135-W137 HydrophobicContact CG1-CE3 4.26Å; V135-W137 HydrophobicContact CG1-CG 4.03Å; V135-W137 HydrophobicContact CG1-CH2 4.02Å; V135-W137 HydrophobicContact CG1-CZ2 3.33Å; V135-W137 HydrophobicContact CG1-CZ3 4.44Å; V135-W137 PolarHBondContact O-N 3.4Å; V135-W137 VanDerWaalsContact O-N 3.12Å; V135-I138 HydrophobicContact CB-CB 4.45Å; V135-I138 HydrophobicContact CG1-CB 4.3Å; V135-I138 WeakPolarHBondContact O-CB 3.19Å; V135-I138 WeakPolarHBondContact O-CG2 3.2Å; V135-I138 PolarHBondContact O-N 3.31Å; V135-I138 VanDerWaalsContact O-N 3.1Å
136S81.5Confident88.1Confident62 Ų6248 Ų4843%0.43425%0.25SS..THydrogen-bonded Turntrans-61.8-24-170.659.40000114.9N139S136-N139 PolarHBondContact O-OD1 2.99Å
137W86.9Confident88.4Confident16 Ų1647.8 Ų47.86%0.06125%0.249CC..THydrogen-bonded Turntrans-82.1-12179.955.6-102.6000113.7V79 H97 V100 L119 V135 N139 S140 V143V79-W137 HydrophobicContact CG1-CH2 4.35Å; V79-W137 HydrophobicContact CG2-CH2 4.35Å; H97-W137 AromaticContact CD2-CD1 3.6Å; H97-W137 AromaticContact CD2-NE1 3.39Å; H97-W137 PolarHBondContact CD2-NE1 3Å; H97-W137 AromaticContact CG-CD1 3.75Å; H97-W137 AromaticContact CG-NE1 3.99Å; H97-W137 AromaticContact NE2-CD1 3.79Å; H97-W137 AromaticContact NE2-NE1 3.66Å; V100-W137 HydrophobicContact CB-CZ2 4.29Å; V100-W137 HydrophobicContact CG1-CD2 3.8Å; V100-W137 HydrophobicContact CG1-CE3 3.78Å; V100-W137 HydrophobicContact CG1-CH2 3.83Å; V100-W137 HydrophobicContact CG1-CZ2 3.8Å; V100-W137 HydrophobicContact CG1-CZ3 3.81Å; V100-W137 HydrophobicContact CG2-CH2 4.47Å; V100-W137 HydrophobicContact CG2-CZ2 3.94Å; L119-W137 HydrophobicContact CD1-CH2 3.99Å; L119-W137 HydrophobicContact CD1-CZ3 4.34Å; L119-W137 HydrophobicContact CD2-CZ3 4.31Å; V135-W137 HydrophobicContact CG1-CD2 3.61Å; V135-W137 HydrophobicContact CG1-CE3 4.26Å; V135-W137 HydrophobicContact CG1-CG 4.03Å; V135-W137 HydrophobicContact CG1-CH2 4.02Å; V135-W137 HydrophobicContact CG1-CZ2 3.33Å; V135-W137 HydrophobicContact CG1-CZ3 4.44Å; V135-W137 PolarHBondContact O-N 3.4Å; V135-W137 VanDerWaalsContact O-N 3.12Å; W137-N139 VanDerWaalsContact C-N 3.26Å; W137-N139 PolarHBondContact O-N 3.06Å; W137-S140 WeakPolarHBondContact O-CB 3.28Å; W137-S140 PolarHBondContact O-N 3.33Å; W137-S140 PolarHBondContact O-OG 2.73Å; W137-V143 HydrophobicContact CE3-CG2 4.06Å; W137-V143 HydrophobicContact CZ3-CG2 4.42Å; W137-V143 WeakPolarHBondContact O-CG2 3.34Å
138I89.4Confident88.8Confident3 Ų342.3 Ų42.32%0.01523%0.232CC..THydrogen-bonded Turntrans-63.2-31.1-171.3-158.2168.2000113.5F83 L119 L123 V132 V135 V143 I169F83-I138 HydrophobicContact CZ-CD1 3.89Å; L119-I138 HydrophobicContact CD1-CD1 3.72Å; L119-I138 HydrophobicContact CD1-CG1 4.19Å; L119-I138 HydrophobicContact CD2-CD1 4.41Å; L119-I138 HydrophobicContact CD2-CG1 4.18Å; L119-I138 HydrophobicContact CG-CD1 4.42Å; L123-I138 HydrophobicContact CD1-CD1 4.33Å; L123-I138 HydrophobicContact CD2-CD1 3.84Å; L123-I138 HydrophobicContact CG-CD1 4.44Å; V132-I138 HydrophobicContact CG1-CD1 4.3Å; V132-I138 HydrophobicContact CG1-CG2 3.82Å; V135-I138 HydrophobicContact CB-CB 4.45Å; V135-I138 HydrophobicContact CG1-CB 4.3Å; V135-I138 WeakPolarHBondContact O-CB 3.19Å; V135-I138 WeakPolarHBondContact O-CG2 3.2Å; V135-I138 PolarHBondContact O-N 3.31Å; V135-I138 VanDerWaalsContact O-N 3.1Å; I138-V143 VanDerWaalsContact O-CG1 3.27Å; I138-V143 WeakPolarHBondContact O-CG1 3.31Å; I138-I169 HydrophobicContact CG1-CD1 4.16Å; I138-I169 HydrophobicContact CG1-CG1 4.33Å; I138-I169 WeakPolarHBondContact O-CD1 3.34Å
139N86.3Confident88.8Confident68 Ų6842.9 Ų42.936%0.36424%0.244SC..THydrogen-bonded Turntrans-103.916.4177.666.2-1.9000112.3S136 W137 I169S136-N139 PolarHBondContact O-OD1 2.99Å; W137-N139 VanDerWaalsContact C-N 3.26Å; W137-N139 PolarHBondContact O-N 3.06Å; N139-I169 HydrophobicContact CB-CG2 4.34Å
140S88.7Confident88.8Confident34 Ų3443.1 Ų43.124%0.23825%0.245CC..SBendtrans-66.1153.1176.569.80000111.3W137 K142 V143 L144W137-S140 WeakPolarHBondContact O-CB 3.28Å; W137-S140 PolarHBondContact O-N 3.33Å; W137-S140 PolarHBondContact O-OG 2.73Å; S140-K142 PolarHBondContact O-N 3.02Å; S140-K142 VanDerWaalsContact O-N 3.17Å; S140-V143 PolarHBondContact O-N 3.18Å; S140-V143 VanDerWaalsContact O-N 3.09Å; S140-V143 WeakPolarHBondContact OG-CG2 3.4Å; S140-L144 PolarHBondContact O-N 3.18Å
141S88.4Confident88.9Confident98 Ų9839.9 Ų39.969%0.68523%0.226SC*.Hα-helixtrans-57.9-30.7178.555.90000113.3K145S141-K145 VanDerWaalsContact O-CB 3.27Å; S141-K145 WeakPolarHBondContact O-CB 3.37Å; S141-K145 PolarHBondContact O-N 3.39Å
142K89.4Confident88.8Confident86 Ų8647.6 Ų47.637%0.37426%0.259SS..Hα-helixtrans-65-46.9175.5-66.7-173.3-175.4179.50111.5L104 D105 S140 K145 L146L104-K142 HydrophobicContact CB-CB 4.36Å; L104-K142 HydrophobicContact CB-CD 4.19Å; L104-K142 HydrophobicContact CD1-CB 4.29Å; D105-K142 VanDerWaalsContact OD1-CE 3.27Å; D105-K142 WeakPolarHBondContact OD1-CE 3.29Å; D105-K142 IonicContact OD1-NZ 2.94Å; D105-K142 PolarHBondContact OD1-NZ 2.87Å; D105-K142 IonicContact OD2-NZ 3.21Å; D105-K142 PolarHBondContact OD2-NZ 3.34Å; S140-K142 PolarHBondContact O-N 3.02Å; S140-K142 VanDerWaalsContact O-N 3.17Å; K142-K145 PolarHBondContact O-N 2.91Å; K142-L146 WeakPolarHBondContact O-CB 3.13Å; K142-L146 PolarHBondContact O-N 2.96Å
143V91.3Very high88.7Confident2 Ų249.8 Ų49.81%0.01227%0.269CS..Hα-helixtrans-64.3-45.4177.4175.60000110.7L104 W137 I138 S140 K145 L146 L147L104-V143 HydrophobicContact CD1-CG2 3.73Å; L104-V143 HydrophobicContact CD2-CG2 4.03Å; W137-V143 HydrophobicContact CE3-CG2 4.06Å; W137-V143 HydrophobicContact CZ3-CG2 4.42Å; W137-V143 WeakPolarHBondContact O-CG2 3.34Å; I138-V143 VanDerWaalsContact O-CG1 3.27Å; I138-V143 WeakPolarHBondContact O-CG1 3.31Å; S140-V143 PolarHBondContact O-N 3.18Å; S140-V143 VanDerWaalsContact O-N 3.09Å; S140-V143 WeakPolarHBondContact OG-CG2 3.4Å; V143-K145 VanDerWaalsContact C-N 3.33Å; V143-K145 PolarHBondContact O-N 3.29Å; V143-L146 WeakPolarHBondContact O-CB 3.01Å; V143-L146 PolarHBondContact O-N 2.82Å; V143-L147 HydrophobicContact CG1-CD1 3.84Å; V143-L147 HydrophobicContact CG1-CG 4.23Å; V143-L147 VanDerWaalsContact O-CG 3.29Å; V143-L147 WeakPolarHBondContact O-CG 3.49Å; V143-L147 PolarHBondContact O-N 3.12Å
144L91.7Very high88.6Confident14 Ų1453.4 Ų53.47%0.07329%0.289CS..Hα-helixtrans-60.9-41.9178.5-65.7-177000112.1S140 L146 L147 Q148 I169 Q183 F186S140-L144 PolarHBondContact O-N 3.18Å; L144-L146 PolarHBondContact O-N 3.31Å; L144-L147 PolarHBondContact O-N 3.34Å; L144-Q148 WeakPolarHBondContact O-CB 3.48Å; L144-Q148 PolarHBondContact O-N 3.09Å; L144-I169 HydrophobicContact CD2-CG2 4.38Å; L144-Q183 HydrophobicContact CD1-CB 4.21Å; L144-Q183 HydrophobicContact CD1-CG 4.16Å; L144-F186 HydrophobicContact CD2-CE2 3.68Å; L144-F186 HydrophobicContact CD2-CZ 3.71Å
145K90.5Very high89Confident158 Ų15853.6 Ų53.669%0.68730%0.295SS*.Hα-helixtrans-64-39.8175.5-169.9179.5-178.5-174.10112.4S141 K142 V143 Q148 G149S141-K145 VanDerWaalsContact O-CB 3.27Å; S141-K145 WeakPolarHBondContact O-CB 3.37Å; S141-K145 PolarHBondContact O-N 3.39Å; K142-K145 PolarHBondContact O-N 2.91Å; V143-K145 VanDerWaalsContact C-N 3.33Å; V143-K145 PolarHBondContact O-N 3.29Å; K145-Q148 PolarHBondContact O-N 3.42Å; K145-G149 PolarHBondContact O-N 3.43Å
146L92.1Very high89.1Confident23 Ų2358.8 Ų58.812%0.1233%0.326CS..Hα-helixtrans-61.4-48.2173.7173.5147.1000111L104 D112 L115 I116 K142 V143 L144 Q148 G149 L150L104-L146 HydrophobicContact CD2-CD1 4.01Å; D112-L146 HydrophobicContact CB-CD1 3.91Å; D112-L146 WeakPolarHBondContact OD1-CD1 2.99Å; L115-L146 HydrophobicContact CD2-CD1 4.17Å; I116-L146 HydrophobicContact CG2-CD2 3.63Å; K142-L146 WeakPolarHBondContact O-CB 3.13Å; K142-L146 PolarHBondContact O-N 2.96Å; V143-L146 WeakPolarHBondContact O-CB 3.01Å; V143-L146 PolarHBondContact O-N 2.82Å; L144-L146 PolarHBondContact O-N 3.31Å; L146-Q148 VanDerWaalsContact C-N 3.32Å; L146-Q148 PolarHBondContact O-N 3.25Å; L146-G149 PolarHBondContact O-N 2.56Å; L146-G149 VanDerWaalsContact O-N 3.11Å; L146-L150 HydrophobicContact CD2-CD1 3.61Å; L146-L150 HydrophobicContact CG-CD1 4.02Å; L146-L150 WeakPolarHBondContact O-CG 3.48Å; L146-L150 PolarHBondContact O-N 3.33Å
147L93.7Very high89.3Confident1 Ų162.6 Ų62.61%0.00534%0.337CS..Hα-helixtrans-63.5-37.4179.1-66.5170.1000112.1I116 V143 L144 L150 S151 T162 I165 I169 P185I116-L147 HydrophobicContact CG2-CD2 4.38Å; V143-L147 HydrophobicContact CG1-CD1 3.84Å; V143-L147 HydrophobicContact CG1-CG 4.23Å; V143-L147 VanDerWaalsContact O-CG 3.29Å; V143-L147 WeakPolarHBondContact O-CG 3.49Å; V143-L147 PolarHBondContact O-N 3.12Å; L144-L147 PolarHBondContact O-N 3.34Å; L147-L150 CarbonylContact O-C 3.6Å; L147-L150 PolarHBondContact O-N 3.18Å; L147-S151 PolarHBondContact O-N 2.75Å; L147-T162 HydrophobicContact CB-CG2 4.44Å; L147-T162 HydrophobicContact CD2-CG2 3.99Å; L147-I165 HydrophobicContact CD1-CG2 3.68Å; L147-I165 HydrophobicContact CD2-CB 4.02Å; L147-I165 HydrophobicContact CD2-CD1 4.07Å; L147-I165 HydrophobicContact CD2-CG2 3.88Å; L147-I165 HydrophobicContact CG-CG2 4.42Å; L147-I169 HydrophobicContact CD1-CD1 3.88Å; L147-P185 HydrophobicContact CB-CG 4.24Å
148Q92.2Very high89.5Confident69 Ų6962.1 Ų62.132%0.32234%0.336SS..Hα-helixtrans-63.4-40.1172.7-172.4-169.420.600112.2L144 K145 L146 L150 S151 E184 P185L144-Q148 WeakPolarHBondContact O-CB 3.48Å; L144-Q148 PolarHBondContact O-N 3.09Å; K145-Q148 PolarHBondContact O-N 3.42Å; L146-Q148 VanDerWaalsContact C-N 3.32Å; L146-Q148 PolarHBondContact O-N 3.25Å; Q148-L150 VanDerWaalsContact C-N 3.3Å; Q148-L150 PolarHBondContact O-N 3.3Å; Q148-S151 PolarHBondContact O-OG 2.91Å; Q148-S151 VanDerWaalsContact O-OG 3.06Å; Q148-E184 VanDerWaalsContact CD-CB 3.48Å; Q148-E184 HydrophobicContact CG-CB 4.13Å; Q148-P185 HydrophobicContact CB-CB 4.27Å
149G89.5Confident89.6Confident52 Ų5264.8 Ų64.854%0.53635%0.347SS..Hα-helixtrans-61.5-41.7173.900000111.8K145 L146K145-G149 PolarHBondContact O-N 3.43Å; L146-G149 PolarHBondContact O-N 2.56Å; L146-G149 VanDerWaalsContact O-N 3.11Å
150L91Very high90Very high10 Ų1067.5 Ų67.55%0.05236%0.356CS..Hα-helixtrans-83.3-10.1-176.8-62174.2000114.3D112 I116 L146 L147 Q148 K152 E153 V158 T162D112-L150 HydrophobicContact CB-CD1 4.4Å; I116-L150 HydrophobicContact CD1-CD1 4.01Å; I116-L150 HydrophobicContact CG2-CD1 3.77Å; L146-L150 HydrophobicContact CD2-CD1 3.61Å; L146-L150 HydrophobicContact CG-CD1 4.02Å; L146-L150 WeakPolarHBondContact O-CG 3.48Å; L146-L150 PolarHBondContact O-N 3.33Å; L147-L150 CarbonylContact O-C 3.6Å; L147-L150 PolarHBondContact O-N 3.18Å; Q148-L150 VanDerWaalsContact C-N 3.3Å; Q148-L150 PolarHBondContact O-N 3.3Å; L150-K152 PolarHBondContact O-N 3.18Å; L150-E153 HydrophobicContact CD2-CG 3.9Å; L150-E153 WeakPolarHBondContact O-CB 3.26Å; L150-E153 PolarHBondContact O-N 3.13Å; L150-E153 VanDerWaalsContact O-N 3.15Å; L150-V158 HydrophobicContact CB-CG1 4.44Å; L150-V158 HydrophobicContact CD2-CG1 4.04Å; L150-T162 HydrophobicContact CB-CG2 4.15Å
151S89.8Confident90.2Very high7 Ų766.8 Ų66.85%0.04935%0.349CS..THydrogen-bonded Turntrans-64-21.1176.774.10000112.7L147 Q148 E188L147-S151 PolarHBondContact O-N 2.75Å; Q148-S151 PolarHBondContact O-OG 2.91Å; Q148-S151 VanDerWaalsContact O-OG 3.06Å; S151-E188 PolarHBondContact OG-OE1 3.13Å
152K87.4Confident90.5Very high169 Ų16962.1 Ų62.174%0.73532%0.317SS*.THydrogen-bonded Turntrans-97.44.3179.8-58.8178.3-174.4174.20113.6L150L150-K152 PolarHBondContact O-N 3.18Å
153E87.9Confident90.9Very high47 Ų4758.6 Ų58.622%0.2230%0.302CS..  trans-70.6141.9-180-86.2-67.6172.800112.3K109 L150 V158K109-E153 VanDerWaalsContact CE-OE1 3.31Å; K109-E153 WeakPolarHBondContact CE-OE1 3.45Å; K109-E153 IonicContact NZ-OE1 3.88Å; K109-E153 PolarHBondContact NZ-OE1 3.18Å; K109-E153 IonicContact NZ-OE2 2.8Å; L150-E153 HydrophobicContact CD2-CG 3.9Å; L150-E153 WeakPolarHBondContact O-CB 3.26Å; L150-E153 PolarHBondContact O-N 3.13Å; L150-E153 VanDerWaalsContact O-N 3.15Å; E153-V158 HydrophobicContact CB-CB 4.44Å; E153-V158 HydrophobicContact CB-CG1 3.81Å; E153-V158 HydrophobicContact CG-CG1 3.9Å
154T85.1Confident91.1Very high132 Ų13259 Ų5981%0.8130%0.304SS*.  trans-94.1-15.817954.10000112.2V156T154-V156 PolarHBondContact O-N 2.99Å
155N90Very high91.3Very high75 Ų7558.3 Ų58.340%0.40130%0.301SS..  trans-66.8118173.5-177.8-63.8000109.7H157 V158 F159N155-H157 VanDerWaalsContact C-N 3.29Å; N155-H157 PolarHBondContact O-N 3.4Å; N155-H157 WeakPolarHBondContact OD1-CB 3.49Å; N155-H157 PolarHBondContact OD1-N 2.91Å; N155-V158 HydrophobicContact CB-CB 4.08Å; N155-V158 HydrophobicContact CB-CG2 4.02Å; N155-V158 PolarHBondContact O-N 2.98Å; N155-V158 PolarHBondContact OD1-N 3.26Å; N155-V158 VanDerWaalsContact OD1-N 3.14Å; N155-F159 WeakPolarHBondContact O-CB 3.4Å; N155-F159 PolarHBondContact O-N 3.29Å
156V87.8Confident91.6Very high108 Ų10850.8 Ų50.866%0.65527%0.268SS*.Hα-helixtrans-58.7-37.8-174.4179.40000112.6T154 K160T154-V156 PolarHBondContact O-N 2.99Å; V156-K160 VanDerWaalsContact O-CB 3.25Å; V156-K160 WeakPolarHBondContact O-CB 3.43Å; V156-K160 PolarHBondContact O-N 3.35Å
157H86.1Confident91.8Very high143 Ų14349.7 Ų49.766%0.66226%0.262SS*.Hα-helixtrans-69.9-45.5-179.6-63.3-78.8000111.5N155 K160 N161N155-H157 VanDerWaalsContact C-N 3.29Å; N155-H157 PolarHBondContact O-N 3.4Å; N155-H157 WeakPolarHBondContact OD1-CB 3.49Å; N155-H157 PolarHBondContact OD1-N 2.91Å; H157-K160 PolarHBondContact O-N 3.29Å; H157-N161 WeakPolarHBondContact O-CB 3.42Å; H157-N161 PolarHBondContact O-N 3.45Å; H157-N161 PolarHBondContact O-ND2 3.09Å
158V90.7Very high91.9Very high5 Ų549.9 Ų49.93%0.0326%0.263CS..Hα-helixtrans-60.7-51.4175.7172.50000109.9I113 I116 L150 E153 N155 K160 N161 T162I113-V158 HydrophobicContact CD1-CG2 4.08Å; I113-V158 HydrophobicContact CG1-CG2 3.81Å; I113-V158 HydrophobicContact CG2-CG2 4.29Å; I116-V158 HydrophobicContact CD1-CB 4.22Å; I116-V158 HydrophobicContact CD1-CG1 3.72Å; I116-V158 HydrophobicContact CD1-CG2 4.45Å; L150-V158 HydrophobicContact CB-CG1 4.44Å; L150-V158 HydrophobicContact CD2-CG1 4.04Å; E153-V158 HydrophobicContact CB-CB 4.44Å; E153-V158 HydrophobicContact CB-CG1 3.81Å; E153-V158 HydrophobicContact CG-CG1 3.9Å; N155-V158 HydrophobicContact CB-CB 4.08Å; N155-V158 HydrophobicContact CB-CG2 4.02Å; N155-V158 PolarHBondContact O-N 2.98Å; N155-V158 PolarHBondContact OD1-N 3.26Å; N155-V158 VanDerWaalsContact OD1-N 3.14Å; V158-K160 PolarHBondContact O-N 2.93Å; V158-N161 PolarHBondContact O-N 3.47Å; V158-T162 PolarHBondContact O-N 3.12Å; V158-T162 PolarHBondContact O-OG1 2.94Å
159F92.2Very high92Very high59 Ų5946.6 Ų46.626%0.25925%0.248SC..Hα-helixtrans-54.5-49.6178180-93.9000112N155 N161 T162 V163 F195 E198N155-F159 WeakPolarHBondContact O-CB 3.4Å; N155-F159 PolarHBondContact O-N 3.29Å; F159-N161 PolarHBondContact O-N 3.26Å; F159-T162 WeakPolarHBondContact O-CB 3.47Å; F159-T162 PolarHBondContact O-N 3.01Å; F159-V163 HydrophobicContact CD1-CG2 4.14Å; F159-V163 HydrophobicContact CE1-CG2 3.75Å; F159-V163 HydrophobicContact CE2-CG2 4.46Å; F159-V163 HydrophobicContact CZ-CG2 3.92Å; F159-V163 WeakPolarHBondContact O-CG2 3.35Å; F159-V163 PolarHBondContact O-N 3.43Å; F159-F195 HydrophobicContact CD2-CD2 4.38Å; F159-F195 HydrophobicContact CE2-CB 4.45Å; F159-F195 AromaticContact CE2-CD2 3.69Å; F159-F195 HydrophobicContact CE2-CD2 3.69Å; F159-F195 HydrophobicContact CZ-CD2 4.14Å; F159-E198 HydrophobicContact CE1-CG 3.99Å; F159-E198 HydrophobicContact CZ-CB 4.43Å; F159-E198 HydrophobicContact CZ-CG 3.91Å
160K93.8Very high92.2Very high126 Ų12644.1 Ų44.155%0.54822%0.222SC..Hα-helixtrans-60.4-44.8179.7-174.5177.9-178.9178.40111.9V156 H157 V158 V163 I164V156-K160 VanDerWaalsContact O-CB 3.25Å; V156-K160 WeakPolarHBondContact O-CB 3.43Å; V156-K160 PolarHBondContact O-N 3.35Å; H157-K160 PolarHBondContact O-N 3.29Å; V158-K160 PolarHBondContact O-N 2.93Å; K160-V163 PolarHBondContact O-N 2.76Å; K160-I164 HydrophobicContact CG-CD1 4.06Å; K160-I164 VanDerWaalsContact O-CD1 3.31Å; K160-I164 WeakPolarHBondContact O-CD1 3.44Å; K160-I164 VanDerWaalsContact O-CG1 3.29Å; K160-I164 WeakPolarHBondContact O-CG1 3.38Å; K160-I164 PolarHBondContact O-N 2.98Å
161N94Very high92.4Very high19 Ų1943.7 Ų43.710%0.10222%0.22CC..Hα-helixtrans-64.4-41.9178.1-73-16.6000111.4I116 A120 H157 V158 F159 V163 I164 I165I116-N161 HydrophobicContact CB-CB 4.47Å; I116-N161 HydrophobicContact CD1-CB 4.05Å; I116-N161 HydrophobicContact CG1-CB 4.35Å; A120-N161 HydrophobicContact CB-CB 3.86Å; H157-N161 WeakPolarHBondContact O-CB 3.42Å; H157-N161 PolarHBondContact O-N 3.45Å; H157-N161 PolarHBondContact O-ND2 3.09Å; V158-N161 PolarHBondContact O-N 3.47Å; F159-N161 PolarHBondContact O-N 3.26Å; N161-V163 PolarHBondContact O-N 2.97Å; N161-I164 PolarHBondContact O-N 3.17Å; N161-I165 WeakPolarHBondContact O-CD1 3.31Å; N161-I165 VanDerWaalsContact O-CG1 3.29Å; N161-I165 WeakPolarHBondContact O-CG1 3.36Å; N161-I165 PolarHBondContact O-N 2.91Å
162T95.5Very high92.6Very high0 Ų044 Ų440%022%0.22CC..Hα-helixtrans-59.6-45.8174.5-54.40000111.7L147 L150 V158 F159 I164 I165 C166 F195L147-T162 HydrophobicContact CB-CG2 4.44Å; L147-T162 HydrophobicContact CD2-CG2 3.99Å; L150-T162 HydrophobicContact CB-CG2 4.15Å; V158-T162 PolarHBondContact O-N 3.12Å; V158-T162 PolarHBondContact O-OG1 2.94Å; F159-T162 WeakPolarHBondContact O-CB 3.47Å; F159-T162 PolarHBondContact O-N 3.01Å; T162-I164 VanDerWaalsContact C-N 3.33Å; T162-I164 PolarHBondContact O-N 3.37Å; T162-I165 PolarHBondContact O-N 2.77Å; T162-C166 WeakPolarHBondContact O-CB 3.44Å; T162-C166 PolarHBondContact O-N 3.43Å; T162-C166 PolarHBondContact O-SG 3.01Å; T162-F195 HydrophobicContact CG2-CE2 3.87Å; T162-F195 HydrophobicContact CG2-CZ 3.93Å
163V96.2Very high92.8Very high12 Ų1236.1 Ų36.17%0.07319%0.186CC..Hα-helixtrans-59-44.9176168.40000111F159 K160 N161 C166 A167 F195 E198 V199 L202F159-V163 HydrophobicContact CD1-CG2 4.14Å; F159-V163 HydrophobicContact CE1-CG2 3.75Å; F159-V163 HydrophobicContact CE2-CG2 4.46Å; F159-V163 HydrophobicContact CZ-CG2 3.92Å; F159-V163 WeakPolarHBondContact O-CG2 3.35Å; F159-V163 PolarHBondContact O-N 3.43Å; K160-V163 PolarHBondContact O-N 2.76Å; N161-V163 PolarHBondContact O-N 2.97Å; V163-C166 PolarHBondContact O-N 3.16Å; V163-A167 WeakPolarHBondContact O-CB 3.33Å; V163-A167 PolarHBondContact O-N 3.32Å; V163-F195 HydrophobicContact CG2-CD2 3.98Å; V163-F195 HydrophobicContact CG2-CE2 3.73Å; V163-E198 HydrophobicContact CG1-CB 4.01Å; V163-E198 HydrophobicContact CG2-CB 3.92Å; V163-V199 HydrophobicContact CG1-CG2 4.27Å; V163-V199 HydrophobicContact CG2-CG2 4.45Å; V163-L202 HydrophobicContact CG1-CB 4.42Å; V163-L202 HydrophobicContact CG1-CD2 4.15Å
164I95.7Very high92.9Very high10 Ų1035.4 Ų35.45%0.05118%0.184CC..Hα-helixtrans-57.7-54177.1-69.3154000110.7A120 K124 K160 N161 T162 C166 A167 F168 L202A120-I164 HydrophobicContact CB-CB 4.32Å; A120-I164 HydrophobicContact CB-CD1 4.45Å; A120-I164 HydrophobicContact CB-CG2 4.13Å; K124-I164 HydrophobicContact CG-CG2 4.4Å; K160-I164 HydrophobicContact CG-CD1 4.06Å; K160-I164 VanDerWaalsContact O-CD1 3.31Å; K160-I164 WeakPolarHBondContact O-CD1 3.44Å; K160-I164 VanDerWaalsContact O-CG1 3.29Å; K160-I164 WeakPolarHBondContact O-CG1 3.38Å; K160-I164 PolarHBondContact O-N 2.98Å; N161-I164 PolarHBondContact O-N 3.17Å; T162-I164 VanDerWaalsContact C-N 3.33Å; T162-I164 PolarHBondContact O-N 3.37Å; I164-C166 VanDerWaalsContact C-N 3.32Å; I164-C166 PolarHBondContact O-N 3.43Å; I164-A167 PolarHBondContact O-N 2.97Å; I164-F168 HydrophobicContact CG2-CD2 4.12Å; I164-F168 HydrophobicContact CG2-CE2 4.09Å; I164-F168 VanDerWaalsContact O-CD2 3.3Å; I164-F168 WeakPolarHBondContact O-CD2 3.23Å; I164-F168 PolarHBondContact O-N 3Å; I164-L202 VanDerWaalsContact CA-CD2 3.49Å; I164-L202 HydrophobicContact CB-CD2 4.14Å; I164-L202 HydrophobicContact CG1-CD2 3.73Å
165I95.9Very high93.2Very high0 Ų031.9 Ų31.90%016%0.162CC..Hα-helixtrans-60.7-46.3-177.3-62158.7000110.4I116 L119 A120 L123 L147 N161 T162 A167 F168 I169I116-I165 HydrophobicContact CB-CD1 3.59Å; I116-I165 HydrophobicContact CG2-CD1 3.82Å; I116-I165 WeakPolarHBondContact O-CD1 3.41Å; L119-I165 HydrophobicContact CB-CD1 4.1Å; L119-I165 HydrophobicContact CB-CG1 4.35Å; L119-I165 HydrophobicContact CD2-CD1 4.01Å; L119-I165 HydrophobicContact CD2-CG1 4.11Å; L119-I165 HydrophobicContact CD2-CG2 3.77Å; L119-I165 HydrophobicContact CG-CD1 4.19Å; L119-I165 HydrophobicContact CG-CG1 4.05Å; L119-I165 HydrophobicContact CG-CG2 4.4Å; A120-I165 HydrophobicContact CB-CD1 4.43Å; A120-I165 HydrophobicContact CB-CG1 4.2Å; L123-I165 HydrophobicContact CD1-CB 4.16Å; L123-I165 HydrophobicContact CD1-CG1 3.93Å; L123-I165 HydrophobicContact CD1-CG2 4.16Å; L147-I165 HydrophobicContact CD1-CG2 3.68Å; L147-I165 HydrophobicContact CD2-CB 4.02Å; L147-I165 HydrophobicContact CD2-CD1 4.07Å; L147-I165 HydrophobicContact CD2-CG2 3.88Å; L147-I165 HydrophobicContact CG-CG2 4.42Å; N161-I165 WeakPolarHBondContact O-CD1 3.31Å; N161-I165 VanDerWaalsContact O-CG1 3.29Å; N161-I165 WeakPolarHBondContact O-CG1 3.36Å; N161-I165 PolarHBondContact O-N 2.91Å; T162-I165 PolarHBondContact O-N 2.77Å; I165-A167 VanDerWaalsContact C-N 3.34Å; I165-A167 PolarHBondContact O-N 3.5Å; I165-F168 PolarHBondContact O-N 3.25Å; I165-I169 HydrophobicContact CG2-CD1 3.61Å; I165-I169 HydrophobicContact CG2-CG1 4.34Å; I165-I169 WeakPolarHBondContact O-CG1 3.29Å; I165-I169 PolarHBondContact O-N 3.16Å
166C96.4Very high93.2Very high0 Ų031.6 Ų31.60%016%0.161CC..Hα-helixtrans-61.4-41.4179.2-69.50000112.1T162 V163 I164 F168 I169 F170 F186 F195 V199T162-C166 WeakPolarHBondContact O-CB 3.44Å; T162-C166 PolarHBondContact O-N 3.43Å; T162-C166 PolarHBondContact O-SG 3.01Å; V163-C166 PolarHBondContact O-N 3.16Å; I164-C166 VanDerWaalsContact C-N 3.32Å; I164-C166 PolarHBondContact O-N 3.43Å; C166-F168 PolarHBondContact O-N 3.29Å; C166-I169 PolarHBondContact O-N 3.07Å; C166-F170 WeakPolarHBondContact O-CB 3.2Å; C166-F170 PolarHBondContact O-N 3.47Å; C166-F186 HydrophobicContact CB-CE1 4.1Å; C166-F195 HydrophobicContact CB-CZ 4.16Å; C166-V199 HydrophobicContact CB-CG1 4.22Å; C166-V199 HydrophobicContact CB-CG2 3.84Å
167A96.1Very high93.2Very high0 Ų033.9 Ų33.90%017%0.169CC..Hα-helixtrans-61.8-43.4178.900000112.3V163 I164 I165 L171 V199 L202 I203 L206V163-A167 WeakPolarHBondContact O-CB 3.33Å; V163-A167 PolarHBondContact O-N 3.32Å; I164-A167 PolarHBondContact O-N 2.97Å; I165-A167 VanDerWaalsContact C-N 3.34Å; I165-A167 PolarHBondContact O-N 3.5Å; A167-L171 VanDerWaalsContact O-CB 3.27Å; A167-L171 WeakPolarHBondContact O-CB 3.32Å; A167-L171 PolarHBondContact O-N 2.91Å; A167-V199 HydrophobicContact CB-CG1 4.18Å; A167-L202 HydrophobicContact CB-CB 3.92Å; A167-L202 HydrophobicContact CB-CD2 3.65Å; A167-L202 HydrophobicContact CB-CG 3.79Å; A167-I203 HydrophobicContact CB-CG1 3.95Å; A167-L206 HydrophobicContact CB-CD1 3.89Å
168F95.8Very high93.3Very high4 Ų433.4 Ų33.42%0.01817%0.165CC..Hα-helixtrans-65-48.3176.9-87.2-99000112.2L123 L126 I129 V132 I164 I165 C166 H172 L206 F210L123-F168 HydrophobicContact CB-CD1 4.14Å; L123-F168 HydrophobicContact CB-CD2 4.05Å; L123-F168 HydrophobicContact CB-CE1 4.21Å; L123-F168 HydrophobicContact CB-CE2 4.12Å; L123-F168 HydrophobicContact CB-CG 4.05Å; L123-F168 HydrophobicContact CB-CZ 4.2Å; L123-F168 HydrophobicContact CD1-CB 4.04Å; L123-F168 HydrophobicContact CD1-CD2 4.5Å; L123-F168 HydrophobicContact CD1-CG 4.26Å; L123-F168 HydrophobicContact CD2-CB 4.18Å; L123-F168 HydrophobicContact CD2-CD1 4.02Å; L123-F168 HydrophobicContact CD2-CG 4.16Å; L123-F168 HydrophobicContact CG-CG 4.39Å; L123-F168 WeakPolarHBondContact O-CE1 3.25Å; L123-F168 WeakPolarHBondContact O-CZ 3.35Å; L126-F168 HydrophobicContact CB-CE1 4.36Å; L126-F168 HydrophobicContact CD1-CD1 4.13Å; L126-F168 HydrophobicContact CD1-CE1 4.1Å; I129-F168 HydrophobicContact CD1-CD1 4.14Å; V132-F168 HydrophobicContact CG2-CD1 4.15Å; I164-F168 HydrophobicContact CG2-CD2 4.12Å; I164-F168 HydrophobicContact CG2-CE2 4.09Å; I164-F168 VanDerWaalsContact O-CD2 3.3Å; I164-F168 WeakPolarHBondContact O-CD2 3.23Å; I164-F168 PolarHBondContact O-N 3Å; I165-F168 PolarHBondContact O-N 3.25Å; C166-F168 PolarHBondContact O-N 3.29Å; F168-H172 VanDerWaalsContact O-CB 3.23Å; F168-H172 WeakPolarHBondContact O-CB 3.48Å; F168-H172 PolarHBondContact O-N 3.49Å; F168-L206 HydrophobicContact CD1-CD1 4.48Å; F168-L206 HydrophobicContact CD2-CD1 3.6Å; F168-L206 HydrophobicContact CD2-CD2 4.24Å; F168-L206 HydrophobicContact CE1-CD2 4.24Å; F168-L206 HydrophobicContact CE2-CD1 3.79Å; F168-L206 HydrophobicContact CE2-CD2 3.53Å; F168-L206 HydrophobicContact CE2-CG 4.3Å; F168-L206 HydrophobicContact CG-CD1 4Å; F168-L206 HydrophobicContact CZ-CD1 4.3Å; F168-L206 HydrophobicContact CZ-CD2 3.52Å; F168-F210 HydrophobicContact CD1-CE2 4.3Å; F168-F210 AromaticContact CE1-CE2 3.64Å; F168-F210 HydrophobicContact CE1-CE2 3.64Å; F168-F210 AromaticContact CE1-CZ 3.64Å; F168-F210 HydrophobicContact CE1-CZ 3.64Å; F168-F210 HydrophobicContact CZ-CE2 4.18Å; F168-F210 HydrophobicContact CZ-CZ 4.18Å
169I95Very high93.1Very high1 Ų136.2 Ų36.21%0.00518%0.18CC..Hα-helixtrans-65.6-44.8-179.5-61.9170.3000110.1I138 N139 L144 L147 I165 C166 H172 L173 F186I138-I169 HydrophobicContact CG1-CD1 4.16Å; I138-I169 HydrophobicContact CG1-CG1 4.33Å; I138-I169 WeakPolarHBondContact O-CD1 3.34Å; N139-I169 HydrophobicContact CB-CG2 4.34Å; L144-I169 HydrophobicContact CD2-CG2 4.38Å; L147-I169 HydrophobicContact CD1-CD1 3.88Å; I165-I169 HydrophobicContact CG2-CD1 3.61Å; I165-I169 HydrophobicContact CG2-CG1 4.34Å; I165-I169 WeakPolarHBondContact O-CG1 3.29Å; I165-I169 PolarHBondContact O-N 3.16Å; C166-I169 PolarHBondContact O-N 3.07Å; I169-H172 PolarHBondContact O-N 3.44Å; I169-L173 HydrophobicContact CG2-CD1 3.77Å; I169-L173 HydrophobicContact CG2-CG 4.21Å; I169-L173 WeakPolarHBondContact O-CB 3.45Å; I169-L173 VanDerWaalsContact O-CG 3.27Å; I169-L173 WeakPolarHBondContact O-CG 3.36Å; I169-L173 PolarHBondContact O-N 3.39Å; I169-F186 HydrophobicContact CB-CZ 3.88Å; I169-F186 HydrophobicContact CG2-CE2 3.94Å; I169-F186 HydrophobicContact CG2-CZ 3.52Å
170F94.6Very high92.7Very high0 Ų037.6 Ų37.60%019%0.19CC..Hα-helixtrans-63.5-47-178.5-171.2-131.3000111.5C166 H172 L173 L174 L179 F186 C189 V199 L200 I203 L217C166-F170 WeakPolarHBondContact O-CB 3.2Å; C166-F170 PolarHBondContact O-N 3.47Å; F170-H172 VanDerWaalsContact C-N 3.35Å; F170-H172 PolarHBondContact O-N 3.13Å; F170-L173 PolarHBondContact O-N 2.89Å; F170-L174 HydrophobicContact CD1-CD1 3.95Å; F170-L174 HydrophobicContact CD2-CD1 4.4Å; F170-L174 HydrophobicContact CD2-CG 4.43Å; F170-L174 HydrophobicContact CE1-CD1 3.62Å; F170-L174 HydrophobicContact CE2-CD1 4.17Å; F170-L174 HydrophobicContact CE2-CG 4.23Å; F170-L174 HydrophobicContact CG-CD1 4.29Å; F170-L174 HydrophobicContact CZ-CD1 3.74Å; F170-L174 HydrophobicContact CZ-CD2 4.46Å; F170-L174 HydrophobicContact CZ-CG 4.25Å; F170-L174 WeakPolarHBondContact O-CB 3.18Å; F170-L174 WeakPolarHBondContact O-CG 3.17Å; F170-L174 PolarHBondContact O-N 3.25Å; F170-L179 HydrophobicContact CD2-CD1 3.54Å; F170-L179 HydrophobicContact CD2-CD2 4.45Å; F170-L179 HydrophobicContact CE2-CD1 3.37Å; F170-L179 HydrophobicContact CE2-CD2 3.5Å; F170-L179 HydrophobicContact CE2-CG 4.07Å; F170-L179 HydrophobicContact CZ-CD2 4.11Å; F170-F186 HydrophobicContact CB-CD1 3.71Å; F170-F186 HydrophobicContact CB-CE1 3.74Å; F170-F186 HydrophobicContact CB-CG 4.35Å; F170-F186 HydrophobicContact CB-CZ 4.38Å; F170-F186 HydrophobicContact CD2-CB 3.57Å; F170-F186 AromaticContact CD2-CD1 3.66Å; F170-F186 HydrophobicContact CD2-CD1 3.66Å; F170-F186 HydrophobicContact CD2-CD2 4.07Å; F170-F186 HydrophobicContact CD2-CE1 4.42Å; F170-F186 AromaticContact CD2-CG 3.48Å; F170-F186 HydrophobicContact CD2-CG 3.48Å; F170-F186 VanDerWaalsContact CD2-CG 3.48Å; F170-F186 HydrophobicContact CE2-CB 3.65Å; F170-F186 HydrophobicContact CE2-CG 4.1Å; F170-F186 HydrophobicContact CG-CB 4.49Å; F170-F186 AromaticContact CG-CD1 3.88Å; F170-F186 HydrophobicContact CG-CD1 3.88Å; F170-F186 HydrophobicContact CG-CE1 4.41Å; F170-F186 HydrophobicContact CG-CG 4.19Å; F170-C189 HydrophobicContact CD1-CB 4.34Å; F170-C189 HydrophobicContact CE1-CB 3.72Å; F170-C189 HydrophobicContact CZ-CB 3.92Å; F170-V199 HydrophobicContact CD1-CG1 4.39Å; F170-L200 HydrophobicContact CE1-CD2 3.9Å; F170-I203 HydrophobicContact CB-CD1 4.11Å; F170-I203 HydrophobicContact CD1-CD1 3.3Å; F170-I203 HydrophobicContact CE1-CD1 4.12Å; F170-I203 HydrophobicContact CG-CD1 4.13Å; F170-L217 HydrophobicContact CE1-CD2 4.42Å; F170-L217 HydrophobicContact CZ-CD2 4.43Å
171L94.2Very high91.8Very high0 Ų035.2 Ų35.20%019%0.194CC..Hα-helixtrans-61.1-44174.9-179.360.4000111.5I129 A167 L173 L174 V175 I203 L206 I207 F214I129-L171 HydrophobicContact CD1-CB 4.28Å; I129-L171 HydrophobicContact CD1-CD2 4.01Å; I129-L171 HydrophobicContact CD1-CG 4.18Å; I129-L171 HydrophobicContact CG1-CD2 4.18Å; I129-L171 HydrophobicContact CG1-CG 4.11Å; A167-L171 VanDerWaalsContact O-CB 3.27Å; A167-L171 WeakPolarHBondContact O-CB 3.32Å; A167-L171 PolarHBondContact O-N 2.91Å; L171-L173 VanDerWaalsContact C-N 3.33Å; L171-L173 PolarHBondContact O-N 2.82Å; L171-L174 PolarHBondContact O-N 2.89Å; L171-V175 HydrophobicContact CD1-CG2 3.82Å; L171-V175 HydrophobicContact CG-CG2 4.25Å; L171-V175 WeakPolarHBondContact O-CB 3.4Å; L171-V175 WeakPolarHBondContact O-CG2 3.38Å; L171-V175 PolarHBondContact O-N 3.36Å; L171-I203 HydrophobicContact CB-CD1 4.34Å; L171-I203 HydrophobicContact CB-CG1 4.25Å; L171-I203 HydrophobicContact CD1-CG2 4.24Å; L171-L206 HydrophobicContact CD2-CB 3.63Å; L171-L206 HydrophobicContact CD2-CD1 4.49Å; L171-I207 HydrophobicContact CD1-CG1 3.88Å; L171-I207 HydrophobicContact CD2-CG1 4.27Å; L171-F214 HydrophobicContact CD1-CD2 3.81Å; L171-F214 HydrophobicContact CD1-CE2 4.08Å
172H93.8Very high91.1Very high13 Ų1338.6 Ų38.66%0.0622%0.219CC..Hα-helixtrans-59-43.1176.5176.980.6000112.1I129 V132 F168 I169 F170 N176I129-H172 HydrophobicContact CD1-CB 4.34Å; I129-H172 HydrophobicContact CG1-CB 4.21Å; I129-H172 PolarHBondContact O-ND1 2.73Å; V132-H172 HydrophobicContact CB-CB 4.31Å; V132-H172 HydrophobicContact CG1-CB 4.16Å; V132-H172 HydrophobicContact CG2-CB 4.5Å; F168-H172 VanDerWaalsContact O-CB 3.23Å; F168-H172 WeakPolarHBondContact O-CB 3.48Å; F168-H172 PolarHBondContact O-N 3.49Å; I169-H172 PolarHBondContact O-N 3.44Å; F170-H172 VanDerWaalsContact C-N 3.35Å; F170-H172 PolarHBondContact O-N 3.13Å; H172-N176 PolarHBondContact CE1-ND2 3.46Å; H172-N176 PolarHBondContact ND1-ND2 3.16Å; H172-N176 PolarHBondContact NE2-ND2 3.26Å; H172-N176 WeakPolarHBondContact O-CB 3.44Å; H172-N176 PolarHBondContact O-N 3.3Å; H172-N176 PolarHBondContact O-ND2 2.88Å
173L92.2Very high90.6Very high4 Ų440.4 Ų40.42%0.02123%0.227CC..Hα-helixtrans-69.3-40.3178.7-69.9172.5000112.3I169 F170 L171 N176 N177 K178 L179 F186I169-L173 HydrophobicContact CG2-CD1 3.77Å; I169-L173 HydrophobicContact CG2-CG 4.21Å; I169-L173 WeakPolarHBondContact O-CB 3.45Å; I169-L173 VanDerWaalsContact O-CG 3.27Å; I169-L173 WeakPolarHBondContact O-CG 3.36Å; I169-L173 PolarHBondContact O-N 3.39Å; F170-L173 PolarHBondContact O-N 2.89Å; L171-L173 VanDerWaalsContact C-N 3.33Å; L171-L173 PolarHBondContact O-N 2.82Å; L173-N176 PolarHBondContact O-N 3.15Å; L173-N177 PolarHBondContact O-N 2.91Å; L173-N177 VanDerWaalsContact O-N 3.16Å; L173-K178 HydrophobicContact CD2-CB 3.94Å; L173-K178 PolarHBondContact O-N 3.25Å; L173-L179 HydrophobicContact CB-CD1 4.42Å; L173-F186 HydrophobicContact CD1-CD2 4.1Å; L173-F186 HydrophobicContact CD1-CE2 3.55Å; L173-F186 HydrophobicContact CD1-CZ 4.38Å
174L90.8Very high90Very high33 Ų3342.7 Ų42.717%0.17324%0.237CC..Hα-helixtrans-61.6-51.8176.9-79.2172.9000111.5F170 L171 N176 N177 L179 F214 L217F170-L174 HydrophobicContact CD1-CD1 3.95Å; F170-L174 HydrophobicContact CD2-CD1 4.4Å; F170-L174 HydrophobicContact CD2-CG 4.43Å; F170-L174 HydrophobicContact CE1-CD1 3.62Å; F170-L174 HydrophobicContact CE2-CD1 4.17Å; F170-L174 HydrophobicContact CE2-CG 4.23Å; F170-L174 HydrophobicContact CG-CD1 4.29Å; F170-L174 HydrophobicContact CZ-CD1 3.74Å; F170-L174 HydrophobicContact CZ-CD2 4.46Å; F170-L174 HydrophobicContact CZ-CG 4.25Å; F170-L174 WeakPolarHBondContact O-CB 3.18Å; F170-L174 WeakPolarHBondContact O-CG 3.17Å; F170-L174 PolarHBondContact O-N 3.25Å; L171-L174 PolarHBondContact O-N 2.89Å; L174-N176 PolarHBondContact O-N 3.07Å; L174-N177 PolarHBondContact O-N 3.34Å; L174-L179 HydrophobicContact CD2-CB 4.35Å; L174-L179 HydrophobicContact CD2-CD2 3.74Å; L174-L179 HydrophobicContact CG-CD2 4.49Å; L174-F214 HydrophobicContact CB-CE2 4.46Å; L174-F214 HydrophobicContact CD1-CE2 3.68Å; L174-F214 HydrophobicContact CD1-CZ 4.06Å; L174-L217 HydrophobicContact CD2-CD1 4.28Å
175V90.5Very high89.6Confident57 Ų5742.2 Ų42.235%0.34524%0.235SC..Hα-helixtrans-60.5-30.4-179.1173.10000111.9L171 V212L171-V175 HydrophobicContact CD1-CG2 3.82Å; L171-V175 HydrophobicContact CG-CG2 4.25Å; L171-V175 WeakPolarHBondContact O-CB 3.4Å; L171-V175 WeakPolarHBondContact O-CG2 3.38Å; L171-V175 PolarHBondContact O-N 3.36Å; V175-V212 HydrophobicContact CB-CG1 4.41Å; V175-V212 HydrophobicContact CG1-CG1 3.99Å; V175-V212 HydrophobicContact CG2-CG1 3.47Å; V175-V212 VanDerWaalsContact CG2-CG1 3.47Å
176N89.2Confident89.4Confident70 Ų7042.4 Ų42.437%0.37424%0.235SC..THydrogen-bonded Turntrans-92.64.7178.4-71.9-64000114.2H172 L173 L174 K178H172-N176 PolarHBondContact CE1-ND2 3.46Å; H172-N176 PolarHBondContact ND1-ND2 3.16Å; H172-N176 PolarHBondContact NE2-ND2 3.26Å; H172-N176 WeakPolarHBondContact O-CB 3.44Å; H172-N176 PolarHBondContact O-N 3.3Å; H172-N176 PolarHBondContact O-ND2 2.88Å; L173-N176 PolarHBondContact O-N 3.15Å; L174-N176 PolarHBondContact O-N 3.07Å; N176-K178 HydrophobicContact CB-CD 4.16Å; N176-K178 HydrophobicContact CB-CG 4.27Å; N176-K178 PolarHBondContact O-N 3.15Å
177N88.1Confident89.1Confident156 Ų15644.3 Ų44.383%0.83425%0.246SC*.THydrogen-bonded Turntrans51.741.4-174.7-68.2-39.6000113.4L173 L174L173-N177 PolarHBondContact O-N 2.91Å; L173-N177 VanDerWaalsContact O-N 3.16Å; L174-N177 PolarHBondContact O-N 3.34Å
178K89.4Confident88.9Confident133 Ų13345.7 Ų45.758%0.57825%0.252SS*.  trans-11612.1-178.4-73.3179.1-176176.70113.7L173 N176 Q183L173-K178 HydrophobicContact CD2-CB 3.94Å; L173-K178 PolarHBondContact O-N 3.25Å; N176-K178 HydrophobicContact CB-CD 4.16Å; N176-K178 HydrophobicContact CB-CG 4.27Å; N176-K178 PolarHBondContact O-N 3.15Å; K178-Q183 PolarHBondContact O-NE2 2.88Å
179L85.8Confident88.8Confident63 Ų6345.6 Ų45.633%0.3325%0.252SS..  trans-72.9130.6176.5-170.673.5000110.5F170 L173 L174 F186F170-L179 HydrophobicContact CD2-CD1 3.54Å; F170-L179 HydrophobicContact CD2-CD2 4.45Å; F170-L179 HydrophobicContact CE2-CD1 3.37Å; F170-L179 HydrophobicContact CE2-CD2 3.5Å; F170-L179 HydrophobicContact CE2-CG 4.07Å; F170-L179 HydrophobicContact CZ-CD2 4.11Å; L173-L179 HydrophobicContact CB-CD1 4.42Å; L174-L179 HydrophobicContact CD2-CB 4.35Å; L174-L179 HydrophobicContact CD2-CD2 3.74Å; L174-L179 HydrophobicContact CG-CD2 4.49Å; L179-F186 HydrophobicContact CD1-CB 4.12Å; L179-F186 HydrophobicContact CD1-CD2 4.02Å; L179-F186 HydrophobicContact CD1-CG 4.34Å
180D82.9Confident88.6Confident89 Ų8947 Ų4748%0.47626%0.26SS..  trans-126.6142.1179.5-174.8-46.9000109.9S182 Q183D180-S182 PolarHBondContact O-N 3.36Å; D180-S182 VanDerWaalsContact O-N 3.12Å; D180-S182 WeakPolarHBondContact OD1-CB 3.42Å; D180-S182 PolarHBondContact OD1-N 2.95Å; D180-S182 PolarHBondContact OD1-OG 3.4Å; D180-Q183 HydrophobicContact CB-CG 4.09Å; D180-Q183 WeakPolarHBondContact O-CB 3.31Å; D180-Q183 PolarHBondContact O-N 3.38Å
181A75.7Confident88.4Confident76 Ų7651 Ų5163%0.62828%0.279SS*.THydrogen-bonded Turntrans-60.5-18.6178.800000114.2Q183 N187A181-Q183 VanDerWaalsContact C-N 3.31Å; A181-N187 PolarHBondContact O-ND2 3.18Å; A181-N187 PolarHBondContact O-OD1 3.38Å
182S79.7Confident88.4Confident90 Ų9051 Ų5163%0.62928%0.279SS*.THydrogen-bonded Turntrans-78.9-11.8174.659.70000113.9D180 E184D180-S182 PolarHBondContact O-N 3.36Å; D180-S182 VanDerWaalsContact O-N 3.12Å; D180-S182 WeakPolarHBondContact OD1-CB 3.42Å; D180-S182 PolarHBondContact OD1-N 2.95Å; D180-S182 PolarHBondContact OD1-OG 3.4Å; S182-E184 VanDerWaalsContact C-N 3.28Å; S182-E184 PolarHBondContact O-N 3.36Å
183Q84.5Confident88.3Confident37 Ų3751.8 Ų51.817%0.17329%0.286CS..  trans-84.166.8-176.6-64169.1-25.700111.6L144 K178 D180 A181 F186L144-Q183 HydrophobicContact CD1-CB 4.21Å; L144-Q183 HydrophobicContact CD1-CG 4.16Å; K178-Q183 PolarHBondContact O-NE2 2.88Å; D180-Q183 HydrophobicContact CB-CG 4.09Å; D180-Q183 WeakPolarHBondContact O-CB 3.31Å; D180-Q183 PolarHBondContact O-N 3.38Å; A181-Q183 VanDerWaalsContact C-N 3.31Å; Q183-F186 HydrophobicContact CB-CD2 3.8Å; Q183-F186 HydrophobicContact CB-CE2 4.33Å; Q183-F186 WeakPolarHBondContact O-CB 3.44Å; Q183-F186 WeakPolarHBondContact O-CD2 3.05Å; Q183-F186 PolarHBondContact O-N 3.41Å
184E83.2Confident88.3Confident60 Ų6054.5 Ų54.528%0.2831%0.309SS..THydrogen-bonded Turntrans-56.1129.5160.1-66.5-67.9162.100108.8Q148 S182 N187Q148-E184 VanDerWaalsContact CD-CB 3.48Å; Q148-E184 HydrophobicContact CG-CB 4.13Å; S182-E184 VanDerWaalsContact C-N 3.28Å; S182-E184 PolarHBondContact O-N 3.36Å; E184-N187 WeakPolarHBondContact OE1-CB 3.21Å; E184-N187 PolarHBondContact OE1-ND2 3.17Å
185P88.7Confident88.5Confident0 Ų053.3 Ų53.30%030%0.302CS..THydrogen-bonded Turncis-96.65.723.636.7-36.4000116L147 Q148 N187 E188 F195L147-P185 HydrophobicContact CB-CG 4.24Å; Q148-P185 HydrophobicContact CB-CB 4.27Å; P185-N187 PolarHBondContact O-N 3.34Å; P185-E188 VanDerWaalsContact O-CB 3.26Å; P185-E188 WeakPolarHBondContact O-CB 3.4Å; P185-E188 WeakPolarHBondContact O-CG 3.47Å; P185-E188 PolarHBondContact O-N 3.43Å; P185-F195 HydrophobicContact CB-CE1 4.11Å; P185-F195 HydrophobicContact CG-CE1 4.43Å
186F91.8Very high88.7Confident4 Ų450.6 Ų50.62%0.01829%0.286CS..THydrogen-bonded Turntrans-71-16.7-168.4-54.9-44.9000114.4L144 C166 I169 F170 L173 L179 Q183 E188 C189L144-F186 HydrophobicContact CD2-CE2 3.68Å; L144-F186 HydrophobicContact CD2-CZ 3.71Å; C166-F186 HydrophobicContact CB-CE1 4.1Å; I169-F186 HydrophobicContact CB-CZ 3.88Å; I169-F186 HydrophobicContact CG2-CE2 3.94Å; I169-F186 HydrophobicContact CG2-CZ 3.52Å; F170-F186 HydrophobicContact CB-CD1 3.71Å; F170-F186 HydrophobicContact CB-CE1 3.74Å; F170-F186 HydrophobicContact CB-CG 4.35Å; F170-F186 HydrophobicContact CB-CZ 4.38Å; F170-F186 HydrophobicContact CD2-CB 3.57Å; F170-F186 AromaticContact CD2-CD1 3.66Å; F170-F186 HydrophobicContact CD2-CD1 3.66Å; F170-F186 HydrophobicContact CD2-CD2 4.07Å; F170-F186 HydrophobicContact CD2-CE1 4.42Å; F170-F186 AromaticContact CD2-CG 3.48Å; F170-F186 HydrophobicContact CD2-CG 3.48Å; F170-F186 VanDerWaalsContact CD2-CG 3.48Å; F170-F186 HydrophobicContact CE2-CB 3.65Å; F170-F186 HydrophobicContact CE2-CG 4.1Å; F170-F186 HydrophobicContact CG-CB 4.49Å; F170-F186 AromaticContact CG-CD1 3.88Å; F170-F186 HydrophobicContact CG-CD1 3.88Å; F170-F186 HydrophobicContact CG-CE1 4.41Å; F170-F186 HydrophobicContact CG-CG 4.19Å; L173-F186 HydrophobicContact CD1-CD2 4.1Å; L173-F186 HydrophobicContact CD1-CE2 3.55Å; L173-F186 HydrophobicContact CD1-CZ 4.38Å; L179-F186 HydrophobicContact CD1-CB 4.12Å; L179-F186 HydrophobicContact CD1-CD2 4.02Å; L179-F186 HydrophobicContact CD1-CG 4.34Å; Q183-F186 HydrophobicContact CB-CD2 3.8Å; Q183-F186 HydrophobicContact CB-CE2 4.33Å; Q183-F186 WeakPolarHBondContact O-CB 3.44Å; Q183-F186 WeakPolarHBondContact O-CD2 3.05Å; Q183-F186 PolarHBondContact O-N 3.41Å; F186-E188 PolarHBondContact O-N 3.39Å; F186-C189 VanDerWaalsContact O-CB 3.31Å; F186-C189 WeakPolarHBondContact O-CB 3.39Å; F186-C189 PolarHBondContact O-N 2.87Å
187N89.3Confident88.9Confident40 Ų4047.3 Ų47.321%0.21427%0.268CS..Hα-helixtrans-56.4-35168.2-77.3-22000111.5A181 E184 P185 C189 V190 Q191A181-N187 PolarHBondContact O-ND2 3.18Å; A181-N187 PolarHBondContact O-OD1 3.38Å; E184-N187 WeakPolarHBondContact OE1-CB 3.21Å; E184-N187 PolarHBondContact OE1-ND2 3.17Å; P185-N187 PolarHBondContact O-N 3.34Å; N187-C189 PolarHBondContact O-N 3.03Å; N187-V190 PolarHBondContact O-N 2.76Å; N187-Q191 WeakPolarHBondContact O-CG 3.08Å; N187-Q191 PolarHBondContact O-N 3.02Å
188E91.7Very high89.3Confident30 Ų3042.2 Ų42.214%0.1424%0.239CC..Hα-helixtrans-59.3-31.2176.9-65.6-161.5-12800113.3S151 P185 F186 Q191 L192 S193 F195S151-E188 PolarHBondContact OG-OE1 3.13Å; P185-E188 VanDerWaalsContact O-CB 3.26Å; P185-E188 WeakPolarHBondContact O-CB 3.4Å; P185-E188 WeakPolarHBondContact O-CG 3.47Å; P185-E188 PolarHBondContact O-N 3.43Å; F186-E188 PolarHBondContact O-N 3.39Å; E188-Q191 PolarHBondContact O-N 3.28Å; E188-L192 PolarHBondContact O-N 3.24Å; E188-S193 WeakPolarHBondContact CB-OG 3.4Å; E188-S193 PolarHBondContact O-N 2.95Å; E188-S193 VanDerWaalsContact O-N 3.07Å; E188-S193 PolarHBondContact OE2-OG 3.5Å; E188-F195 HydrophobicContact CB-CD1 4.14Å
189C93.3Very high89.6Confident1 Ų135.9 Ų35.91%0.00721%0.212CC..Hα-helixtrans-67.8-42.7175.1-590000111F170 F186 N187 Q191 L192 L200F170-C189 HydrophobicContact CD1-CB 4.34Å; F170-C189 HydrophobicContact CE1-CB 3.72Å; F170-C189 HydrophobicContact CZ-CB 3.92Å; F186-C189 VanDerWaalsContact O-CB 3.31Å; F186-C189 WeakPolarHBondContact O-CB 3.39Å; F186-C189 PolarHBondContact O-N 2.87Å; N187-C189 PolarHBondContact O-N 3.03Å; C189-Q191 VanDerWaalsContact C-N 3.29Å; C189-Q191 PolarHBondContact O-N 3.46Å; C189-L192 PolarHBondContact O-N 2.96Å; C189-L200 HydrophobicContact CB-CD1 4.43Å; C189-L200 HydrophobicContact CB-CD2 4.24Å; C189-L200 HydrophobicContact CB-CG 4.15Å
190V90.8Very high90Very high31 Ų3132.9 Ų32.919%0.18820%0.196CC..Hα-helixtrans-70.6-28.3178.5-175.60000111.7N187 L192 P220N187-V190 PolarHBondContact O-N 2.76Å; V190-L192 VanDerWaalsContact C-N 3.27Å; V190-L192 PolarHBondContact O-N 2.69Å; V190-P220 HydrophobicContact CG1-CG 3.7Å
191Q91.4Very high90.5Very high83 Ų8329 Ų2939%0.38818%0.175SC..THydrogen-bonded Turntrans-80.4-5.9176.3-62.3-177.1900113.7N187 E188 C189 S193 F223N187-Q191 WeakPolarHBondContact O-CG 3.08Å; N187-Q191 PolarHBondContact O-N 3.02Å; E188-Q191 PolarHBondContact O-N 3.28Å; C189-Q191 VanDerWaalsContact C-N 3.29Å; C189-Q191 PolarHBondContact O-N 3.46Å; Q191-S193 PolarHBondContact O-N 2.94Å; Q191-F223 HydrophobicContact CB-CD1 4.32Å; Q191-F223 HydrophobicContact CB-CD2 4.43Å; Q191-F223 HydrophobicContact CB-CE1 4.05Å; Q191-F223 HydrophobicContact CB-CE2 4.14Å; Q191-F223 HydrophobicContact CB-CG 4.47Å; Q191-F223 HydrophobicContact CB-CZ 3.9Å; Q191-F223 HydrophobicContact CG-CD2 4.22Å; Q191-F223 HydrophobicContact CG-CE1 4.07Å; Q191-F223 HydrophobicContact CG-CE2 3.54Å; Q191-F223 HydrophobicContact CG-CZ 3.4Å; Q191-F223 VanDerWaalsContact CG-CZ 3.4Å
192L93.1Very high91.4Very high2 Ų226.7 Ų26.71%0.0115%0.152CC..THydrogen-bonded Turntrans51.640.2-171-53.7-178.3000112.2E188 C189 V190 L200 I219 F223 F225 F233 L241 V250E188-L192 PolarHBondContact O-N 3.24Å; C189-L192 PolarHBondContact O-N 2.96Å; V190-L192 VanDerWaalsContact C-N 3.27Å; V190-L192 PolarHBondContact O-N 2.69Å; L192-L200 HydrophobicContact CD2-CD1 3.89Å; L192-I219 HydrophobicContact CD1-CG2 4.33Å; L192-I219 HydrophobicContact CD2-CD1 4Å; L192-I219 HydrophobicContact CD2-CG1 4.43Å; L192-I219 HydrophobicContact CG-CD1 4.49Å; L192-I219 HydrophobicContact CG-CG2 4.45Å; L192-F223 VanDerWaalsContact CD1-O 3.25Å; L192-F223 WeakPolarHBondContact CD1-O 3.33Å; L192-F225 HydrophobicContact CD1-CB 3.85Å; L192-F233 HydrophobicContact CB-CE1 4.05Å; L192-F233 HydrophobicContact CB-CZ 4.4Å; L192-L241 HydrophobicContact CB-CD2 4.25Å; L192-L241 HydrophobicContact CD1-CD2 4.16Å; L192-L241 HydrophobicContact CD2-CD2 4.08Å; L192-L241 HydrophobicContact CG-CD2 4.41Å; L192-V250 HydrophobicContact CD2-CG1 4.27Å; L192-V250 HydrophobicContact CD2-CG2 4.42Å
193S92.5Very high92.1Very high29 Ų2922.4 Ų22.420%0.20312%0.122CC..  trans-64.2167.9173.592.20000110.4E188 Q191 F195 G196 T197E188-S193 WeakPolarHBondContact CB-OG 3.4Å; E188-S193 PolarHBondContact O-N 2.95Å; E188-S193 VanDerWaalsContact O-N 3.07Å; E188-S193 PolarHBondContact OE2-OG 3.5Å; Q191-S193 PolarHBondContact O-N 2.94Å; S193-F195 VanDerWaalsContact C-N 3.33Å; S193-F195 PolarHBondContact O-N 3.49Å; S193-F195 PolarHBondContact OG-N 2.87Å; S193-G196 PolarHBondContact O-N 3.27Å; S193-G196 PolarHBondContact OG-N 3.18Å; S193-T197 WeakPolarHBondContact O-CB 3.36Å; S193-T197 PolarHBondContact O-N 3.21Å; S193-T197 PolarHBondContact O-OG1 3.06Å
194A92.3Very high92.4Very high60 Ų6020.6 Ų20.650%0.49611%0.114SC..Hα-helixtrans-56.5-48.8174.400000111.5T197 E198 L237A194-T197 PolarHBondContact O-N 3.49Å; A194-E198 WeakPolarHBondContact O-CG 3.21Å; A194-E198 PolarHBondContact O-N 2.9Å; A194-L237 HydrophobicContact CB-CD1 4.08Å; A194-L237 HydrophobicContact CB-CD2 4.35Å
195F94.1Very high92.7Very high9 Ų920.1 Ų20.14%0.03911%0.111CC..Hα-helixtrans-63.1-46.9176174.2-99.6000112F159 T162 V163 C166 P185 E188 S193 T197 E198 V199F159-F195 HydrophobicContact CD2-CD2 4.38Å; F159-F195 HydrophobicContact CE2-CB 4.45Å; F159-F195 AromaticContact CE2-CD2 3.69Å; F159-F195 HydrophobicContact CE2-CD2 3.69Å; F159-F195 HydrophobicContact CZ-CD2 4.14Å; T162-F195 HydrophobicContact CG2-CE2 3.87Å; T162-F195 HydrophobicContact CG2-CZ 3.93Å; V163-F195 HydrophobicContact CG2-CD2 3.98Å; V163-F195 HydrophobicContact CG2-CE2 3.73Å; C166-F195 HydrophobicContact CB-CZ 4.16Å; P185-F195 HydrophobicContact CB-CE1 4.11Å; P185-F195 HydrophobicContact CG-CE1 4.43Å; E188-F195 HydrophobicContact CB-CD1 4.14Å; S193-F195 VanDerWaalsContact C-N 3.33Å; S193-F195 PolarHBondContact O-N 3.49Å; S193-F195 PolarHBondContact OG-N 2.87Å; F195-T197 VanDerWaalsContact C-N 3.27Å; F195-T197 PolarHBondContact O-N 3.29Å; F195-E198 PolarHBondContact O-N 3.27Å; F195-E198 VanDerWaalsContact O-N 3.14Å; F195-V199 HydrophobicContact CD1-CG2 4.29Å; F195-V199 HydrophobicContact CE1-CG2 3.82Å; F195-V199 HydrophobicContact CE2-CG2 4.26Å; F195-V199 HydrophobicContact CZ-CG2 3.8Å; F195-V199 WeakPolarHBondContact O-CG2 3.19Å; F195-V199 PolarHBondContact O-N 2.99Å
196G94.8Very high92.9Very high0 Ų020.5 Ų20.50%011%0.113CC..Hα-helixtrans-59-38.5178.200000113S193 V199 L200S193-G196 PolarHBondContact O-N 3.27Å; S193-G196 PolarHBondContact OG-N 3.18Å; G196-V199 PolarHBondContact O-N 3.26Å; G196-L200 VanDerWaalsContact O-CG 3.29Å; G196-L200 WeakPolarHBondContact O-CG 3.31Å; G196-L200 PolarHBondContact O-N 3.47Å
197T95.1Very high92.8Very high0 Ų021.1 Ų21.10%012%0.117CC..Hα-helixtrans-65-40.4176.7-570000111.5S193 A194 F195 L200 F201 L237 K240 L241 L244S193-T197 WeakPolarHBondContact O-CB 3.36Å; S193-T197 PolarHBondContact O-N 3.21Å; S193-T197 PolarHBondContact O-OG1 3.06Å; A194-T197 PolarHBondContact O-N 3.49Å; F195-T197 VanDerWaalsContact C-N 3.27Å; F195-T197 PolarHBondContact O-N 3.29Å; T197-L200 PolarHBondContact O-N 3.48Å; T197-F201 VanDerWaalsContact O-CB 3.28Å; T197-F201 WeakPolarHBondContact O-CB 3.44Å; T197-F201 PolarHBondContact O-N 2.9Å; T197-L237 HydrophobicContact CG2-CD2 4.05Å; T197-K240 HydrophobicContact CG2-CB 3.84Å; T197-K240 HydrophobicContact CG2-CD 4.45Å; T197-L241 HydrophobicContact CG2-CD2 3.89Å; T197-L241 HydrophobicContact CG2-CG 4.12Å; T197-L244 HydrophobicContact CG2-CD1 4.15Å
198E95.1Very high92.6Very high49 Ų4922.8 Ų22.823%0.22912%0.123CC..Hα-helixtrans-63.7-41.1174.5-63.5-56149.300112.2F159 V163 A194 F195 F201 L202 K240F159-E198 HydrophobicContact CE1-CG 3.99Å; F159-E198 HydrophobicContact CZ-CB 4.43Å; F159-E198 HydrophobicContact CZ-CG 3.91Å; V163-E198 HydrophobicContact CG1-CB 4.01Å; V163-E198 HydrophobicContact CG2-CB 3.92Å; A194-E198 WeakPolarHBondContact O-CG 3.21Å; A194-E198 PolarHBondContact O-N 2.9Å; F195-E198 PolarHBondContact O-N 3.27Å; F195-E198 VanDerWaalsContact O-N 3.14Å; E198-F201 PolarHBondContact O-N 3.4Å; E198-L202 PolarHBondContact O-N 3Å; E198-K240 IonicContact OE1-NZ 3.77Å; E198-K240 PolarHBondContact OE1-NZ 3.35Å; E198-K240 IonicContact OE2-NZ 2.79Å; E198-K240 PolarHBondContact OE2-NZ 2.8Å
199V95.8Very high92.4Very high0 Ų026.3 Ų26.30%014%0.138CC..Hα-helixtrans-62-48.8176174.10000110.5V163 C166 A167 F170 F195 G196 F201 L202 I203V163-V199 HydrophobicContact CG1-CG2 4.27Å; V163-V199 HydrophobicContact CG2-CG2 4.45Å; C166-V199 HydrophobicContact CB-CG1 4.22Å; C166-V199 HydrophobicContact CB-CG2 3.84Å; A167-V199 HydrophobicContact CB-CG1 4.18Å; F170-V199 HydrophobicContact CD1-CG1 4.39Å; F195-V199 HydrophobicContact CD1-CG2 4.29Å; F195-V199 HydrophobicContact CE1-CG2 3.82Å; F195-V199 HydrophobicContact CE2-CG2 4.26Å; F195-V199 HydrophobicContact CZ-CG2 3.8Å; F195-V199 WeakPolarHBondContact O-CG2 3.19Å; F195-V199 PolarHBondContact O-N 2.99Å; G196-V199 PolarHBondContact O-N 3.26Å; V199-F201 VanDerWaalsContact C-N 3.31Å; V199-F201 PolarHBondContact O-N 3.15Å; V199-L202 PolarHBondContact O-N 3.49Å; V199-I203 HydrophobicContact CG1-CD1 4.26Å; V199-I203 WeakPolarHBondContact O-CG1 3.37Å; V199-I203 PolarHBondContact O-N 3.11Å
200L95.2Very high92.3Very high0 Ų027.4 Ų27.40%014%0.143CC..Hα-helixtrans-62.4-38.2177.2-70.2174.1000112.4F170 C189 L192 G196 T197 I203 A204 L217 L244 V250F170-L200 HydrophobicContact CE1-CD2 3.9Å; C189-L200 HydrophobicContact CB-CD1 4.43Å; C189-L200 HydrophobicContact CB-CD2 4.24Å; C189-L200 HydrophobicContact CB-CG 4.15Å; L192-L200 HydrophobicContact CD2-CD1 3.89Å; G196-L200 VanDerWaalsContact O-CG 3.29Å; G196-L200 WeakPolarHBondContact O-CG 3.31Å; G196-L200 PolarHBondContact O-N 3.47Å; T197-L200 PolarHBondContact O-N 3.48Å; L200-I203 WeakPolarHBondContact O-CB 3.33Å; L200-I203 PolarHBondContact O-N 2.7Å; L200-A204 PolarHBondContact O-N 3.04Å; L200-A204 VanDerWaalsContact O-N 3.15Å; L200-L217 HydrophobicContact CD1-CD2 4.42Å; L200-L217 HydrophobicContact CD2-CD2 3.7Å; L200-L244 HydrophobicContact CB-CD1 3.75Å; L200-L244 HydrophobicContact CB-CD2 4.15Å; L200-L244 HydrophobicContact CD1-CD1 4.46Å; L200-V250 HydrophobicContact CD1-CG2 3.99Å
