G4V832_SCHMA Loading...

TFIIS N-terminal domain-containing protein

AlphaFold DB (G4V831), UniProt , Accession G4V832, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 758 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
1M38.3Very low67.4Low237 Ų237113.1 Ų113.1100%1.16758%0.579SS**  0132.80-65.1157.5177.700107.5
2N42.4Very low69.2Low161 Ų161109.8 Ų109.886%0.86156%0.563SS**  trans-151.355.9-173.9-96.5-36000113.7
3R48.5Very low70.8Confident237 Ų237110.6 Ų110.689%0.89456%0.563SS**  trans-72.9133.1157-90.5-176.1170.4168.5-2.2107.5V5R3-V5 PolarHBondContact O-N 3.11Å
4A53.2Low72Confident69 Ų69108.8 Ų108.857%0.5757%0.573SS**  trans-62.4109.5-177.400000110.5T6A4-T6 PolarHBondContact O-N 3.48Å
5V56.7Low73.1Confident62 Ų62103 Ų10338%0.37654%0.54SS..  trans-74.494.4179.2-174.40000109R3 E7 R10 L11R3-V5 PolarHBondContact O-N 3.11Å; V5-E7 VanDerWaalsContact C-N 3.3Å; V5-E7 VanDerWaalsContact CG1-O 3.29Å; V5-E7 WeakPolarHBondContact CG1-O 3.13Å; V5-R10 HydrophobicContact CG1-CB 3.86Å; V5-L11 HydrophobicContact CG1-CB 3.89Å
6T66.1Low74.2Confident110 Ų110101.1 Ų101.168%0.67554%0.538SS*.  trans-88.7-0.1170.252.80000112.6A4A4-T6 PolarHBondContact O-N 3.48Å
7E83.4Confident75.2Confident74 Ų74104.6 Ų104.635%0.34655%0.551SS.*  trans-105.2117.8-172.1-172.8175.2169.600109.2V5 T9 R10 L11V5-E7 VanDerWaalsContact C-N 3.3Å; V5-E7 VanDerWaalsContact CG1-O 3.29Å; V5-E7 WeakPolarHBondContact CG1-O 3.13Å; E7-T9 PolarHBondContact O-N 3.24Å; E7-R10 HydrophobicContact CG-CG 4.34Å; E7-R10 PolarHBondContact O-N 3.07Å; E7-R10 IonicContact OE1-CZ 3.46Å; E7-R10 IonicContact OE1-NE 3.51Å; E7-R10 IonicContact OE1-NH1 3.85Å; E7-R10 IonicContact OE1-NH2 3.68Å; E7-R10 WeakPolarHBondContact OE2-CD 3.42Å; E7-R10 IonicContact OE2-CZ 3.01Å; E7-R10 IonicContact OE2-NE 3.34Å; E7-R10 PolarHBondContact OE2-NE 2.8Å; E7-R10 IonicContact OE2-NH1 2.62Å; E7-R10 PolarHBondContact OE2-NH1 2.62Å; E7-R10 IonicContact OE2-NH2 3.75Å; E7-L11 PolarHBondContact O-N 3.06Å
8P87.7Confident76.2Confident65 Ų65102.2 Ų102.242%0.42254%0.536SS..Hα-helixtrans-68.7-35.8-164.525-34.3000113.5L11 L12 V45 I49P8-L11 PolarHBondContact O-N 3.34Å; P8-L12 PolarHBondContact O-N 3.17Å; P8-V45 HydrophobicContact CB-CG1 3.93Å; P8-I49 HydrophobicContact CB-CD1 3.86Å
9T89.6Confident77.2Confident72 Ų7298.4 Ų98.444%0.44252%0.516SS..Hα-helixtrans-59.9-54.1177.345.50000111.1E7 L11 L12 E13E7-T9 PolarHBondContact O-N 3.24Å; T9-L11 PolarHBondContact O-N 3.44Å; T9-L12 CarbonylContact O-C 3.59Å; T9-L12 PolarHBondContact O-N 3.14Å; T9-E13 WeakPolarHBondContact O-CB 3.46Å; T9-E13 VanDerWaalsContact O-CG 3.28Å; T9-E13 WeakPolarHBondContact O-CG 3.29Å; T9-E13 PolarHBondContact O-N 2.88Å
10R88.1Confident78Confident141 Ų14195.9 Ų95.953%0.53251%0.505SS..Hα-helixtrans-59.4-30.7178.2-69.8-173-178.51484.9114V5 E7 A14V5-R10 HydrophobicContact CG1-CB 3.86Å; E7-R10 HydrophobicContact CG-CG 4.34Å; E7-R10 PolarHBondContact O-N 3.07Å; E7-R10 IonicContact OE1-CZ 3.46Å; E7-R10 IonicContact OE1-NE 3.51Å; E7-R10 IonicContact OE1-NH1 3.85Å; E7-R10 IonicContact OE1-NH2 3.68Å; E7-R10 WeakPolarHBondContact OE2-CD 3.42Å; E7-R10 IonicContact OE2-CZ 3.01Å; E7-R10 IonicContact OE2-NE 3.34Å; E7-R10 PolarHBondContact OE2-NE 2.8Å; E7-R10 IonicContact OE2-NH1 2.62Å; E7-R10 PolarHBondContact OE2-NH1 2.62Å; E7-R10 IonicContact OE2-NH2 3.75Å; R10-A14 VanDerWaalsContact O-CB 3.29Å; R10-A14 WeakPolarHBondContact O-CB 3.38Å; R10-A14 PolarHBondContact O-N 2.99Å; R10-A14 VanDerWaalsContact O-N 3.17Å
11L87.8Confident78.6Confident16 Ų16100.1 Ų100.18%0.08453%0.528CS..Hα-helixtrans-70.6-47.7174.9-162.6153.6000110.1V5 E7 P8 T9 A14 Y15 L36 P46 I49V5-L11 HydrophobicContact CG1-CB 3.89Å; E7-L11 PolarHBondContact O-N 3.06Å; P8-L11 PolarHBondContact O-N 3.34Å; T9-L11 PolarHBondContact O-N 3.44Å; L11-A14 PolarHBondContact O-N 2.99Å; L11-Y15 VanDerWaalsContact O-CB 3.31Å; L11-Y15 WeakPolarHBondContact O-CB 3.29Å; L11-Y15 PolarHBondContact O-N 3.01Å; L11-Y15 VanDerWaalsContact O-N 3.13Å; L11-L36 HydrophobicContact CD2-CD2 4.13Å; L11-P46 HydrophobicContact CD1-CB 3.95Å; L11-P46 HydrophobicContact CD1-CG 3.7Å; L11-I49 HydrophobicContact CB-CD1 4.02Å; L11-I49 HydrophobicContact CD1-CD1 4.26Å; L11-I49 HydrophobicContact CD2-CB 4.46Å; L11-I49 HydrophobicContact CD2-CD1 4.04Å; L11-I49 HydrophobicContact CD2-CG2 3.92Å; L11-I49 HydrophobicContact CG-CD1 4.33Å
12L89.1Confident81.1Confident74 Ų7492.7 Ų92.739%0.38750%0.499SS..Hα-helixtrans-64.6-40176.9-72.4167.9000113P8 T9 Y15 S16 L19 I49P8-L12 PolarHBondContact O-N 3.17Å; T9-L12 CarbonylContact O-C 3.59Å; T9-L12 PolarHBondContact O-N 3.14Å; L12-Y15 CarbonylContact O-C 3.44Å; L12-Y15 PolarHBondContact O-N 3.35Å; L12-Y15 VanDerWaalsContact O-N 3.1Å; L12-S16 PolarHBondContact O-N 3.24Å; L12-L19 HydrophobicContact CD2-CD1 4.24Å; L12-I49 HydrophobicContact CD2-CG2 3.64Å; L12-I49 HydrophobicContact CG-CG2 4.18Å