201F93.6Very high92.2Very high7 Ų733.1 Ų33.13%0.03117%0.172CC..Hα-helixtrans-62.3-45176.6-167-86.5000111.3T197 E198 V199 I203 A204 K240 F243 F279T197-F201 VanDerWaalsContact O-CB 3.28Å; T197-F201 WeakPolarHBondContact O-CB 3.44Å; T197-F201 PolarHBondContact O-N 2.9Å; E198-F201 PolarHBondContact O-N 3.4Å; V199-F201 VanDerWaalsContact C-N 3.31Å; V199-F201 PolarHBondContact O-N 3.15Å; F201-I203 VanDerWaalsContact C-N 3.31Å; F201-I203 PolarHBondContact O-N 3.19Å; F201-A204 WeakPolarHBondContact O-CB 3.36Å; F201-A204 PolarHBondContact O-N 3.09Å; F201-A204 VanDerWaalsContact O-N 3.15Å; F201-K240 HydrophobicContact CD2-CB 4.07Å; F201-K240 HydrophobicContact CD2-CD 4.19Å; F201-K240 HydrophobicContact CD2-CG 3.9Å; F201-K240 HydrophobicContact CE2-CG 4.17Å; F201-K240 HydrophobicContact CG-CD 4.41Å; F201-F243 AromaticContact CD2-CD1 3.82Å; F201-F243 HydrophobicContact CD2-CD1 3.82Å; F201-F243 HydrophobicContact CD2-CE1 4.18Å; F201-F243 AromaticContact CE2-CD1 3.42Å; F201-F243 HydrophobicContact CE2-CD1 3.42Å; F201-F243 VanDerWaalsContact CE2-CD1 3.42Å; F201-F243 AromaticContact CE2-CE1 3.74Å; F201-F243 HydrophobicContact CE2-CE1 3.74Å; F201-F243 HydrophobicContact CE2-CG 4.1Å; F201-F243 HydrophobicContact CZ-CD1 4.31Å; F201-F243 HydrophobicContact CZ-CE1 4.25Å; F201-F279 HydrophobicContact CE1-CD1 4.26Å; F201-F279 HydrophobicContact CE2-CB 3.82Å; F201-F279 AromaticContact CE2-CD1 3.68Å; F201-F279 HydrophobicContact CE2-CD1 3.68Å; F201-F279 AromaticContact CE2-CD2 3.8Å; F201-F279 HydrophobicContact CE2-CD2 3.8Å; F201-F279 HydrophobicContact CE2-CE1 4.15Å; F201-F279 HydrophobicContact CE2-CE2 4.25Å; F201-F279 AromaticContact CE2-CG 3.49Å; F201-F279 HydrophobicContact CE2-CG 3.49Å; F201-F279 VanDerWaalsContact CE2-CG 3.49Å; F201-F279 HydrophobicContact CE2-CZ 4.42Å; F201-F279 HydrophobicContact CZ-CB 3.68Å; F201-F279 AromaticContact CZ-CD1 3.26Å; F201-F279 HydrophobicContact CZ-CD1 3.26Å; F201-F279 HydrophobicContact CZ-CD2 4.23Å; F201-F279 AromaticContact CZ-CE1 3.9Å; F201-F279 HydrophobicContact CZ-CE1 3.9Å; F201-F279 AromaticContact CZ-CG 3.46Å; F201-F279 HydrophobicContact CZ-CG 3.46Å; F201-F279 VanDerWaalsContact CZ-CG 3.46Å
202L94Very high92Very high28 Ų2830.4 Ų30.415%0.14716%0.162CC..Hα-helixtrans-67.1-33.3175.4-176.459.4000112.2V163 I164 A167 E198 V199 A204 E205 L206V163-L202 HydrophobicContact CG1-CB 4.42Å; V163-L202 HydrophobicContact CG1-CD2 4.15Å; I164-L202 VanDerWaalsContact CA-CD2 3.49Å; I164-L202 HydrophobicContact CB-CD2 4.14Å; I164-L202 HydrophobicContact CG1-CD2 3.73Å; A167-L202 HydrophobicContact CB-CB 3.92Å; A167-L202 HydrophobicContact CB-CD2 3.65Å; A167-L202 HydrophobicContact CB-CG 3.79Å; E198-L202 PolarHBondContact O-N 3Å; V199-L202 PolarHBondContact O-N 3.49Å; L202-A204 PolarHBondContact O-N 3.31Å; L202-E205 HydrophobicContact CD1-CB 4.35Å; L202-E205 WeakPolarHBondContact CD1-OE2 3.47Å; L202-E205 WeakPolarHBondContact O-CB 3.18Å; L202-E205 PolarHBondContact O-N 3.21Å; L202-L206 HydrophobicContact CG-CG 4.46Å; L202-L206 WeakPolarHBondContact O-CG 3.43Å; L202-L206 PolarHBondContact O-N 3.38Å
203I93.7Very high91.5Very high0 Ų039.4 Ų39.40%020%0.204CC..Hα-helixtrans-58.9-34.4172.5-77.2177.1000111.9A167 F170 L171 V199 L200 F201 E205 L206 I207 F214A167-I203 HydrophobicContact CB-CG1 3.95Å; F170-I203 HydrophobicContact CB-CD1 4.11Å; F170-I203 HydrophobicContact CD1-CD1 3.3Å; F170-I203 HydrophobicContact CE1-CD1 4.12Å; F170-I203 HydrophobicContact CG-CD1 4.13Å; L171-I203 HydrophobicContact CB-CD1 4.34Å; L171-I203 HydrophobicContact CB-CG1 4.25Å; L171-I203 HydrophobicContact CD1-CG2 4.24Å; V199-I203 HydrophobicContact CG1-CD1 4.26Å; V199-I203 WeakPolarHBondContact O-CG1 3.37Å; V199-I203 PolarHBondContact O-N 3.11Å; L200-I203 WeakPolarHBondContact O-CB 3.33Å; L200-I203 PolarHBondContact O-N 2.7Å; F201-I203 VanDerWaalsContact C-N 3.31Å; F201-I203 PolarHBondContact O-N 3.19Å; I203-E205 VanDerWaalsContact C-N 3.27Å; I203-E205 PolarHBondContact O-N 2.94Å; I203-L206 PolarHBondContact O-N 2.95Å; I203-L206 VanDerWaalsContact O-N 3.16Å; I203-I207 HydrophobicContact CG2-CD1 3.55Å; I203-I207 HydrophobicContact CG2-CG1 4.01Å; I203-I207 VanDerWaalsContact O-CG1 3.29Å; I203-I207 WeakPolarHBondContact O-CG1 3.42Å; I203-I207 PolarHBondContact O-N 3.37Å; I203-F214 HydrophobicContact CG2-CE2 4.41Å
204A90.9Very high91.2Very high0 Ų040.2 Ų40.20%020%0.203CC..Hα-helixtrans-56.8-43.3173.800000112.5L200 F201 L202 F243 I249 K285L200-A204 PolarHBondContact O-N 3.04Å; L200-A204 VanDerWaalsContact O-N 3.15Å; F201-A204 WeakPolarHBondContact O-CB 3.36Å; F201-A204 PolarHBondContact O-N 3.09Å; F201-A204 VanDerWaalsContact O-N 3.15Å; L202-A204 PolarHBondContact O-N 3.31Å; A204-F243 HydrophobicContact CB-CE1 3.85Å; A204-F243 HydrophobicContact CB-CZ 4.39Å; A204-I249 HydrophobicContact CB-CD1 3.27Å; A204-K285 WeakPolarHBondContact O-CE 3.28Å
205E89.9Confident90.9Very high49 Ų4944.5 Ų44.523%0.22922%0.218CC..Hα-helixtrans-67.3-41.7176.6-58.7177.5-168.100110.8L202 I203 K209 K282 C283L202-E205 HydrophobicContact CD1-CB 4.35Å; L202-E205 WeakPolarHBondContact CD1-OE2 3.47Å; L202-E205 WeakPolarHBondContact O-CB 3.18Å; L202-E205 PolarHBondContact O-N 3.21Å; I203-E205 VanDerWaalsContact C-N 3.27Å; I203-E205 PolarHBondContact O-N 2.94Å; E205-K209 WeakPolarHBondContact O-CB 3.41Å; E205-K209 PolarHBondContact O-N 2.99Å; E205-K282 WeakPolarHBondContact OE1-CE 3.05Å; E205-K282 IonicContact OE1-NZ 3.94Å; E205-K282 PolarHBondContact OE1-NZ 3.2Å; E205-C283 HydrophobicContact CG-CB 4.17Å; E205-C283 VanDerWaalsContact CG-SG 3.52Å
206L92.4Very high90.6Very high8 Ų846.2 Ų46.24%0.04223%0.229CC..Hα-helixtrans-69.9-39.2-177.7-64-179.1000113.7A167 F168 L171 L202 I203 Q208 K209 F210A167-L206 HydrophobicContact CB-CD1 3.89Å; F168-L206 HydrophobicContact CD1-CD1 4.48Å; F168-L206 HydrophobicContact CD2-CD1 3.6Å; F168-L206 HydrophobicContact CD2-CD2 4.24Å; F168-L206 HydrophobicContact CE1-CD2 4.24Å; F168-L206 HydrophobicContact CE2-CD1 3.79Å; F168-L206 HydrophobicContact CE2-CD2 3.53Å; F168-L206 HydrophobicContact CE2-CG 4.3Å; F168-L206 HydrophobicContact CG-CD1 4Å; F168-L206 HydrophobicContact CZ-CD1 4.3Å; F168-L206 HydrophobicContact CZ-CD2 3.52Å; L171-L206 HydrophobicContact CD2-CB 3.63Å; L171-L206 HydrophobicContact CD2-CD1 4.49Å; L202-L206 HydrophobicContact CG-CG 4.46Å; L202-L206 WeakPolarHBondContact O-CG 3.43Å; L202-L206 PolarHBondContact O-N 3.38Å; I203-L206 PolarHBondContact O-N 2.95Å; I203-L206 VanDerWaalsContact O-N 3.16Å; L206-Q208 VanDerWaalsContact C-N 3.25Å; L206-Q208 PolarHBondContact O-N 3Å; L206-K209 HydrophobicContact CD2-CD 4.42Å; L206-K209 PolarHBondContact O-N 3.25Å; L206-F210 HydrophobicContact CB-CD2 4.29Å; L206-F210 HydrophobicContact CB-CE2 4.39Å; L206-F210 HydrophobicContact CD2-CE2 4Å; L206-F210 VanDerWaalsContact O-CD2 3.32Å; L206-F210 WeakPolarHBondContact O-CD2 3.36Å; L206-F210 PolarHBondContact O-N 3.35Å
207I90.7Very high90.4Very high18 Ų1847 Ų479%0.09223%0.234CC..Hα-helixtrans-55.4-45.7177.3-75163.8000110.1L171 I203 N211 V212 F214 I249L171-I207 HydrophobicContact CD1-CG1 3.88Å; L171-I207 HydrophobicContact CD2-CG1 4.27Å; I203-I207 HydrophobicContact CG2-CD1 3.55Å; I203-I207 HydrophobicContact CG2-CG1 4.01Å; I203-I207 VanDerWaalsContact O-CG1 3.29Å; I203-I207 WeakPolarHBondContact O-CG1 3.42Å; I203-I207 PolarHBondContact O-N 3.37Å; I207-N211 WeakPolarHBondContact O-CA 3.37Å; I207-N211 PolarHBondContact O-N 3.49Å; I207-V212 WeakPolarHBondContact CG2-O 3.45Å; I207-V212 PolarHBondContact O-N 3.45Å; I207-F214 HydrophobicContact CD1-CB 3.68Å; I207-F214 HydrophobicContact CD1-CD1 3.73Å; I207-F214 HydrophobicContact CD1-CD2 3.65Å; I207-F214 HydrophobicContact CD1-CE1 4.27Å; I207-F214 HydrophobicContact CD1-CE2 4.17Å; I207-F214 HydrophobicContact CD1-CG 3.39Å; I207-F214 HydrophobicContact CD1-CZ 4.47Å; I207-F214 HydrophobicContact CG1-CB 4.04Å; I207-F214 HydrophobicContact CG1-CD2 4.15Å; I207-F214 HydrophobicContact CG1-CG 4.13Å; I207-F214 HydrophobicContact CG2-CB 4.23Å; I207-I249 HydrophobicContact CD1-CD1 4.05Å
208Q84.2Confident90.2Very high75 Ų7553.8 Ų53.835%0.3527%0.265SS..Hα-helixtrans-70.9-47.6177.2-173.7-173.426.500111.6L206 F210 N211 C283 N284L206-Q208 VanDerWaalsContact C-N 3.25Å; L206-Q208 PolarHBondContact O-N 3Å; Q208-F210 PolarHBondContact O-N 2.7Å; Q208-F210 VanDerWaalsContact O-N 3.14Å; Q208-N211 PolarHBondContact O-N 3.19Å; Q208-C283 PolarHBondContact OE1-O 3.01Å; Q208-N284 PolarHBondContact NE2-ND2 3.49Å; Q208-N284 PolarHBondContact NE2-O 2.87Å; Q208-N284 PolarHBondContact OE1-O 3.45Å
209K87.7Confident90.1Very high103 Ų10351.9 Ų51.945%0.44826%0.256SS..Hα-helixtrans-50.9-41.7-179.9-178.7-173171.9-165.80111.5K124 L126 E205 L206K124-K209 PolarHBondContact O-NZ 2.98Å; L126-K209 PolarHBondContact O-NZ 3.14Å; E205-K209 WeakPolarHBondContact O-CB 3.41Å; E205-K209 PolarHBondContact O-N 2.99Å; L206-K209 HydrophobicContact CD2-CD 4.42Å; L206-K209 PolarHBondContact O-N 3.25Å
210F90.3Very high89.7Confident24 Ų2454.8 Ų54.811%0.10528%0.276CS..THydrogen-bonded Turntrans-98.10.1-177.7-61.9-52000114.2L126 R127 I129 F168 L206 Q208 V212L126-F210 HydrophobicContact CB-CZ 4.25Å; L126-F210 WeakPolarHBondContact O-CE1 3.45Å; R127-F210 VanDerWaalsContact O-CD1 3.27Å; R127-F210 WeakPolarHBondContact O-CD1 3.3Å; R127-F210 WeakPolarHBondContact O-CE1 3.46Å; I129-F210 HydrophobicContact CB-CB 4.42Å; I129-F210 HydrophobicContact CB-CD2 3.89Å; I129-F210 HydrophobicContact CB-CE2 4.38Å; I129-F210 HydrophobicContact CB-CG 4.18Å; I129-F210 HydrophobicContact CD1-CD2 4.18Å; I129-F210 HydrophobicContact CD1-CE2 4.08Å; F168-F210 HydrophobicContact CD1-CE2 4.3Å; F168-F210 AromaticContact CE1-CE2 3.64Å; F168-F210 HydrophobicContact CE1-CE2 3.64Å; F168-F210 AromaticContact CE1-CZ 3.64Å; F168-F210 HydrophobicContact CE1-CZ 3.64Å; F168-F210 HydrophobicContact CZ-CE2 4.18Å; F168-F210 HydrophobicContact CZ-CZ 4.18Å; L206-F210 HydrophobicContact CB-CD2 4.29Å; L206-F210 HydrophobicContact CB-CE2 4.39Å; L206-F210 HydrophobicContact CD2-CE2 4Å; L206-F210 VanDerWaalsContact O-CD2 3.32Å; L206-F210 WeakPolarHBondContact O-CD2 3.36Å; L206-F210 PolarHBondContact O-N 3.35Å; Q208-F210 PolarHBondContact O-N 2.7Å; Q208-F210 VanDerWaalsContact O-N 3.14Å; F210-V212 VanDerWaalsContact C-N 3.32Å; F210-V212 HydrophobicContact CB-CG2 3.55Å; F210-V212 PolarHBondContact O-N 2.78Å
211N88.7Confident89.3Confident151 Ų15161.2 Ų61.281%0.80731%0.31SS*.THydrogen-bonded Turntrans47.651.8-176.4-167.849.2000112.9I207 Q208I207-N211 WeakPolarHBondContact O-CA 3.37Å; I207-N211 PolarHBondContact O-N 3.49Å; Q208-N211 PolarHBondContact O-N 3.19Å
212V87.9Confident89.1Confident27 Ų2769 Ų6916%0.16434%0.344CS..  trans-98.3134.3-174.7-178.40000110.1I129 V175 I207 F210 F214I129-V212 HydrophobicContact CB-CG2 4.5Å; I129-V212 HydrophobicContact CG2-CG2 3.77Å; V175-V212 HydrophobicContact CB-CG1 4.41Å; V175-V212 HydrophobicContact CG1-CG1 3.99Å; V175-V212 HydrophobicContact CG2-CG1 3.47Å; V175-V212 VanDerWaalsContact CG2-CG1 3.47Å; I207-V212 WeakPolarHBondContact CG2-O 3.45Å; I207-V212 PolarHBondContact O-N 3.45Å; F210-V212 VanDerWaalsContact C-N 3.32Å; F210-V212 HydrophobicContact CB-CG2 3.55Å; F210-V212 PolarHBondContact O-N 2.78Å; V212-F214 PolarHBondContact O-N 3.28Å
213E83.8Confident88.9Confident191 Ų19170 Ų7089%0.89335%0.347SS*.  trans-67.2126.3168.6-71.9-175.3166.300109.7
214F85.2Confident88.8Confident45 Ų4572.1 Ų72.120%0.19736%0.357CS..  trans-131.2117-176.3-176.5-91.4000110.1L171 L174 I203 I207 V212 L217 I249L171-F214 HydrophobicContact CD1-CD2 3.81Å; L171-F214 HydrophobicContact CD1-CE2 4.08Å; L174-F214 HydrophobicContact CB-CE2 4.46Å; L174-F214 HydrophobicContact CD1-CE2 3.68Å; L174-F214 HydrophobicContact CD1-CZ 4.06Å; I203-F214 HydrophobicContact CG2-CE2 4.41Å; I207-F214 HydrophobicContact CD1-CB 3.68Å; I207-F214 HydrophobicContact CD1-CD1 3.73Å; I207-F214 HydrophobicContact CD1-CD2 3.65Å; I207-F214 HydrophobicContact CD1-CE1 4.27Å; I207-F214 HydrophobicContact CD1-CE2 4.17Å; I207-F214 HydrophobicContact CD1-CG 3.39Å; I207-F214 HydrophobicContact CD1-CZ 4.47Å; I207-F214 HydrophobicContact CG1-CB 4.04Å; I207-F214 HydrophobicContact CG1-CD2 4.15Å; I207-F214 HydrophobicContact CG1-CG 4.13Å; I207-F214 HydrophobicContact CG2-CB 4.23Å; V212-F214 PolarHBondContact O-N 3.28Å; F214-L217 HydrophobicContact CZ-CB 4.45Å; F214-I249 HydrophobicContact CE1-CG2 3.99Å; F214-I249 HydrophobicContact CZ-CG2 4.4Å
215D85.1Confident89Confident150 Ų15072.1 Ų72.180%0.80236%0.357SS*.PPolyproline II helixtrans-75.1138.5170.7-70.9-32.3000110.4L217D215-L217 PolarHBondContact O-N 3.29Å
216T88.7Confident89.2Confident46 Ų4670 Ų7028%0.28235%0.348SS..PPolyproline II helixtrans-53127.2179.6-58.80000111.4Q218 R248 V250 S251T216-Q218 PolarHBondContact O-N 2.85Å; T216-Q218 PolarHBondContact O-NE2 3.49Å; T216-R248 VanDerWaalsContact CB-O 3.3Å; T216-R248 WeakPolarHBondContact CB-O 3.43Å; T216-R248 VanDerWaalsContact CG2-O 3.29Å; T216-R248 WeakPolarHBondContact CG2-O 3.41Å; T216-R248 PolarHBondContact OG1-O 3.41Å; T216-V250 VanDerWaalsContact CG2-C 3.49Å; T216-S251 VanDerWaalsContact CG2-N 3.25Å
217L91.5Very high89.3Confident17 Ų1770.9 Ų70.99%0.08935%0.353CS..BIsolated β-bridgetrans-64.1121.6178.5-174.266.4000110F170 L174 L200 F214 D215 I219 I249 S251F170-L217 HydrophobicContact CE1-CD2 4.42Å; F170-L217 HydrophobicContact CZ-CD2 4.43Å; L174-L217 HydrophobicContact CD2-CD1 4.28Å; L200-L217 HydrophobicContact CD1-CD2 4.42Å; L200-L217 HydrophobicContact CD2-CD2 3.7Å; F214-L217 HydrophobicContact CZ-CB 4.45Å; D215-L217 PolarHBondContact O-N 3.29Å; L217-I219 HydrophobicContact CD2-CD1 3.95Å; L217-I219 HydrophobicContact CG-CD1 4.07Å; L217-I219 PolarHBondContact O-N 2.82Å; L217-I249 VanDerWaalsContact CB-O 3.28Å; L217-I249 WeakPolarHBondContact CB-O 3.15Å; L217-I249 PolarHBondContact N-O 2.53Å; L217-S251 WeakPolarHBondContact O-CB 3.48Å; L217-S251 PolarHBondContact O-N 3.43Å; L217-S251 PolarHBondContact O-OG 3.22Å
218Q90.6Very high89.4Confident142 Ų14276.1 Ų76.166%0.66439%0.386SS*.PPolyproline II helixtrans-77.4119.6176.6-61.9-57.1-46.100109.8T216 S251T216-Q218 PolarHBondContact O-N 2.85Å; T216-Q218 PolarHBondContact O-NE2 3.49Å; Q218-S251 WeakPolarHBondContact CA-OG 3.38Å
219I91.4Very high89.8Confident8 Ų874.6 Ų74.64%0.04138%0.382CS..PPolyproline II helixtrans-100.2128.3178.3-58-56.7000109.1L192 L217 F223 V250 S251L192-I219 HydrophobicContact CD1-CG2 4.33Å; L192-I219 HydrophobicContact CD2-CD1 4Å; L192-I219 HydrophobicContact CD2-CG1 4.43Å; L192-I219 HydrophobicContact CG-CD1 4.49Å; L192-I219 HydrophobicContact CG-CG2 4.45Å; L217-I219 HydrophobicContact CD2-CD1 3.95Å; L217-I219 HydrophobicContact CG-CD1 4.07Å; L217-I219 PolarHBondContact O-N 2.82Å; I219-F223 HydrophobicContact CG2-CB 3.89Å; I219-V250 HydrophobicContact CD1-CG1 4.08Å; I219-V250 HydrophobicContact CG1-CG1 3.42Å; I219-V250 VanDerWaalsContact CG1-CG1 3.42Å; I219-S251 PolarHBondContact N-OG 2.92Å; I219-S251 VanDerWaalsContact N-OG 3.13Å
220P88.6Confident90.1Very high62 Ų6269.8 Ų69.840%0.40336%0.361SS..PPolyproline II helixtrans-56.8140.6173.9-23.832.8000111.7V190 K222 F223 Q224V190-P220 HydrophobicContact CG1-CG 3.7Å; P220-K222 PolarHBondContact O-N 3.15Å; P220-F223 HydrophobicContact CB-CD2 4.43Å; P220-F223 PolarHBondContact O-N 2.94Å; P220-Q224 PolarHBondContact O-N 3.32Å
221D87.2Confident90.1Very high135 Ų13574.3 Ų74.372%0.72239%0.386SS*.G310 helixtrans-48-35.8-175.5-61.7-20.1000113.9F223 Q224D221-F223 PolarHBondContact O-N 3.21Å; D221-Q224 WeakPolarHBondContact O-CB 3.17Å; D221-Q224 PolarHBondContact O-N 3.49Å
222K89.3Confident90.2Very high170 Ų17071.3 Ų71.374%0.73938%0.377SS*.G310 helixtrans-66.3-19.2-178.997.1174.7-171179.80114.5P220P220-K222 PolarHBondContact O-N 3.15Å
223F90Very high90.4Very high50 Ų5071.8 Ų71.822%0.21938%0.377CS..G310 helixtrans-116.29.9-178.2-60.6-61.5000112.6Q191 L192 I219 P220 D221 F225Q191-F223 HydrophobicContact CB-CD1 4.32Å; Q191-F223 HydrophobicContact CB-CD2 4.43Å; Q191-F223 HydrophobicContact CB-CE1 4.05Å; Q191-F223 HydrophobicContact CB-CE2 4.14Å; Q191-F223 HydrophobicContact CB-CG 4.47Å; Q191-F223 HydrophobicContact CB-CZ 3.9Å; Q191-F223 HydrophobicContact CG-CD2 4.22Å; Q191-F223 HydrophobicContact CG-CE1 4.07Å; Q191-F223 HydrophobicContact CG-CE2 3.54Å; Q191-F223 HydrophobicContact CG-CZ 3.4Å; Q191-F223 VanDerWaalsContact CG-CZ 3.4Å; L192-F223 VanDerWaalsContact CD1-O 3.25Å; L192-F223 WeakPolarHBondContact CD1-O 3.33Å; I219-F223 HydrophobicContact CG2-CB 3.89Å; P220-F223 HydrophobicContact CB-CD2 4.43Å; P220-F223 PolarHBondContact O-N 2.94Å; D221-F223 PolarHBondContact O-N 3.21Å; F223-F225 PolarHBondContact O-N 3.02Å
224Q91.1Very high90.6Very high43 Ų4366.2 Ų66.220%0.20136%0.358CS..  trans-67.8130.8-168.6-158.6169.933.800112P220 D221 T229 P253P220-Q224 PolarHBondContact O-N 3.32Å; D221-Q224 WeakPolarHBondContact O-CB 3.17Å; D221-Q224 PolarHBondContact O-N 3.49Å; Q224-T229 PolarHBondContact O-OG1 2.97Å; Q224-P253 VanDerWaalsContact CG-CD 3.49Å; Q224-P253 HydrophobicContact CG-CG 3.91Å; Q224-P253 VanDerWaalsContact NE2-CD 3.29Å
225F94.1Very high90.6Very high0 Ų067.9 Ų67.90%038%0.375CS..  trans-88.9112.8174-167.5-110.4000110.2L192 F223 F230 F233 L241 L242 V245 S252 W259L192-F225 HydrophobicContact CD1-CB 3.85Å; F223-F225 PolarHBondContact O-N 3.02Å; F225-F230 HydrophobicContact CE1-CD2 4.23Å; F225-F230 HydrophobicContact CE2-CD2 4.1Å; F225-F230 AromaticContact CZ-CD2 3.47Å; F225-F230 HydrophobicContact CZ-CD2 3.47Å; F225-F230 VanDerWaalsContact CZ-CD2 3.47Å; F225-F230 AromaticContact CZ-CE2 3.95Å; F225-F230 HydrophobicContact CZ-CE2 3.95Å; F225-F230 HydrophobicContact CZ-CG 4.47Å; F225-F233 AromaticContact CD2-CD2 3.65Å; F225-F233 HydrophobicContact CD2-CD2 3.65Å; F225-F233 AromaticContact CD2-CE2 3.79Å; F225-F233 HydrophobicContact CD2-CE2 3.79Å; F225-F233 HydrophobicContact CD2-CG 4.21Å; F225-F233 HydrophobicContact CD2-CZ 4.43Å; F225-F233 HydrophobicContact CE2-CB 4.31Å; F225-F233 AromaticContact CE2-CD2 3.84Å; F225-F233 HydrophobicContact CE2-CD2 3.84Å; F225-F233 HydrophobicContact CE2-CE2 4.44Å; F225-F233 HydrophobicContact CE2-CG 4.15Å; F225-L241 HydrophobicContact CD1-CB 3.69Å; F225-L241 HydrophobicContact CD2-CB 4.12Å; F225-L241 HydrophobicContact CD2-CD1 3.72Å; F225-L241 HydrophobicContact CE1-CB 3.52Å; F225-L241 HydrophobicContact CE2-CB 3.98Å; F225-L241 HydrophobicContact CE2-CD1 3.75Å; F225-L241 HydrophobicContact CG-CB 3.98Å; F225-L241 HydrophobicContact CG-CD1 4.23Å; F225-L241 HydrophobicContact CZ-CB 3.66Å; F225-L241 HydrophobicContact CZ-CD1 4.27Å; F225-L242 HydrophobicContact CE1-CD2 4Å; F225-L242 HydrophobicContact CE1-CG 4.06Å; F225-L242 HydrophobicContact CZ-CG 4.42Å; F225-V245 HydrophobicContact CD1-CG2 3.96Å; F225-S252 PolarHBondContact O-OG 3.03Å; F225-W259 AromaticContact CD1-CH2 3.91Å; F225-W259 HydrophobicContact CD1-CH2 3.91Å; F225-W259 HydrophobicContact CD1-CZ2 4.06Å; F225-W259 AromaticContact CE1-CH2 3.68Å; F225-W259 HydrophobicContact CE1-CH2 3.68Å; F225-W259 HydrophobicContact CE1-CZ2 4.21Å; F225-W259 HydrophobicContact CE1-CZ3 4.47Å; F225-W259 HydrophobicContact CZ-CH2 4.26Å
226S94.7Very high90.5Very high6 Ų668.5 Ų68.54%0.04237%0.373CS..  trans-144169.1-171.367.80000110T228 T229 F230 S254 W259S226-T228 PolarHBondContact O-N 2.93Å; S226-T228 VanDerWaalsContact O-N 3.15Å; S226-T228 PolarHBondContact OG-N 3.45Å; S226-T228 PolarHBondContact OG-OG1 3.3Å; S226-T229 PolarHBondContact N-OG1 3.02Å; S226-T229 PolarHBondContact O-N 3.01Å; S226-T229 PolarHBondContact O-OG1 3.2Å; S226-T229 PolarHBondContact OG-N 3.46Å; S226-T229 PolarHBondContact OG-OG1 3.04Å; S226-F230 PolarHBondContact O-N 3.29Å; S226-S254 WeakPolarHBondContact CB-OG 3.34Å; S226-W259 WeakPolarHBondContact O-CH2 3.42Å
227V94.8Very high90.6Very high26 Ų2667.1 Ų67.116%0.15836%0.364CS..THydrogen-bonded Turntrans-55.7-32.8175.5-63.70000112.5S254 D258 W259 F262V227-S254 PolarHBondContact N-OG 3.09Å; V227-D258 HydrophobicContact CG1-CB 4.12Å; V227-W259 HydrophobicContact CG1-CD2 3.68Å; V227-W259 HydrophobicContact CG1-CE3 3.61Å; V227-W259 HydrophobicContact CG1-CG 4.13Å; V227-W259 HydrophobicContact CG1-CH2 4.46Å; V227-W259 HydrophobicContact CG1-CZ3 4Å; V227-F262 HydrophobicContact CB-CB 4.08Å; V227-F262 HydrophobicContact CB-CD1 4.42Å; V227-F262 HydrophobicContact CB-CD2 4.12Å; V227-F262 HydrophobicContact CB-CG 3.94Å; V227-F262 HydrophobicContact CG1-CB 3.81Å; V227-F262 HydrophobicContact CG1-CD1 4.49Å; V227-F262 HydrophobicContact CG1-CG 4.11Å; V227-F262 WeakPolarHBondContact O-CE2 3.25Å; V227-F262 WeakPolarHBondContact O-CZ 3.48Å
228T93Very high90.7Very high127 Ų12767 Ų6778%0.77936%0.363SS*.THydrogen-bonded Turntrans-79.5-21.1-179.850.50000114.2S226S226-T228 PolarHBondContact O-N 2.93Å; S226-T228 VanDerWaalsContact O-N 3.15Å; S226-T228 PolarHBondContact OG-N 3.45Å; S226-T228 PolarHBondContact OG-OG1 3.3Å
229T92.7Very high90.8Very high43 Ų4360.6 Ų60.626%0.26433%0.334SS..THydrogen-bonded Turntrans-106.3-5.7-178.553.60000112.6Q224 S226 D231 S232 F233Q224-T229 PolarHBondContact O-OG1 2.97Å; S226-T229 PolarHBondContact N-OG1 3.02Å; S226-T229 PolarHBondContact O-N 3.01Å; S226-T229 PolarHBondContact O-OG1 3.2Å; S226-T229 PolarHBondContact OG-N 3.46Å; S226-T229 PolarHBondContact OG-OG1 3.04Å; T229-D231 VanDerWaalsContact C-N 3.34Å; T229-D231 PolarHBondContact O-N 3.41Å; T229-S232 WeakPolarHBondContact O-CB 3.17Å; T229-S232 PolarHBondContact O-N 2.99Å; T229-S232 PolarHBondContact O-OG 3.02Å; T229-F233 WeakPolarHBondContact O-CD2 3.45Å
230F93.1Very high91Very high2 Ų262 Ų621%0.00934%0.34CS..G310 helixtrans-49-51.3-177.4179.7-94.9000113F225 S226 S232 F233 Q238 L242 W259 F262 L263 L266 L272F225-F230 HydrophobicContact CE1-CD2 4.23Å; F225-F230 HydrophobicContact CE2-CD2 4.1Å; F225-F230 AromaticContact CZ-CD2 3.47Å; F225-F230 HydrophobicContact CZ-CD2 3.47Å; F225-F230 VanDerWaalsContact CZ-CD2 3.47Å; F225-F230 AromaticContact CZ-CE2 3.95Å; F225-F230 HydrophobicContact CZ-CE2 3.95Å; F225-F230 HydrophobicContact CZ-CG 4.47Å; S226-F230 PolarHBondContact O-N 3.29Å; F230-S232 PolarHBondContact O-N 2.88Å; F230-F233 PolarHBondContact O-N 3.4Å; F230-Q238 HydrophobicContact CD2-CG 4.34Å; F230-Q238 VanDerWaalsContact CE1-CD 3.47Å; F230-Q238 HydrophobicContact CE1-CG 4.23Å; F230-Q238 HydrophobicContact CE2-CB 3.71Å; F230-Q238 HydrophobicContact CE2-CG 3.84Å; F230-Q238 HydrophobicContact CZ-CB 3.76Å; F230-Q238 VanDerWaalsContact CZ-CD 3.43Å; F230-Q238 HydrophobicContact CZ-CG 3.79Å; F230-Q238 PolarHBondContact O-NE2 3.3Å; F230-L242 HydrophobicContact CD2-CD2 4.44Å; F230-L242 HydrophobicContact CE2-CD1 3.71Å; F230-L242 HydrophobicContact CE2-CD2 4.2Å; F230-L242 HydrophobicContact CE2-CG 3.95Å; F230-L242 HydrophobicContact CZ-CD1 4.34Å; F230-W259 HydrophobicContact CB-CH2 4.47Å; F230-W259 HydrophobicContact CB-CZ3 4.29Å; F230-W259 HydrophobicContact CD2-CH2 4.2Å; F230-W259 AromaticContact CD2-CZ3 3.79Å; F230-W259 HydrophobicContact CD2-CZ3 3.79Å; F230-W259 HydrophobicContact CG-CZ3 4.34Å; F230-F262 HydrophobicContact CB-CE1 3.86Å; F230-F262 HydrophobicContact CB-CZ 4.2Å; F230-F262 AromaticContact CD1-CE1 3.65Å; F230-F262 HydrophobicContact CD1-CE1 3.65Å; F230-F262 HydrophobicContact CD1-CZ 4.2Å; F230-F262 HydrophobicContact CE1-CE1 4.39Å; F230-F262 AromaticContact CG-CE1 3.8Å; F230-F262 HydrophobicContact CG-CE1 3.8Å; F230-F262 HydrophobicContact CG-CZ 4.47Å; F230-L263 HydrophobicContact CE2-CD2 4.36Å; F230-L263 HydrophobicContact CZ-CD2 4.36Å; F230-L266 HydrophobicContact CE1-CD1 4.03Å; F230-L266 HydrophobicContact CZ-CD1 4.39Å; F230-L272 HydrophobicContact CZ-CD1 4.26Å
231D91.3Very high91.3Very high119 Ų11959.2 Ų59.264%0.63632%0.321SS*.G310 helixtrans-70.3-10.9-177.9-66.7-37.4000114.2T229 F233T229-D231 VanDerWaalsContact C-N 3.34Å; T229-D231 PolarHBondContact O-N 3.41Å; D231-F233 VanDerWaalsContact C-N 3.32Å
232S91Very high91.7Very high89 Ų8952.8 Ų52.862%0.62229%0.287SS*.G310 helixtrans-79.6-14.9176.374.60000113.5T229 F230T229-S232 WeakPolarHBondContact O-CB 3.17Å; T229-S232 PolarHBondContact O-N 2.99Å; T229-S232 PolarHBondContact O-OG 3.02Å; F230-S232 PolarHBondContact O-N 2.88Å
233F90.5Very high92Very high36 Ų3644.7 Ų44.716%0.15825%0.252CS..SBendtrans-97.3145.9178.9-72.6-96.9000111.5L192 F225 T229 F230 D231 Q238 L241L192-F233 HydrophobicContact CB-CE1 4.05Å; L192-F233 HydrophobicContact CB-CZ 4.4Å; F225-F233 AromaticContact CD2-CD2 3.65Å; F225-F233 HydrophobicContact CD2-CD2 3.65Å; F225-F233 AromaticContact CD2-CE2 3.79Å; F225-F233 HydrophobicContact CD2-CE2 3.79Å; F225-F233 HydrophobicContact CD2-CG 4.21Å; F225-F233 HydrophobicContact CD2-CZ 4.43Å; F225-F233 HydrophobicContact CE2-CB 4.31Å; F225-F233 AromaticContact CE2-CD2 3.84Å; F225-F233 HydrophobicContact CE2-CD2 3.84Å; F225-F233 HydrophobicContact CE2-CE2 4.44Å; F225-F233 HydrophobicContact CE2-CG 4.15Å; T229-F233 WeakPolarHBondContact O-CD2 3.45Å; F230-F233 PolarHBondContact O-N 3.4Å; D231-F233 VanDerWaalsContact C-N 3.32Å; F233-Q238 HydrophobicContact CB-CG 4.29Å; F233-Q238 PolarHBondContact O-NE2 3.15Å; F233-Q238 VanDerWaalsContact O-NE2 3.09Å; F233-L241 HydrophobicContact CB-CD1 4.3Å; F233-L241 HydrophobicContact CD1-CD1 3.53Å; F233-L241 HydrophobicContact CE1-CD1 3.93Å; F233-L241 HydrophobicContact CG-CD1 3.87Å
234P89.6Confident92.2Very high75 Ų7542.3 Ų42.349%0.48724%0.242SC..  trans-53.3141.9171.2-24.831.7000112.6E236 L237 Q238P234-E236 PolarHBondContact O-N 3.44Å; P234-E236 VanDerWaalsContact O-N 3.11Å; P234-L237 HydrophobicContact CB-CG 4.48Å; P234-L237 HydrophobicContact CG-CD1 4.16Å; P234-L237 PolarHBondContact O-N 2.91Å; P234-Q238 WeakPolarHBondContact O-CG 3.43Å; P234-Q238 PolarHBondContact O-N 2.89Å
235S84.6Confident92.3Very high79 Ų7940.9 Ų40.955%0.55224%0.236SC*.Hα-helixtrans-54.7-33.7-178.152.20000114L237 Q238S235-L237 VanDerWaalsContact C-N 3.32Å; S235-L237 PolarHBondContact O-N 2.78Å; S235-Q238 PolarHBondContact O-N 3.44Å
236E82.6Confident92.3Very high163 Ų16341.2 Ų41.276%0.76224%0.237SC*.Hα-helixtrans-66.6-33.5177.8-63.6169-176.700112.5P234P234-E236 PolarHBondContact O-N 3.44Å; P234-E236 VanDerWaalsContact O-N 3.11Å
237L91.1Very high92.1Very high17 Ų1742 Ų429%0.08924%0.242CC..Hα-helixtrans-83.1-32.3177.9-64.7-178.9000111.9A194 T197 P234 S235 A239 K240 L241A194-L237 HydrophobicContact CB-CD1 4.08Å; A194-L237 HydrophobicContact CB-CD2 4.35Å; T197-L237 HydrophobicContact CG2-CD2 4.05Å; P234-L237 HydrophobicContact CB-CG 4.48Å; P234-L237 HydrophobicContact CG-CD1 4.16Å; P234-L237 PolarHBondContact O-N 2.91Å; S235-L237 VanDerWaalsContact C-N 3.32Å; S235-L237 PolarHBondContact O-N 2.78Å; L237-A239 VanDerWaalsContact C-N 3.31Å; L237-A239 PolarHBondContact O-N 2.96Å; L237-K240 PolarHBondContact O-N 2.81Å; L237-L241 HydrophobicContact CB-CD1 4.2Å; L237-L241 WeakPolarHBondContact O-CB 3.47Å; L237-L241 WeakPolarHBondContact O-CG 3.21Å; L237-L241 PolarHBondContact O-N 3.42Å
238Q93.8Very high91.9Very high15 Ų1548.7 Ų48.77%0.0726%0.264CS..Hα-helixtrans-51.8-47.2-178-75174.8-12.500112.6F230 F233 P234 S235 K240 L241 L242F230-Q238 HydrophobicContact CD2-CG 4.34Å; F230-Q238 VanDerWaalsContact CE1-CD 3.47Å; F230-Q238 HydrophobicContact CE1-CG 4.23Å; F230-Q238 HydrophobicContact CE2-CB 3.71Å; F230-Q238 HydrophobicContact CE2-CG 3.84Å; F230-Q238 HydrophobicContact CZ-CB 3.76Å; F230-Q238 VanDerWaalsContact CZ-CD 3.43Å; F230-Q238 HydrophobicContact CZ-CG 3.79Å; F230-Q238 PolarHBondContact O-NE2 3.3Å; F233-Q238 HydrophobicContact CB-CG 4.29Å; F233-Q238 PolarHBondContact O-NE2 3.15Å; F233-Q238 VanDerWaalsContact O-NE2 3.09Å; P234-Q238 WeakPolarHBondContact O-CG 3.43Å; P234-Q238 PolarHBondContact O-N 2.89Å; S235-Q238 PolarHBondContact O-N 3.44Å; Q238-K240 PolarHBondContact O-N 3.47Å; Q238-L241 PolarHBondContact O-N 2.68Å; Q238-L242 WeakPolarHBondContact O-CB 3.34Å; Q238-L242 VanDerWaalsContact O-CG 3.27Å; Q238-L242 WeakPolarHBondContact O-CG 3.5Å; Q238-L242 PolarHBondContact O-N 3.31Å
239A92.9Very high91.9Very high8 Ų842.8 Ų42.87%0.06623%0.228CC..Hα-helixtrans-64.3-39.7179.600000112.7L237 F243 L272 F279L237-A239 VanDerWaalsContact C-N 3.31Å; L237-A239 PolarHBondContact O-N 2.96Å; A239-F243 WeakPolarHBondContact O-CB 3.4Å; A239-F243 PolarHBondContact O-N 3.18Å; A239-L272 HydrophobicContact CB-CD2 4.18Å; A239-F279 HydrophobicContact CB-CE2 3.87Å
240K94.7Very high91.9Very high38 Ų3840.8 Ų40.817%0.16522%0.216CC..Hα-helixtrans-69.8-42.2178-69.9-175.9-179.1179.30111.5T197 E198 F201 L237 Q238 F243 L244 F279T197-K240 HydrophobicContact CG2-CB 3.84Å; T197-K240 HydrophobicContact CG2-CD 4.45Å; E198-K240 IonicContact OE1-NZ 3.77Å; E198-K240 PolarHBondContact OE1-NZ 3.35Å; E198-K240 IonicContact OE2-NZ 2.79Å; E198-K240 PolarHBondContact OE2-NZ 2.8Å; F201-K240 HydrophobicContact CD2-CB 4.07Å; F201-K240 HydrophobicContact CD2-CD 4.19Å; F201-K240 HydrophobicContact CD2-CG 3.9Å; F201-K240 HydrophobicContact CE2-CG 4.17Å; F201-K240 HydrophobicContact CG-CD 4.41Å; L237-K240 PolarHBondContact O-N 2.81Å; Q238-K240 PolarHBondContact O-N 3.47Å; K240-F243 WeakPolarHBondContact O-CB 3.33Å; K240-F243 PolarHBondContact O-N 3.42Å; K240-L244 WeakPolarHBondContact O-CB 3.38Å; K240-L244 VanDerWaalsContact O-CG 3.26Å; K240-L244 WeakPolarHBondContact O-CG 3.18Å; K240-L244 PolarHBondContact O-N 3.32Å; K240-F279 HydrophobicContact CB-CE2 4.43Å; K240-F279 HydrophobicContact CD-CZ 4.49Å; K240-F279 HydrophobicContact CG-CE1 4.48Å; K240-F279 HydrophobicContact CG-CE2 3.65Å; K240-F279 HydrophobicContact CG-CZ 3.62Å
241L95.7Very high91.8Very high2 Ų241.5 Ų41.51%0.0122%0.22CC..Hα-helixtrans-66-41.3177.2-69.4173.4000111.4L192 T197 F225 F233 L237 Q238 F243 L244 V245L192-L241 HydrophobicContact CB-CD2 4.25Å; L192-L241 HydrophobicContact CD1-CD2 4.16Å; L192-L241 HydrophobicContact CD2-CD2 4.08Å; L192-L241 HydrophobicContact CG-CD2 4.41Å; T197-L241 HydrophobicContact CG2-CD2 3.89Å; T197-L241 HydrophobicContact CG2-CG 4.12Å; F225-L241 HydrophobicContact CD1-CB 3.69Å; F225-L241 HydrophobicContact CD2-CB 4.12Å; F225-L241 HydrophobicContact CD2-CD1 3.72Å; F225-L241 HydrophobicContact CE1-CB 3.52Å; F225-L241 HydrophobicContact CE2-CB 3.98Å; F225-L241 HydrophobicContact CE2-CD1 3.75Å; F225-L241 HydrophobicContact CG-CB 3.98Å; F225-L241 HydrophobicContact CG-CD1 4.23Å; F225-L241 HydrophobicContact CZ-CB 3.66Å; F225-L241 HydrophobicContact CZ-CD1 4.27Å; F233-L241 HydrophobicContact CB-CD1 4.3Å; F233-L241 HydrophobicContact CD1-CD1 3.53Å; F233-L241 HydrophobicContact CE1-CD1 3.93Å; F233-L241 HydrophobicContact CG-CD1 3.87Å; L237-L241 HydrophobicContact CB-CD1 4.2Å; L237-L241 WeakPolarHBondContact O-CB 3.47Å; L237-L241 WeakPolarHBondContact O-CG 3.21Å; L237-L241 PolarHBondContact O-N 3.42Å; Q238-L241 PolarHBondContact O-N 2.68Å; L241-F243 VanDerWaalsContact C-N 3.34Å; L241-F243 PolarHBondContact O-N 3.24Å; L241-L244 HydrophobicContact CD2-CD1 4.4Å; L241-L244 PolarHBondContact O-N 3.39Å; L241-V245 WeakPolarHBondContact O-CB 3.32Å; L241-V245 WeakPolarHBondContact O-CG2 3.4Å; L241-V245 PolarHBondContact O-N 2.91Å
242L95.5Very high91.9Very high1 Ų137.4 Ų37.41%0.00520%0.202CC..Hα-helixtrans-57.7-47.7170.7-76173.9000111F225 F230 Q238 L244 V245 F246 W259 L263 L272 I276F225-L242 HydrophobicContact CE1-CD2 4Å; F225-L242 HydrophobicContact CE1-CG 4.06Å; F225-L242 HydrophobicContact CZ-CG 4.42Å; F230-L242 HydrophobicContact CD2-CD2 4.44Å; F230-L242 HydrophobicContact CE2-CD1 3.71Å; F230-L242 HydrophobicContact CE2-CD2 4.2Å; F230-L242 HydrophobicContact CE2-CG 3.95Å; F230-L242 HydrophobicContact CZ-CD1 4.34Å; Q238-L242 WeakPolarHBondContact O-CB 3.34Å; Q238-L242 VanDerWaalsContact O-CG 3.27Å; Q238-L242 WeakPolarHBondContact O-CG 3.5Å; Q238-L242 PolarHBondContact O-N 3.31Å; L242-L244 PolarHBondContact O-N 3.03Å; L242-V245 PolarHBondContact O-N 3.46Å; L242-F246 HydrophobicContact CB-CD2 4.39Å; L242-F246 HydrophobicContact CB-CE2 4.03Å; L242-F246 HydrophobicContact CB-CZ 4.38Å; L242-F246 HydrophobicContact CD2-CE1 4.15Å; L242-F246 HydrophobicContact CD2-CE2 4.04Å; L242-F246 HydrophobicContact CD2-CZ 3.57Å; L242-F246 HydrophobicContact CG-CZ 4.48Å; L242-F246 WeakPolarHBondContact O-CB 3.39Å; L242-F246 WeakPolarHBondContact O-CD2 3.23Å; L242-F246 WeakPolarHBondContact O-CG 3.42Å; L242-F246 PolarHBondContact O-N 3.33Å; L242-W259 HydrophobicContact CD2-CD2 4.28Å; L242-W259 HydrophobicContact CD2-CE3 3.73Å; L242-W259 HydrophobicContact CD2-CH2 4.03Å; L242-W259 HydrophobicContact CD2-CZ3 3.6Å; L242-L263 HydrophobicContact CD1-CD1 4.39Å; L242-L263 HydrophobicContact CD1-CD2 4.21Å; L242-L263 HydrophobicContact CD2-CD1 4.21Å; L242-L272 HydrophobicContact CD1-CD2 4.4Å; L242-I276 HydrophobicContact CB-CD1 4.05Å; L242-I276 HydrophobicContact CD1-CD1 4.1Å
243F94.5Very high92Very high0 Ų036.7 Ų36.70%019%0.194CC..Hα-helixtrans-58.1-46.1175.4170.4-96.9000112.2F201 A204 A239 K240 L241 V245 F246 T247 F279 C283 K285F201-F243 AromaticContact CD2-CD1 3.82Å; F201-F243 HydrophobicContact CD2-CD1 3.82Å; F201-F243 HydrophobicContact CD2-CE1 4.18Å; F201-F243 AromaticContact CE2-CD1 3.42Å; F201-F243 HydrophobicContact CE2-CD1 3.42Å; F201-F243 VanDerWaalsContact CE2-CD1 3.42Å; F201-F243 AromaticContact CE2-CE1 3.74Å; F201-F243 HydrophobicContact CE2-CE1 3.74Å; F201-F243 HydrophobicContact CE2-CG 4.1Å; F201-F243 HydrophobicContact CZ-CD1 4.31Å; F201-F243 HydrophobicContact CZ-CE1 4.25Å; A204-F243 HydrophobicContact CB-CE1 3.85Å; A204-F243 HydrophobicContact CB-CZ 4.39Å; A239-F243 WeakPolarHBondContact O-CB 3.4Å; A239-F243 PolarHBondContact O-N 3.18Å; K240-F243 WeakPolarHBondContact O-CB 3.33Å; K240-F243 PolarHBondContact O-N 3.42Å; L241-F243 VanDerWaalsContact C-N 3.34Å; L241-F243 PolarHBondContact O-N 3.24Å; F243-V245 VanDerWaalsContact C-N 3.34Å; F243-V245 PolarHBondContact O-N 3Å; F243-F246 PolarHBondContact O-N 2.98Å; F243-T247 HydrophobicContact CD2-CG2 3.96Å; F243-T247 HydrophobicContact CE1-CG2 4.38Å; F243-T247 HydrophobicContact CE2-CG2 3.6Å; F243-T247 HydrophobicContact CG-CG2 4.49Å; F243-T247 HydrophobicContact CZ-CG2 3.85Å; F243-T247 WeakPolarHBondContact O-CB 3.27Å; F243-T247 WeakPolarHBondContact O-CG2 3.27Å; F243-T247 PolarHBondContact O-N 3.34Å; F243-T247 PolarHBondContact O-OG1 2.89Å; F243-F279 HydrophobicContact CB-CB 4.34Å; F243-F279 HydrophobicContact CB-CD2 3.97Å; F243-F279 HydrophobicContact CD1-CB 4.34Å; F243-F279 HydrophobicContact CD2-CB 3.59Å; F243-F279 HydrophobicContact CE2-CB 3.91Å; F243-F279 HydrophobicContact CG-CB 3.82Å; F243-F279 HydrophobicContact CG-CD2 4.32Å; F243-F279 HydrophobicContact CG-CG 4.48Å; F243-F279 HydrophobicContact CZ-CB 4.4Å; F243-C283 HydrophobicContact CZ-CB 3.85Å; F243-K285 HydrophobicContact CZ-CB 4.45Å; F243-K285 HydrophobicContact CZ-CD 4.37Å
244L94.5Very high92.2Very high0 Ų035.9 Ų35.90%019%0.193CC..Hα-helixtrans-64.3-36.6179.3-72170.5000112.8T197 L200 K240 L241 L242 T247 R248 I249 V250T197-L244 HydrophobicContact CG2-CD1 4.15Å; L200-L244 HydrophobicContact CB-CD1 3.75Å; L200-L244 HydrophobicContact CB-CD2 4.15Å; L200-L244 HydrophobicContact CD1-CD1 4.46Å; K240-L244 WeakPolarHBondContact O-CB 3.38Å; K240-L244 VanDerWaalsContact O-CG 3.26Å; K240-L244 WeakPolarHBondContact O-CG 3.18Å; K240-L244 PolarHBondContact O-N 3.32Å; L241-L244 HydrophobicContact CD2-CD1 4.4Å; L241-L244 PolarHBondContact O-N 3.39Å; L242-L244 PolarHBondContact O-N 3.03Å; L244-T247 PolarHBondContact O-OG1 3.42Å; L244-R248 PolarHBondContact O-N 3.45Å; L244-I249 HydrophobicContact CD2-CB 3.95Å; L244-I249 HydrophobicContact CD2-CD1 4.07Å; L244-I249 HydrophobicContact CD2-CG1 4.4Å; L244-I249 HydrophobicContact CD2-CG2 3.98Å; L244-I249 PolarHBondContact O-N 3.01Å; L244-V250 HydrophobicContact CB-CB 4.29Å; L244-V250 HydrophobicContact CB-CG2 3.91Å; L244-V250 HydrophobicContact CD1-CG2 4.42Å; L244-V250 PolarHBondContact O-N 3.14Å; L244-V250 VanDerWaalsContact O-N 3.13Å
245V94.5Very high92.3Very high13 Ų1335.6 Ų35.68%0.07919%0.19CC..Hα-helixtrans-71.6-47.8174.8166.70000111.1F225 L241 L242 F243 T247 R248 V250 S252F225-V245 HydrophobicContact CD1-CG2 3.96Å; L241-V245 WeakPolarHBondContact O-CB 3.32Å; L241-V245 WeakPolarHBondContact O-CG2 3.4Å; L241-V245 PolarHBondContact O-N 2.91Å; L242-V245 PolarHBondContact O-N 3.46Å; F243-V245 VanDerWaalsContact C-N 3.34Å; F243-V245 PolarHBondContact O-N 3Å; V245-T247 VanDerWaalsContact C-N 3.27Å; V245-T247 PolarHBondContact O-N 2.99Å; V245-R248 WeakPolarHBondContact O-CA 3.48Å; V245-R248 PolarHBondContact O-N 3.25Å; V245-V250 HydrophobicContact CG2-CB 4.35Å; V245-V250 HydrophobicContact CG2-CG1 4.37Å; V245-S252 VanDerWaalsContact CG1-CB 3.48Å
246F93.8Very high92.8Very high7 Ų734 Ų343%0.03118%0.175CC..Hα-helixtrans-68.5-26.8-177.9-62-18.4000113L242 F243 R248 W259 L263 I276 L287 M291L242-F246 HydrophobicContact CB-CD2 4.39Å; L242-F246 HydrophobicContact CB-CE2 4.03Å; L242-F246 HydrophobicContact CB-CZ 4.38Å; L242-F246 HydrophobicContact CD2-CE1 4.15Å; L242-F246 HydrophobicContact CD2-CE2 4.04Å; L242-F246 HydrophobicContact CD2-CZ 3.57Å; L242-F246 HydrophobicContact CG-CZ 4.48Å; L242-F246 WeakPolarHBondContact O-CB 3.39Å; L242-F246 WeakPolarHBondContact O-CD2 3.23Å; L242-F246 WeakPolarHBondContact O-CG 3.42Å; L242-F246 PolarHBondContact O-N 3.33Å; F243-F246 PolarHBondContact O-N 2.98Å; F246-R248 VanDerWaalsContact C-N 3.31Å; F246-W259 HydrophobicContact CE1-CB 4.03Å; F246-W259 AromaticContact CE1-CD1 3.96Å; F246-W259 HydrophobicContact CE1-CD2 4.18Å; F246-W259 AromaticContact CE1-CG 3.79Å; F246-W259 HydrophobicContact CE1-CG 3.79Å; F246-W259 HydrophobicContact CZ-CB 4.23Å; F246-W259 HydrophobicContact CZ-CG 4.28Å; F246-L263 HydrophobicContact CE2-CD1 4.41Å; F246-L263 HydrophobicContact CZ-CD1 3.93Å; F246-I276 HydrophobicContact CD2-CD1 4.32Å; F246-I276 HydrophobicContact CE2-CD1 3.99Å; F246-L287 HydrophobicContact CB-CD1 4.32Å; F246-L287 HydrophobicContact CB-CD2 3.74Å; F246-L287 HydrophobicContact CD2-CD1 4.34Å; F246-M291 HydrophobicContact CD1-CE 4.01Å; F246-M291 HydrophobicContact CD1-CG 4.32Å; F246-M291 HydrophobicContact CD2-CE 3.9Å; F246-M291 HydrophobicContact CE1-CE 3.57Å; F246-M291 HydrophobicContact CE1-SD 4.36Å; F246-M291 HydrophobicContact CE2-CE 3.43Å; F246-M291 VanDerWaalsContact CE2-CE 3.43Å; F246-M291 HydrophobicContact CG-CE 4.17Å; F246-M291 HydrophobicContact CG-CG 4.42Å; F246-M291 HydrophobicContact CZ-CE 3.25Å
247T90.8Very high93.3Very high21 Ų2129.2 Ų29.213%0.12916%0.16CC..THydrogen-bonded Turntrans-88.14.1170.858.40000113.6F243 L244 V245 I249 K285 L287F243-T247 HydrophobicContact CD2-CG2 3.96Å; F243-T247 HydrophobicContact CE1-CG2 4.38Å; F243-T247 HydrophobicContact CE2-CG2 3.6Å; F243-T247 HydrophobicContact CG-CG2 4.49Å; F243-T247 HydrophobicContact CZ-CG2 3.85Å; F243-T247 WeakPolarHBondContact O-CB 3.27Å; F243-T247 WeakPolarHBondContact O-CG2 3.27Å; F243-T247 PolarHBondContact O-N 3.34Å; F243-T247 PolarHBondContact O-OG1 2.89Å; L244-T247 PolarHBondContact O-OG1 3.42Å; V245-T247 VanDerWaalsContact C-N 3.27Å; V245-T247 PolarHBondContact O-N 2.99Å; T247-I249 PolarHBondContact O-N 3.39Å; T247-K285 HydrophobicContact CG2-CB 4.37Å; T247-K285 HydrophobicContact CG2-CD 3.95Å; T247-L287 HydrophobicContact CG2-CD2 3.6Å
248R90.2Very high93.6Very high168 Ų16831.8 Ų31.863%0.63417%0.174SC*.THydrogen-bonded Turntrans56.527.2179.3-57.7-175.2174.3-177.8-1.6114.8T216 L244 V245 F246 V250T216-R248 VanDerWaalsContact CB-O 3.3Å; T216-R248 WeakPolarHBondContact CB-O 3.43Å; T216-R248 VanDerWaalsContact CG2-O 3.29Å; T216-R248 WeakPolarHBondContact CG2-O 3.41Å; T216-R248 PolarHBondContact OG1-O 3.41Å; L244-R248 PolarHBondContact O-N 3.45Å; V245-R248 WeakPolarHBondContact O-CA 3.48Å; V245-R248 PolarHBondContact O-N 3.25Å; F246-R248 VanDerWaalsContact C-N 3.31Å; R248-V250 VanDerWaalsContact C-N 3.34Å
249I91.6Very high93.7Very high2 Ų231.1 Ų31.11%0.0117%0.171CC..SBendtrans-71.6-39.8166.9-62.4-157.9000109.6A204 I207 F214 L217 L244 T247A204-I249 HydrophobicContact CB-CD1 3.27Å; I207-I249 HydrophobicContact CD1-CD1 4.05Å; F214-I249 HydrophobicContact CE1-CG2 3.99Å; F214-I249 HydrophobicContact CZ-CG2 4.4Å; L217-I249 VanDerWaalsContact CB-O 3.28Å; L217-I249 WeakPolarHBondContact CB-O 3.15Å; L217-I249 PolarHBondContact N-O 2.53Å; L244-I249 HydrophobicContact CD2-CB 3.95Å; L244-I249 HydrophobicContact CD2-CD1 4.07Å; L244-I249 HydrophobicContact CD2-CG1 4.4Å; L244-I249 HydrophobicContact CD2-CG2 3.98Å; L244-I249 PolarHBondContact O-N 3.01Å; T247-I249 PolarHBondContact O-N 3.39Å
250V93.4Very high93.8Very high2 Ų232.3 Ų32.31%0.01218%0.177CC..BIsolated β-bridgetrans-112.4135.5179.4177.70000109.2L192 L200 T216 I219 L244 V245 R248L192-V250 HydrophobicContact CD2-CG1 4.27Å; L192-V250 HydrophobicContact CD2-CG2 4.42Å; L200-V250 HydrophobicContact CD1-CG2 3.99Å; T216-V250 VanDerWaalsContact CG2-C 3.49Å; I219-V250 HydrophobicContact CD1-CG1 4.08Å; I219-V250 HydrophobicContact CG1-CG1 3.42Å; I219-V250 VanDerWaalsContact CG1-CG1 3.42Å; L244-V250 HydrophobicContact CB-CB 4.29Å; L244-V250 HydrophobicContact CB-CG2 3.91Å; L244-V250 HydrophobicContact CD1-CG2 4.42Å; L244-V250 PolarHBondContact O-N 3.14Å; L244-V250 VanDerWaalsContact O-N 3.13Å; V245-V250 HydrophobicContact CG2-CB 4.35Å; V245-V250 HydrophobicContact CG2-CG1 4.37Å; R248-V250 VanDerWaalsContact C-N 3.34Å
251S91.9Very high93.9Very high16 Ų1634.6 Ų34.611%0.11220%0.198CC..  trans-71.3142.6175.548.10000111.5T216 L217 Q218 I219T216-S251 VanDerWaalsContact CG2-N 3.25Å; L217-S251 WeakPolarHBondContact O-CB 3.48Å; L217-S251 PolarHBondContact O-N 3.43Å; L217-S251 PolarHBondContact O-OG 3.22Å; Q218-S251 WeakPolarHBondContact CA-OG 3.38Å; I219-S251 PolarHBondContact N-OG 2.92Å; I219-S251 VanDerWaalsContact N-OG 3.13Å
252S92.8Very high93.9Very high34 Ų3437.2 Ų37.224%0.23821%0.209CC..  trans-134.4140.8172.1-171.40000109.5F225 V245 S254F225-S252 PolarHBondContact O-OG 3.03Å; V245-S252 VanDerWaalsContact CG1-CB 3.48Å; S252-S254 VanDerWaalsContact C-N 3.28Å
253P92.8Very high93.9Very high73 Ų7337.3 Ų37.347%0.47421%0.21SC..SBendtrans-79.9-18.8177.835.5-35.7000111.1Q224Q224-P253 VanDerWaalsContact CG-CD 3.49Å; Q224-P253 HydrophobicContact CG-CG 3.91Å; Q224-P253 VanDerWaalsContact NE2-CD 3.29Å
254S94Very high93.9Very high19 Ų1943.4 Ų43.413%0.13324%0.236CC..SBendtrans-78.2136.2179.2-59.70000110.3S226 V227 S252S226-S254 WeakPolarHBondContact CB-OG 3.34Å; V227-S254 PolarHBondContact N-OG 3.09Å; S252-S254 VanDerWaalsContact C-N 3.28Å
255T93.5Very high93.9Very high69 Ų6948.2 Ų48.242%0.42327%0.268SS..  trans-74.8163.2174.465.20000110.9S257 D258 W259T255-S257 PolarHBondContact O-N 3.44Å; T255-S257 PolarHBondContact OG1-OG 2.96Å; T255-D258 WeakPolarHBondContact CB-OD2 3.39Å; T255-D258 PolarHBondContact N-OD2 3.49Å; T255-D258 WeakPolarHBondContact O-CB 3.33Å; T255-D258 PolarHBondContact O-N 3.36Å; T255-D258 VanDerWaalsContact O-N 3.13Å; T255-D258 PolarHBondContact OG1-N 3.17Å; T255-D258 PolarHBondContact OG1-OD1 3.12Å; T255-D258 PolarHBondContact OG1-OD2 2.87Å; T255-W259 PolarHBondContact O-N 3.37Å; T255-W259 VanDerWaalsContact O-N 3.15Å
256N93.4Very high93.8Very high45 Ų4549.5 Ų49.524%0.24127%0.274CS..Hα-helixtrans-55.2-41.2173-70-9.7000111.8D258 W259 V260 C288 E290 M291N256-D258 VanDerWaalsContact C-N 3.31Å; N256-D258 PolarHBondContact O-N 3.46Å; N256-W259 WeakPolarHBondContact O-CB 3.49Å; N256-W259 PolarHBondContact O-N 2.91Å; N256-V260 WeakPolarHBondContact O-CG2 3.29Å; N256-V260 PolarHBondContact O-N 2.92Å; N256-C288 PolarHBondContact ND2-SG 3.38Å; N256-C288 VanDerWaalsContact ND2-SG 3.45Å; N256-E290 VanDerWaalsContact CB-OE2 3.24Å; N256-E290 WeakPolarHBondContact CB-OE2 3.2Å; N256-E290 PolarHBondContact ND2-OE2 3.37Å; N256-M291 HydrophobicContact CB-CG 4.32Å; N256-M291 HydrophobicContact CB-SD 3.84Å
257S94.6Very high93.7Very high63 Ų6360.9 Ų60.944%0.44132%0.317SS..Hα-helixtrans-63.2-35.3177.943.90000113.3T255 S261T255-S257 PolarHBondContact O-N 3.44Å; T255-S257 PolarHBondContact OG1-OG 2.96Å; S257-S261 WeakPolarHBondContact O-CB 3.37Å; S257-S261 PolarHBondContact O-N 3.25Å; S257-S261 PolarHBondContact O-OG 3.21Å
258D95.8Very high93.7Very high71 Ų7162.9 Ų62.938%0.3833%0.327SS..Hα-helixtrans-65-46.2175-58.8-39.1000109.8V227 T255 N256 S261 F262V227-D258 HydrophobicContact CG1-CB 4.12Å; T255-D258 WeakPolarHBondContact CB-OD2 3.39Å; T255-D258 PolarHBondContact N-OD2 3.49Å; T255-D258 WeakPolarHBondContact O-CB 3.33Å; T255-D258 PolarHBondContact O-N 3.36Å; T255-D258 VanDerWaalsContact O-N 3.13Å; T255-D258 PolarHBondContact OG1-N 3.17Å; T255-D258 PolarHBondContact OG1-OD1 3.12Å; T255-D258 PolarHBondContact OG1-OD2 2.87Å; N256-D258 VanDerWaalsContact C-N 3.31Å; N256-D258 PolarHBondContact O-N 3.46Å; D258-S261 PolarHBondContact O-N 2.91Å; D258-F262 VanDerWaalsContact O-CB 3.28Å; D258-F262 WeakPolarHBondContact O-CB 3.37Å; D258-F262 PolarHBondContact O-N 3.03Å
259W96Very high94Very high1 Ų155.2 Ų55.20%0.00430%0.298CS..Hα-helixtrans-61.3-47.9177.3-78.6114.7000112.4F225 S226 V227 F230 L242 F246 T255 N256 S261 F262 L263F225-W259 AromaticContact CD1-CH2 3.91Å; F225-W259 HydrophobicContact CD1-CH2 3.91Å; F225-W259 HydrophobicContact CD1-CZ2 4.06Å; F225-W259 AromaticContact CE1-CH2 3.68Å; F225-W259 HydrophobicContact CE1-CH2 3.68Å; F225-W259 HydrophobicContact CE1-CZ2 4.21Å; F225-W259 HydrophobicContact CE1-CZ3 4.47Å; F225-W259 HydrophobicContact CZ-CH2 4.26Å; S226-W259 WeakPolarHBondContact O-CH2 3.42Å; V227-W259 HydrophobicContact CG1-CD2 3.68Å; V227-W259 HydrophobicContact CG1-CE3 3.61Å; V227-W259 HydrophobicContact CG1-CG 4.13Å; V227-W259 HydrophobicContact CG1-CH2 4.46Å; V227-W259 HydrophobicContact CG1-CZ3 4Å; F230-W259 HydrophobicContact CB-CH2 4.47Å; F230-W259 HydrophobicContact CB-CZ3 4.29Å; F230-W259 HydrophobicContact CD2-CH2 4.2Å; F230-W259 AromaticContact CD2-CZ3 3.79Å; F230-W259 HydrophobicContact CD2-CZ3 3.79Å; F230-W259 HydrophobicContact CG-CZ3 4.34Å; L242-W259 HydrophobicContact CD2-CD2 4.28Å; L242-W259 HydrophobicContact CD2-CE3 3.73Å; L242-W259 HydrophobicContact CD2-CH2 4.03Å; L242-W259 HydrophobicContact CD2-CZ3 3.6Å; F246-W259 HydrophobicContact CE1-CB 4.03Å; F246-W259 AromaticContact CE1-CD1 3.96Å; F246-W259 HydrophobicContact CE1-CD2 4.18Å; F246-W259 AromaticContact CE1-CG 3.79Å; F246-W259 HydrophobicContact CE1-CG 3.79Å; F246-W259 HydrophobicContact CZ-CB 4.23Å; F246-W259 HydrophobicContact CZ-CG 4.28Å; T255-W259 PolarHBondContact O-N 3.37Å; T255-W259 VanDerWaalsContact O-N 3.15Å; N256-W259 WeakPolarHBondContact O-CB 3.49Å; N256-W259 PolarHBondContact O-N 2.91Å; W259-S261 VanDerWaalsContact C-N 3.33Å; W259-S261 PolarHBondContact O-N 3.43Å; W259-F262 PolarHBondContact O-N 3.3Å; W259-L263 HydrophobicContact CE3-CD1 4.39Å; W259-L263 HydrophobicContact CE3-CG 4.34Å; W259-L263 VanDerWaalsContact O-CB 3.3Å; W259-L263 WeakPolarHBondContact O-CB 3.49Å; W259-L263 WeakPolarHBondContact O-CG 3.44Å; W259-L263 PolarHBondContact O-N 3.49Å
260V95.8Very high94.1Very high33 Ų3355.7 Ų55.720%0.230%0.301CS..Hα-helixtrans-58.4-47177.9170.30000110.8N256 F262 L263 K264 M291 F294N256-V260 WeakPolarHBondContact O-CG2 3.29Å; N256-V260 PolarHBondContact O-N 2.92Å; V260-F262 VanDerWaalsContact C-N 3.32Å; V260-F262 PolarHBondContact O-N 2.89Å; V260-L263 PolarHBondContact O-N 3.19Å; V260-K264 WeakPolarHBondContact O-CB 3.29Å; V260-K264 PolarHBondContact O-N 2.98Å; V260-K264 VanDerWaalsContact O-N 3.11Å; V260-M291 HydrophobicContact CG2-CE 4.37Å; V260-M291 HydrophobicContact CG2-SD 3.96Å; V260-F294 HydrophobicContact CG1-CD2 3.85Å; V260-F294 HydrophobicContact CG1-CE2 3.92Å; V260-F294 HydrophobicContact CG1-CG 4.4Å; V260-F294 HydrophobicContact CG2-CB 4.22Å; V260-F294 HydrophobicContact CG2-CD1 4.11Å; V260-F294 HydrophobicContact CG2-CD2 4.19Å; V260-F294 HydrophobicContact CG2-CG 3.9Å
261S95.6Very high94.2Very high86 Ų8657.5 Ų57.560%0.60131%0.31SS*.Hα-helixtrans-64.1-38.4-179.4-57.30000112.2S257 D258 W259 P265S257-S261 WeakPolarHBondContact O-CB 3.37Å; S257-S261 PolarHBondContact O-N 3.25Å; S257-S261 PolarHBondContact O-OG 3.21Å; D258-S261 PolarHBondContact O-N 2.91Å; W259-S261 VanDerWaalsContact C-N 3.33Å; W259-S261 PolarHBondContact O-N 3.43Å; S261-P265 VanDerWaalsContact O-CD 3.3Å; S261-P265 WeakPolarHBondContact O-CD 3.44Å
262F96.2Very high94.3Very high57 Ų5757.2 Ų57.225%0.2531%0.307CS..Hα-helixtrans-73.4-42.6179.5-178.9-94.3000112.9V227 F230 D258 W259 V260 P265 L266V227-F262 HydrophobicContact CB-CB 4.08Å; V227-F262 HydrophobicContact CB-CD1 4.42Å; V227-F262 HydrophobicContact CB-CD2 4.12Å; V227-F262 HydrophobicContact CB-CG 3.94Å; V227-F262 HydrophobicContact CG1-CB 3.81Å; V227-F262 HydrophobicContact CG1-CD1 4.49Å; V227-F262 HydrophobicContact CG1-CG 4.11Å; V227-F262 WeakPolarHBondContact O-CE2 3.25Å; V227-F262 WeakPolarHBondContact O-CZ 3.48Å; F230-F262 HydrophobicContact CB-CE1 3.86Å; F230-F262 HydrophobicContact CB-CZ 4.2Å; F230-F262 AromaticContact CD1-CE1 3.65Å; F230-F262 HydrophobicContact CD1-CE1 3.65Å; F230-F262 HydrophobicContact CD1-CZ 4.2Å; F230-F262 HydrophobicContact CE1-CE1 4.39Å; F230-F262 AromaticContact CG-CE1 3.8Å; F230-F262 HydrophobicContact CG-CE1 3.8Å; F230-F262 HydrophobicContact CG-CZ 4.47Å; D258-F262 VanDerWaalsContact O-CB 3.28Å; D258-F262 WeakPolarHBondContact O-CB 3.37Å; D258-F262 PolarHBondContact O-N 3.03Å; W259-F262 PolarHBondContact O-N 3.3Å; V260-F262 VanDerWaalsContact C-N 3.32Å; V260-F262 PolarHBondContact O-N 2.89Å; F262-P265 VanDerWaalsContact O-CD 3.29Å; F262-P265 WeakPolarHBondContact O-CD 3.27Å; F262-P265 WeakPolarHBondContact O-CG 3.31Å; F262-L266 HydrophobicContact CE1-CD1 4.44Å
263L95.9Very high94.4Very high4 Ų455.6 Ų55.62%0.02130%0.296CS..Hα-helixtrans-75.8-34.1-174.7-68.7175.6000112.6F230 L242 F246 W259 V260 L266 L269 F294F230-L263 HydrophobicContact CE2-CD2 4.36Å; F230-L263 HydrophobicContact CZ-CD2 4.36Å; L242-L263 HydrophobicContact CD1-CD1 4.39Å; L242-L263 HydrophobicContact CD1-CD2 4.21Å; L242-L263 HydrophobicContact CD2-CD1 4.21Å; F246-L263 HydrophobicContact CE2-CD1 4.41Å; F246-L263 HydrophobicContact CZ-CD1 3.93Å; W259-L263 HydrophobicContact CE3-CD1 4.39Å; W259-L263 HydrophobicContact CE3-CG 4.34Å; W259-L263 VanDerWaalsContact O-CB 3.3Å; W259-L263 WeakPolarHBondContact O-CB 3.49Å; W259-L263 WeakPolarHBondContact O-CG 3.44Å; W259-L263 PolarHBondContact O-N 3.49Å; V260-L263 PolarHBondContact O-N 3.19Å; L263-L266 HydrophobicContact CD2-CD1 3.59Å; L263-L266 VanDerWaalsContact O-CB 3.28Å; L263-L266 WeakPolarHBondContact O-CB 3.42Å; L263-L266 WeakPolarHBondContact O-CG 3.36Å; L263-L266 PolarHBondContact O-N 3.4Å; L263-L269 HydrophobicContact CB-CD1 3.97Å; L263-F294 HydrophobicContact CB-CE1 4.16Å; L263-F294 HydrophobicContact CB-CZ 4.03Å; L263-F294 HydrophobicContact CD1-CE1 4.12Å
264K94.6Very high94.4Very high127 Ų12752.1 Ų52.155%0.55227%0.273SS*.THydrogen-bonded Turntrans-51.4-43.1-176.2-165.5164.6-167.5160.30115.8V260 L266 E298V260-K264 WeakPolarHBondContact O-CB 3.29Å; V260-K264 PolarHBondContact O-N 2.98Å; V260-K264 VanDerWaalsContact O-N 3.11Å; K264-L266 VanDerWaalsContact C-N 3.3Å; K264-L266 PolarHBondContact O-N 3.03Å; K264-E298 WeakPolarHBondContact CE-OE1 3.44Å; K264-E298 IonicContact NZ-OE1 3.69Å
265P94.7Very high94.4Very high102 Ų10252.8 Ų52.866%0.66228%0.278SS*.THydrogen-bonded Turntrans-78.2-5.517829.7-36.8000115S261 F262S261-P265 VanDerWaalsContact O-CD 3.3Å; S261-P265 WeakPolarHBondContact O-CD 3.44Å; F262-P265 VanDerWaalsContact O-CD 3.29Å; F262-P265 WeakPolarHBondContact O-CD 3.27Å; F262-P265 WeakPolarHBondContact O-CG 3.31Å
266L93.3Very high94.4Very high40 Ų4049.7 Ų49.721%0.20926%0.258CS..  trans-68.4133.6-177.9-66.2178.5000111.4F230 F262 L263 K264 N268 L269 L272F230-L266 HydrophobicContact CE1-CD1 4.03Å; F230-L266 HydrophobicContact CZ-CD1 4.39Å; F262-L266 HydrophobicContact CE1-CD1 4.44Å; L263-L266 HydrophobicContact CD2-CD1 3.59Å; L263-L266 VanDerWaalsContact O-CB 3.28Å; L263-L266 WeakPolarHBondContact O-CB 3.42Å; L263-L266 WeakPolarHBondContact O-CG 3.36Å; L263-L266 PolarHBondContact O-N 3.4Å; K264-L266 VanDerWaalsContact C-N 3.3Å; K264-L266 PolarHBondContact O-N 3.03Å; L266-N268 VanDerWaalsContact C-N 3.3Å; L266-N268 PolarHBondContact O-N 3.41Å; L266-L269 HydrophobicContact CB-CB 4.4Å; L266-L269 VanDerWaalsContact O-CB 3.29Å; L266-L269 WeakPolarHBondContact O-CB 3.39Å; L266-L269 PolarHBondContact O-N 2.97Å; L266-L272 HydrophobicContact CD1-CD1 4.09Å
267R90.2Very high94.3Very high246 Ų24647.5 Ų47.593%0.92825%0.247SC*.THydrogen-bonded Turntrans-65.9-31.7-179.6-71.5-175.4178.8177-0.1113.5L269R267-L269 VanDerWaalsContact C-N 3.34Å
268N92Very high94.1Very high62 Ų6246 Ų4633%0.33223%0.234SC..THydrogen-bonded Turntrans-95.215.4179.966-32.6000112.9L266 P270 E271 L272L266-N268 VanDerWaalsContact C-N 3.3Å; L266-N268 PolarHBondContact O-N 3.41Å; N268-P270 VanDerWaalsContact C-CD 3.4Å; N268-P270 VanDerWaalsContact C-N 3.32Å; N268-E271 VanDerWaalsContact CA-OE2 3.27Å; N268-E271 WeakPolarHBondContact CA-OE2 3.31Å; N268-E271 PolarHBondContact O-N 2.87Å; N268-L272 PolarHBondContact O-N 2.97Å
269L95.2Very high93.8Very high8 Ų843.7 Ų43.74%0.04222%0.221CC..Hα-helixtrans-53.2-43.6177.8-179.463.7000112.7L263 L266 R267 E271 L272 C273 F294 E298L263-L269 HydrophobicContact CB-CD1 3.97Å; L266-L269 HydrophobicContact CB-CB 4.4Å; L266-L269 VanDerWaalsContact O-CB 3.29Å; L266-L269 WeakPolarHBondContact O-CB 3.39Å; L266-L269 PolarHBondContact O-N 2.97Å; R267-L269 VanDerWaalsContact C-N 3.34Å; L269-E271 VanDerWaalsContact C-N 3.33Å; L269-E271 PolarHBondContact O-N 3.24Å; L269-L272 WeakPolarHBondContact O-CB 3.42Å; L269-L272 PolarHBondContact O-N 3.26Å; L269-C273 WeakPolarHBondContact O-CB 3.48Å; L269-C273 PolarHBondContact O-N 3.21Å; L269-C273 PolarHBondContact O-SG 2.61Å; L269-F294 HydrophobicContact CD1-CE1 4.38Å; L269-F294 HydrophobicContact CD1-CZ 4.09Å; L269-F294 HydrophobicContact CD2-CZ 4.23Å; L269-E298 HydrophobicContact CD2-CB 4.29Å; L269-E298 HydrophobicContact CD2-CG 4.14Å
270P94.9Very high93.5Very high11 Ų1143.8 Ų43.87%0.07122%0.221CC..Hα-helixtrans-60-40.8-179.7-25.337.3000113.1N268 C273 A274 S302 Y306 I318N268-P270 VanDerWaalsContact C-CD 3.4Å; N268-P270 VanDerWaalsContact C-N 3.32Å; P270-C273 PolarHBondContact O-N 3.14Å; P270-A274 WeakPolarHBondContact O-CB 3.39Å; P270-A274 PolarHBondContact O-N 2.95Å; P270-S302 WeakPolarHBondContact CG-OG 3.27Å; P270-Y306 HydrophobicContact CB-CE2 4.48Å; P270-I318 HydrophobicContact CB-CG2 3.76Å
271E94.7Very high93Very high40 Ų4043 Ų4319%0.18722%0.216CC..Hα-helixtrans-69.4-37.7176.6-64.290.2159.100112.5N268 L269 A274 S275 R317 I318N268-E271 VanDerWaalsContact CA-OE2 3.27Å; N268-E271 WeakPolarHBondContact CA-OE2 3.31Å; N268-E271 PolarHBondContact O-N 2.87Å; L269-E271 VanDerWaalsContact C-N 3.33Å; L269-E271 PolarHBondContact O-N 3.24Å; E271-A274 PolarHBondContact O-N 3.11Å; E271-S275 WeakPolarHBondContact O-CB 3.45Å; E271-S275 PolarHBondContact O-N 2.61Å; E271-S275 PolarHBondContact O-OG 3.21Å; E271-R317 HydrophobicContact CG-CG 3.99Å; E271-R317 VanDerWaalsContact OE1-CD 3.24Å; E271-R317 WeakPolarHBondContact OE1-CD 3.07Å; E271-R317 IonicContact OE1-CZ 2.71Å; E271-R317 IonicContact OE1-NE 2.78Å; E271-R317 IonicContact OE1-NH1 3.32Å; E271-R317 PolarHBondContact OE1-NH1 2.88Å; E271-I318 HydrophobicContact CG-CG2 4.24Å
272L94.3Very high92.4Very high10 Ų1044 Ų445%0.05221%0.209CC..Hα-helixtrans-63-47.1173.5-75.7168.4000110.7F230 A239 L242 L266 N268 L269 A274 S275 I276F230-L272 HydrophobicContact CZ-CD1 4.26Å; A239-L272 HydrophobicContact CB-CD2 4.18Å; L242-L272 HydrophobicContact CD1-CD2 4.4Å; L266-L272 HydrophobicContact CD1-CD1 4.09Å; N268-L272 PolarHBondContact O-N 2.97Å; L269-L272 WeakPolarHBondContact O-CB 3.42Å; L269-L272 PolarHBondContact O-N 3.26Å; L272-A274 PolarHBondContact O-N 3.3Å; L272-S275 WeakPolarHBondContact O-CB 3.41Å; L272-S275 PolarHBondContact O-N 3.16Å; L272-I276 WeakPolarHBondContact O-CG1 3.27Å; L272-I276 PolarHBondContact O-N 3.49Å
273C94.8Very high91.6Very high1 Ų141.4 Ų41.41%0.00720%0.198CC..Hα-helixtrans-59.9-47176.6-68.30000111.4L269 P270 S275 I276 I277 V295 W299L269-C273 WeakPolarHBondContact O-CB 3.48Å; L269-C273 PolarHBondContact O-N 3.21Å; L269-C273 PolarHBondContact O-SG 2.61Å; P270-C273 PolarHBondContact O-N 3.14Å; C273-S275 VanDerWaalsContact C-N 3.27Å; C273-S275 PolarHBondContact O-N 3.13Å; C273-I276 PolarHBondContact O-N 2.99Å; C273-I277 VanDerWaalsContact O-CG1 3.27Å; C273-I277 WeakPolarHBondContact O-CG1 3.48Å; C273-I277 PolarHBondContact O-N 3.28Å; C273-V295 HydrophobicContact CB-CG1 3.97Å; C273-W299 HydrophobicContact CB-CB 3.89Å
274A93.2Very high90.7Very high0 Ų046.7 Ų46.70%023%0.227CC..Hα-helixtrans-57.7-40.4175.800000112.4P270 E271 L272 N278 I318 P321 V322P270-A274 WeakPolarHBondContact O-CB 3.39Å; P270-A274 PolarHBondContact O-N 2.95Å; E271-A274 PolarHBondContact O-N 3.11Å; L272-A274 PolarHBondContact O-N 3.3Å; A274-N278 WeakPolarHBondContact O-CB 3.45Å; A274-N278 PolarHBondContact O-N 3.33Å; A274-I318 HydrophobicContact CB-CB 4.26Å; A274-I318 WeakPolarHBondContact CB-O 3.43Å; A274-P321 HydrophobicContact CB-CB 4.41Å; A274-P321 HydrophobicContact CB-CG 4.03Å; A274-V322 HydrophobicContact CB-CG2 4.29Å
275S93.3Very high90Very high33 Ų3342.5 Ų42.523%0.23121%0.208CC..Hα-helixtrans-67.4-42.3178.3-58.70000111.9E271 L272 C273 N278 F279E271-S275 WeakPolarHBondContact O-CB 3.45Å; E271-S275 PolarHBondContact O-N 2.61Å; E271-S275 PolarHBondContact O-OG 3.21Å; L272-S275 WeakPolarHBondContact O-CB 3.41Å; L272-S275 PolarHBondContact O-N 3.16Å; C273-S275 VanDerWaalsContact C-N 3.27Å; C273-S275 PolarHBondContact O-N 3.13Å; S275-N278 WeakPolarHBondContact O-CB 3.39Å; S275-N278 PolarHBondContact O-N 2.95Å; S275-F279 WeakPolarHBondContact O-CD2 3.38Å; S275-F279 WeakPolarHBondContact O-CG 3.37Å; S275-F279 PolarHBondContact O-N 3.27Å
276I93.2Very high89.2Confident3 Ų344.7 Ų44.72%0.01521%0.21CC..Hα-helixtrans-65.4-43.8176.5-66.6165.2000110.5L242 F246 L272 C273 N278 F279 C280 L287 V295L242-I276 HydrophobicContact CB-CD1 4.05Å; L242-I276 HydrophobicContact CD1-CD1 4.1Å; F246-I276 HydrophobicContact CD2-CD1 4.32Å; F246-I276 HydrophobicContact CE2-CD1 3.99Å; L272-I276 WeakPolarHBondContact O-CG1 3.27Å; L272-I276 PolarHBondContact O-N 3.49Å; C273-I276 PolarHBondContact O-N 2.99Å; I276-N278 VanDerWaalsContact C-N 3.34Å; I276-N278 PolarHBondContact O-N 2.82Å; I276-F279 PolarHBondContact O-N 3.42Å; I276-C280 PolarHBondContact O-N 2.78Å; I276-C280 PolarHBondContact O-SG 3.07Å; I276-L287 HydrophobicContact CG2-CD1 3.81Å; I276-V295 HydrophobicContact CB-CG1 4.26Å; I276-V295 HydrophobicContact CD1-CG2 4.34Å; I276-V295 HydrophobicContact CG2-CG1 4.18Å; I276-V295 HydrophobicContact CG2-CG2 4.31Å
277I91.8Very high89Confident0 Ų043.3 Ų43.30%020%0.203CC..Hα-helixtrans-57.9-49.1174.7-69.4165.9000110C273 F279 C280 L281 V295 T296 W299 V322 L330C273-I277 VanDerWaalsContact O-CG1 3.27Å; C273-I277 WeakPolarHBondContact O-CG1 3.48Å; C273-I277 PolarHBondContact O-N 3.28Å; I277-F279 VanDerWaalsContact C-N 3.29Å; I277-F279 PolarHBondContact O-N 2.98Å; I277-C280 WeakPolarHBondContact O-CB 3.5Å; I277-C280 PolarHBondContact O-N 3.27Å; I277-C280 VanDerWaalsContact O-N 3.09Å; I277-L281 HydrophobicContact CG2-CD1 3.88Å; I277-L281 HydrophobicContact CG2-CG 4.21Å; I277-L281 WeakPolarHBondContact O-CG 3.46Å; I277-L281 PolarHBondContact O-N 3.4Å; I277-V295 HydrophobicContact CD1-CG1 4.03Å; I277-V295 HydrophobicContact CG1-CG1 3.61Å; I277-T296 HydrophobicContact CD1-CG2 4.36Å; I277-T296 HydrophobicContact CG1-CG2 4.48Å; I277-W299 HydrophobicContact CD1-CB 3.77Å; I277-W299 HydrophobicContact CD1-CD2 3.74Å; I277-W299 HydrophobicContact CD1-CE3 3.98Å; I277-W299 HydrophobicContact CD1-CG 3.64Å; I277-V322 HydrophobicContact CB-CG2 4.21Å; I277-V322 HydrophobicContact CG2-CG1 3.89Å; I277-V322 HydrophobicContact CG2-CG2 3.88Å; I277-L330 HydrophobicContact CG2-CD1 3.4Å
278N90.4Very high89Confident30 Ų3033.5 Ų33.516%0.1617%0.171CC..Hα-helixtrans-54.3-45.3175.8172.434.8000111.9A274 S275 I276 L281 K282 P321 H325A274-N278 WeakPolarHBondContact O-CB 3.45Å; A274-N278 PolarHBondContact O-N 3.33Å; S275-N278 WeakPolarHBondContact O-CB 3.39Å; S275-N278 PolarHBondContact O-N 2.95Å; I276-N278 VanDerWaalsContact C-N 3.34Å; I276-N278 PolarHBondContact O-N 2.82Å; N278-L281 PolarHBondContact O-N 3.3Å; N278-K282 WeakPolarHBondContact O-CB 3.39Å; N278-K282 PolarHBondContact O-N 2.91Å; N278-P321 HydrophobicContact CB-CB 3.68Å; N278-P321 WeakPolarHBondContact CB-O 3.41Å; N278-P321 PolarHBondContact OD1-O 2.63Å; N278-H325 PolarHBondContact OD1-CD2 3.16Å; N278-H325 PolarHBondContact OD1-NE2 3.15Å
279F90Very high88.9Confident24 Ų2437.4 Ų37.411%0.10519%0.187CC..Hα-helixtrans-65.2-39.6176.8-62.4-31.3000112.6F201 A239 K240 F243 S275 I276 I277 K282 C283F201-F279 HydrophobicContact CE1-CD1 4.26Å; F201-F279 HydrophobicContact CE2-CB 3.82Å; F201-F279 AromaticContact CE2-CD1 3.68Å; F201-F279 HydrophobicContact CE2-CD1 3.68Å; F201-F279 AromaticContact CE2-CD2 3.8Å; F201-F279 HydrophobicContact CE2-CD2 3.8Å; F201-F279 HydrophobicContact CE2-CE1 4.15Å; F201-F279 HydrophobicContact CE2-CE2 4.25Å; F201-F279 AromaticContact CE2-CG 3.49Å; F201-F279 HydrophobicContact CE2-CG 3.49Å; F201-F279 VanDerWaalsContact CE2-CG 3.49Å; F201-F279 HydrophobicContact CE2-CZ 4.42Å; F201-F279 HydrophobicContact CZ-CB 3.68Å; F201-F279 AromaticContact CZ-CD1 3.26Å; F201-F279 HydrophobicContact CZ-CD1 3.26Å; F201-F279 HydrophobicContact CZ-CD2 4.23Å; F201-F279 AromaticContact CZ-CE1 3.9Å; F201-F279 HydrophobicContact CZ-CE1 3.9Å; F201-F279 AromaticContact CZ-CG 3.46Å; F201-F279 HydrophobicContact CZ-CG 3.46Å; F201-F279 VanDerWaalsContact CZ-CG 3.46Å; A239-F279 HydrophobicContact CB-CE2 3.87Å; K240-F279 HydrophobicContact CB-CE2 4.43Å; K240-F279 HydrophobicContact CD-CZ 4.49Å; K240-F279 HydrophobicContact CG-CE1 4.48Å; K240-F279 HydrophobicContact CG-CE2 3.65Å; K240-F279 HydrophobicContact CG-CZ 3.62Å; F243-F279 HydrophobicContact CB-CB 4.34Å; F243-F279 HydrophobicContact CB-CD2 3.97Å; F243-F279 HydrophobicContact CD1-CB 4.34Å; F243-F279 HydrophobicContact CD2-CB 3.59Å; F243-F279 HydrophobicContact CE2-CB 3.91Å; F243-F279 HydrophobicContact CG-CB 3.82Å; F243-F279 HydrophobicContact CG-CD2 4.32Å; F243-F279 HydrophobicContact CG-CG 4.48Å; F243-F279 HydrophobicContact CZ-CB 4.4Å; S275-F279 WeakPolarHBondContact O-CD2 3.38Å; S275-F279 WeakPolarHBondContact O-CG 3.37Å; S275-F279 PolarHBondContact O-N 3.27Å; I276-F279 PolarHBondContact O-N 3.42Å; I277-F279 VanDerWaalsContact C-N 3.29Å; I277-F279 PolarHBondContact O-N 2.98Å; F279-K282 PolarHBondContact O-N 2.89Å; F279-C283 WeakPolarHBondContact O-CB 3.12Å; F279-C283 PolarHBondContact O-N 3.42Å; F279-C283 PolarHBondContact O-SG 2.89Å
280C89.5Confident88.7Confident3 Ų341.7 Ų41.72%0.0221%0.207CC..Hα-helixtrans-62.2-44.8174.8-65.20000111.7I276 I277 C283 N284 K285 W292I276-C280 PolarHBondContact O-N 2.78Å; I276-C280 PolarHBondContact O-SG 3.07Å; I277-C280 WeakPolarHBondContact O-CB 3.5Å; I277-C280 PolarHBondContact O-N 3.27Å; I277-C280 VanDerWaalsContact O-N 3.09Å; C280-C283 CarbonylContact O-C 3.54Å; C280-N284 CarbonylContact O-C 3.57Å; C280-N284 VanDerWaalsContact O-CA 3.25Å; C280-N284 WeakPolarHBondContact O-CA 3.3Å; C280-N284 PolarHBondContact O-N 3.21Å; C280-K285 VanDerWaalsContact CB-O 3.26Å; C280-K285 WeakPolarHBondContact CB-O 3.47Å; C280-K285 PolarHBondContact O-N 3.32Å; C280-W292 HydrophobicContact CB-CH2 4.18Å; C280-W292 HydrophobicContact CB-CZ3 3.64Å
281L85.1Confident88.7Confident17 Ų1741.1 Ų41.19%0.08920%0.204CC..Hα-helixtrans-66.3-46.7177.2-63.9174.6000111.6I277 N278 C283 N284 V322 H325 A328 L330I277-L281 HydrophobicContact CG2-CD1 3.88Å; I277-L281 HydrophobicContact CG2-CG 4.21Å; I277-L281 WeakPolarHBondContact O-CG 3.46Å; I277-L281 PolarHBondContact O-N 3.4Å; N278-L281 PolarHBondContact O-N 3.3Å; L281-C283 VanDerWaalsContact C-N 3.34Å; L281-C283 PolarHBondContact O-N 3.03Å; L281-N284 PolarHBondContact O-N 3.16Å; L281-V322 HydrophobicContact CD1-CG1 3.79Å; L281-H325 HydrophobicContact CB-CB 3.91Å; L281-H325 HydrophobicContact CD1-CB 4.3Å; L281-A328 HydrophobicContact CB-CB 4.31Å; L281-A328 HydrophobicContact CD2-CB 3.73Å; L281-L330 HydrophobicContact CD2-CD1 4.26Å
282K83.2Confident88.6Confident105 Ų10541 Ų4146%0.45720%0.201SC..Hα-helixtrans-60.1-44.7178.7-174.1-173.3177-132.80111.7E205 N278 F279 N284E205-K282 WeakPolarHBondContact OE1-CE 3.05Å; E205-K282 IonicContact OE1-NZ 3.94Å; E205-K282 PolarHBondContact OE1-NZ 3.2Å; N278-K282 WeakPolarHBondContact O-CB 3.39Å; N278-K282 PolarHBondContact O-N 2.91Å; F279-K282 PolarHBondContact O-N 2.89Å; K282-N284 VanDerWaalsContact C-N 3.32Å
283C78.4Confident88.4Confident3 Ų343.8 Ų43.82%0.0221%0.213CC..THydrogen-bonded Turntrans-91.87.4-177.1-570000112.5E205 Q208 F243 F279 C280 L281 K285E205-C283 HydrophobicContact CG-CB 4.17Å; E205-C283 VanDerWaalsContact CG-SG 3.52Å; Q208-C283 PolarHBondContact OE1-O 3.01Å; F243-C283 HydrophobicContact CZ-CB 3.85Å; F279-C283 WeakPolarHBondContact O-CB 3.12Å; F279-C283 PolarHBondContact O-N 3.42Å; F279-C283 PolarHBondContact O-SG 2.89Å; C280-C283 CarbonylContact O-C 3.54Å; L281-C283 VanDerWaalsContact C-N 3.34Å; L281-C283 PolarHBondContact O-N 3.03Å; C283-K285 HydrophobicContact CB-CG 4.48Å; C283-K285 PolarHBondContact O-N 2.95Å
284N78.1Confident88.3Confident116 Ų11644.6 Ų44.662%0.6222%0.216SC*.THydrogen-bonded Turntrans39.943.2-174.4-168.742.7000113.7Q208 C280 L281 K282Q208-N284 PolarHBondContact NE2-ND2 3.49Å; Q208-N284 PolarHBondContact NE2-O 2.87Å; Q208-N284 PolarHBondContact OE1-O 3.45Å; C280-N284 CarbonylContact O-C 3.57Å; C280-N284 VanDerWaalsContact O-CA 3.25Å; C280-N284 WeakPolarHBondContact O-CA 3.3Å; C280-N284 PolarHBondContact O-N 3.21Å; L281-N284 PolarHBondContact O-N 3.16Å; K282-N284 VanDerWaalsContact C-N 3.32Å
285K79.9Confident88.4Confident38 Ų3844.6 Ų44.617%0.16522%0.217CC..  trans-112.2141.1-178.5-84.5-157.7175.6-166.60111A204 F243 T247 C280 C283A204-K285 WeakPolarHBondContact O-CE 3.28Å; F243-K285 HydrophobicContact CZ-CB 4.45Å; F243-K285 HydrophobicContact CZ-CD 4.37Å; T247-K285 HydrophobicContact CG2-CB 4.37Å; T247-K285 HydrophobicContact CG2-CD 3.95Å; C280-K285 VanDerWaalsContact CB-O 3.26Å; C280-K285 WeakPolarHBondContact CB-O 3.47Å; C280-K285 PolarHBondContact O-N 3.32Å; C283-K285 HydrophobicContact CB-CG 4.48Å; C283-K285 PolarHBondContact O-N 2.95Å
286E77.5Confident88.3Confident149 Ų14943.2 Ų43.270%0.69621%0.207SC*.PPolyproline II helixtrans-95.5139.8168.5-64.9-174.717000110.3H331E286-H331 IonicContact OE1-CD2 2.85Å
287L88.8Confident88.2Confident11 Ų1145.6 Ų45.66%0.05822%0.219CC..PPolyproline II helixtrans-75.9167165.3-52.2-178.5000109.1F246 T247 I276 M291 W292 V295F246-L287 HydrophobicContact CB-CD1 4.32Å; F246-L287 HydrophobicContact CB-CD2 3.74Å; F246-L287 HydrophobicContact CD2-CD1 4.34Å; T247-L287 HydrophobicContact CG2-CD2 3.6Å; I276-L287 HydrophobicContact CG2-CD1 3.81Å; L287-M291 HydrophobicContact CB-CB 4.24Å; L287-M291 HydrophobicContact CD1-CB 4.28Å; L287-W292 HydrophobicContact CB-CB 4.07Å; L287-W292 HydrophobicContact CB-CE3 4.36Å; L287-W292 HydrophobicContact CD1-CE3 4.12Å; L287-W292 HydrophobicContact CG-CE3 4Å; L287-V295 HydrophobicContact CD1-CG2 4.3Å
288C89.9Confident88.3Confident40 Ų4047.4 Ų47.427%0.2723%0.228SC..PPolyproline II helixtrans-58.6148.4166.269.40000110.1N256 E290 M291 W292N256-C288 PolarHBondContact ND2-SG 3.38Å; N256-C288 VanDerWaalsContact ND2-SG 3.45Å; C288-E290 PolarHBondContact O-N 3.22Å; C288-E290 VanDerWaalsContact O-N 3.09Å; C288-M291 PolarHBondContact O-N 3.04Å; C288-M291 VanDerWaalsContact SG-CG 3.56Å; C288-W292 PolarHBondContact O-N 2.96Å
289H89.7Confident88.5Confident143 Ų14346 Ų4666%0.66222%0.22SC*.Hα-helixtrans-50-42.9-171.2179.473.5000113.6K293H289-K293 VanDerWaalsContact O-CB 3.24Å; H289-K293 WeakPolarHBondContact O-CB 3.49Å; H289-K293 PolarHBondContact O-N 2.81Å
290E92.1Very high88.6Confident98 Ų9845.4 Ų45.446%0.45822%0.219SC..Hα-helixtrans-59.4-50.7178.1-176.1-175.3-174.500112.5N256 C288 F294N256-E290 VanDerWaalsContact CB-OE2 3.24Å; N256-E290 WeakPolarHBondContact CB-OE2 3.2Å; N256-E290 PolarHBondContact ND2-OE2 3.37Å; C288-E290 PolarHBondContact O-N 3.22Å; C288-E290 VanDerWaalsContact O-N 3.09Å; E290-F294 PolarHBondContact O-N 3.32Å
291M93.9Very high88.7Confident0 Ų051.6 Ų51.60%025%0.246CC..Hα-helixtrans-73.4-36.2-178-67.2-53.5-49.700112F246 N256 V260 L287 C288 F294 V295F246-M291 HydrophobicContact CD1-CE 4.01Å; F246-M291 HydrophobicContact CD1-CG 4.32Å; F246-M291 HydrophobicContact CD2-CE 3.9Å; F246-M291 HydrophobicContact CE1-CE 3.57Å; F246-M291 HydrophobicContact CE1-SD 4.36Å; F246-M291 HydrophobicContact CE2-CE 3.43Å; F246-M291 VanDerWaalsContact CE2-CE 3.43Å; F246-M291 HydrophobicContact CG-CE 4.17Å; F246-M291 HydrophobicContact CG-CG 4.42Å; F246-M291 HydrophobicContact CZ-CE 3.25Å; N256-M291 HydrophobicContact CB-CG 4.32Å; N256-M291 HydrophobicContact CB-SD 3.84Å; V260-M291 HydrophobicContact CG2-CE 4.37Å; V260-M291 HydrophobicContact CG2-SD 3.96Å; L287-M291 HydrophobicContact CB-CB 4.24Å; L287-M291 HydrophobicContact CD1-CB 4.28Å; C288-M291 PolarHBondContact O-N 3.04Å; C288-M291 VanDerWaalsContact SG-CG 3.56Å; M291-F294 HydrophobicContact CE-CD1 3.95Å; M291-F294 PolarHBondContact O-N 3.04Å; M291-V295 WeakPolarHBondContact O-CB 3.4Å; M291-V295 VanDerWaalsContact O-CG2 3.29Å; M291-V295 WeakPolarHBondContact O-CG2 3.34Å; M291-V295 PolarHBondContact O-N 3.49Å
292W92.3Very high89.2Confident38 Ų3851.5 Ų51.514%0.14425%0.247CC..Hα-helixtrans-60.3-48.1174.1-174.6-110.6000111.1C280 L287 C288 V295 T296 L330 H331C280-W292 HydrophobicContact CB-CH2 4.18Å; C280-W292 HydrophobicContact CB-CZ3 3.64Å; L287-W292 HydrophobicContact CB-CB 4.07Å; L287-W292 HydrophobicContact CB-CE3 4.36Å; L287-W292 HydrophobicContact CD1-CE3 4.12Å; L287-W292 HydrophobicContact CG-CE3 4Å; C288-W292 PolarHBondContact O-N 2.96Å; W292-V295 PolarHBondContact O-N 3.37Å; W292-T296 HydrophobicContact CD2-CG2 3.97Å; W292-T296 HydrophobicContact CE3-CG2 4.39Å; W292-T296 HydrophobicContact CG-CG2 4.5Å; W292-T296 HydrophobicContact CH2-CG2 4.15Å; W292-T296 HydrophobicContact CZ2-CG2 3.67Å; W292-T296 HydrophobicContact CZ3-CG2 4.47Å; W292-T296 WeakPolarHBondContact O-CB 3.31Å; W292-T296 WeakPolarHBondContact O-CG2 3.35Å; W292-T296 PolarHBondContact O-N 3.17Å; W292-T296 PolarHBondContact O-OG1 3.02Å; W292-L330 HydrophobicContact CH2-CD1 3.68Å; W292-L330 HydrophobicContact CZ2-CD1 3.69Å; W292-L330 HydrophobicContact CZ2-CG 4.49Å; W292-H331 PolarHBondContact NE1-O 2.96Å
293K90.9Very high89.7Confident68 Ų6846.5 Ų46.530%0.29623%0.225SC..Hα-helixtrans-59.6-50.2177.4-177.1165.1-171.7147.80111.4H289 V295 T296 D297 E333H289-K293 VanDerWaalsContact O-CB 3.24Å; H289-K293 WeakPolarHBondContact O-CB 3.49Å; H289-K293 PolarHBondContact O-N 2.81Å; K293-V295 PolarHBondContact O-N 3.18Å; K293-T296 PolarHBondContact O-N 3.48Å; K293-T296 PolarHBondContact O-OG1 2.82Å; K293-D297 WeakPolarHBondContact CE-OD2 3.44Å; K293-D297 VanDerWaalsContact CG-OD2 3.23Å; K293-D297 WeakPolarHBondContact CG-OD2 3.5Å; K293-D297 WeakPolarHBondContact O-CB 3.17Å; K293-D297 PolarHBondContact O-N 3.2Å; K293-E333 IonicContact NZ-OE1 2.76Å; K293-E333 PolarHBondContact NZ-OE1 2.76Å; K293-E333 IonicContact NZ-OE2 3.41Å; K293-E333 PolarHBondContact NZ-OE2 3.3Å
294F93.9Very high90.3Very high17 Ų1751 Ų518%0.07524%0.242CC..Hα-helixtrans-55-50.2176.8169.8-110.3000112.6V260 L263 L269 E290 M291 E298V260-F294 HydrophobicContact CG1-CD2 3.85Å; V260-F294 HydrophobicContact CG1-CE2 3.92Å; V260-F294 HydrophobicContact CG1-CG 4.4Å; V260-F294 HydrophobicContact CG2-CB 4.22Å; V260-F294 HydrophobicContact CG2-CD1 4.11Å; V260-F294 HydrophobicContact CG2-CD2 4.19Å; V260-F294 HydrophobicContact CG2-CG 3.9Å; L263-F294 HydrophobicContact CB-CE1 4.16Å; L263-F294 HydrophobicContact CB-CZ 4.03Å; L263-F294 HydrophobicContact CD1-CE1 4.12Å; L269-F294 HydrophobicContact CD1-CE1 4.38Å; L269-F294 HydrophobicContact CD1-CZ 4.09Å; L269-F294 HydrophobicContact CD2-CZ 4.23Å; E290-F294 PolarHBondContact O-N 3.32Å; M291-F294 HydrophobicContact CE-CD1 3.95Å; M291-F294 PolarHBondContact O-N 3.04Å; F294-E298 HydrophobicContact CD2-CG 3.86Å; F294-E298 HydrophobicContact CE2-CG 3.59Å; F294-E298 HydrophobicContact CZ-CG 4.23Å; F294-E298 WeakPolarHBondContact O-CB 3.22Å; F294-E298 WeakPolarHBondContact O-CG 3.18Å; F294-E298 PolarHBondContact O-N 3.15Å; F294-E298 VanDerWaalsContact O-N 3.11Å
295V93.9Very high91Very high1 Ų150.3 Ų50.31%0.00623%0.234CC..Hα-helixtrans-65.1-43.8-176.51670000111.6C273 I276 I277 L287 M291 W292 K293 W299C273-V295 HydrophobicContact CB-CG1 3.97Å; I276-V295 HydrophobicContact CB-CG1 4.26Å; I276-V295 HydrophobicContact CD1-CG2 4.34Å; I276-V295 HydrophobicContact CG2-CG1 4.18Å; I276-V295 HydrophobicContact CG2-CG2 4.31Å; I277-V295 HydrophobicContact CD1-CG1 4.03Å; I277-V295 HydrophobicContact CG1-CG1 3.61Å; L287-V295 HydrophobicContact CD1-CG2 4.3Å; M291-V295 WeakPolarHBondContact O-CB 3.4Å; M291-V295 VanDerWaalsContact O-CG2 3.29Å; M291-V295 WeakPolarHBondContact O-CG2 3.34Å; M291-V295 PolarHBondContact O-N 3.49Å; W292-V295 PolarHBondContact O-N 3.37Å; K293-V295 PolarHBondContact O-N 3.18Å; V295-W299 VanDerWaalsContact O-CB 3.29Å; V295-W299 WeakPolarHBondContact O-CB 3.16Å; V295-W299 PolarHBondContact O-N 3.15Å
296T91.3Very high91.6Very high4 Ų450 Ų503%0.02523%0.232CC..Hα-helixtrans-73.2-40.1-178.951.50000112.3I277 W292 K293 S300 M332I277-T296 HydrophobicContact CD1-CG2 4.36Å; I277-T296 HydrophobicContact CG1-CG2 4.48Å; W292-T296 HydrophobicContact CD2-CG2 3.97Å; W292-T296 HydrophobicContact CE3-CG2 4.39Å; W292-T296 HydrophobicContact CG-CG2 4.5Å; W292-T296 HydrophobicContact CH2-CG2 4.15Å; W292-T296 HydrophobicContact CZ2-CG2 3.67Å; W292-T296 HydrophobicContact CZ3-CG2 4.47Å; W292-T296 WeakPolarHBondContact O-CB 3.31Å; W292-T296 WeakPolarHBondContact O-CG2 3.35Å; W292-T296 PolarHBondContact O-N 3.17Å; W292-T296 PolarHBondContact O-OG1 3.02Å; K293-T296 PolarHBondContact O-N 3.48Å; K293-T296 PolarHBondContact O-OG1 2.82Å; T296-S300 WeakPolarHBondContact O-CB 3.49Å; T296-S300 PolarHBondContact O-N 3.07Å; T296-S300 PolarHBondContact O-OG 3.23Å; T296-M332 HydrophobicContact CG2-CG 4.46Å
297D91.9Very high92.2Very high52 Ų5243 Ų4328%0.27820%0.199SC..Hα-helixtrans-62.5-51.1178-74.5-11.6000111K293 W299 S300 F301K293-D297 WeakPolarHBondContact CE-OD2 3.44Å; K293-D297 VanDerWaalsContact CG-OD2 3.23Å; K293-D297 WeakPolarHBondContact CG-OD2 3.5Å; K293-D297 WeakPolarHBondContact O-CB 3.17Å; K293-D297 PolarHBondContact O-N 3.2Å; D297-W299 PolarHBondContact O-N 3.23Å; D297-S300 PolarHBondContact O-N 3.36Å; D297-S300 PolarHBondContact O-OG 3.46Å; D297-F301 VanDerWaalsContact O-CB 3.29Å; D297-F301 WeakPolarHBondContact O-CB 3.29Å; D297-F301 PolarHBondContact O-N 3Å
298E94Very high92.1Very high39 Ų3948.2 Ų48.218%0.18222%0.223CC..Hα-helixtrans-64.9-39.1-179-67.5-66.9163.900112.2K264 L269 F294 S302K264-E298 WeakPolarHBondContact CE-OE1 3.44Å; K264-E298 IonicContact NZ-OE1 3.69Å; L269-E298 HydrophobicContact CD2-CB 4.29Å; L269-E298 HydrophobicContact CD2-CG 4.14Å; F294-E298 HydrophobicContact CD2-CG 3.86Å; F294-E298 HydrophobicContact CE2-CG 3.59Å; F294-E298 HydrophobicContact CZ-CG 4.23Å; F294-E298 WeakPolarHBondContact O-CB 3.22Å; F294-E298 WeakPolarHBondContact O-CG 3.18Å; F294-E298 PolarHBondContact O-N 3.15Å; F294-E298 VanDerWaalsContact O-N 3.11Å; E298-S302 WeakPolarHBondContact O-CB 3.27Å; E298-S302 PolarHBondContact O-N 3.33Å; E298-S302 VanDerWaalsContact O-N 3.08Å; E298-S302 PolarHBondContact O-OG 2.96Å
299W94.1Very high92Very high0 Ų050.3 Ų50.30%023%0.231CC..Hα-helixtrans-64-47.1173.6173.579.5000111.6C273 I277 V295 D297 F301 S302 L303 I318 V322 L330 M332 L338 L368C273-W299 HydrophobicContact CB-CB 3.89Å; I277-W299 HydrophobicContact CD1-CB 3.77Å; I277-W299 HydrophobicContact CD1-CD2 3.74Å; I277-W299 HydrophobicContact CD1-CE3 3.98Å; I277-W299 HydrophobicContact CD1-CG 3.64Å; V295-W299 VanDerWaalsContact O-CB 3.29Å; V295-W299 WeakPolarHBondContact O-CB 3.16Å; V295-W299 PolarHBondContact O-N 3.15Å; D297-W299 PolarHBondContact O-N 3.23Å; W299-F301 PolarHBondContact O-N 3.24Å; W299-S302 PolarHBondContact O-N 3.29Å; W299-L303 HydrophobicContact CH2-CD2 3.85Å; W299-L303 HydrophobicContact CZ2-CD2 3.74Å; W299-L303 WeakPolarHBondContact O-CB 3.38Å; W299-L303 PolarHBondContact O-N 2.98Å; W299-I318 PolarHBondContact NE1-O 2.73Å; W299-V322 HydrophobicContact CZ2-CG1 4.42Å; W299-V322 HydrophobicContact CZ2-CG2 4.27Å; W299-L330 HydrophobicContact CE3-CD2 4.34Å; W299-L330 HydrophobicContact CH2-CD2 3.98Å; W299-L330 HydrophobicContact CZ3-CD2 3.6Å; W299-M332 HydrophobicContact CE3-CE 3.98Å; W299-M332 HydrophobicContact CE3-SD 4.36Å; W299-M332 HydrophobicContact CZ3-CE 3.77Å; W299-M332 HydrophobicContact CZ3-SD 3.73Å; W299-L338 HydrophobicContact CH2-CD2 4.21Å; W299-L338 HydrophobicContact CZ3-CD2 3.88Å; W299-L368 HydrophobicContact CH2-CD1 3.92Å; W299-L368 HydrophobicContact CH2-CD2 3.96Å; W299-L368 HydrophobicContact CH2-CG 4.46Å; W299-L368 HydrophobicContact CZ2-CD1 4.21Å; W299-L368 HydrophobicContact CZ2-CD2 4.02Å
300S91.3Very high91.6Very high11 Ų1149.4 Ų49.48%0.07723%0.231CC..Hα-helixtrans-63.8-42.6-178.677.40000112.4T296 D297 L303 Y304T296-S300 WeakPolarHBondContact O-CB 3.49Å; T296-S300 PolarHBondContact O-N 3.07Å; T296-S300 PolarHBondContact O-OG 3.23Å; D297-S300 PolarHBondContact O-N 3.36Å; D297-S300 PolarHBondContact O-OG 3.46Å; S300-L303 PolarHBondContact O-N 2.85Å; S300-Y304 WeakPolarHBondContact O-CB 3.36Å; S300-Y304 PolarHBondContact O-N 3.28Å
301F93.2Very high91.4Very high133 Ų13347.6 Ų47.658%0.58322%0.223SC*.Hα-helixtrans-63.4-45.4177.8176-100.2000110.8D297 W299 Y304 K305D297-F301 VanDerWaalsContact O-CB 3.29Å; D297-F301 WeakPolarHBondContact O-CB 3.29Å; D297-F301 PolarHBondContact O-N 3Å; W299-F301 PolarHBondContact O-N 3.24Å; F301-Y304 PolarHBondContact O-N 2.64Å; F301-K305 WeakPolarHBondContact O-CB 3.35Å; F301-K305 PolarHBondContact O-N 2.89Å
302S94.6Very high90.8Very high15 Ų1550.4 Ų50.411%0.10524%0.24CC..Hα-helixtrans-63.3-44.2177.6-59.40000111.6P270 E298 W299 K305 Y306P270-S302 WeakPolarHBondContact CG-OG 3.27Å; E298-S302 WeakPolarHBondContact O-CB 3.27Å; E298-S302 PolarHBondContact O-N 3.33Å; E298-S302 VanDerWaalsContact O-N 3.08Å; E298-S302 PolarHBondContact O-OG 2.96Å; W299-S302 PolarHBondContact O-N 3.29Å; S302-K305 PolarHBondContact O-N 2.79Å; S302-Y306 WeakPolarHBondContact O-CB 3.12Å; S302-Y306 VanDerWaalsContact O-CD2 3.22Å; S302-Y306 WeakPolarHBondContact O-CD2 3.19Å; S302-Y306 PolarHBondContact O-N 2.89Å
303L93.3Very high90.5Very high0 Ų054 Ų540%026%0.262CS..Hα-helixtrans-62-45.3176.7-17956.8000111.9W299 S300 K305 Y306 L307 V315 I318 T319 L338 I342 L368W299-L303 HydrophobicContact CH2-CD2 3.85Å; W299-L303 HydrophobicContact CZ2-CD2 3.74Å; W299-L303 WeakPolarHBondContact O-CB 3.38Å; W299-L303 PolarHBondContact O-N 2.98Å; S300-L303 PolarHBondContact O-N 2.85Å; L303-K305 VanDerWaalsContact C-N 3.33Å; L303-K305 PolarHBondContact O-N 2.99Å; L303-Y306 PolarHBondContact O-N 3Å; L303-L307 HydrophobicContact CD1-CD1 4.13Å; L303-L307 HydrophobicContact CD1-CG 4.17Å; L303-L307 HydrophobicContact CG-CD1 4.04Å; L303-L307 WeakPolarHBondContact O-CB 3.19Å; L303-L307 VanDerWaalsContact O-CG 3.24Å; L303-L307 WeakPolarHBondContact O-CG 3.29Å; L303-L307 PolarHBondContact O-N 3.39Å; L303-V315 HydrophobicContact CD1-CB 4.34Å; L303-V315 HydrophobicContact CD1-CG1 3.61Å; L303-V315 HydrophobicContact CD1-CG2 4.29Å; L303-I318 HydrophobicContact CB-CD1 3.72Å; L303-I318 HydrophobicContact CD1-CD1 4.08Å; L303-I318 HydrophobicContact CD1-CG1 4.33Å; L303-I318 HydrophobicContact CG-CD1 4.47Å; L303-T319 HydrophobicContact CD1-CG2 3.7Å; L303-T319 HydrophobicContact CD2-CG2 4.15Å; L303-L338 HydrophobicContact CB-CD1 4.37Å; L303-L338 HydrophobicContact CD2-CD1 3.86Å; L303-L338 HydrophobicContact CD2-CD2 4.07Å; L303-L338 HydrophobicContact CD2-CG 4.41Å; L303-L338 HydrophobicContact CG-CD1 3.95Å; L303-I342 HydrophobicContact CD2-CD1 4.47Å; L303-L368 HydrophobicContact CD2-CD2 3.62Å
304Y91.6Very high90.5Very high98 Ų9852.4 Ų52.438%0.38426%0.257SS..Hα-helixtrans-57.9-47.8176.3-170.3-80.3000111.4S300 F301 L307 E308 K341S300-Y304 WeakPolarHBondContact O-CB 3.36Å; S300-Y304 PolarHBondContact O-N 3.28Å; F301-Y304 PolarHBondContact O-N 2.64Å; Y304-L307 PolarHBondContact O-N 3.48Å; Y304-E308 PolarHBondContact O-N 3.37Å; Y304-K341 HydrophobicContact CD2-CB 4.05Å; Y304-K341 HydrophobicContact CD2-CG 3.96Å; Y304-K341 HydrophobicContact CE2-CB 3.82Å; Y304-K341 HydrophobicContact CE2-CD 4.05Å; Y304-K341 HydrophobicContact CE2-CG 3.8Å
305K92.4Very high90.2Very high102 Ų10251.6 Ų51.644%0.44325%0.254SS..Hα-helixtrans-62-45.1178.4-177.3-176.5174.7-172.40112.3F301 S302 L303 L307 E308 N309F301-K305 WeakPolarHBondContact O-CB 3.35Å; F301-K305 PolarHBondContact O-N 2.89Å; S302-K305 PolarHBondContact O-N 2.79Å; L303-K305 VanDerWaalsContact C-N 3.33Å; L303-K305 PolarHBondContact O-N 2.99Å; K305-L307 VanDerWaalsContact C-N 3.33Å; K305-L307 PolarHBondContact O-N 3.37Å; K305-E308 PolarHBondContact O-N 2.99Å; K305-E308 VanDerWaalsContact O-N 3.14Å; K305-N309 PolarHBondContact O-N 3.44Å
306Y92.9Very high89.9Confident32 Ų3254.3 Ų54.313%0.12527%0.265CS..Hα-helixtrans-65.9-35.5178.7-62.4-29.8000112.3P270 S302 L303 E308 N309 D310 E311 N314 I318P270-Y306 HydrophobicContact CB-CE2 4.48Å; S302-Y306 WeakPolarHBondContact O-CB 3.12Å; S302-Y306 VanDerWaalsContact O-CD2 3.22Å; S302-Y306 WeakPolarHBondContact O-CD2 3.19Å; S302-Y306 PolarHBondContact O-N 2.89Å; L303-Y306 PolarHBondContact O-N 3Å; Y306-E308 VanDerWaalsContact C-N 3.32Å; Y306-N309 PolarHBondContact O-N 2.81Å; Y306-D310 PolarHBondContact O-N 3.45Å; Y306-E311 HydrophobicContact CD1-CB 4.36Å; Y306-E311 WeakPolarHBondContact CD1-OE2 3.38Å; Y306-E311 WeakPolarHBondContact CE1-OE2 3.36Å; Y306-E311 PolarHBondContact O-N 2.98Å; Y306-N314 HydrophobicContact CD1-CB 4Å; Y306-N314 HydrophobicContact CD2-CB 3.66Å; Y306-N314 HydrophobicContact CE1-CB 4.11Å; Y306-N314 HydrophobicContact CE2-CB 3.79Å; Y306-N314 HydrophobicContact CG-CB 3.79Å; Y306-I318 HydrophobicContact CD2-CD1 3.64Å; Y306-I318 HydrophobicContact CD2-CG1 4.37Å; Y306-I318 HydrophobicContact CE2-CD1 3.87Å; Y306-I318 HydrophobicContact CE2-CG2 4.35Å
307L89.6Confident89.8Confident2 Ų259.5 Ų59.51%0.0129%0.285CS..Hα-helixtrans-68.1-29.1171.9-71.3169.5000112.8L303 Y304 K305 V315 L338 K341 I342 V345 Y361 L365L303-L307 HydrophobicContact CD1-CD1 4.13Å; L303-L307 HydrophobicContact CD1-CG 4.17Å; L303-L307 HydrophobicContact CG-CD1 4.04Å; L303-L307 WeakPolarHBondContact O-CB 3.19Å; L303-L307 VanDerWaalsContact O-CG 3.24Å; L303-L307 WeakPolarHBondContact O-CG 3.29Å; L303-L307 PolarHBondContact O-N 3.39Å; Y304-L307 PolarHBondContact O-N 3.48Å; K305-L307 VanDerWaalsContact C-N 3.33Å; K305-L307 PolarHBondContact O-N 3.37Å; L307-V315 HydrophobicContact CD2-CG1 4.23Å; L307-V315 HydrophobicContact CD2-CG2 4.05Å; L307-V315 HydrophobicContact CG-CG2 4.19Å; L307-L338 HydrophobicContact CD1-CD1 4.44Å; L307-K341 HydrophobicContact CB-CG 4.29Å; L307-K341 HydrophobicContact CD1-CG 4.16Å; L307-I342 HydrophobicContact CD1-CG1 3.7Å; L307-V345 HydrophobicContact CD2-CG1 4.5Å; L307-V345 HydrophobicContact CD2-CG2 4.36Å; L307-Y361 VanDerWaalsContact CD2-OH 3.31Å; L307-Y361 WeakPolarHBondContact CD2-OH 2.92Å; L307-L365 HydrophobicContact CD2-CD1 3.95Å; L307-L365 HydrophobicContact CD2-CD2 4.2Å
308E87.7Confident89.8Confident119 Ų11957.1 Ų57.156%0.55627%0.272SS*.Hα-helixtrans-75.9-32.9176.5-171.7172-166.100112.6Y304 K305 Y306Y304-E308 PolarHBondContact O-N 3.37Å; K305-E308 PolarHBondContact O-N 2.99Å; K305-E308 VanDerWaalsContact O-N 3.14Å; Y306-E308 VanDerWaalsContact C-N 3.32Å
309N87.8Confident89.5Confident84 Ų8455.3 Ų55.345%0.44926%0.263SS..THydrogen-bonded Turntrans-92.24.7-178.9-67.5-15.6000114.2K305 Y306 E311K305-N309 PolarHBondContact O-N 3.44Å; Y306-N309 PolarHBondContact O-N 2.81Å; N309-E311 HydrophobicContact CB-CG 3.73Å; N309-E311 VanDerWaalsContact CB-OE1 3.32Å; N309-E311 WeakPolarHBondContact CB-OE1 3.1Å; N309-E311 PolarHBondContact ND2-OE1 2.64Å; N309-E311 PolarHBondContact O-N 3.3Å
310D81.2Confident89.2Confident124 Ų12457.6 Ų57.666%0.66328%0.276SS*.THydrogen-bonded Turntrans5335.5-172.8-64.7-38.2000113.6Y306 T312Y306-D310 PolarHBondContact O-N 3.45Å; D310-T312 VanDerWaalsContact C-N 3.29Å; D310-T312 PolarHBondContact O-N 3.4Å
311E86.8Confident88.9Confident60 Ų6058.3 Ų58.328%0.2828%0.28SS..  trans-8466.5-179.4-67.6176.1-148.100111.6Y306 N309 D313 N314 V315Y306-E311 HydrophobicContact CD1-CB 4.36Å; Y306-E311 WeakPolarHBondContact CD1-OE2 3.38Å; Y306-E311 WeakPolarHBondContact CE1-OE2 3.36Å; Y306-E311 PolarHBondContact O-N 2.98Å; N309-E311 HydrophobicContact CB-CG 3.73Å; N309-E311 VanDerWaalsContact CB-OE1 3.32Å; N309-E311 WeakPolarHBondContact CB-OE1 3.1Å; N309-E311 PolarHBondContact ND2-OE1 2.64Å; N309-E311 PolarHBondContact O-N 3.3Å; E311-D313 VanDerWaalsContact C-N 3.32Å; E311-D313 PolarHBondContact O-N 3.49Å; E311-N314 HydrophobicContact CB-CB 4.12Å; E311-N314 PolarHBondContact O-N 2.86Å; E311-N314 PolarHBondContact OE2-ND2 3.08Å; E311-V315 PolarHBondContact O-N 3.41Å
312T82.9Confident88.5Confident59 Ų5952 Ų5236%0.36225%0.252SS..Hα-helixtrans-46.7-47.8-173.27.40000114D310 N314 V315 F316 Y361D310-T312 VanDerWaalsContact C-N 3.29Å; D310-T312 PolarHBondContact O-N 3.4Å; T312-N314 PolarHBondContact O-N 3.18Å; T312-V315 PolarHBondContact O-N 3.2Å; T312-F316 VanDerWaalsContact O-CB 3.3Å; T312-F316 WeakPolarHBondContact O-CB 2.97Å; T312-F316 PolarHBondContact O-N 3.3Å; T312-Y361 HydrophobicContact CG2-CD1 3.5Å; T312-Y361 HydrophobicContact CG2-CD2 3.73Å; T312-Y361 HydrophobicContact CG2-CE1 3.6Å; T312-Y361 HydrophobicContact CG2-CE2 3.8Å; T312-Y361 HydrophobicContact CG2-CG 3.57Å
313D85.7Confident87.7Confident113 Ų11353.6 Ų53.660%0.60426%0.256SS*.Hα-helixtrans-64.1-38.8-179.4-73.9-22.1000113E311 F316 R317E311-D313 VanDerWaalsContact C-N 3.32Å; E311-D313 PolarHBondContact O-N 3.49Å; D313-F316 PolarHBondContact O-N 3.47Å; D313-R317 WeakPolarHBondContact O-CB 3.24Å; D313-R317 PolarHBondContact O-N 2.92Å
314N89.8Confident86.7Confident36 Ų3658.9 Ų58.919%0.19328%0.284CS..Hα-helixtrans-71.5-42.7180-72.3-23.9000110.3Y306 E311 T312 F316 R317 I318Y306-N314 HydrophobicContact CD1-CB 4Å; Y306-N314 HydrophobicContact CD2-CB 3.66Å; Y306-N314 HydrophobicContact CE1-CB 4.11Å; Y306-N314 HydrophobicContact CE2-CB 3.79Å; Y306-N314 HydrophobicContact CG-CB 3.79Å; E311-N314 HydrophobicContact CB-CB 4.12Å; E311-N314 PolarHBondContact O-N 2.86Å; E311-N314 PolarHBondContact OE2-ND2 3.08Å; T312-N314 PolarHBondContact O-N 3.18Å; N314-F316 VanDerWaalsContact C-N 3.32Å; N314-F316 PolarHBondContact O-N 2.89Å; N314-R317 PolarHBondContact O-N 3.22Å; N314-R317 VanDerWaalsContact OD1-CZ 3.3Å; N314-R317 PolarHBondContact OD1-NH1 3.02Å; N314-R317 PolarHBondContact OD1-NH2 2.79Å; N314-I318 WeakPolarHBondContact O-CG1 3.32Å; N314-I318 PolarHBondContact O-N 3.48Å; N314-I318 VanDerWaalsContact O-N 3.15Å
315V89.2Confident85.8Confident0 Ų056.3 Ų56.30%028%0.275CS..Hα-helixtrans-57-49.1171.4176.80000110.2L303 L307 E311 T312 R317 I318 T319 Y361 L365L303-V315 HydrophobicContact CD1-CB 4.34Å; L303-V315 HydrophobicContact CD1-CG1 3.61Å; L303-V315 HydrophobicContact CD1-CG2 4.29Å; L307-V315 HydrophobicContact CD2-CG1 4.23Å; L307-V315 HydrophobicContact CD2-CG2 4.05Å; L307-V315 HydrophobicContact CG-CG2 4.19Å; E311-V315 PolarHBondContact O-N 3.41Å; T312-V315 PolarHBondContact O-N 3.2Å; V315-R317 VanDerWaalsContact C-N 3.25Å; V315-R317 PolarHBondContact O-N 3.37Å; V315-I318 PolarHBondContact O-N 2.97Å; V315-T319 HydrophobicContact CG1-CG2 3.87Å; V315-T319 WeakPolarHBondContact O-CB 3.41Å; V315-T319 VanDerWaalsContact O-CG2 3.22Å; V315-T319 WeakPolarHBondContact O-CG2 3.36Å; V315-T319 PolarHBondContact O-N 2.81Å; V315-T319 PolarHBondContact O-OG1 3Å; V315-Y361 HydrophobicContact CB-CD2 4.47Å; V315-Y361 HydrophobicContact CB-CE2 3.69Å; V315-Y361 HydrophobicContact CG1-CD2 4.27Å; V315-Y361 HydrophobicContact CG1-CE2 3.5Å; V315-Y361 VanDerWaalsContact CG1-CE2 3.5Å; V315-Y361 HydrophobicContact CG2-CE2 4.22Å; V315-L365 HydrophobicContact CG1-CD2 3.87Å
316F86.5Confident84.2Confident57 Ų5752.9 Ų52.925%0.2526%0.263CS..Hα-helixtrans-59-39.1-179.4-164-99.2000111.9T312 D313 N314 T319 N320 K360 R364T312-F316 VanDerWaalsContact O-CB 3.3Å; T312-F316 WeakPolarHBondContact O-CB 2.97Å; T312-F316 PolarHBondContact O-N 3.3Å; D313-F316 PolarHBondContact O-N 3.47Å; N314-F316 VanDerWaalsContact C-N 3.32Å; N314-F316 PolarHBondContact O-N 2.89Å; F316-T319 PolarHBondContact O-OG1 2.98Å; F316-N320 VanDerWaalsContact CD1-ND2 3.31Å; F316-N320 WeakPolarHBondContact CD1-ND2 3.26Å; F316-N320 WeakPolarHBondContact CE1-ND2 3.42Å; F316-N320 WeakPolarHBondContact O-CB 3.5Å; F316-N320 PolarHBondContact O-N 3.15Å; F316-N320 PolarHBondContact O-ND2 3.21Å; F316-K360 HydrophobicContact CE2-CB 4.11Å; F316-R364 VanDerWaalsContact CE1-CZ 3.42Å; F316-R364 VanDerWaalsContact CZ-NH2 3.29Å
317R89.2Confident82.6Confident114 Ų11458 Ų5843%0.4329%0.293SS..Hα-helixtrans-67.1-41.1-179.3-159.6-174.6-51.3145.712113E271 D313 N314 V315 P321E271-R317 HydrophobicContact CG-CG 3.99Å; E271-R317 VanDerWaalsContact OE1-CD 3.24Å; E271-R317 WeakPolarHBondContact OE1-CD 3.07Å; E271-R317 IonicContact OE1-CZ 2.71Å; E271-R317 IonicContact OE1-NE 2.78Å; E271-R317 IonicContact OE1-NH1 3.32Å; E271-R317 PolarHBondContact OE1-NH1 2.88Å; D313-R317 WeakPolarHBondContact O-CB 3.24Å; D313-R317 PolarHBondContact O-N 2.92Å; N314-R317 PolarHBondContact O-N 3.22Å; N314-R317 VanDerWaalsContact OD1-CZ 3.3Å; N314-R317 PolarHBondContact OD1-NH1 3.02Å; N314-R317 PolarHBondContact OD1-NH2 2.79Å; V315-R317 VanDerWaalsContact C-N 3.25Å; V315-R317 PolarHBondContact O-N 3.37Å; R317-P321 VanDerWaalsContact O-CD 3.32Å; R317-P321 WeakPolarHBondContact O-CD 3.41Å
318I91.9Very high81.4Confident1 Ų158.9 Ų58.91%0.00530%0.3CS..Hα-helixtrans-90.1-15.4-177.969.6170.1000113.8P270 E271 A274 W299 L303 Y306 N314 V315P270-I318 HydrophobicContact CB-CG2 3.76Å; E271-I318 HydrophobicContact CG-CG2 4.24Å; A274-I318 HydrophobicContact CB-CB 4.26Å; A274-I318 WeakPolarHBondContact CB-O 3.43Å; W299-I318 PolarHBondContact NE1-O 2.73Å; L303-I318 HydrophobicContact CB-CD1 3.72Å; L303-I318 HydrophobicContact CD1-CD1 4.08Å; L303-I318 HydrophobicContact CD1-CG1 4.33Å; L303-I318 HydrophobicContact CG-CD1 4.47Å; Y306-I318 HydrophobicContact CD2-CD1 3.64Å; Y306-I318 HydrophobicContact CD2-CG1 4.37Å; Y306-I318 HydrophobicContact CE2-CD1 3.87Å; Y306-I318 HydrophobicContact CE2-CG2 4.35Å; N314-I318 WeakPolarHBondContact O-CG1 3.32Å; N314-I318 PolarHBondContact O-N 3.48Å; N314-I318 VanDerWaalsContact O-N 3.15Å; V315-I318 PolarHBondContact O-N 2.97Å
319T88.7Confident80.3Confident1 Ų155.7 Ų55.71%0.00629%0.291CS..Hα-helixtrans-89.8-30.8173.756.30000111.9L303 V315 F316 V322 Y323 L365 L368L303-T319 HydrophobicContact CD1-CG2 3.7Å; L303-T319 HydrophobicContact CD2-CG2 4.15Å; V315-T319 HydrophobicContact CG1-CG2 3.87Å; V315-T319 WeakPolarHBondContact O-CB 3.41Å; V315-T319 VanDerWaalsContact O-CG2 3.22Å; V315-T319 WeakPolarHBondContact O-CG2 3.36Å; V315-T319 PolarHBondContact O-N 2.81Å; V315-T319 PolarHBondContact O-OG1 3Å; F316-T319 PolarHBondContact O-OG1 2.98Å; T319-V322 PolarHBondContact O-N 3.24Å; T319-Y323 WeakPolarHBondContact O-CD1 3.46Å; T319-Y323 PolarHBondContact O-N 3.28Å; T319-Y323 VanDerWaalsContact O-N 3.09Å; T319-L365 HydrophobicContact CG2-CD2 4.47Å; T319-L368 HydrophobicContact CG2-CD2 3.81Å
320N86.8Confident79.4Confident49 Ų4951.7 Ų51.726%0.26227%0.269SS..THydrogen-bonded Turntrans-47.3-46.6-179.9-116.9-35.1000115.1F316 V322 Y323 R364F316-N320 VanDerWaalsContact CD1-ND2 3.31Å; F316-N320 WeakPolarHBondContact CD1-ND2 3.26Å; F316-N320 WeakPolarHBondContact CE1-ND2 3.42Å; F316-N320 WeakPolarHBondContact O-CB 3.5Å; F316-N320 PolarHBondContact O-N 3.15Å; F316-N320 PolarHBondContact O-ND2 3.21Å; N320-V322 VanDerWaalsContact C-N 3.29Å; N320-V322 PolarHBondContact O-N 2.71Å; N320-Y323 HydrophobicContact CB-CE1 4.47Å; N320-Y323 WeakPolarHBondContact O-CD1 3.27Å; N320-Y323 WeakPolarHBondContact O-CE1 3.4Å; N320-Y323 WeakPolarHBondContact OD1-CE1 3.27Å; N320-R364 PolarHBondContact ND2-NH1 3.33Å; N320-R364 PolarHBondContact OD1-NH1 3.42Å; N320-R364 PolarHBondContact OD1-NH2 2.9Å
321P85.1Confident79Confident26 Ų2650.7 Ų50.717%0.16926%0.261CS..THydrogen-bonded Turntrans-70.4-30-178.8-21.936000111.9A274 N278 R317A274-P321 HydrophobicContact CB-CB 4.41Å; A274-P321 HydrophobicContact CB-CG 4.03Å; N278-P321 HydrophobicContact CB-CB 3.68Å; N278-P321 WeakPolarHBondContact CB-O 3.41Å; N278-P321 PolarHBondContact OD1-O 2.63Å; R317-P321 VanDerWaalsContact O-CD 3.32Å; R317-P321 WeakPolarHBondContact O-CD 3.41Å
322V84.6Confident78.4Confident0 Ų048.9 Ų48.90%025%0.252CS..THydrogen-bonded Turntrans-88.7-35.9-167.1-1760000112.1A274 I277 L281 W299 T319 N320 L324 L368 I371A274-V322 HydrophobicContact CB-CG2 4.29Å; I277-V322 HydrophobicContact CB-CG2 4.21Å; I277-V322 HydrophobicContact CG2-CG1 3.89Å; I277-V322 HydrophobicContact CG2-CG2 3.88Å; L281-V322 HydrophobicContact CD1-CG1 3.79Å; W299-V322 HydrophobicContact CZ2-CG1 4.42Å; W299-V322 HydrophobicContact CZ2-CG2 4.27Å; T319-V322 PolarHBondContact O-N 3.24Å; N320-V322 VanDerWaalsContact C-N 3.29Å; N320-V322 PolarHBondContact O-N 2.71Å; V322-L324 VanDerWaalsContact C-N 3.25Å; V322-L324 PolarHBondContact O-N 3.14Å; V322-L324 VanDerWaalsContact O-N 3.13Å; V322-L368 HydrophobicContact CG1-CD1 4.03Å; V322-I371 WeakPolarHBondContact O-CD1 3.49Å
323Y77.8Confident77.7Confident49 Ų4952.9 Ų52.919%0.19227%0.267CS..THydrogen-bonded Turntrans-69.8-12.2-168.283.3-77.7000115.6T319 N320 H325 R364 V367T319-Y323 WeakPolarHBondContact O-CD1 3.46Å; T319-Y323 PolarHBondContact O-N 3.28Å; T319-Y323 VanDerWaalsContact O-N 3.09Å; N320-Y323 HydrophobicContact CB-CE1 4.47Å; N320-Y323 WeakPolarHBondContact O-CD1 3.27Å; N320-Y323 WeakPolarHBondContact O-CE1 3.4Å; N320-Y323 WeakPolarHBondContact OD1-CE1 3.27Å; Y323-H325 VanDerWaalsContact C-N 3.28Å; Y323-H325 PolarHBondContact O-N 3.47Å; Y323-R364 HydrophobicContact CD2-CG 4.19Å; Y323-R364 HydrophobicContact CE1-CG 4.49Å; Y323-R364 HydrophobicContact CE2-CG 4.1Å; Y323-R364 HydrophobicContact CG-CG 4.41Å; Y323-R364 PolarHBondContact OH-NH2 2.79Å; Y323-V367 HydrophobicContact CD2-CB 4.21Å; Y323-V367 HydrophobicContact CD2-CG1 4Å; Y323-V367 HydrophobicContact CG-CG1 4.5Å; Y323-V367 WeakPolarHBondContact O-CG1 3.37Å
324L72.5Confident77Confident110 Ų11049.4 Ų49.458%0.57625%0.252SS*.THydrogen-bonded Turntrans-74.7-16.6-175.3-65.4174000113.6V322 T326V322-L324 VanDerWaalsContact C-N 3.25Å; V322-L324 PolarHBondContact O-N 3.14Å; V322-L324 VanDerWaalsContact O-N 3.13Å; L324-T326 PolarHBondContact O-N 3.21Å
325H72.1Confident76.3Confident44 Ų4447.8 Ų47.820%0.20424%0.243CC..  trans-101.659.1-172.4-58.6-66.6000112.4N278 L281 Y323 N327 A328N278-H325 PolarHBondContact OD1-CD2 3.16Å; N278-H325 PolarHBondContact OD1-NE2 3.15Å; L281-H325 HydrophobicContact CB-CB 3.91Å; L281-H325 HydrophobicContact CD1-CB 4.3Å; Y323-H325 VanDerWaalsContact C-N 3.28Å; Y323-H325 PolarHBondContact O-N 3.47Å; H325-N327 PolarHBondContact O-N 2.64Å; H325-A328 HydrophobicContact CB-CB 4.01Å; H325-A328 WeakPolarHBondContact O-CB 3.36Å; H325-A328 PolarHBondContact O-N 3.24Å
326T60Low75.7Confident31 Ų3149.7 Ų49.719%0.1925%0.253CS..THydrogen-bonded Turntrans-64.9-12.1-167.164.70000117.1L324 V367 R370L324-T326 PolarHBondContact O-N 3.21Å; T326-V367 HydrophobicContact CG2-CG1 3.47Å; T326-V367 VanDerWaalsContact CG2-CG1 3.47Å; T326-R370 PolarHBondContact OG1-NH2 3.36Å
327N59.2Low75.5Confident140 Ų14051.8 Ų51.875%0.74927%0.267SS*.THydrogen-bonded Turntrans-99.2-1.1175.3-64.5-23.1000112.7H325H325-N327 PolarHBondContact O-N 2.64Å
328A63.1Low75.4Confident20 Ų2046.6 Ų46.617%0.16525%0.248CC..  trans-95.3146.7-178.700000110.6L281 H325L281-A328 HydrophobicContact CB-CB 4.31Å; L281-A328 HydrophobicContact CD2-CB 3.73Å; H325-A328 HydrophobicContact CB-CB 4.01Å; H325-A328 WeakPolarHBondContact O-CB 3.36Å; H325-A328 PolarHBondContact O-N 3.24Å
329S64.7Low75.1Confident51 Ų5146.7 Ų46.736%0.35725%0.249SC..  trans-9913417554.40000110.9
330L70.3Confident75Confident0 Ų050.8 Ų50.80%027%0.266CS..  trans-101.490.5174.5-169.673.8000111.4I277 L281 W292 W299 M332 I371 L372 C375I277-L330 HydrophobicContact CG2-CD1 3.4Å; L281-L330 HydrophobicContact CD2-CD1 4.26Å; W292-L330 HydrophobicContact CH2-CD1 3.68Å; W292-L330 HydrophobicContact CZ2-CD1 3.69Å; W292-L330 HydrophobicContact CZ2-CG 4.49Å; W299-L330 HydrophobicContact CE3-CD2 4.34Å; W299-L330 HydrophobicContact CH2-CD2 3.98Å; W299-L330 HydrophobicContact CZ3-CD2 3.6Å; L330-M332 HydrophobicContact CD2-CG 4.04Å; L330-M332 HydrophobicContact CD2-SD 3.34Å; L330-M332 WeakPolarHBondContact CD2-SD 3.38Å; L330-M332 HydrophobicContact CG-CG 3.91Å; L330-M332 HydrophobicContact CG-SD 3.9Å; L330-M332 WeakPolarHBondContact O-CG 3.23Å; L330-M332 PolarHBondContact O-N 2.99Å; L330-I371 HydrophobicContact CB-CG2 3.87Å; L330-L372 HydrophobicContact CD2-CD2 4.27Å; L330-C375 VanDerWaalsContact CA-SG 3.55Å; L330-C375 PolarHBondContact N-SG 2.89Å; L330-C375 VanDerWaalsContact O-CB 3.3Å; L330-C375 WeakPolarHBondContact O-CB 3.46Å; L330-C375 PolarHBondContact O-SG 3.48Å
331H71.6Confident75.1Confident103 Ų10350.7 Ų50.748%0.47726%0.264SS..  trans-60.6112.2178.8-67.6-58.1000111.9E286 W292E286-H331 IonicContact OE1-CD2 2.85Å; W292-H331 PolarHBondContact NE1-O 2.96Å
332M73.8Confident75.3Confident22 Ų2249.5 Ų49.511%0.10826%0.256CS..  trans-137.3134.7-178.6-65.1178.273.600111.2T296 W299 L330 G335 L338 L372T296-M332 HydrophobicContact CG2-CG 4.46Å; W299-M332 HydrophobicContact CE3-CE 3.98Å; W299-M332 HydrophobicContact CE3-SD 4.36Å; W299-M332 HydrophobicContact CZ3-CE 3.77Å; W299-M332 HydrophobicContact CZ3-SD 3.73Å; L330-M332 HydrophobicContact CD2-CG 4.04Å; L330-M332 HydrophobicContact CD2-SD 3.34Å; L330-M332 WeakPolarHBondContact CD2-SD 3.38Å; L330-M332 HydrophobicContact CG-CG 3.91Å; L330-M332 HydrophobicContact CG-SD 3.9Å; L330-M332 WeakPolarHBondContact O-CG 3.23Å; L330-M332 PolarHBondContact O-N 2.99Å; M332-G335 PolarHBondContact O-N 3.47Å; M332-L338 HydrophobicContact CE-CD2 3.94Å; M332-L338 HydrophobicContact SD-CD2 4.4Å; M332-L372 HydrophobicContact SD-CD2 3.67Å
333E70.1Confident75.5Confident143 Ų14349.7 Ų49.767%0.66826%0.257SS*.THydrogen-bonded Turntrans-64.9-39.3176.3-73.5178.4-170.900112.1K293K293-E333 IonicContact NZ-OE1 2.76Å; K293-E333 PolarHBondContact NZ-OE1 2.76Å; K293-E333 IonicContact NZ-OE2 3.41Å; K293-E333 PolarHBondContact NZ-OE2 3.3Å
334S69Low75.9Confident41 Ų4149.5 Ų49.529%0.28726%0.262SS..THydrogen-bonded Turntrans-97.713-178.159.10000114.1N336 D337 L338S334-N336 PolarHBondContact O-N 2.96Å; S334-N336 VanDerWaalsContact O-N 3.1Å; S334-D337 PolarHBondContact O-N 3.16Å; S334-D337 VanDerWaalsContact O-N 3.08Å; S334-L338 PolarHBondContact O-N 3.32Å
335G75.8Confident76.6Confident1 Ų145.4 Ų45.41%0.0124%0.242CC..Hα-helixtrans-56.1-32.9-173.100000114M332 L339M332-G335 PolarHBondContact O-N 3.47Å; G335-L339 VanDerWaalsContact O-CB 3.26Å; G335-L339 WeakPolarHBondContact O-CB 3.37Å; G335-L339 PolarHBondContact O-N 3.38Å
336N77.8Confident77.3Confident40 Ų4043.3 Ų43.321%0.21423%0.232CC..Hα-helixtrans-64.9-44.3176.7-85.4-0.3000113.7S334 L339 K340 S376 S379S334-N336 PolarHBondContact O-N 2.96Å; S334-N336 VanDerWaalsContact O-N 3.1Å; N336-L339 PolarHBondContact O-N 3.42Å; N336-K340 WeakPolarHBondContact O-CG 3.46Å; N336-K340 PolarHBondContact O-N 3.36Å; N336-S376 WeakPolarHBondContact OD1-CB 3.41Å; N336-S376 PolarHBondContact OD1-OG 3.26Å; N336-S379 WeakPolarHBondContact ND2-CB 3.14Å; N336-S379 PolarHBondContact ND2-O 3.4Å; N336-S379 PolarHBondContact ND2-OG 3.35Å; N336-S379 PolarHBondContact OD1-O 3.32Å
337D81.9Confident78.3Confident101 Ų10143 Ų4354%0.5423%0.231SC..Hα-helixtrans-70.9-39.1-177.8-66.1-29.6000110.3S334 K340 K341S334-D337 PolarHBondContact O-N 3.16Å; S334-D337 VanDerWaalsContact O-N 3.08Å; D337-K340 PolarHBondContact O-N 3.29Å; D337-K341 WeakPolarHBondContact O-CB 3.46Å; D337-K341 PolarHBondContact O-N 2.89Å
338L85.7Confident78.9Confident6 Ų644.4 Ų44.43%0.03123%0.23CC..Hα-helixtrans-62.3-46.7173.1-179.560.4000111.5W299 L303 L307 M332 S334 K340 K341 I342 L372W299-L338 HydrophobicContact CH2-CD2 4.21Å; W299-L338 HydrophobicContact CZ3-CD2 3.88Å; L303-L338 HydrophobicContact CB-CD1 4.37Å; L303-L338 HydrophobicContact CD2-CD1 3.86Å; L303-L338 HydrophobicContact CD2-CD2 4.07Å; L303-L338 HydrophobicContact CD2-CG 4.41Å; L303-L338 HydrophobicContact CG-CD1 3.95Å; L307-L338 HydrophobicContact CD1-CD1 4.44Å; M332-L338 HydrophobicContact CE-CD2 3.94Å; M332-L338 HydrophobicContact SD-CD2 4.4Å; S334-L338 PolarHBondContact O-N 3.32Å; L338-K340 PolarHBondContact O-N 3.31Å; L338-K341 PolarHBondContact O-N 3.16Å; L338-I342 HydrophobicContact CD1-CD1 4.17Å; L338-I342 HydrophobicContact CD1-CG1 4.37Å; L338-I342 HydrophobicContact CG-CD1 3.99Å; L338-I342 VanDerWaalsContact O-CG1 3.32Å; L338-I342 WeakPolarHBondContact O-CG1 3.38Å; L338-I342 PolarHBondContact O-N 3.46Å; L338-L372 HydrophobicContact CD2-CD1 4.02Å; L338-L372 HydrophobicContact CD2-CD2 4.36Å; L338-L372 HydrophobicContact CG-CD1 4.04Å