13E88.9Confident83.4Confident120 Ų12086.4 Ų86.456%0.56147%0.473SS*.Hα-helixtrans-56.8-52.7173.8-73.3158.1-158.400110.7T9 Y15 S16T9-E13 WeakPolarHBondContact O-CB 3.46Å; T9-E13 VanDerWaalsContact O-CG 3.28Å; T9-E13 WeakPolarHBondContact O-CG 3.29Å; T9-E13 PolarHBondContact O-N 2.88Å; E13-Y15 PolarHBondContact O-N 2.73Å; E13-Y15 VanDerWaalsContact O-N 3.14Å; E13-S16 WeakPolarHBondContact O-CB 3.28Å; E13-S16 PolarHBondContact O-N 3.42Å; E13-S16 PolarHBondContact O-OG 3.09Å
14A87.8Confident85.6Confident85 Ų8575.1 Ų75.170%0.70243%0.43SS*.THydrogen-bonded Turntrans-68.2-7.2177.100000114.3R10 L11R10-A14 VanDerWaalsContact O-CB 3.29Å; R10-A14 WeakPolarHBondContact O-CB 3.38Å; R10-A14 PolarHBondContact O-N 2.99Å; R10-A14 VanDerWaalsContact O-N 3.17Å; L11-A14 PolarHBondContact O-N 2.99Å
15Y89.3Confident87.6Confident22 Ų2271.9 Ų71.99%0.08640%0.403CS..THydrogen-bonded Turntrans-113.2-1.5178.8-137.7-102.7000113.5L11 L12 E13 E17 H18 L19 I25 A32 L33 L36 I53L11-Y15 VanDerWaalsContact O-CB 3.31Å; L11-Y15 WeakPolarHBondContact O-CB 3.29Å; L11-Y15 PolarHBondContact O-N 3.01Å; L11-Y15 VanDerWaalsContact O-N 3.13Å; L12-Y15 CarbonylContact O-C 3.44Å; L12-Y15 PolarHBondContact O-N 3.35Å; L12-Y15 VanDerWaalsContact O-N 3.1Å; E13-Y15 PolarHBondContact O-N 2.73Å; E13-Y15 VanDerWaalsContact O-N 3.14Å; Y15-E17 VanDerWaalsContact C-N 3.29Å; Y15-E17 PolarHBondContact O-N 3.31Å; Y15-H18 HydrophobicContact CD1-CB 3.91Å; Y15-H18 HydrophobicContact CE1-CB 3.74Å; Y15-H18 AromaticContact CE2-CD2 3.75Å; Y15-H18 AromaticContact CZ-CD2 3.72Å; Y15-H18 WeakPolarHBondContact O-CB 3.31Å; Y15-H18 PolarHBondContact O-N 3.05Å; Y15-L19 HydrophobicContact CD1-CD2 4.16Å; Y15-L19 HydrophobicContact CD1-CG 4.25Å; Y15-I25 HydrophobicContact CE1-CD1 3.64Å; Y15-A32 VanDerWaalsContact OH-CB 3.28Å; Y15-A32 WeakPolarHBondContact OH-CB 3.41Å; Y15-A32 PolarHBondContact OH-O 3.42Å; Y15-A32 VanDerWaalsContact OH-O 3.07Å; Y15-L33 VanDerWaalsContact OH-CA 3.27Å; Y15-L33 WeakPolarHBondContact OH-CA 3.44Å; Y15-L33 PolarHBondContact OH-N 3.49Å; Y15-L36 HydrophobicContact CD2-CD2 4.23Å; Y15-L36 HydrophobicContact CE1-CD2 4.44Å; Y15-L36 HydrophobicContact CE2-CB 4.43Å; Y15-L36 HydrophobicContact CE2-CD2 3.95Å; Y15-I53 HydrophobicContact CD1-CD1 4.3Å
16S90.5Very high89.4Confident72 Ų7271.3 Ų71.350%0.50340%0.397SS..G310 helixtrans-58.3-37.9-173.455.10000113.1L12 E13 H18 L19L12-S16 PolarHBondContact O-N 3.24Å; E13-S16 WeakPolarHBondContact O-CB 3.28Å; E13-S16 PolarHBondContact O-N 3.42Å; E13-S16 PolarHBondContact O-OG 3.09Å; S16-H18 PolarHBondContact O-N 3.07Å; S16-L19 PolarHBondContact O-N 3.1Å; S16-L19 VanDerWaalsContact O-N 3.16Å
17E91.7Very high90.6Very high162 Ų16273.2 Ų73.276%0.75740%0.398SS*.G310 helixtrans-63.9-6.9175.4-60.4-175.2-176.700114.7Y15 M26Y15-E17 VanDerWaalsContact C-N 3.29Å; Y15-E17 PolarHBondContact O-N 3.31Å; E17-M26 WeakPolarHBondContact O-CE 3.48Å
18H92.8Very high91.1Very high60 Ų6076.5 Ų76.528%0.27841%0.414SS..G310 helixtrans-110.3-8178.9-65.3-26.2000113.6Y15 S16 I25 M26 S29Y15-H18 HydrophobicContact CD1-CB 3.91Å; Y15-H18 HydrophobicContact CE1-CB 3.74Å; Y15-H18 AromaticContact CE2-CD2 3.75Å; Y15-H18 AromaticContact CZ-CD2 3.72Å; Y15-H18 WeakPolarHBondContact O-CB 3.31Å; Y15-H18 PolarHBondContact O-N 3.05Å; S16-H18 PolarHBondContact O-N 3.07Å; H18-I25 HydrophobicContact CB-CD1 4.07Å; H18-I25 WeakPolarHBondContact O-CD1 3.13Å; H18-M26 PolarHBondContact O-N 3.19Å; H18-S29 PolarHBondContact ND1-OG 3.35Å
19L94.5Very high91.4Very high30 Ų3073.9 Ų73.916%0.15740%0.397CS..BIsolated β-bridgetrans-100.4156.2-172.9-61.9174.8000112.5L12 Y15 S16 G24 I25 I53L12-L19 HydrophobicContact CD2-CD1 4.24Å; Y15-L19 HydrophobicContact CD1-CD2 4.16Å; Y15-L19 HydrophobicContact CD1-CG 4.25Å; S16-L19 PolarHBondContact O-N 3.1Å; S16-L19 VanDerWaalsContact O-N 3.16Å; L19-G24 CarbonylContact C-O 3.59Å; L19-G24 WeakPolarHBondContact CA-O 3.41Å; L19-G24 VanDerWaalsContact CD2-O 3.3Å; L19-G24 WeakPolarHBondContact CD2-O 3.41Å; L19-I25 HydrophobicContact CD2-CD1 4.28Å; L19-I53 HydrophobicContact CD2-CB 4.43Å; L19-I53 HydrophobicContact CD2-CD1 3.94Å; L19-I53 HydrophobicContact CD2-CG1 3.83Å; L19-I53 HydrophobicContact CD2-CG2 3.7Å
20T93.4Very high91.7Very high48 Ų4870.6 Ų70.629%0.29438%0.377SS..  trans-84.9164.4167.459.10000110.8S22 G23 G24 M26T20-S22 PolarHBondContact O-N 3.13Å; T20-S22 PolarHBondContact OG1-OG 3.16Å; T20-G23 PolarHBondContact O-N 2.94Å; T20-G24 PolarHBondContact N-O 3.26Å; T20-G24 WeakPolarHBondContact OG1-CA 3.42Å; T20-G24 PolarHBondContact OG1-N 2.97Å; T20-G24 PolarHBondContact OG1-O 3.28Å; T20-M26 HydrophobicContact CG2-CG 3.87Å
21D90.8Very high91.9Very high186 Ų18667.5 Ų67.5100%0.99538%0.377SS*.THydrogen-bonded Turntrans-56.5-20.4172.4-55.1-46.2000113.5
22S90.5Very high92.2Very high81 Ų8168 Ų6857%0.56638%0.383SS*.THydrogen-bonded Turntrans-85.7-1.6174.5680000114.5T20 G24 S56T20-S22 PolarHBondContact O-N 3.13Å; T20-S22 PolarHBondContact OG1-OG 3.16Å; S22-G24 VanDerWaalsContact C-N 3.3Å; S22-S56 WeakPolarHBondContact O-CB 3.05Å; S22-S56 PolarHBondContact OG-O 3.05Å
23G91.9Very high92.5Very high29 Ų2964.5 Ų64.530%0.29936%0.364SS..SBendtrans75.811.5-173.300000114.9T20T20-G23 PolarHBondContact O-N 2.94Å
24G93.9Very high92.8Very high0 Ų059.8 Ų59.80%034%0.344CS..PPolyproline II helixtrans-82.9173.4170.400000111.9L19 T20 S22 S56 S57L19-G24 CarbonylContact C-O 3.59Å; L19-G24 WeakPolarHBondContact CA-O 3.41Å; L19-G24 VanDerWaalsContact CD2-O 3.3Å; L19-G24 WeakPolarHBondContact CD2-O 3.41Å; T20-G24 PolarHBondContact N-O 3.26Å; T20-G24 WeakPolarHBondContact OG1-CA 3.42Å; T20-G24 PolarHBondContact OG1-N 2.97Å; T20-G24 PolarHBondContact OG1-O 3.28Å; S22-G24 VanDerWaalsContact C-N 3.3Å; G24-S56 WeakPolarHBondContact CA-O 3.39Å; G24-S57 WeakPolarHBondContact CA-OG 3.47Å
25I95.4Very high93Very high0 Ų062.1 Ų62.10%034%0.34CS..BIsolated β-bridgetrans-84140.7174-161.572.3000110.9Y15 H18 L19 V30 L33 I53 S57 I61 L65Y15-I25 HydrophobicContact CE1-CD1 3.64Å; H18-I25 HydrophobicContact CB-CD1 4.07Å; H18-I25 WeakPolarHBondContact O-CD1 3.13Å; L19-I25 HydrophobicContact CD2-CD1 4.28Å; I25-V30 HydrophobicContact CG2-CG2 4.23Å; I25-L33 HydrophobicContact CB-CD2 3.97Å; I25-L33 HydrophobicContact CD1-CB 3.94Å; I25-L33 HydrophobicContact CD1-CD2 4.3Å; I25-L33 HydrophobicContact CG1-CB 4.1Å; I25-L33 HydrophobicContact CG1-CD2 4.14Å; I25-L33 HydrophobicContact CG2-CD2 4.13Å; I25-I53 HydrophobicContact CB-CG2 3.85Å; I25-I53 HydrophobicContact CD1-CG2 4.38Å; I25-S57 PolarHBondContact N-OG 2.72Å; I25-I61 HydrophobicContact CG2-CG2 3.36Å; I25-I61 WeakPolarHBondContact O-CD1 3.4Å; I25-L65 HydrophobicContact CG2-CD1 4.07Å
26M94Very high93.1Very high50 Ų5062.3 Ų62.325%0.24634%0.343CS..PPolyproline II helixtrans-71150.5168.9-70.9-165.7-77.900111.7E17 H18 T20 Q28 S29 V30E17-M26 WeakPolarHBondContact O-CE 3.48Å; H18-M26 PolarHBondContact O-N 3.19Å; T20-M26 HydrophobicContact CG2-CG 3.87Å; M26-Q28 VanDerWaalsContact C-N 3.3Å; M26-Q28 PolarHBondContact O-N 2.79Å; M26-Q28 PolarHBondContact SD-NE2 2.85Å; M26-S29 PolarHBondContact O-N 3.01Å; M26-V30 PolarHBondContact O-N 3.2Å
27Q92.6Very high93.3Very high151 Ų15158.9 Ų58.971%0.70632%0.319SS*.G310 helixtrans-59.8-37.2-175.4-171.5177.77.300113S29 V30 I61Q27-S29 PolarHBondContact O-N 3.5Å; Q27-V30 WeakPolarHBondContact O-CG2 3.28Å; Q27-I61 HydrophobicContact CB-CD1 4.38Å
28Q93Very high93.4Very high143 Ų14354.1 Ų54.167%0.66830%0.303SS*.G310 helixtrans-74.3-10.4175.669.6-80.98.500114.3M26M26-Q28 VanDerWaalsContact C-N 3.3Å; M26-Q28 PolarHBondContact O-N 2.79Å; M26-Q28 PolarHBondContact SD-NE2 2.85Å
29S94.1Very high93.3Very high9 Ų954.2 Ų54.26%0.06331%0.311CS..G310 helixtrans-109.48.2-175.1-58.30000113.6H18 M26 Q27 S31 A32 L33H18-S29 PolarHBondContact ND1-OG 3.35Å; M26-S29 PolarHBondContact O-N 3.01Å; Q27-S29 PolarHBondContact O-N 3.5Å; S29-S31 PolarHBondContact O-N 2.68Å; S29-A32 PolarHBondContact O-N 3.29Å; S29-L33 PolarHBondContact O-N 2.85Å
30V94.9Very high92.9Very high4 Ų452.8 Ų52.82%0.02430%0.303CS..Hα-helixtrans-54.6-47.9176.91690000111.9I25 M26 Q27 A32 L33 V34 I61 L65 D68I25-V30 HydrophobicContact CG2-CG2 4.23Å; M26-V30 PolarHBondContact O-N 3.2Å; Q27-V30 WeakPolarHBondContact O-CG2 3.28Å; V30-A32 PolarHBondContact O-N 3.47Å; V30-L33 WeakPolarHBondContact O-CB 3.27Å; V30-L33 PolarHBondContact O-N 3.33Å; V30-L33 VanDerWaalsContact O-N 3.11Å; V30-V34 PolarHBondContact O-N 3.33Å; V30-V34 VanDerWaalsContact O-N 3.14Å; V30-I61 HydrophobicContact CG2-CG2 3.98Å; V30-L65 HydrophobicContact CG1-CD2 3.83Å; V30-L65 HydrophobicContact CG1-CG 4.09Å; V30-D68 HydrophobicContact CG1-CB 4.22Å
31S93.8Very high92.2Very high76 Ų7654 Ų5453%0.53131%0.308SS..Hα-helixtrans-60.3-42.8-179.6-48.20000112.7S29 L33 V34 E35S29-S31 PolarHBondContact O-N 2.68Å; S31-L33 VanDerWaalsContact C-N 3.26Å; S31-L33 PolarHBondContact O-N 3.15Å; S31-V34 WeakPolarHBondContact O-CB 3.43Å; S31-V34 PolarHBondContact O-N 3.05Å; S31-V34 VanDerWaalsContact O-N 3.11Å; S31-E35 PolarHBondContact O-N 3.2Å
32A93.4Very high91.7Very high26 Ų2655.7 Ų55.722%0.21530%0.3CS..Hα-helixtrans-61.1-36.7177.200000111.5Y15 S29 V30 E35 L36Y15-A32 VanDerWaalsContact OH-CB 3.28Å; Y15-A32 WeakPolarHBondContact OH-CB 3.41Å; Y15-A32 PolarHBondContact OH-O 3.42Å; Y15-A32 VanDerWaalsContact OH-O 3.07Å; S29-A32 PolarHBondContact O-N 3.29Å; V30-A32 PolarHBondContact O-N 3.47Å; A32-E35 WeakPolarHBondContact O-CB 3.3Å; A32-E35 PolarHBondContact O-N 3.37Å; A32-L36 PolarHBondContact O-N 3.23Å