339L86.7Confident78.5Confident3 Ų348 Ų482%0.01625%0.246CC..Hα-helixtrans-57.9-48.8176.717662.4000111.1G335 N336 K341 I342 L343 L372 I381 F415G335-L339 VanDerWaalsContact O-CB 3.26Å; G335-L339 WeakPolarHBondContact O-CB 3.37Å; G335-L339 PolarHBondContact O-N 3.38Å; N336-L339 PolarHBondContact O-N 3.42Å; L339-K341 VanDerWaalsContact C-N 3.32Å; L339-K341 PolarHBondContact O-N 3.15Å; L339-I342 PolarHBondContact O-N 3.22Å; L339-L343 HydrophobicContact CD1-CD1 4.11Å; L339-L343 HydrophobicContact CD1-CD2 4.46Å; L339-L343 HydrophobicContact CD1-CG 4.04Å; L339-L343 HydrophobicContact CG-CD1 4.06Å; L339-L343 HydrophobicContact CG-CG 4.36Å; L339-L343 WeakPolarHBondContact O-CG 3.4Å; L339-L343 PolarHBondContact O-N 3.49Å; L339-L372 HydrophobicContact CB-CB 4.4Å; L339-L372 HydrophobicContact CB-CD1 4.4Å; L339-L372 HydrophobicContact CD1-CB 4.36Å; L339-I381 HydrophobicContact CD2-CD1 3.53Å; L339-I381 HydrophobicContact CD2-CG1 3.7Å; L339-F415 HydrophobicContact CD1-CE2 4.22Å
340K86.7Confident77.7Confident87 Ų8747.5 Ų47.538%0.37824%0.243SC..Hα-helixtrans-58.5-43.1176.8-76.9178.31791760112.4N336 D337 L338 L343 S344 D385N336-K340 WeakPolarHBondContact O-CG 3.46Å; N336-K340 PolarHBondContact O-N 3.36Å; D337-K340 PolarHBondContact O-N 3.29Å; L338-K340 PolarHBondContact O-N 3.31Å; K340-L343 PolarHBondContact O-N 3.13Å; K340-S344 WeakPolarHBondContact O-CB 3.45Å; K340-S344 PolarHBondContact O-N 3.42Å; K340-D385 VanDerWaalsContact CE-OD2 3.3Å; K340-D385 WeakPolarHBondContact CE-OD2 3.33Å
341K88Confident76.5Confident47 Ų4754 Ų5420%0.20428%0.278CS..Hα-helixtrans-61-47177.2-176.265.1178.2-176.10110.7Y304 L307 D337 L338 L339 S344 V345Y304-K341 HydrophobicContact CD2-CB 4.05Å; Y304-K341 HydrophobicContact CD2-CG 3.96Å; Y304-K341 HydrophobicContact CE2-CB 3.82Å; Y304-K341 HydrophobicContact CE2-CD 4.05Å; Y304-K341 HydrophobicContact CE2-CG 3.8Å; L307-K341 HydrophobicContact CB-CG 4.29Å; L307-K341 HydrophobicContact CD1-CG 4.16Å; D337-K341 WeakPolarHBondContact O-CB 3.46Å; D337-K341 PolarHBondContact O-N 2.89Å; L338-K341 PolarHBondContact O-N 3.16Å; L339-K341 VanDerWaalsContact C-N 3.32Å; L339-K341 PolarHBondContact O-N 3.15Å; K341-S344 PolarHBondContact O-N 3.09Å; K341-S344 PolarHBondContact O-OG 2.99Å; K341-V345 WeakPolarHBondContact O-CG2 3.24Å; K341-V345 PolarHBondContact O-N 3.39Å
342I89.4Confident75Confident0 Ų053.3 Ų53.30%029%0.285CS..Hα-helixtrans-59.2-52.3177-66.8165.9000110.6L303 L307 L338 L339 S344 V345 V346 L365 L368 S369 L372L303-I342 HydrophobicContact CD2-CD1 4.47Å; L307-I342 HydrophobicContact CD1-CG1 3.7Å; L338-I342 HydrophobicContact CD1-CD1 4.17Å; L338-I342 HydrophobicContact CD1-CG1 4.37Å; L338-I342 HydrophobicContact CG-CD1 3.99Å; L338-I342 VanDerWaalsContact O-CG1 3.32Å; L338-I342 WeakPolarHBondContact O-CG1 3.38Å; L338-I342 PolarHBondContact O-N 3.46Å; L339-I342 PolarHBondContact O-N 3.22Å; I342-S344 VanDerWaalsContact C-N 3.28Å; I342-S344 PolarHBondContact O-N 2.91Å; I342-V345 WeakPolarHBondContact O-CB 3.39Å; I342-V345 PolarHBondContact O-N 3.22Å; I342-V346 HydrophobicContact CG2-CG1 4.47Å; I342-V346 WeakPolarHBondContact O-CG2 3.4Å; I342-V346 PolarHBondContact O-N 3.34Å; I342-L365 HydrophobicContact CG1-CD2 4.38Å; I342-L365 HydrophobicContact CG2-CB 3.78Å; I342-L365 HydrophobicContact CG2-CD2 4.14Å; I342-L365 HydrophobicContact CG2-CG 4.36Å; I342-L368 HydrophobicContact CD1-CD2 3.86Å; I342-L368 HydrophobicContact CD1-CG 4.29Å; I342-S369 WeakPolarHBondContact CG2-OG 3.44Å; I342-L372 HydrophobicContact CD1-CD1 3.65Å
343L88.7Confident73.7Confident5 Ų555.8 Ų55.83%0.02630%0.301CS..Hα-helixtrans-55.5-44.6179.3-68.3179.2000111.2L339 K340 V345 V346 T347 W366 D385 V389 F415L339-L343 HydrophobicContact CD1-CD1 4.11Å; L339-L343 HydrophobicContact CD1-CD2 4.46Å; L339-L343 HydrophobicContact CD1-CG 4.04Å; L339-L343 HydrophobicContact CG-CD1 4.06Å; L339-L343 HydrophobicContact CG-CG 4.36Å; L339-L343 WeakPolarHBondContact O-CG 3.4Å; L339-L343 PolarHBondContact O-N 3.49Å; K340-L343 PolarHBondContact O-N 3.13Å; L343-V345 PolarHBondContact O-N 2.94Å; L343-V346 HydrophobicContact CD2-CG2 4.49Å; L343-V346 WeakPolarHBondContact O-CG2 3.24Å; L343-V346 PolarHBondContact O-N 3.1Å; L343-T347 WeakPolarHBondContact O-CB 3.33Å; L343-T347 WeakPolarHBondContact O-CG2 3.4Å; L343-T347 PolarHBondContact O-N 3.12Å; L343-T347 PolarHBondContact O-OG1 3.49Å; L343-W366 HydrophobicContact CD2-CE3 4.25Å; L343-W366 HydrophobicContact CD2-CH2 3.93Å; L343-W366 HydrophobicContact CD2-CZ3 3.45Å; L343-W366 VanDerWaalsContact CD2-CZ3 3.45Å; L343-D385 HydrophobicContact CD1-CB 3.95Å; L343-V389 HydrophobicContact CD2-CG2 3.94Å; L343-F415 HydrophobicContact CD1-CZ 4.29Å; L343-F415 HydrophobicContact CD2-CE1 4.1Å; L343-F415 HydrophobicContact CD2-CZ 4.02Å
344S87.4Confident72.5Confident44 Ų4459 Ų5931%0.30831%0.312SS..Hα-helixtrans-61.8-28.1178.478.70000114.4K340 K341 I342 K348K340-S344 WeakPolarHBondContact O-CB 3.45Å; K340-S344 PolarHBondContact O-N 3.42Å; K341-S344 PolarHBondContact O-N 3.09Å; K341-S344 PolarHBondContact O-OG 2.99Å; I342-S344 VanDerWaalsContact C-N 3.28Å; I342-S344 PolarHBondContact O-N 2.91Å; S344-K348 WeakPolarHBondContact O-CB 3.44Å; S344-K348 WeakPolarHBondContact O-CD 3.44Å; S344-K348 WeakPolarHBondContact O-CG 3.46Å
345V86.6Confident71.9Confident24 Ų2463.2 Ų63.215%0.14533%0.328CS..Hα-helixtrans-78.4-48.2176.8170.20000109.8L307 K341 I342 L343 Y361 L365L307-V345 HydrophobicContact CD2-CG1 4.5Å; L307-V345 HydrophobicContact CD2-CG2 4.36Å; K341-V345 WeakPolarHBondContact O-CG2 3.24Å; K341-V345 PolarHBondContact O-N 3.39Å; I342-V345 WeakPolarHBondContact O-CB 3.39Å; I342-V345 PolarHBondContact O-N 3.22Å; L343-V345 PolarHBondContact O-N 2.94Å; V345-Y361 HydrophobicContact CG1-CE1 4.48Å; V345-L365 HydrophobicContact CG1-CD1 4.26Å
346V86.5Confident71.4Confident0 Ų069.5 Ų69.50%036%0.361CS..Hα-helixtrans-74.9-26.7-174.6-61.90000113.4I342 L343 H362 L365 W366 Y392I342-V346 HydrophobicContact CG2-CG1 4.47Å; I342-V346 WeakPolarHBondContact O-CG2 3.4Å; I342-V346 PolarHBondContact O-N 3.34Å; L343-V346 HydrophobicContact CD2-CG2 4.49Å; L343-V346 WeakPolarHBondContact O-CG2 3.24Å; L343-V346 PolarHBondContact O-N 3.1Å; V346-H362 HydrophobicContact CG1-CB 4.4Å; V346-L365 HydrophobicContact CG1-CB 3.58Å; V346-L365 HydrophobicContact CG1-CD1 3.8Å; V346-L365 HydrophobicContact CG1-CG 4.37Å; V346-W366 HydrophobicContact CB-CD2 4.5Å; V346-W366 HydrophobicContact CB-CZ2 3.96Å; V346-W366 HydrophobicContact CG2-CD2 3.98Å; V346-W366 VanDerWaalsContact CG2-CE2 3.45Å; V346-W366 HydrophobicContact CG2-CE3 4.32Å; V346-W366 HydrophobicContact CG2-CH2 3.71Å; V346-W366 HydrophobicContact CG2-CZ2 3.33Å; V346-W366 HydrophobicContact CG2-CZ3 4.19Å; V346-Y392 VanDerWaalsContact O-CE2 3.31Å; V346-Y392 WeakPolarHBondContact O-CE2 3.45Å
347T81.3Confident70.9Confident26 Ų2674.3 Ų74.316%0.1638%0.382CS..Hα-helixtrans-86-21.517960.50000113.8L343 N349 W366 D388L343-T347 WeakPolarHBondContact O-CB 3.33Å; L343-T347 WeakPolarHBondContact O-CG2 3.4Å; L343-T347 PolarHBondContact O-N 3.12Å; L343-T347 PolarHBondContact O-OG1 3.49Å; T347-N349 PolarHBondContact O-N 3.29Å; T347-W366 HydrophobicContact CG2-CH2 4.07Å; T347-W366 HydrophobicContact CG2-CZ2 4.24Å; T347-D388 HydrophobicContact CG2-CB 4.48Å
348K72.9Confident70.5Confident169 Ų16971.1 Ų71.174%0.73537%0.366SS*.SBendtrans-78.7-6.4-173-92.1-175.7174.5176.90116.6S344S344-K348 WeakPolarHBondContact O-CB 3.44Å; S344-K348 WeakPolarHBondContact O-CD 3.44Å; S344-K348 WeakPolarHBondContact O-CG 3.46Å
349N53.4Low70.1Confident95 Ų9572.3 Ų72.351%0.50837%0.373SS..  trans-13665.3-169.7-93.7-19.5000114.1T347T347-N349 PolarHBondContact O-N 3.29Å
350S48Very low69.7Low41 Ų4177.8 Ų77.829%0.28740%0.396SS..SBendtrans-89-15.7-176.346.70000116.5
351N45.7Very low69.5Low136 Ų13674.2 Ų74.273%0.72738%0.381SS*.SBendtrans-114.90.5-167.1-69.8-10.2000116.4
352S40.3Very low69.3Low89 Ų8972.9 Ų72.962%0.62238%0.375SS*.  trans-15051.4-167.169.60000116
353V45.6Very low69Low74 Ų7473.3 Ų73.345%0.44838%0.379SS..  trans-141.7102.2162-167.30000112.7E355 V358V353-E355 HydrophobicContact CG1-CB 4.1Å; V353-E355 PolarHBondContact O-N 3.39Å; V353-V358 HydrophobicContact CB-CB 4.44Å; V353-V358 HydrophobicContact CB-CG1 4.24Å; V353-V358 HydrophobicContact CG1-CB 3.72Å; V353-V358 HydrophobicContact CG1-CG1 4Å; V353-V358 HydrophobicContact CG1-CG2 3.75Å; V353-V358 HydrophobicContact CG2-CG1 4.2Å
354K44.9Very low68.8Low209 Ų20974.8 Ų74.891%0.90938%0.384SS*.  trans-79.185.8157-73.8-179.6176.4178.20108.1
355E57.8Low68.9Low131 Ų13172.7 Ų72.761%0.61237%0.369SS*.  trans-164.6126.8161-112.6161.4-153.600110.8V353 E357 V358 N359V353-E355 HydrophobicContact CG1-CB 4.1Å; V353-E355 PolarHBondContact O-N 3.39Å; E355-E357 PolarHBondContact O-N 3.22Å; E355-E357 VanDerWaalsContact O-N 3.12Å; E355-V358 PolarHBondContact O-N 3.31Å; E355-N359 PolarHBondContact O-N 3.16Å
356N64.4Low69Low133 Ų13371.5 Ų71.571%0.71136%0.362SS*.Hα-helixtrans-57.3-27.3-177.9-87.7-21.5000113K360N356-K360 WeakPolarHBondContact O-CG 3.45Å; N356-K360 PolarHBondContact O-N 3.1Å
357E66.5Low68.8Low141 Ų14172.6 Ų72.666%0.65937%0.369SS*.Hα-helixtrans-71.9-44.3-178.9-66.3-165.5155.100112.6E355 N359 K360 Y361E355-E357 PolarHBondContact O-N 3.22Å; E355-E357 VanDerWaalsContact O-N 3.12Å; E357-N359 VanDerWaalsContact C-N 3.31Å; E357-N359 PolarHBondContact O-N 3.27Å; E357-K360 PolarHBondContact O-N 2.94Å; E357-Y361 WeakPolarHBondContact O-CB 3.13Å; E357-Y361 PolarHBondContact O-N 3.42Å
358V74.2Confident69.1Low33 Ų3371.3 Ų71.320%0.236%0.361CS..Hα-helixtrans-64.3-37.8178.3177.80000111.4V353 E355 Y361 H362V353-V358 HydrophobicContact CB-CB 4.44Å; V353-V358 HydrophobicContact CB-CG1 4.24Å; V353-V358 HydrophobicContact CG1-CB 3.72Å; V353-V358 HydrophobicContact CG1-CG1 4Å; V353-V358 HydrophobicContact CG1-CG2 3.75Å; V353-V358 HydrophobicContact CG2-CG1 4.2Å; E355-V358 PolarHBondContact O-N 3.31Å; V358-Y361 WeakPolarHBondContact O-CB 3.26Å; V358-Y361 PolarHBondContact O-N 3.04Å; V358-H362 PolarHBondContact O-N 3.32Å
359N77.4Confident69.7Low32 Ų3263.3 Ų63.317%0.17133%0.326CS..Hα-helixtrans-64.6-43.5173.9170.845.2000112.5E355 E357 Y361 H362 A363 T406 S407 S408E355-N359 PolarHBondContact O-N 3.16Å; E357-N359 VanDerWaalsContact C-N 3.31Å; E357-N359 PolarHBondContact O-N 3.27Å; N359-Y361 VanDerWaalsContact C-N 3.28Å; N359-Y361 PolarHBondContact O-N 3.26Å; N359-H362 PolarHBondContact O-N 3.11Å; N359-A363 WeakPolarHBondContact O-CB 3.42Å; N359-A363 PolarHBondContact O-N 3.4Å; N359-T406 VanDerWaalsContact CG-CB 3.48Å; N359-T406 WeakPolarHBondContact OD1-CB 3.24Å; N359-T406 PolarHBondContact OD1-OG1 3.39Å; N359-S407 PolarHBondContact ND2-N 2.94Å; N359-S407 PolarHBondContact ND2-OG 3.3Å; N359-S407 PolarHBondContact OD1-N 3.3Å; N359-S407 PolarHBondContact OD1-OG 3.32Å; N359-S408 WeakPolarHBondContact OD1-CB 3.28Å; N359-S408 PolarHBondContact OD1-N 2.96Å
360K77.8Confident71.2Confident118 Ų11860.3 Ų60.351%0.51331%0.308SS..Hα-helixtrans-61.4-41.4175.3-75.9177.4-179.2178.20111.1F316 N356 E357 A363 R364F316-K360 HydrophobicContact CE2-CB 4.11Å; N356-K360 WeakPolarHBondContact O-CG 3.45Å; N356-K360 PolarHBondContact O-N 3.1Å; E357-K360 PolarHBondContact O-N 2.94Å; K360-A363 PolarHBondContact O-N 2.95Å; K360-R364 WeakPolarHBondContact O-CD 3.2Å; K360-R364 VanDerWaalsContact O-CG 3.31Å; K360-R364 WeakPolarHBondContact O-CG 3.4Å; K360-R364 PolarHBondContact O-N 2.73Å
361Y82Confident72.6Confident12 Ų1258.3 Ų58.35%0.04729%0.294CS..Hα-helixtrans-59.1-53.9176.1164.3-111.4000112.2L307 T312 V315 V345 E357 V358 N359 A363 R364 L365L307-Y361 VanDerWaalsContact CD2-OH 3.31Å; L307-Y361 WeakPolarHBondContact CD2-OH 2.92Å; T312-Y361 HydrophobicContact CG2-CD1 3.5Å; T312-Y361 HydrophobicContact CG2-CD2 3.73Å; T312-Y361 HydrophobicContact CG2-CE1 3.6Å; T312-Y361 HydrophobicContact CG2-CE2 3.8Å; T312-Y361 HydrophobicContact CG2-CG 3.57Å; V315-Y361 HydrophobicContact CB-CD2 4.47Å; V315-Y361 HydrophobicContact CB-CE2 3.69Å; V315-Y361 HydrophobicContact CG1-CD2 4.27Å; V315-Y361 HydrophobicContact CG1-CE2 3.5Å; V315-Y361 VanDerWaalsContact CG1-CE2 3.5Å; V315-Y361 HydrophobicContact CG2-CE2 4.22Å; V345-Y361 HydrophobicContact CG1-CE1 4.48Å; E357-Y361 WeakPolarHBondContact O-CB 3.13Å; E357-Y361 PolarHBondContact O-N 3.42Å; V358-Y361 WeakPolarHBondContact O-CB 3.26Å; V358-Y361 PolarHBondContact O-N 3.04Å; N359-Y361 VanDerWaalsContact C-N 3.28Å; N359-Y361 PolarHBondContact O-N 3.26Å; Y361-A363 PolarHBondContact O-N 2.77Å; Y361-R364 PolarHBondContact O-N 3.14Å; Y361-L365 HydrophobicContact CD2-CD1 4.42Å; Y361-L365 HydrophobicContact CE1-CD1 3.9Å; Y361-L365 HydrophobicContact CE2-CD1 3.77Å; Y361-L365 HydrophobicContact CE2-CG 4.19Å; Y361-L365 VanDerWaalsContact CZ-CD1 3.49Å; Y361-L365 PolarHBondContact O-N 2.86Å
362H85.4Confident74.3Confident18 Ų1851.9 Ų51.98%0.08326%0.259CS..Hα-helixtrans-62-40.5177.6-71.9-178.6000112.6V346 V358 N359 R364 L365 W366 S408V346-H362 HydrophobicContact CG1-CB 4.4Å; V358-H362 PolarHBondContact O-N 3.32Å; N359-H362 PolarHBondContact O-N 3.11Å; H362-R364 PolarHBondContact O-N 3.48Å; H362-L365 WeakPolarHBondContact O-CB 3.47Å; H362-L365 PolarHBondContact O-N 2.98Å; H362-W366 PolarHBondContact O-N 3.3Å; H362-S408 WeakPolarHBondContact CB-OG 3.23Å
363A83.2Confident76.3Confident10 Ų1047.7 Ų47.78%0.08323%0.23CC..Hα-helixtrans-56.5-41177.300000112.2N359 K360 Y361 W366 V367 A411N359-A363 WeakPolarHBondContact O-CB 3.42Å; N359-A363 PolarHBondContact O-N 3.4Å; K360-A363 PolarHBondContact O-N 2.95Å; Y361-A363 PolarHBondContact O-N 2.77Å; A363-W366 WeakPolarHBondContact O-CB 3.34Å; A363-W366 PolarHBondContact O-N 3.44Å; A363-V367 WeakPolarHBondContact O-CG2 3.29Å; A363-V367 PolarHBondContact O-N 3.32Å; A363-A411 HydrophobicContact CB-CB 4.4Å; A363-A411 WeakPolarHBondContact O-CB 3.5Å
364R84.5Confident77.5Confident35 Ų3546.4 Ų46.413%0.13222%0.219CC..Hα-helixtrans-72.2-35179.7-69.4157.6170.3-131.9-9.9112.9F316 N320 Y323 K360 Y361 H362 W366 V367 L368F316-R364 VanDerWaalsContact CE1-CZ 3.42Å; F316-R364 VanDerWaalsContact CZ-NH2 3.29Å; N320-R364 PolarHBondContact ND2-NH1 3.33Å; N320-R364 PolarHBondContact OD1-NH1 3.42Å; N320-R364 PolarHBondContact OD1-NH2 2.9Å; Y323-R364 HydrophobicContact CD2-CG 4.19Å; Y323-R364 HydrophobicContact CE1-CG 4.49Å; Y323-R364 HydrophobicContact CE2-CG 4.1Å; Y323-R364 HydrophobicContact CG-CG 4.41Å; Y323-R364 PolarHBondContact OH-NH2 2.79Å; K360-R364 WeakPolarHBondContact O-CD 3.2Å; K360-R364 VanDerWaalsContact O-CG 3.31Å; K360-R364 WeakPolarHBondContact O-CG 3.4Å; K360-R364 PolarHBondContact O-N 2.73Å; Y361-R364 PolarHBondContact O-N 3.14Å; H362-R364 PolarHBondContact O-N 3.48Å; R364-W366 VanDerWaalsContact C-N 3.33Å; R364-V367 PolarHBondContact O-N 2.78Å; R364-L368 WeakPolarHBondContact O-CB 3.36Å; R364-L368 PolarHBondContact O-N 2.8Å
365L89.2Confident78.4Confident0 Ų037.4 Ų37.40%018%0.182CC..Hα-helixtrans-63.9-39.2172.4-75-174.9000111.9L307 V315 T319 I342 V345 V346 Y361 H362 L368 S369L307-L365 HydrophobicContact CD2-CD1 3.95Å; L307-L365 HydrophobicContact CD2-CD2 4.2Å; V315-L365 HydrophobicContact CG1-CD2 3.87Å; T319-L365 HydrophobicContact CG2-CD2 4.47Å; I342-L365 HydrophobicContact CG1-CD2 4.38Å; I342-L365 HydrophobicContact CG2-CB 3.78Å; I342-L365 HydrophobicContact CG2-CD2 4.14Å; I342-L365 HydrophobicContact CG2-CG 4.36Å; V345-L365 HydrophobicContact CG1-CD1 4.26Å; V346-L365 HydrophobicContact CG1-CB 3.58Å; V346-L365 HydrophobicContact CG1-CD1 3.8Å; V346-L365 HydrophobicContact CG1-CG 4.37Å; Y361-L365 HydrophobicContact CD2-CD1 4.42Å; Y361-L365 HydrophobicContact CE1-CD1 3.9Å; Y361-L365 HydrophobicContact CE2-CD1 3.77Å; Y361-L365 HydrophobicContact CE2-CG 4.19Å; Y361-L365 VanDerWaalsContact CZ-CD1 3.49Å; Y361-L365 PolarHBondContact O-N 2.86Å; H362-L365 WeakPolarHBondContact O-CB 3.47Å; H362-L365 PolarHBondContact O-N 2.98Å; L365-L368 PolarHBondContact O-N 2.88Å; L365-S369 WeakPolarHBondContact O-CB 3.37Å; L365-S369 PolarHBondContact O-N 3.46Å; L365-S369 PolarHBondContact O-OG 3.19Å
366W88Confident78.6Confident0 Ų031.4 Ų31.40%016%0.155CC..Hα-helixtrans-62.2-46.4171.7-80.1117.4000112.4L343 V346 T347 H362 A363 R364 L368 S369 R370 V389 Y392 S408 A411 F415L343-W366 HydrophobicContact CD2-CE3 4.25Å; L343-W366 HydrophobicContact CD2-CH2 3.93Å; L343-W366 HydrophobicContact CD2-CZ3 3.45Å; L343-W366 VanDerWaalsContact CD2-CZ3 3.45Å; V346-W366 HydrophobicContact CB-CD2 4.5Å; V346-W366 HydrophobicContact CB-CZ2 3.96Å; V346-W366 HydrophobicContact CG2-CD2 3.98Å; V346-W366 VanDerWaalsContact CG2-CE2 3.45Å; V346-W366 HydrophobicContact CG2-CE3 4.32Å; V346-W366 HydrophobicContact CG2-CH2 3.71Å; V346-W366 HydrophobicContact CG2-CZ2 3.33Å; V346-W366 HydrophobicContact CG2-CZ3 4.19Å; T347-W366 HydrophobicContact CG2-CH2 4.07Å; T347-W366 HydrophobicContact CG2-CZ2 4.24Å; H362-W366 PolarHBondContact O-N 3.3Å; A363-W366 WeakPolarHBondContact O-CB 3.34Å; A363-W366 PolarHBondContact O-N 3.44Å; R364-W366 VanDerWaalsContact C-N 3.33Å; W366-L368 VanDerWaalsContact C-N 3.31Å; W366-L368 PolarHBondContact O-N 2.81Å; W366-S369 WeakPolarHBondContact O-CB 3.48Å; W366-S369 PolarHBondContact O-N 3.23Å; W366-S369 VanDerWaalsContact O-N 3.13Å; W366-R370 PolarHBondContact O-N 3.3Å; W366-R370 VanDerWaalsContact O-N 3.07Å; W366-V389 HydrophobicContact CH2-CB 4.18Å; W366-V389 HydrophobicContact CH2-CG1 3.77Å; W366-V389 HydrophobicContact CH2-CG2 3.67Å; W366-V389 HydrophobicContact CZ3-CG1 3.93Å; W366-V389 HydrophobicContact CZ3-CG2 3.84Å; W366-Y392 AromaticContact CZ2-CD1 3.96Å; W366-Y392 HydrophobicContact CZ2-CD1 3.96Å; W366-Y392 HydrophobicContact CZ2-CE1 4.03Å; W366-Y392 HydrophobicContact CZ2-CG 4.44Å; W366-S408 VanDerWaalsContact CD1-OG 3.23Å; W366-S408 PolarHBondContact NE1-OG 2.76Å; W366-A411 HydrophobicContact CB-CB 3.48Å; W366-A411 VanDerWaalsContact CB-CB 3.48Å; W366-A411 HydrophobicContact CG-CB 4.29Å; W366-F415 HydrophobicContact CE3-CB 3.92Å; W366-F415 AromaticContact CE3-CD1 4Å; W366-F415 HydrophobicContact CE3-CD1 4Å; W366-F415 AromaticContact CE3-CG 3.92Å; W366-F415 HydrophobicContact CE3-CG 3.92Å; W366-F415 HydrophobicContact CZ3-CB 4.36Å; W366-F415 AromaticContact CZ3-CD1 3.59Å; W366-F415 HydrophobicContact CZ3-CD1 3.59Å; W366-F415 HydrophobicContact CZ3-CE1 4.07Å; W366-F415 AromaticContact CZ3-CG 4Å; W366-F415 HydrophobicContact CZ3-CG 4Å
367V83.4Confident78Confident22 Ų2229.7 Ų29.713%0.13315%0.151CC..Hα-helixtrans-61.8-40.8176.81790000111.4Y323 T326 A363 R364 S369 R370 I371 A411Y323-V367 HydrophobicContact CD2-CB 4.21Å; Y323-V367 HydrophobicContact CD2-CG1 4Å; Y323-V367 HydrophobicContact CG-CG1 4.5Å; Y323-V367 WeakPolarHBondContact O-CG1 3.37Å; T326-V367 HydrophobicContact CG2-CG1 3.47Å; T326-V367 VanDerWaalsContact CG2-CG1 3.47Å; A363-V367 WeakPolarHBondContact O-CG2 3.29Å; A363-V367 PolarHBondContact O-N 3.32Å; R364-V367 PolarHBondContact O-N 2.78Å; V367-S369 VanDerWaalsContact C-N 3.32Å; V367-S369 PolarHBondContact O-N 3.01Å; V367-R370 WeakPolarHBondContact O-CB 3.14Å; V367-R370 PolarHBondContact O-N 2.86Å; V367-R370 VanDerWaalsContact O-N 3.16Å; V367-I371 PolarHBondContact O-N 3.22Å; V367-A411 HydrophobicContact CG2-CB 4.04Å
368L86.1Confident77.2Confident0 Ų028.5 Ų28.50%016%0.158CC..Hα-helixtrans-64.2-38.7174.8-17762.3000112W299 L303 T319 V322 I342 R364 L365 W366 R370 I371 L372W299-L368 HydrophobicContact CH2-CD1 3.92Å; W299-L368 HydrophobicContact CH2-CD2 3.96Å; W299-L368 HydrophobicContact CH2-CG 4.46Å; W299-L368 HydrophobicContact CZ2-CD1 4.21Å; W299-L368 HydrophobicContact CZ2-CD2 4.02Å; L303-L368 HydrophobicContact CD2-CD2 3.62Å; T319-L368 HydrophobicContact CG2-CD2 3.81Å; V322-L368 HydrophobicContact CG1-CD1 4.03Å; I342-L368 HydrophobicContact CD1-CD2 3.86Å; I342-L368 HydrophobicContact CD1-CG 4.29Å; R364-L368 WeakPolarHBondContact O-CB 3.36Å; R364-L368 PolarHBondContact O-N 2.8Å; L365-L368 PolarHBondContact O-N 2.88Å; W366-L368 VanDerWaalsContact C-N 3.31Å; W366-L368 PolarHBondContact O-N 2.81Å; L368-R370 PolarHBondContact O-N 3.4Å; L368-I371 WeakPolarHBondContact O-CB 3.46Å; L368-I371 PolarHBondContact O-N 3.44Å; L368-L372 HydrophobicContact CG-CD1 4.19Å; L368-L372 HydrophobicContact CG-CG 4.45Å; L368-L372 WeakPolarHBondContact O-CG 3.39Å; L368-L372 PolarHBondContact O-N 3.44Å
369S86.8Confident76Confident0 Ų029.1 Ų29.10%016%0.164CC..Hα-helixtrans-58.7-35.8174.8-57.70000111.3I342 L365 W366 V367 I371 L372 V373I342-S369 WeakPolarHBondContact CG2-OG 3.44Å; L365-S369 WeakPolarHBondContact O-CB 3.37Å; L365-S369 PolarHBondContact O-N 3.46Å; L365-S369 PolarHBondContact O-OG 3.19Å; W366-S369 WeakPolarHBondContact O-CB 3.48Å; W366-S369 PolarHBondContact O-N 3.23Å; W366-S369 VanDerWaalsContact O-N 3.13Å; V367-S369 VanDerWaalsContact C-N 3.32Å; V367-S369 PolarHBondContact O-N 3.01Å; S369-I371 VanDerWaalsContact C-N 3.33Å; S369-I371 PolarHBondContact O-N 2.92Å; S369-L372 PolarHBondContact O-N 3.24Å; S369-V373 PolarHBondContact O-N 2.97Å
370R83.6Confident74.9Confident32 Ų3233.9 Ų33.912%0.12119%0.188CC..Hα-helixtrans-68-28.9174.4-165.2173.587.3-161.721.7113.2T326 W366 V367 L368 V373 H374 D414 F415 E418T326-R370 PolarHBondContact OG1-NH2 3.36Å; W366-R370 PolarHBondContact O-N 3.3Å; W366-R370 VanDerWaalsContact O-N 3.07Å; V367-R370 WeakPolarHBondContact O-CB 3.14Å; V367-R370 PolarHBondContact O-N 2.86Å; V367-R370 VanDerWaalsContact O-N 3.16Å; L368-R370 PolarHBondContact O-N 3.4Å; R370-V373 WeakPolarHBondContact O-CG1 3.31Å; R370-H374 PolarHBondContact O-CD2 2.88Å; R370-D414 IonicContact NH1-OD2 3.48Å; R370-D414 PolarHBondContact NH1-OD2 3.46Å; R370-F415 HydrophobicContact CB-CD2 4.39Å; R370-E418 HydrophobicContact CG-CB 3.79Å; R370-E418 HydrophobicContact CG-CG 3.88Å
371I78.7Confident74.3Confident0 Ų028.6 Ų28.60%017%0.165CC..Hα-helixtrans-73.9-44.2172.1-66.7171.5000109.7V322 L330 V367 L368 S369 V373 H374 C375V322-I371 WeakPolarHBondContact O-CD1 3.49Å; L330-I371 HydrophobicContact CB-CG2 3.87Å; V367-I371 PolarHBondContact O-N 3.22Å; L368-I371 WeakPolarHBondContact O-CB 3.46Å; L368-I371 PolarHBondContact O-N 3.44Å; S369-I371 VanDerWaalsContact C-N 3.33Å; S369-I371 PolarHBondContact O-N 2.92Å; I371-V373 PolarHBondContact O-N 2.82Å; I371-H374 PolarHBondContact O-N 3.17Å; I371-C375 PolarHBondContact O-SG 3.31Å
372L81.6Confident73.8Confident0 Ų029.3 Ų29.30%017%0.172CC..Hα-helixtrans-67.6-34.6-177.3-67.1172.3000113.2L330 M332 L338 L339 I342 L368 S369 H374 C375L330-L372 HydrophobicContact CD2-CD2 4.27Å; M332-L372 HydrophobicContact SD-CD2 3.67Å; L338-L372 HydrophobicContact CD2-CD1 4.02Å; L338-L372 HydrophobicContact CD2-CD2 4.36Å; L338-L372 HydrophobicContact CG-CD1 4.04Å; L339-L372 HydrophobicContact CB-CB 4.4Å; L339-L372 HydrophobicContact CB-CD1 4.4Å; L339-L372 HydrophobicContact CD1-CB 4.36Å; I342-L372 HydrophobicContact CD1-CD1 3.65Å; L368-L372 HydrophobicContact CG-CD1 4.19Å; L368-L372 HydrophobicContact CG-CG 4.45Å; L368-L372 WeakPolarHBondContact O-CG 3.39Å; L368-L372 PolarHBondContact O-N 3.44Å; S369-L372 PolarHBondContact O-N 3.24Å; L372-H374 PolarHBondContact O-N 3.29Å; L372-C375 VanDerWaalsContact O-CB 3.23Å; L372-C375 WeakPolarHBondContact O-CB 3.17Å; L372-C375 PolarHBondContact O-N 3.03Å
373V80.5Confident73.1Confident1 Ų132.4 Ų32.41%0.00619%0.189CC..Hα-helixtrans-57.1-36.9178.478.70000112.2S369 R370 I371 C375 S376 I381 F415 E418 V419 L422S369-V373 PolarHBondContact O-N 2.97Å; R370-V373 WeakPolarHBondContact O-CG1 3.31Å; I371-V373 PolarHBondContact O-N 2.82Å; V373-C375 PolarHBondContact O-N 3.14Å; V373-S376 PolarHBondContact O-N 3.5Å; V373-I381 HydrophobicContact CB-CD1 4.02Å; V373-I381 HydrophobicContact CG2-CD1 3.09Å; V373-F415 HydrophobicContact CB-CE2 4.14Å; V373-F415 HydrophobicContact CG2-CE2 4.28Å; V373-E418 HydrophobicContact CG1-CB 4.48Å; V373-E418 HydrophobicContact CG1-CG 3.91Å; V373-V419 HydrophobicContact CG2-CG2 3.87Å; V373-L422 HydrophobicContact CB-CD1 4.25Å; V373-L422 HydrophobicContact CG1-CD1 3.81Å; V373-L422 HydrophobicContact CG2-CD1 3.69Å
374H71.1Confident72.9Confident47 Ų4735.3 Ų35.322%0.21821%0.208CC..THydrogen-bonded Turntrans-67.5-19.5178-82.4-64.2000113.5R370 I371 L372 S376 P377 E418R370-H374 PolarHBondContact O-CD2 2.88Å; I371-H374 PolarHBondContact O-N 3.17Å; L372-H374 PolarHBondContact O-N 3.29Å; H374-S376 VanDerWaalsContact C-N 3.3Å; H374-P377 WeakPolarHBondContact O-CD 3.3Å; H374-E418 IonicContact CE1-OE1 2.56Å; H374-E418 PolarHBondContact CE1-OE1 3.26Å; H374-E418 VanDerWaalsContact NE2-CD 3.3Å; H374-E418 IonicContact NE2-OE1 2.72Å; H374-E418 PolarHBondContact NE2-OE1 3.32Å
375C64.4Low72.5Confident20 Ų2034.7 Ų34.714%0.13521%0.208CC..THydrogen-bonded Turntrans-84.8-14.4-176.3-46.40000111.6L330 I371 L372 V373 P377L330-C375 VanDerWaalsContact CA-SG 3.55Å; L330-C375 PolarHBondContact N-SG 2.89Å; L330-C375 VanDerWaalsContact O-CB 3.3Å; L330-C375 WeakPolarHBondContact O-CB 3.46Å; L330-C375 PolarHBondContact O-SG 3.48Å; I371-C375 PolarHBondContact O-SG 3.31Å; L372-C375 VanDerWaalsContact O-CB 3.23Å; L372-C375 WeakPolarHBondContact O-CB 3.17Å; L372-C375 PolarHBondContact O-N 3.03Å; V373-C375 PolarHBondContact O-N 3.14Å; C375-P377 WeakPolarHBondContact O-CD 3.36Å
376S61.1Low72.1Confident6 Ų634.9 Ų34.94%0.04221%0.209CC..  trans-119.344.3-177.5-62.10000113.8N336 V373 H374 S378 S379N336-S376 WeakPolarHBondContact OD1-CB 3.41Å; N336-S376 PolarHBondContact OD1-OG 3.26Å; V373-S376 PolarHBondContact O-N 3.5Å; H374-S376 VanDerWaalsContact C-N 3.3Å; S376-S378 PolarHBondContact O-N 3.32Å; S376-S379 WeakPolarHBondContact CA-OG 3.4Å; S376-S379 WeakPolarHBondContact CB-OG 3.32Å; S376-S379 PolarHBondContact O-N 3.46Å; S376-S379 PolarHBondContact OG-OG 3.01Å
377P53.1Low72Confident96 Ų9636.6 Ų36.662%0.62322%0.219SC*.SBendtrans-65.9-21.9-179.681.4000112.5H374 C375H374-P377 WeakPolarHBondContact O-CD 3.3Å; C375-P377 WeakPolarHBondContact O-CD 3.36Å
378S48.9Very low72Confident116 Ų11639.4 Ų39.481%0.81123%0.233SC*.SBendtrans-108.4-7.3179.7460000114.3S376S376-S378 PolarHBondContact O-N 3.32Å
379S48.5Very low72.1Confident46 Ų4639.4 Ų39.432%0.32223%0.233SC..SBendtrans-118.468.1-177.456.60000111.3N336 S376 I381N336-S379 WeakPolarHBondContact ND2-CB 3.14Å; N336-S379 PolarHBondContact ND2-O 3.4Å; N336-S379 PolarHBondContact ND2-OG 3.35Å; N336-S379 PolarHBondContact OD1-O 3.32Å; S376-S379 WeakPolarHBondContact CA-OG 3.4Å; S376-S379 WeakPolarHBondContact CB-OG 3.32Å; S376-S379 PolarHBondContact O-N 3.46Å; S376-S379 PolarHBondContact OG-OG 3.01Å; S379-I381 PolarHBondContact O-N 3.43Å
380I55.9Low72.1Confident132 Ų13239.4 Ų39.468%0.67723%0.233SC*.  trans1588.8159.5-47.8171.1000112.7S382I380-S382 PolarHBondContact O-N 3.39Å; I380-S382 VanDerWaalsContact O-N 3.13Å
381I64.1Low72.3Confident8 Ų840.9 Ų40.94%0.04124%0.244CC..  trans-55.1123.5149.8-66.8173.2000104.8L339 V373 S379 L383 D385 V386 Y423L339-I381 HydrophobicContact CD2-CD1 3.53Å; L339-I381 HydrophobicContact CD2-CG1 3.7Å; V373-I381 HydrophobicContact CB-CD1 4.02Å; V373-I381 HydrophobicContact CG2-CD1 3.09Å; S379-I381 PolarHBondContact O-N 3.43Å; I381-L383 PolarHBondContact O-N 3.36Å; I381-D385 HydrophobicContact CG2-CB 3.88Å; I381-V386 HydrophobicContact CG2-CG2 3.63Å; I381-Y423 HydrophobicContact CB-CE2 4.46Å; I381-Y423 WeakPolarHBondContact CB-OH 3.49Å; I381-Y423 PolarHBondContact N-OH 2.81Å
382S71.1Confident72.7Confident26 Ų2641.4 Ų41.418%0.18225%0.246CC..  trans-64.4142.5-173.575.80000108.2I380 S384 D385 V386I380-S382 PolarHBondContact O-N 3.39Å; I380-S382 VanDerWaalsContact O-N 3.13Å; S382-S384 PolarHBondContact O-N 3.43Å; S382-S384 VanDerWaalsContact O-N 3.09Å; S382-S384 PolarHBondContact OG-OG 3.12Å; S382-D385 WeakPolarHBondContact CB-OD2 3.3Å; S382-D385 PolarHBondContact N-OD2 3.21Å; S382-D385 WeakPolarHBondContact O-CB 3.36Å; S382-D385 PolarHBondContact O-N 2.96Å; S382-D385 PolarHBondContact OG-N 3.01Å; S382-D385 PolarHBondContact OG-OD1 3.23Å; S382-D385 PolarHBondContact OG-OD2 2.95Å; S382-V386 PolarHBondContact O-N 2.93Å
383L71.3Confident72.8Confident84 Ų8441.5 Ų41.544%0.4425%0.246SC..Hα-helixtrans-56.3-30178.7-155.292.7000111.3I381 T387 A430I381-L383 PolarHBondContact O-N 3.36Å; L383-T387 WeakPolarHBondContact O-CB 3.45Å; L383-T387 PolarHBondContact O-N 3.32Å; L383-T387 PolarHBondContact O-OG1 2.97Å; L383-A430 HydrophobicContact CD1-CB 3.51Å; L383-A430 HydrophobicContact CD2-CB 3.95Å; L383-A430 HydrophobicContact CG-CB 4.29Å
384S78Confident73.1Confident70 Ų7042.5 Ų42.549%0.4925%0.253SS..Hα-helixtrans-61.6-45.3172.236.20000112.6S382 V386 T387 D388S382-S384 PolarHBondContact O-N 3.43Å; S382-S384 VanDerWaalsContact O-N 3.09Å; S382-S384 PolarHBondContact OG-OG 3.12Å; S384-V386 VanDerWaalsContact C-N 3.3Å; S384-V386 PolarHBondContact O-N 2.92Å; S384-T387 WeakPolarHBondContact O-CB 3.2Å; S384-T387 PolarHBondContact O-N 2.8Å; S384-T387 VanDerWaalsContact O-N 3.09Å; S384-D388 PolarHBondContact O-N 2.95Å
385D77.8Confident73.8Confident23 Ų2342.3 Ų42.312%0.12326%0.257CS..Hα-helixtrans-61.6-40.9179.8-57.4-42.4000110.8K340 L343 I381 S382 D388 V389K340-D385 VanDerWaalsContact CE-OD2 3.3Å; K340-D385 WeakPolarHBondContact CE-OD2 3.33Å; L343-D385 HydrophobicContact CD1-CB 3.95Å; I381-D385 HydrophobicContact CG2-CB 3.88Å; S382-D385 WeakPolarHBondContact CB-OD2 3.3Å; S382-D385 PolarHBondContact N-OD2 3.21Å; S382-D385 WeakPolarHBondContact O-CB 3.36Å; S382-D385 PolarHBondContact O-N 2.96Å; S382-D385 PolarHBondContact OG-N 3.01Å; S382-D385 PolarHBondContact OG-OD1 3.23Å; S382-D385 PolarHBondContact OG-OD2 2.95Å; D385-D388 PolarHBondContact O-N 2.96Å; D385-V389 WeakPolarHBondContact O-CG2 3.19Å; D385-V389 PolarHBondContact O-N 3.08Å
386V79.6Confident74.5Confident4 Ų442.4 Ų42.42%0.02426%0.255CS..Hα-helixtrans-68.3-37.4176-170.90000111.4I381 S382 S384 D388 V389 V390 F416 V419 L434I381-V386 HydrophobicContact CG2-CG2 3.63Å; S382-V386 PolarHBondContact O-N 2.93Å; S384-V386 VanDerWaalsContact C-N 3.3Å; S384-V386 PolarHBondContact O-N 2.92Å; V386-D388 VanDerWaalsContact C-N 3.33Å; V386-V389 PolarHBondContact O-N 3.22Å; V386-V390 WeakPolarHBondContact O-CG2 3.41Å; V386-V390 PolarHBondContact O-N 3.35Å; V386-V390 VanDerWaalsContact O-N 3.09Å; V386-F416 HydrophobicContact CG1-CD2 4.45Å; V386-F416 HydrophobicContact CG1-CE2 4.34Å; V386-V419 HydrophobicContact CG1-CG1 3.74Å; V386-V419 HydrophobicContact CG2-CG1 3.9Å; V386-L434 HydrophobicContact CB-CD1 4.22Å; V386-L434 HydrophobicContact CG1-CD1 3.75Å
387T85.4Confident75.2Confident35 Ų3542.1 Ų42.122%0.21525%0.253CS..Hα-helixtrans-63.5-42177.3-56.60000110.7L383 S384 V389 V390 D391 L434L383-T387 WeakPolarHBondContact O-CB 3.45Å; L383-T387 PolarHBondContact O-N 3.32Å; L383-T387 PolarHBondContact O-OG1 2.97Å; S384-T387 WeakPolarHBondContact O-CB 3.2Å; S384-T387 PolarHBondContact O-N 2.8Å; S384-T387 VanDerWaalsContact O-N 3.09Å; T387-V389 VanDerWaalsContact C-N 3.29Å; T387-V389 PolarHBondContact O-N 3.38Å; T387-V390 PolarHBondContact O-N 2.83Å; T387-V390 VanDerWaalsContact O-N 3.15Å; T387-D391 WeakPolarHBondContact O-CB 3.39Å; T387-D391 VanDerWaalsContact O-CG 3.29Å; T387-D391 PolarHBondContact O-N 3.37Å; T387-L434 HydrophobicContact CG2-CD2 4.28Å
388D85.1Confident76.2Confident81 Ų8141.7 Ų41.743%0.43325%0.245SC..Hα-helixtrans-61.8-36.9177.4-68.4-14000112T347 S384 D385 V386 D391 Y392T347-D388 HydrophobicContact CG2-CB 4.48Å; S384-D388 PolarHBondContact O-N 2.95Å; D385-D388 PolarHBondContact O-N 2.96Å; V386-D388 VanDerWaalsContact C-N 3.33Å; D388-D391 PolarHBondContact O-N 2.98Å; D388-Y392 WeakPolarHBondContact O-CB 3.45Å; D388-Y392 PolarHBondContact O-N 2.87Å
389V86.7Confident77.2Confident0 Ų038.4 Ų38.40%022%0.218CC..Hα-helixtrans-65.1-44174177.20000111.5L343 W366 D385 V386 T387 D391 Y392 L393 F415 F416L343-V389 HydrophobicContact CD2-CG2 3.94Å; W366-V389 HydrophobicContact CH2-CB 4.18Å; W366-V389 HydrophobicContact CH2-CG1 3.77Å; W366-V389 HydrophobicContact CH2-CG2 3.67Å; W366-V389 HydrophobicContact CZ3-CG1 3.93Å; W366-V389 HydrophobicContact CZ3-CG2 3.84Å; D385-V389 WeakPolarHBondContact O-CG2 3.19Å; D385-V389 PolarHBondContact O-N 3.08Å; V386-V389 PolarHBondContact O-N 3.22Å; T387-V389 VanDerWaalsContact C-N 3.29Å; T387-V389 PolarHBondContact O-N 3.38Å; V389-D391 VanDerWaalsContact C-N 3.3Å; V389-D391 PolarHBondContact O-N 3.33Å; V389-Y392 WeakPolarHBondContact O-CB 3.39Å; V389-Y392 PolarHBondContact O-N 2.78Å; V389-L393 HydrophobicContact CG1-CD1 4.43Å; V389-L393 WeakPolarHBondContact O-CG 3.39Å; V389-L393 PolarHBondContact O-N 3.24Å; V389-F415 HydrophobicContact CB-CE1 4.43Å; V389-F415 HydrophobicContact CG1-CD1 3.94Å; V389-F415 HydrophobicContact CG1-CE1 4.19Å; V389-F415 HydrophobicContact CG2-CD1 4.22Å; V389-F415 HydrophobicContact CG2-CE1 3.71Å; V389-F416 HydrophobicContact CG1-CB 4.4Å
390V87.2Confident77.6Confident0 Ų041 Ų410%024%0.237CC..Hα-helixtrans-65.3-39.3177.7173.30000110.5V386 T387 Y392 L393 V394 F416 L434 K437 L438V386-V390 WeakPolarHBondContact O-CG2 3.41Å; V386-V390 PolarHBondContact O-N 3.35Å; V386-V390 VanDerWaalsContact O-N 3.09Å; T387-V390 PolarHBondContact O-N 2.83Å; T387-V390 VanDerWaalsContact O-N 3.15Å; V390-Y392 VanDerWaalsContact C-N 3.32Å; V390-Y392 PolarHBondContact O-N 2.93Å; V390-L393 PolarHBondContact O-N 3.18Å; V390-V394 HydrophobicContact CG1-CG2 4.19Å; V390-V394 WeakPolarHBondContact O-CB 3.33Å; V390-V394 WeakPolarHBondContact O-CG2 3.22Å; V390-V394 PolarHBondContact O-N 3.2Å; V390-F416 HydrophobicContact CG2-CD2 3.73Å; V390-F416 HydrophobicContact CG2-CE2 3.31Å; V390-F416 HydrophobicContact CG2-CZ 3.84Å; V390-L434 HydrophobicContact CB-CD2 4.26Å; V390-L434 HydrophobicContact CG1-CD2 4.35Å; V390-L434 HydrophobicContact CG2-CB 4.12Å; V390-L434 HydrophobicContact CG2-CD2 4.2Å; V390-K437 HydrophobicContact CG1-CB 4.41Å; V390-K437 HydrophobicContact CG1-CD 4.13Å; V390-K437 HydrophobicContact CG1-CG 4.37Å; V390-L438 HydrophobicContact CG1-CB 4.37Å
391D88.3Confident77.7Confident63 Ų6340.8 Ų40.834%0.33724%0.242SC..Hα-helixtrans-66.1-37.6177.2-71.9-5.5000111.8T387 D388 V389 V394 S395 K437T387-D391 WeakPolarHBondContact O-CB 3.39Å; T387-D391 VanDerWaalsContact O-CG 3.29Å; T387-D391 PolarHBondContact O-N 3.37Å; D388-D391 PolarHBondContact O-N 2.98Å; V389-D391 VanDerWaalsContact C-N 3.3Å; V389-D391 PolarHBondContact O-N 3.33Å; D391-V394 PolarHBondContact O-N 3.18Å; D391-S395 PolarHBondContact O-N 2.92Å; D391-K437 WeakPolarHBondContact OD1-CE 3.24Å; D391-K437 IonicContact OD1-NZ 2.69Å; D391-K437 PolarHBondContact OD1-NZ 3.38Å; D391-K437 IonicContact OD2-NZ 3.96Å
392Y86.1Confident77.1Confident12 Ų1241.9 Ų41.95%0.04725%0.25CC..Hα-helixtrans-61.4-45.5170.1174-89.7000112.2V346 W366 D388 V389 V390 S395 H396V346-Y392 VanDerWaalsContact O-CE2 3.31Å; V346-Y392 WeakPolarHBondContact O-CE2 3.45Å; W366-Y392 AromaticContact CZ2-CD1 3.96Å; W366-Y392 HydrophobicContact CZ2-CD1 3.96Å; W366-Y392 HydrophobicContact CZ2-CE1 4.03Å; W366-Y392 HydrophobicContact CZ2-CG 4.44Å; D388-Y392 WeakPolarHBondContact O-CB 3.45Å; D388-Y392 PolarHBondContact O-N 2.87Å; V389-Y392 WeakPolarHBondContact O-CB 3.39Å; V389-Y392 PolarHBondContact O-N 2.78Å; V390-Y392 VanDerWaalsContact C-N 3.32Å; V390-Y392 PolarHBondContact O-N 2.93Å; Y392-S395 PolarHBondContact O-N 3.32Å; Y392-S395 PolarHBondContact O-OG 3.32Å; Y392-H396 AromaticContact CD2-CE1 3.92Å; Y392-H396 AromaticContact CE1-CE1 3.82Å; Y392-H396 AromaticContact CE1-ND1 3.99Å; Y392-H396 AromaticContact CE2-CE1 3.42Å; Y392-H396 VanDerWaalsContact CE2-CE1 3.42Å; Y392-H396 WeakPolarHBondContact CE2-CE1 3.34Å; Y392-H396 AromaticContact CZ-CE1 3.33Å; Y392-H396 AromaticContact CZ-ND1 3.97Å; Y392-H396 PolarHBondContact O-N 3.39Å; Y392-H396 PolarHBondContact O-ND1 3.23Å
393L85.7Confident76.3Confident1 Ų147 Ų471%0.00528%0.275CS..Hα-helixtrans-64.4-44.9176.4-73.9170.4000111.6V389 V390 S395 H396 C397 S412 F413 F416 L438 F454V389-L393 HydrophobicContact CG1-CD1 4.43Å; V389-L393 WeakPolarHBondContact O-CG 3.39Å; V389-L393 PolarHBondContact O-N 3.24Å; V390-L393 PolarHBondContact O-N 3.18Å; L393-S395 VanDerWaalsContact C-N 3.31Å; L393-S395 PolarHBondContact O-N 2.96Å; L393-H396 PolarHBondContact O-N 3.33Å; L393-H396 VanDerWaalsContact O-N 3.15Å; L393-C397 PolarHBondContact O-N 3.38Å; L393-C397 PolarHBondContact O-SG 2.88Å; L393-S412 WeakPolarHBondContact CD2-OG 3.42Å; L393-F413 HydrophobicContact CD2-CB 4.39Å; L393-F413 HydrophobicContact CD2-CD2 4.48Å; L393-F416 HydrophobicContact CD1-CB 3.91Å; L393-F416 HydrophobicContact CD1-CD1 4.3Å; L393-F416 HydrophobicContact CD1-CG 4.15Å; L393-L438 HydrophobicContact CB-CD1 3.74Å; L393-L438 HydrophobicContact CD1-CD2 4.14Å; L393-F454 HydrophobicContact CB-CE1 4.47Å; L393-F454 HydrophobicContact CD2-CE1 4.07Å; L393-F454 HydrophobicContact CD2-CZ 4.27Å
394V86Confident75.5Confident23 Ų2343.8 Ų43.814%0.13926%0.259CS..Hα-helixtrans-60-39.4177.7164.30000111.5V390 D391 H396 C397 N398 K437 L438V390-V394 HydrophobicContact CG1-CG2 4.19Å; V390-V394 WeakPolarHBondContact O-CB 3.33Å; V390-V394 WeakPolarHBondContact O-CG2 3.22Å; V390-V394 PolarHBondContact O-N 3.2Å; D391-V394 PolarHBondContact O-N 3.18Å; V394-H396 VanDerWaalsContact C-N 3.26Å; V394-H396 PolarHBondContact O-N 3.45Å; V394-C397 PolarHBondContact O-N 3.31Å; V394-N398 PolarHBondContact O-N 3.44Å; V394-N398 PolarHBondContact O-ND2 3.36Å; V394-K437 HydrophobicContact CG2-CG 4.5Å; V394-L438 HydrophobicContact CG2-CD1 4.12Å
395S85Confident74.7Confident43 Ų4342.7 Ų42.730%0.30125%0.247SC..Hα-helixtrans-61.9-37.7177.875.40000111.8D391 Y392 L393 N398 D399D391-S395 PolarHBondContact O-N 2.92Å; Y392-S395 PolarHBondContact O-N 3.32Å; Y392-S395 PolarHBondContact O-OG 3.32Å; L393-S395 VanDerWaalsContact C-N 3.31Å; L393-S395 PolarHBondContact O-N 2.96Å; S395-N398 PolarHBondContact O-N 3.11Å; S395-D399 PolarHBondContact O-N 2.64Å
396H79.2Confident74.3Confident22 Ų2243.9 Ų43.910%0.10226%0.255CS..Hα-helixtrans-74.3-33.6176.9-69.783.4000112.4Y392 L393 V394 N398 D399 I409Y392-H396 AromaticContact CD2-CE1 3.92Å; Y392-H396 AromaticContact CE1-CE1 3.82Å; Y392-H396 AromaticContact CE1-ND1 3.99Å; Y392-H396 AromaticContact CE2-CE1 3.42Å; Y392-H396 VanDerWaalsContact CE2-CE1 3.42Å; Y392-H396 WeakPolarHBondContact CE2-CE1 3.34Å; Y392-H396 AromaticContact CZ-CE1 3.33Å; Y392-H396 AromaticContact CZ-ND1 3.97Å; Y392-H396 PolarHBondContact O-N 3.39Å; Y392-H396 PolarHBondContact O-ND1 3.23Å; L393-H396 PolarHBondContact O-N 3.33Å; L393-H396 VanDerWaalsContact O-N 3.15Å; V394-H396 VanDerWaalsContact C-N 3.26Å; V394-H396 PolarHBondContact O-N 3.45Å; H396-N398 PolarHBondContact O-N 3.02Å; H396-D399 PolarHBondContact O-N 3.19Å; H396-I409 HydrophobicContact CB-CD1 4.31Å
397C76.8Confident74Confident0 Ų046.1 Ų46.10%027%0.271CS..Hα-helixtrans-60-30.5172.1-69.50000112.7L393 V394 T445 F454L393-C397 PolarHBondContact O-N 3.38Å; L393-C397 PolarHBondContact O-SG 2.88Å; V394-C397 PolarHBondContact O-N 3.31Å; C397-T445 WeakPolarHBondContact O-CB 3.32Å; C397-T445 PolarHBondContact O-OG1 2.89Å; C397-F454 VanDerWaalsContact SG-CD1 3.56Å; C397-F454 WeakPolarHBondContact SG-CE1 3.25Å
398N74.3Confident73.7Confident87 Ų8744.5 Ų44.547%0.46526%0.261SS..THydrogen-bonded Turntrans-96.1-2.7-176.4-65-40.8000113.9V394 S395 H396 S400 S441V394-N398 PolarHBondContact O-N 3.44Å; V394-N398 PolarHBondContact O-ND2 3.36Å; S395-N398 PolarHBondContact O-N 3.11Å; H396-N398 PolarHBondContact O-N 3.02Å; N398-S400 PolarHBondContact O-N 3.08Å; N398-S441 PolarHBondContact ND2-OG 3.12Å; N398-S441 VanDerWaalsContact ND2-OG 3.07Å; N398-S441 PolarHBondContact OD1-OG 2.89Å
399D69.5Low73.4Confident46 Ų4640.9 Ų40.925%0.24624%0.242CC..  trans-79.6111.6-179.7-166.2-9.1000111S395 H396 V401 S402S395-D399 PolarHBondContact O-N 2.64Å; H396-D399 PolarHBondContact O-N 3.19Å; D399-V401 VanDerWaalsContact C-N 3.34Å; D399-V401 PolarHBondContact OD1-N 3.26Å; D399-V401 VanDerWaalsContact OD1-N 3.12Å; D399-S402 VanDerWaalsContact OD2-CB 3.31Å; D399-S402 WeakPolarHBondContact OD2-CB 3.43Å
400S57.2Low73.1Confident102 Ų10245.2 Ų45.271%0.71326%0.259SS*.SBendtrans-78.7-13.7-176.856.60000114N398N398-S400 PolarHBondContact O-N 3.08Å
401V56.7Low72.9Confident127 Ų12745.5 Ų45.577%0.7726%0.261SS*.SBendtrans-117.2-11.7-168.8-1680000112.9D399D399-V401 VanDerWaalsContact C-N 3.34Å; D399-V401 PolarHBondContact OD1-N 3.26Å; D399-V401 VanDerWaalsContact OD1-N 3.12Å
402S52.1Low72.9Confident31 Ų3142.5 Ų42.522%0.21725%0.245CC..SBendtrans-77148-174.963.40000113.8D399D399-S402 VanDerWaalsContact OD2-CB 3.31Å; D399-S402 WeakPolarHBondContact OD2-CB 3.43Å
403N55.5Low72.9Confident134 Ų13442.1 Ų42.172%0.71724%0.244SC*.  trans-66.3121.6169.4-1537000107M405N403-M405 PolarHBondContact O-N 2.78Å
404P53.9Low72.8Confident16 Ų1644.4 Ų44.410%0.10426%0.256CS..SBendtrans-65-17.3-145.4-2533.7000116.4R449 I450P404-R449 HydrophobicContact CB-CB 3.87Å; P404-R449 HydrophobicContact CG-CB 3.64Å; P404-R449 HydrophobicContact CG-CG 4.32Å; P404-I450 HydrophobicContact CB-CG1 3.77Å
405M60.1Low72.8Confident46 Ų4643.3 Ų43.323%0.22725%0.249CC..  trans-153.8100.4-162.8-85.5-66.9149.100110.5N403 I409 Y410 T453 F454N403-M405 PolarHBondContact O-N 2.78Å; M405-I409 HydrophobicContact CE-CG2 4.12Å; M405-I409 HydrophobicContact SD-CG2 4.18Å; M405-Y410 HydrophobicContact CB-CE2 3.73Å; M405-Y410 HydrophobicContact CG-CE2 3.88Å; M405-Y410 HydrophobicContact SD-CD1 4.06Å; M405-Y410 HydrophobicContact SD-CD2 3.94Å; M405-Y410 HydrophobicContact SD-CE1 3.61Å; M405-Y410 HydrophobicContact SD-CE2 3.49Å; M405-Y410 WeakPolarHBondContact SD-CE2 3.1Å; M405-Y410 HydrophobicContact SD-CG 4.22Å; M405-T453 VanDerWaalsContact CE-CB 3.42Å; M405-T453 HydrophobicContact CE-CG2 3.25Å; M405-T453 HydrophobicContact CG-CG2 3.89Å; M405-T453 HydrophobicContact SD-CG2 3.52Å; M405-T453 VanDerWaalsContact SD-CG2 3.52Å; M405-F454 HydrophobicContact CE-CD2 3.48Å; M405-F454 VanDerWaalsContact CE-CD2 3.48Å; M405-F454 HydrophobicContact CE-CE2 3.45Å; M405-F454 VanDerWaalsContact CE-CE2 3.45Å
406T69.4Low72.9Confident48 Ų4841.2 Ų41.229%0.29424%0.235SC..  trans-94.5150.6167.470.30000108.5N359 S408 I409 Y410N359-T406 VanDerWaalsContact CG-CB 3.48Å; N359-T406 WeakPolarHBondContact OD1-CB 3.24Å; N359-T406 PolarHBondContact OD1-OG1 3.39Å; T406-S408 PolarHBondContact O-N 2.93Å; T406-I409 PolarHBondContact O-N 3.42Å; T406-I409 WeakPolarHBondContact OG1-CG1 3.31Å; T406-Y410 PolarHBondContact O-N 3.47Å
407S74.9Confident73.1Confident51 Ų5140.9 Ų40.936%0.35723%0.233SC..Hα-helixtrans-51.5-27.1175.249.80000113.1N359 A411N359-S407 PolarHBondContact ND2-N 2.94Å; N359-S407 PolarHBondContact ND2-OG 3.3Å; N359-S407 PolarHBondContact OD1-N 3.3Å; N359-S407 PolarHBondContact OD1-OG 3.32Å; S407-A411 WeakPolarHBondContact O-CB 3.43Å; S407-A411 PolarHBondContact O-N 3.06Å; S407-A411 VanDerWaalsContact O-N 3.14Å
408S78.7Confident73.3Confident2 Ų241.4 Ų41.41%0.01424%0.236CC..Hα-helixtrans-68.8-35.9175.5-173.80000113.6N359 H362 W366 T406 S412N359-S408 WeakPolarHBondContact OD1-CB 3.28Å; N359-S408 PolarHBondContact OD1-N 2.96Å; H362-S408 WeakPolarHBondContact CB-OG 3.23Å; W366-S408 VanDerWaalsContact CD1-OG 3.23Å; W366-S408 PolarHBondContact NE1-OG 2.76Å; T406-S408 PolarHBondContact O-N 2.93Å; S408-S412 WeakPolarHBondContact O-CB 3.13Å; S408-S412 PolarHBondContact O-N 3.24Å; S408-S412 PolarHBondContact O-OG 3.26Å
409I79.1Confident73.7Confident5 Ų537.3 Ų37.33%0.02621%0.214CC..Hα-helixtrans-67.1-48179.2-65169000109.3H396 M405 T406 A411 S412 F413 F454H396-I409 HydrophobicContact CB-CD1 4.31Å; M405-I409 HydrophobicContact CE-CG2 4.12Å; M405-I409 HydrophobicContact SD-CG2 4.18Å; T406-I409 PolarHBondContact O-N 3.42Å; T406-I409 WeakPolarHBondContact OG1-CG1 3.31Å; I409-A411 PolarHBondContact O-N 3.49Å; I409-S412 WeakPolarHBondContact CA-OG 3.49Å; I409-S412 PolarHBondContact O-N 2.68Å; I409-S412 VanDerWaalsContact O-N 3.15Å; I409-S412 PolarHBondContact O-OG 3.42Å; I409-F413 PolarHBondContact O-N 3.24Å; I409-F454 HydrophobicContact CG2-CE2 3.82Å; I409-F454 HydrophobicContact CG2-CZ 3.67Å
410Y79.5Confident74.2Confident90 Ų9035.1 Ų35.135%0.35320%0.202SC..Hα-helixtrans-54.6-50.9174.4-74.7-66000112M405 T406 S412 F413 D414 T453 H457M405-Y410 HydrophobicContact CB-CE2 3.73Å; M405-Y410 HydrophobicContact CG-CE2 3.88Å; M405-Y410 HydrophobicContact SD-CD1 4.06Å; M405-Y410 HydrophobicContact SD-CD2 3.94Å; M405-Y410 HydrophobicContact SD-CE1 3.61Å; M405-Y410 HydrophobicContact SD-CE2 3.49Å; M405-Y410 WeakPolarHBondContact SD-CE2 3.1Å; M405-Y410 HydrophobicContact SD-CG 4.22Å; T406-Y410 PolarHBondContact O-N 3.47Å; Y410-S412 VanDerWaalsContact C-N 3.27Å; Y410-S412 PolarHBondContact O-N 2.98Å; Y410-F413 PolarHBondContact O-N 2.96Å; Y410-F413 VanDerWaalsContact O-N 3.15Å; Y410-D414 PolarHBondContact O-N 3.37Å; Y410-T453 HydrophobicContact CE1-CG2 3.46Å; Y410-T453 VanDerWaalsContact CE1-CG2 3.46Å; Y410-T453 WeakPolarHBondContact OH-CG2 3.43Å; Y410-H457 AromaticContact CD1-CE1 3.82Å; Y410-H457 AromaticContact CD1-NE2 3.18Å; Y410-H457 WeakPolarHBondContact CD1-NE2 3.24Å; Y410-H457 AromaticContact CE1-NE2 3.22Å; Y410-H457 WeakPolarHBondContact CE1-NE2 3.31Å
411A83.2Confident75.1Confident7 Ų732.6 Ų32.66%0.05818%0.177CC..Hα-helixtrans-62.8-33.7179.900000112.9A363 W366 V367 S407 I409 F415A363-A411 HydrophobicContact CB-CB 4.4Å; A363-A411 WeakPolarHBondContact O-CB 3.5Å; W366-A411 HydrophobicContact CB-CB 3.48Å; W366-A411 VanDerWaalsContact CB-CB 3.48Å; W366-A411 HydrophobicContact CG-CB 4.29Å; V367-A411 HydrophobicContact CG2-CB 4.04Å; S407-A411 WeakPolarHBondContact O-CB 3.43Å; S407-A411 PolarHBondContact O-N 3.06Å; S407-A411 VanDerWaalsContact O-N 3.14Å; I409-A411 PolarHBondContact O-N 3.49Å; A411-F415 PolarHBondContact O-N 3.1Å
412S87.3Confident76Confident0 Ų029.2 Ų29.20%015%0.154CC..Hα-helixtrans-70.6-35.7175.569.20000113L393 S408 I409 Y410 F415 F416L393-S412 WeakPolarHBondContact CD2-OG 3.42Å; S408-S412 WeakPolarHBondContact O-CB 3.13Å; S408-S412 PolarHBondContact O-N 3.24Å; S408-S412 PolarHBondContact O-OG 3.26Å; I409-S412 WeakPolarHBondContact CA-OG 3.49Å; I409-S412 PolarHBondContact O-N 2.68Å; I409-S412 VanDerWaalsContact O-N 3.15Å; I409-S412 PolarHBondContact O-OG 3.42Å; Y410-S412 VanDerWaalsContact C-N 3.27Å; Y410-S412 PolarHBondContact O-N 2.98Å; S412-F415 PolarHBondContact O-N 3.42Å; S412-F416 PolarHBondContact O-N 2.93Å
413F85.7Confident77Confident4 Ų429.7 Ų29.72%0.01815%0.152CC..Hα-helixtrans-67.7-46.6174.2-160.8-69000110.4L393 I409 Y410 F415 F416 E417 L438 F454 H457 F458L393-F413 HydrophobicContact CD2-CB 4.39Å; L393-F413 HydrophobicContact CD2-CD2 4.48Å; I409-F413 PolarHBondContact O-N 3.24Å; Y410-F413 PolarHBondContact O-N 2.96Å; Y410-F413 VanDerWaalsContact O-N 3.15Å; F413-F415 PolarHBondContact O-N 2.92Å; F413-F416 CarbonylContact O-C 3.6Å; F413-F416 WeakPolarHBondContact O-CA 3.37Å; F413-F416 WeakPolarHBondContact O-CB 3.38Å; F413-F416 PolarHBondContact O-N 3.49Å; F413-E417 PolarHBondContact O-N 3.44Å; F413-L438 HydrophobicContact CD2-CD2 4.44Å; F413-L438 HydrophobicContact CE2-CD2 3.78Å; F413-L438 HydrophobicContact CZ-CD2 4.31Å; F413-F454 AromaticContact CD2-CD1 3.86Å; F413-F454 HydrophobicContact CD2-CD1 3.86Å; F413-F454 AromaticContact CD2-CE1 3.93Å; F413-F454 HydrophobicContact CD2-CE1 3.93Å; F413-F454 AromaticContact CE2-CD1 3.82Å; F413-F454 HydrophobicContact CE2-CD1 3.82Å; F413-F454 HydrophobicContact CE2-CE1 4.29Å; F413-H457 HydrophobicContact CD1-CB 3.51Å; F413-H457 HydrophobicContact CD2-CB 4.12Å; F413-H457 HydrophobicContact CE1-CB 3.35Å; F413-H457 HydrophobicContact CE2-CB 3.94Å; F413-H457 HydrophobicContact CG-CB 3.92Å; F413-H457 HydrophobicContact CZ-CB 3.56Å; F413-F458 HydrophobicContact CZ-CB 4.38Å
414D83.6Confident77.6Confident48 Ų4824.2 Ų24.226%0.25712%0.121SC..Hα-helixtrans-57.1-39.7175.9-77.88.4000112.1R370 Y410 E417 E418R370-D414 IonicContact NH1-OD2 3.48Å; R370-D414 PolarHBondContact NH1-OD2 3.46Å; Y410-D414 PolarHBondContact O-N 3.37Å; D414-E417 PolarHBondContact O-N 3.48Å; D414-E418 PolarHBondContact O-N 2.88Å
415F86.9Confident77.9Confident0 Ų025.5 Ų25.50%014%0.138CC..Hα-helixtrans-62.3-46.7173.4169.5-92.6000111.3L339 L343 W366 R370 V373 V389 A411 S412 F413 E417 E418 V419L339-F415 HydrophobicContact CD1-CE2 4.22Å; L343-F415 HydrophobicContact CD1-CZ 4.29Å; L343-F415 HydrophobicContact CD2-CE1 4.1Å; L343-F415 HydrophobicContact CD2-CZ 4.02Å; W366-F415 HydrophobicContact CE3-CB 3.92Å; W366-F415 AromaticContact CE3-CD1 4Å; W366-F415 HydrophobicContact CE3-CD1 4Å; W366-F415 AromaticContact CE3-CG 3.92Å; W366-F415 HydrophobicContact CE3-CG 3.92Å; W366-F415 HydrophobicContact CZ3-CB 4.36Å; W366-F415 AromaticContact CZ3-CD1 3.59Å; W366-F415 HydrophobicContact CZ3-CD1 3.59Å; W366-F415 HydrophobicContact CZ3-CE1 4.07Å; W366-F415 AromaticContact CZ3-CG 4Å; W366-F415 HydrophobicContact CZ3-CG 4Å; R370-F415 HydrophobicContact CB-CD2 4.39Å; V373-F415 HydrophobicContact CB-CE2 4.14Å; V373-F415 HydrophobicContact CG2-CE2 4.28Å; V389-F415 HydrophobicContact CB-CE1 4.43Å; V389-F415 HydrophobicContact CG1-CD1 3.94Å; V389-F415 HydrophobicContact CG1-CE1 4.19Å; V389-F415 HydrophobicContact CG2-CD1 4.22Å; V389-F415 HydrophobicContact CG2-CE1 3.71Å; A411-F415 PolarHBondContact O-N 3.1Å; S412-F415 PolarHBondContact O-N 3.42Å; F413-F415 PolarHBondContact O-N 2.92Å; F415-E417 VanDerWaalsContact C-N 3.31Å; F415-E417 PolarHBondContact O-N 3.26Å; F415-E418 PolarHBondContact O-N 3.46Å; F415-V419 HydrophobicContact CD1-CG2 4.21Å; F415-V419 HydrophobicContact CE1-CG2 3.67Å; F415-V419 HydrophobicContact CE2-CG2 4.14Å; F415-V419 HydrophobicContact CZ-CG2 3.64Å; F415-V419 WeakPolarHBondContact O-CG2 3.36Å; F415-V419 PolarHBondContact O-N 3.33Å
416F87.2Confident77.9Confident0 Ų026.9 Ų26.90%015%0.152CC..Hα-helixtrans-62.5-38.9177.8177.6-114.1000112.3V386 V389 V390 L393 S412 F413 E418 V419 C420 L434 I435 L438 L461V386-F416 HydrophobicContact CG1-CD2 4.45Å; V386-F416 HydrophobicContact CG1-CE2 4.34Å; V389-F416 HydrophobicContact CG1-CB 4.4Å; V390-F416 HydrophobicContact CG2-CD2 3.73Å; V390-F416 HydrophobicContact CG2-CE2 3.31Å; V390-F416 HydrophobicContact CG2-CZ 3.84Å; L393-F416 HydrophobicContact CD1-CB 3.91Å; L393-F416 HydrophobicContact CD1-CD1 4.3Å; L393-F416 HydrophobicContact CD1-CG 4.15Å; S412-F416 PolarHBondContact O-N 2.93Å; F413-F416 CarbonylContact O-C 3.6Å; F413-F416 WeakPolarHBondContact O-CA 3.37Å; F413-F416 WeakPolarHBondContact O-CB 3.38Å; F413-F416 PolarHBondContact O-N 3.49Å; F416-E418 VanDerWaalsContact C-N 3.34Å; F416-V419 PolarHBondContact O-N 2.92Å; F416-C420 VanDerWaalsContact CZ-SG 3.5Å; F416-C420 PolarHBondContact O-N 3.25Å; F416-C420 PolarHBondContact O-SG 3.49Å; F416-L434 HydrophobicContact CE2-CB 4.49Å; F416-I435 HydrophobicContact CE1-CG1 4.24Å; F416-I435 HydrophobicContact CZ-CG1 3.9Å; F416-L438 HydrophobicContact CD1-CD2 3.97Å; F416-L438 HydrophobicContact CE1-CD2 3.81Å; F416-L461 HydrophobicContact CE1-CD2 4.37Å
417E82.9Confident77.6Confident14 Ų1433 Ų337%0.06517%0.174CC..Hα-helixtrans-59.9-44.6173.3172.6171.917600111.3F413 D414 F415 V419 C420 R421 L461F413-E417 PolarHBondContact O-N 3.44Å; D414-E417 PolarHBondContact O-N 3.48Å; F415-E417 VanDerWaalsContact C-N 3.31Å; F415-E417 PolarHBondContact O-N 3.26Å; E417-V419 PolarHBondContact O-N 3.19Å; E417-C420 WeakPolarHBondContact O-CB 3.48Å; E417-C420 PolarHBondContact O-N 3.3Å; E417-C420 VanDerWaalsContact O-N 3.16Å; E417-R421 WeakPolarHBondContact O-CG 3.21Å; E417-R421 PolarHBondContact O-N 3.3Å; E417-R421 IonicContact OE1-CZ 2.82Å; E417-R421 IonicContact OE1-NE 2.53Å; E417-R421 PolarHBondContact OE1-NE 2.56Å; E417-R421 IonicContact OE1-NH2 3.7Å; E417-R421 PolarHBondContact OE1-NH2 3.32Å; E417-L461 HydrophobicContact CB-CD1 4.17Å; E417-L461 HydrophobicContact CG-CD1 3.84Å
418E81.6Confident77.1Confident12 Ų1233.4 Ų33.46%0.05617%0.172CC..Hα-helixtrans-64.9-40.2177-162.555.8-127.800112.2R370 V373 H374 D414 F415 F416 C420 R421 L422R370-E418 HydrophobicContact CG-CB 3.79Å; R370-E418 HydrophobicContact CG-CG 3.88Å; V373-E418 HydrophobicContact CG1-CB 4.48Å; V373-E418 HydrophobicContact CG1-CG 3.91Å; H374-E418 IonicContact CE1-OE1 2.56Å; H374-E418 PolarHBondContact CE1-OE1 3.26Å; H374-E418 VanDerWaalsContact NE2-CD 3.3Å; H374-E418 IonicContact NE2-OE1 2.72Å; H374-E418 PolarHBondContact NE2-OE1 3.32Å; D414-E418 PolarHBondContact O-N 2.88Å; F415-E418 PolarHBondContact O-N 3.46Å; F416-E418 VanDerWaalsContact C-N 3.34Å; E418-C420 VanDerWaalsContact C-N 3.32Å; E418-C420 PolarHBondContact O-N 3.45Å; E418-R421 PolarHBondContact O-N 2.83Å; E418-R421 IonicContact OE2-CZ 3.94Å; E418-R421 IonicContact OE2-NE 2.61Å; E418-R421 IonicContact OE2-NH1 3.54Å; E418-R421 PolarHBondContact OE2-NH1 2.97Å; E418-L422 WeakPolarHBondContact O-CG 3.35Å; E418-L422 PolarHBondContact O-N 3.2Å
419V82.8Confident76.6Confident0 Ų036.9 Ų36.90%020%0.197CC..Hα-helixtrans-58.8-45.9171.4173.50000110.3V373 V386 F415 F416 E417 R421 L422 Y423 I431V373-V419 HydrophobicContact CG2-CG2 3.87Å; V386-V419 HydrophobicContact CG1-CG1 3.74Å; V386-V419 HydrophobicContact CG2-CG1 3.9Å; F415-V419 HydrophobicContact CD1-CG2 4.21Å; F415-V419 HydrophobicContact CE1-CG2 3.67Å; F415-V419 HydrophobicContact CE2-CG2 4.14Å; F415-V419 HydrophobicContact CZ-CG2 3.64Å; F415-V419 WeakPolarHBondContact O-CG2 3.36Å; F415-V419 PolarHBondContact O-N 3.33Å; F416-V419 PolarHBondContact O-N 2.92Å; E417-V419 PolarHBondContact O-N 3.19Å; V419-R421 VanDerWaalsContact C-N 3.34Å; V419-R421 PolarHBondContact O-N 3.18Å; V419-L422 PolarHBondContact O-N 3.32Å; V419-Y423 HydrophobicContact CG1-CD2 3.68Å; V419-Y423 HydrophobicContact CG1-CE2 4.04Å; V419-Y423 VanDerWaalsContact O-CD2 3.3Å; V419-Y423 WeakPolarHBondContact O-CD2 3.2Å; V419-Y423 PolarHBondContact O-N 2.94Å; V419-I431 HydrophobicContact CG1-CD1 4.42Å
420C80.1Confident76.4Confident0 Ų037.5 Ų37.50%020%0.203CC..Hα-helixtrans-58.3-46.6176.1-68.20000111F416 E417 E418 L422 Y423 W424 I431 I435 L461 L465F416-C420 VanDerWaalsContact CZ-SG 3.5Å; F416-C420 PolarHBondContact O-N 3.25Å; F416-C420 PolarHBondContact O-SG 3.49Å; E417-C420 WeakPolarHBondContact O-CB 3.48Å; E417-C420 PolarHBondContact O-N 3.3Å; E417-C420 VanDerWaalsContact O-N 3.16Å; E418-C420 VanDerWaalsContact C-N 3.32Å; E418-C420 PolarHBondContact O-N 3.45Å; C420-L422 PolarHBondContact O-N 3.47Å; C420-Y423 PolarHBondContact O-N 3.4Å; C420-W424 WeakPolarHBondContact O-CB 3.06Å; C420-W424 PolarHBondContact O-N 3.06Å; C420-I431 HydrophobicContact CB-CG2 4.47Å; C420-I435 HydrophobicContact CB-CD1 4.44Å; C420-L461 HydrophobicContact CB-CD1 3.72Å; C420-L465 HydrophobicContact CB-CD1 4.38Å
421R76.6Confident76.2Confident50 Ų5033.4 Ų33.419%0.18919%0.187CC..Hα-helixtrans-58.3-44.8177.4-68.5171.5-170.6177.8-8.1112.1E417 E418 V419 E464 Y469E417-R421 WeakPolarHBondContact O-CG 3.21Å; E417-R421 PolarHBondContact O-N 3.3Å; E417-R421 IonicContact OE1-CZ 2.82Å; E417-R421 IonicContact OE1-NE 2.53Å; E417-R421 PolarHBondContact OE1-NE 2.56Å; E417-R421 IonicContact OE1-NH2 3.7Å; E417-R421 PolarHBondContact OE1-NH2 3.32Å; E418-R421 PolarHBondContact O-N 2.83Å; E418-R421 IonicContact OE2-CZ 3.94Å; E418-R421 IonicContact OE2-NE 2.61Å; E418-R421 IonicContact OE2-NH1 3.54Å; E418-R421 PolarHBondContact OE2-NH1 2.97Å; V419-R421 VanDerWaalsContact C-N 3.34Å; V419-R421 PolarHBondContact O-N 3.18Å; R421-E464 IonicContact CZ-OE1 3.44Å; R421-E464 IonicContact CZ-OE2 2.7Å; R421-E464 VanDerWaalsContact CZ-OE2 3.25Å; R421-E464 IonicContact NE-OE1 2.71Å; R421-E464 PolarHBondContact NE-OE1 3.29Å; R421-E464 IonicContact NE-OE2 3.53Å; R421-E464 PolarHBondContact NE-OE2 3.1Å; R421-E464 IonicContact NH1-OE1 3.34Å; R421-E464 IonicContact NH2-OE1 3.43Å; R421-E464 PolarHBondContact NH2-OE1 2.96Å; R421-E464 IonicContact NH2-OE2 3.85Å; R421-E464 PolarHBondContact NH2-OE2 3.37Å; R421-Y469 PolarHBondContact O-OH 3.26Å
422L74.3Confident75.9Confident56 Ų5635.7 Ų35.729%0.29320%0.198SC..Hα-helixtrans-67.3-45.3-179-71.1172.9000112.3V373 E418 V419 C420V373-L422 HydrophobicContact CB-CD1 4.25Å; V373-L422 HydrophobicContact CG1-CD1 3.81Å; V373-L422 HydrophobicContact CG2-CD1 3.69Å; E418-L422 WeakPolarHBondContact O-CG 3.35Å; E418-L422 PolarHBondContact O-N 3.2Å; V419-L422 PolarHBondContact O-N 3.32Å; C420-L422 PolarHBondContact O-N 3.47Å
423Y73.2Confident75.6Confident40 Ų4043 Ų4316%0.15723%0.23CC..Hα-helixtrans-88-24.5-173.1-74.6-85.5000114.1I381 V419 C420 G425 S426 I431I381-Y423 HydrophobicContact CB-CE2 4.46Å; I381-Y423 WeakPolarHBondContact CB-OH 3.49Å; I381-Y423 PolarHBondContact N-OH 2.81Å; V419-Y423 HydrophobicContact CG1-CD2 3.68Å; V419-Y423 HydrophobicContact CG1-CE2 4.04Å; V419-Y423 VanDerWaalsContact O-CD2 3.3Å; V419-Y423 WeakPolarHBondContact O-CD2 3.2Å; V419-Y423 PolarHBondContact O-N 2.94Å; C420-Y423 PolarHBondContact O-N 3.4Å; Y423-G425 PolarHBondContact O-N 3.37Å; Y423-S426 WeakPolarHBondContact O-CB 3.32Å; Y423-S426 PolarHBondContact O-N 3.45Å; Y423-S426 PolarHBondContact O-OG 3.02Å; Y423-I431 HydrophobicContact CG-CD1 4.21Å; Y423-I431 HydrophobicContact CG-CG1 4.41Å
424W67.8Low75.6Confident19 Ų1943.4 Ų43.47%0.07223%0.232CC..Hα-helixtrans-62.2-35.2179.5-161.2-89.3000112.2C420 S426 K427 I431 D432 I435 L465 Y469 V474 F478C420-W424 WeakPolarHBondContact O-CB 3.06Å; C420-W424 PolarHBondContact O-N 3.06Å; W424-S426 PolarHBondContact O-N 3.17Å; W424-S426 VanDerWaalsContact O-N 3.11Å; W424-K427 PolarHBondContact O-N 3.18Å; W424-I431 HydrophobicContact CE3-CB 4.45Å; W424-I431 HydrophobicContact CE3-CG2 3.8Å; W424-I431 HydrophobicContact CZ3-CG2 4.1Å; W424-D432 HydrophobicContact CH2-CB 4.33Å; W424-D432 WeakPolarHBondContact CH2-OD1 3.27Å; W424-D432 HydrophobicContact CZ3-CB 4.35Å; W424-D432 WeakPolarHBondContact CZ3-OD1 3.26Å; W424-I435 HydrophobicContact CE3-CD1 3.94Å; W424-I435 HydrophobicContact CH2-CD1 4.36Å; W424-I435 HydrophobicContact CZ3-CD1 3.49Å; W424-I435 VanDerWaalsContact CZ3-CD1 3.49Å; W424-L465 HydrophobicContact CB-CD2 3.81Å; W424-L465 HydrophobicContact CD2-CD1 4.19Å; W424-L465 HydrophobicContact CD2-CD2 4.38Å; W424-L465 HydrophobicContact CE3-CD1 4.17Å; W424-L465 HydrophobicContact CG-CD2 3.92Å; W424-Y469 HydrophobicContact CB-CD2 4.38Å; W424-Y469 HydrophobicContact CB-CE2 3.99Å; W424-Y469 AromaticContact CD1-CD2 3.4Å; W424-Y469 VanDerWaalsContact CD1-CD2 3.4Å; W424-Y469 AromaticContact CD1-CE2 3.91Å; W424-Y469 AromaticContact CD1-CG 3.8Å; W424-Y469 HydrophobicContact CG-CD2 4.18Å; W424-Y469 HydrophobicContact CG-CE2 4.28Å; W424-V474 HydrophobicContact CZ2-CB 4.09Å; W424-V474 HydrophobicContact CZ2-CG1 3.5Å; W424-V474 HydrophobicContact CZ2-CG2 3.58Å; W424-F478 AromaticContact CH2-CE2 3.71Å; W424-F478 HydrophobicContact CH2-CE2 3.71Å; W424-F478 AromaticContact CH2-CZ 3.69Å; W424-F478 HydrophobicContact CH2-CZ 3.69Å; W424-F478 AromaticContact CZ2-CE2 3.7Å; W424-F478 HydrophobicContact CZ2-CE2 3.7Å; W424-F478 HydrophobicContact CZ2-CZ 4.17Å; W424-F478 HydrophobicContact CZ3-CZ 4.27Å
425G60.7Low75.5Confident44 Ų4441.1 Ų41.145%0.45422%0.22SC..THydrogen-bonded Turntrans-58.8-22.7173.300000114.1Y423Y423-G425 PolarHBondContact O-N 3.37Å
426S61.1Low75.4Confident75 Ų7543.6 Ų43.652%0.52423%0.231SC..THydrogen-bonded Turntrans-88-0.9177.674.30000114.4Y423 W424 N428Y423-S426 WeakPolarHBondContact O-CB 3.32Å; Y423-S426 PolarHBondContact O-N 3.45Å; Y423-S426 PolarHBondContact O-OG 3.02Å; W424-S426 PolarHBondContact O-N 3.17Å; W424-S426 VanDerWaalsContact O-N 3.11Å; S426-N428 PolarHBondContact O-N 2.72Å
427K61.8Low75.4Confident175 Ų17547.6 Ų47.676%0.76125%0.248SC*.THydrogen-bonded Turntrans53.932.8-175-60.7-174.1177.9-176.40114.1W424 S429W424-K427 PolarHBondContact O-N 3.18Å; K427-S429 PolarHBondContact O-N 3.43Å; K427-S429 VanDerWaalsContact O-N 3.13Å
428N64.3Low75.6Confident61 Ų6147 Ų4733%0.32625%0.246SC..  trans-75.7104.1179.5-170.1-15.5000110.8S426 A430 I431S426-N428 PolarHBondContact O-N 2.72Å; N428-A430 PolarHBondContact O-N 3.09Å; N428-A430 WeakPolarHBondContact OD1-CB 3.36Å; N428-A430 PolarHBondContact OD1-N 3.02Å; N428-I431 PolarHBondContact O-N 3.08Å
429S68Low75.8Confident75 Ų7546.5 Ų46.552%0.52424%0.243SC..Hα-helixtrans-53-16-18065.90000115.7K427 K433K427-S429 PolarHBondContact O-N 3.43Å; K427-S429 VanDerWaalsContact O-N 3.13Å; S429-K433 PolarHBondContact O-N 3.34Å
430A74.9Confident76.1Confident18 Ų1850.6 Ų50.615%0.14927%0.265CS..Hα-helixtrans-71-33.217600000112.9L383 N428 K433 L434L383-A430 HydrophobicContact CD1-CB 3.51Å; L383-A430 HydrophobicContact CD2-CB 3.95Å; L383-A430 HydrophobicContact CG-CB 4.29Å; N428-A430 PolarHBondContact O-N 3.09Å; N428-A430 WeakPolarHBondContact OD1-CB 3.36Å; N428-A430 PolarHBondContact OD1-N 3.02Å; A430-K433 PolarHBondContact O-N 3.2Å; A430-L434 WeakPolarHBondContact O-CG 3.33Å; A430-L434 PolarHBondContact O-N 3.38Å; A430-L434 VanDerWaalsContact O-N 3.16Å
431I76.6Confident76.4Confident3 Ų351 Ų512%0.01527%0.268CS..Hα-helixtrans-66.1-42.6177.5-62.5-64.2000110.1V419 C420 Y423 W424 N428 K433 L434 I435V419-I431 HydrophobicContact CG1-CD1 4.42Å; C420-I431 HydrophobicContact CB-CG2 4.47Å; Y423-I431 HydrophobicContact CG-CD1 4.21Å; Y423-I431 HydrophobicContact CG-CG1 4.41Å; W424-I431 HydrophobicContact CE3-CB 4.45Å; W424-I431 HydrophobicContact CE3-CG2 3.8Å; W424-I431 HydrophobicContact CZ3-CG2 4.1Å; N428-I431 PolarHBondContact O-N 3.08Å; I431-K433 VanDerWaalsContact C-N 3.28Å; I431-K433 PolarHBondContact O-N 3.45Å; I431-L434 WeakPolarHBondContact O-CB 3.07Å; I431-L434 PolarHBondContact O-N 3.08Å; I431-I435 HydrophobicContact CG2-CD1 3.99Å; I431-I435 HydrophobicContact CG2-CG1 4.24Å; I431-I435 WeakPolarHBondContact O-CG1 3.44Å; I431-I435 PolarHBondContact O-N 3.31Å
432D75.4Confident76.8Confident55 Ų5548.8 Ų48.829%0.29426%0.259SS..Hα-helixtrans-52-50174.6-56.818.3000110.3W424 L434 I435 F436W424-D432 HydrophobicContact CH2-CB 4.33Å; W424-D432 WeakPolarHBondContact CH2-OD1 3.27Å; W424-D432 HydrophobicContact CZ3-CB 4.35Å; W424-D432 WeakPolarHBondContact CZ3-OD1 3.26Å; D432-L434 VanDerWaalsContact C-N 3.28Å; D432-L434 PolarHBondContact O-N 3.37Å; D432-I435 PolarHBondContact O-N 3.04Å; D432-F436 HydrophobicContact CB-CD2 4.43Å; D432-F436 HydrophobicContact CB-CE2 4.26Å; D432-F436 WeakPolarHBondContact O-CD2 3.1Å; D432-F436 PolarHBondContact O-N 2.86Å
433K81.6Confident77.3Confident153 Ų15347.5 Ų47.567%0.66525%0.253SS*.Hα-helixtrans-59.7-37.6179.1-68.9178.3-179.4177.50112.7S429 A430 I431 K437S429-K433 PolarHBondContact O-N 3.34Å; A430-K433 PolarHBondContact O-N 3.2Å; I431-K433 VanDerWaalsContact C-N 3.28Å; I431-K433 PolarHBondContact O-N 3.45Å; K433-K437 WeakPolarHBondContact O-CB 3.27Å; K433-K437 PolarHBondContact O-N 3.34Å
434L85.3Confident77.9Confident13 Ų1350 Ų507%0.06827%0.272CS..Hα-helixtrans-71.2-40.9178.2-73176.3000112V386 T387 V390 F416 A430 I431 D432 F436 K437 L438V386-L434 HydrophobicContact CB-CD1 4.22Å; V386-L434 HydrophobicContact CG1-CD1 3.75Å; T387-L434 HydrophobicContact CG2-CD2 4.28Å; V390-L434 HydrophobicContact CB-CD2 4.26Å; V390-L434 HydrophobicContact CG1-CD2 4.35Å; V390-L434 HydrophobicContact CG2-CB 4.12Å; V390-L434 HydrophobicContact CG2-CD2 4.2Å; F416-L434 HydrophobicContact CE2-CB 4.49Å; A430-L434 WeakPolarHBondContact O-CG 3.33Å; A430-L434 PolarHBondContact O-N 3.38Å; A430-L434 VanDerWaalsContact O-N 3.16Å; I431-L434 WeakPolarHBondContact O-CB 3.07Å; I431-L434 PolarHBondContact O-N 3.08Å; D432-L434 VanDerWaalsContact C-N 3.28Å; D432-L434 PolarHBondContact O-N 3.37Å; L434-F436 VanDerWaalsContact C-N 3.34Å; L434-K437 WeakPolarHBondContact O-CB 3.35Å; L434-K437 PolarHBondContact O-N 3.2Å; L434-L438 PolarHBondContact O-N 3.12Å
435I82.7Confident78.5Confident0 Ų049.4 Ų49.40%027%0.271CS..Hα-helixtrans-61-45.2172.7-64.3178.4000110.1F416 C420 W424 I431 D432 K437 L438 F439 F458 L461 L465 F478F416-I435 HydrophobicContact CE1-CG1 4.24Å; F416-I435 HydrophobicContact CZ-CG1 3.9Å; C420-I435 HydrophobicContact CB-CD1 4.44Å; W424-I435 HydrophobicContact CE3-CD1 3.94Å; W424-I435 HydrophobicContact CH2-CD1 4.36Å; W424-I435 HydrophobicContact CZ3-CD1 3.49Å; W424-I435 VanDerWaalsContact CZ3-CD1 3.49Å; I431-I435 HydrophobicContact CG2-CD1 3.99Å; I431-I435 HydrophobicContact CG2-CG1 4.24Å; I431-I435 WeakPolarHBondContact O-CG1 3.44Å; I431-I435 PolarHBondContact O-N 3.31Å; D432-I435 PolarHBondContact O-N 3.04Å; I435-K437 VanDerWaalsContact C-N 3.34Å; I435-K437 PolarHBondContact O-N 3.36Å; I435-L438 PolarHBondContact O-N 2.89Å; I435-F439 VanDerWaalsContact O-CB 3.27Å; I435-F439 WeakPolarHBondContact O-CB 3.33Å; I435-F439 PolarHBondContact O-N 3.01Å; I435-F458 HydrophobicContact CG2-CE2 3.58Å; I435-F458 HydrophobicContact CG2-CZ 3.96Å; I435-L461 HydrophobicContact CD1-CD2 4.45Å; I435-L465 HydrophobicContact CD1-CD1 4.04Å; I435-F478 HydrophobicContact CD1-CZ 4.15Å; I435-F478 HydrophobicContact CG2-CE1 3.8Å; I435-F478 HydrophobicContact CG2-CZ 4.17Å
436F83.5Confident79.2Confident52 Ų5253.3 Ų53.323%0.22828%0.281CS..Hα-helixtrans-65-36.2176.4-74.2-64.4000112.8D432 L434 F439 D440 T477 C481D432-F436 HydrophobicContact CB-CD2 4.43Å; D432-F436 HydrophobicContact CB-CE2 4.26Å; D432-F436 WeakPolarHBondContact O-CD2 3.1Å; D432-F436 PolarHBondContact O-N 2.86Å; L434-F436 VanDerWaalsContact C-N 3.34Å; F436-F439 WeakPolarHBondContact O-CB 3.4Å; F436-F439 PolarHBondContact O-N 3.36Å; F436-D440 WeakPolarHBondContact O-CB 3.31Å; F436-D440 VanDerWaalsContact O-CG 3.24Å; F436-D440 PolarHBondContact O-N 3.48Å; F436-T477 HydrophobicContact CE1-CG2 3.72Å; F436-T477 HydrophobicContact CE2-CG2 3.89Å; F436-T477 HydrophobicContact CZ-CG2 3.12Å; F436-C481 WeakPolarHBondContact CE1-SG 3.36Å
437K88.1Confident79.9Confident85 Ų8551.1 Ų51.137%0.3726%0.264SS..Hα-helixtrans-60.7-47.2175-175.3179.7-175.3178.70111.8V390 D391 V394 K433 L434 I435 F439 S441V390-K437 HydrophobicContact CG1-CB 4.41Å; V390-K437 HydrophobicContact CG1-CD 4.13Å; V390-K437 HydrophobicContact CG1-CG 4.37Å; D391-K437 WeakPolarHBondContact OD1-CE 3.24Å; D391-K437 IonicContact OD1-NZ 2.69Å; D391-K437 PolarHBondContact OD1-NZ 3.38Å; D391-K437 IonicContact OD2-NZ 3.96Å; V394-K437 HydrophobicContact CG2-CG 4.5Å; K433-K437 WeakPolarHBondContact O-CB 3.27Å; K433-K437 PolarHBondContact O-N 3.34Å; L434-K437 WeakPolarHBondContact O-CB 3.35Å; L434-K437 PolarHBondContact O-N 3.2Å; I435-K437 VanDerWaalsContact C-N 3.34Å; I435-K437 PolarHBondContact O-N 3.36Å; K437-F439 VanDerWaalsContact C-N 3.33Å; K437-S441 PolarHBondContact O-N 3.49Å
438L86.4Confident80.4Confident2 Ų243.9 Ų43.91%0.0123%0.234CC..Hα-helixtrans-63.8-42.4176-177.960.5000111.1V390 L393 V394 F413 F416 L434 I435 S441 L442 F454V390-L438 HydrophobicContact CG1-CB 4.37Å; L393-L438 HydrophobicContact CB-CD1 3.74Å; L393-L438 HydrophobicContact CD1-CD2 4.14Å; V394-L438 HydrophobicContact CG2-CD1 4.12Å; F413-L438 HydrophobicContact CD2-CD2 4.44Å; F413-L438 HydrophobicContact CE2-CD2 3.78Å; F413-L438 HydrophobicContact CZ-CD2 4.31Å; F416-L438 HydrophobicContact CD1-CD2 3.97Å; F416-L438 HydrophobicContact CE1-CD2 3.81Å; L434-L438 PolarHBondContact O-N 3.12Å; I435-L438 PolarHBondContact O-N 2.89Å; L438-S441 PolarHBondContact O-N 3.37Å; L438-L442 PolarHBondContact O-N 3.27Å; L438-F454 HydrophobicContact CD1-CE1 4.35Å
439F87.2Confident80.8Confident1 Ų147 Ų470%0.00424%0.242CC..Hα-helixtrans-61.2-45.3178.4-177.7-111.3000113.1I435 F436 K437 S441 L442 L443 F458 C481 K484 L485I435-F439 VanDerWaalsContact O-CB 3.27Å; I435-F439 WeakPolarHBondContact O-CB 3.33Å; I435-F439 PolarHBondContact O-N 3.01Å; F436-F439 WeakPolarHBondContact O-CB 3.4Å; F436-F439 PolarHBondContact O-N 3.36Å; K437-F439 VanDerWaalsContact C-N 3.33Å; F439-S441 VanDerWaalsContact C-N 3.29Å; F439-S441 PolarHBondContact O-N 3.17Å; F439-L442 WeakPolarHBondContact O-CB 3.22Å; F439-L442 PolarHBondContact O-N 3.33Å; F439-L442 VanDerWaalsContact O-N 3.15Å; F439-L443 HydrophobicContact CD1-CD1 4.02Å; F439-L443 HydrophobicContact CD1-CG 4.46Å; F439-L443 HydrophobicContact CE1-CD1 3.36Å; F439-L443 HydrophobicContact CE1-CG 3.99Å; F439-L443 HydrophobicContact CE2-CD1 4.46Å; F439-L443 HydrophobicContact CE2-CD2 4.29Å; F439-L443 HydrophobicContact CE2-CG 4.25Å; F439-L443 HydrophobicContact CZ-CD1 3.61Å; F439-L443 HydrophobicContact CZ-CD2 3.95Å; F439-L443 HydrophobicContact CZ-CG 3.85Å; F439-L443 WeakPolarHBondContact O-CG 3.37Å; F439-L443 PolarHBondContact O-N 3.41Å; F439-F458 HydrophobicContact CB-CE2 3.79Å; F439-F458 HydrophobicContact CB-CZ 3.68Å; F439-F458 AromaticContact CD2-CD1 3.9Å; F439-F458 HydrophobicContact CD2-CD1 3.9Å; F439-F458 HydrophobicContact CD2-CD2 4.44Å; F439-F458 AromaticContact CD2-CE1 3.21Å; F439-F458 HydrophobicContact CD2-CE1 3.21Å; F439-F458 AromaticContact CD2-CE2 3.87Å; F439-F458 HydrophobicContact CD2-CE2 3.87Å; F439-F458 HydrophobicContact CD2-CG 4.45Å; F439-F458 AromaticContact CD2-CZ 3.23Å; F439-F458 HydrophobicContact CD2-CZ 3.23Å; F439-F458 HydrophobicContact CE2-CD1 4.2Å; F439-F458 AromaticContact CE2-CE1 3.58Å; F439-F458 HydrophobicContact CE2-CE1 3.58Å; F439-F458 HydrophobicContact CE2-CZ 4.04Å; F439-F458 HydrophobicContact CG-CE1 4.08Å; F439-F458 HydrophobicContact CG-CE2 4.22Å; F439-F458 AromaticContact CG-CZ 3.66Å; F439-F458 HydrophobicContact CG-CZ 3.66Å; F439-C481 HydrophobicContact CD1-CB 4.43Å; F439-C481 HydrophobicContact CD2-CB 4.27Å; F439-C481 HydrophobicContact CE1-CB 3.88Å; F439-C481 HydrophobicContact CE2-CB 3.7Å; F439-C481 HydrophobicContact CZ-CB 3.5Å; F439-C481 VanDerWaalsContact CZ-O 3.29Å; F439-C481 WeakPolarHBondContact CZ-O 3.48Å; F439-K484 HydrophobicContact CE1-CB 4.27Å; F439-K484 HydrophobicContact CE1-CD 3.94Å; F439-K484 HydrophobicContact CZ-CB 3.93Å; F439-K484 HydrophobicContact CZ-CD 4.42Å; F439-L485 HydrophobicContact CE2-CD1 3.82Å; F439-L485 HydrophobicContact CE2-CD2 4.33Å; F439-L485 HydrophobicContact CE2-CG 3.7Å; F439-L485 HydrophobicContact CZ-CG 4.28Å
440D87.5Confident81.1Confident85 Ų8543.5 Ų43.546%0.45522%0.217SC..Hα-helixtrans-62.4-41178.5-72.7-22.5000110.4F436 L442 L443 T444F436-D440 WeakPolarHBondContact O-CB 3.31Å; F436-D440 VanDerWaalsContact O-CG 3.24Å; F436-D440 PolarHBondContact O-N 3.48Å; D440-L442 VanDerWaalsContact C-N 3.33Å; D440-L442 PolarHBondContact O-N 3.45Å; D440-L443 PolarHBondContact O-N 3.27Å; D440-T444 PolarHBondContact O-N 2.95Å; D440-T444 VanDerWaalsContact O-N 3.16Å; D440-T444 PolarHBondContact O-OG1 3.05Å
441S87.1Confident81.4Confident9 Ų942.7 Ų42.76%0.06321%0.21CC..Hα-helixtrans-64.6-36.6174.7-1660000112.8N398 K437 L438 F439 T444 T445N398-S441 PolarHBondContact ND2-OG 3.12Å; N398-S441 VanDerWaalsContact ND2-OG 3.07Å; N398-S441 PolarHBondContact OD1-OG 2.89Å; K437-S441 PolarHBondContact O-N 3.49Å; L438-S441 PolarHBondContact O-N 3.37Å; F439-S441 VanDerWaalsContact C-N 3.29Å; F439-S441 PolarHBondContact O-N 3.17Å; S441-T444 WeakPolarHBondContact CA-OG1 3.17Å; S441-T444 PolarHBondContact O-N 3.44Å; S441-T444 PolarHBondContact O-OG1 3.18Å; S441-T445 PolarHBondContact O-N 3.01Å
442L85.5Confident81.3Confident3 Ų343.3 Ų43.32%0.01622%0.215CC..Hα-helixtrans-63-43.9174.9177.360.8000111.1L438 F439 D440 T444 T445 F451 F454 F458 L485L438-L442 PolarHBondContact O-N 3.27Å; F439-L442 WeakPolarHBondContact O-CB 3.22Å; F439-L442 PolarHBondContact O-N 3.33Å; F439-L442 VanDerWaalsContact O-N 3.15Å; D440-L442 VanDerWaalsContact C-N 3.33Å; D440-L442 PolarHBondContact O-N 3.45Å; L442-T444 VanDerWaalsContact C-N 3.28Å; L442-T444 PolarHBondContact O-N 3.09Å; L442-T445 VanDerWaalsContact O-CG2 3.31Å; L442-T445 WeakPolarHBondContact O-CG2 3.34Å; L442-T445 PolarHBondContact O-N 3.19Å; L442-F451 HydrophobicContact CD1-CD2 3.77Å; L442-F451 HydrophobicContact CD1-CE2 4.39Å; L442-F451 HydrophobicContact CG-CD2 4.09Å; L442-F451 HydrophobicContact CG-CE2 4.25Å; L442-F454 HydrophobicContact CD1-CB 3.44Å; L442-F454 VanDerWaalsContact CD1-CB 3.44Å; L442-F454 HydrophobicContact CD1-CG 4.42Å; L442-F454 HydrophobicContact CD2-CB 4.29Å; L442-F454 HydrophobicContact CG-CB 4.45Å; L442-F458 HydrophobicContact CD2-CB 4.37Å; L442-L485 HydrophobicContact CD2-CD2 3.94Å; L442-L485 HydrophobicContact CG-CD2 4.49Å
443L85.2Confident81.3Confident30 Ų3041.9 Ų41.916%0.15721%0.208CC..Hα-helixtrans-66.6-29.1178.9-69.3-178.8000113.2F439 D440 K484 L485 K488F439-L443 HydrophobicContact CD1-CD1 4.02Å; F439-L443 HydrophobicContact CD1-CG 4.46Å; F439-L443 HydrophobicContact CE1-CD1 3.36Å; F439-L443 HydrophobicContact CE1-CG 3.99Å; F439-L443 HydrophobicContact CE2-CD1 4.46Å; F439-L443 HydrophobicContact CE2-CD2 4.29Å; F439-L443 HydrophobicContact CE2-CG 4.25Å; F439-L443 HydrophobicContact CZ-CD1 3.61Å; F439-L443 HydrophobicContact CZ-CD2 3.95Å; F439-L443 HydrophobicContact CZ-CG 3.85Å; F439-L443 WeakPolarHBondContact O-CG 3.37Å; F439-L443 PolarHBondContact O-N 3.41Å; D440-L443 PolarHBondContact O-N 3.27Å; L443-K484 HydrophobicContact CD1-CB 3.9Å; L443-K484 HydrophobicContact CD1-CD 3.91Å; L443-K484 HydrophobicContact CD1-CG 4.46Å; L443-K484 HydrophobicContact CD2-CB 4.21Å; L443-L485 HydrophobicContact CD2-CD2 4.45Å; L443-K488 HydrophobicContact CD2-CB 4.02Å; L443-K488 HydrophobicContact CD2-CG 4.4Å; L443-K488 WeakPolarHBondContact O-CD 3.48Å; L443-K488 WeakPolarHBondContact O-CE 3.33Å; L443-K488 PolarHBondContact O-NZ 3.01Å
444T84.6Confident81.3Confident91 Ų9134.8 Ų34.856%0.55818%0.177SC*.Hα-helixtrans-83.1-11.7177.453.80000113.6D440 S441 L442D440-T444 PolarHBondContact O-N 2.95Å; D440-T444 VanDerWaalsContact O-N 3.16Å; D440-T444 PolarHBondContact O-OG1 3.05Å; S441-T444 WeakPolarHBondContact CA-OG1 3.17Å; S441-T444 PolarHBondContact O-N 3.44Å; S441-T444 PolarHBondContact O-OG1 3.18Å; L442-T444 VanDerWaalsContact C-N 3.28Å; L442-T444 PolarHBondContact O-N 3.09Å
445T81.6Confident81.2Confident7 Ų734.1 Ų34.14%0.04317%0.174CC..  trans-67.8138.7-179.3-155.50000111.5C397 S441 L442 F451 K488 Q492C397-T445 WeakPolarHBondContact O-CB 3.32Å; C397-T445 PolarHBondContact O-OG1 2.89Å; S441-T445 PolarHBondContact O-N 3.01Å; L442-T445 VanDerWaalsContact O-CG2 3.31Å; L442-T445 WeakPolarHBondContact O-CG2 3.34Å; L442-T445 PolarHBondContact O-N 3.19Å; T445-F451 HydrophobicContact CG2-CB 3.56Å; T445-F451 HydrophobicContact CG2-CD2 4.09Å; T445-F451 HydrophobicContact CG2-CG 4.29Å; T445-K488 VanDerWaalsContact O-CE 3.3Å; T445-K488 WeakPolarHBondContact O-CE 3.25Å; T445-K488 PolarHBondContact O-NZ 2.93Å; T445-Q492 PolarHBondContact O-NE2 2.94Å
446D75.4Confident81.2Confident126 Ų12637.1 Ų37.167%0.67419%0.187SC*.  trans-101.3-7.9175.8-72.1-31.7000112.2P448 K488D446-P448 WeakPolarHBondContact O-CD 3.14Å; D446-K488 IonicContact OD1-NZ 2.91Å
447N75.3Confident81Confident29 Ų2936.4 Ų36.416%0.15519%0.185CC..  trans-81.9110.1176.7-174.5-33.2000110R449 I450 F451N447-R449 VanDerWaalsContact C-N 3.27Å; N447-R449 PolarHBondContact O-N 2.83Å; N447-R449 PolarHBondContact OD1-N 3.04Å; N447-R449 VanDerWaalsContact OD1-N 3.1Å; N447-I450 HydrophobicContact CB-CB 4.04Å; N447-I450 HydrophobicContact CB-CD1 3.92Å; N447-I450 HydrophobicContact CB-CG1 4.02Å; N447-I450 WeakPolarHBondContact ND2-CD1 3.37Å; N447-I450 PolarHBondContact O-N 2.96Å; N447-I450 PolarHBondContact OD1-N 3.2Å; N447-F451 WeakPolarHBondContact O-CB 3.26Å; N447-F451 PolarHBondContact O-N 2.97Å
448P72.1Confident80.8Confident23 Ų2332.5 Ų32.515%0.14917%0.167CC..Hα-helixtrans-64.7-29.9-173.7-20.833.8000113.4D446 S452 N505 L509D446-P448 WeakPolarHBondContact O-CD 3.14Å; P448-S452 WeakPolarHBondContact O-CB 3.19Å; P448-S452 PolarHBondContact O-N 3.21Å; P448-S452 PolarHBondContact O-OG 3.35Å; P448-N505 HydrophobicContact CB-CB 4.44Å; P448-L509 HydrophobicContact CB-CD1 4.36Å
449R72.3Confident80.6Confident127 Ų12732.6 Ų32.648%0.47917%0.168SC..Hα-helixtrans-75.1-41.6179.9-66.5-178.1179179.5-3.4112.1P404 N447 F451 S452 T453P404-R449 HydrophobicContact CB-CB 3.87Å; P404-R449 HydrophobicContact CG-CB 3.64Å; P404-R449 HydrophobicContact CG-CG 4.32Å; N447-R449 VanDerWaalsContact C-N 3.27Å; N447-R449 PolarHBondContact O-N 2.83Å; N447-R449 PolarHBondContact OD1-N 3.04Å; N447-R449 VanDerWaalsContact OD1-N 3.1Å; R449-F451 VanDerWaalsContact C-N 3.33Å; R449-S452 PolarHBondContact O-OG 3.07Å; R449-T453 WeakPolarHBondContact O-CB 3.34Å; R449-T453 PolarHBondContact O-N 3.42Å; R449-T453 PolarHBondContact O-OG1 2.77Å
450I75.2Confident80.2Confident2 Ų237.4 Ų37.41%0.0119%0.19CC..Hα-helixtrans-64.2-46.6173.4-64.3179.6000108.5P404 N447 T453 F454P404-I450 HydrophobicContact CB-CG1 3.77Å; N447-I450 HydrophobicContact CB-CB 4.04Å; N447-I450 HydrophobicContact CB-CD1 3.92Å; N447-I450 HydrophobicContact CB-CG1 4.02Å; N447-I450 WeakPolarHBondContact ND2-CD1 3.37Å; N447-I450 PolarHBondContact O-N 2.96Å; N447-I450 PolarHBondContact OD1-N 3.2Å; I450-T453 PolarHBondContact O-N 2.84Å; I450-F454 HydrophobicContact CG2-CD2 3.76Å; I450-F454 HydrophobicContact CG2-CE2 3.95Å; I450-F454 WeakPolarHBondContact O-CB 3.34Å; I450-F454 WeakPolarHBondContact O-CD2 3.28Å; I450-F454 PolarHBondContact O-N 3.1Å
451F80.4Confident79.8Confident0 Ų033.4 Ų33.40%017%0.169CC..Hα-helixtrans-55.9-54.1177.2178.9-103.4000112.3L442 T445 N447 R449 T453 S455 L485 K488 V489 L509L442-F451 HydrophobicContact CD1-CD2 3.77Å; L442-F451 HydrophobicContact CD1-CE2 4.39Å; L442-F451 HydrophobicContact CG-CD2 4.09Å; L442-F451 HydrophobicContact CG-CE2 4.25Å; T445-F451 HydrophobicContact CG2-CB 3.56Å; T445-F451 HydrophobicContact CG2-CD2 4.09Å; T445-F451 HydrophobicContact CG2-CG 4.29Å; N447-F451 WeakPolarHBondContact O-CB 3.26Å; N447-F451 PolarHBondContact O-N 2.97Å; R449-F451 VanDerWaalsContact C-N 3.33Å; F451-T453 VanDerWaalsContact C-N 3.34Å; F451-T453 PolarHBondContact O-N 3.45Å; F451-S455 WeakPolarHBondContact O-CB 3.23Å; F451-S455 PolarHBondContact O-N 2.82Å; F451-S455 PolarHBondContact O-OG 2.93Å; F451-L485 HydrophobicContact CE2-CD2 3.75Å; F451-L485 HydrophobicContact CZ-CD2 3.77Å; F451-K488 HydrophobicContact CD2-CG 4.17Å; F451-K488 HydrophobicContact CE1-CG 4.37Å; F451-K488 HydrophobicContact CE2-CB 4.11Å; F451-K488 HydrophobicContact CE2-CG 3.45Å; F451-K488 VanDerWaalsContact CE2-CG 3.45Å; F451-K488 HydrophobicContact CZ-CB 3.9Å; F451-K488 HydrophobicContact CZ-CG 3.57Å; F451-V489 HydrophobicContact CE1-CB 4.49Å; F451-V489 HydrophobicContact CE1-CG2 3.58Å; F451-V489 HydrophobicContact CZ-CG2 3.99Å; F451-L509 HydrophobicContact CD1-CD2 3.51Å; F451-L509 HydrophobicContact CE1-CD2 3.89Å
452S76Confident79.3Confident17 Ų1733.3 Ų33.312%0.11917%0.168CC..Hα-helixtrans-60-46.6-175.763.10000111.6P448 R449 S455 F456P448-S452 WeakPolarHBondContact O-CB 3.19Å; P448-S452 PolarHBondContact O-N 3.21Å; P448-S452 PolarHBondContact O-OG 3.35Å; R449-S452 PolarHBondContact O-OG 3.07Å; S452-S455 WeakPolarHBondContact O-CB 3.42Å; S452-S455 PolarHBondContact O-N 3.27Å; S452-F456 WeakPolarHBondContact O-CD2 3.26Å; S452-F456 PolarHBondContact O-N 3.42Å; S452-F456 VanDerWaalsContact O-N 3.11Å
453T75.5Confident78.7Confident24 Ų2436.8 Ų36.815%0.14718%0.184CC..Hα-helixtrans-66.2-50.3-177.5-48.30000112.3M405 Y410 R449 I450 F451 S455 F456 H457M405-T453 VanDerWaalsContact CE-CB 3.42Å; M405-T453 HydrophobicContact CE-CG2 3.25Å; M405-T453 HydrophobicContact CG-CG2 3.89Å; M405-T453 HydrophobicContact SD-CG2 3.52Å; M405-T453 VanDerWaalsContact SD-CG2 3.52Å; Y410-T453 HydrophobicContact CE1-CG2 3.46Å; Y410-T453 VanDerWaalsContact CE1-CG2 3.46Å; Y410-T453 WeakPolarHBondContact OH-CG2 3.43Å; R449-T453 WeakPolarHBondContact O-CB 3.34Å; R449-T453 PolarHBondContact O-N 3.42Å; R449-T453 PolarHBondContact O-OG1 2.77Å; I450-T453 PolarHBondContact O-N 2.84Å; F451-T453 VanDerWaalsContact C-N 3.34Å; F451-T453 PolarHBondContact O-N 3.45Å; T453-S455 PolarHBondContact O-N 3.41Å; T453-F456 PolarHBondContact O-N 2.98Å; T453-H457 PolarHBondContact O-CD2 3.4Å; T453-H457 VanDerWaalsContact O-CD2 3.29Å; T453-H457 PolarHBondContact O-N 3.12Å
454F80.2Confident78.2Confident4 Ų438.2 Ų38.22%0.01819%0.189CC..Hα-helixtrans-63.6-33.1177.7-88.6-103.1000111.5L393 C397 M405 I409 F413 L438 L442 I450 H457 F458L393-F454 HydrophobicContact CB-CE1 4.47Å; L393-F454 HydrophobicContact CD2-CE1 4.07Å; L393-F454 HydrophobicContact CD2-CZ 4.27Å; C397-F454 VanDerWaalsContact SG-CD1 3.56Å; C397-F454 WeakPolarHBondContact SG-CE1 3.25Å; M405-F454 HydrophobicContact CE-CD2 3.48Å; M405-F454 VanDerWaalsContact CE-CD2 3.48Å; M405-F454 HydrophobicContact CE-CE2 3.45Å; M405-F454 VanDerWaalsContact CE-CE2 3.45Å; I409-F454 HydrophobicContact CG2-CE2 3.82Å; I409-F454 HydrophobicContact CG2-CZ 3.67Å; F413-F454 AromaticContact CD2-CD1 3.86Å; F413-F454 HydrophobicContact CD2-CD1 3.86Å; F413-F454 AromaticContact CD2-CE1 3.93Å; F413-F454 HydrophobicContact CD2-CE1 3.93Å; F413-F454 AromaticContact CE2-CD1 3.82Å; F413-F454 HydrophobicContact CE2-CD1 3.82Å; F413-F454 HydrophobicContact CE2-CE1 4.29Å; L438-F454 HydrophobicContact CD1-CE1 4.35Å; L442-F454 HydrophobicContact CD1-CB 3.44Å; L442-F454 VanDerWaalsContact CD1-CB 3.44Å; L442-F454 HydrophobicContact CD1-CG 4.42Å; L442-F454 HydrophobicContact CD2-CB 4.29Å; L442-F454 HydrophobicContact CG-CB 4.45Å; I450-F454 HydrophobicContact CG2-CD2 3.76Å; I450-F454 HydrophobicContact CG2-CE2 3.95Å; I450-F454 WeakPolarHBondContact O-CB 3.34Å; I450-F454 WeakPolarHBondContact O-CD2 3.28Å; I450-F454 PolarHBondContact O-N 3.1Å; F454-H457 PolarHBondContact O-N 2.85Å; F454-F458 VanDerWaalsContact O-CB 3.23Å; F454-F458 WeakPolarHBondContact O-CB 3.1Å; F454-F458 PolarHBondContact O-N 3.29Å
455S83.7Confident77.6Confident0 Ų033.9 Ų33.90%016%0.163CC..Hα-helixtrans-61.5-43.8175.3-620000111.7F451 S452 T453 F458 I459 L485F451-S455 WeakPolarHBondContact O-CB 3.23Å; F451-S455 PolarHBondContact O-N 2.82Å; F451-S455 PolarHBondContact O-OG 2.93Å; S452-S455 WeakPolarHBondContact O-CB 3.42Å; S452-S455 PolarHBondContact O-N 3.27Å; T453-S455 PolarHBondContact O-N 3.41Å; S455-F458 PolarHBondContact O-N 3.49Å; S455-I459 WeakPolarHBondContact O-CB 3.33Å; S455-I459 WeakPolarHBondContact O-CD1 3.36Å; S455-I459 WeakPolarHBondContact O-CG1 3.47Å; S455-I459 PolarHBondContact O-N 3.4Å; S455-L485 VanDerWaalsContact OG-CD2 3.3Å; S455-L485 WeakPolarHBondContact OG-CD2 3.48Å
456F81.8Confident76.9Confident62 Ų6234.2 Ų34.227%0.27217%0.165SC..Hα-helixtrans-59.1-50.6176.2-82.1-65.6000112.3S452 T453 F458 I459 H460 D511 V512 A515S452-F456 WeakPolarHBondContact O-CD2 3.26Å; S452-F456 PolarHBondContact O-N 3.42Å; S452-F456 VanDerWaalsContact O-N 3.11Å; T453-F456 PolarHBondContact O-N 2.98Å; F456-F458 VanDerWaalsContact C-N 3.28Å; F456-F458 PolarHBondContact O-N 3.4Å; F456-I459 PolarHBondContact O-N 3.3Å; F456-H460 PolarHBondContact O-CD2 3.47Å; F456-H460 PolarHBondContact O-N 3.36Å; F456-D511 HydrophobicContact CE2-CB 4.32Å; F456-D511 HydrophobicContact CZ-CB 3.6Å; F456-V512 HydrophobicContact CD2-CG2 3.82Å; F456-V512 HydrophobicContact CE1-CG2 4.3Å; F456-V512 HydrophobicContact CE2-CG2 3.42Å; F456-V512 VanDerWaalsContact CE2-CG2 3.42Å; F456-V512 HydrophobicContact CG-CG2 4.4Å; F456-V512 HydrophobicContact CZ-CB 4.42Å; F456-V512 HydrophobicContact CZ-CG2 3.67Å; F456-A515 HydrophobicContact CE1-CB 3.93Å
457H80.9Confident76.4Confident38 Ų3832.3 Ų32.318%0.17616%0.162CC..Hα-helixtrans-62.3-38.9179.2-74.2-77.2000112.2Y410 F413 T453 F454 H460 L461Y410-H457 AromaticContact CD1-CE1 3.82Å; Y410-H457 AromaticContact CD1-NE2 3.18Å; Y410-H457 WeakPolarHBondContact CD1-NE2 3.24Å; Y410-H457 AromaticContact CE1-NE2 3.22Å; Y410-H457 WeakPolarHBondContact CE1-NE2 3.31Å; F413-H457 HydrophobicContact CD1-CB 3.51Å; F413-H457 HydrophobicContact CD2-CB 4.12Å; F413-H457 HydrophobicContact CE1-CB 3.35Å; F413-H457 HydrophobicContact CE2-CB 3.94Å; F413-H457 HydrophobicContact CG-CB 3.92Å; F413-H457 HydrophobicContact CZ-CB 3.56Å; T453-H457 PolarHBondContact O-CD2 3.4Å; T453-H457 VanDerWaalsContact O-CD2 3.29Å; T453-H457 PolarHBondContact O-N 3.12Å; F454-H457 PolarHBondContact O-N 2.85Å; H457-H460 PolarHBondContact O-N 3.05Å; H457-L461 WeakPolarHBondContact O-CB 3.38Å; H457-L461 PolarHBondContact O-N 2.85Å
458F82.9Confident76Confident2 Ų236.7 Ų36.71%0.00918%0.18CC..Hα-helixtrans-65.7-39.8175.5-169.6-95.5000112.5F413 I435 F439 L442 F454 S455 F456 L461 I462 C481 L485F413-F458 HydrophobicContact CZ-CB 4.38Å; I435-F458 HydrophobicContact CG2-CE2 3.58Å; I435-F458 HydrophobicContact CG2-CZ 3.96Å; F439-F458 HydrophobicContact CB-CE2 3.79Å; F439-F458 HydrophobicContact CB-CZ 3.68Å; F439-F458 AromaticContact CD2-CD1 3.9Å; F439-F458 HydrophobicContact CD2-CD1 3.9Å; F439-F458 HydrophobicContact CD2-CD2 4.44Å; F439-F458 AromaticContact CD2-CE1 3.21Å; F439-F458 HydrophobicContact CD2-CE1 3.21Å; F439-F458 AromaticContact CD2-CE2 3.87Å; F439-F458 HydrophobicContact CD2-CE2 3.87Å; F439-F458 HydrophobicContact CD2-CG 4.45Å; F439-F458 AromaticContact CD2-CZ 3.23Å; F439-F458 HydrophobicContact CD2-CZ 3.23Å; F439-F458 HydrophobicContact CE2-CD1 4.2Å; F439-F458 AromaticContact CE2-CE1 3.58Å; F439-F458 HydrophobicContact CE2-CE1 3.58Å; F439-F458 HydrophobicContact CE2-CZ 4.04Å; F439-F458 HydrophobicContact CG-CE1 4.08Å; F439-F458 HydrophobicContact CG-CE2 4.22Å; F439-F458 AromaticContact CG-CZ 3.66Å; F439-F458 HydrophobicContact CG-CZ 3.66Å; L442-F458 HydrophobicContact CD2-CB 4.37Å; F454-F458 VanDerWaalsContact O-CB 3.23Å; F454-F458 WeakPolarHBondContact O-CB 3.1Å; F454-F458 PolarHBondContact O-N 3.29Å; S455-F458 PolarHBondContact O-N 3.49Å; F456-F458 VanDerWaalsContact C-N 3.28Å; F456-F458 PolarHBondContact O-N 3.4Å; F458-L461 PolarHBondContact O-N 3.4Å; F458-I462 HydrophobicContact CD1-CD1 3.59Å; F458-I462 HydrophobicContact CD1-CG1 4.26Å; F458-I462 HydrophobicContact CE1-CD1 3.19Å; F458-I462 HydrophobicContact CE1-CG1 4.01Å; F458-I462 HydrophobicContact CZ-CD1 3.97Å; F458-I462 HydrophobicContact CZ-CG1 4.46Å; F458-I462 WeakPolarHBondContact O-CG1 3.33Å; F458-I462 PolarHBondContact O-N 3.34Å; F458-C481 HydrophobicContact CE1-CB 3.93Å; F458-C481 HydrophobicContact CZ-CB 4.41Å; F458-L485 HydrophobicContact CD1-CD1 3.86Å; F458-L485 HydrophobicContact CE1-CD1 4.29Å
459I82Confident75.5Confident4 Ų438.5 Ų38.52%0.02118%0.184CC..Hα-helixtrans-62.7-44.3174.7-70.7161.1000110.6S455 F456 I462 Q463 L482 L485 V512 A515 I516 I519S455-I459 WeakPolarHBondContact O-CB 3.33Å; S455-I459 WeakPolarHBondContact O-CD1 3.36Å; S455-I459 WeakPolarHBondContact O-CG1 3.47Å; S455-I459 PolarHBondContact O-N 3.4Å; F456-I459 PolarHBondContact O-N 3.3Å; I459-I462 PolarHBondContact O-N 2.7Å; I459-Q463 WeakPolarHBondContact O-CG 3.36Å; I459-Q463 PolarHBondContact O-N 3.14Å; I459-L482 HydrophobicContact CG1-CD2 3.99Å; I459-L485 HydrophobicContact CG1-CD1 4.43Å; I459-V512 HydrophobicContact CD1-CG1 4.07Å; I459-A515 HydrophobicContact CD1-CB 4.49Å; I459-I516 HydrophobicContact CD1-CD1 4.14Å; I459-I516 HydrophobicContact CD1-CG1 3.58Å; I459-I516 HydrophobicContact CG1-CG1 4.21Å; I459-I519 HydrophobicContact CG2-CD1 3.43Å; I459-I519 VanDerWaalsContact CG2-CD1 3.43Å
460H80Confident74.8Confident103 Ų10339 Ų3948%0.47720%0.196SC..Hα-helixtrans-60.8-47.7176.1-84.9-73.5000111.8F456 H457 I462 Q463 E464F456-H460 PolarHBondContact O-CD2 3.47Å; F456-H460 PolarHBondContact O-N 3.36Å; H457-H460 PolarHBondContact O-N 3.05Å; H460-I462 VanDerWaalsContact C-N 3.32Å; H460-I462 PolarHBondContact O-N 2.97Å; H460-Q463 PolarHBondContact O-N 3.29Å; H460-E464 WeakPolarHBondContact O-CB 3.31Å; H460-E464 PolarHBondContact O-N 2.57Å
461L79Confident73.9Confident1 Ų141 Ų411%0.00521%0.209CC..Hα-helixtrans-54.1-48.3174.6174.765.4000111.3F416 E417 C420 I435 H457 F458 E464 L465F416-L461 HydrophobicContact CE1-CD2 4.37Å; E417-L461 HydrophobicContact CB-CD1 4.17Å; E417-L461 HydrophobicContact CG-CD1 3.84Å; C420-L461 HydrophobicContact CB-CD1 3.72Å; I435-L461 HydrophobicContact CD1-CD2 4.45Å; H457-L461 WeakPolarHBondContact O-CB 3.38Å; H457-L461 PolarHBondContact O-N 2.85Å; F458-L461 PolarHBondContact O-N 3.4Å; L461-E464 PolarHBondContact O-N 2.71Å; L461-L465 HydrophobicContact CD1-CD1 3.73Å; L461-L465 HydrophobicContact CD1-CG 3.99Å; L461-L465 HydrophobicContact CG-CD1 3.97Å; L461-L465 WeakPolarHBondContact O-CB 3.43Å; L461-L465 VanDerWaalsContact O-CG 3.24Å; L461-L465 WeakPolarHBondContact O-CG 3.2Å; L461-L465 PolarHBondContact O-N 3.44Å
462I75.9Confident72.6Confident7 Ų746.1 Ų46.14%0.03624%0.236CC..Hα-helixtrans-59.9-51.7178-72.7176.1000111.2F458 I459 H460 E464 L465 S466 F478 C481 L482F458-I462 HydrophobicContact CD1-CD1 3.59Å; F458-I462 HydrophobicContact CD1-CG1 4.26Å; F458-I462 HydrophobicContact CE1-CD1 3.19Å; F458-I462 HydrophobicContact CE1-CG1 4.01Å; F458-I462 HydrophobicContact CZ-CD1 3.97Å; F458-I462 HydrophobicContact CZ-CG1 4.46Å; F458-I462 WeakPolarHBondContact O-CG1 3.33Å; F458-I462 PolarHBondContact O-N 3.34Å; I459-I462 PolarHBondContact O-N 2.7Å; H460-I462 VanDerWaalsContact C-N 3.32Å; H460-I462 PolarHBondContact O-N 2.97Å; I462-E464 VanDerWaalsContact C-N 3.27Å; I462-E464 PolarHBondContact O-N 3.46Å; I462-L465 PolarHBondContact O-N 3.17Å; I462-S466 WeakPolarHBondContact O-CB 3.23Å; I462-S466 PolarHBondContact O-N 3.41Å; I462-S466 PolarHBondContact O-OG 2.94Å; I462-F478 HydrophobicContact CD1-CB 4.08Å; I462-F478 HydrophobicContact CD1-CD1 3.61Å; I462-F478 HydrophobicContact CD1-CE1 4.35Å; I462-F478 HydrophobicContact CD1-CG 4.09Å; I462-F478 HydrophobicContact CG1-CB 4.21Å; I462-F478 HydrophobicContact CG1-CD1 3.53Å; I462-F478 HydrophobicContact CG1-CE1 3.95Å; I462-F478 HydrophobicContact CG1-CG 3.87Å; I462-F478 HydrophobicContact CG2-CB 3.71Å; I462-F478 HydrophobicContact CG2-CD2 4.45Å; I462-F478 HydrophobicContact CG2-CG 4.03Å; I462-C481 HydrophobicContact CD1-CB 4.17Å; I462-L482 HydrophobicContact CD1-CD2 4.37Å; I462-L482 HydrophobicContact CD1-CG 4.43Å
463Q73.5Confident71.7Confident75 Ų7550.7 Ų50.735%0.3526%0.259SS..Hα-helixtrans-57.9-42.7-178.2-78.8-175.2-11.300111.6I459 H460 S466 S467 I519I459-Q463 WeakPolarHBondContact O-CG 3.36Å; I459-Q463 PolarHBondContact O-N 3.14Å; H460-Q463 PolarHBondContact O-N 3.29Å; Q463-S466 PolarHBondContact O-N 3.2Å; Q463-S466 PolarHBondContact O-OG 2.97Å; Q463-S467 WeakPolarHBondContact O-CB 3.46Å; Q463-S467 PolarHBondContact O-N 3.11Å; Q463-S467 PolarHBondContact O-OG 3.26Å; Q463-I519 HydrophobicContact CG-CD1 3.78Å; Q463-I519 HydrophobicContact CG-CG1 4.31Å
464E73.4Confident70.8Confident60 Ų6050.4 Ų50.428%0.2826%0.258SS..Hα-helixtrans-70.1-48.8-176.9-170.1164.3164.500111.6R421 H460 L461 I462 S466 S467 K468R421-E464 IonicContact CZ-OE1 3.44Å; R421-E464 IonicContact CZ-OE2 2.7Å; R421-E464 VanDerWaalsContact CZ-OE2 3.25Å; R421-E464 IonicContact NE-OE1 2.71Å; R421-E464 PolarHBondContact NE-OE1 3.29Å; R421-E464 IonicContact NE-OE2 3.53Å; R421-E464 PolarHBondContact NE-OE2 3.1Å; R421-E464 IonicContact NH1-OE1 3.34Å; R421-E464 IonicContact NH2-OE1 3.43Å; R421-E464 PolarHBondContact NH2-OE1 2.96Å; R421-E464 IonicContact NH2-OE2 3.85Å; R421-E464 PolarHBondContact NH2-OE2 3.37Å; H460-E464 WeakPolarHBondContact O-CB 3.31Å; H460-E464 PolarHBondContact O-N 2.57Å; L461-E464 PolarHBondContact O-N 2.71Å; I462-E464 VanDerWaalsContact C-N 3.27Å; I462-E464 PolarHBondContact O-N 3.46Å; E464-S466 PolarHBondContact O-N 3.02Å; E464-S467 PolarHBondContact O-N 2.89Å; E464-S467 PolarHBondContact O-OG 3.29Å; E464-K468 WeakPolarHBondContact O-CB 3.48Å; E464-K468 PolarHBondContact O-N 2.84Å
465L72.1Confident69.6Low1 Ų151.1 Ų51.11%0.00526%0.26CS..Hα-helixtrans-58.3-39.6175.5-68.7178.3000111.4C420 W424 I435 L461 I462 Y469 F478C420-L465 HydrophobicContact CB-CD1 4.38Å; W424-L465 HydrophobicContact CB-CD2 3.81Å; W424-L465 HydrophobicContact CD2-CD1 4.19Å; W424-L465 HydrophobicContact CD2-CD2 4.38Å; W424-L465 HydrophobicContact CE3-CD1 4.17Å; W424-L465 HydrophobicContact CG-CD2 3.92Å; I435-L465 HydrophobicContact CD1-CD1 4.04Å; L461-L465 HydrophobicContact CD1-CD1 3.73Å; L461-L465 HydrophobicContact CD1-CG 3.99Å; L461-L465 HydrophobicContact CG-CD1 3.97Å; L461-L465 WeakPolarHBondContact O-CB 3.43Å; L461-L465 VanDerWaalsContact O-CG 3.24Å; L461-L465 WeakPolarHBondContact O-CG 3.2Å; L461-L465 PolarHBondContact O-N 3.44Å; I462-L465 PolarHBondContact O-N 3.17Å; L465-Y469 HydrophobicContact CD2-CD2 4.42Å; L465-Y469 HydrophobicContact CD2-CE2 4.09Å; L465-Y469 WeakPolarHBondContact O-CD2 3.33Å; L465-Y469 PolarHBondContact O-N 2.97Å; L465-F478 HydrophobicContact CD1-CE2 4.46Å; L465-F478 HydrophobicContact CD1-CZ 4.41Å
466S68Low68.6Low13 Ų1357.6 Ų57.69%0.09129%0.285CS..Hα-helixtrans-69.4-38.6-179.983.70000112.3I462 Q463 E464 Y475I462-S466 WeakPolarHBondContact O-CB 3.23Å; I462-S466 PolarHBondContact O-N 3.41Å; I462-S466 PolarHBondContact O-OG 2.94Å; Q463-S466 PolarHBondContact O-N 3.2Å; Q463-S466 PolarHBondContact O-OG 2.97Å; E464-S466 PolarHBondContact O-N 3.02Å; S466-Y475 VanDerWaalsContact C-OH 3.24Å; S466-Y475 VanDerWaalsContact CB-CE1 3.43Å; S466-Y475 VanDerWaalsContact CB-CZ 3.43Å; S466-Y475 WeakPolarHBondContact O-CE2 3.46Å; S466-Y475 PolarHBondContact O-OH 3.22Å; S466-Y475 PolarHBondContact OG-OH 3.32Å
467S65.1Low67.9Low86 Ų8658 Ų5860%0.60129%0.292SS*.Hα-helixtrans-68.4-39.3178.274.30000112.8Q463 E464Q463-S467 WeakPolarHBondContact O-CB 3.46Å; Q463-S467 PolarHBondContact O-N 3.11Å; Q463-S467 PolarHBondContact O-OG 3.26Å; E464-S467 PolarHBondContact O-N 2.89Å; E464-S467 PolarHBondContact O-OG 3.29Å
468K65.5Low67.5Low122 Ų12256.4 Ų56.453%0.5329%0.285SS..Hα-helixtrans-80.6-32.7-170.5-163.2171.1-174.6175.10113.3E464E464-K468 WeakPolarHBondContact O-CB 3.48Å; E464-K468 PolarHBondContact O-N 2.84Å
469Y61.6Low67Low61 Ų6156.7 Ų56.724%0.23929%0.286CS..Hα-helixtrans-109.3-6.5-170.2-64.1-70.3000115.6R421 W424 L465 C471R421-Y469 PolarHBondContact O-OH 3.26Å; W424-Y469 HydrophobicContact CB-CD2 4.38Å; W424-Y469 HydrophobicContact CB-CE2 3.99Å; W424-Y469 AromaticContact CD1-CD2 3.4Å; W424-Y469 VanDerWaalsContact CD1-CD2 3.4Å; W424-Y469 AromaticContact CD1-CE2 3.91Å; W424-Y469 AromaticContact CD1-CG 3.8Å; W424-Y469 HydrophobicContact CG-CD2 4.18Å; W424-Y469 HydrophobicContact CG-CE2 4.28Å; L465-Y469 HydrophobicContact CD2-CD2 4.42Å; L465-Y469 HydrophobicContact CD2-CE2 4.09Å; L465-Y469 WeakPolarHBondContact O-CD2 3.33Å; L465-Y469 PolarHBondContact O-N 2.97Å; Y469-C471 PolarHBondContact O-N 3.22Å; Y469-C471 PolarHBondContact O-SG 2.85Å
470N59.2Low66.8Low138 Ų13857.9 Ų57.974%0.73829%0.294SS*.  trans43.631.8177.5-157.123.7000114.9
471C56.1Low66.7Low42 Ų4253.1 Ų53.128%0.28427%0.272SS..  trans-95111.1-173.8-77.70000110Y469 D473 V474 Y475Y469-C471 PolarHBondContact O-N 3.22Å; Y469-C471 PolarHBondContact O-SG 2.85Å; C471-D473 PolarHBondContact O-N 2.79Å; C471-V474 HydrophobicContact CB-CB 3.97Å; C471-V474 HydrophobicContact CB-CG2 3.42Å; C471-V474 VanDerWaalsContact CB-CG2 3.42Å; C471-V474 VanDerWaalsContact O-CB 3.26Å; C471-V474 WeakPolarHBondContact O-CB 3.47Å; C471-V474 PolarHBondContact O-N 2.94Å; C471-Y475 WeakPolarHBondContact O-CD2 3.44Å; C471-Y475 PolarHBondContact O-N 3.1Å
472L53.3Low66.9Low108 Ų10853.1 Ų53.157%0.56527%0.272SS*.Hα-helixtrans-52.3-37.6179.2-87.7154000114.1V474 Y475 R476 L528L472-V474 VanDerWaalsContact C-N 3.32Å; L472-Y475 WeakPolarHBondContact O-CB 3.1Å; L472-Y475 PolarHBondContact O-N 3.44Å; L472-R476 PolarHBondContact O-N 2.89Å; L472-R476 VanDerWaalsContact O-N 3.08Å; L472-L528 HydrophobicContact CD2-CD1 4.26Å; L472-L528 HydrophobicContact CD2-CD2 3.38Å; L472-L528 HydrophobicContact CD2-CG 4.42Å
473D55.5Low67.2Low113 Ų11352.9 Ų52.960%0.60427%0.27SS*.Hα-helixtrans-70.1-31.8179.6-67.5-38.8000112.7C471 R476 T477C471-D473 PolarHBondContact O-N 2.79Å; D473-R476 PolarHBondContact O-N 3.19Å; D473-R476 IonicContact OD1-NH1 2.77Å; D473-T477 PolarHBondContact O-N 3.4Å; D473-T477 PolarHBondContact O-OG1 3.16Å
474V56.3Low67.8Low19 Ų1953.3 Ų53.312%0.11527%0.271CS..Hα-helixtrans-66.2-44.8175.1176.40000109.7W424 C471 L472 R476 F478W424-V474 HydrophobicContact CZ2-CB 4.09Å; W424-V474 HydrophobicContact CZ2-CG1 3.5Å; W424-V474 HydrophobicContact CZ2-CG2 3.58Å; C471-V474 HydrophobicContact CB-CB 3.97Å; C471-V474 HydrophobicContact CB-CG2 3.42Å; C471-V474 VanDerWaalsContact CB-CG2 3.42Å; C471-V474 VanDerWaalsContact O-CB 3.26Å; C471-V474 WeakPolarHBondContact O-CB 3.47Å; C471-V474 PolarHBondContact O-N 2.94Å; L472-V474 VanDerWaalsContact C-N 3.32Å; V474-R476 PolarHBondContact O-N 3.04Å; V474-F478 HydrophobicContact CG1-CD2 3.42Å; V474-F478 VanDerWaalsContact CG1-CD2 3.42Å; V474-F478 HydrophobicContact CG1-CE2 3.43Å; V474-F478 VanDerWaalsContact CG1-CE2 3.43Å; V474-F478 WeakPolarHBondContact O-CB 3.34Å; V474-F478 WeakPolarHBondContact O-CD2 3.39Å; V474-F478 PolarHBondContact O-N 2.92Å; V474-F478 VanDerWaalsContact O-N 3.12Å
475Y56.5Low68.4Low18 Ų1850.4 Ų50.47%0.07126%0.258CS..Hα-helixtrans-56.6-48.2172.8-82.6-74.4000111.7S466 C471 L472 T477 F478 W479 Y525 L528S466-Y475 VanDerWaalsContact C-OH 3.24Å; S466-Y475 VanDerWaalsContact CB-CE1 3.43Å; S466-Y475 VanDerWaalsContact CB-CZ 3.43Å; S466-Y475 WeakPolarHBondContact O-CE2 3.46Å; S466-Y475 PolarHBondContact O-OH 3.22Å; S466-Y475 PolarHBondContact OG-OH 3.32Å; C471-Y475 WeakPolarHBondContact O-CD2 3.44Å; C471-Y475 PolarHBondContact O-N 3.1Å; L472-Y475 WeakPolarHBondContact O-CB 3.1Å; L472-Y475 PolarHBondContact O-N 3.44Å; Y475-T477 PolarHBondContact O-N 3.32Å; Y475-F478 PolarHBondContact O-N 3.22Å; Y475-W479 VanDerWaalsContact C-CD1 3.41Å; Y475-W479 AromaticContact CD1-CE2 3.85Å; Y475-W479 HydrophobicContact CD1-CH2 4.45Å; Y475-W479 AromaticContact CD1-CZ2 3.5Å; Y475-W479 HydrophobicContact CD1-CZ2 3.5Å; Y475-W479 AromaticContact CD1-NE1 3.91Å; Y475-W479 HydrophobicContact CE1-CZ2 4Å; Y475-W479 PolarHBondContact O-N 2.84Å; Y475-W479 PolarHBondContact O-NE1 3.34Å; Y475-Y525 HydrophobicContact CD1-CE1 4.49Å; Y475-Y525 HydrophobicContact CE1-CD1 4.09Å; Y475-Y525 AromaticContact CE1-CE1 3.66Å; Y475-Y525 HydrophobicContact CE1-CE1 3.66Å; Y475-L528 HydrophobicContact CG-CD1 4.35Å
476R62.3Low68.9Low136 Ų13650.4 Ų50.451%0.51326%0.257SS..Hα-helixtrans-55-50.4-178.1-78.7178170.8176.6-3.4113.2L472 D473 V474 T530L472-R476 PolarHBondContact O-N 2.89Å; L472-R476 VanDerWaalsContact O-N 3.08Å; D473-R476 PolarHBondContact O-N 3.19Å; D473-R476 IonicContact OD1-NH1 2.77Å; V474-R476 PolarHBondContact O-N 3.04Å; R476-T530 HydrophobicContact CB-CG2 4.2Å; R476-T530 HydrophobicContact CG-CG2 4.05Å
477T66.6Low69.6Low70 Ų7051.6 Ų51.643%0.42926%0.263SS..Hα-helixtrans-73.4-35.6-175.9-35.90000111.6F436 D473 Y475 V480 C481F436-T477 HydrophobicContact CE1-CG2 3.72Å; F436-T477 HydrophobicContact CE2-CG2 3.89Å; F436-T477 HydrophobicContact CZ-CG2 3.12Å; D473-T477 PolarHBondContact O-N 3.4Å; D473-T477 PolarHBondContact O-OG1 3.16Å; Y475-T477 PolarHBondContact O-N 3.32Å; T477-V480 PolarHBondContact O-N 3.26Å; T477-C481 PolarHBondContact O-N 2.64Å
478F73Confident70.4Confident6 Ų648.7 Ų48.73%0.02624%0.24CC..Hα-helixtrans-75.1-25178.1-73-51.2000114.4W424 I435 I462 L465 V474 Y475 V480 C481 L482W424-F478 AromaticContact CH2-CE2 3.71Å; W424-F478 HydrophobicContact CH2-CE2 3.71Å; W424-F478 AromaticContact CH2-CZ 3.69Å; W424-F478 HydrophobicContact CH2-CZ 3.69Å; W424-F478 AromaticContact CZ2-CE2 3.7Å; W424-F478 HydrophobicContact CZ2-CE2 3.7Å; W424-F478 HydrophobicContact CZ2-CZ 4.17Å; W424-F478 HydrophobicContact CZ3-CZ 4.27Å; I435-F478 HydrophobicContact CD1-CZ 4.15Å; I435-F478 HydrophobicContact CG2-CE1 3.8Å; I435-F478 HydrophobicContact CG2-CZ 4.17Å; I462-F478 HydrophobicContact CD1-CB 4.08Å; I462-F478 HydrophobicContact CD1-CD1 3.61Å; I462-F478 HydrophobicContact CD1-CE1 4.35Å; I462-F478 HydrophobicContact CD1-CG 4.09Å; I462-F478 HydrophobicContact CG1-CB 4.21Å; I462-F478 HydrophobicContact CG1-CD1 3.53Å; I462-F478 HydrophobicContact CG1-CE1 3.95Å; I462-F478 HydrophobicContact CG1-CG 3.87Å; I462-F478 HydrophobicContact CG2-CB 3.71Å; I462-F478 HydrophobicContact CG2-CD2 4.45Å; I462-F478 HydrophobicContact CG2-CG 4.03Å; L465-F478 HydrophobicContact CD1-CE2 4.46Å; L465-F478 HydrophobicContact CD1-CZ 4.41Å; V474-F478 HydrophobicContact CG1-CD2 3.42Å; V474-F478 VanDerWaalsContact CG1-CD2 3.42Å; V474-F478 HydrophobicContact CG1-CE2 3.43Å; V474-F478 VanDerWaalsContact CG1-CE2 3.43Å; V474-F478 WeakPolarHBondContact O-CB 3.34Å; V474-F478 WeakPolarHBondContact O-CD2 3.39Å; V474-F478 PolarHBondContact O-N 2.92Å; V474-F478 VanDerWaalsContact O-N 3.12Å; Y475-F478 PolarHBondContact O-N 3.22Å; F478-V480 VanDerWaalsContact C-N 3.32Å; F478-V480 PolarHBondContact O-N 3.31Å; F478-C481 WeakPolarHBondContact O-CB 3.48Å; F478-C481 PolarHBondContact O-N 3.12Å; F478-C481 VanDerWaalsContact O-N 3.17Å; F478-L482 PolarHBondContact O-N 3.12Å