33L94.8Very high91.6Very high0 Ų056.2 Ų56.20%029%0.292CS..Hα-helixtrans-67.5-38.3176.6-177.259.4000111.1Y15 I25 S29 V30 S31 E35 L36 M37 I53 I54 L65Y15-L33 VanDerWaalsContact OH-CA 3.27Å; Y15-L33 WeakPolarHBondContact OH-CA 3.44Å; Y15-L33 PolarHBondContact OH-N 3.49Å; I25-L33 HydrophobicContact CB-CD2 3.97Å; I25-L33 HydrophobicContact CD1-CB 3.94Å; I25-L33 HydrophobicContact CD1-CD2 4.3Å; I25-L33 HydrophobicContact CG1-CB 4.1Å; I25-L33 HydrophobicContact CG1-CD2 4.14Å; I25-L33 HydrophobicContact CG2-CD2 4.13Å; S29-L33 PolarHBondContact O-N 2.85Å; V30-L33 WeakPolarHBondContact O-CB 3.27Å; V30-L33 PolarHBondContact O-N 3.33Å; V30-L33 VanDerWaalsContact O-N 3.11Å; S31-L33 VanDerWaalsContact C-N 3.26Å; S31-L33 PolarHBondContact O-N 3.15Å; L33-E35 VanDerWaalsContact C-N 3.33Å; L33-L36 HydrophobicContact CD1-CD2 4.14Å; L33-L36 PolarHBondContact O-N 3.05Å; L33-M37 HydrophobicContact CD1-CG 4.48Å; L33-M37 HydrophobicContact CG-SD 4.35Å; L33-M37 WeakPolarHBondContact O-CB 3.5Å; L33-M37 WeakPolarHBondContact O-CG 3.37Å; L33-M37 PolarHBondContact O-N 3.47Å; L33-I53 HydrophobicContact CD1-CD1 4.22Å; L33-I53 HydrophobicContact CD1-CG2 4.34Å; L33-I53 HydrophobicContact CD2-CB 4.43Å; L33-I53 HydrophobicContact CD2-CG2 3.73Å; L33-I54 HydrophobicContact CD2-CG1 4.23Å; L33-L65 HydrophobicContact CB-CD2 4.49Å; L33-L65 HydrophobicContact CD2-CD1 4.25Å; L33-L65 HydrophobicContact CD2-CD2 3.96Å; L33-L65 HydrophobicContact CG-CD2 4.41Å
34V94.9Very high91.5Very high22 Ų2258.8 Ų58.813%0.13330%0.299CS..Hα-helixtrans-64.9-37.1174.5177.50000111.3V30 S31 S38 L65 D68 A70 I73V30-V34 PolarHBondContact O-N 3.33Å; V30-V34 VanDerWaalsContact O-N 3.14Å; S31-V34 WeakPolarHBondContact O-CB 3.43Å; S31-V34 PolarHBondContact O-N 3.05Å; S31-V34 VanDerWaalsContact O-N 3.11Å; V34-S38 VanDerWaalsContact O-CB 3.29Å; V34-S38 WeakPolarHBondContact O-CB 3.2Å; V34-S38 PolarHBondContact O-N 3.07Å; V34-S38 PolarHBondContact O-OG 2.92Å; V34-L65 HydrophobicContact CG2-CD2 4.12Å; V34-D68 WeakPolarHBondContact CG1-O 3.41Å; V34-D68 WeakPolarHBondContact CG2-O 3.46Å; V34-A70 HydrophobicContact CG2-CB 4.39Å; V34-I73 HydrophobicContact CG1-CD1 3.96Å
35E92.9Very high91.4Very high134 Ų13461.1 Ų61.163%0.62631%0.313SS*.Hα-helixtrans-65.1-46.3171.8-71.1173.7-148.800112S31 A32 L33 M37 S38 S39S31-E35 PolarHBondContact O-N 3.2Å; A32-E35 WeakPolarHBondContact O-CB 3.3Å; A32-E35 PolarHBondContact O-N 3.37Å; L33-E35 VanDerWaalsContact C-N 3.33Å; E35-M37 PolarHBondContact O-N 3.4Å; E35-S38 PolarHBondContact O-N 2.93Å; E35-S39 WeakPolarHBondContact O-CB 3.39Å; E35-S39 PolarHBondContact O-N 2.89Å
36L92.1Very high91.3Very high26 Ų2661.4 Ų61.414%0.13632%0.315CS..Hα-helixtrans-56.7-50174.8176.362.7000110.8L11 Y15 A32 L33 S38 S39 A40L11-L36 HydrophobicContact CD2-CD2 4.13Å; Y15-L36 HydrophobicContact CD2-CD2 4.23Å; Y15-L36 HydrophobicContact CE1-CD2 4.44Å; Y15-L36 HydrophobicContact CE2-CB 4.43Å; Y15-L36 HydrophobicContact CE2-CD2 3.95Å; A32-L36 PolarHBondContact O-N 3.23Å; L33-L36 HydrophobicContact CD1-CD2 4.14Å; L33-L36 PolarHBondContact O-N 3.05Å; L36-S38 VanDerWaalsContact C-N 3.34Å; L36-S38 PolarHBondContact O-N 3.25Å; L36-S39 PolarHBondContact O-N 2.92Å; L36-S39 PolarHBondContact O-OG 3.25Å; L36-A40 PolarHBondContact O-N 3.31Å; L36-A40 VanDerWaalsContact O-N 3.13Å
37M94.2Very high91.3Very high0 Ų059.4 Ų59.40%031%0.305CS..Hα-helixtrans-58.5-43.1175.4-70.6177.874.800111.9L33 E35 S39 A40 I54 A70 I73 L74 W77L33-M37 HydrophobicContact CD1-CG 4.48Å; L33-M37 HydrophobicContact CG-SD 4.35Å; L33-M37 WeakPolarHBondContact O-CB 3.5Å; L33-M37 WeakPolarHBondContact O-CG 3.37Å; L33-M37 PolarHBondContact O-N 3.47Å; E35-M37 PolarHBondContact O-N 3.4Å; M37-S39 VanDerWaalsContact C-N 3.3Å; M37-S39 PolarHBondContact O-N 3.39Å; M37-A40 WeakPolarHBondContact O-CB 3.44Å; M37-A40 PolarHBondContact O-N 3.42Å; M37-I54 HydrophobicContact CE-CD1 3.81Å; M37-I54 HydrophobicContact SD-CD1 3.9Å; M37-A70 HydrophobicContact CE-CB 4.17Å; M37-A70 HydrophobicContact SD-CB 4.08Å; M37-I73 HydrophobicContact CB-CD1 3.82Å; M37-I73 HydrophobicContact CB-CG2 4.05Å; M37-I73 HydrophobicContact CE-CB 4.15Å; M37-I73 HydrophobicContact CE-CG2 4.18Å; M37-L74 HydrophobicContact CE-CD2 4.02Å; M37-L74 HydrophobicContact CE-CG 4.12Å; M37-W77 HydrophobicContact CB-CH2 4.01Å; M37-W77 HydrophobicContact CB-CZ2 3.95Å; M37-W77 HydrophobicContact CE-CH2 3.88Å; M37-W77 HydrophobicContact CE-CZ2 4.44Å; M37-W77 HydrophobicContact CE-CZ3 3.98Å; M37-W77 HydrophobicContact CG-CH2 3.79Å; M37-W77 HydrophobicContact CG-CZ2 4.26Å; M37-W77 WeakPolarHBondContact O-CZ2 3.3Å
38S92.9Very high91.4Very high61 Ų6154.2 Ų54.243%0.42729%0.285SS..Hα-helixtrans-64.9-33.8177.7-62.10000112.5V34 E35 L36 N41 I73V34-S38 VanDerWaalsContact O-CB 3.29Å; V34-S38 WeakPolarHBondContact O-CB 3.2Å; V34-S38 PolarHBondContact O-N 3.07Å; V34-S38 PolarHBondContact O-OG 2.92Å; E35-S38 PolarHBondContact O-N 2.93Å; L36-S38 VanDerWaalsContact C-N 3.34Å; L36-S38 PolarHBondContact O-N 3.25Å; S38-N41 PolarHBondContact O-ND2 2.59Å; S38-I73 WeakPolarHBondContact OG-CD1 3.48Å