479W73.3Confident71.1Confident8 Ų843 Ų433%0.0322%0.215CC..Hα-helixtrans-59.7-45.6169.1-68.7131.5000111.1Y475 C481 L482 F483 I519 L520 Y525 C533Y475-W479 VanDerWaalsContact C-CD1 3.41Å; Y475-W479 AromaticContact CD1-CE2 3.85Å; Y475-W479 HydrophobicContact CD1-CH2 4.45Å; Y475-W479 AromaticContact CD1-CZ2 3.5Å; Y475-W479 HydrophobicContact CD1-CZ2 3.5Å; Y475-W479 AromaticContact CD1-NE1 3.91Å; Y475-W479 HydrophobicContact CE1-CZ2 4Å; Y475-W479 PolarHBondContact O-N 2.84Å; Y475-W479 PolarHBondContact O-NE1 3.34Å; W479-C481 PolarHBondContact O-N 3.46Å; W479-L482 HydrophobicContact CE3-CD1 3.64Å; W479-L482 HydrophobicContact CZ3-CD1 3.55Å; W479-L482 PolarHBondContact O-N 2.94Å; W479-L482 VanDerWaalsContact O-N 3.12Å; W479-F483 HydrophobicContact CB-CE2 4.44Å; W479-F483 WeakPolarHBondContact O-CD2 3.44Å; W479-F483 PolarHBondContact O-N 3.42Å; W479-I519 HydrophobicContact CH2-CG2 3.9Å; W479-I519 HydrophobicContact CZ3-CG2 3.75Å; W479-L520 HydrophobicContact CE3-CD2 3.59Å; W479-L520 HydrophobicContact CZ3-CD2 3.65Å; W479-Y525 HydrophobicContact CH2-CD1 4.14Å; W479-Y525 AromaticContact CH2-CD2 3.79Å; W479-Y525 HydrophobicContact CH2-CD2 3.79Å; W479-Y525 AromaticContact CH2-CG 3.58Å; W479-Y525 HydrophobicContact CH2-CG 3.58Å; W479-Y525 VanDerWaalsContact CZ2-CB 3.43Å; W479-Y525 AromaticContact CZ2-CD1 3.67Å; W479-Y525 HydrophobicContact CZ2-CD1 3.67Å; W479-Y525 HydrophobicContact CZ2-CD2 4.18Å; W479-Y525 HydrophobicContact CZ2-CE1 4.49Å; W479-Y525 AromaticContact CZ2-CG 3.5Å; W479-Y525 HydrophobicContact CZ2-CG 3.5Å; W479-C533 WeakPolarHBondContact CB-SG 2.95Å
480V76Confident71.9Confident29 Ų2940 Ų4018%0.17620%0.203CC..Hα-helixtrans-57.7-38.6176.3178.20000110.6T477 F478 F483 K484 L536T477-V480 PolarHBondContact O-N 3.26Å; F478-V480 VanDerWaalsContact C-N 3.32Å; F478-V480 PolarHBondContact O-N 3.31Å; V480-F483 PolarHBondContact O-N 3.24Å; V480-K484 HydrophobicContact CG1-CD 4.17Å; V480-K484 HydrophobicContact CG1-CG 4.42Å; V480-K484 WeakPolarHBondContact O-CB 2.76Å; V480-K484 WeakPolarHBondContact O-CG 3.25Å; V480-K484 PolarHBondContact O-N 3.15Å; V480-L536 HydrophobicContact CG1-CD1 4.29Å
481C79.8Confident72.8Confident2 Ų236.6 Ų36.61%0.01419%0.185CC..Hα-helixtrans-63.4-46.8175.5-61.40000112.9F436 F439 F458 I462 T477 F478 W479 F483 K484 L485F436-C481 WeakPolarHBondContact CE1-SG 3.36Å; F439-C481 HydrophobicContact CD1-CB 4.43Å; F439-C481 HydrophobicContact CD2-CB 4.27Å; F439-C481 HydrophobicContact CE1-CB 3.88Å; F439-C481 HydrophobicContact CE2-CB 3.7Å; F439-C481 HydrophobicContact CZ-CB 3.5Å; F439-C481 VanDerWaalsContact CZ-O 3.29Å; F439-C481 WeakPolarHBondContact CZ-O 3.48Å; F458-C481 HydrophobicContact CE1-CB 3.93Å; F458-C481 HydrophobicContact CZ-CB 4.41Å; I462-C481 HydrophobicContact CD1-CB 4.17Å; T477-C481 PolarHBondContact O-N 2.64Å; F478-C481 WeakPolarHBondContact O-CB 3.48Å; F478-C481 PolarHBondContact O-N 3.12Å; F478-C481 VanDerWaalsContact O-N 3.17Å; W479-C481 PolarHBondContact O-N 3.46Å; C481-F483 VanDerWaalsContact C-N 3.27Å; C481-F483 PolarHBondContact O-N 3.28Å; C481-K484 PolarHBondContact O-N 2.93Å; C481-L485 PolarHBondContact O-N 3.25Å
482L82.2Confident73.8Confident1 Ų135.1 Ų35.11%0.00517%0.174CC..Hα-helixtrans-60.6-38.8178.2-70.5174000111.7I459 I462 F478 W479 L485 L486 I516 I519I459-L482 HydrophobicContact CG1-CD2 3.99Å; I462-L482 HydrophobicContact CD1-CD2 4.37Å; I462-L482 HydrophobicContact CD1-CG 4.43Å; F478-L482 PolarHBondContact O-N 3.12Å; W479-L482 HydrophobicContact CE3-CD1 3.64Å; W479-L482 HydrophobicContact CZ3-CD1 3.55Å; W479-L482 PolarHBondContact O-N 2.94Å; W479-L482 VanDerWaalsContact O-N 3.12Å; L482-L485 PolarHBondContact O-N 2.91Å; L482-L486 WeakPolarHBondContact O-CB 3.37Å; L482-L486 PolarHBondContact O-N 2.97Å; L482-I516 HydrophobicContact CB-CG2 4.15Å; L482-I516 HydrophobicContact CD2-CG1 4.23Å; L482-I519 HydrophobicContact CD1-CG2 4.17Å; L482-I519 HydrophobicContact CD2-CD1 4.5Å
483F83Confident74.7Confident2 Ų230.1 Ų30.11%0.00915%0.147CC..Hα-helixtrans-68.4-43.6175-76.8-63.4000113.6W479 V480 C481 L485 L486 D487 L520 W529 C533 L536 F537W479-F483 HydrophobicContact CB-CE2 4.44Å; W479-F483 WeakPolarHBondContact O-CD2 3.44Å; W479-F483 PolarHBondContact O-N 3.42Å; V480-F483 PolarHBondContact O-N 3.24Å; C481-F483 VanDerWaalsContact C-N 3.27Å; C481-F483 PolarHBondContact O-N 3.28Å; F483-L485 VanDerWaalsContact C-N 3.26Å; F483-L485 PolarHBondContact O-N 3.28Å; F483-L486 PolarHBondContact O-N 3.4Å; F483-D487 WeakPolarHBondContact O-CB 3.41Å; F483-D487 PolarHBondContact O-N 3.43Å; F483-L520 HydrophobicContact CD1-CD1 4.3Å; F483-L520 HydrophobicContact CE1-CD1 3.65Å; F483-L520 HydrophobicContact CE1-CD2 4.38Å; F483-L520 HydrophobicContact CE2-CD2 4.11Å; F483-L520 HydrophobicContact CZ-CD1 3.92Å; F483-L520 HydrophobicContact CZ-CD2 3.81Å; F483-W529 HydrophobicContact CE1-CH2 4.02Å; F483-W529 HydrophobicContact CE1-CZ2 4.28Å; F483-W529 HydrophobicContact CE1-CZ3 4.19Å; F483-W529 AromaticContact CE2-CD2 3.94Å; F483-W529 HydrophobicContact CE2-CD2 3.94Å; F483-W529 AromaticContact CE2-CE2 3.87Å; F483-W529 HydrophobicContact CE2-CE3 4.27Å; F483-W529 HydrophobicContact CE2-CG 4.37Å; F483-W529 HydrophobicContact CE2-CZ2 4.22Å; F483-W529 AromaticContact CZ-CD2 3.71Å; F483-W529 HydrophobicContact CZ-CD2 3.71Å; F483-W529 AromaticContact CZ-CE2 3.49Å; F483-W529 VanDerWaalsContact CZ-CE2 3.49Å; F483-W529 AromaticContact CZ-CE3 3.73Å; F483-W529 HydrophobicContact CZ-CE3 3.73Å; F483-W529 AromaticContact CZ-CH2 3.47Å; F483-W529 HydrophobicContact CZ-CH2 3.47Å; F483-W529 VanDerWaalsContact CZ-CH2 3.47Å; F483-W529 AromaticContact CZ-CZ2 3.4Å; F483-W529 HydrophobicContact CZ-CZ2 3.4Å; F483-W529 VanDerWaalsContact CZ-CZ2 3.4Å; F483-W529 AromaticContact CZ-CZ3 3.6Å; F483-W529 HydrophobicContact CZ-CZ3 3.6Å; F483-C533 HydrophobicContact CD2-CB 3.56Å; F483-C533 HydrophobicContact CE2-CB 3.43Å; F483-C533 VanDerWaalsContact CE2-CB 3.43Å; F483-C533 HydrophobicContact CZ-CB 4.38Å; F483-L536 HydrophobicContact CB-CB 3.64Å; F483-L536 HydrophobicContact CB-CD1 3.63Å; F483-L536 HydrophobicContact CB-CG 4.28Å; F483-L536 HydrophobicContact CD1-CB 4.44Å; F483-L536 HydrophobicContact CG-CB 4.13Å; F483-F537 HydrophobicContact CD1-CB 3.93Å; F483-F537 HydrophobicContact CD1-CD2 4.43Å; F483-F537 HydrophobicContact CE1-CB 3.46Å; F483-F537 VanDerWaalsContact CE1-CB 3.46Å; F483-F537 AromaticContact CE1-CD2 3.71Å; F483-F537 HydrophobicContact CE1-CD2 3.71Å; F483-F537 AromaticContact CE1-CG 3.92Å; F483-F537 HydrophobicContact CE1-CG 3.92Å; F483-F537 HydrophobicContact CZ-CB 4.15Å
484K84.5Confident75.4Confident84 Ų8426.1 Ų26.137%0.36513%0.126SC..Hα-helixtrans-62-36175.1-76178.3173.1-172.70111.9F439 L443 V480 C481 K488 L536F439-K484 HydrophobicContact CE1-CB 4.27Å; F439-K484 HydrophobicContact CE1-CD 3.94Å; F439-K484 HydrophobicContact CZ-CB 3.93Å; F439-K484 HydrophobicContact CZ-CD 4.42Å; L443-K484 HydrophobicContact CD1-CB 3.9Å; L443-K484 HydrophobicContact CD1-CD 3.91Å; L443-K484 HydrophobicContact CD1-CG 4.46Å; L443-K484 HydrophobicContact CD2-CB 4.21Å; V480-K484 HydrophobicContact CG1-CD 4.17Å; V480-K484 HydrophobicContact CG1-CG 4.42Å; V480-K484 WeakPolarHBondContact O-CB 2.76Å; V480-K484 WeakPolarHBondContact O-CG 3.25Å; V480-K484 PolarHBondContact O-N 3.15Å; C481-K484 PolarHBondContact O-N 2.93Å; K484-K488 WeakPolarHBondContact O-CB 3.19Å; K484-K488 PolarHBondContact O-N 3.1Å; K484-L536 HydrophobicContact CG-CD1 4.07Å
485L85.8Confident76.1Confident0 Ų031.1 Ų31.10%015%0.146CC..Hα-helixtrans-63.3-48.2172.2-84.2162.1000111.6F439 L442 L443 F451 S455 F458 I459 C481 L482 F483 D487 K488 V489 I516F439-L485 HydrophobicContact CE2-CD1 3.82Å; F439-L485 HydrophobicContact CE2-CD2 4.33Å; F439-L485 HydrophobicContact CE2-CG 3.7Å; F439-L485 HydrophobicContact CZ-CG 4.28Å; L442-L485 HydrophobicContact CD2-CD2 3.94Å; L442-L485 HydrophobicContact CG-CD2 4.49Å; L443-L485 HydrophobicContact CD2-CD2 4.45Å; F451-L485 HydrophobicContact CE2-CD2 3.75Å; F451-L485 HydrophobicContact CZ-CD2 3.77Å; S455-L485 VanDerWaalsContact OG-CD2 3.3Å; S455-L485 WeakPolarHBondContact OG-CD2 3.48Å; F458-L485 HydrophobicContact CD1-CD1 3.86Å; F458-L485 HydrophobicContact CE1-CD1 4.29Å; I459-L485 HydrophobicContact CG1-CD1 4.43Å; C481-L485 PolarHBondContact O-N 3.25Å; L482-L485 PolarHBondContact O-N 2.91Å; F483-L485 VanDerWaalsContact C-N 3.26Å; F483-L485 PolarHBondContact O-N 3.28Å; L485-D487 VanDerWaalsContact C-N 3.29Å; L485-D487 PolarHBondContact O-N 2.71Å; L485-K488 PolarHBondContact O-N 3.4Å; L485-V489 WeakPolarHBondContact O-CG2 3.22Å; L485-V489 PolarHBondContact O-N 3.21Å; L485-I516 HydrophobicContact CB-CD1 3.65Å
486L82.9Confident76.5Confident0 Ų031.7 Ų31.70%015%0.15CC..Hα-helixtrans-60.9-41.1179.4-171.764.7000111.7L482 F483 V489 N490 A513 I516 L517 L520 F540L482-L486 WeakPolarHBondContact O-CB 3.37Å; L482-L486 PolarHBondContact O-N 2.97Å; F483-L486 PolarHBondContact O-N 3.4Å; L486-V489 PolarHBondContact O-N 2.89Å; L486-N490 WeakPolarHBondContact O-CB 3.35Å; L486-N490 PolarHBondContact O-N 3.31Å; L486-A513 HydrophobicContact CD1-CB 3.8Å; L486-I516 HydrophobicContact CB-CD1 4.35Å; L486-I516 HydrophobicContact CB-CG2 4.24Å; L486-I516 HydrophobicContact CD1-CG2 4.43Å; L486-L517 HydrophobicContact CD1-CG 4.34Å; L486-L517 HydrophobicContact CD2-CD2 4.09Å; L486-L520 HydrophobicContact CD2-CD1 4.35Å; L486-F540 HydrophobicContact CD1-CD2 4.38Å; L486-F540 HydrophobicContact CD1-CE2 3.76Å; L486-F540 HydrophobicContact CD1-CZ 3.89Å; L486-F540 HydrophobicContact CD2-CD1 3.76Å; L486-F540 HydrophobicContact CD2-CD2 3.93Å; L486-F540 HydrophobicContact CD2-CE1 3.73Å; L486-F540 HydrophobicContact CD2-CE2 3.9Å; L486-F540 HydrophobicContact CD2-CG 3.84Å; L486-F540 HydrophobicContact CD2-CZ 3.78Å; L486-F540 HydrophobicContact CG-CD1 4.42Å; L486-F540 HydrophobicContact CG-CD2 3.67Å; L486-F540 HydrophobicContact CG-CE1 4.32Å; L486-F540 HydrophobicContact CG-CE2 3.55Å; L486-F540 HydrophobicContact CG-CG 4.09Å; L486-F540 HydrophobicContact CG-CZ 3.88Å
487D82.4Confident76.2Confident39 Ų3927.7 Ų27.721%0.20914%0.143CC..Hα-helixtrans-63.4-44.8175-163.147.2000111.3F483 L485 V489 N490 D491F483-D487 WeakPolarHBondContact O-CB 3.41Å; F483-D487 PolarHBondContact O-N 3.43Å; L485-D487 VanDerWaalsContact C-N 3.29Å; L485-D487 PolarHBondContact O-N 2.71Å; D487-V489 PolarHBondContact O-N 3Å; D487-N490 WeakPolarHBondContact O-CB 3.07Å; D487-N490 PolarHBondContact O-N 3.44Å; D487-D491 PolarHBondContact O-N 3.34Å
488K83.6Confident75.5Confident25 Ų2529.4 Ų29.411%0.10915%0.153CC..Hα-helixtrans-63.8-39.6175.8-179.166.7-177.7-154.50113L443 T445 D446 F451 K484 L485 N490 D491 Q492L443-K488 HydrophobicContact CD2-CB 4.02Å; L443-K488 HydrophobicContact CD2-CG 4.4Å; L443-K488 WeakPolarHBondContact O-CD 3.48Å; L443-K488 WeakPolarHBondContact O-CE 3.33Å; L443-K488 PolarHBondContact O-NZ 3.01Å; T445-K488 VanDerWaalsContact O-CE 3.3Å; T445-K488 WeakPolarHBondContact O-CE 3.25Å; T445-K488 PolarHBondContact O-NZ 2.93Å; D446-K488 IonicContact OD1-NZ 2.91Å; F451-K488 HydrophobicContact CD2-CG 4.17Å; F451-K488 HydrophobicContact CE1-CG 4.37Å; F451-K488 HydrophobicContact CE2-CB 4.11Å; F451-K488 HydrophobicContact CE2-CG 3.45Å; F451-K488 VanDerWaalsContact CE2-CG 3.45Å; F451-K488 HydrophobicContact CZ-CB 3.9Å; F451-K488 HydrophobicContact CZ-CG 3.57Å; K484-K488 WeakPolarHBondContact O-CB 3.19Å; K484-K488 PolarHBondContact O-N 3.1Å; L485-K488 PolarHBondContact O-N 3.4Å; K488-N490 VanDerWaalsContact C-N 3.33Å; K488-D491 PolarHBondContact O-N 3.2Å; K488-Q492 HydrophobicContact CD-CG 4.49Å; K488-Q492 WeakPolarHBondContact O-CG 3.24Å; K488-Q492 PolarHBondContact O-N 3.38Å
489V80.1Confident74.2Confident1 Ų136.3 Ų36.31%0.00619%0.187CC..Hα-helixtrans-57.6-51173.1168.10000109.5F451 L485 L486 D487 D491 Q492 I493 L509 V512 A513F451-V489 HydrophobicContact CE1-CB 4.49Å; F451-V489 HydrophobicContact CE1-CG2 3.58Å; F451-V489 HydrophobicContact CZ-CG2 3.99Å; L485-V489 WeakPolarHBondContact O-CG2 3.22Å; L485-V489 PolarHBondContact O-N 3.21Å; L486-V489 PolarHBondContact O-N 2.89Å; D487-V489 PolarHBondContact O-N 3Å; V489-D491 PolarHBondContact O-N 3.32Å; V489-Q492 PolarHBondContact O-N 2.87Å; V489-I493 HydrophobicContact CG1-CD1 3.67Å; V489-I493 HydrophobicContact CG1-CG1 4.43Å; V489-I493 WeakPolarHBondContact O-CG1 3.49Å; V489-I493 PolarHBondContact O-N 3.32Å; V489-L509 HydrophobicContact CG1-CB 4.19Å; V489-L509 VanDerWaalsContact CG1-O 3.31Å; V489-L509 WeakPolarHBondContact CG1-O 3.49Å; V489-V512 HydrophobicContact CG2-CB 4.2Å; V489-V512 HydrophobicContact CG2-CG1 3.72Å; V489-A513 HydrophobicContact CG1-CB 3.95Å
490N78.1Confident72.7Confident0 Ų044 Ų440%023%0.228CC..Hα-helixtrans-60-45.5179.8176.463.2000111.5L486 D487 K488 Q492 I493 L494 F540 S543 F553L486-N490 WeakPolarHBondContact O-CB 3.35Å; L486-N490 PolarHBondContact O-N 3.31Å; D487-N490 WeakPolarHBondContact O-CB 3.07Å; D487-N490 PolarHBondContact O-N 3.44Å; K488-N490 VanDerWaalsContact C-N 3.33Å; N490-Q492 PolarHBondContact O-N 3.46Å; N490-I493 PolarHBondContact O-N 3Å; N490-L494 WeakPolarHBondContact O-CB 3.49Å; N490-L494 VanDerWaalsContact O-CG 3.23Å; N490-L494 WeakPolarHBondContact O-CG 3.31Å; N490-L494 PolarHBondContact O-N 3.19Å; N490-F540 HydrophobicContact CB-CD2 4.17Å; N490-F540 HydrophobicContact CB-CE2 4.36Å; N490-S543 WeakPolarHBondContact ND2-CB 3.48Å; N490-F553 WeakPolarHBondContact OD1-CE2 3.46Å
491D78.1Confident71Confident66 Ų6652.4 Ų52.435%0.35326%0.263SS..Hα-helixtrans-57.7-43.4174-92.53000113.2D487 K488 V489 K495D487-D491 PolarHBondContact O-N 3.34Å; K488-D491 PolarHBondContact O-N 3.2Å; V489-D491 PolarHBondContact O-N 3.32Å; D491-K495 WeakPolarHBondContact O-CB 3.4Å; D491-K495 VanDerWaalsContact O-CG 3.23Å; D491-K495 WeakPolarHBondContact O-CG 3.41Å; D491-K495 PolarHBondContact O-N 3.49Å
492Q77.2Confident69.4Low10 Ų1053.2 Ų53.25%0.04727%0.271CS..Hα-helixtrans-67.7-40.2179-76.9-165.6-4.800111.8T445 K488 V489 N490 K495 Q496 L509T445-Q492 PolarHBondContact O-NE2 2.94Å; K488-Q492 HydrophobicContact CD-CG 4.49Å; K488-Q492 WeakPolarHBondContact O-CG 3.24Å; K488-Q492 PolarHBondContact O-N 3.38Å; V489-Q492 PolarHBondContact O-N 2.87Å; N490-Q492 PolarHBondContact O-N 3.46Å; Q492-K495 PolarHBondContact O-N 2.82Å; Q492-Q496 WeakPolarHBondContact O-CB 3.5Å; Q492-Q496 WeakPolarHBondContact O-CG 3.35Å; Q492-Q496 PolarHBondContact O-N 3.29Å; Q492-L509 HydrophobicContact CB-CD1 3.91Å; Q492-L509 VanDerWaalsContact OE1-CD2 3.29Å
493I72.3Confident67.8Low3 Ų360.9 Ų60.92%0.01531%0.311CS..Hα-helixtrans-65.3-46.2177.7-69.3172000110.5V489 N490 K495 Q496 S497 L509 F553V489-I493 HydrophobicContact CG1-CD1 3.67Å; V489-I493 HydrophobicContact CG1-CG1 4.43Å; V489-I493 WeakPolarHBondContact O-CG1 3.49Å; V489-I493 PolarHBondContact O-N 3.32Å; N490-I493 PolarHBondContact O-N 3Å; I493-K495 VanDerWaalsContact C-N 3.28Å; I493-K495 PolarHBondContact O-N 2.86Å; I493-Q496 PolarHBondContact O-N 3.45Å; I493-Q496 VanDerWaalsContact O-N 3.1Å; I493-S497 PolarHBondContact O-N 3.47Å; I493-L509 HydrophobicContact CD1-CB 3.95Å; I493-L509 HydrophobicContact CG1-CB 3.99Å; I493-L509 HydrophobicContact CG1-CD1 3.86Å; I493-F553 HydrophobicContact CB-CE1 4.36Å; I493-F553 HydrophobicContact CB-CZ 3.81Å; I493-F553 HydrophobicContact CD1-CD1 4.44Å; I493-F553 HydrophobicContact CD1-CE1 3.32Å; I493-F553 HydrophobicContact CD1-CZ 3.58Å; I493-F553 HydrophobicContact CG1-CE1 4.41Å; I493-F553 HydrophobicContact CG1-CZ 4.28Å; I493-F553 HydrophobicContact CG2-CE1 4Å; I493-F553 HydrophobicContact CG2-CE2 3.98Å; I493-F553 HydrophobicContact CG2-CZ 3.56Å
494L70.5Confident66.1Low30 Ų3068.7 Ų68.716%0.15735%0.345CS..Hα-helixtrans-62.9-33.3177.2-68.8172.4000112.8N490 S497 L548N490-L494 WeakPolarHBondContact O-CB 3.49Å; N490-L494 VanDerWaalsContact O-CG 3.23Å; N490-L494 WeakPolarHBondContact O-CG 3.31Å; N490-L494 PolarHBondContact O-N 3.19Å; L494-S497 PolarHBondContact O-OG 3.03Å; L494-L548 HydrophobicContact CD2-CB 3.66Å
495K70.6Confident64.7Low124 Ų12467 Ų6754%0.53934%0.34SS..Hα-helixtrans-69.9-40.8172.7-75171.6-175.9175.80111.4D491 Q492 I493 T498D491-K495 WeakPolarHBondContact O-CB 3.4Å; D491-K495 VanDerWaalsContact O-CG 3.23Å; D491-K495 WeakPolarHBondContact O-CG 3.41Å; D491-K495 PolarHBondContact O-N 3.49Å; Q492-K495 PolarHBondContact O-N 2.82Å; I493-K495 VanDerWaalsContact C-N 3.28Å; I493-K495 PolarHBondContact O-N 2.86Å; K495-T498 PolarHBondContact O-OG1 2.8Å
496Q65.1Low63.7Low30 Ų3069.4 Ų69.414%0.1435%0.353CS..Hα-helixtrans-73.3-28.7-178.4-74.6-177.839.400113.8Q492 I493 T498 M499 N506Q492-Q496 WeakPolarHBondContact O-CB 3.5Å; Q492-Q496 WeakPolarHBondContact O-CG 3.35Å; Q492-Q496 PolarHBondContact O-N 3.29Å; I493-Q496 PolarHBondContact O-N 3.45Å; I493-Q496 VanDerWaalsContact O-N 3.1Å; Q496-T498 PolarHBondContact O-N 3.23Å; Q496-M499 PolarHBondContact O-N 3.04Å; Q496-N506 PolarHBondContact OE1-OD1 3.37Å
497S55.1Low63Low52 Ų5275 Ų7536%0.36438%0.379SS..THydrogen-bonded Turntrans-61.5-8.5177.263.60000114.1I493 L494 S552I493-S497 PolarHBondContact O-N 3.47Å; L494-S497 PolarHBondContact O-OG 3.03Å; S497-S552 VanDerWaalsContact CB-OG 3.31Å; S497-S552 WeakPolarHBondContact CB-OG 3.15Å
498T52.1Low62.5Low106 Ų10674.2 Ų74.265%0.6538%0.38SS*.THydrogen-bonded Turntrans-96-10.1173.362.30000114.6K495 Q496K495-T498 PolarHBondContact O-OG1 2.8Å; Q496-T498 PolarHBondContact O-N 3.23Å
499M46.3Very low62.2Low150 Ų15073 Ų7374%0.73938%0.375SS*.SBendtrans-111.4127.4-178.1-69.3-157.3178.500112.4Q496 F501Q496-M499 PolarHBondContact O-N 3.04Å; M499-F501 PolarHBondContact O-N 3.1Å
500L40Very low62.2Low170 Ų17074.1 Ų74.189%0.8938%0.381SS*.THydrogen-bonded Turntrans-64.76.3-170.3-111.9126.5000117
501F40.7Very low62.2Low206 Ų20678.2 Ų78.290%0.90440%0.402SS*.THydrogen-bonded Turntrans-128.120.4-169.3-78.8-81.3000115.4M499M499-F501 PolarHBondContact O-N 3.1Å
502G46.8Very low62.4Low18 Ų1875.1 Ų75.119%0.18639%0.386CS..  trans-97.74.3-162.800000120.6F504 N505G502-F504 PolarHBondContact O-N 3.37Å; G502-N505 PolarHBondContact O-N 2.9Å
503L48.5Very low62.8Low162 Ų16274.6 Ų74.685%0.84838%0.383SS*.Hα-helixtrans-54.4-42.9-167.8-87149.3000115.1
504F47.1Very low63.3Low167 Ų16775.9 Ų75.973%0.73239%0.391SS*.Hα-helixtrans-79.1-22.4-175.2-131.9-84.5000114.6G502G502-F504 PolarHBondContact O-N 3.37Å
505N54.7Low63.8Low49 Ų4975.6 Ų75.626%0.26239%0.393SS..Hα-helixtrans-83.5-19.8-179.9-81-11.2000112.2P448 G502 L509P448-N505 HydrophobicContact CB-CB 4.44Å; G502-N505 PolarHBondContact O-N 2.9Å; N505-L509 WeakPolarHBondContact O-CG 3.39Å
506N65.5Low64.5Low50 Ų5069.7 Ų69.727%0.26737%0.367SS..Hα-helixtrans-72.6-37.2179.1-81.1-16.8000112.5Q496 L509 L510Q496-N506 PolarHBondContact OE1-OD1 3.37Å; N506-L509 PolarHBondContact O-N 2.89Å; N506-L510 VanDerWaalsContact O-CB 3.23Å; N506-L510 WeakPolarHBondContact O-CB 3.5Å; N506-L510 PolarHBondContact O-N 3.25Å
507E68.7Low65.5Low118 Ų11868.2 Ų68.255%0.55136%0.361SS*.Hα-helixtrans-58.7-51.8179.3-72.5179.6175.100111.8L509 L510 D511E507-L509 VanDerWaalsContact C-N 3.28Å; E507-L509 PolarHBondContact O-N 3.37Å; E507-L510 WeakPolarHBondContact O-CB 3.37Å; E507-L510 PolarHBondContact O-N 3.39Å; E507-L510 VanDerWaalsContact O-N 3.11Å; E507-D511 PolarHBondContact O-N 3.06Å
508G71.6Confident66.7Low21 Ų2170.2 Ų70.222%0.21636%0.363CS..Hα-helixtrans-64.2-29.9-179.900000114.1V512G508-V512 WeakPolarHBondContact O-CG2 3.43Å; G508-V512 PolarHBondContact O-N 2.83Å
509L77.7Confident67.8Low0 Ų065.8 Ų65.80%034%0.335CS..Hα-helixtrans-73.4-40.4173.6-69.8177.3000111.5P448 F451 V489 Q492 I493 N505 N506 E507 V512 A513P448-L509 HydrophobicContact CB-CD1 4.36Å; F451-L509 HydrophobicContact CD1-CD2 3.51Å; F451-L509 HydrophobicContact CE1-CD2 3.89Å; V489-L509 HydrophobicContact CG1-CB 4.19Å; V489-L509 VanDerWaalsContact CG1-O 3.31Å; V489-L509 WeakPolarHBondContact CG1-O 3.49Å; Q492-L509 HydrophobicContact CB-CD1 3.91Å; Q492-L509 VanDerWaalsContact OE1-CD2 3.29Å; I493-L509 HydrophobicContact CD1-CB 3.95Å; I493-L509 HydrophobicContact CG1-CB 3.99Å; I493-L509 HydrophobicContact CG1-CD1 3.86Å; N505-L509 WeakPolarHBondContact O-CG 3.39Å; N506-L509 PolarHBondContact O-N 2.89Å; E507-L509 VanDerWaalsContact C-N 3.28Å; E507-L509 PolarHBondContact O-N 3.37Å; L509-V512 WeakPolarHBondContact O-CB 3.23Å; L509-V512 PolarHBondContact O-N 3.16Å; L509-A513 PolarHBondContact O-N 3.48Å
510L79Confident69.4Low25 Ų2558.7 Ų58.713%0.13130%0.3CS..Hα-helixtrans-65.1-41.4177.4-162.878.5000111.4N506 E507 V512 A513 V514 F553 D556 F559N506-L510 VanDerWaalsContact O-CB 3.23Å; N506-L510 WeakPolarHBondContact O-CB 3.5Å; N506-L510 PolarHBondContact O-N 3.25Å; E507-L510 WeakPolarHBondContact O-CB 3.37Å; E507-L510 PolarHBondContact O-N 3.39Å; E507-L510 VanDerWaalsContact O-N 3.11Å; L510-V512 VanDerWaalsContact C-N 3.29Å; L510-V512 PolarHBondContact O-N 3.36Å; L510-A513 CarbonylContact O-C 3.56Å; L510-A513 WeakPolarHBondContact O-CB 3.01Å; L510-A513 PolarHBondContact O-N 3.04Å; L510-A513 VanDerWaalsContact O-N 3.12Å; L510-V514 WeakPolarHBondContact O-CB 3.2Å; L510-V514 WeakPolarHBondContact O-CG2 3.31Å; L510-V514 PolarHBondContact O-N 3.05Å; L510-F553 HydrophobicContact CD1-CD1 3.91Å; L510-F553 HydrophobicContact CD1-CE1 4.24Å; L510-D556 HydrophobicContact CD1-CB 4.27Å; L510-D556 HydrophobicContact CD2-CB 3.6Å; L510-D556 VanDerWaalsContact CD2-CG 3.42Å; L510-D556 WeakPolarHBondContact CD2-OD2 3.42Å; L510-D556 HydrophobicContact CG-CB 4.32Å; L510-F559 HydrophobicContact CD1-CB 4.13Å; L510-F559 HydrophobicContact CD1-CD2 4.29Å; L510-F559 HydrophobicContact CD1-CG 4.1Å; L510-F559 HydrophobicContact CG-CB 4.49Å
511D79.4Confident71.1Confident86 Ų8651 Ų5146%0.4626%0.26SS..Hα-helixtrans-61.3-38.7175.1-69.3-31.3000111.6F456 E507 V514 A515F456-D511 HydrophobicContact CE2-CB 4.32Å; F456-D511 HydrophobicContact CZ-CB 3.6Å; E507-D511 PolarHBondContact O-N 3.06Å; D511-V514 PolarHBondContact O-N 3.35Å; D511-A515 WeakPolarHBondContact O-CB 3.31Å; D511-A515 PolarHBondContact O-N 2.93Å
512V81.9Confident72.5Confident0 Ų047.7 Ų47.70%024%0.242CC..Hα-helixtrans-62.4-46.6173.5171.10000110.2F456 I459 V489 G508 L509 L510 V514 A515 I516F456-V512 HydrophobicContact CD2-CG2 3.82Å; F456-V512 HydrophobicContact CE1-CG2 4.3Å; F456-V512 HydrophobicContact CE2-CG2 3.42Å; F456-V512 VanDerWaalsContact CE2-CG2 3.42Å; F456-V512 HydrophobicContact CG-CG2 4.4Å; F456-V512 HydrophobicContact CZ-CB 4.42Å; F456-V512 HydrophobicContact CZ-CG2 3.67Å; I459-V512 HydrophobicContact CD1-CG1 4.07Å; V489-V512 HydrophobicContact CG2-CB 4.2Å; V489-V512 HydrophobicContact CG2-CG1 3.72Å; G508-V512 WeakPolarHBondContact O-CG2 3.43Å; G508-V512 PolarHBondContact O-N 2.83Å; L509-V512 WeakPolarHBondContact O-CB 3.23Å; L509-V512 PolarHBondContact O-N 3.16Å; L510-V512 VanDerWaalsContact C-N 3.29Å; L510-V512 PolarHBondContact O-N 3.36Å; V512-V514 PolarHBondContact O-N 3.14Å; V512-A515 PolarHBondContact O-N 3.45Å; V512-I516 HydrophobicContact CG1-CD1 3.79Å; V512-I516 HydrophobicContact CG1-CG1 4.47Å; V512-I516 VanDerWaalsContact O-CG1 3.27Å; V512-I516 WeakPolarHBondContact O-CG1 3.43Å; V512-I516 PolarHBondContact O-N 2.87Å
513A84.8Confident73.1Confident0 Ų051.4 Ų51.40%025%0.254CS..Hα-helixtrans-62.7-42.7176.900000112.4L486 V489 L509 L510 A515 I516 L517 F559L486-A513 HydrophobicContact CD1-CB 3.8Å; V489-A513 HydrophobicContact CG1-CB 3.95Å; L509-A513 PolarHBondContact O-N 3.48Å; L510-A513 CarbonylContact O-C 3.56Å; L510-A513 WeakPolarHBondContact O-CB 3.01Å; L510-A513 PolarHBondContact O-N 3.04Å; L510-A513 VanDerWaalsContact O-N 3.12Å; A513-A515 VanDerWaalsContact C-N 3.33Å; A513-A515 PolarHBondContact O-N 3.27Å; A513-I516 PolarHBondContact O-N 3.41Å; A513-L517 WeakPolarHBondContact O-CB 3.41Å; A513-L517 VanDerWaalsContact O-CG 3.23Å; A513-L517 WeakPolarHBondContact O-CG 3.37Å; A513-L517 PolarHBondContact O-N 3.22Å; A513-F559 HydrophobicContact CB-CD2 3.78Å; A513-F559 HydrophobicContact CB-CE2 3.63Å
514V82.5Confident73.8Confident29 Ų2948.4 Ų48.418%0.17624%0.243CC..Hα-helixtrans-59.7-44175.2165.60000110.6L510 D511 V512 L517 K518 F559 L562L510-V514 WeakPolarHBondContact O-CB 3.2Å; L510-V514 WeakPolarHBondContact O-CG2 3.31Å; L510-V514 PolarHBondContact O-N 3.05Å; D511-V514 PolarHBondContact O-N 3.35Å; V512-V514 PolarHBondContact O-N 3.14Å; V514-L517 PolarHBondContact O-N 3.44Å; V514-K518 WeakPolarHBondContact O-CB 3.31Å; V514-K518 PolarHBondContact O-N 2.94Å; V514-F559 HydrophobicContact CG2-CB 4Å; V514-L562 HydrophobicContact CG1-CD1 3.82Å
515A82.5Confident74.5Confident24 Ų2442.5 Ų42.520%0.19822%0.216CC..Hα-helixtrans-62.3-44.6176.600000111.9F456 I459 D511 V512 A513 K518 I519F456-A515 HydrophobicContact CE1-CB 3.93Å; I459-A515 HydrophobicContact CD1-CB 4.49Å; D511-A515 WeakPolarHBondContact O-CB 3.31Å; D511-A515 PolarHBondContact O-N 2.93Å; V512-A515 PolarHBondContact O-N 3.45Å; A513-A515 VanDerWaalsContact C-N 3.33Å; A513-A515 PolarHBondContact O-N 3.27Å; A515-K518 PolarHBondContact O-N 3.48Å; A515-I519 WeakPolarHBondContact O-CG1 3.43Å; A515-I519 PolarHBondContact O-N 3.38Å
516I84.5Confident74.8Confident0 Ų040.3 Ų40.30%020%0.204CC..Hα-helixtrans-63.1-51.3176.4-66164.8000110.4I459 L482 L485 L486 V512 A513 K518 I519 L520I459-I516 HydrophobicContact CD1-CD1 4.14Å; I459-I516 HydrophobicContact CD1-CG1 3.58Å; I459-I516 HydrophobicContact CG1-CG1 4.21Å; L482-I516 HydrophobicContact CB-CG2 4.15Å; L482-I516 HydrophobicContact CD2-CG1 4.23Å; L485-I516 HydrophobicContact CB-CD1 3.65Å; L486-I516 HydrophobicContact CB-CD1 4.35Å; L486-I516 HydrophobicContact CB-CG2 4.24Å; L486-I516 HydrophobicContact CD1-CG2 4.43Å; V512-I516 HydrophobicContact CG1-CD1 3.79Å; V512-I516 HydrophobicContact CG1-CG1 4.47Å; V512-I516 VanDerWaalsContact O-CG1 3.27Å; V512-I516 WeakPolarHBondContact O-CG1 3.43Å; V512-I516 PolarHBondContact O-N 2.87Å; A513-I516 PolarHBondContact O-N 3.41Å; I516-K518 VanDerWaalsContact C-N 3.27Å; I516-K518 PolarHBondContact O-N 3.48Å; I516-I519 WeakPolarHBondContact O-CB 3.17Å; I516-I519 PolarHBondContact O-N 2.87Å; I516-L520 HydrophobicContact CG2-CD1 3.64Å; I516-L520 HydrophobicContact CG2-CG 4.11Å; I516-L520 WeakPolarHBondContact O-CG 3.47Å; I516-L520 PolarHBondContact O-N 2.92Å
517L85.4Confident74.6Confident0 Ų041.8 Ų41.80%021%0.212CC..Hα-helixtrans-61.4-36.4-179-71.2168.7000111.8L486 A513 V514 I519 L520 S521 F540 F559 L562 S563 T566L486-L517 HydrophobicContact CD1-CG 4.34Å; L486-L517 HydrophobicContact CD2-CD2 4.09Å; A513-L517 WeakPolarHBondContact O-CB 3.41Å; A513-L517 VanDerWaalsContact O-CG 3.23Å; A513-L517 WeakPolarHBondContact O-CG 3.37Å; A513-L517 PolarHBondContact O-N 3.22Å; V514-L517 PolarHBondContact O-N 3.44Å; L517-I519 VanDerWaalsContact C-N 3.25Å; L517-I519 PolarHBondContact O-N 3.29Å; L517-L520 PolarHBondContact O-N 2.86Å; L517-S521 WeakPolarHBondContact O-CB 3.15Å; L517-S521 PolarHBondContact O-N 3.46Å; L517-S521 PolarHBondContact O-OG 3.17Å; L517-F540 HydrophobicContact CD2-CE1 4.26Å; L517-F559 HydrophobicContact CD1-CD2 3.61Å; L517-F559 HydrophobicContact CD1-CE2 3.63Å; L517-F559 HydrophobicContact CD1-CG 4.43Å; L517-F559 HydrophobicContact CD1-CZ 4.45Å; L517-L562 HydrophobicContact CB-CB 3.77Å; L517-L562 HydrophobicContact CD1-CB 4.39Å; L517-S563 WeakPolarHBondContact CD1-OG 3.26Å; L517-T566 HydrophobicContact CD2-CG2 4.49Å
518K80.6Confident74.5Confident93 Ų9338.4 Ų38.440%0.40420%0.197SC..Hα-helixtrans-61-32.6173.8177.6172.2177.21760113.1V514 A515 I516 S521 L562 F614V514-K518 WeakPolarHBondContact O-CB 3.31Å; V514-K518 PolarHBondContact O-N 2.94Å; A515-K518 PolarHBondContact O-N 3.48Å; I516-K518 VanDerWaalsContact C-N 3.27Å; I516-K518 PolarHBondContact O-N 3.48Å; K518-S521 PolarHBondContact O-OG 2.86Å; K518-L562 HydrophobicContact CB-CD1 4.19Å; K518-F614 HydrophobicContact CD-CE1 3.63Å; K518-F614 HydrophobicContact CD-CZ 3.7Å; K518-F614 HydrophobicContact CG-CE1 3.78Å; K518-F614 HydrophobicContact CG-CZ 3.67Å
519I76.4Confident74.6Confident14 Ų1438 Ų387%0.07219%0.189CC..Hα-helixtrans-74.8-47.2174.2-60.9165.5000109.7I459 Q463 W479 L482 A515 I516 L517 S521 R522I459-I519 HydrophobicContact CG2-CD1 3.43Å; I459-I519 VanDerWaalsContact CG2-CD1 3.43Å; Q463-I519 HydrophobicContact CG-CD1 3.78Å; Q463-I519 HydrophobicContact CG-CG1 4.31Å; W479-I519 HydrophobicContact CH2-CG2 3.9Å; W479-I519 HydrophobicContact CZ3-CG2 3.75Å; L482-I519 HydrophobicContact CD1-CG2 4.17Å; L482-I519 HydrophobicContact CD2-CD1 4.5Å; A515-I519 WeakPolarHBondContact O-CG1 3.43Å; A515-I519 PolarHBondContact O-N 3.38Å; I516-I519 WeakPolarHBondContact O-CB 3.17Å; I516-I519 PolarHBondContact O-N 2.87Å; L517-I519 VanDerWaalsContact C-N 3.25Å; L517-I519 PolarHBondContact O-N 3.29Å; I519-S521 VanDerWaalsContact C-N 3.31Å; I519-S521 PolarHBondContact O-N 3.17Å; I519-R522 PolarHBondContact O-N 2.92Å
520L78.9Confident74.3Confident0 Ų039.7 Ų39.70%020%0.2CC..Hα-helixtrans-67.7-28.9-176.6-65.6178.7000112.9W479 F483 L486 I516 L517 R522 I526 W529 T566W479-L520 HydrophobicContact CE3-CD2 3.59Å; W479-L520 HydrophobicContact CZ3-CD2 3.65Å; F483-L520 HydrophobicContact CD1-CD1 4.3Å; F483-L520 HydrophobicContact CE1-CD1 3.65Å; F483-L520 HydrophobicContact CE1-CD2 4.38Å; F483-L520 HydrophobicContact CE2-CD2 4.11Å; F483-L520 HydrophobicContact CZ-CD1 3.92Å; F483-L520 HydrophobicContact CZ-CD2 3.81Å; L486-L520 HydrophobicContact CD2-CD1 4.35Å; I516-L520 HydrophobicContact CG2-CD1 3.64Å; I516-L520 HydrophobicContact CG2-CG 4.11Å; I516-L520 WeakPolarHBondContact O-CG 3.47Å; I516-L520 PolarHBondContact O-N 2.92Å; L517-L520 PolarHBondContact O-N 2.86Å; L520-R522 PolarHBondContact O-N 3.02Å; L520-I526 VanDerWaalsContact O-CD1 3.27Å; L520-I526 WeakPolarHBondContact O-CD1 3.1Å; L520-W529 HydrophobicContact CB-CZ2 4.03Å; L520-W529 HydrophobicContact CD2-CZ2 3.79Å; L520-W529 HydrophobicContact CG-CZ2 4.34Å; L520-T566 HydrophobicContact CB-CG2 3.8Å
521S76.4Confident74Confident8 Ų842.7 Ų42.76%0.05622%0.223CC..THydrogen-bonded Turntrans-76.75.7-179.772.20000113.9L517 K518 I519 I569 T618L517-S521 WeakPolarHBondContact O-CB 3.15Å; L517-S521 PolarHBondContact O-N 3.46Å; L517-S521 PolarHBondContact O-OG 3.17Å; K518-S521 PolarHBondContact O-OG 2.86Å; I519-S521 VanDerWaalsContact C-N 3.31Å; I519-S521 PolarHBondContact O-N 3.17Å; S521-I569 VanDerWaalsContact O-CD1 3.23Å; S521-I569 WeakPolarHBondContact O-CD1 3.5Å; S521-T618 WeakPolarHBondContact OG-CG2 3.18Å
522R69.9Low73.7Confident138 Ų13843.1 Ų43.152%0.52123%0.225SC..  trans-85.5122.6173-71.3179.9175.1-163.54.3109.8I519 L520 T524 Y525I519-R522 PolarHBondContact O-N 2.92Å; L520-R522 PolarHBondContact O-N 3.02Å; R522-T524 PolarHBondContact O-N 3.42Å; R522-T524 VanDerWaalsContact O-N 3.13Å; R522-Y525 HydrophobicContact CB-CD2 3.63Å; R522-Y525 HydrophobicContact CB-CE2 4.02Å; R522-Y525 HydrophobicContact CG-CD2 4.43Å; R522-Y525 HydrophobicContact CG-CE2 4.44Å; R522-Y525 PolarHBondContact O-N 3.42Å; R522-Y525 VanDerWaalsContact O-N 3.07Å
523E59.6Low73.4Confident96 Ų9643.1 Ų43.145%0.44923%0.225SC..Hα-helixtrans-50-40.5-177.5-170.3-163.7141.900113.4Y525 Y625E523-Y525 PolarHBondContact O-N 2.78Å; E523-Y625 HydrophobicContact CG-CD1 4.12Å; E523-Y625 HydrophobicContact CG-CD2 3.75Å; E523-Y625 HydrophobicContact CG-CE1 4.06Å; E523-Y625 HydrophobicContact CG-CE2 3.69Å; E523-Y625 HydrophobicContact CG-CG 3.96Å; E523-Y625 WeakPolarHBondContact OE1-CD2 3.3Å; E523-Y625 WeakPolarHBondContact OE1-CE2 3.09Å; E523-Y625 WeakPolarHBondContact OE2-CD2 3Å
524T62.7Low73.1Confident98 Ų9844.9 Ų44.960%0.60123%0.232SC*.Hα-helixtrans-62.7-16.5-176.849.30000114.4R522R522-T524 PolarHBondContact O-N 3.42Å; R522-T524 VanDerWaalsContact O-N 3.13Å
525Y62.4Low72.9Confident43 Ų4348.4 Ų48.417%0.16925%0.25CC..Hα-helixtrans-106.5-23.6-169.1-65.8-41.9000115Y475 W479 R522 E523 L527 L528 W529Y475-Y525 HydrophobicContact CD1-CE1 4.49Å; Y475-Y525 HydrophobicContact CE1-CD1 4.09Å; Y475-Y525 AromaticContact CE1-CE1 3.66Å; Y475-Y525 HydrophobicContact CE1-CE1 3.66Å; W479-Y525 HydrophobicContact CH2-CD1 4.14Å; W479-Y525 AromaticContact CH2-CD2 3.79Å; W479-Y525 HydrophobicContact CH2-CD2 3.79Å; W479-Y525 AromaticContact CH2-CG 3.58Å; W479-Y525 HydrophobicContact CH2-CG 3.58Å; W479-Y525 VanDerWaalsContact CZ2-CB 3.43Å; W479-Y525 AromaticContact CZ2-CD1 3.67Å; W479-Y525 HydrophobicContact CZ2-CD1 3.67Å; W479-Y525 HydrophobicContact CZ2-CD2 4.18Å; W479-Y525 HydrophobicContact CZ2-CE1 4.49Å; W479-Y525 AromaticContact CZ2-CG 3.5Å; W479-Y525 HydrophobicContact CZ2-CG 3.5Å; R522-Y525 HydrophobicContact CB-CD2 3.63Å; R522-Y525 HydrophobicContact CB-CE2 4.02Å; R522-Y525 HydrophobicContact CG-CD2 4.43Å; R522-Y525 HydrophobicContact CG-CE2 4.44Å; R522-Y525 PolarHBondContact O-N 3.42Å; R522-Y525 VanDerWaalsContact O-N 3.07Å; E523-Y525 PolarHBondContact O-N 2.78Å; Y525-L527 VanDerWaalsContact C-N 3.33Å; Y525-L527 PolarHBondContact O-N 3.12Å; Y525-L528 HydrophobicContact CD1-CD1 4.31Å; Y525-L528 WeakPolarHBondContact O-CB 3.3Å; Y525-L528 PolarHBondContact O-N 3.3Å; Y525-W529 VanDerWaalsContact O-CD1 3.29Å
526I61.4Low72.7Confident3 Ų348.9 Ų48.92%0.01525%0.249CC..Hα-helixtrans-69.4-31-176.9-77.7171.8000112.6L520 L528 W529 T566 I569 C573L520-I526 VanDerWaalsContact O-CD1 3.27Å; L520-I526 WeakPolarHBondContact O-CD1 3.1Å; I526-L528 PolarHBondContact O-N 3.14Å; I526-L528 VanDerWaalsContact O-N 3.1Å; I526-W529 HydrophobicContact CB-CD2 4.46Å; I526-W529 HydrophobicContact CB-CZ2 4.41Å; I526-W529 HydrophobicContact CD1-CH2 3.87Å; I526-W529 HydrophobicContact CD1-CZ2 3.74Å; I526-W529 HydrophobicContact CG1-CD2 4.09Å; I526-W529 VanDerWaalsContact CG1-CE2 3.44Å; I526-W529 HydrophobicContact CG1-CH2 3.77Å; I526-W529 HydrophobicContact CG1-CZ2 3.25Å; I526-W529 HydrophobicContact CG1-CZ3 4.39Å; I526-W529 HydrophobicContact CG2-CD2 4.31Å; I526-W529 HydrophobicContact CG2-CE3 4.41Å; I526-W529 WeakPolarHBondContact O-CB 3.35Å; I526-W529 PolarHBondContact O-N 3.2Å; I526-W529 VanDerWaalsContact O-N 3.07Å; I526-T566 HydrophobicContact CD1-CG2 4.44Å; I526-I569 HydrophobicContact CB-CG2 3.81Å; I526-I569 HydrophobicContact CD1-CB 3.37Å; I526-I569 HydrophobicContact CD1-CD1 4.22Å; I526-I569 HydrophobicContact CD1-CG1 4.39Å; I526-I569 HydrophobicContact CD1-CG2 3.24Å; I526-I569 HydrophobicContact CG1-CG2 3.99Å; I526-I569 HydrophobicContact CG2-CG2 4.05Å; I526-C573 HydrophobicContact CG2-CB 3.53Å; I526-C573 WeakPolarHBondContact CG2-SG 3.5Å
527L61.4Low72.7Confident82 Ų8248.9 Ų48.943%0.42925%0.249SC..THydrogen-bonded Turntrans-63.8-15.7173.8-66.4173.7000113Y525 C573Y525-L527 VanDerWaalsContact C-N 3.33Å; Y525-L527 PolarHBondContact O-N 3.12Å; L527-C573 HydrophobicContact CD2-CB 4.26Å
528L66Low72.5Confident47 Ų4749.1 Ų49.125%0.24625%0.25CS..THydrogen-bonded Turntrans-91.3-1.5178.1-54.2-179.5000113.1L472 Y475 Y525 I526 T530L472-L528 HydrophobicContact CD2-CD1 4.26Å; L472-L528 HydrophobicContact CD2-CD2 3.38Å; L472-L528 HydrophobicContact CD2-CG 4.42Å; Y475-L528 HydrophobicContact CG-CD1 4.35Å; Y525-L528 HydrophobicContact CD1-CD1 4.31Å; Y525-L528 WeakPolarHBondContact O-CB 3.3Å; Y525-L528 PolarHBondContact O-N 3.3Å; I526-L528 PolarHBondContact O-N 3.14Å; I526-L528 VanDerWaalsContact O-N 3.1Å; L528-T530 PolarHBondContact O-N 3.22Å
529W72.5Confident72.6Confident12 Ų1247.4 Ų47.45%0.04525%0.248CC..  trans-70.9128.9-177.4-70.310.3000111.7F483 L520 Y525 I526 C533 K534 F537 T566 F570F483-W529 HydrophobicContact CE1-CH2 4.02Å; F483-W529 HydrophobicContact CE1-CZ2 4.28Å; F483-W529 HydrophobicContact CE1-CZ3 4.19Å; F483-W529 AromaticContact CE2-CD2 3.94Å; F483-W529 HydrophobicContact CE2-CD2 3.94Å; F483-W529 AromaticContact CE2-CE2 3.87Å; F483-W529 HydrophobicContact CE2-CE3 4.27Å; F483-W529 HydrophobicContact CE2-CG 4.37Å; F483-W529 HydrophobicContact CE2-CZ2 4.22Å; F483-W529 AromaticContact CZ-CD2 3.71Å; F483-W529 HydrophobicContact CZ-CD2 3.71Å; F483-W529 AromaticContact CZ-CE2 3.49Å; F483-W529 VanDerWaalsContact CZ-CE2 3.49Å; F483-W529 AromaticContact CZ-CE3 3.73Å; F483-W529 HydrophobicContact CZ-CE3 3.73Å; F483-W529 AromaticContact CZ-CH2 3.47Å; F483-W529 HydrophobicContact CZ-CH2 3.47Å; F483-W529 VanDerWaalsContact CZ-CH2 3.47Å; F483-W529 AromaticContact CZ-CZ2 3.4Å; F483-W529 HydrophobicContact CZ-CZ2 3.4Å; F483-W529 VanDerWaalsContact CZ-CZ2 3.4Å; F483-W529 AromaticContact CZ-CZ3 3.6Å; F483-W529 HydrophobicContact CZ-CZ3 3.6Å; L520-W529 HydrophobicContact CB-CZ2 4.03Å; L520-W529 HydrophobicContact CD2-CZ2 3.79Å; L520-W529 HydrophobicContact CG-CZ2 4.34Å; Y525-W529 VanDerWaalsContact O-CD1 3.29Å; I526-W529 HydrophobicContact CB-CD2 4.46Å; I526-W529 HydrophobicContact CB-CZ2 4.41Å; I526-W529 HydrophobicContact CD1-CH2 3.87Å; I526-W529 HydrophobicContact CD1-CZ2 3.74Å; I526-W529 HydrophobicContact CG1-CD2 4.09Å; I526-W529 VanDerWaalsContact CG1-CE2 3.44Å; I526-W529 HydrophobicContact CG1-CH2 3.77Å; I526-W529 HydrophobicContact CG1-CZ2 3.25Å; I526-W529 HydrophobicContact CG1-CZ3 4.39Å; I526-W529 HydrophobicContact CG2-CD2 4.31Å; I526-W529 HydrophobicContact CG2-CE3 4.41Å; I526-W529 WeakPolarHBondContact O-CB 3.35Å; I526-W529 PolarHBondContact O-N 3.2Å; I526-W529 VanDerWaalsContact O-N 3.07Å; W529-C533 HydrophobicContact CB-CB 3.87Å; W529-C533 HydrophobicContact CG-CB 4.13Å; W529-K534 HydrophobicContact CB-CG 4.18Å; W529-K534 HydrophobicContact CE3-CG 4.43Å; W529-F537 HydrophobicContact CH2-CD1 4.42Å; W529-F537 HydrophobicContact CH2-CD2 4.39Å; W529-F537 HydrophobicContact CH2-CG 4.21Å; W529-F537 HydrophobicContact CZ3-CB 4.03Å; W529-F537 AromaticContact CZ3-CD1 3.97Å; W529-F537 HydrophobicContact CZ3-CD1 3.97Å; W529-F537 AromaticContact CZ3-CG 3.9Å; W529-F537 HydrophobicContact CZ3-CG 3.9Å; W529-T566 HydrophobicContact CH2-CG2 3.76Å; W529-T566 HydrophobicContact CZ2-CG2 4.28Å; W529-F570 AromaticContact CE3-CD2 3.93Å; W529-F570 HydrophobicContact CE3-CD2 3.93Å; W529-F570 HydrophobicContact CZ3-CB 4.09Å; W529-F570 AromaticContact CZ3-CD2 3.6Å; W529-F570 HydrophobicContact CZ3-CD2 3.6Å; W529-F570 HydrophobicContact CZ3-CE2 4.47Å; W529-F570 HydrophobicContact CZ3-CG 4.2Å
530T71.6Confident72.9Confident36 Ų3647 Ų4722%0.22125%0.245CC..  trans-72.5168.2172.264.10000110.7R476 L528 D532 C533 K534R476-T530 HydrophobicContact CB-CG2 4.2Å; R476-T530 HydrophobicContact CG-CG2 4.05Å; L528-T530 PolarHBondContact O-N 3.22Å; T530-D532 PolarHBondContact O-N 2.83Å; T530-C533 WeakPolarHBondContact O-CB 3.09Å; T530-C533 PolarHBondContact O-N 3.4Å; T530-C533 PolarHBondContact OG1-N 3.46Å; T530-C533 PolarHBondContact OG1-SG 3.31Å; T530-K534 VanDerWaalsContact O-CG 3.3Å; T530-K534 WeakPolarHBondContact O-CG 3.27Å; T530-K534 PolarHBondContact O-N 3Å; T530-K534 VanDerWaalsContact O-N 3.11Å
531S72.7Confident73.1Confident88 Ų8847 Ų4762%0.61525%0.246SC*.Hα-helixtrans-51.7-39170.746.90000112.2K534 L535S531-K534 PolarHBondContact O-N 3.09Å; S531-L535 PolarHBondContact O-N 3.11Å
532D73.1Confident73.3Confident94 Ų9449.5 Ų49.550%0.50326%0.258SS..Hα-helixtrans-70.8-42.5-176.4-58.5-3.8000110.9T530 K534 L535 L536T530-D532 PolarHBondContact O-N 2.83Å; D532-K534 VanDerWaalsContact C-N 3.31Å; D532-K534 PolarHBondContact O-N 3.07Å; D532-L535 PolarHBondContact O-N 3.1Å; D532-L536 WeakPolarHBondContact O-CG 3.37Å; D532-L536 PolarHBondContact O-N 3.06Å
533C76.1Confident73.7Confident0 Ų044.1 Ų44.10%024%0.242CC..Hα-helixtrans-56.4-47172.4-68.60000111.7W479 F483 W529 T530 L535 L536 F537W479-C533 WeakPolarHBondContact CB-SG 2.95Å; F483-C533 HydrophobicContact CD2-CB 3.56Å; F483-C533 HydrophobicContact CE2-CB 3.43Å; F483-C533 VanDerWaalsContact CE2-CB 3.43Å; F483-C533 HydrophobicContact CZ-CB 4.38Å; W529-C533 HydrophobicContact CB-CB 3.87Å; W529-C533 HydrophobicContact CG-CB 4.13Å; T530-C533 WeakPolarHBondContact O-CB 3.09Å; T530-C533 PolarHBondContact O-N 3.4Å; T530-C533 PolarHBondContact OG1-N 3.46Å; T530-C533 PolarHBondContact OG1-SG 3.31Å; C533-L535 VanDerWaalsContact C-N 3.31Å; C533-L535 PolarHBondContact O-N 3.05Å; C533-L536 PolarHBondContact O-N 3.13Å; C533-F537 PolarHBondContact O-N 3.13Å
534K78.6Confident74.5Confident37 Ų3739.7 Ų39.716%0.16122%0.221CC..Hα-helixtrans-62.3-39.7180-67.4165.6171.8-159.90111.5W529 T530 S531 D532 S538 F570 E574 N577W529-K534 HydrophobicContact CB-CG 4.18Å; W529-K534 HydrophobicContact CE3-CG 4.43Å; T530-K534 VanDerWaalsContact O-CG 3.3Å; T530-K534 WeakPolarHBondContact O-CG 3.27Å; T530-K534 PolarHBondContact O-N 3Å; T530-K534 VanDerWaalsContact O-N 3.11Å; S531-K534 PolarHBondContact O-N 3.09Å; D532-K534 VanDerWaalsContact C-N 3.31Å; D532-K534 PolarHBondContact O-N 3.07Å; K534-S538 WeakPolarHBondContact O-CB 3.42Å; K534-S538 PolarHBondContact O-N 2.93Å; K534-S538 VanDerWaalsContact O-N 3.13Å; K534-S538 PolarHBondContact O-OG 3.42Å; K534-F570 HydrophobicContact CB-CE2 3.88Å; K534-F570 HydrophobicContact CG-CE2 3.95Å; K534-E574 WeakPolarHBondContact CD-OE1 3.23Å; K534-E574 WeakPolarHBondContact CE-OE1 3.14Å; K534-E574 IonicContact NZ-OE1 3.74Å; K534-E574 PolarHBondContact NZ-OE1 3.36Å; K534-N577 PolarHBondContact NZ-ND2 3.33Å; K534-N577 VanDerWaalsContact NZ-ND2 3.11Å
535L78.5Confident75.2Confident103 Ų10336.8 Ų36.854%0.53920%0.202SC..Hα-helixtrans-66.7-42.7176-178.567.7000112.3S531 D532 C533 S538 V539S531-L535 PolarHBondContact O-N 3.11Å; D532-L535 PolarHBondContact O-N 3.1Å; C533-L535 VanDerWaalsContact C-N 3.31Å; C533-L535 PolarHBondContact O-N 3.05Å; L535-S538 WeakPolarHBondContact O-CB 3.46Å; L535-S538 PolarHBondContact O-N 3.16Å; L535-V539 WeakPolarHBondContact O-CG2 3.36Å; L535-V539 PolarHBondContact O-N 3.07Å
536L78.6Confident75.6Confident35 Ų3536.9 Ų36.918%0.18321%0.208CC..Hα-helixtrans-67.7-45.6178.9-70.4168.1000111.8V480 F483 K484 D532 C533 S538 V539 F540V480-L536 HydrophobicContact CG1-CD1 4.29Å; F483-L536 HydrophobicContact CB-CB 3.64Å; F483-L536 HydrophobicContact CB-CD1 3.63Å; F483-L536 HydrophobicContact CB-CG 4.28Å; F483-L536 HydrophobicContact CD1-CB 4.44Å; F483-L536 HydrophobicContact CG-CB 4.13Å; K484-L536 HydrophobicContact CG-CD1 4.07Å; D532-L536 WeakPolarHBondContact O-CG 3.37Å; D532-L536 PolarHBondContact O-N 3.06Å; C533-L536 PolarHBondContact O-N 3.13Å; L536-S538 PolarHBondContact O-N 3.29Å; L536-V539 PolarHBondContact O-N 3.28Å; L536-V539 VanDerWaalsContact O-N 3.16Å; L536-F540 PolarHBondContact O-N 3.41Å
537F84.2Confident75.6Confident0 Ų040 Ų400%024%0.241CC..Hα-helixtrans-58.1-40.5175.4-174.4-115.1000112.1F483 W529 C533 F540 V541 T566 F567 F570F483-F537 HydrophobicContact CD1-CB 3.93Å; F483-F537 HydrophobicContact CD1-CD2 4.43Å; F483-F537 HydrophobicContact CE1-CB 3.46Å; F483-F537 VanDerWaalsContact CE1-CB 3.46Å; F483-F537 AromaticContact CE1-CD2 3.71Å; F483-F537 HydrophobicContact CE1-CD2 3.71Å; F483-F537 AromaticContact CE1-CG 3.92Å; F483-F537 HydrophobicContact CE1-CG 3.92Å; F483-F537 HydrophobicContact CZ-CB 4.15Å; W529-F537 HydrophobicContact CH2-CD1 4.42Å; W529-F537 HydrophobicContact CH2-CD2 4.39Å; W529-F537 HydrophobicContact CH2-CG 4.21Å; W529-F537 HydrophobicContact CZ3-CB 4.03Å; W529-F537 AromaticContact CZ3-CD1 3.97Å; W529-F537 HydrophobicContact CZ3-CD1 3.97Å; W529-F537 AromaticContact CZ3-CG 3.9Å; W529-F537 HydrophobicContact CZ3-CG 3.9Å; C533-F537 PolarHBondContact O-N 3.13Å; F537-F540 HydrophobicContact CD2-CD1 4.02Å; F537-F540 AromaticContact CE2-CD1 3.94Å; F537-F540 HydrophobicContact CE2-CD1 3.94Å; F537-F540 HydrophobicContact CE2-CE1 4.2Å; F537-F540 WeakPolarHBondContact O-CB 3.36Å; F537-F540 PolarHBondContact O-N 3.19Å; F537-V541 HydrophobicContact CD1-CG2 4.24Å; F537-V541 HydrophobicContact CE1-CG2 3.81Å; F537-V541 HydrophobicContact CE2-CG2 4.28Å; F537-V541 HydrophobicContact CZ-CG2 3.84Å; F537-V541 WeakPolarHBondContact O-CG2 3.33Å; F537-V541 PolarHBondContact O-N 2.77Å; F537-T566 HydrophobicContact CD2-CG2 4.38Å; F537-T566 HydrophobicContact CE2-CG2 3.6Å; F537-T566 HydrophobicContact CZ-CG2 3.68Å; F537-F567 HydrophobicContact CE1-CB 4.36Å; F537-F567 HydrophobicContact CE1-CD2 4.3Å; F537-F567 HydrophobicContact CZ-CB 4.21Å; F537-F570 HydrophobicContact CD1-CB 3.97Å; F537-F570 AromaticContact CD1-CD1 3.79Å; F537-F570 HydrophobicContact CD1-CD1 3.79Å; F537-F570 AromaticContact CD1-CD2 3.86Å; F537-F570 HydrophobicContact CD1-CD2 3.86Å; F537-F570 HydrophobicContact CD1-CE1 4.23Å; F537-F570 HydrophobicContact CD1-CE2 4.28Å; F537-F570 AromaticContact CD1-CG 3.57Å; F537-F570 HydrophobicContact CD1-CG 3.57Å; F537-F570 HydrophobicContact CD1-CZ 4.46Å; F537-F570 HydrophobicContact CE1-CB 3.68Å; F537-F570 AromaticContact CE1-CD1 3.81Å; F537-F570 HydrophobicContact CE1-CD1 3.81Å; F537-F570 HydrophobicContact CE1-CD2 4.43Å; F537-F570 AromaticContact CE1-CG 3.71Å; F537-F570 HydrophobicContact CE1-CG 3.71Å
538S81.2Confident75.6Confident4 Ų441 Ų413%0.02825%0.247CC..Hα-helixtrans-57.2-47.5175.2-91.60000113.2K534 L535 L536 V541 D542 R589K534-S538 WeakPolarHBondContact O-CB 3.42Å; K534-S538 PolarHBondContact O-N 2.93Å; K534-S538 VanDerWaalsContact O-N 3.13Å; K534-S538 PolarHBondContact O-OG 3.42Å; L535-S538 WeakPolarHBondContact O-CB 3.46Å; L535-S538 PolarHBondContact O-N 3.16Å; L536-S538 PolarHBondContact O-N 3.29Å; S538-V541 PolarHBondContact O-N 3.35Å; S538-D542 VanDerWaalsContact O-CG 3.26Å; S538-D542 PolarHBondContact O-N 2.71Å; S538-D542 VanDerWaalsContact O-N 3.11Å; S538-D542 VanDerWaalsContact O-OD2 3.04Å; S538-R589 VanDerWaalsContact C-NH1 3.3Å; S538-R589 PolarHBondContact O-NH1 3.41Å; S538-R589 PolarHBondContact O-NH2 3.43Å; S538-R589 PolarHBondContact OG-NE 3.11Å; S538-R589 PolarHBondContact OG-NH1 2.94Å; S538-R589 VanDerWaalsContact OG-NH1 3.11Å
539V82.3Confident75.4Confident58 Ų5838.8 Ų38.835%0.35224%0.235SC..Hα-helixtrans-66-38.4174.3169.30000111.5L535 L536 D542 S543L535-V539 WeakPolarHBondContact O-CG2 3.36Å; L535-V539 PolarHBondContact O-N 3.07Å; L536-V539 PolarHBondContact O-N 3.28Å; L536-V539 VanDerWaalsContact O-N 3.16Å; V539-D542 PolarHBondContact O-N 3Å; V539-S543 WeakPolarHBondContact O-CB 3.36Å; V539-S543 PolarHBondContact O-N 2.77Å; V539-S543 PolarHBondContact O-OG 2.96Å
540F83.5Confident74.8Confident4 Ų441.1 Ų41.12%0.01825%0.248CC..Hα-helixtrans-60-48.2174.9165.6-102.7000111.6L486 N490 L517 L536 F537 D542 S543 L544 F559L486-F540 HydrophobicContact CD1-CD2 4.38Å; L486-F540 HydrophobicContact CD1-CE2 3.76Å; L486-F540 HydrophobicContact CD1-CZ 3.89Å; L486-F540 HydrophobicContact CD2-CD1 3.76Å; L486-F540 HydrophobicContact CD2-CD2 3.93Å; L486-F540 HydrophobicContact CD2-CE1 3.73Å; L486-F540 HydrophobicContact CD2-CE2 3.9Å; L486-F540 HydrophobicContact CD2-CG 3.84Å; L486-F540 HydrophobicContact CD2-CZ 3.78Å; L486-F540 HydrophobicContact CG-CD1 4.42Å; L486-F540 HydrophobicContact CG-CD2 3.67Å; L486-F540 HydrophobicContact CG-CE1 4.32Å; L486-F540 HydrophobicContact CG-CE2 3.55Å; L486-F540 HydrophobicContact CG-CG 4.09Å; L486-F540 HydrophobicContact CG-CZ 3.88Å; N490-F540 HydrophobicContact CB-CD2 4.17Å; N490-F540 HydrophobicContact CB-CE2 4.36Å; L517-F540 HydrophobicContact CD2-CE1 4.26Å; L536-F540 PolarHBondContact O-N 3.41Å; F537-F540 HydrophobicContact CD2-CD1 4.02Å; F537-F540 AromaticContact CE2-CD1 3.94Å; F537-F540 HydrophobicContact CE2-CD1 3.94Å; F537-F540 HydrophobicContact CE2-CE1 4.2Å; F537-F540 WeakPolarHBondContact O-CB 3.36Å; F537-F540 PolarHBondContact O-N 3.19Å; F540-D542 VanDerWaalsContact C-N 3.33Å; F540-D542 PolarHBondContact O-N 3.39Å; F540-S543 WeakPolarHBondContact O-CB 3.21Å; F540-S543 PolarHBondContact O-N 3.1Å; F540-S543 VanDerWaalsContact O-N 3.15Å; F540-L544 HydrophobicContact CD1-CD1 4.21Å; F540-L544 HydrophobicContact CE1-CD1 3.57Å; F540-L544 HydrophobicContact CE1-CG 4.35Å; F540-L544 HydrophobicContact CE2-CD1 4.13Å; F540-L544 HydrophobicContact CE2-CD2 4.25Å; F540-L544 HydrophobicContact CE2-CG 4.16Å; F540-L544 HydrophobicContact CZ-CD1 3.55Å; F540-L544 HydrophobicContact CZ-CD2 4.36Å; F540-L544 HydrophobicContact CZ-CG 4.09Å; F540-L544 WeakPolarHBondContact O-CG 3.23Å; F540-L544 PolarHBondContact O-N 2.87Å; F540-F559 HydrophobicContact CE2-CE2 4.42Å; F540-F559 HydrophobicContact CE2-CZ 4.08Å; F540-F559 AromaticContact CZ-CE2 3.96Å; F540-F559 HydrophobicContact CZ-CE2 3.96Å; F540-F559 AromaticContact CZ-CZ 3.63Å; F540-F559 HydrophobicContact CZ-CZ 3.63Å
541V82.7Confident74.2Confident2 Ų242.2 Ų42.21%0.01227%0.266CS..Hα-helixtrans-61.7-40.9176.6173.90000111.6F537 S538 S543 L544 M545 F567 W593F537-V541 HydrophobicContact CD1-CG2 4.24Å; F537-V541 HydrophobicContact CE1-CG2 3.81Å; F537-V541 HydrophobicContact CE2-CG2 4.28Å; F537-V541 HydrophobicContact CZ-CG2 3.84Å; F537-V541 WeakPolarHBondContact O-CG2 3.33Å; F537-V541 PolarHBondContact O-N 2.77Å; S538-V541 PolarHBondContact O-N 3.35Å; V541-S543 VanDerWaalsContact C-N 3.29Å; V541-S543 PolarHBondContact O-N 3.46Å; V541-L544 PolarHBondContact O-N 2.93Å; V541-M545 HydrophobicContact CG1-CE 4.3Å; V541-M545 PolarHBondContact O-N 2.87Å; V541-M545 VanDerWaalsContact O-N 3.16Å; V541-F567 HydrophobicContact CG1-CD2 4.21Å; V541-F567 HydrophobicContact CG1-CE2 4.19Å; V541-F567 HydrophobicContact CG2-CD2 4.06Å; V541-W593 HydrophobicContact CB-CZ2 4.08Å; V541-W593 HydrophobicContact CG1-CH2 4.35Å; V541-W593 HydrophobicContact CG1-CZ2 3.7Å
542D81.6Confident73.8Confident59 Ų5939.6 Ų39.632%0.31625%0.248SC..Hα-helixtrans-60.8-40.2175.6-70-35.3000111.9S538 V539 F540 M545 S546 R589 W593S538-D542 VanDerWaalsContact O-CG 3.26Å; S538-D542 PolarHBondContact O-N 2.71Å; S538-D542 VanDerWaalsContact O-N 3.11Å; S538-D542 VanDerWaalsContact O-OD2 3.04Å; V539-D542 PolarHBondContact O-N 3Å; F540-D542 VanDerWaalsContact C-N 3.33Å; F540-D542 PolarHBondContact O-N 3.39Å; D542-M545 PolarHBondContact O-N 3.37Å; D542-M545 WeakPolarHBondContact OD1-CE 3.39Å; D542-S546 PolarHBondContact O-N 2.69Å; D542-R589 IonicContact OD1-NH1 3.96Å; D542-R589 IonicContact OD2-CZ 3.37Å; D542-R589 IonicContact OD2-NH1 3.25Å; D542-R589 PolarHBondContact OD2-NH1 3.31Å; D542-R589 IonicContact OD2-NH2 3.48Å; D542-R589 PolarHBondContact OD2-NH2 3.33Å; D542-W593 PolarHBondContact OD1-NE1 3.03Å
543S77.6Confident73.5Confident26 Ų2635.4 Ų35.418%0.18223%0.225CC..Hα-helixtrans-68.7-37.9178.8-58.60000112.3N490 V539 F540 V541 M545 S546N490-S543 WeakPolarHBondContact ND2-CB 3.48Å; V539-S543 WeakPolarHBondContact O-CB 3.36Å; V539-S543 PolarHBondContact O-N 2.77Å; V539-S543 PolarHBondContact O-OG 2.96Å; F540-S543 WeakPolarHBondContact O-CB 3.21Å; F540-S543 PolarHBondContact O-N 3.1Å; F540-S543 VanDerWaalsContact O-N 3.15Å; V541-S543 VanDerWaalsContact C-N 3.29Å; V541-S543 PolarHBondContact O-N 3.46Å; S543-M545 VanDerWaalsContact C-N 3.29Å; S543-M545 PolarHBondContact O-N 2.92Å; S543-S546 VanDerWaalsContact O-CB 3.28Å; S543-S546 WeakPolarHBondContact O-CB 3.33Å; S543-S546 PolarHBondContact O-N 3.26Å; S543-S546 VanDerWaalsContact O-N 3.13Å; S543-S546 PolarHBondContact O-OG 3.31Å
544L76.7Confident72.7Confident3 Ų338.5 Ų38.52%0.01624%0.241CC..Hα-helixtrans-62.2-36.2173.9-70.4-177.8000112.8F540 V541 S546 F553 F559 Y600 L601F540-L544 HydrophobicContact CD1-CD1 4.21Å; F540-L544 HydrophobicContact CE1-CD1 3.57Å; F540-L544 HydrophobicContact CE1-CG 4.35Å; F540-L544 HydrophobicContact CE2-CD1 4.13Å; F540-L544 HydrophobicContact CE2-CD2 4.25Å; F540-L544 HydrophobicContact CE2-CG 4.16Å; F540-L544 HydrophobicContact CZ-CD1 3.55Å; F540-L544 HydrophobicContact CZ-CD2 4.36Å; F540-L544 HydrophobicContact CZ-CG 4.09Å; F540-L544 WeakPolarHBondContact O-CG 3.23Å; F540-L544 PolarHBondContact O-N 2.87Å; V541-L544 PolarHBondContact O-N 2.93Å; L544-S546 VanDerWaalsContact C-N 3.25Å; L544-S546 PolarHBondContact O-N 3.21Å; L544-F553 HydrophobicContact CD2-CD2 3.51Å; L544-F553 HydrophobicContact CD2-CE2 3.74Å; L544-F553 HydrophobicContact CD2-CG 3.96Å; L544-F553 HydrophobicContact CD2-CZ 4.32Å; L544-F559 HydrophobicContact CD1-CE1 4.14Å; L544-F559 HydrophobicContact CD1-CZ 4.07Å; L544-F559 HydrophobicContact CD2-CE1 3.76Å; L544-F559 HydrophobicContact CD2-CZ 3.7Å; L544-Y600 HydrophobicContact CB-CE1 4.1Å; L544-Y600 VanDerWaalsContact O-CE1 3.24Å; L544-Y600 WeakPolarHBondContact O-CE1 3.35Å; L544-Y600 PolarHBondContact O-OH 2.75Å; L544-L601 HydrophobicContact CD1-CD2 4.21Å
545M75.7Confident72Confident37 Ų3743.6 Ų43.618%0.18227%0.27CS..THydrogen-bonded Turntrans-75.6-10.3176.7-70.6-168.3-71.200113.9V541 D542 S543 K596 S597 Y600V541-M545 HydrophobicContact CG1-CE 4.3Å; V541-M545 PolarHBondContact O-N 2.87Å; V541-M545 VanDerWaalsContact O-N 3.16Å; D542-M545 PolarHBondContact O-N 3.37Å; D542-M545 WeakPolarHBondContact OD1-CE 3.39Å; S543-M545 VanDerWaalsContact C-N 3.29Å; S543-M545 PolarHBondContact O-N 2.92Å; M545-K596 HydrophobicContact SD-CG 4.32Å; M545-S597 WeakPolarHBondContact CE-OG 3.25Å; M545-S597 WeakPolarHBondContact SD-CA 3.37Å; M545-Y600 HydrophobicContact CB-CD1 4.44Å; M545-Y600 HydrophobicContact CG-CD1 3.62Å; M545-Y600 HydrophobicContact CG-CE1 4.28Å; M545-Y600 HydrophobicContact CG-CG 3.95Å
546S72.1Confident71.7Confident45 Ų4540.6 Ų40.632%0.31525%0.254SS..SBendtrans-69.4151179.178.10000111.2D542 S543 L544 L548 G549 I550D542-S546 PolarHBondContact O-N 2.69Å; S543-S546 VanDerWaalsContact O-CB 3.28Å; S543-S546 WeakPolarHBondContact O-CB 3.33Å; S543-S546 PolarHBondContact O-N 3.26Å; S543-S546 VanDerWaalsContact O-N 3.13Å; S543-S546 PolarHBondContact O-OG 3.31Å; L544-S546 VanDerWaalsContact C-N 3.25Å; L544-S546 PolarHBondContact O-N 3.21Å; S546-L548 PolarHBondContact O-N 2.87Å; S546-G549 WeakPolarHBondContact O-CA 3.49Å; S546-G549 PolarHBondContact O-N 2.8Å; S546-G549 PolarHBondContact OG-N 3.22Å; S546-I550 WeakPolarHBondContact O-CG1 2.98Å; S546-I550 PolarHBondContact O-N 3.09Å
547G62.1Low71.3Confident68 Ų6839.4 Ų39.470%0.70125%0.25SC*.Hα-helixtrans-55.1-27.5-178.700000114.8
548L61.5Low70.9Confident104 Ų10441.1 Ų41.155%0.54526%0.262SS..Hα-helixtrans-79-37.5174.8-73.4161.1000112.6L494 S546 I550 S552L494-L548 HydrophobicContact CD2-CB 3.66Å; S546-L548 PolarHBondContact O-N 2.87Å; L548-I550 VanDerWaalsContact C-N 3.35Å; L548-S552 PolarHBondContact O-N 3.47Å; L548-S552 PolarHBondContact O-OG 3.38Å
549G60.3Low70.9Confident0 Ų041 Ų410%026%0.261CS..Hα-helixtrans-64.2-40.6175.400000112S546 G551 S552 F553S546-G549 WeakPolarHBondContact O-CA 3.49Å; S546-G549 PolarHBondContact O-N 2.8Å; S546-G549 PolarHBondContact OG-N 3.22Å; G549-G551 PolarHBondContact O-N 3.37Å; G549-S552 PolarHBondContact O-N 3.32Å; G549-S552 VanDerWaalsContact O-N 3.13Å; G549-F553 VanDerWaalsContact O-CD2 3.32Å; G549-F553 WeakPolarHBondContact O-CD2 3.39Å; G549-F553 PolarHBondContact O-N 2.85Å; G549-F553 VanDerWaalsContact O-N 3.16Å
550I59.3Low70.7Confident61 Ų6139.4 Ų39.431%0.31325%0.248SC..Hα-helixtrans-51.6-53.8177.6-63.3175.4000110.7S546 L548 S552 L554 Y600S546-I550 WeakPolarHBondContact O-CG1 2.98Å; S546-I550 PolarHBondContact O-N 3.09Å; L548-I550 VanDerWaalsContact C-N 3.35Å; I550-S552 VanDerWaalsContact C-N 3.31Å; I550-S552 PolarHBondContact O-N 2.91Å; I550-L554 HydrophobicContact CG2-CD1 3.38Å; I550-L554 HydrophobicContact CG2-CG 4.14Å; I550-L554 WeakPolarHBondContact O-CB 3.39Å; I550-L554 WeakPolarHBondContact O-CD1 3.46Å; I550-L554 WeakPolarHBondContact O-CG 3.28Å; I550-L554 PolarHBondContact O-N 3.31Å; I550-Y600 WeakPolarHBondContact CA-OH 3.48Å; I550-Y600 HydrophobicContact CD1-CE2 4.2Å; I550-Y600 HydrophobicContact CG1-CE2 3.62Å
551G60.7Low70.5Confident58 Ų5839.2 Ų39.260%0.59825%0.248SC*.Hα-helixtrans-67.8-25.4-177.800000115.2G549G549-G551 PolarHBondContact O-N 3.37Å
552S63.9Low70.6Confident34 Ų3439.2 Ų39.224%0.23825%0.247CC..Hα-helixtrans-91.4-28.2-170.1-51.80000113.6S497 L548 G549 I550S497-S552 VanDerWaalsContact CB-OG 3.31Å; S497-S552 WeakPolarHBondContact CB-OG 3.15Å; L548-S552 PolarHBondContact O-N 3.47Å; L548-S552 PolarHBondContact O-OG 3.38Å; G549-S552 PolarHBondContact O-N 3.32Å; G549-S552 VanDerWaalsContact O-N 3.13Å; I550-S552 VanDerWaalsContact C-N 3.31Å; I550-S552 PolarHBondContact O-N 2.91Å
553F65.7Low70.8Confident6 Ų636.5 Ų36.53%0.02623%0.233CC..Hα-helixtrans-113.6-2.1-175.4-61.2-76.5000113.8N490 I493 L510 L544 G549 N555 F559N490-F553 WeakPolarHBondContact OD1-CE2 3.46Å; I493-F553 HydrophobicContact CB-CE1 4.36Å; I493-F553 HydrophobicContact CB-CZ 3.81Å; I493-F553 HydrophobicContact CD1-CD1 4.44Å; I493-F553 HydrophobicContact CD1-CE1 3.32Å; I493-F553 HydrophobicContact CD1-CZ 3.58Å; I493-F553 HydrophobicContact CG1-CE1 4.41Å; I493-F553 HydrophobicContact CG1-CZ 4.28Å; I493-F553 HydrophobicContact CG2-CE1 4Å; I493-F553 HydrophobicContact CG2-CE2 3.98Å; I493-F553 HydrophobicContact CG2-CZ 3.56Å; L510-F553 HydrophobicContact CD1-CD1 3.91Å; L510-F553 HydrophobicContact CD1-CE1 4.24Å; L544-F553 HydrophobicContact CD2-CD2 3.51Å; L544-F553 HydrophobicContact CD2-CE2 3.74Å; L544-F553 HydrophobicContact CD2-CG 3.96Å; L544-F553 HydrophobicContact CD2-CZ 4.32Å; G549-F553 VanDerWaalsContact O-CD2 3.32Å; G549-F553 WeakPolarHBondContact O-CD2 3.39Å; G549-F553 PolarHBondContact O-N 2.85Å; G549-F553 VanDerWaalsContact O-N 3.16Å; F553-N555 PolarHBondContact O-N 2.97Å; F553-N555 VanDerWaalsContact O-N 3.17Å; F553-F559 HydrophobicContact CB-CD1 4.04Å; F553-F559 HydrophobicContact CB-CE1 3.79Å; F553-F559 AromaticContact CD1-CD1 3.88Å; F553-F559 HydrophobicContact CD1-CD1 3.88Å; F553-F559 AromaticContact CD1-CE1 3.5Å; F553-F559 HydrophobicContact CD1-CE1 3.5Å; F553-F559 VanDerWaalsContact CD1-CE1 3.5Å; F553-F559 HydrophobicContact CD1-CE2 4.31Å; F553-F559 HydrophobicContact CD1-CG 4.44Å; F553-F559 AromaticContact CD1-CZ 3.74Å; F553-F559 HydrophobicContact CD1-CZ 3.74Å; F553-F559 HydrophobicContact CE1-CE1 4.18Å; F553-F559 HydrophobicContact CE1-CE2 4.32Å; F553-F559 AromaticContact CE1-CZ 3.94Å; F553-F559 HydrophobicContact CE1-CZ 3.94Å; F553-F559 HydrophobicContact CG-CD1 4.27Å; F553-F559 AromaticContact CG-CE1 3.73Å; F553-F559 HydrophobicContact CG-CE1 3.73Å; F553-F559 HydrophobicContact CG-CZ 4.25Å
554L59.5Low71.1Confident65 Ų6535.2 Ų35.234%0.3422%0.224SC..THydrogen-bonded Turntrans-63.3-20.5-173.7-110.6168.2000114.6I550 R560I550-L554 HydrophobicContact CG2-CD1 3.38Å; I550-L554 HydrophobicContact CG2-CG 4.14Å; I550-L554 WeakPolarHBondContact O-CB 3.39Å; I550-L554 WeakPolarHBondContact O-CD1 3.46Å; I550-L554 WeakPolarHBondContact O-CG 3.28Å; I550-L554 PolarHBondContact O-N 3.31Å; L554-R560 PolarHBondContact O-NH1 2.75Å; L554-R560 PolarHBondContact O-NH2 3.42Å
555N63.7Low71.5Confident143 Ų14335.1 Ų35.177%0.76522%0.224SC*.THydrogen-bonded Turntrans-104.80.9-170.8-62.7-13.7000113.9F553F553-N555 PolarHBondContact O-N 2.97Å; F553-N555 VanDerWaalsContact O-N 3.17Å
556D72.3Confident72Confident40 Ų4033.3 Ų33.321%0.21422%0.215CC..  trans-109.6113.1178-169-68.8000111.8L510 S558 F559 R560L510-D556 HydrophobicContact CD1-CB 4.27Å; L510-D556 HydrophobicContact CD2-CB 3.6Å; L510-D556 VanDerWaalsContact CD2-CG 3.42Å; L510-D556 WeakPolarHBondContact CD2-OD2 3.42Å; L510-D556 HydrophobicContact CG-CB 4.32Å; D556-S558 WeakPolarHBondContact OD1-CA 3.2Å; D556-S558 WeakPolarHBondContact OD1-CB 3.28Å; D556-S558 PolarHBondContact OD1-N 2.69Å; D556-F559 HydrophobicContact CB-CB 4.13Å; D556-F559 WeakPolarHBondContact OD1-CB 3.36Å; D556-F559 PolarHBondContact OD1-N 3.15Å; D556-R560 WeakPolarHBondContact O-CG 3.44Å; D556-R560 PolarHBondContact O-N 3.42Å; D556-R560 PolarHBondContact O-NE 3.13Å
557A71.2Confident72.8Confident11 Ų1131.2 Ų31.29%0.09120%0.2CC..Hα-helixtrans-75.8-30-178.900000113.4G561 E608 L609A557-G561 PolarHBondContact O-N 2.84Å; A557-E608 VanDerWaalsContact CB-C 3.5Å; A557-E608 HydrophobicContact CB-CB 3.44Å; A557-E608 VanDerWaalsContact CB-CB 3.44Å; A557-E608 WeakPolarHBondContact CB-O 3.2Å; A557-L609 HydrophobicContact CB-CD2 4.46Å
558S76Confident73.8Confident35 Ų3528 Ų2825%0.24517%0.167CC..Hα-helixtrans-66.9-49178.5-68.60000111D556 L562D556-S558 WeakPolarHBondContact OD1-CA 3.2Å; D556-S558 WeakPolarHBondContact OD1-CB 3.28Å; D556-S558 PolarHBondContact OD1-N 2.69Å; S558-L562 WeakPolarHBondContact O-CB 3.28Å; S558-L562 VanDerWaalsContact O-CG 3.28Å; S558-L562 WeakPolarHBondContact O-CG 3.37Å; S558-L562 PolarHBondContact O-N 3.26Å
559F80.8Confident74.6Confident3 Ų323.1 Ų23.11%0.01314%0.141CC..Hα-helixtrans-59.5-48.2176.1175.8-95.8000111.5L510 A513 V514 L517 F540 L544 F553 D556 S563L510-F559 HydrophobicContact CD1-CB 4.13Å; L510-F559 HydrophobicContact CD1-CD2 4.29Å; L510-F559 HydrophobicContact CD1-CG 4.1Å; L510-F559 HydrophobicContact CG-CB 4.49Å; A513-F559 HydrophobicContact CB-CD2 3.78Å; A513-F559 HydrophobicContact CB-CE2 3.63Å; V514-F559 HydrophobicContact CG2-CB 4Å; L517-F559 HydrophobicContact CD1-CD2 3.61Å; L517-F559 HydrophobicContact CD1-CE2 3.63Å; L517-F559 HydrophobicContact CD1-CG 4.43Å; L517-F559 HydrophobicContact CD1-CZ 4.45Å; F540-F559 HydrophobicContact CE2-CE2 4.42Å; F540-F559 HydrophobicContact CE2-CZ 4.08Å; F540-F559 AromaticContact CZ-CE2 3.96Å; F540-F559 HydrophobicContact CZ-CE2 3.96Å; F540-F559 AromaticContact CZ-CZ 3.63Å; F540-F559 HydrophobicContact CZ-CZ 3.63Å; L544-F559 HydrophobicContact CD1-CE1 4.14Å; L544-F559 HydrophobicContact CD1-CZ 4.07Å; L544-F559 HydrophobicContact CD2-CE1 3.76Å; L544-F559 HydrophobicContact CD2-CZ 3.7Å; F553-F559 HydrophobicContact CB-CD1 4.04Å; F553-F559 HydrophobicContact CB-CE1 3.79Å; F553-F559 AromaticContact CD1-CD1 3.88Å; F553-F559 HydrophobicContact CD1-CD1 3.88Å; F553-F559 AromaticContact CD1-CE1 3.5Å; F553-F559 HydrophobicContact CD1-CE1 3.5Å; F553-F559 VanDerWaalsContact CD1-CE1 3.5Å; F553-F559 HydrophobicContact CD1-CE2 4.31Å; F553-F559 HydrophobicContact CD1-CG 4.44Å; F553-F559 AromaticContact CD1-CZ 3.74Å; F553-F559 HydrophobicContact CD1-CZ 3.74Å; F553-F559 HydrophobicContact CE1-CE1 4.18Å; F553-F559 HydrophobicContact CE1-CE2 4.32Å; F553-F559 AromaticContact CE1-CZ 3.94Å; F553-F559 HydrophobicContact CE1-CZ 3.94Å; F553-F559 HydrophobicContact CG-CD1 4.27Å; F553-F559 AromaticContact CG-CE1 3.73Å; F553-F559 HydrophobicContact CG-CE1 3.73Å; F553-F559 HydrophobicContact CG-CZ 4.25Å; D556-F559 HydrophobicContact CB-CB 4.13Å; D556-F559 WeakPolarHBondContact OD1-CB 3.36Å; D556-F559 PolarHBondContact OD1-N 3.15Å; F559-S563 WeakPolarHBondContact O-CB 3.03Å; F559-S563 PolarHBondContact O-N 3.03Å; F559-S563 PolarHBondContact O-OG 3.04Å
560R78.2Confident75.7Confident24 Ų2423.4 Ų23.49%0.09114%0.143CC..Hα-helixtrans-66.2-46179.2-74.5-179.1-63.8176.70.3112.4L554 D556 L562 S563 L564 F604 E608L554-R560 PolarHBondContact O-NH1 2.75Å; L554-R560 PolarHBondContact O-NH2 3.42Å; D556-R560 WeakPolarHBondContact O-CG 3.44Å; D556-R560 PolarHBondContact O-N 3.42Å; D556-R560 PolarHBondContact O-NE 3.13Å; R560-L562 PolarHBondContact O-N 2.99Å; R560-S563 PolarHBondContact O-N 3.34Å; R560-L564 WeakPolarHBondContact O-CB 3.32Å; R560-L564 PolarHBondContact O-N 3.34Å; R560-F604 HydrophobicContact CB-CD1 4.43Å; R560-E608 IonicContact CZ-OE2 2.63Å; R560-E608 IonicContact NH2-OE2 2.63Å; R560-E608 PolarHBondContact NH2-OE2 3.13Å
561G79.2Confident76.8Confident0 Ų020.9 Ų20.90%013%0.129CC..Hα-helixtrans-61.4-42.2179.200000112.6A557 S565A557-G561 PolarHBondContact O-N 2.84Å; G561-S565 WeakPolarHBondContact O-CB 3.5Å; G561-S565 PolarHBondContact O-N 3.2Å; G561-S565 PolarHBondContact O-OG 2.78Å
562L84.5Confident77.5Confident1 Ų118.1 Ų18.11%0.00510%0.101CC..Hα-helixtrans-73.1-34.9175.4-66.7171.8000112.7V514 L517 K518 S558 R560 S565 T566 F614 V615 T618V514-L562 HydrophobicContact CG1-CD1 3.82Å; L517-L562 HydrophobicContact CB-CB 3.77Å; L517-L562 HydrophobicContact CD1-CB 4.39Å; K518-L562 HydrophobicContact CB-CD1 4.19Å; S558-L562 WeakPolarHBondContact O-CB 3.28Å; S558-L562 VanDerWaalsContact O-CG 3.28Å; S558-L562 WeakPolarHBondContact O-CG 3.37Å; S558-L562 PolarHBondContact O-N 3.26Å; R560-L562 PolarHBondContact O-N 2.99Å; L562-S565 PolarHBondContact O-N 3.45Å; L562-T566 WeakPolarHBondContact O-CB 3.38Å; L562-T566 PolarHBondContact O-N 3.49Å; L562-T566 PolarHBondContact O-OG1 2.9Å; L562-F614 HydrophobicContact CD2-CE1 4.21Å; L562-V615 HydrophobicContact CG-CG2 4.31Å; L562-T618 HydrophobicContact CD2-CG2 3.87Å
563S85.5Confident77.9Confident2 Ų216.6 Ų16.61%0.0149%0.09CC..Hα-helixtrans-62.3-46.6172.8-66.20000111.1L517 F559 R560 T566 F567L517-S563 WeakPolarHBondContact CD1-OG 3.26Å; F559-S563 WeakPolarHBondContact O-CB 3.03Å; F559-S563 PolarHBondContact O-N 3.03Å; F559-S563 PolarHBondContact O-OG 3.04Å; R560-S563 PolarHBondContact O-N 3.34Å; S563-T566 PolarHBondContact O-N 3.05Å; S563-F567 VanDerWaalsContact O-CB 3.25Å; S563-F567 WeakPolarHBondContact O-CB 3.38Å; S563-F567 PolarHBondContact O-N 2.87Å
564L84.6Confident78.3Confident0 Ų018.2 Ų18.20%010%0.098CC..Hα-helixtrans-60.9-46174.6177.963.7000111R560 T566 F567 I568 Y598 L601 I602 F604 L619R560-L564 WeakPolarHBondContact O-CB 3.32Å; R560-L564 PolarHBondContact O-N 3.34Å; L564-T566 PolarHBondContact O-N 3.07Å; L564-F567 PolarHBondContact O-N 3.16Å; L564-I568 HydrophobicContact CD1-CD1 3.98Å; L564-I568 HydrophobicContact CD1-CG1 4.07Å; L564-I568 HydrophobicContact CD2-CD1 4.42Å; L564-I568 HydrophobicContact CG-CD1 3.87Å; L564-I568 HydrophobicContact CG-CG1 4.37Å; L564-I568 WeakPolarHBondContact O-CG1 3.16Å; L564-I568 PolarHBondContact O-N 3.18Å; L564-Y598 HydrophobicContact CD1-CD2 3.92Å; L564-Y598 HydrophobicContact CD1-CE2 4.05Å; L564-L601 HydrophobicContact CB-CB 4.36Å; L564-L601 HydrophobicContact CD1-CB 3.98Å; L564-I602 HydrophobicContact CD2-CB 4.39Å; L564-I602 HydrophobicContact CD2-CG1 4.23Å; L564-F604 HydrophobicContact CD2-CE1 3.55Å; L564-F604 HydrophobicContact CD2-CZ 3.85Å; L564-L619 HydrophobicContact CB-CD1 4.46Å; L564-L619 HydrophobicContact CD2-CD1 3.87Å; L564-L619 HydrophobicContact CD2-CD2 4.37Å; L564-L619 HydrophobicContact CG-CD1 4.03Å
565S84.8Confident78.9Confident0 Ų016.9 Ų16.90%09%0.089CC..Hα-helixtrans-57.5-50.3177.9-580000110.8G561 L562 F567 I568 I569 L619G561-S565 WeakPolarHBondContact O-CB 3.5Å; G561-S565 PolarHBondContact O-N 3.2Å; G561-S565 PolarHBondContact O-OG 2.78Å; L562-S565 PolarHBondContact O-N 3.45Å; S565-F567 VanDerWaalsContact C-N 3.31Å; S565-F567 PolarHBondContact O-N 3.43Å; S565-I568 PolarHBondContact O-N 2.99Å; S565-I569 WeakPolarHBondContact O-CG1 3.41Å; S565-I569 PolarHBondContact O-N 2.9Å; S565-L619 WeakPolarHBondContact OG-CA 3.32Å; S565-L619 WeakPolarHBondContact OG-CD1 3.39Å
566T86.9Confident79Confident0 Ų014 Ų140%07%0.067CC..Hα-helixtrans-61.8-40.1178.7-52.80000111.4L517 L520 I526 W529 F537 L562 S563 L564 F570L517-T566 HydrophobicContact CD2-CG2 4.49Å; L520-T566 HydrophobicContact CB-CG2 3.8Å; I526-T566 HydrophobicContact CD1-CG2 4.44Å; W529-T566 HydrophobicContact CH2-CG2 3.76Å; W529-T566 HydrophobicContact CZ2-CG2 4.28Å; F537-T566 HydrophobicContact CD2-CG2 4.38Å; F537-T566 HydrophobicContact CE2-CG2 3.6Å; F537-T566 HydrophobicContact CZ-CG2 3.68Å; L562-T566 WeakPolarHBondContact O-CB 3.38Å; L562-T566 PolarHBondContact O-N 3.49Å; L562-T566 PolarHBondContact O-OG1 2.9Å; S563-T566 PolarHBondContact O-N 3.05Å; L564-T566 PolarHBondContact O-N 3.07Å; T566-F570 VanDerWaalsContact O-CB 3.29Å; T566-F570 WeakPolarHBondContact O-CB 3.47Å; T566-F570 PolarHBondContact O-N 3.35Å
567F87.5Confident78.6Confident1 Ų114.5 Ų14.50%0.0047%0.07CC..Hα-helixtrans-64.7-45.1177.9176.9-95000112.8F537 V541 S563 L564 S565 I569 F570 I571 W593 L601F537-F567 HydrophobicContact CE1-CB 4.36Å; F537-F567 HydrophobicContact CE1-CD2 4.3Å; F537-F567 HydrophobicContact CZ-CB 4.21Å; V541-F567 HydrophobicContact CG1-CD2 4.21Å; V541-F567 HydrophobicContact CG1-CE2 4.19Å; V541-F567 HydrophobicContact CG2-CD2 4.06Å; S563-F567 VanDerWaalsContact O-CB 3.25Å; S563-F567 WeakPolarHBondContact O-CB 3.38Å; S563-F567 PolarHBondContact O-N 2.87Å; L564-F567 PolarHBondContact O-N 3.16Å; S565-F567 VanDerWaalsContact C-N 3.31Å; S565-F567 PolarHBondContact O-N 3.43Å; F567-I569 VanDerWaalsContact C-N 3.35Å; F567-I569 PolarHBondContact O-N 3.28Å; F567-F570 WeakPolarHBondContact O-CB 3.26Å; F567-F570 PolarHBondContact O-N 3.28Å; F567-I571 HydrophobicContact CD1-CG1 4.23Å; F567-I571 HydrophobicContact CD2-CG1 4.42Å; F567-I571 HydrophobicContact CE1-CD1 4.47Å; F567-I571 HydrophobicContact CE1-CG1 3.72Å; F567-I571 HydrophobicContact CE2-CD1 4.09Å; F567-I571 HydrophobicContact CE2-CG1 3.96Å; F567-I571 HydrophobicContact CZ-CD1 3.84Å; F567-I571 HydrophobicContact CZ-CG1 3.58Å; F567-I571 WeakPolarHBondContact O-CG1 3.38Å; F567-I571 PolarHBondContact O-N 2.95Å; F567-W593 HydrophobicContact CD2-CH2 4.47Å; F567-W593 AromaticContact CE2-CH2 3.63Å; F567-W593 HydrophobicContact CE2-CH2 3.63Å; F567-W593 HydrophobicContact CE2-CZ2 4.26Å; F567-W593 HydrophobicContact CE2-CZ3 4.03Å; F567-W593 HydrophobicContact CZ-CH2 4.49Å; F567-L601 HydrophobicContact CB-CD1 3.65Å; F567-L601 HydrophobicContact CD1-CD1 4.08Å; F567-L601 HydrophobicContact CD2-CD1 3.97Å; F567-L601 HydrophobicContact CG-CD1 3.62Å
568I83.6Confident78.1Confident1 Ų116 Ų161%0.0058%0.076CC..Hα-helixtrans-58.8-49.6177.9-69.8168.9000109.8L564 S565 F570 I571 V572 L619 T622 L626 I641L564-I568 HydrophobicContact CD1-CD1 3.98Å; L564-I568 HydrophobicContact CD1-CG1 4.07Å; L564-I568 HydrophobicContact CD2-CD1 4.42Å; L564-I568 HydrophobicContact CG-CD1 3.87Å; L564-I568 HydrophobicContact CG-CG1 4.37Å; L564-I568 WeakPolarHBondContact O-CG1 3.16Å; L564-I568 PolarHBondContact O-N 3.18Å; S565-I568 PolarHBondContact O-N 2.99Å; I568-F570 VanDerWaalsContact C-N 3.34Å; I568-F570 PolarHBondContact O-N 3.17Å; I568-I571 PolarHBondContact O-N 3.05Å; I568-V572 WeakPolarHBondContact O-CG2 3.48Å; I568-V572 PolarHBondContact O-N 3.35Å; I568-L619 HydrophobicContact CD1-CD1 4.31Å; I568-T622 HydrophobicContact CB-CG2 3.75Å; I568-T622 HydrophobicContact CD1-CG2 4.4Å; I568-T622 HydrophobicContact CG2-CG2 3.64Å; I568-L626 HydrophobicContact CG2-CB 4.19Å; I568-L626 HydrophobicContact CG2-CD1 4.44Å; I568-L626 HydrophobicContact CG2-CD2 3.9Å; I568-L626 HydrophobicContact CG2-CG 4.43Å; I568-I641 HydrophobicContact CD1-CG2 3.87Å; I568-I641 HydrophobicContact CG1-CG2 4.01Å
569I79.1Confident77Confident1 Ų121.4 Ų21.41%0.0059%0.092CC..Hα-helixtrans-63.5-42.8-180-55.4166.3000110.4S521 I526 S565 F567 I571 V572 C573 T622 Y625S521-I569 VanDerWaalsContact O-CD1 3.23Å; S521-I569 WeakPolarHBondContact O-CD1 3.5Å; I526-I569 HydrophobicContact CB-CG2 3.81Å; I526-I569 HydrophobicContact CD1-CB 3.37Å; I526-I569 HydrophobicContact CD1-CD1 4.22Å; I526-I569 HydrophobicContact CD1-CG1 4.39Å; I526-I569 HydrophobicContact CD1-CG2 3.24Å; I526-I569 HydrophobicContact CG1-CG2 3.99Å; I526-I569 HydrophobicContact CG2-CG2 4.05Å; S565-I569 WeakPolarHBondContact O-CG1 3.41Å; S565-I569 PolarHBondContact O-N 2.9Å; F567-I569 VanDerWaalsContact C-N 3.35Å; F567-I569 PolarHBondContact O-N 3.28Å; I569-I571 PolarHBondContact O-N 2.92Å; I569-V572 PolarHBondContact O-N 3.16Å; I569-C573 WeakPolarHBondContact O-CB 3.44Å; I569-C573 PolarHBondContact O-N 3.13Å; I569-C573 PolarHBondContact O-SG 3.5Å; I569-T622 HydrophobicContact CD1-CG2 4.09Å; I569-T622 HydrophobicContact CG1-CG2 3.53Å; I569-Y625 HydrophobicContact CG2-CE1 4.37Å
570F83.3Confident75.5Confident6 Ų625.8 Ų25.83%0.02612%0.12CC..Hα-helixtrans-54.7-49.8175.9166.3-104.6000112W529 K534 F537 T566 F567 I568 V572 C573 E574 W593W529-F570 AromaticContact CE3-CD2 3.93Å; W529-F570 HydrophobicContact CE3-CD2 3.93Å; W529-F570 HydrophobicContact CZ3-CB 4.09Å; W529-F570 AromaticContact CZ3-CD2 3.6Å; W529-F570 HydrophobicContact CZ3-CD2 3.6Å; W529-F570 HydrophobicContact CZ3-CE2 4.47Å; W529-F570 HydrophobicContact CZ3-CG 4.2Å; K534-F570 HydrophobicContact CB-CE2 3.88Å; K534-F570 HydrophobicContact CG-CE2 3.95Å; F537-F570 HydrophobicContact CD1-CB 3.97Å; F537-F570 AromaticContact CD1-CD1 3.79Å; F537-F570 HydrophobicContact CD1-CD1 3.79Å; F537-F570 AromaticContact CD1-CD2 3.86Å; F537-F570 HydrophobicContact CD1-CD2 3.86Å; F537-F570 HydrophobicContact CD1-CE1 4.23Å; F537-F570 HydrophobicContact CD1-CE2 4.28Å; F537-F570 AromaticContact CD1-CG 3.57Å; F537-F570 HydrophobicContact CD1-CG 3.57Å; F537-F570 HydrophobicContact CD1-CZ 4.46Å; F537-F570 HydrophobicContact CE1-CB 3.68Å; F537-F570 AromaticContact CE1-CD1 3.81Å; F537-F570 HydrophobicContact CE1-CD1 3.81Å; F537-F570 HydrophobicContact CE1-CD2 4.43Å; F537-F570 AromaticContact CE1-CG 3.71Å; F537-F570 HydrophobicContact CE1-CG 3.71Å; T566-F570 VanDerWaalsContact O-CB 3.29Å; T566-F570 WeakPolarHBondContact O-CB 3.47Å; T566-F570 PolarHBondContact O-N 3.35Å; F567-F570 WeakPolarHBondContact O-CB 3.26Å; F567-F570 PolarHBondContact O-N 3.28Å; I568-F570 VanDerWaalsContact C-N 3.34Å; I568-F570 PolarHBondContact O-N 3.17Å; F570-V572 PolarHBondContact O-N 2.73Å; F570-C573 PolarHBondContact O-N 2.87Å; F570-E574 HydrophobicContact CD2-CG 4.17Å; F570-E574 HydrophobicContact CE1-CG 4.25Å; F570-E574 HydrophobicContact CE2-CG 3.68Å; F570-E574 HydrophobicContact CZ-CG 3.72Å; F570-E574 PolarHBondContact O-N 3.11Å; F570-W593 HydrophobicContact CE1-CH2 4.08Å; F570-W593 HydrophobicContact CE1-CZ3 4.18Å
571I81Confident73.9Confident7 Ų727.2 Ų27.24%0.03613%0.133CC..Hα-helixtrans-61-47178.4-70.5-64.5000110.9F567 I568 I569 C573 E574 Y575 W593 A594 L637F567-I571 HydrophobicContact CD1-CG1 4.23Å; F567-I571 HydrophobicContact CD2-CG1 4.42Å; F567-I571 HydrophobicContact CE1-CD1 4.47Å; F567-I571 HydrophobicContact CE1-CG1 3.72Å; F567-I571 HydrophobicContact CE2-CD1 4.09Å; F567-I571 HydrophobicContact CE2-CG1 3.96Å; F567-I571 HydrophobicContact CZ-CD1 3.84Å; F567-I571 HydrophobicContact CZ-CG1 3.58Å; F567-I571 WeakPolarHBondContact O-CG1 3.38Å; F567-I571 PolarHBondContact O-N 2.95Å; I568-I571 PolarHBondContact O-N 3.05Å; I569-I571 PolarHBondContact O-N 2.92Å; I571-C573 VanDerWaalsContact C-N 3.31Å; I571-C573 PolarHBondContact O-N 3.48Å; I571-E574 PolarHBondContact O-N 3.3Å; I571-Y575 HydrophobicContact CG2-CD2 3.89Å; I571-Y575 HydrophobicContact CG2-CE2 3.99Å; I571-Y575 VanDerWaalsContact O-CD2 3.31Å; I571-Y575 WeakPolarHBondContact O-CD2 3.49Å; I571-Y575 PolarHBondContact O-N 3.31Å; I571-Y575 VanDerWaalsContact O-N 3.08Å; I571-W593 HydrophobicContact CD1-CZ3 3.91Å; I571-A594 HydrophobicContact CD1-CB 3.87Å; I571-L637 HydrophobicContact CG2-CD2 3.67Å
572V76.4Confident72.1Confident0 Ų032.5 Ų32.50%017%0.168CC..Hα-helixtrans-56.3-47.2178.3171.90000111.1I568 I569 F570 Y575 R576 Y625 L626 E629 W638I568-V572 WeakPolarHBondContact O-CG2 3.48Å; I568-V572 PolarHBondContact O-N 3.35Å; I569-V572 PolarHBondContact O-N 3.16Å; F570-V572 PolarHBondContact O-N 2.73Å; V572-Y575 PolarHBondContact O-N 3.38Å; V572-R576 PolarHBondContact O-N 3.44Å; V572-Y625 HydrophobicContact CB-CE1 4.28Å; V572-Y625 HydrophobicContact CG1-CE1 3.68Å; V572-L626 HydrophobicContact CG2-CD1 3.31Å; V572-E629 HydrophobicContact CG1-CB 4.07Å; V572-E629 HydrophobicContact CG1-CG 3.82Å; V572-W638 HydrophobicContact CG1-CZ2 4.23Å; V572-W638 HydrophobicContact CG2-CZ2 4.44Å
573C72.8Confident70Confident2 Ų240.3 Ų40.31%0.01420%0.204CC..Hα-helixtrans-69-36.4-178.9-70.70000113.5I526 L527 I569 F570 I571 Y575 R576 N577I526-C573 HydrophobicContact CG2-CB 3.53Å; I526-C573 WeakPolarHBondContact CG2-SG 3.5Å; L527-C573 HydrophobicContact CD2-CB 4.26Å; I569-C573 WeakPolarHBondContact O-CB 3.44Å; I569-C573 PolarHBondContact O-N 3.13Å; I569-C573 PolarHBondContact O-SG 3.5Å; F570-C573 PolarHBondContact O-N 2.87Å; I571-C573 VanDerWaalsContact C-N 3.31Å; I571-C573 PolarHBondContact O-N 3.48Å; C573-Y575 VanDerWaalsContact C-N 3.34Å; C573-R576 PolarHBondContact O-N 3.32Å; C573-N577 PolarHBondContact O-N 2.89Å; C573-N577 VanDerWaalsContact O-N 3.11Å; C573-N577 PolarHBondContact O-ND2 3.32Å
574E72.7Confident68Low40 Ų4042.1 Ų42.119%0.18722%0.216CC..Hα-helixtrans-60.3-45172.9-81.9-62.894.300111.5K534 F570 I571 N578K534-E574 WeakPolarHBondContact CD-OE1 3.23Å; K534-E574 WeakPolarHBondContact CE-OE1 3.14Å; K534-E574 IonicContact NZ-OE1 3.74Å; K534-E574 PolarHBondContact NZ-OE1 3.36Å; F570-E574 HydrophobicContact CD2-CG 4.17Å; F570-E574 HydrophobicContact CE1-CG 4.25Å; F570-E574 HydrophobicContact CE2-CG 3.68Å; F570-E574 HydrophobicContact CZ-CG 3.72Å; F570-E574 PolarHBondContact O-N 3.11Å; I571-E574 PolarHBondContact O-N 3.3Å; E574-N578 PolarHBondContact O-N 2.85Å; E574-N578 PolarHBondContact O-ND2 3.27Å
575Y72.4Confident65.8Low38 Ų3851 Ų5115%0.14926%0.255CS..Hα-helixtrans-66.6-41.2177.2-85.6-82.1000112.3I571 V572 C573 N577 N578 Y579 I635 L637I571-Y575 HydrophobicContact CG2-CD2 3.89Å; I571-Y575 HydrophobicContact CG2-CE2 3.99Å; I571-Y575 VanDerWaalsContact O-CD2 3.31Å; I571-Y575 WeakPolarHBondContact O-CD2 3.49Å; I571-Y575 PolarHBondContact O-N 3.31Å; I571-Y575 VanDerWaalsContact O-N 3.08Å; V572-Y575 PolarHBondContact O-N 3.38Å; C573-Y575 VanDerWaalsContact C-N 3.34Å; Y575-N577 PolarHBondContact O-N 2.63Å; Y575-N578 PolarHBondContact O-N 2.95Å; Y575-Y579 WeakPolarHBondContact O-CD2 3.5Å; Y575-Y579 PolarHBondContact O-N 3.41Å; Y575-I635 HydrophobicContact CD1-CD1 3.61Å; Y575-I635 HydrophobicContact CE1-CD1 4.33Å; Y575-I635 HydrophobicContact CG-CD1 3.81Å; Y575-L637 HydrophobicContact CE2-CD2 4.11Å
576R67Low63.9Low82 Ų8257.9 Ų57.931%0.30929%0.287SS..Hα-helixtrans-60.9-41178.2-169.4174.4175.4179.9-0.8112.8V572 C573 N578 Y579 T580V572-R576 PolarHBondContact O-N 3.44Å; C573-R576 PolarHBondContact O-N 3.32Å; R576-N578 VanDerWaalsContact C-N 3.27Å; R576-N578 PolarHBondContact O-N 3.18Å; R576-Y579 PolarHBondContact O-N 2.9Å; R576-Y579 VanDerWaalsContact O-N 3.15Å; R576-T580 PolarHBondContact O-N 3.16Å; R576-T580 PolarHBondContact O-OG1 2.91Å
577N63.5Low62Low50 Ų5063.6 Ų63.627%0.26731%0.313SS..Hα-helixtrans-62.5-33.9178.4-77.4-41.5000112.8K534 C573 Y575 Y579 T580 S581K534-N577 PolarHBondContact NZ-ND2 3.33Å; K534-N577 VanDerWaalsContact NZ-ND2 3.11Å; C573-N577 PolarHBondContact O-N 2.89Å; C573-N577 VanDerWaalsContact O-N 3.11Å; C573-N577 PolarHBondContact O-ND2 3.32Å; Y575-N577 PolarHBondContact O-N 2.63Å; N577-Y579 VanDerWaalsContact C-N 3.3Å; N577-Y579 PolarHBondContact O-N 2.88Å; N577-T580 PolarHBondContact O-N 2.94Å; N577-T580 PolarHBondContact O-OG1 3.49Å; N577-S581 PolarHBondContact O-N 2.77Å; N577-S581 VanDerWaalsContact O-N 3.1Å
578N59.8Low60.4Low44 Ų4469 Ų6924%0.23535%0.347CS..Hα-helixtrans-69.8-25.3176.9-69.2-33.8000113.2E574 Y575 R576 S584E574-N578 PolarHBondContact O-N 2.85Å; E574-N578 PolarHBondContact O-ND2 3.27Å; Y575-N578 PolarHBondContact O-N 2.95Å; R576-N578 VanDerWaalsContact C-N 3.27Å; R576-N578 PolarHBondContact O-N 3.18Å; N578-S584 PolarHBondContact OD1-O 3.08Å; N578-S584 PolarHBondContact OD1-OG 2.88Å
579Y54.4Low59.3Low147 Ų14771.7 Ų71.758%0.57636%0.357SS*.Hα-helixtrans-83.7-30.4176.4-82.4-79.5000113.3Y575 R576 N577 Y633 I635Y575-Y579 WeakPolarHBondContact O-CD2 3.5Å; Y575-Y579 PolarHBondContact O-N 3.41Å; R576-Y579 PolarHBondContact O-N 2.9Å; R576-Y579 VanDerWaalsContact O-N 3.15Å; N577-Y579 VanDerWaalsContact C-N 3.3Å; N577-Y579 PolarHBondContact O-N 2.88Å; Y579-Y633 HydrophobicContact CD2-CD1 4.22Å; Y579-Y633 HydrophobicContact CD2-CE1 4.48Å; Y579-Y633 HydrophobicContact CE2-CD1 4.43Å; Y579-Y633 HydrophobicContact CG-CD1 4.27Å; Y579-Y633 HydrophobicContact CG-CE1 4.23Å; Y579-I635 HydrophobicContact CE2-CD1 4.3Å
580T49Very low58.9Low96 Ų9674.8 Ų74.859%0.58938%0.379SS*.Hα-helixtrans-92.4-21.1-176.951.70000114R576 N577R576-T580 PolarHBondContact O-N 3.16Å; R576-T580 PolarHBondContact O-OG1 2.91Å; N577-T580 PolarHBondContact O-N 2.94Å; N577-T580 PolarHBondContact O-OG1 3.49Å
581S44.1Very low58.4Low54 Ų5477.6 Ų77.638%0.37840%0.399SS..  trans-132.6100176.5-178.30000110.6N577 H583 S584N577-S581 PolarHBondContact O-N 2.77Å; N577-S581 VanDerWaalsContact O-N 3.1Å; S581-H583 PolarHBondContact O-N 3.49Å; S581-S584 PolarHBondContact O-N 3.05Å; S581-S584 VanDerWaalsContact O-N 3.08Å; S581-S584 PolarHBondContact O-OG 3.04Å; S581-S584 VanDerWaalsContact O-OG 3.12Å
582P42.2Very low58.3Low111 Ų11184.6 Ų84.672%0.72143%0.432SS*.THydrogen-bonded Turntrans-65.5-1.1178.726.5-32.7000113.5
583H39.2Very low58.6Low165 Ų16586.3 Ų86.376%0.76444%0.438SS*.THydrogen-bonded Turntrans-97.9-1.5175.9-65.3-37.5000114.2S581 K585S581-H583 PolarHBondContact O-N 3.49Å; H583-K585 PolarHBondContact O-N 2.96Å
584S42.8Very low58.9Low39 Ų3986.3 Ų86.327%0.27344%0.439SS..  trans-76.571.9167.9620000110.7N578 S581 H586N578-S584 PolarHBondContact OD1-O 3.08Å; N578-S584 PolarHBondContact OD1-OG 2.88Å; S581-S584 PolarHBondContact O-N 3.05Å; S581-S584 VanDerWaalsContact O-N 3.08Å; S581-S584 PolarHBondContact O-OG 3.04Å; S581-S584 VanDerWaalsContact O-OG 3.12Å; S584-H586 PolarHBondContact O-N 3.06Å
585K40.2Very low59.3Low188 Ų18887.7 Ų87.782%0.81744%0.442SS*.  trans-66.411.4173.4-82.2-174.4174.7-179.50114.5H583 Q587H583-K585 PolarHBondContact O-N 2.96Å; K585-Q587 PolarHBondContact O-N 3.11Å
586H43.5Very low59.8Low144 Ų14492.9 Ų92.967%0.66747%0.465SS*.  trans-102.856.2-178.5-65.5-60.7000111.3S584 T588S584-H586 PolarHBondContact O-N 3.06Å; H586-T588 PolarHBondContact O-N 3.04Å
587Q48.4Very low60.6Low119 Ų11989 Ų8956%0.55645%0.451SS*.  trans-73.681.5146.3-95.2-169.6-16.300106.9K585 R589K585-Q587 PolarHBondContact O-N 3.11Å; Q587-R589 PolarHBondContact O-N 2.65Å
588T52.1Low61.5Low116 Ų11686.6 Ų86.671%0.71244%0.438SS*.  trans-71.6-8.8168.622.70000112.1H586H586-T588 PolarHBondContact O-N 3.04Å
589R62.3Low62.5Low56 Ų5688.9 Ų88.921%0.21145%0.45CS..SBendtrans-128.3130.7-168.6-58.5-164.3162.9-139.4-21.6112.2S538 D542 Q587 W593S538-R589 VanDerWaalsContact C-NH1 3.3Å; S538-R589 PolarHBondContact O-NH1 3.41Å; S538-R589 PolarHBondContact O-NH2 3.43Å; S538-R589 PolarHBondContact OG-NE 3.11Å; S538-R589 PolarHBondContact OG-NH1 2.94Å; S538-R589 VanDerWaalsContact OG-NH1 3.11Å; D542-R589 IonicContact OD1-NH1 3.96Å; D542-R589 IonicContact OD2-CZ 3.37Å; D542-R589 IonicContact OD2-NH1 3.25Å; D542-R589 PolarHBondContact OD2-NH1 3.31Å; D542-R589 IonicContact OD2-NH2 3.48Å; D542-R589 PolarHBondContact OD2-NH2 3.33Å; Q587-R589 PolarHBondContact O-N 2.65Å; R589-W593 HydrophobicContact CB-CD2 4.33Å; R589-W593 HydrophobicContact CB-CE3 3.84Å; R589-W593 HydrophobicContact CB-CZ3 4.44Å; R589-W593 HydrophobicContact CG-CE3 4.27Å
590S70.4Confident63.6Low66 Ų6684.6 Ų84.646%0.46243%0.433SS..  trans-75.8154.7179.663.80000111.2E592 W593 A594S590-E592 PolarHBondContact O-N 2.78Å; S590-W593 WeakPolarHBondContact O-CB 2.94Å; S590-W593 PolarHBondContact O-N 3.5Å; S590-W593 VanDerWaalsContact O-N 3.07Å; S590-W593 PolarHBondContact OG-N 3.26Å; S590-A594 PolarHBondContact O-N 2.97Å
591S72.2Confident64.9Low66 Ų6680.3 Ų80.346%0.46241%0.407SS..Hα-helixtrans-54.6-34.8170.3-43.30000111.5A594 W595S591-A594 PolarHBondContact O-N 3.43Å; S591-W595 PolarHBondContact O-N 3.47Å
592E78.2Confident66.5Low153 Ų15378.3 Ų78.372%0.71539%0.392SS*.Hα-helixtrans-61.7-41176.3-172180-177.400112.9S590 A594 W595 K596S590-E592 PolarHBondContact O-N 2.78Å; E592-A594 VanDerWaalsContact C-N 3.34Å; E592-A594 PolarHBondContact O-N 3.29Å; E592-W595 PolarHBondContact O-N 3.11Å; E592-K596 WeakPolarHBondContact O-CB 3.11Å; E592-K596 PolarHBondContact O-N 3.45Å
593W84.2Confident67.9Low36 Ų3678.2 Ų78.214%0.13639%0.385CS..Hα-helixtrans-61.6-44.3174.1172.884000111.5V541 D542 F567 F570 I571 R589 S590 W595 K596 S597V541-W593 HydrophobicContact CB-CZ2 4.08Å; V541-W593 HydrophobicContact CG1-CH2 4.35Å; V541-W593 HydrophobicContact CG1-CZ2 3.7Å; D542-W593 PolarHBondContact OD1-NE1 3.03Å; F567-W593 HydrophobicContact CD2-CH2 4.47Å; F567-W593 AromaticContact CE2-CH2 3.63Å; F567-W593 HydrophobicContact CE2-CH2 3.63Å; F567-W593 HydrophobicContact CE2-CZ2 4.26Å; F567-W593 HydrophobicContact CE2-CZ3 4.03Å; F567-W593 HydrophobicContact CZ-CH2 4.49Å; F570-W593 HydrophobicContact CE1-CH2 4.08Å; F570-W593 HydrophobicContact CE1-CZ3 4.18Å; I571-W593 HydrophobicContact CD1-CZ3 3.91Å; R589-W593 HydrophobicContact CB-CD2 4.33Å; R589-W593 HydrophobicContact CB-CE3 3.84Å; R589-W593 HydrophobicContact CB-CZ3 4.44Å; R589-W593 HydrophobicContact CG-CE3 4.27Å; S590-W593 WeakPolarHBondContact O-CB 2.94Å; S590-W593 PolarHBondContact O-N 3.5Å; S590-W593 VanDerWaalsContact O-N 3.07Å; S590-W593 PolarHBondContact OG-N 3.26Å; W593-W595 VanDerWaalsContact C-N 3.35Å; W593-W595 PolarHBondContact O-N 3Å; W593-K596 PolarHBondContact O-N 3.45Å; W593-S597 WeakPolarHBondContact CZ2-OG 3.29Å; W593-S597 PolarHBondContact NE1-OG 2.89Å; W593-S597 WeakPolarHBondContact O-CB 3.47Å; W593-S597 PolarHBondContact O-N 3.03Å; W593-S597 PolarHBondContact O-OG 3.18Å
594A79Confident69.1Low3 Ų370.9 Ų70.93%0.02535%0.351CS..Hα-helixtrans-64.1-41.2-179.900000111.7I571 S590 S591 E592 Y598 L637I571-A594 HydrophobicContact CD1-CB 3.87Å; S590-A594 PolarHBondContact O-N 2.97Å; S591-A594 PolarHBondContact O-N 3.43Å; E592-A594 VanDerWaalsContact C-N 3.34Å; E592-A594 PolarHBondContact O-N 3.29Å; A594-Y598 WeakPolarHBondContact O-CB 3.4Å; A594-Y598 PolarHBondContact O-N 3.34Å; A594-L637 HydrophobicContact CB-CD2 3.79Å
595W81Confident69.9Low69 Ų6973.5 Ų73.526%0.26136%0.362SS..Hα-helixtrans-60-53.8173.9-78.9118.4000112.3S591 E592 W593 S597 Y598 D599 L637 N640S591-W595 PolarHBondContact O-N 3.47Å; E592-W595 PolarHBondContact O-N 3.11Å; W593-W595 VanDerWaalsContact C-N 3.35Å; W593-W595 PolarHBondContact O-N 3Å; W595-S597 VanDerWaalsContact C-N 3.27Å; W595-S597 PolarHBondContact O-N 3.47Å; W595-Y598 WeakPolarHBondContact O-CB 3.32Å; W595-Y598 PolarHBondContact O-N 2.95Å; W595-Y598 VanDerWaalsContact O-N 3.16Å; W595-D599 PolarHBondContact O-N 2.92Å; W595-L637 HydrophobicContact CD2-CD1 3.6Å; W595-L637 HydrophobicContact CE3-CD1 3.59Å; W595-L637 HydrophobicContact CG-CD1 4.28Å; W595-L637 HydrophobicContact CH2-CB 4.4Å; W595-L637 HydrophobicContact CH2-CD1 3.71Å; W595-L637 HydrophobicContact CZ2-CB 4.14Å; W595-L637 HydrophobicContact CZ2-CD1 3.79Å; W595-L637 HydrophobicContact CZ3-CD1 3.58Å; W595-N640 HydrophobicContact CH2-CB 3.16Å; W595-N640 WeakPolarHBondContact CH2-ND2 3.35Å; W595-N640 HydrophobicContact CZ2-CB 4.41Å; W595-N640 HydrophobicContact CZ3-CB 3.43Å; W595-N640 VanDerWaalsContact CZ3-CB 3.43Å; W595-N640 VanDerWaalsContact CZ3-CG 3.42Å; W595-N640 WeakPolarHBondContact CZ3-ND2 3.36Å
596K82.6Confident70.6Confident147 Ų14765 Ų6564%0.63933%0.325SS*.Hα-helixtrans-60.8-39.2-177.6-171.1178.7177.9-177.30112.1M545 E592 W593 Y600M545-K596 HydrophobicContact SD-CG 4.32Å; E592-K596 WeakPolarHBondContact O-CB 3.11Å; E592-K596 PolarHBondContact O-N 3.45Å; W593-K596 PolarHBondContact O-N 3.45Å; K596-Y600 WeakPolarHBondContact O-CB 3.28Å; K596-Y600 PolarHBondContact O-N 2.86Å; K596-Y600 VanDerWaalsContact O-N 3.17Å
597S83.5Confident71.2Confident0 Ų064.8 Ų64.80%033%0.326CS..Hα-helixtrans-65.8-43176.9-56.30000112M545 W593 W595 L601M545-S597 WeakPolarHBondContact CE-OG 3.25Å; M545-S597 WeakPolarHBondContact SD-CA 3.37Å; W593-S597 WeakPolarHBondContact CZ2-OG 3.29Å; W593-S597 PolarHBondContact NE1-OG 2.89Å; W593-S597 WeakPolarHBondContact O-CB 3.47Å; W593-S597 PolarHBondContact O-N 3.03Å; W593-S597 PolarHBondContact O-OG 3.18Å; W595-S597 VanDerWaalsContact C-N 3.27Å; W595-S597 PolarHBondContact O-N 3.47Å; S597-L601 WeakPolarHBondContact O-CB 3.46Å; S597-L601 VanDerWaalsContact O-CG 3.3Å; S597-L601 WeakPolarHBondContact O-CG 3.31Å; S597-L601 PolarHBondContact O-N 3.07Å
598Y83.2Confident71.6Confident0 Ų062 Ų620%031%0.313CS..Hα-helixtrans-62.6-51.7175.6171.9-104.1000112.2L564 A594 W595 Y600 L601 I602 I641 S644L564-Y598 HydrophobicContact CD1-CD2 3.92Å; L564-Y598 HydrophobicContact CD1-CE2 4.05Å; A594-Y598 WeakPolarHBondContact O-CB 3.4Å; A594-Y598 PolarHBondContact O-N 3.34Å; W595-Y598 WeakPolarHBondContact O-CB 3.32Å; W595-Y598 PolarHBondContact O-N 2.95Å; W595-Y598 VanDerWaalsContact O-N 3.16Å; Y598-Y600 PolarHBondContact O-N 3.31Å; Y598-L601 PolarHBondContact O-N 2.68Å; Y598-L601 VanDerWaalsContact O-N 3.11Å; Y598-I602 HydrophobicContact CE1-CD1 4.26Å; Y598-I602 HydrophobicContact CE1-CG2 4.23Å; Y598-I602 HydrophobicContact CE2-CB 4.23Å; Y598-I602 HydrophobicContact CE2-CD1 3.8Å; Y598-I602 VanDerWaalsContact CZ-CD1 3.41Å; Y598-I602 WeakPolarHBondContact O-CG2 3.34Å; Y598-I602 PolarHBondContact O-N 3.41Å; Y598-I602 WeakPolarHBondContact OH-CD1 3.36Å; Y598-I641 HydrophobicContact CD1-CG1 4.3Å; Y598-I641 HydrophobicContact CD2-CD1 4.25Å; Y598-I641 HydrophobicContact CD2-CG1 3.73Å; Y598-I641 HydrophobicContact CD2-CG2 4.38Å; Y598-I641 HydrophobicContact CE1-CG1 4.23Å; Y598-I641 HydrophobicContact CE2-CB 4.03Å; Y598-I641 HydrophobicContact CE2-CG1 3.67Å; Y598-I641 HydrophobicContact CE2-CG2 3.71Å; Y598-I641 HydrophobicContact CG-CG1 4.02Å; Y598-I641 WeakPolarHBondContact OH-CA 3.42Å; Y598-I641 PolarHBondContact OH-O 3.38Å; Y598-I641 VanDerWaalsContact OH-O 3.09Å; Y598-S644 WeakPolarHBondContact OH-CB 3.49Å
599D79.8Confident71.8Confident91 Ų9156.5 Ų56.549%0.48728%0.279SS..Hα-helixtrans-57.7-34.1-178-73.2-17.2000111.5W595W595-D599 PolarHBondContact O-N 2.92Å
600Y77.8Confident71.6Confident57 Ų5755.8 Ų55.822%0.22428%0.282CS..Hα-helixtrans-69.7-55.4172.8175.9-108.6000112.7L544 M545 I550 K596 Y598 I602 N603L544-Y600 HydrophobicContact CB-CE1 4.1Å; L544-Y600 VanDerWaalsContact O-CE1 3.24Å; L544-Y600 WeakPolarHBondContact O-CE1 3.35Å; L544-Y600 PolarHBondContact O-OH 2.75Å; M545-Y600 HydrophobicContact CB-CD1 4.44Å; M545-Y600 HydrophobicContact CG-CD1 3.62Å; M545-Y600 HydrophobicContact CG-CE1 4.28Å; M545-Y600 HydrophobicContact CG-CG 3.95Å; I550-Y600 WeakPolarHBondContact CA-OH 3.48Å; I550-Y600 HydrophobicContact CD1-CE2 4.2Å; I550-Y600 HydrophobicContact CG1-CE2 3.62Å; K596-Y600 WeakPolarHBondContact O-CB 3.28Å; K596-Y600 PolarHBondContact O-N 2.86Å; K596-Y600 VanDerWaalsContact O-N 3.17Å; Y598-Y600 PolarHBondContact O-N 3.31Å; Y600-I602 PolarHBondContact O-N 3.22Å; Y600-N603 WeakPolarHBondContact O-CB 3.05Å; Y600-N603 PolarHBondContact O-N 3.24Å
601L76.9Confident70.9Confident6 Ų660.7 Ų60.73%0.03130%0.297CS..Hα-helixtrans-65-27-174.3-71173.1000113.1L544 L564 F567 S597 Y598 N603 F604L544-L601 HydrophobicContact CD1-CD2 4.21Å; L564-L601 HydrophobicContact CB-CB 4.36Å; L564-L601 HydrophobicContact CD1-CB 3.98Å; F567-L601 HydrophobicContact CB-CD1 3.65Å; F567-L601 HydrophobicContact CD1-CD1 4.08Å; F567-L601 HydrophobicContact CD2-CD1 3.97Å; F567-L601 HydrophobicContact CG-CD1 3.62Å; S597-L601 WeakPolarHBondContact O-CB 3.46Å; S597-L601 VanDerWaalsContact O-CG 3.3Å; S597-L601 WeakPolarHBondContact O-CG 3.31Å; S597-L601 PolarHBondContact O-N 3.07Å; Y598-L601 PolarHBondContact O-N 2.68Å; Y598-L601 VanDerWaalsContact O-N 3.11Å; L601-N603 VanDerWaalsContact C-N 3.28Å; L601-N603 PolarHBondContact O-N 3.11Å; L601-F604 VanDerWaalsContact O-CD1 3.23Å; L601-F604 WeakPolarHBondContact O-CD1 3.3Å; L601-F604 WeakPolarHBondContact O-CE1 3.43Å
602I76.5Confident70.4Confident12 Ų1259.1 Ų59.16%0.06229%0.286CS..THydrogen-bonded Turntrans-79.9-6.8177.1-160.6160.3000113.6L564 Y598 Y600 F604 V645 K648L564-I602 HydrophobicContact CD2-CB 4.39Å; L564-I602 HydrophobicContact CD2-CG1 4.23Å; Y598-I602 HydrophobicContact CE1-CD1 4.26Å; Y598-I602 HydrophobicContact CE1-CG2 4.23Å; Y598-I602 HydrophobicContact CE2-CB 4.23Å; Y598-I602 HydrophobicContact CE2-CD1 3.8Å; Y598-I602 VanDerWaalsContact CZ-CD1 3.41Å; Y598-I602 WeakPolarHBondContact O-CG2 3.34Å; Y598-I602 PolarHBondContact O-N 3.41Å; Y598-I602 WeakPolarHBondContact OH-CD1 3.36Å; Y600-I602 PolarHBondContact O-N 3.22Å; I602-F604 HydrophobicContact CG1-CE1 4.23Å; I602-F604 HydrophobicContact CG1-CZ 4Å; I602-F604 PolarHBondContact O-N 3.45Å; I602-V645 HydrophobicContact CD1-CB 4.46Å; I602-V645 HydrophobicContact CD1-CG2 3.52Å; I602-K648 HydrophobicContact CD1-CD 4.33Å; I602-K648 HydrophobicContact CG1-CD 4.04Å; I602-K648 PolarHBondContact O-NZ 2.85Å
603N71.2Confident69.8Low109 Ų10959.9 Ų59.958%0.58329%0.287SS*.  trans-84.554.6-175.9-160.733.1000113.5Y600 L601Y600-N603 WeakPolarHBondContact O-CB 3.05Å; Y600-N603 PolarHBondContact O-N 3.24Å; L601-N603 VanDerWaalsContact C-N 3.28Å; L601-N603 PolarHBondContact O-N 3.11Å
604F64.9Low69Low12 Ų1262.4 Ų62.45%0.05330%0.299CS..SBendtrans-101.4153.4172.243.5-105.2000112.3R560 L564 L601 I602 L606 L609 L619R560-F604 HydrophobicContact CB-CD1 4.43Å; L564-F604 HydrophobicContact CD2-CE1 3.55Å; L564-F604 HydrophobicContact CD2-CZ 3.85Å; L601-F604 VanDerWaalsContact O-CD1 3.23Å; L601-F604 WeakPolarHBondContact O-CD1 3.3Å; L601-F604 WeakPolarHBondContact O-CE1 3.43Å; I602-F604 HydrophobicContact CG1-CE1 4.23Å; I602-F604 HydrophobicContact CG1-CZ 4Å; I602-F604 PolarHBondContact O-N 3.45Å; F604-L606 HydrophobicContact CD2-CD2 4.41Å; F604-L606 HydrophobicContact CD2-CG 4.09Å; F604-L606 HydrophobicContact CE2-CD2 3.86Å; F604-L606 HydrophobicContact CE2-CG 3.95Å; F604-L606 PolarHBondContact O-N 3.39Å; F604-L609 HydrophobicContact CD1-CD1 4.46Å; F604-L609 HydrophobicContact CD2-CD1 3.26Å; F604-L609 HydrophobicContact CD2-CG 4.03Å; F604-L609 HydrophobicContact CE1-CD1 4.26Å; F604-L609 HydrophobicContact CE2-CD1 3.05Å; F604-L609 HydrophobicContact CE2-CG 4.26Å; F604-L609 HydrophobicContact CG-CD1 4.01Å; F604-L609 HydrophobicContact CZ-CD1 3.59Å; F604-L619 HydrophobicContact CZ-CD2 4.46Å
605D59.9Low68.7Low93 Ų9362.3 Ų62.350%0.49730%0.298SS..  trans-70.9120.9165.8-165-22.7000108.4M607 E608D605-M607 VanDerWaalsContact C-N 3.27Å; D605-M607 PolarHBondContact O-N 2.73Å; D605-M607 PolarHBondContact OD1-N 2.96Å; D605-E608 HydrophobicContact CB-CG 4.09Å; D605-E608 PolarHBondContact O-N 3.41Å
606L55.6Low68.3Low9 Ų959 Ų595%0.04729%0.286CS..Hα-helixtrans-72.9-20.8-174.2-82.7139.2000112.8F604 E608 L609 T610 K648 W649 N652F604-L606 HydrophobicContact CD2-CD2 4.41Å; F604-L606 HydrophobicContact CD2-CG 4.09Å; F604-L606 HydrophobicContact CE2-CD2 3.86Å; F604-L606 HydrophobicContact CE2-CG 3.95Å; F604-L606 PolarHBondContact O-N 3.39Å; L606-E608 PolarHBondContact O-N 3.45Å; L606-L609 HydrophobicContact CD2-CD1 4.13Å; L606-L609 PolarHBondContact O-N 2.91Å; L606-T610 PolarHBondContact O-N 3.26Å; L606-K648 HydrophobicContact CD1-CB 3.66Å; L606-K648 HydrophobicContact CD1-CD 4.01Å; L606-K648 HydrophobicContact CD1-CG 3.86Å; L606-W649 VanDerWaalsContact CD2-CD1 3.41Å; L606-N652 HydrophobicContact CB-CB 4.49Å; L606-N652 HydrophobicContact CD1-CB 4.26Å; L606-N652 VanDerWaalsContact CD1-ND2 3.27Å; L606-N652 WeakPolarHBondContact CD1-ND2 3.48Å
607M56.1Low67.8Low140 Ų14055.1 Ų55.169%0.6927%0.269SS*.Hα-helixtrans-58-42.3171.4-75.9-89.3-74.600110.4D605 L609 T610D605-M607 VanDerWaalsContact C-N 3.27Å; D605-M607 PolarHBondContact O-N 2.73Å; D605-M607 PolarHBondContact OD1-N 2.96Å; M607-L609 VanDerWaalsContact C-N 3.34Å; M607-L609 PolarHBondContact O-N 2.96Å; M607-T610 PolarHBondContact O-N 2.86Å; M607-T610 VanDerWaalsContact O-N 3.17Å; M607-T610 PolarHBondContact O-OG1 2.9Å
608E57Low67.5Low60 Ų6055.9 Ų55.928%0.2827%0.273SS..Hα-helixtrans-70.2-26.9-178.4-55.2173.9159.900112.7A557 R560 D605 L606 T610A557-E608 VanDerWaalsContact CB-C 3.5Å; A557-E608 HydrophobicContact CB-CB 3.44Å; A557-E608 VanDerWaalsContact CB-CB 3.44Å; A557-E608 WeakPolarHBondContact CB-O 3.2Å; R560-E608 IonicContact CZ-OE2 2.63Å; R560-E608 IonicContact NH2-OE2 2.63Å; R560-E608 PolarHBondContact NH2-OE2 3.13Å; D605-E608 HydrophobicContact CB-CG 4.09Å; D605-E608 PolarHBondContact O-N 3.41Å; L606-E608 PolarHBondContact O-N 3.45Å; E608-T610 VanDerWaalsContact C-N 3.3Å; E608-T610 PolarHBondContact O-N 3.49Å
609L55.6Low67.3Low1 Ų155.9 Ų55.91%0.00527%0.274CS..Hα-helixtrans-71.8-24173.9-84176.5000113.4A557 F604 L606 M607 E611 V615 S616 L619A557-L609 HydrophobicContact CB-CD2 4.46Å; F604-L609 HydrophobicContact CD1-CD1 4.46Å; F604-L609 HydrophobicContact CD2-CD1 3.26Å; F604-L609 HydrophobicContact CD2-CG 4.03Å; F604-L609 HydrophobicContact CE1-CD1 4.26Å; F604-L609 HydrophobicContact CE2-CD1 3.05Å; F604-L609 HydrophobicContact CE2-CG 4.26Å; F604-L609 HydrophobicContact CG-CD1 4.01Å; F604-L609 HydrophobicContact CZ-CD1 3.59Å; L606-L609 HydrophobicContact CD2-CD1 4.13Å; L606-L609 PolarHBondContact O-N 2.91Å; M607-L609 VanDerWaalsContact C-N 3.34Å; M607-L609 PolarHBondContact O-N 2.96Å; L609-E611 VanDerWaalsContact C-N 3.29Å; L609-V615 HydrophobicContact CD2-CG1 3.63Å; L609-S616 PolarHBondContact O-OG 2.99Å; L609-L619 HydrophobicContact CD1-CD2 4.44Å
610T57.9Low67.1Low42 Ų4252.2 Ų52.226%0.25825%0.253SS..Hα-helixtrans-75.7-21.8179.865.90000113.2L606 M607 E608 S612 L653 Y657L606-T610 PolarHBondContact O-N 3.26Å; M607-T610 PolarHBondContact O-N 2.86Å; M607-T610 VanDerWaalsContact O-N 3.17Å; M607-T610 PolarHBondContact O-OG1 2.9Å; E608-T610 VanDerWaalsContact C-N 3.3Å; E608-T610 PolarHBondContact O-N 3.49Å; T610-S612 PolarHBondContact O-N 3.33Å; T610-L653 HydrophobicContact CG2-CD1 4.12Å; T610-L653 HydrophobicContact CG2-CD2 3.18Å; T610-L653 HydrophobicContact CG2-CG 4.27Å; T610-Y657 WeakPolarHBondContact CA-OH 3.31Å; T610-Y657 HydrophobicContact CG2-CE1 3.94Å; T610-Y657 HydrophobicContact CG2-CE2 4.4Å; T610-Y657 PolarHBondContact O-OH 3.48Å
611E55Low67.1Low169 Ų16953.7 Ų53.779%0.7927%0.265SS*.SBendtrans-64.2-30.2177.5-63.2-173.9162.500111.3L609L609-E611 VanDerWaalsContact C-N 3.29Å
612S63.1Low67.2Low32 Ų3253.7 Ų53.722%0.22427%0.265CS..  trans-111.391.9175.4-172.80000112T610 F614 V615 S616T610-S612 PolarHBondContact O-N 3.33Å; S612-F614 PolarHBondContact O-N 3.16Å; S612-V615 PolarHBondContact O-N 2.83Å; S612-V615 VanDerWaalsContact OG-CG2 3.28Å; S612-V615 WeakPolarHBondContact OG-CG2 3.34Å; S612-V615 PolarHBondContact OG-N 2.87Å; S612-S616 PolarHBondContact O-N 3.34Å; S612-S616 VanDerWaalsContact O-N 3.1Å
613K65.7Low67.3Low169 Ų16953.1 Ų53.174%0.73526%0.262SS*.Hα-helixtrans-48.9-34.6171.6-75.6-176.2-179.2174.70112.3K617K613-K617 VanDerWaalsContact O-CB 3.28Å; K613-K617 WeakPolarHBondContact O-CB 3.24Å; K613-K617 PolarHBondContact O-N 2.84Å
614F67.1Low67.7Low89 Ų8952.2 Ų52.239%0.3925%0.253SS..Hα-helixtrans-65-46.9178.4174.4-96.5000112.6K518 L562 S612 K617 T618K518-F614 HydrophobicContact CD-CE1 3.63Å; K518-F614 HydrophobicContact CD-CZ 3.7Å; K518-F614 HydrophobicContact CG-CE1 3.78Å; K518-F614 HydrophobicContact CG-CZ 3.67Å; L562-F614 HydrophobicContact CD2-CE1 4.21Å; S612-F614 PolarHBondContact O-N 3.16Å; F614-K617 PolarHBondContact O-N 3.34Å; F614-T618 WeakPolarHBondContact CZ-OG1 3.4Å; F614-T618 WeakPolarHBondContact O-CB 3.37Å; F614-T618 PolarHBondContact O-N 3.02Å; F614-T618 PolarHBondContact O-OG1 3.47Å
615V72.8Confident68.4Low2 Ų252.1 Ų52.11%0.01225%0.252CS..Hα-helixtrans-67.4-45.2-178.9176.70000109.7L562 L609 S612 K617 T618 L619L562-V615 HydrophobicContact CG-CG2 4.31Å; L609-V615 HydrophobicContact CD2-CG1 3.63Å; S612-V615 PolarHBondContact O-N 2.83Å; S612-V615 VanDerWaalsContact OG-CG2 3.28Å; S612-V615 WeakPolarHBondContact OG-CG2 3.34Å; S612-V615 PolarHBondContact OG-N 2.87Å; V615-K617 VanDerWaalsContact C-N 3.29Å; V615-K617 PolarHBondContact O-N 3.1Å; V615-T618 PolarHBondContact O-N 3.44Å; V615-T618 VanDerWaalsContact O-N 3.13Å; V615-L619 WeakPolarHBondContact O-CB 3.36Å; V615-L619 PolarHBondContact O-N 3.17Å
616S72.7Confident69.4Low0 Ų047.7 Ų47.70%023%0.229CC..Hα-helixtrans-55.4-44.1173.8-78.10000112.1L609 S612 W620L609-S616 PolarHBondContact O-OG 2.99Å; S612-S616 PolarHBondContact O-N 3.34Å; S612-S616 VanDerWaalsContact O-N 3.1Å; S616-W620 WeakPolarHBondContact O-CB 3.14Å; S616-W620 PolarHBondContact O-N 3.3Å
617K72.3Confident70.6Confident64 Ų6450.6 Ų50.628%0.27824%0.242SC..Hα-helixtrans-66.2-40.5176.2-175.2171.2-175.21660113K613 F614 V615 W620 N621 S664K613-K617 VanDerWaalsContact O-CB 3.28Å; K613-K617 WeakPolarHBondContact O-CB 3.24Å; K613-K617 PolarHBondContact O-N 2.84Å; F614-K617 PolarHBondContact O-N 3.34Å; V615-K617 VanDerWaalsContact C-N 3.29Å; V615-K617 PolarHBondContact O-N 3.1Å; K617-W620 PolarHBondContact O-N 3.28Å; K617-N621 VanDerWaalsContact O-CG 3.27Å; K617-N621 PolarHBondContact O-N 3.39Å; K617-S664 PolarHBondContact NZ-OG 3.03Å
618T76Confident71.8Confident16 Ų1649.1 Ų49.110%0.09823%0.233CC..Hα-helixtrans-66-45179.8-58.60000111.2S521 L562 F614 V615 W620 N621 T622S521-T618 WeakPolarHBondContact OG-CG2 3.18Å; L562-T618 HydrophobicContact CD2-CG2 3.87Å; F614-T618 WeakPolarHBondContact CZ-OG1 3.4Å; F614-T618 WeakPolarHBondContact O-CB 3.37Å; F614-T618 PolarHBondContact O-N 3.02Å; F614-T618 PolarHBondContact O-OG1 3.47Å; V615-T618 PolarHBondContact O-N 3.44Å; V615-T618 VanDerWaalsContact O-N 3.13Å; T618-W620 VanDerWaalsContact C-N 3.26Å; T618-W620 PolarHBondContact O-N 2.86Å; T618-N621 PolarHBondContact O-N 3.49Å; T618-T622 PolarHBondContact O-N 3.32Å; T618-T622 PolarHBondContact O-OG1 2.63Å
619L78.7Confident72.8Confident1 Ų146.4 Ų46.41%0.00522%0.22CC..Hα-helixtrans-62.1-38.1174-172.663.9000110.6L564 S565 I568 F604 L609 V615 T622 V623 W649L564-L619 HydrophobicContact CB-CD1 4.46Å; L564-L619 HydrophobicContact CD2-CD1 3.87Å; L564-L619 HydrophobicContact CD2-CD2 4.37Å; L564-L619 HydrophobicContact CG-CD1 4.03Å; S565-L619 WeakPolarHBondContact OG-CA 3.32Å; S565-L619 WeakPolarHBondContact OG-CD1 3.39Å; I568-L619 HydrophobicContact CD1-CD1 4.31Å; F604-L619 HydrophobicContact CZ-CD2 4.46Å; L609-L619 HydrophobicContact CD1-CD2 4.44Å; V615-L619 WeakPolarHBondContact O-CB 3.36Å; V615-L619 PolarHBondContact O-N 3.17Å; L619-T622 WeakPolarHBondContact O-CB 3.04Å; L619-T622 PolarHBondContact O-N 2.74Å; L619-V623 VanDerWaalsContact O-CG2 3.31Å; L619-V623 WeakPolarHBondContact O-CG2 3.1Å; L619-V623 PolarHBondContact O-N 3.44Å; L619-W649 HydrophobicContact CB-CH2 4Å; L619-W649 HydrophobicContact CB-CZ2 4.07Å; L619-W649 HydrophobicContact CD2-CH2 4.01Å; L619-W649 HydrophobicContact CD2-CZ2 3.62Å; L619-W649 HydrophobicContact CG-CH2 3.81Å; L619-W649 HydrophobicContact CG-CZ2 3.92Å