39S90.5Very high91.4Very high62 Ų6248.1 Ų48.143%0.43426%0.257SS..Hα-helixtrans-79.5-14.117884.10000114.5E35 L36 M37 N41E35-S39 WeakPolarHBondContact O-CB 3.39Å; E35-S39 PolarHBondContact O-N 2.89Å; L36-S39 PolarHBondContact O-N 2.92Å; L36-S39 PolarHBondContact O-OG 3.25Å; M37-S39 VanDerWaalsContact C-N 3.3Å; M37-S39 PolarHBondContact O-N 3.39Å; S39-N41 PolarHBondContact O-N 3.07Å
40A87.9Confident91.4Very high0 Ų047.7 Ų47.70%025%0.254CS..  trans-76.413.7-172.800000114.9L36 M37 R42 K43 P46 K47 W77L36-A40 PolarHBondContact O-N 3.31Å; L36-A40 VanDerWaalsContact O-N 3.13Å; M37-A40 WeakPolarHBondContact O-CB 3.44Å; M37-A40 PolarHBondContact O-N 3.42Å; A40-R42 PolarHBondContact O-N 2.94Å; A40-R42 VanDerWaalsContact O-N 3.17Å; A40-K43 PolarHBondContact O-N 3.4Å; A40-P46 HydrophobicContact CB-CB 3.86Å; A40-K47 HydrophobicContact CB-CG 4.03Å; A40-W77 HydrophobicContact CB-CZ2 3.98Å
41N78.8Confident91.5Very high73 Ų7347.7 Ų47.739%0.3925%0.254SS..THydrogen-bonded Turntrans-51.4121.5-178-63.9-61.2000111.7S38 S39 K43 K76S38-N41 PolarHBondContact O-ND2 2.59Å; S39-N41 PolarHBondContact O-N 3.07Å; N41-K43 PolarHBondContact O-N 2.91Å; N41-K43 VanDerWaalsContact O-N 3.1Å; N41-K76 PolarHBondContact OD1-NZ 3.37Å
42R79.3Confident91.5Very high223 Ų22347.9 Ų47.984%0.84225%0.254SS*.THydrogen-bonded Turntrans56.78.4-175.2-57.4-174.2-1781761.3117.1A40A40-R42 PolarHBondContact O-N 2.94Å; A40-R42 VanDerWaalsContact O-N 3.17Å
43K87.7Confident91.6Very high91 Ų9146.8 Ų46.840%0.39624%0.244SC..  trans-101.7102.4177.7-60.2172.7-170.81560110.2A40 N41 V45 P46 K47A40-K43 PolarHBondContact O-N 3.4Å; N41-K43 PolarHBondContact O-N 2.91Å; N41-K43 VanDerWaalsContact O-N 3.1Å; K43-V45 PolarHBondContact O-N 3.3Å; K43-P46 HydrophobicContact CB-CG 3.81Å; K43-P46 HydrophobicContact CD-CG 4.2Å; K43-P46 WeakPolarHBondContact O-CD 3.11Å; K43-K47 WeakPolarHBondContact O-CG 3.41Å; K43-K47 PolarHBondContact O-N 2.95Å
44L91.1Very high91.6Very high84 Ų8446.9 Ų46.944%0.4425%0.245SC..Hα-helixtrans-59.6-43-176.3-175.561.3000113.2K47 C48 F89L44-K47 WeakPolarHBondContact O-CB 3.48Å; L44-K47 PolarHBondContact O-N 3.26Å; L44-C48 PolarHBondContact O-N 3.39Å; L44-C48 PolarHBondContact O-SG 3Å; L44-C48 VanDerWaalsContact O-SG 3.35Å; L44-F89 HydrophobicContact CD1-CB 3.96Å; L44-F89 HydrophobicContact CD1-CD2 3.52Å; L44-F89 HydrophobicContact CD1-CE2 4.22Å; L44-F89 HydrophobicContact CD1-CG 3.76Å
45V91.7Very high91.6Very high48 Ų4847.7 Ų47.729%0.29125%0.254SS..Hα-helixtrans-61-53-176170.50000112.9P8 K43 K47 C48 I49P8-V45 HydrophobicContact CB-CG1 3.93Å; K43-V45 PolarHBondContact O-N 3.3Å; V45-K47 VanDerWaalsContact C-N 3.3Å; V45-K47 PolarHBondContact O-N 2.8Å; V45-C48 PolarHBondContact O-N 3.29Å; V45-I49 HydrophobicContact CG1-CD1 3.73Å; V45-I49 WeakPolarHBondContact O-CG1 3.48Å; V45-I49 PolarHBondContact O-N 2.83Å
46P92.6Very high91.7Very high7 Ų744 Ų445%0.04524%0.243CC..Hα-helixtrans-56.6-36.9171.6-26.332.6000114.6L11 A40 K43 S50L11-P46 HydrophobicContact CD1-CB 3.95Å; L11-P46 HydrophobicContact CD1-CG 3.7Å; A40-P46 HydrophobicContact CB-CB 3.86Å; K43-P46 HydrophobicContact CB-CG 3.81Å; K43-P46 HydrophobicContact CD-CG 4.2Å; K43-P46 WeakPolarHBondContact O-CD 3.11Å; P46-S50 WeakPolarHBondContact O-CB 3.31Å; P46-S50 PolarHBondContact O-N 3.04Å; P46-S50 PolarHBondContact O-OG 3.03Å
47K94.5Very high91.9Very high7 Ų743.2 Ų43.23%0.0324%0.24CC..Hα-helixtrans-62.1-52.8175.6-68.4-177.5172.7-172.90111.2A40 K43 L44 V45 I49 S50 L51 W77 E80 F89A40-K47 HydrophobicContact CB-CG 4.03Å; K43-K47 WeakPolarHBondContact O-CG 3.41Å; K43-K47 PolarHBondContact O-N 2.95Å; L44-K47 WeakPolarHBondContact O-CB 3.48Å; L44-K47 PolarHBondContact O-N 3.26Å; V45-K47 VanDerWaalsContact C-N 3.3Å; V45-K47 PolarHBondContact O-N 2.8Å; K47-I49 VanDerWaalsContact C-N 3.35Å; K47-I49 PolarHBondContact O-N 3.47Å; K47-S50 WeakPolarHBondContact O-CB 3.49Å; K47-S50 PolarHBondContact O-N 3.5Å; K47-L51 WeakPolarHBondContact O-CG 3.38Å; K47-L51 PolarHBondContact O-N 3.41Å; K47-W77 HydrophobicContact CB-CE3 4.28Å; K47-W77 HydrophobicContact CB-CH2 4.05Å; K47-W77 HydrophobicContact CB-CZ2 4.3Å; K47-W77 HydrophobicContact CB-CZ3 4.04Å; K47-W77 HydrophobicContact CD-CD2 4.12Å; K47-W77 HydrophobicContact CD-CG 4.29Å; K47-W77 HydrophobicContact CG-CD2 4.05Å; K47-W77 HydrophobicContact CG-CE3 4.31Å; K47-W77 HydrophobicContact CG-CH2 4.02Å; K47-W77 HydrophobicContact CG-CZ2 3.75Å; K47-W77 HydrophobicContact CG-CZ3 4.29Å; K47-E80 IonicContact NZ-OE2 2.89Å; K47-E80 PolarHBondContact NZ-OE2 3.18Å; K47-F89 HydrophobicContact CB-CE2 3.7Å; K47-F89 HydrophobicContact CB-CZ 3.84Å; K47-F89 HydrophobicContact CD-CE1 4.08Å; K47-F89 HydrophobicContact CD-CE2 4.18Å; K47-F89 HydrophobicContact CD-CZ 3.66Å; K47-F89 HydrophobicContact CG-CZ 4.33Å
48C94Very high91.9Very high43 Ų4345.4 Ų45.429%0.29126%0.255SS..Hα-helixtrans-60-43.6179.8-64.30000111.8L44 V45 S50 L51 C52L44-C48 PolarHBondContact O-N 3.39Å; L44-C48 PolarHBondContact O-SG 3Å; L44-C48 VanDerWaalsContact O-SG 3.35Å; V45-C48 PolarHBondContact O-N 3.29Å; C48-S50 VanDerWaalsContact C-N 3.34Å; C48-S50 PolarHBondContact O-N 3.22Å; C48-L51 WeakPolarHBondContact O-CB 3.42Å; C48-L51 PolarHBondContact O-N 3.42Å; C48-C52 PolarHBondContact O-N 2.93Å; C48-C52 PolarHBondContact O-SG 3.45Å
49I93.7Very high91.9Very high15 Ų1545.7 Ų45.78%0.07726%0.255CS..Hα-helixtrans-62-42.8176.8-67165.6000111P8 L11 L12 V45 K47 L51 C52 I53P8-I49 HydrophobicContact CB-CD1 3.86Å; L11-I49 HydrophobicContact CB-CD1 4.02Å; L11-I49 HydrophobicContact CD1-CD1 4.26Å; L11-I49 HydrophobicContact CD2-CB 4.46Å; L11-I49 HydrophobicContact CD2-CD1 4.04Å; L11-I49 HydrophobicContact CD2-CG2 3.92Å; L11-I49 HydrophobicContact CG-CD1 4.33Å; L12-I49 HydrophobicContact CD2-CG2 3.64Å; L12-I49 HydrophobicContact CG-CG2 4.18Å; V45-I49 HydrophobicContact CG1-CD1 3.73Å; V45-I49 WeakPolarHBondContact O-CG1 3.48Å; V45-I49 PolarHBondContact O-N 2.83Å; K47-I49 VanDerWaalsContact C-N 3.35Å; K47-I49 PolarHBondContact O-N 3.47Å; I49-L51 VanDerWaalsContact C-N 3.32Å; I49-L51 PolarHBondContact O-N 3.16Å; I49-C52 PolarHBondContact O-N 2.98Å; I49-I53 HydrophobicContact CG2-CD1 3.72Å; I49-I53 HydrophobicContact CG2-CG1 4.33Å; I49-I53 VanDerWaalsContact O-CG1 3.3Å; I49-I53 WeakPolarHBondContact O-CG1 3.3Å; I49-I53 PolarHBondContact O-N 2.86Å
50S94.7Very high92Very high0 Ų049 Ų490%026%0.264CS..Hα-helixtrans-60.2-41.6175.2-54.50000111.9P46 K47 C48 I53 I54P46-S50 WeakPolarHBondContact O-CB 3.31Å; P46-S50 PolarHBondContact O-N 3.04Å; P46-S50 PolarHBondContact O-OG 3.03Å; K47-S50 WeakPolarHBondContact O-CB 3.49Å; K47-S50 PolarHBondContact O-N 3.5Å; C48-S50 VanDerWaalsContact C-N 3.34Å; C48-S50 PolarHBondContact O-N 3.22Å; S50-I53 PolarHBondContact O-N 3.5Å; S50-I54 WeakPolarHBondContact O-CD1 3.37Å; S50-I54 WeakPolarHBondContact O-CG1 3.35Å; S50-I54 PolarHBondContact O-N 2.94Å
51L95.6Very high92.3Very high4 Ų450.1 Ų50.12%0.02127%0.27CS..Hα-helixtrans-62.6-42175.1-68.2-179.3000112.2K47 C48 I49 I54 A55 L74 W77 F89 E92 L93 V96K47-L51 WeakPolarHBondContact O-CG 3.38Å; K47-L51 PolarHBondContact O-N 3.41Å; C48-L51 WeakPolarHBondContact O-CB 3.42Å; C48-L51 PolarHBondContact O-N 3.42Å; I49-L51 VanDerWaalsContact C-N 3.32Å; I49-L51 PolarHBondContact O-N 3.16Å; L51-I54 PolarHBondContact O-N 3.24Å; L51-A55 WeakPolarHBondContact O-CB 3.42Å; L51-A55 PolarHBondContact O-N 3.35Å; L51-L74 HydrophobicContact CD2-CD2 3.54Å; L51-W77 HydrophobicContact CD2-CE3 4.23Å; L51-W77 HydrophobicContact CD2-CZ3 4.04Å; L51-W77 HydrophobicContact CG-CE3 4.47Å; L51-W77 HydrophobicContact CG-CZ3 4.12Å; L51-F89 HydrophobicContact CD1-CD2 4.34Å; L51-F89 HydrophobicContact CD1-CE2 3.56Å; L51-F89 HydrophobicContact CD1-CZ 4.03Å; L51-E92 HydrophobicContact CD1-CB 4.33Å; L51-L93 HydrophobicContact CD1-CB 4.19Å; L51-L93 HydrophobicContact CD1-CD1 4.28Å; L51-L93 HydrophobicContact CD2-CD1 3.72Å; L51-V96 HydrophobicContact CB-CG2 3.9Å; L51-V96 HydrophobicContact CD2-CB 4.23Å; L51-V96 HydrophobicContact CD2-CG1 4.33Å; L51-V96 HydrophobicContact CD2-CG2 3.96Å; L51-V96 HydrophobicContact CG-CG2 4.42Å
52C94.5Very high93.1Very high80 Ų8047.3 Ų47.354%0.54125%0.254SS..Hα-helixtrans-62.1-45.1174.5-63.80000112C48 I49 I54 A55 S56C48-C52 PolarHBondContact O-N 2.93Å; C48-C52 PolarHBondContact O-SG 3.45Å; I49-C52 PolarHBondContact O-N 2.98Å; C52-I54 VanDerWaalsContact C-N 3.35Å; C52-I54 PolarHBondContact O-N 3.04Å; C52-A55 PolarHBondContact O-N 3.15Å; C52-S56 PolarHBondContact O-N 3.4Å; C52-S56 PolarHBondContact O-OG 2.86Å
53I95.1Very high93.7Very high3 Ų338.5 Ų38.52%0.01522%0.223CC..Hα-helixtrans-61.7-43177.6-64.9162.8000110.7Y15 L19 I25 L33 I49 S50 S56 S57Y15-I53 HydrophobicContact CD1-CD1 4.3Å; L19-I53 HydrophobicContact CD2-CB 4.43Å; L19-I53 HydrophobicContact CD2-CD1 3.94Å; L19-I53 HydrophobicContact CD2-CG1 3.83Å; L19-I53 HydrophobicContact CD2-CG2 3.7Å; I25-I53 HydrophobicContact CB-CG2 3.85Å; I25-I53 HydrophobicContact CD1-CG2 4.38Å; L33-I53 HydrophobicContact CD1-CD1 4.22Å; L33-I53 HydrophobicContact CD1-CG2 4.34Å; L33-I53 HydrophobicContact CD2-CB 4.43Å; L33-I53 HydrophobicContact CD2-CG2 3.73Å; I49-I53 HydrophobicContact CG2-CD1 3.72Å; I49-I53 HydrophobicContact CG2-CG1 4.33Å; I49-I53 VanDerWaalsContact O-CG1 3.3Å; I49-I53 WeakPolarHBondContact O-CG1 3.3Å; I49-I53 PolarHBondContact O-N 2.86Å; S50-I53 PolarHBondContact O-N 3.5Å; I53-S56 PolarHBondContact O-N 3.42Å; I53-S57 PolarHBondContact O-N 3.03Å; I53-S57 VanDerWaalsContact O-N 3.12Å; I53-S57 PolarHBondContact O-OG 2.82Å