620W76.8Confident73.9Confident14 Ų1447.5 Ų47.55%0.05323%0.229CC..Hα-helixtrans-66.1-46.6179.9173.8-120000112.3S616 K617 T618 T622 V623 K624 W649 W658 I661 Q662S616-W620 WeakPolarHBondContact O-CB 3.14Å; S616-W620 PolarHBondContact O-N 3.3Å; K617-W620 PolarHBondContact O-N 3.28Å; T618-W620 VanDerWaalsContact C-N 3.26Å; T618-W620 PolarHBondContact O-N 2.86Å; W620-T622 PolarHBondContact O-N 3.25Å; W620-V623 HydrophobicContact CE3-CB 4.38Å; W620-V623 HydrophobicContact CE3-CG1 4.33Å; W620-V623 HydrophobicContact CZ3-CG1 4.18Å; W620-V623 PolarHBondContact O-N 3.29Å; W620-V623 VanDerWaalsContact O-N 3.17Å; W620-K624 HydrophobicContact CD2-CG 4.34Å; W620-K624 VanDerWaalsContact CE2-CE 3.49Å; W620-K624 HydrophobicContact CH2-CG 4.21Å; W620-K624 HydrophobicContact CZ2-CD 4.11Å; W620-K624 HydrophobicContact CZ2-CG 3.94Å; W620-K624 HydrophobicContact CZ3-CG 4.48Å; W620-K624 PolarHBondContact O-N 2.66Å; W620-W649 HydrophobicContact CB-CH2 3.86Å; W620-W649 HydrophobicContact CB-CZ3 4.36Å; W620-W649 HydrophobicContact CE3-CE3 4.42Å; W620-W649 HydrophobicContact CE3-CH2 4.34Å; W620-W649 AromaticContact CE3-CZ3 3.67Å; W620-W649 HydrophobicContact CE3-CZ3 3.67Å; W620-W649 HydrophobicContact CZ3-CZ3 4.43Å; W620-W658 HydrophobicContact CD2-CH2 4.34Å; W620-W658 AromaticContact CE3-CH2 3.38Å; W620-W658 HydrophobicContact CE3-CH2 3.38Å; W620-W658 AromaticContact CE3-CZ2 3.99Å; W620-W658 HydrophobicContact CE3-CZ2 3.99Å; W620-W658 AromaticContact CE3-CZ3 3.98Å; W620-W658 HydrophobicContact CE3-CZ3 3.98Å; W620-W658 AromaticContact CH2-CH2 3.71Å; W620-W658 HydrophobicContact CH2-CH2 3.71Å; W620-W658 AromaticContact CH2-CZ2 3.39Å; W620-W658 HydrophobicContact CH2-CZ2 3.39Å; W620-W658 HydrophobicContact CZ2-CZ2 4.3Å; W620-W658 AromaticContact CZ3-CH2 3.03Å; W620-W658 HydrophobicContact CZ3-CH2 3.03Å; W620-W658 AromaticContact CZ3-CZ2 3.23Å; W620-W658 HydrophobicContact CZ3-CZ2 3.23Å; W620-W658 HydrophobicContact CZ3-CZ3 4.05Å; W620-I661 HydrophobicContact CB-CG2 4.28Å; W620-I661 HydrophobicContact CG-CG2 4.19Å; W620-Q662 HydrophobicContact CZ2-CG 3.66Å
621N76.9Confident75Confident88 Ų8853.7 Ų53.747%0.47126%0.255SS..Hα-helixtrans-58.8-38.7174.9-67.8-15.3000111.1K617 T618 K624 Y625K617-N621 VanDerWaalsContact O-CG 3.27Å; K617-N621 PolarHBondContact O-N 3.39Å; T618-N621 PolarHBondContact O-N 3.49Å; N621-K624 PolarHBondContact O-N 2.9Å; N621-Y625 WeakPolarHBondContact O-CB 3.31Å; N621-Y625 PolarHBondContact O-N 2.95Å
622T79.6Confident76.1Confident5 Ų551.6 Ų51.63%0.03124%0.243CC..Hα-helixtrans-65.3-41.9176.7-58.50000112.4I568 I569 T618 L619 W620 Y625 L626I568-T622 HydrophobicContact CB-CG2 3.75Å; I568-T622 HydrophobicContact CD1-CG2 4.4Å; I568-T622 HydrophobicContact CG2-CG2 3.64Å; I569-T622 HydrophobicContact CD1-CG2 4.09Å; I569-T622 HydrophobicContact CG1-CG2 3.53Å; T618-T622 PolarHBondContact O-N 3.32Å; T618-T622 PolarHBondContact O-OG1 2.63Å; L619-T622 WeakPolarHBondContact O-CB 3.04Å; L619-T622 PolarHBondContact O-N 2.74Å; W620-T622 PolarHBondContact O-N 3.25Å; T622-Y625 PolarHBondContact O-N 3.08Å; T622-L626 PolarHBondContact O-N 3.15Å
623V79Confident76.6Confident0 Ų053 Ų530%024%0.244CC..Hα-helixtrans-64.7-45.2176.1168.30000110.7L619 W620 Y625 L626 E627 L642 V645 W649L619-V623 VanDerWaalsContact O-CG2 3.31Å; L619-V623 WeakPolarHBondContact O-CG2 3.1Å; L619-V623 PolarHBondContact O-N 3.44Å; W620-V623 HydrophobicContact CE3-CB 4.38Å; W620-V623 HydrophobicContact CE3-CG1 4.33Å; W620-V623 HydrophobicContact CZ3-CG1 4.18Å; W620-V623 PolarHBondContact O-N 3.29Å; W620-V623 VanDerWaalsContact O-N 3.17Å; V623-Y625 VanDerWaalsContact C-N 3.32Å; V623-Y625 PolarHBondContact O-N 3.1Å; V623-L626 CarbonylContact O-C 3.53Å; V623-L626 WeakPolarHBondContact O-CA 3.48Å; V623-L626 WeakPolarHBondContact O-CB 3.33Å; V623-L626 PolarHBondContact O-N 3.47Å; V623-L626 VanDerWaalsContact O-N 3.09Å; V623-E627 WeakPolarHBondContact O-CG 3.39Å; V623-E627 PolarHBondContact O-N 3.25Å; V623-L642 HydrophobicContact CG1-CD2 3.8Å; V623-V645 HydrophobicContact CG2-CB 4.29Å; V623-V645 HydrophobicContact CG2-CG1 3.69Å; V623-W649 HydrophobicContact CB-CZ3 4.43Å; V623-W649 HydrophobicContact CG2-CZ3 4.04Å
624K79.1Confident76.8Confident90 Ų9049.5 Ų49.539%0.39124%0.24SC..Hα-helixtrans-58.5-44.3174.3-82.5-162.4170.3-166.40112.5W620 N621 L626 E627 E628W620-K624 HydrophobicContact CD2-CG 4.34Å; W620-K624 VanDerWaalsContact CE2-CE 3.49Å; W620-K624 HydrophobicContact CH2-CG 4.21Å; W620-K624 HydrophobicContact CZ2-CD 4.11Å; W620-K624 HydrophobicContact CZ2-CG 3.94Å; W620-K624 HydrophobicContact CZ3-CG 4.48Å; W620-K624 PolarHBondContact O-N 2.66Å; N621-K624 PolarHBondContact O-N 2.9Å; K624-L626 VanDerWaalsContact C-N 3.26Å; K624-L626 PolarHBondContact O-N 2.86Å; K624-E627 WeakPolarHBondContact O-CB 3.34Å; K624-E627 PolarHBondContact O-N 3.12Å; K624-E627 VanDerWaalsContact O-N 3.11Å; K624-E628 PolarHBondContact O-N 3.37Å
625Y78.7Confident77.3Confident11 Ų1146.2 Ų46.24%0.04323%0.227CC..Hα-helixtrans-58.6-41.9174.8174.6-111000111.5E523 I569 V572 N621 T622 V623 E628 E629E523-Y625 HydrophobicContact CG-CD1 4.12Å; E523-Y625 HydrophobicContact CG-CD2 3.75Å; E523-Y625 HydrophobicContact CG-CE1 4.06Å; E523-Y625 HydrophobicContact CG-CE2 3.69Å; E523-Y625 HydrophobicContact CG-CG 3.96Å; E523-Y625 WeakPolarHBondContact OE1-CD2 3.3Å; E523-Y625 WeakPolarHBondContact OE1-CE2 3.09Å; E523-Y625 WeakPolarHBondContact OE2-CD2 3Å; I569-Y625 HydrophobicContact CG2-CE1 4.37Å; V572-Y625 HydrophobicContact CB-CE1 4.28Å; V572-Y625 HydrophobicContact CG1-CE1 3.68Å; N621-Y625 WeakPolarHBondContact O-CB 3.31Å; N621-Y625 PolarHBondContact O-N 2.95Å; T622-Y625 PolarHBondContact O-N 3.08Å; V623-Y625 VanDerWaalsContact C-N 3.32Å; V623-Y625 PolarHBondContact O-N 3.1Å; Y625-E628 PolarHBondContact O-N 3.45Å; Y625-E629 HydrophobicContact CD2-CG 4.44Å; Y625-E629 HydrophobicContact CE1-CG 4.26Å; Y625-E629 HydrophobicContact CE2-CG 3.94Å; Y625-E629 WeakPolarHBondContact O-CG 3.46Å; Y625-E629 PolarHBondContact O-N 3.46Å
626L80.6Confident77.5Confident0 Ų052 Ų520%026%0.258CS..Hα-helixtrans-65-37.7173.9-179.668.5000112.7I568 V572 T622 V623 K624 E629 S630 W638 I641 L642I568-L626 HydrophobicContact CG2-CB 4.19Å; I568-L626 HydrophobicContact CG2-CD1 4.44Å; I568-L626 HydrophobicContact CG2-CD2 3.9Å; I568-L626 HydrophobicContact CG2-CG 4.43Å; V572-L626 HydrophobicContact CG2-CD1 3.31Å; T622-L626 PolarHBondContact O-N 3.15Å; V623-L626 CarbonylContact O-C 3.53Å; V623-L626 WeakPolarHBondContact O-CA 3.48Å; V623-L626 WeakPolarHBondContact O-CB 3.33Å; V623-L626 PolarHBondContact O-N 3.47Å; V623-L626 VanDerWaalsContact O-N 3.09Å; K624-L626 VanDerWaalsContact C-N 3.26Å; K624-L626 PolarHBondContact O-N 2.86Å; L626-E629 PolarHBondContact O-N 3.48Å; L626-S630 VanDerWaalsContact O-CB 3.25Å; L626-S630 WeakPolarHBondContact O-CB 3.47Å; L626-S630 PolarHBondContact O-N 2.79Å; L626-S630 PolarHBondContact O-OG 3.23Å; L626-W638 HydrophobicContact CD1-CB 3.79Å; L626-W638 HydrophobicContact CD1-CD2 4.11Å; L626-W638 HydrophobicContact CD1-CG 3.61Å; L626-W638 HydrophobicContact CG-CB 4.43Å; L626-I641 HydrophobicContact CD2-CB 3.76Å; L626-I641 HydrophobicContact CD2-CG2 3.32Å; L626-L642 HydrophobicContact CB-CD2 4.05Å; L626-L642 HydrophobicContact CD2-CD2 3.75Å; L626-L642 HydrophobicContact CD2-CG 3.74Å; L626-L642 HydrophobicContact CG-CD1 4.29Å; L626-L642 HydrophobicContact CG-CD2 3.86Å; L626-L642 HydrophobicContact CG-CG 3.9Å
627E81.7Confident77.6Confident70 Ų7052.4 Ų52.433%0.32726%0.259SS..Hα-helixtrans-58-52.4174.1-71.1-179.6159.900110.1V623 K624 E629 S630 E631 L642V623-E627 WeakPolarHBondContact O-CG 3.39Å; V623-E627 PolarHBondContact O-N 3.25Å; K624-E627 WeakPolarHBondContact O-CB 3.34Å; K624-E627 PolarHBondContact O-N 3.12Å; K624-E627 VanDerWaalsContact O-N 3.11Å; E627-E629 VanDerWaalsContact C-N 3.33Å; E627-E629 PolarHBondContact O-N 3.22Å; E627-S630 PolarHBondContact O-N 3.38Å; E627-S630 VanDerWaalsContact O-N 3.08Å; E627-S630 PolarHBondContact O-OG 3.37Å; E627-E631 PolarHBondContact O-N 3.49Å; E627-E631 VanDerWaalsContact O-N 3.14Å; E627-L642 HydrophobicContact CB-CD1 4.48Å; E627-L642 HydrophobicContact CB-CD2 4.34Å; E627-L642 HydrophobicContact CG-CD1 3.99Å; E627-L642 HydrophobicContact CG-CD2 3.37Å; E627-L642 HydrophobicContact CG-CG 4.28Å
628E81.1Confident78Confident109 Ų10949.4 Ų49.451%0.50925%0.246SC..Hα-helixtrans-59.1-41.4178.5-68.9-179.7-168.100112.6K624 Y625K624-E628 PolarHBondContact O-N 3.37Å; Y625-E628 PolarHBondContact O-N 3.45Å
629E77.4Confident78.2Confident2 Ų254 Ų541%0.00927%0.265CS..Hα-helixtrans-70.4-35.2176.7-71.5-67.111400111.4V572 Y625 L626 E627 E631 K632 Y633 W638V572-E629 HydrophobicContact CG1-CB 4.07Å; V572-E629 HydrophobicContact CG1-CG 3.82Å; Y625-E629 HydrophobicContact CD2-CG 4.44Å; Y625-E629 HydrophobicContact CE1-CG 4.26Å; Y625-E629 HydrophobicContact CE2-CG 3.94Å; Y625-E629 WeakPolarHBondContact O-CG 3.46Å; Y625-E629 PolarHBondContact O-N 3.46Å; L626-E629 PolarHBondContact O-N 3.48Å; E627-E629 VanDerWaalsContact C-N 3.33Å; E627-E629 PolarHBondContact O-N 3.22Å; E629-E631 VanDerWaalsContact C-N 3.27Å; E629-E631 PolarHBondContact O-N 3.22Å; E629-K632 WeakPolarHBondContact O-CA 3.33Å; E629-K632 WeakPolarHBondContact O-CB 3.46Å; E629-K632 PolarHBondContact O-N 3.46Å; E629-K632 IonicContact OE1-NZ 2.79Å; E629-K632 PolarHBondContact OE1-NZ 2.97Å; E629-Y633 PolarHBondContact O-N 3.41Å; E629-W638 HydrophobicContact CB-CH2 4.19Å; E629-W638 HydrophobicContact CB-CZ3 4.13Å; E629-W638 WeakPolarHBondContact O-CZ3 3.36Å
630S79.6Confident78.2Confident25 Ų2556.8 Ų56.818%0.17528%0.28CS..Hα-helixtrans-66.3-26.5178.279.50000114.9L626 E627 K632 L642L626-S630 VanDerWaalsContact O-CB 3.25Å; L626-S630 WeakPolarHBondContact O-CB 3.47Å; L626-S630 PolarHBondContact O-N 2.79Å; L626-S630 PolarHBondContact O-OG 3.23Å; E627-S630 PolarHBondContact O-N 3.38Å; E627-S630 VanDerWaalsContact O-N 3.08Å; E627-S630 PolarHBondContact O-OG 3.37Å; S630-K632 VanDerWaalsContact C-N 3.34Å; S630-L642 WeakPolarHBondContact OG-CD1 3.21Å
631E80.8Confident78.4Confident172 Ų17256.1 Ų56.180%0.80428%0.278SS*.Hα-helixtrans-69.8-34.1169.2-67.8-176.7172.700111.6E627 E629E627-E631 PolarHBondContact O-N 3.49Å; E627-E631 VanDerWaalsContact O-N 3.14Å; E629-E631 VanDerWaalsContact C-N 3.27Å; E629-E631 PolarHBondContact O-N 3.22Å
632K78.1Confident78.5Confident125 Ų12552.8 Ų52.854%0.54326%0.26SS..Hα-helixtrans-79.8-39.8-179.9-64175-159.1156.70112.9E629 S630E629-K632 WeakPolarHBondContact O-CA 3.33Å; E629-K632 WeakPolarHBondContact O-CB 3.46Å; E629-K632 PolarHBondContact O-N 3.46Å; E629-K632 IonicContact OE1-NZ 2.79Å; E629-K632 PolarHBondContact OE1-NZ 2.97Å; S630-K632 VanDerWaalsContact C-N 3.34Å
633Y72.7Confident78.5Confident61 Ų6155.9 Ų55.924%0.23928%0.281CS..SBendtrans-130.8118.2177.3-39.1-97.4000110.7Y579 E629 I635 W638Y579-Y633 HydrophobicContact CD2-CD1 4.22Å; Y579-Y633 HydrophobicContact CD2-CE1 4.48Å; Y579-Y633 HydrophobicContact CE2-CD1 4.43Å; Y579-Y633 HydrophobicContact CG-CD1 4.27Å; Y579-Y633 HydrophobicContact CG-CE1 4.23Å; E629-Y633 PolarHBondContact O-N 3.41Å; Y633-I635 VanDerWaalsContact C-N 3.33Å; Y633-I635 PolarHBondContact O-N 3.35Å; Y633-W638 VanDerWaalsContact CB-CZ3 3.45Å; Y633-W638 AromaticContact CD2-CH2 3.64Å; Y633-W638 HydrophobicContact CD2-CH2 3.64Å; Y633-W638 AromaticContact CD2-CZ3 3.84Å; Y633-W638 HydrophobicContact CD2-CZ3 3.84Å; Y633-W638 HydrophobicContact CG-CH2 4.05Å; Y633-W638 HydrophobicContact CG-CZ3 4.1Å; Y633-W638 WeakPolarHBondContact O-CZ3 3.42Å
634S71.4Confident78.4Confident95 Ų9557.5 Ų57.566%0.66429%0.293SS*.  trans-8176-175.7720000112.2
635I76.6Confident78.2Confident21 Ų2153.4 Ų53.411%0.10828%0.275CS..  trans-95.8127.2178.1-55.2-173000110Y575 Y579 Y633 L637 W638 K639Y575-I635 HydrophobicContact CD1-CD1 3.61Å; Y575-I635 HydrophobicContact CE1-CD1 4.33Å; Y575-I635 HydrophobicContact CG-CD1 3.81Å; Y579-I635 HydrophobicContact CE2-CD1 4.3Å; Y633-I635 VanDerWaalsContact C-N 3.33Å; Y633-I635 PolarHBondContact O-N 3.35Å; I635-L637 VanDerWaalsContact C-N 3.26Å; I635-L637 HydrophobicContact CG2-CB 4.04Å; I635-L637 PolarHBondContact O-N 3.08Å; I635-W638 HydrophobicContact CB-CB 4.48Å; I635-W638 HydrophobicContact CB-CD2 3.71Å; I635-W638 HydrophobicContact CB-CE3 3.89Å; I635-W638 HydrophobicContact CB-CG 3.93Å; I635-W638 HydrophobicContact CD1-CD2 4.1Å; I635-W638 HydrophobicContact CD1-CE3 4.24Å; I635-W638 HydrophobicContact CD1-CH2 3.82Å; I635-W638 HydrophobicContact CD1-CZ2 3.58Å; I635-W638 HydrophobicContact CD1-CZ3 4.14Å; I635-W638 HydrophobicContact CG1-CD2 4.1Å; I635-W638 HydrophobicContact CG1-CE3 3.99Å; I635-W638 HydrophobicContact CG1-CH2 4.34Å; I635-W638 HydrophobicContact CG1-CZ2 4.38Å; I635-W638 HydrophobicContact CG1-CZ3 4.15Å; I635-W638 HydrophobicContact CG2-CD2 4.48Å; I635-W638 HydrophobicContact CG2-CG 4.39Å; I635-W638 WeakPolarHBondContact O-CB 3.38Å; I635-W638 PolarHBondContact O-N 3.37Å; I635-K639 PolarHBondContact O-N 3.03Å
636D77.4Confident78Confident124 Ų12454 Ų5466%0.66328%0.28SS*.Hα-helixtrans-59.8-35.2-177.5-69.8-26.5000113.2W638 K639 N640D636-W638 VanDerWaalsContact C-N 3.31Å; D636-W638 PolarHBondContact O-N 3.39Å; D636-K639 PolarHBondContact O-N 3.01Å; D636-N640 PolarHBondContact O-N 3.43Å; D636-N640 VanDerWaalsContact O-N 3.09Å
637L75.9Confident77.6Confident7 Ų760 Ų604%0.03731%0.31CS..Hα-helixtrans-57.1-44.8173.9-179.161.5000111.6I571 Y575 A594 W595 I635 N640 I641I571-L637 HydrophobicContact CG2-CD2 3.67Å; Y575-L637 HydrophobicContact CE2-CD2 4.11Å; A594-L637 HydrophobicContact CB-CD2 3.79Å; W595-L637 HydrophobicContact CD2-CD1 3.6Å; W595-L637 HydrophobicContact CE3-CD1 3.59Å; W595-L637 HydrophobicContact CG-CD1 4.28Å; W595-L637 HydrophobicContact CH2-CB 4.4Å; W595-L637 HydrophobicContact CH2-CD1 3.71Å; W595-L637 HydrophobicContact CZ2-CB 4.14Å; W595-L637 HydrophobicContact CZ2-CD1 3.79Å; W595-L637 HydrophobicContact CZ3-CD1 3.58Å; I635-L637 VanDerWaalsContact C-N 3.26Å; I635-L637 HydrophobicContact CG2-CB 4.04Å; I635-L637 PolarHBondContact O-N 3.08Å; L637-N640 PolarHBondContact O-N 3Å; L637-I641 HydrophobicContact CD1-CD1 4.07Å; L637-I641 HydrophobicContact CD1-CG1 4.33Å; L637-I641 HydrophobicContact CG-CD1 3.93Å; L637-I641 VanDerWaalsContact O-CG1 3.25Å; L637-I641 WeakPolarHBondContact O-CG1 3.31Å; L637-I641 PolarHBondContact O-N 3.11Å
638W80.2Confident77Confident1 Ų159.4 Ų59.40%0.00431%0.306CS..Hα-helixtrans-65.3-43.7-179.9-61.4-13000111.8V572 L626 E629 Y633 I635 D636 N640 I641 L642V572-W638 HydrophobicContact CG1-CZ2 4.23Å; V572-W638 HydrophobicContact CG2-CZ2 4.44Å; L626-W638 HydrophobicContact CD1-CB 3.79Å; L626-W638 HydrophobicContact CD1-CD2 4.11Å; L626-W638 HydrophobicContact CD1-CG 3.61Å; L626-W638 HydrophobicContact CG-CB 4.43Å; E629-W638 HydrophobicContact CB-CH2 4.19Å; E629-W638 HydrophobicContact CB-CZ3 4.13Å; E629-W638 WeakPolarHBondContact O-CZ3 3.36Å; Y633-W638 VanDerWaalsContact CB-CZ3 3.45Å; Y633-W638 AromaticContact CD2-CH2 3.64Å; Y633-W638 HydrophobicContact CD2-CH2 3.64Å; Y633-W638 AromaticContact CD2-CZ3 3.84Å; Y633-W638 HydrophobicContact CD2-CZ3 3.84Å; Y633-W638 HydrophobicContact CG-CH2 4.05Å; Y633-W638 HydrophobicContact CG-CZ3 4.1Å; Y633-W638 WeakPolarHBondContact O-CZ3 3.42Å; I635-W638 HydrophobicContact CB-CB 4.48Å; I635-W638 HydrophobicContact CB-CD2 3.71Å; I635-W638 HydrophobicContact CB-CE3 3.89Å; I635-W638 HydrophobicContact CB-CG 3.93Å; I635-W638 HydrophobicContact CD1-CD2 4.1Å; I635-W638 HydrophobicContact CD1-CE3 4.24Å; I635-W638 HydrophobicContact CD1-CH2 3.82Å; I635-W638 HydrophobicContact CD1-CZ2 3.58Å; I635-W638 HydrophobicContact CD1-CZ3 4.14Å; I635-W638 HydrophobicContact CG1-CD2 4.1Å; I635-W638 HydrophobicContact CG1-CE3 3.99Å; I635-W638 HydrophobicContact CG1-CH2 4.34Å; I635-W638 HydrophobicContact CG1-CZ2 4.38Å; I635-W638 HydrophobicContact CG1-CZ3 4.15Å; I635-W638 HydrophobicContact CG2-CD2 4.48Å; I635-W638 HydrophobicContact CG2-CG 4.39Å; I635-W638 WeakPolarHBondContact O-CB 3.38Å; I635-W638 PolarHBondContact O-N 3.37Å; D636-W638 VanDerWaalsContact C-N 3.31Å; D636-W638 PolarHBondContact O-N 3.39Å; W638-N640 VanDerWaalsContact C-N 3.33Å; W638-N640 PolarHBondContact O-N 3.33Å; W638-I641 PolarHBondContact O-N 2.98Å; W638-L642 WeakPolarHBondContact O-CB 3.34Å; W638-L642 VanDerWaalsContact O-CG 3.31Å; W638-L642 WeakPolarHBondContact O-CG 3.46Å; W638-L642 PolarHBondContact O-N 3.09Å
639K79.2Confident76.5Confident113 Ų11354.4 Ų54.449%0.49128%0.283SS..Hα-helixtrans-59.8-42177.6-70179.5179.4172.10112.3I635 D636 S643I635-K639 PolarHBondContact O-N 3.03Å; D636-K639 PolarHBondContact O-N 3.01Å; K639-S643 VanDerWaalsContact O-CB 3.23Å; K639-S643 WeakPolarHBondContact O-CB 3.47Å; K639-S643 PolarHBondContact O-N 2.88Å
640N80.2Confident76Confident59 Ų5962 Ų6232%0.31631%0.311SS..Hα-helixtrans-70.6-41.2176.9-167.3-2.5000111.8W595 D636 L637 W638 L642 S643 S644W595-N640 HydrophobicContact CH2-CB 3.16Å; W595-N640 WeakPolarHBondContact CH2-ND2 3.35Å; W595-N640 HydrophobicContact CZ2-CB 4.41Å; W595-N640 HydrophobicContact CZ3-CB 3.43Å; W595-N640 VanDerWaalsContact CZ3-CB 3.43Å; W595-N640 VanDerWaalsContact CZ3-CG 3.42Å; W595-N640 WeakPolarHBondContact CZ3-ND2 3.36Å; D636-N640 PolarHBondContact O-N 3.43Å; D636-N640 VanDerWaalsContact O-N 3.09Å; L637-N640 PolarHBondContact O-N 3Å; W638-N640 VanDerWaalsContact C-N 3.33Å; W638-N640 PolarHBondContact O-N 3.33Å; N640-L642 VanDerWaalsContact C-N 3.29Å; N640-L642 PolarHBondContact O-N 2.91Å; N640-S643 WeakPolarHBondContact O-CB 3.23Å; N640-S643 PolarHBondContact O-N 3.47Å; N640-S644 VanDerWaalsContact O-CB 3.28Å; N640-S644 WeakPolarHBondContact O-CB 3.46Å; N640-S644 PolarHBondContact O-N 3.4Å; N640-S644 PolarHBondContact O-OG 2.96Å; N640-S644 PolarHBondContact OD1-OG 3.42Å
641I79.9Confident75.4Confident1 Ų165.5 Ų65.51%0.00533%0.331CS..Hα-helixtrans-56.7-47.9177.1-69170.4000110.1I568 Y598 L626 L637 W638 V645I568-I641 HydrophobicContact CD1-CG2 3.87Å; I568-I641 HydrophobicContact CG1-CG2 4.01Å; Y598-I641 HydrophobicContact CD1-CG1 4.3Å; Y598-I641 HydrophobicContact CD2-CD1 4.25Å; Y598-I641 HydrophobicContact CD2-CG1 3.73Å; Y598-I641 HydrophobicContact CD2-CG2 4.38Å; Y598-I641 HydrophobicContact CE1-CG1 4.23Å; Y598-I641 HydrophobicContact CE2-CB 4.03Å; Y598-I641 HydrophobicContact CE2-CG1 3.67Å; Y598-I641 HydrophobicContact CE2-CG2 3.71Å; Y598-I641 HydrophobicContact CG-CG1 4.02Å; Y598-I641 WeakPolarHBondContact OH-CA 3.42Å; Y598-I641 PolarHBondContact OH-O 3.38Å; Y598-I641 VanDerWaalsContact OH-O 3.09Å; L626-I641 HydrophobicContact CD2-CB 3.76Å; L626-I641 HydrophobicContact CD2-CG2 3.32Å; L637-I641 HydrophobicContact CD1-CD1 4.07Å; L637-I641 HydrophobicContact CD1-CG1 4.33Å; L637-I641 HydrophobicContact CG-CD1 3.93Å; L637-I641 VanDerWaalsContact O-CG1 3.25Å; L637-I641 WeakPolarHBondContact O-CG1 3.31Å; L637-I641 PolarHBondContact O-N 3.11Å; W638-I641 PolarHBondContact O-N 2.98Å; I641-V645 WeakPolarHBondContact O-CG2 3.48Å; I641-V645 PolarHBondContact O-N 3.45Å
642L79.4Confident74.4Confident18 Ų1862.1 Ų62.19%0.09432%0.319CS..Hα-helixtrans-60.2-48.8176.3-71.1173.1000112V623 L626 E627 S630 W638 N640 T646V623-L642 HydrophobicContact CG1-CD2 3.8Å; L626-L642 HydrophobicContact CB-CD2 4.05Å; L626-L642 HydrophobicContact CD2-CD2 3.75Å; L626-L642 HydrophobicContact CD2-CG 3.74Å; L626-L642 HydrophobicContact CG-CD1 4.29Å; L626-L642 HydrophobicContact CG-CD2 3.86Å; L626-L642 HydrophobicContact CG-CG 3.9Å; E627-L642 HydrophobicContact CB-CD1 4.48Å; E627-L642 HydrophobicContact CB-CD2 4.34Å; E627-L642 HydrophobicContact CG-CD1 3.99Å; E627-L642 HydrophobicContact CG-CD2 3.37Å; E627-L642 HydrophobicContact CG-CG 4.28Å; S630-L642 WeakPolarHBondContact OG-CD1 3.21Å; W638-L642 WeakPolarHBondContact O-CB 3.34Å; W638-L642 VanDerWaalsContact O-CG 3.31Å; W638-L642 WeakPolarHBondContact O-CG 3.46Å; W638-L642 PolarHBondContact O-N 3.09Å; N640-L642 VanDerWaalsContact C-N 3.29Å; N640-L642 PolarHBondContact O-N 2.91Å; L642-T646 WeakPolarHBondContact O-CB 3.37Å; L642-T646 PolarHBondContact O-N 3.17Å; L642-T646 PolarHBondContact O-OG1 3.01Å
643S79.8Confident73.6Confident69 Ų6957.6 Ų57.648%0.48330%0.301SS..Hα-helixtrans-55.9-53.7178.2160.30000111.6K639 N640 T646 M647K639-S643 VanDerWaalsContact O-CB 3.23Å; K639-S643 WeakPolarHBondContact O-CB 3.47Å; K639-S643 PolarHBondContact O-N 2.88Å; N640-S643 WeakPolarHBondContact O-CB 3.23Å; N640-S643 PolarHBondContact O-N 3.47Å; S643-T646 PolarHBondContact O-N 2.97Å; S643-M647 WeakPolarHBondContact O-CB 3.38Å; S643-M647 PolarHBondContact O-N 2.75Å
644S77.1Confident73.1Confident35 Ų3556.4 Ų56.425%0.24531%0.306CS..Hα-helixtrans-67.5-42.1-174.1-77.80000112.6Y598 N640 K648Y598-S644 WeakPolarHBondContact OH-CB 3.49Å; N640-S644 VanDerWaalsContact O-CB 3.28Å; N640-S644 WeakPolarHBondContact O-CB 3.46Å; N640-S644 PolarHBondContact O-N 3.4Å; N640-S644 PolarHBondContact O-OG 2.96Å; N640-S644 PolarHBondContact OD1-OG 3.42Å; S644-K648 WeakPolarHBondContact O-CB 3.36Å; S644-K648 PolarHBondContact O-N 3.49Å
645V75.2Confident72.8Confident4 Ų459 Ų592%0.02431%0.308CS..Hα-helixtrans-67.5-45.7175.1177.30000111.2I602 V623 I641 M647 K648 W649I602-V645 HydrophobicContact CD1-CB 4.46Å; I602-V645 HydrophobicContact CD1-CG2 3.52Å; V623-V645 HydrophobicContact CG2-CB 4.29Å; V623-V645 HydrophobicContact CG2-CG1 3.69Å; I641-V645 WeakPolarHBondContact O-CG2 3.48Å; I641-V645 PolarHBondContact O-N 3.45Å; V645-M647 PolarHBondContact O-N 3.42Å; V645-K648 PolarHBondContact O-N 3.16Å; V645-W649 HydrophobicContact CG1-CD2 3.96Å; V645-W649 HydrophobicContact CG1-CE3 3.44Å; V645-W649 VanDerWaalsContact CG1-CE3 3.44Å; V645-W649 HydrophobicContact CG1-CH2 4.36Å; V645-W649 HydrophobicContact CG1-CZ3 3.66Å; V645-W649 WeakPolarHBondContact O-CB 3.44Å; V645-W649 PolarHBondContact O-N 3.49Å
646T72.6Confident72Confident23 Ų2364.4 Ų64.414%0.14134%0.337CS..Hα-helixtrans-64.1-41.2-179.8-55.10000111.7L642 S643 R650L642-T646 WeakPolarHBondContact O-CB 3.37Å; L642-T646 PolarHBondContact O-N 3.17Å; L642-T646 PolarHBondContact O-OG1 3.01Å; S643-T646 PolarHBondContact O-N 2.97Å; T646-R650 HydrophobicContact CG2-CG 4.31Å; T646-R650 WeakPolarHBondContact O-CB 3.46Å; T646-R650 WeakPolarHBondContact O-CG 3.42Å; T646-R650 PolarHBondContact O-N 3.33Å
647M73.5Confident71.3Confident126 Ų12661 Ų6162%0.62132%0.315SS*.Hα-helixtrans-62.6-52.9176.1-175.1179.4179.500110.4S643 V645 W649 R650 T651S643-M647 WeakPolarHBondContact O-CB 3.38Å; S643-M647 PolarHBondContact O-N 2.75Å; V645-M647 PolarHBondContact O-N 3.42Å; M647-W649 VanDerWaalsContact C-N 3.29Å; M647-W649 PolarHBondContact O-N 2.98Å; M647-R650 PolarHBondContact O-N 2.97Å; M647-T651 VanDerWaalsContact O-CB 3.3Å; M647-T651 WeakPolarHBondContact O-CB 3.45Å; M647-T651 PolarHBondContact O-N 3.01Å; M647-T651 PolarHBondContact O-OG1 3.11Å
648K69.5Low70.4Confident58 Ų5861.6 Ų61.625%0.25232%0.317SS..Hα-helixtrans-55.2-42.2178.1-93.6-174.7172.5-153.20112.7I602 L606 S644 V645 N652I602-K648 HydrophobicContact CD1-CD 4.33Å; I602-K648 HydrophobicContact CG1-CD 4.04Å; I602-K648 PolarHBondContact O-NZ 2.85Å; L606-K648 HydrophobicContact CD1-CB 3.66Å; L606-K648 HydrophobicContact CD1-CD 4.01Å; L606-K648 HydrophobicContact CD1-CG 3.86Å; S644-K648 WeakPolarHBondContact O-CB 3.36Å; S644-K648 PolarHBondContact O-N 3.49Å; V645-K648 PolarHBondContact O-N 3.16Å; K648-N652 WeakPolarHBondContact O-CB 3.26Å; K648-N652 PolarHBondContact O-N 3.17Å; K648-N652 PolarHBondContact O-ND2 3.31Å
649W70.7Confident69.6Low4 Ų464.5 Ų64.52%0.01533%0.333CS..Hα-helixtrans-71.2-47.4178-85.1-25.4000114L606 L619 W620 V623 V645 M647 T651 L653 W658L606-W649 VanDerWaalsContact CD2-CD1 3.41Å; L619-W649 HydrophobicContact CB-CH2 4Å; L619-W649 HydrophobicContact CB-CZ2 4.07Å; L619-W649 HydrophobicContact CD2-CH2 4.01Å; L619-W649 HydrophobicContact CD2-CZ2 3.62Å; L619-W649 HydrophobicContact CG-CH2 3.81Å; L619-W649 HydrophobicContact CG-CZ2 3.92Å; W620-W649 HydrophobicContact CB-CH2 3.86Å; W620-W649 HydrophobicContact CB-CZ3 4.36Å; W620-W649 HydrophobicContact CE3-CE3 4.42Å; W620-W649 HydrophobicContact CE3-CH2 4.34Å; W620-W649 AromaticContact CE3-CZ3 3.67Å; W620-W649 HydrophobicContact CE3-CZ3 3.67Å; W620-W649 HydrophobicContact CZ3-CZ3 4.43Å; V623-W649 HydrophobicContact CB-CZ3 4.43Å; V623-W649 HydrophobicContact CG2-CZ3 4.04Å; V645-W649 HydrophobicContact CG1-CD2 3.96Å; V645-W649 HydrophobicContact CG1-CE3 3.44Å; V645-W649 VanDerWaalsContact CG1-CE3 3.44Å; V645-W649 HydrophobicContact CG1-CH2 4.36Å; V645-W649 HydrophobicContact CG1-CZ3 3.66Å; V645-W649 WeakPolarHBondContact O-CB 3.44Å; V645-W649 PolarHBondContact O-N 3.49Å; M647-W649 VanDerWaalsContact C-N 3.29Å; M647-W649 PolarHBondContact O-N 2.98Å; W649-T651 PolarHBondContact O-N 3.34Å; W649-L653 HydrophobicContact CG-CD1 4.16Å; W649-L653 WeakPolarHBondContact O-CB 3.15Å; W649-L653 PolarHBondContact O-N 3.17Å; W649-W658 HydrophobicContact CB-CE3 4.02Å; W649-W658 HydrophobicContact CB-CH2 4.39Å; W649-W658 HydrophobicContact CB-CZ3 3.72Å; W649-W658 HydrophobicContact CD2-CE3 4.41Å; W649-W658 HydrophobicContact CD2-CH2 4.18Å; W649-W658 AromaticContact CD2-CZ3 3.5Å; W649-W658 HydrophobicContact CD2-CZ3 3.5Å; W649-W658 VanDerWaalsContact CD2-CZ3 3.5Å; W649-W658 HydrophobicContact CE3-CE3 4.32Å; W649-W658 AromaticContact CE3-CH2 3.35Å; W649-W658 HydrophobicContact CE3-CH2 3.35Å; W649-W658 AromaticContact CE3-CZ3 3.1Å; W649-W658 HydrophobicContact CE3-CZ3 3.1Å; W649-W658 HydrophobicContact CG-CE3 4.4Å; W649-W658 AromaticContact CG-CZ3 3.86Å; W649-W658 HydrophobicContact CG-CZ3 3.86Å; W649-W658 HydrophobicContact CH2-CZ3 4.5Å; W649-W658 AromaticContact CZ3-CH2 3.81Å; W649-W658 HydrophobicContact CZ3-CH2 3.81Å; W649-W658 AromaticContact CZ3-CZ3 3.69Å; W649-W658 HydrophobicContact CZ3-CZ3 3.69Å
650R65.5Low68.7Low162 Ų16262.2 Ų62.261%0.61133%0.33SS*.Hα-helixtrans-64.4-39.9179.5-75.8-174.7-176.7179.83112.4T646 M647T646-R650 HydrophobicContact CG2-CG 4.31Å; T646-R650 WeakPolarHBondContact O-CB 3.46Å; T646-R650 WeakPolarHBondContact O-CG 3.42Å; T646-R650 PolarHBondContact O-N 3.33Å; M647-R650 PolarHBondContact O-N 2.97Å
651T66.7Low67.7Low98 Ų9860.6 Ų60.660%0.60132%0.322SS*.Hα-helixtrans-73.4-32.5-176.3-52.10000112.3M647 W649M647-T651 VanDerWaalsContact O-CB 3.3Å; M647-T651 WeakPolarHBondContact O-CB 3.45Å; M647-T651 PolarHBondContact O-N 3.01Å; M647-T651 PolarHBondContact O-OG1 3.11Å; W649-T651 PolarHBondContact O-N 3.34Å
652N61.5Low66.4Low101 Ų10164.4 Ų64.454%0.5434%0.34SS..Hα-helixtrans-110.5-26.4-168.1-62-23.2000115.4L606 K648L606-N652 HydrophobicContact CB-CB 4.49Å; L606-N652 HydrophobicContact CD1-CB 4.26Å; L606-N652 VanDerWaalsContact CD1-ND2 3.27Å; L606-N652 WeakPolarHBondContact CD1-ND2 3.48Å; K648-N652 WeakPolarHBondContact O-CB 3.26Å; K648-N652 PolarHBondContact O-N 3.17Å; K648-N652 PolarHBondContact O-ND2 3.31Å
653L61.6Low64.8Low30 Ų3071.1 Ų71.116%0.15737%0.368CS..Hα-helixtrans-99.3-12.7-176.4-59.1-174.9000114.1T610 W649 Y657T610-L653 HydrophobicContact CG2-CD1 4.12Å; T610-L653 HydrophobicContact CG2-CD2 3.18Å; T610-L653 HydrophobicContact CG2-CG 4.27Å; W649-L653 HydrophobicContact CG-CD1 4.16Å; W649-L653 WeakPolarHBondContact O-CB 3.15Å; W649-L653 PolarHBondContact O-N 3.17Å; L653-Y657 HydrophobicContact CB-CD1 3.84Å; L653-Y657 HydrophobicContact CB-CG 4.34Å; L653-Y657 HydrophobicContact CD1-CD1 3.67Å; L653-Y657 HydrophobicContact CD1-CE1 3.73Å; L653-Y657 HydrophobicContact CG-CD1 4.26Å; L653-Y657 VanDerWaalsContact O-CB 3.26Å; L653-Y657 WeakPolarHBondContact O-CB 3.25Å
654G61.5Low63Low35 Ų3570.3 Ų70.336%0.36136%0.362SS..Hα-helixtrans75.3153.1-172.900000112.9D656 Y657 W658G654-D656 PolarHBondContact O-N 2.92Å; G654-Y657 PolarHBondContact O-N 3.25Å; G654-W658 PolarHBondContact O-N 3.21Å
655E65Low61.2Low149 Ų14974.5 Ų74.570%0.69639%0.386SS*.Hα-helixtrans-65.2-25.8-176.5-157.9168.5-164.200112.4W658 L659E655-W658 WeakPolarHBondContact O-CB 3.48Å; E655-L659 HydrophobicContact CG-CD1 4.35Å; E655-L659 WeakPolarHBondContact O-CB 2.98Å; E655-L659 WeakPolarHBondContact O-CD1 3.44Å; E655-L659 WeakPolarHBondContact O-CG 3.25Å; E655-L659 PolarHBondContact O-N 3.43Å
656D59.9Low59.7Low135 Ų13580.5 Ų80.572%0.72242%0.418SS*.Hα-helixtrans-73.3-44179.6-68.9-37000113.1G654 W658 L659 S660G654-D656 PolarHBondContact O-N 2.92Å; D656-W658 VanDerWaalsContact C-N 3.27Å; D656-W658 PolarHBondContact O-N 2.69Å; D656-L659 PolarHBondContact O-N 3.16Å; D656-S660 WeakPolarHBondContact O-CB 3.48Å; D656-S660 PolarHBondContact O-N 2.94Å
657Y61.3Low58.6Low53 Ų5382.8 Ų82.821%0.20843%0.428CS..Hα-helixtrans-63.6-40.8173.9-173.1-96000110.2T610 L653 G654 L659 S660 I661T610-Y657 WeakPolarHBondContact CA-OH 3.31Å; T610-Y657 HydrophobicContact CG2-CE1 3.94Å; T610-Y657 HydrophobicContact CG2-CE2 4.4Å; T610-Y657 PolarHBondContact O-OH 3.48Å; L653-Y657 HydrophobicContact CB-CD1 3.84Å; L653-Y657 HydrophobicContact CB-CG 4.34Å; L653-Y657 HydrophobicContact CD1-CD1 3.67Å; L653-Y657 HydrophobicContact CD1-CE1 3.73Å; L653-Y657 HydrophobicContact CG-CD1 4.26Å; L653-Y657 VanDerWaalsContact O-CB 3.26Å; L653-Y657 WeakPolarHBondContact O-CB 3.25Å; G654-Y657 PolarHBondContact O-N 3.25Å; Y657-L659 PolarHBondContact O-N 3.49Å; Y657-S660 WeakPolarHBondContact O-CB 3.44Å; Y657-S660 PolarHBondContact O-N 3.48Å; Y657-S660 VanDerWaalsContact O-N 3.16Å; Y657-S660 PolarHBondContact O-OG 2.99Å; Y657-I661 HydrophobicContact CD1-CD1 3.76Å; Y657-I661 HydrophobicContact CE1-CD1 3.26Å; Y657-I661 HydrophobicContact CE1-CG1 4.2Å; Y657-I661 PolarHBondContact O-N 2.71Å
658W58.1Low57.7Low20 Ų2081.4 Ų81.48%0.07642%0.424CS..Hα-helixtrans-55.3-50.3173.9-175.2-112.1000112.7W620 W649 G654 E655 D656 S660 I661 Q662W620-W658 HydrophobicContact CD2-CH2 4.34Å; W620-W658 AromaticContact CE3-CH2 3.38Å; W620-W658 HydrophobicContact CE3-CH2 3.38Å; W620-W658 AromaticContact CE3-CZ2 3.99Å; W620-W658 HydrophobicContact CE3-CZ2 3.99Å; W620-W658 AromaticContact CE3-CZ3 3.98Å; W620-W658 HydrophobicContact CE3-CZ3 3.98Å; W620-W658 AromaticContact CH2-CH2 3.71Å; W620-W658 HydrophobicContact CH2-CH2 3.71Å; W620-W658 AromaticContact CH2-CZ2 3.39Å; W620-W658 HydrophobicContact CH2-CZ2 3.39Å; W620-W658 HydrophobicContact CZ2-CZ2 4.3Å; W620-W658 AromaticContact CZ3-CH2 3.03Å; W620-W658 HydrophobicContact CZ3-CH2 3.03Å; W620-W658 AromaticContact CZ3-CZ2 3.23Å; W620-W658 HydrophobicContact CZ3-CZ2 3.23Å; W620-W658 HydrophobicContact CZ3-CZ3 4.05Å; W649-W658 HydrophobicContact CB-CE3 4.02Å; W649-W658 HydrophobicContact CB-CH2 4.39Å; W649-W658 HydrophobicContact CB-CZ3 3.72Å; W649-W658 HydrophobicContact CD2-CE3 4.41Å; W649-W658 HydrophobicContact CD2-CH2 4.18Å; W649-W658 AromaticContact CD2-CZ3 3.5Å; W649-W658 HydrophobicContact CD2-CZ3 3.5Å; W649-W658 VanDerWaalsContact CD2-CZ3 3.5Å; W649-W658 HydrophobicContact CE3-CE3 4.32Å; W649-W658 AromaticContact CE3-CH2 3.35Å; W649-W658 HydrophobicContact CE3-CH2 3.35Å; W649-W658 AromaticContact CE3-CZ3 3.1Å; W649-W658 HydrophobicContact CE3-CZ3 3.1Å; W649-W658 HydrophobicContact CG-CE3 4.4Å; W649-W658 AromaticContact CG-CZ3 3.86Å; W649-W658 HydrophobicContact CG-CZ3 3.86Å; W649-W658 HydrophobicContact CH2-CZ3 4.5Å; W649-W658 AromaticContact CZ3-CH2 3.81Å; W649-W658 HydrophobicContact CZ3-CH2 3.81Å; W649-W658 AromaticContact CZ3-CZ3 3.69Å; W649-W658 HydrophobicContact CZ3-CZ3 3.69Å; G654-W658 PolarHBondContact O-N 3.21Å; E655-W658 WeakPolarHBondContact O-CB 3.48Å; D656-W658 VanDerWaalsContact C-N 3.27Å; D656-W658 PolarHBondContact O-N 2.69Å; W658-S660 VanDerWaalsContact C-N 3.31Å; W658-S660 PolarHBondContact O-N 3.06Å; W658-I661 PolarHBondContact O-N 3.44Å; W658-Q662 VanDerWaalsContact NE1-NE2 3.18Å; W658-Q662 WeakPolarHBondContact O-CG 3.47Å; W658-Q662 PolarHBondContact O-N 3.19Å
659L63.2Low57.5Low62 Ų6283.9 Ų83.933%0.32543%0.432SS..Hα-helixtrans-67.1-30.8177.5-72.1167.1000112.6E655 D656 Y657 Q662 K663E655-L659 HydrophobicContact CG-CD1 4.35Å; E655-L659 WeakPolarHBondContact O-CB 2.98Å; E655-L659 WeakPolarHBondContact O-CD1 3.44Å; E655-L659 WeakPolarHBondContact O-CG 3.25Å; E655-L659 PolarHBondContact O-N 3.43Å; D656-L659 PolarHBondContact O-N 3.16Å; Y657-L659 PolarHBondContact O-N 3.49Å; L659-Q662 PolarHBondContact O-N 3.42Å; L659-K663 WeakPolarHBondContact O-CB 3.04Å; L659-K663 WeakPolarHBondContact O-CG 2.93Å; L659-K663 PolarHBondContact O-N 2.89Å
660S60.8Low57.2Low64 Ų6483.7 Ų83.745%0.44843%0.431SS..Hα-helixtrans-66.2-38.6179.181.90000112.8D656 Y657 W658 S664D656-S660 WeakPolarHBondContact O-CB 3.48Å; D656-S660 PolarHBondContact O-N 2.94Å; Y657-S660 WeakPolarHBondContact O-CB 3.44Å; Y657-S660 PolarHBondContact O-N 3.48Å; Y657-S660 VanDerWaalsContact O-N 3.16Å; Y657-S660 PolarHBondContact O-OG 2.99Å; W658-S660 VanDerWaalsContact C-N 3.31Å; W658-S660 PolarHBondContact O-N 3.06Å; S660-S664 PolarHBondContact O-N 2.95Å
661I58.1Low57.2Low26 Ų2679.2 Ų79.213%0.13342%0.423CS..Hα-helixtrans-69.9-37.2175.7-66.4170.5000110.4W620 Y657 W658W620-I661 HydrophobicContact CB-CG2 4.28Å; W620-I661 HydrophobicContact CG-CG2 4.19Å; Y657-I661 HydrophobicContact CD1-CD1 3.76Å; Y657-I661 HydrophobicContact CE1-CD1 3.26Å; Y657-I661 HydrophobicContact CE1-CG1 4.2Å; Y657-I661 PolarHBondContact O-N 2.71Å; W658-I661 PolarHBondContact O-N 3.44Å
662Q54.3Low57.3Low81 Ų8180 Ų8038%0.37942%0.424SS..Hα-helixtrans-70.2-33.6178.9-70.5-174.8-9.100113.6W620 W658 L659W620-Q662 HydrophobicContact CZ2-CG 3.66Å; W658-Q662 VanDerWaalsContact NE1-NE2 3.18Å; W658-Q662 WeakPolarHBondContact O-CG 3.47Å; W658-Q662 PolarHBondContact O-N 3.19Å; L659-Q662 PolarHBondContact O-N 3.42Å
663K45.2Very low57.9Low159 Ų15976.7 Ų76.769%0.69141%0.408SS*.Hα-helixtrans-88.5-8.9-173.9-80.2-178.6179.8174.40115.1L659 T665L659-K663 WeakPolarHBondContact O-CB 3.04Å; L659-K663 WeakPolarHBondContact O-CG 2.93Å; L659-K663 PolarHBondContact O-N 2.89Å; K663-T665 VanDerWaalsContact C-N 3.32Å; K663-T665 PolarHBondContact O-N 3.34Å
664S40.9Very low58.7Low52 Ų5281.8 Ų81.836%0.36443%0.429SS..  trans-70.694.9173.5106.20000108.2K617 S660 L666K617-S664 PolarHBondContact NZ-OG 3.03Å; S660-S664 PolarHBondContact O-N 2.95Å; S664-L666 PolarHBondContact O-N 2.83Å
665T40.7Very low59.5Low122 Ų12281.2 Ų81.275%0.74842%0.417SS*.  trans-47.6136.8146.237.80000105.8K663 I667K663-T665 VanDerWaalsContact C-N 3.32Å; K663-T665 PolarHBondContact O-N 3.34Å; T665-I667 PolarHBondContact O-N 3.45Å
666L43.2Very low60.2Low130 Ų13075.8 Ų75.868%0.68139%0.393SS*.  trans-42.1113.8171.2-93.1120.6000106.4S664 N668S664-L666 PolarHBondContact O-N 2.83Å; L666-N668 PolarHBondContact O-N 3.08Å; L666-N668 PolarHBondContact O-OD1 3.41Å
667I48.3Very low61Low72 Ų7269.5 Ų69.537%0.36936%0.359SS..  trans-63.196.9175-62.8175.3000102.3T665 Y669 N676T665-I667 PolarHBondContact O-N 3.45Å; I667-Y669 HydrophobicContact CB-CE2 4.11Å; I667-Y669 HydrophobicContact CG2-CD2 4.37Å; I667-Y669 HydrophobicContact CG2-CE1 4.06Å; I667-Y669 HydrophobicContact CG2-CE2 3.83Å; I667-Y669 VanDerWaalsContact O-CD2 3.24Å; I667-Y669 WeakPolarHBondContact O-CD2 3.32Å; I667-Y669 PolarHBondContact O-N 3.37Å; I667-N676 HydrophobicContact CG2-CB 4.09Å
668N54.6Low61.6Low97 Ų9767.9 Ų67.952%0.51936%0.359SS..  trans-74.5103-177.3-78.9-19.9000103.7F38 L666F38-N668 HydrophobicContact CD2-CB 4.26Å; F38-N668 VanDerWaalsContact CE1-O 3.25Å; F38-N668 WeakPolarHBondContact CE1-O 3.36Å; F38-N668 HydrophobicContact CE2-CB 3.56Å; F38-N668 VanDerWaalsContact CE2-O 3.25Å; F38-N668 WeakPolarHBondContact CE2-O 3.29Å; F38-N668 HydrophobicContact CZ-CB 4.16Å; F38-N668 WeakPolarHBondContact CZ-O 3.19Å; L666-N668 PolarHBondContact O-N 3.08Å; L666-N668 PolarHBondContact O-OD1 3.41Å
669Y67.3Low62.4Low110 Ų11070.1 Ų70.143%0.43137%0.37SS..  trans-71139.9167.4-66.6-80.6000107.4I667 K674 N676 E679I667-Y669 HydrophobicContact CB-CE2 4.11Å; I667-Y669 HydrophobicContact CG2-CD2 4.37Å; I667-Y669 HydrophobicContact CG2-CE1 4.06Å; I667-Y669 HydrophobicContact CG2-CE2 3.83Å; I667-Y669 VanDerWaalsContact O-CD2 3.24Å; I667-Y669 WeakPolarHBondContact O-CD2 3.32Å; I667-Y669 PolarHBondContact O-N 3.37Å; Y669-K674 VanDerWaalsContact CD1-O 3.26Å; Y669-K674 WeakPolarHBondContact CD1-O 3.46Å; Y669-N676 HydrophobicContact CD1-CB 4.27Å; Y669-N676 HydrophobicContact CE1-CB 4.28Å; Y669-E679 PolarHBondContact OH-OE2 3.14Å; Y669-E679 VanDerWaalsContact OH-OE2 3.1Å
670C63.1Low63.2Low0 Ų067.2 Ų67.20%036%0.355CS..  trans-54.7127.1175.1173.10000109.5F38 H39 N672 C673 K674 E675F38-C670 HydrophobicContact CD1-CB 3.97Å; H39-C670 WeakPolarHBondContact NE2-CB 3.35Å; H39-C670 PolarHBondContact NE2-SG 2.71Å; H39-C670 VanDerWaalsContact NE2-SG 3.45Å; C670-N672 PolarHBondContact O-N 3.17Å; C670-N672 VanDerWaalsContact O-N 3.12Å; C670-C673 VanDerWaalsContact CB-SG 3.53Å; C670-C673 VanDerWaalsContact SG-SG 3.62Å; C670-K674 WeakPolarHBondContact O-CA 3.35Å; C670-K674 PolarHBondContact O-N 2.99Å; C670-E675 WeakPolarHBondContact CB-O 3.4Å; C670-E675 PolarHBondContact N-O 3.42Å
671P65Low63.9Low67 Ų6764.4 Ų64.444%0.43534%0.335SS..THydrogen-bonded Turntrans-64.3-22.2-177.324.8-33.2000112.4H36 K674H36-P671 WeakPolarHBondContact NE2-CG 3.24Å; P671-K674 WeakPolarHBondContact O-CE 3.49Å; P671-K674 PolarHBondContact O-NZ 3.07Å
672N70.1Confident64.5Low115 Ų11567 Ų6762%0.61535%0.349SS*.THydrogen-bonded Turntrans-85-59.5179.9-67.90.9000112.5C670C670-N672 PolarHBondContact O-N 3.17Å; C670-N672 VanDerWaalsContact O-N 3.12Å
673C74Confident65.3Low32 Ų3266.1 Ų66.122%0.21635%0.347CS..THydrogen-bonded Turntrans-94.3-7.5-177.266.30000114.3C34 H39 C670 E675C34-C673 HydrophobicContact CB-CB 4.48Å; H39-C673 PolarHBondContact NE2-SG 3.25Å; C670-C673 VanDerWaalsContact CB-SG 3.53Å; C670-C673 VanDerWaalsContact SG-SG 3.62Å; C673-E675 PolarHBondContact O-N 3.2Å
674K77.6Confident66.6Low136 Ų13658.6 Ų58.659%0.59131%0.314SS*.  trans63.621.1-177.1-50-55.4-171.4-167.30114.9Y669 C670 P671Y669-K674 VanDerWaalsContact CD1-O 3.26Å; Y669-K674 WeakPolarHBondContact CD1-O 3.46Å; C670-K674 WeakPolarHBondContact O-CA 3.35Å; C670-K674 PolarHBondContact O-N 2.99Å; P671-K674 WeakPolarHBondContact O-CE 3.49Å; P671-K674 PolarHBondContact O-NZ 3.07Å
675E79.1Confident67.8Low23 Ų2357 Ų5711%0.10730%0.301CS..  trans-112.6152.4-176.4-62.3-69.5174.800112.6R27 S31 H39 C670 C673R27-E675 IonicContact CZ-OE1 3.99Å; R27-E675 IonicContact CZ-OE2 2.65Å; R27-E675 IonicContact NE-OE1 3.81Å; R27-E675 PolarHBondContact NE-OE1 3.4Å; R27-E675 IonicContact NE-OE2 2.78Å; R27-E675 PolarHBondContact NE-OE2 2.95Å; R27-E675 IonicContact NH2-OE1 3.45Å; R27-E675 PolarHBondContact NH2-OE1 2.99Å; R27-E675 IonicContact NH2-OE2 3.54Å; R27-E675 PolarHBondContact NH2-OE2 3.39Å; S31-E675 WeakPolarHBondContact OG-CB 3.18Å; S31-E675 WeakPolarHBondContact OG-CG 3.33Å; H39-E675 PolarHBondContact CE1-O 3.31Å; C670-E675 WeakPolarHBondContact CB-O 3.4Å; C670-E675 PolarHBondContact N-O 3.42Å; C673-E675 PolarHBondContact O-N 3.2Å
676N78.4Confident69Low35 Ų3556.1 Ų56.119%0.18729%0.291CS..  trans-112115.2163.5-176.9-50.3000108.1I667 Y669 G678 E679 L680I667-N676 HydrophobicContact CG2-CB 4.09Å; Y669-N676 HydrophobicContact CD1-CB 4.27Å; Y669-N676 HydrophobicContact CE1-CB 4.28Å; N676-G678 VanDerWaalsContact C-N 3.31Å; N676-G678 PolarHBondContact O-N 3.24Å; N676-G678 PolarHBondContact OD1-N 3.42Å; N676-E679 HydrophobicContact CB-CB 4.03Å; N676-E679 PolarHBondContact O-N 2.82Å; N676-E679 PolarHBondContact OD1-N 2.9Å; N676-L680 VanDerWaalsContact O-CB 3.31Å; N676-L680 WeakPolarHBondContact O-CB 3.27Å; N676-L680 PolarHBondContact O-N 2.99Å
677I78.2Confident70Confident3 Ų351.3 Ų51.32%0.01527%0.268CS..Hα-helixtrans-70.1-28.8-170.8-158.7129.4000113.2L28 V32 F42 W43 L681L28-I677 HydrophobicContact CD1-CD1 4.21Å; L28-I677 HydrophobicContact CD1-CG1 4.27Å; V32-I677 HydrophobicContact CG2-CD1 3.94Å; F42-I677 HydrophobicContact CB-CG2 4.1Å; F42-I677 HydrophobicContact CD1-CG2 3.4Å; F42-I677 VanDerWaalsContact CD1-CG2 3.4Å; F42-I677 HydrophobicContact CD2-CG2 3.8Å; F42-I677 HydrophobicContact CE1-CG2 3.63Å; F42-I677 HydrophobicContact CE2-CG2 4Å; F42-I677 HydrophobicContact CG-CG2 3.48Å; F42-I677 VanDerWaalsContact CG-CG2 3.48Å; F42-I677 HydrophobicContact CZ-CG2 3.91Å; W43-I677 HydrophobicContact CZ2-CD1 3.52Å; W43-I677 HydrophobicContact CZ2-CG1 3.87Å; I677-L681 HydrophobicContact CG1-CD1 4.39Å; I677-L681 WeakPolarHBondContact O-CB 3.44Å; I677-L681 WeakPolarHBondContact O-CD1 3.35Å; I677-L681 WeakPolarHBondContact O-CG 3.42Å; I677-L681 PolarHBondContact O-N 3.09Å
678G73.6Confident70.5Confident20 Ų2048.5 Ų48.521%0.20626%0.255CS..Hα-helixtrans-68.3-48.3175.300000111.2N676 L681 D682N676-G678 VanDerWaalsContact C-N 3.31Å; N676-G678 PolarHBondContact O-N 3.24Å; N676-G678 PolarHBondContact OD1-N 3.42Å; G678-L681 PolarHBondContact O-N 3.37Å; G678-D682 PolarHBondContact O-N 3.04Å
679E75.6Confident70.5Confident67 Ų6749.3 Ų49.331%0.31326%0.264SS..Hα-helixtrans-61.7-45.1176.4-169.2174.7-15900111.1Y669 N676 L681 D682 D683Y669-E679 PolarHBondContact OH-OE2 3.14Å; Y669-E679 VanDerWaalsContact OH-OE2 3.1Å; N676-E679 HydrophobicContact CB-CB 4.03Å; N676-E679 PolarHBondContact O-N 2.82Å; N676-E679 PolarHBondContact OD1-N 2.9Å; E679-L681 VanDerWaalsContact C-N 3.33Å; E679-L681 PolarHBondContact O-N 2.67Å; E679-D682 PolarHBondContact O-N 3.05Å; E679-D682 VanDerWaalsContact O-N 3.16Å; E679-D683 PolarHBondContact O-N 3.39Å
680L79.1Confident69.3Low1 Ų146.5 Ų46.51%0.00526%0.26CS..Hα-helixtrans-61.2-39.7178.4-177.262000112.8L24 R27 L28 N676 D683 I684L24-L680 HydrophobicContact CB-CD1 4.48Å; L24-L680 HydrophobicContact CD2-CD1 4.14Å; R27-L680 HydrophobicContact CB-CD1 4.16Å; R27-L680 HydrophobicContact CB-CD2 4.06Å; L28-L680 HydrophobicContact CB-CD2 4.03Å; L28-L680 HydrophobicContact CD1-CD2 4.18Å; N676-L680 VanDerWaalsContact O-CB 3.31Å; N676-L680 WeakPolarHBondContact O-CB 3.27Å; N676-L680 PolarHBondContact O-N 2.99Å; L680-D683 PolarHBondContact O-N 3.45Å; L680-I684 HydrophobicContact CD1-CD1 4.48Å; L680-I684 HydrophobicContact CG-CD1 4.17Å; L680-I684 WeakPolarHBondContact O-CD1 3.23Å; L680-I684 WeakPolarHBondContact O-CG1 3.48Å; L680-I684 PolarHBondContact O-N 3.46Å
681L75.7Confident68.1Low4 Ų453.3 Ų53.32%0.02130%0.297CS..Hα-helixtrans-67.8-39.3176-73.6168.9000111.7I8 I11 L28 F42 I677 G678 E679 I684 I685I8-L681 HydrophobicContact CD1-CD1 4.07Å; I8-L681 HydrophobicContact CG1-CD1 3.65Å; I8-L681 HydrophobicContact CG1-CD2 3.96Å; I8-L681 HydrophobicContact CG1-CG 4.47Å; I11-L681 HydrophobicContact CD1-CD2 3.72Å; L28-L681 HydrophobicContact CD1-CD2 3.93Å; L28-L681 HydrophobicContact CD1-CG 4.4Å; L28-L681 HydrophobicContact CD2-CD2 4.4Å; F42-L681 HydrophobicContact CE1-CD1 4.32Å; F42-L681 HydrophobicContact CZ-CD1 3.94Å; I677-L681 HydrophobicContact CG1-CD1 4.39Å; I677-L681 WeakPolarHBondContact O-CB 3.44Å; I677-L681 WeakPolarHBondContact O-CD1 3.35Å; I677-L681 WeakPolarHBondContact O-CG 3.42Å; I677-L681 PolarHBondContact O-N 3.09Å; G678-L681 PolarHBondContact O-N 3.37Å; E679-L681 VanDerWaalsContact C-N 3.33Å; E679-L681 PolarHBondContact O-N 2.67Å; L681-I684 PolarHBondContact O-N 2.97Å; L681-I685 VanDerWaalsContact O-CG1 3.31Å; L681-I685 WeakPolarHBondContact O-CG1 2.86Å; L681-I685 PolarHBondContact O-N 2.91Å; L681-I685 VanDerWaalsContact O-N 3.14Å
682D70.6Confident66.8Low82 Ų8255 Ų5544%0.43931%0.305SS..Hα-helixtrans-64.9-43.1175.1-74.9-20000110.8G678 E679 I684 I685 I686G678-D682 PolarHBondContact O-N 3.04Å; E679-D682 PolarHBondContact O-N 3.05Å; E679-D682 VanDerWaalsContact O-N 3.16Å; D682-I684 VanDerWaalsContact C-N 3.34Å; D682-I684 PolarHBondContact O-N 2.92Å; D682-I685 PolarHBondContact O-N 3.25Å; D682-I686 WeakPolarHBondContact O-CB 3.16Å; D682-I686 VanDerWaalsContact O-CG1 3.26Å; D682-I686 WeakPolarHBondContact O-CG1 3.28Å; D682-I686 PolarHBondContact O-N 3.47Å
683D72Confident64.9Low62 Ų6255.7 Ų55.733%0.33231%0.314SS..Hα-helixtrans-58.8-43.5175.6-74-15.9000111.8L24 E679 L680 I685 I686 S687L24-D683 HydrophobicContact CD1-CB 4.47Å; E679-D683 PolarHBondContact O-N 3.39Å; L680-D683 PolarHBondContact O-N 3.45Å; D683-I685 VanDerWaalsContact C-N 3.33Å; D683-I685 PolarHBondContact O-N 3.47Å; D683-I686 PolarHBondContact O-N 3.32Å; D683-S687 WeakPolarHBondContact O-CB 3.17Å; D683-S687 PolarHBondContact O-N 3.46Å
684I71.3Confident63Low1 Ų157.9 Ų57.91%0.00533%0.334CS..Hα-helixtrans-61.4-42.3176.8-71160.4000111I11 L24 I25 L28 L680 L681 D682 S688I11-I684 HydrophobicContact CD1-CG2 4.46Å; I11-I684 HydrophobicContact CG1-CG2 4.46Å; L24-I684 HydrophobicContact CB-CG1 3.89Å; I25-I684 HydrophobicContact CD1-CD1 3.7Å; I25-I684 HydrophobicContact CD1-CG1 3.9Å; I25-I684 HydrophobicContact CD1-CG2 3.78Å; L28-I684 HydrophobicContact CB-CD1 4.15Å; L28-I684 HydrophobicContact CD2-CD1 4.02Å; L28-I684 HydrophobicContact CG-CD1 4.45Å; L680-I684 HydrophobicContact CD1-CD1 4.48Å; L680-I684 HydrophobicContact CG-CD1 4.17Å; L680-I684 WeakPolarHBondContact O-CD1 3.23Å; L680-I684 WeakPolarHBondContact O-CG1 3.48Å; L680-I684 PolarHBondContact O-N 3.46Å; L681-I684 PolarHBondContact O-N 2.97Å; D682-I684 VanDerWaalsContact C-N 3.34Å; D682-I684 PolarHBondContact O-N 2.92Å; I684-S688 WeakPolarHBondContact O-CB 3.13Å; I684-S688 PolarHBondContact O-N 3.34Å
685I66.5Low60.9Low18 Ų1857.3 Ų57.39%0.09234%0.338CS..Hα-helixtrans-72.7-38.2-179.3-67.1166.6000111.5S7 L681 D682 D683 S688 T689S7-I685 VanDerWaalsContact CB-CD1 3.41Å; L681-I685 VanDerWaalsContact O-CG1 3.31Å; L681-I685 WeakPolarHBondContact O-CG1 2.86Å; L681-I685 PolarHBondContact O-N 2.91Å; L681-I685 VanDerWaalsContact O-N 3.14Å; D682-I685 PolarHBondContact O-N 3.25Å; D683-I685 VanDerWaalsContact C-N 3.33Å; D683-I685 PolarHBondContact O-N 3.47Å; I685-S688 PolarHBondContact O-N 3.3Å; I685-S688 PolarHBondContact O-OG 3.27Å; I685-T689 PolarHBondContact O-N 3.41Å; I685-T689 PolarHBondContact O-OG1 3.04Å
686I65.6Low59Low103 Ų10361.1 Ų61.153%0.52837%0.365SS..Hα-helixtrans-64.3-50.2175.7-68.8165.4000108.7D682 D683 S688 T689 S690D682-I686 WeakPolarHBondContact O-CB 3.16Å; D682-I686 VanDerWaalsContact O-CG1 3.26Å; D682-I686 WeakPolarHBondContact O-CG1 3.28Å; D682-I686 PolarHBondContact O-N 3.47Å; D683-I686 PolarHBondContact O-N 3.32Å; I686-S688 PolarHBondContact O-N 3.27Å; I686-T689 PolarHBondContact O-N 3.04Å; I686-T689 PolarHBondContact O-OG1 3.28Å; I686-T689 VanDerWaalsContact O-OG1 3.08Å; I686-S690 PolarHBondContact O-N 2.89Å; I686-S690 PolarHBondContact O-OG 3.09Å
687S64.1Low57Low29 Ų2964.8 Ų64.820%0.20339%0.389CS..Hα-helixtrans-53.3-39.7175.8166.70000112.6D683 T689D683-S687 WeakPolarHBondContact O-CB 3.17Å; D683-S687 PolarHBondContact O-N 3.46Å; S687-T689 VanDerWaalsContact C-N 3.33Å; S687-T689 PolarHBondContact O-N 3.28Å
688S59.5Low54.6Low13 Ų1374 Ų749%0.09143%0.432CS..Hα-helixtrans-73.4-22.1-178.973.90000114.7I684 I685 I686I684-S688 WeakPolarHBondContact O-CB 3.13Å; I684-S688 PolarHBondContact O-N 3.34Å; I685-S688 PolarHBondContact O-N 3.3Å; I685-S688 PolarHBondContact O-OG 3.27Å; I686-S688 PolarHBondContact O-N 3.27Å
689T54.1Low52.7Low115 Ų11579.3 Ų79.371%0.70649%0.487SS*.Hα-helixtrans-100.7-17.6-177.3520000113.4I685 I686 S687I685-T689 PolarHBondContact O-N 3.41Å; I685-T689 PolarHBondContact O-OG1 3.04Å; I686-T689 PolarHBondContact O-N 3.04Å; I686-T689 PolarHBondContact O-OG1 3.28Å; I686-T689 VanDerWaalsContact O-OG1 3.08Å; S687-T689 VanDerWaalsContact C-N 3.33Å; S687-T689 PolarHBondContact O-N 3.28Å
690S42Very low51.5Low50 Ų5080 Ų8035%0.3550%0.496SS..SBendtrans-94.9131175.254.40000111.8I686 V692I686-S690 PolarHBondContact O-N 2.89Å; I686-S690 PolarHBondContact O-OG 3.09Å; S690-V692 PolarHBondContact O-N 3.34Å; S690-V692 WeakPolarHBondContact OG-CG2 3.38Å
691N38.6Very low50.1Low144 Ų14484.1 Ų84.177%0.7752%0.522SS*.  trans-65.685.6159.2-80.4-17.7000107.7T693N691-T693 PolarHBondContact O-N 3.04Å; N691-T693 VanDerWaalsContact O-N 3.09Å
692V37.1Very low48.7Very low101 Ų10188.6 Ų88.661%0.61255%0.55SS*.  trans-73.4102.9174.6-1740000107.4S690 A694S690-V692 PolarHBondContact O-N 3.34Å; S690-V692 WeakPolarHBondContact OG-CG2 3.38Å; V692-A694 PolarHBondContact O-N 3.2Å; V692-A694 VanDerWaalsContact O-N 3.12Å
693T31.4Very low47.4Very low131 Ų13188.9 Ų88.980%0.80456%0.556SS**  trans-67.2101.415840.10000107.1N691 D695N691-T693 PolarHBondContact O-N 3.04Å; N691-T693 VanDerWaalsContact O-N 3.09Å; T693-D695 PolarHBondContact O-N 2.95Å
694A34.2Very low45.8Very low77 Ų7790.6 Ų90.664%0.63657%0.57SS**  trans-60.9119.116700000108V692 C696V692-A694 PolarHBondContact O-N 3.2Å; V692-A694 VanDerWaalsContact O-N 3.12Å; A694-C696 PolarHBondContact O-N 2.96Å; A694-C696 VanDerWaalsContact O-N 3.16Å
695D31.8Very low44.1Very low125 Ų12596.6 Ų96.667%0.66861%0.608SS**  trans-76.597.5168.4-163.1-11.6000107.4T693 T697T693-D695 PolarHBondContact O-N 2.95Å; D695-T697 PolarHBondContact O-N 2.82Å; D695-T697 VanDerWaalsContact O-N 3.09Å; D695-T697 WeakPolarHBondContact OD1-CB 3.3Å; D695-T697 WeakPolarHBondContact OD1-CG2 3.35Å; D695-T697 PolarHBondContact OD1-N 3.38Å; D695-T697 PolarHBondContact OD1-OG1 2.83Å; D695-T697 PolarHBondContact OD2-OG1 2.88Å
696C40.3Very low42.6Very low102 Ų102102.2 Ų102.269%0.68965%0.645SS**G310 helixtrans-76.220.3178.8-54.20000112.6A694 E698A694-C696 PolarHBondContact O-N 2.96Å; A694-C696 VanDerWaalsContact O-N 3.16Å; C696-E698 VanDerWaalsContact C-N 3.27Å; C696-E698 PolarHBondContact O-N 2.91Å
697T36.8Very low40.8Very low113 Ų113102.2 Ų102.269%0.69365%0.654SS**G310 helixtrans-73.7-15.2-178.442.80000113.6D695D695-T697 PolarHBondContact O-N 2.82Å; D695-T697 VanDerWaalsContact O-N 3.09Å; D695-T697 WeakPolarHBondContact OD1-CB 3.3Å; D695-T697 WeakPolarHBondContact OD1-CG2 3.35Å; D695-T697 PolarHBondContact OD1-N 3.38Å; D695-T697 PolarHBondContact OD1-OG1 2.83Å; D695-T697 PolarHBondContact OD2-OG1 2.88Å
698E27.8Very low38.8Very low196 Ų196108.3 Ų108.392%0.91669%0.691SS**G310 helixtrans-98.81176.9-67.4-165.3160.800115.8C696C696-E698 VanDerWaalsContact C-N 3.27Å; C696-E698 PolarHBondContact O-N 2.91Å
699G32.5Very low37Very low132 Ų132116.9 Ų116.9100%1.36175%0.746SS**  trans101.20171.300000114.9

Retrieved 699 of 699 residues in 207.2 ms (Link to these results)

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