54I95.7Very high94Very high2 Ų237.1 Ų37.11%0.0122%0.218CC..Hα-helixtrans-60.8-46.6175.1-65.5162000110.5L33 M37 S50 L51 C52 S56 S57 Q62 L65 L74 V96 L100L33-I54 HydrophobicContact CD2-CG1 4.23Å; M37-I54 HydrophobicContact CE-CD1 3.81Å; M37-I54 HydrophobicContact SD-CD1 3.9Å; S50-I54 WeakPolarHBondContact O-CD1 3.37Å; S50-I54 WeakPolarHBondContact O-CG1 3.35Å; S50-I54 PolarHBondContact O-N 2.94Å; L51-I54 PolarHBondContact O-N 3.24Å; C52-I54 VanDerWaalsContact C-N 3.35Å; C52-I54 PolarHBondContact O-N 3.04Å; I54-S56 VanDerWaalsContact C-N 3.32Å; I54-S56 PolarHBondContact O-N 2.91Å; I54-S57 WeakPolarHBondContact O-CB 3.18Å; I54-S57 PolarHBondContact O-N 3.37Å; I54-Q62 HydrophobicContact CG2-CG 4.44Å; I54-Q62 WeakPolarHBondContact O-CG 3.18Å; I54-Q62 PolarHBondContact O-NE2 3.01Å; I54-L65 HydrophobicContact CG1-CD1 4.28Å; I54-L74 HydrophobicContact CD1-CD2 4.35Å; I54-V96 HydrophobicContact CB-CG1 4.34Å; I54-V96 HydrophobicContact CG2-CG1 3.68Å; I54-L100 HydrophobicContact CG2-CD2 3.87Å
55A94.9Very high94.1Very high38 Ų3833.2 Ų33.231%0.31420%0.198SC..Hα-helixtrans-60.7-38.4179.800000113L51 C52 V96 L99L51-A55 WeakPolarHBondContact O-CB 3.42Å; L51-A55 PolarHBondContact O-N 3.35Å; C52-A55 PolarHBondContact O-N 3.15Å; A55-V96 HydrophobicContact CB-CG2 4.41Å; A55-L99 HydrophobicContact CB-CD1 3.72Å
56S95.1Very high94.1Very high58 Ų5831.2 Ų31.241%0.40619%0.186SC..THydrogen-bonded Turntrans-84.2-2.4178.3-660000115.1S22 G24 C52 I53 I54S22-S56 WeakPolarHBondContact O-CB 3.05Å; S22-S56 PolarHBondContact OG-O 3.05Å; G24-S56 WeakPolarHBondContact CA-O 3.39Å; C52-S56 PolarHBondContact O-N 3.4Å; C52-S56 PolarHBondContact O-OG 2.86Å; I53-S56 PolarHBondContact O-N 3.42Å; I54-S56 VanDerWaalsContact C-N 3.32Å; I54-S56 PolarHBondContact O-N 2.91Å
57S95.3Very high94Very high9 Ų935.7 Ų35.76%0.06321%0.205CC..SBendtrans-82.1153.3177.6-630000112.3G24 I25 I53 I54 Q62G24-S57 WeakPolarHBondContact CA-OG 3.47Å; I25-S57 PolarHBondContact N-OG 2.72Å; I53-S57 PolarHBondContact O-N 3.03Å; I53-S57 VanDerWaalsContact O-N 3.12Å; I53-S57 PolarHBondContact O-OG 2.82Å; I54-S57 WeakPolarHBondContact O-CB 3.18Å; I54-S57 PolarHBondContact O-N 3.37Å; S57-Q62 PolarHBondContact O-NE2 3.05Å; S57-Q62 VanDerWaalsContact O-NE2 3.15Å
58S94.1Very high93.8Very high45 Ų4538.4 Ų38.432%0.31522%0.219SC..  trans-64.1153.5176.297.80000111.6E60 I61 Q62S58-E60 VanDerWaalsContact CB-OE2 3.27Å; S58-E60 WeakPolarHBondContact CB-OE2 3.44Å; S58-E60 PolarHBondContact O-N 3.17Å; S58-E60 PolarHBondContact OG-N 2.9Å; S58-E60 PolarHBondContact OG-OE2 3.44Å; S58-I61 PolarHBondContact O-N 3.47Å; S58-I61 PolarHBondContact OG-N 2.93Å; S58-Q62 WeakPolarHBondContact O-CG 3.47Å; S58-Q62 PolarHBondContact O-N 3.1Å
59P92.9Very high93.7Very high67 Ų6737.7 Ų37.744%0.43522%0.22SC..Hα-helixtrans-62.9-28.6-178.524.2-32.4000113.1L63 P101P59-L63 WeakPolarHBondContact O-CB 3.49Å; P59-L63 PolarHBondContact O-N 2.83Å; P59-P101 HydrophobicContact CB-CG 4.06Å; P59-P101 VanDerWaalsContact O-CG 3.29Å; P59-P101 WeakPolarHBondContact O-CG 3.42Å
60E93Very high93.7Very high132 Ų13237.1 Ų37.162%0.61722%0.217SC*.Hα-helixtrans-64.2-43.7173.4-57.470-15100111S58 L63 Q64S58-E60 VanDerWaalsContact CB-OE2 3.27Å; S58-E60 WeakPolarHBondContact CB-OE2 3.44Å; S58-E60 PolarHBondContact O-N 3.17Å; S58-E60 PolarHBondContact OG-N 2.9Å; S58-E60 PolarHBondContact OG-OE2 3.44Å; E60-L63 PolarHBondContact O-N 3.33Å; E60-Q64 PolarHBondContact O-N 3.36Å
61I94.4Very high93.7Very high24 Ų2437.2 Ų37.212%0.12322%0.217CC..Hα-helixtrans-73.7-39179.8-62.4177.2000110.6I25 Q27 V30 S58 L63 Q64 L65I25-I61 HydrophobicContact CG2-CG2 3.36Å; I25-I61 WeakPolarHBondContact O-CD1 3.4Å; Q27-I61 HydrophobicContact CB-CD1 4.38Å; V30-I61 HydrophobicContact CG2-CG2 3.98Å; S58-I61 PolarHBondContact O-N 3.47Å; S58-I61 PolarHBondContact OG-N 2.93Å; I61-L63 VanDerWaalsContact C-N 3.33Å; I61-L63 PolarHBondContact O-N 3.41Å; I61-Q64 WeakPolarHBondContact O-CB 3.5Å; I61-Q64 PolarHBondContact O-N 2.96Å; I61-Q64 VanDerWaalsContact O-N 3.1Å; I61-L65 HydrophobicContact CG2-CD1 4.29Å; I61-L65 WeakPolarHBondContact O-CG 3.43Å; I61-L65 PolarHBondContact O-N 3.46Å
62Q94.9Very high93.6Very high13 Ų1341.2 Ų41.26%0.06124%0.236CC..Hα-helixtrans-59-41.6170-72.8178.1-1.900112I54 S57 S58 Q64 C66 L100 P101I54-Q62 HydrophobicContact CG2-CG 4.44Å; I54-Q62 WeakPolarHBondContact O-CG 3.18Å; I54-Q62 PolarHBondContact O-NE2 3.01Å; S57-Q62 PolarHBondContact O-NE2 3.05Å; S57-Q62 VanDerWaalsContact O-NE2 3.15Å; S58-Q62 WeakPolarHBondContact O-CG 3.47Å; S58-Q62 PolarHBondContact O-N 3.1Å; Q62-Q64 VanDerWaalsContact C-N 3.29Å; Q62-Q64 PolarHBondContact O-N 3.41Å; Q62-C66 PolarHBondContact O-N 3.1Å; Q62-C66 VanDerWaalsContact O-N 3.11Å; Q62-C66 PolarHBondContact O-SG 2.98Å; Q62-C66 VanDerWaalsContact O-SG 3.4Å; Q62-L100 HydrophobicContact CB-CD2 3.78Å; Q62-L100 HydrophobicContact CG-CD2 4.04Å; Q62-P101 HydrophobicContact CB-CG 4.22Å; Q62-P101 VanDerWaalsContact OE1-CD 3.22Å
63L92.5Very high93.7Very high38 Ų3838.4 Ų38.420%0.19922%0.215CC..Hα-helixtrans-67.5-30.5174.8179.558.7000112.2P59 E60 I61 K67 P101 R103P59-L63 WeakPolarHBondContact O-CB 3.49Å; P59-L63 PolarHBondContact O-N 2.83Å; E60-L63 PolarHBondContact O-N 3.33Å; I61-L63 VanDerWaalsContact C-N 3.33Å; I61-L63 PolarHBondContact O-N 3.41Å; L63-K67 WeakPolarHBondContact O-CG 3.42Å; L63-P101 HydrophobicContact CB-CG 4.17Å; L63-R103 HydrophobicContact CD1-CG 4.25Å
64Q93.1Very high93.7Very high62 Ų6238.3 Ų38.329%0.2922%0.215SC..Hα-helixtrans-72.9-46.5175.8-170.35627.100111.7E60 I61 Q62 C66 K67 D68E60-Q64 PolarHBondContact O-N 3.36Å; I61-Q64 WeakPolarHBondContact O-CB 3.5Å; I61-Q64 PolarHBondContact O-N 2.96Å; I61-Q64 VanDerWaalsContact O-N 3.1Å; Q62-Q64 VanDerWaalsContact C-N 3.29Å; Q62-Q64 PolarHBondContact O-N 3.41Å; Q64-C66 VanDerWaalsContact C-N 3.25Å; Q64-C66 PolarHBondContact O-N 3.18Å; Q64-K67 WeakPolarHBondContact O-CA 3.44Å; Q64-K67 WeakPolarHBondContact O-CB 3.5Å; Q64-K67 PolarHBondContact O-N 2.88Å; Q64-D68 WeakPolarHBondContact CG-OD2 3.48Å; Q64-D68 PolarHBondContact NE2-OD1 3.17Å; Q64-D68 PolarHBondContact NE2-OD2 3.13Å; Q64-D68 PolarHBondContact O-N 2.84Å
65L94Very high93.6Very high2 Ų238.9 Ų38.91%0.0122%0.218CC..Hα-helixtrans-51.9-42.4170.9-78.2158.9000112.4I25 V30 L33 V34 I54 I61 K67 D68 A70I25-L65 HydrophobicContact CG2-CD1 4.07Å; V30-L65 HydrophobicContact CG1-CD2 3.83Å; V30-L65 HydrophobicContact CG1-CG 4.09Å; L33-L65 HydrophobicContact CB-CD2 4.49Å; L33-L65 HydrophobicContact CD2-CD1 4.25Å; L33-L65 HydrophobicContact CD2-CD2 3.96Å; L33-L65 HydrophobicContact CG-CD2 4.41Å; V34-L65 HydrophobicContact CG2-CD2 4.12Å; I54-L65 HydrophobicContact CG1-CD1 4.28Å; I61-L65 HydrophobicContact CG2-CD1 4.29Å; I61-L65 WeakPolarHBondContact O-CG 3.43Å; I61-L65 PolarHBondContact O-N 3.46Å; L65-K67 PolarHBondContact O-N 3.17Å; L65-D68 PolarHBondContact O-N 3.24Å; L65-A70 HydrophobicContact CB-CB 4.06Å; L65-A70 HydrophobicContact CD2-CB 4.3Å; L65-A70 WeakPolarHBondContact O-CB 3.46Å; L65-A70 PolarHBondContact O-N 2.79Å; L65-A70 VanDerWaalsContact O-N 3.07Å
66C92.6Very high93.6Very high6 Ų641.2 Ų41.24%0.04122%0.221CC..THydrogen-bonded Turntrans-66.2-16176.3-760000114.9Q62 Q64 Q106Q62-C66 PolarHBondContact O-N 3.1Å; Q62-C66 VanDerWaalsContact O-N 3.11Å; Q62-C66 PolarHBondContact O-SG 2.98Å; Q62-C66 VanDerWaalsContact O-SG 3.4Å; Q64-C66 VanDerWaalsContact C-N 3.25Å; Q64-C66 PolarHBondContact O-N 3.18Å; C66-Q106 HydrophobicContact CB-CG 4.23Å
67K90.4Very high93.6Very high102 Ų10238.5 Ų38.544%0.44320%0.202SC..THydrogen-bonded Turntrans-92.7-40.2170.5-60.4169.7-155.4155.30111.1L63 Q64 L65 G69L63-K67 WeakPolarHBondContact O-CG 3.42Å; Q64-K67 WeakPolarHBondContact O-CA 3.44Å; Q64-K67 WeakPolarHBondContact O-CB 3.5Å; Q64-K67 PolarHBondContact O-N 2.88Å; L65-K67 PolarHBondContact O-N 3.17Å; K67-G69 PolarHBondContact O-N 3.27Å
68D90.3Very high93.6Very high63 Ų6338 Ų3834%0.33720%0.199SC..THydrogen-bonded Turntrans-81.532.3-173.1-59.1-13000112.2V30 V34 Q64 L65 A70V30-D68 HydrophobicContact CG1-CB 4.22Å; V34-D68 WeakPolarHBondContact CG1-O 3.41Å; V34-D68 WeakPolarHBondContact CG2-O 3.46Å; Q64-D68 WeakPolarHBondContact CG-OD2 3.48Å; Q64-D68 PolarHBondContact NE2-OD1 3.17Å; Q64-D68 PolarHBondContact NE2-OD2 3.13Å; Q64-D68 PolarHBondContact O-N 2.84Å; L65-D68 PolarHBondContact O-N 3.24Å; D68-A70 PolarHBondContact O-N 3.06Å
69G91Very high93.7Very high29 Ų2940.4 Ų40.430%0.29921%0.205SC..THydrogen-bonded Turntrans89.5-12.1171.500000116.9K67 W71 E72K67-G69 PolarHBondContact O-N 3.27Å; G69-W71 PolarHBondContact O-N 3.44Å; G69-W71 VanDerWaalsContact O-N 3.17Å; G69-E72 PolarHBondContact O-N 2.87Å; G69-E72 VanDerWaalsContact O-N 3.12Å
70A94.1Very high93.7Very high2 Ų239.1 Ų39.12%0.01719%0.193CC..Hα-helixtrans-61.6-29.6-178.700000112.8V34 M37 L65 D68 E72 I73 L74V34-A70 HydrophobicContact CG2-CB 4.39Å; M37-A70 HydrophobicContact CE-CB 4.17Å; M37-A70 HydrophobicContact SD-CB 4.08Å; L65-A70 HydrophobicContact CB-CB 4.06Å; L65-A70 HydrophobicContact CD2-CB 4.3Å; L65-A70 WeakPolarHBondContact O-CB 3.46Å; L65-A70 PolarHBondContact O-N 2.79Å; L65-A70 VanDerWaalsContact O-N 3.07Å; D68-A70 PolarHBondContact O-N 3.06Å; A70-E72 VanDerWaalsContact C-N 3.31Å; A70-E72 PolarHBondContact O-N 3.33Å; A70-I73 PolarHBondContact O-N 2.94Å; A70-L74 VanDerWaalsContact O-CG 3.31Å; A70-L74 WeakPolarHBondContact O-CG 3.41Å; A70-L74 PolarHBondContact O-N 3.14Å
71W94.2Very high93.8Very high2 Ų232.9 Ų32.91%0.00816%0.164CC..Hα-helixtrans-58-39.3176-174.1-121.1000113G69 L75 Y97 L100 V102 Q106 N110 C112 W139G69-W71 PolarHBondContact O-N 3.44Å; G69-W71 VanDerWaalsContact O-N 3.17Å; W71-L75 PolarHBondContact O-N 3.11Å; W71-L75 VanDerWaalsContact O-N 3.1Å; W71-Y97 HydrophobicContact CE3-CE1 4.09Å; W71-Y97 HydrophobicContact CH2-CD1 4.27Å; W71-Y97 AromaticContact CH2-CE1 3.94Å; W71-Y97 HydrophobicContact CH2-CE1 3.94Å; W71-Y97 AromaticContact CZ3-CD1 3.82Å; W71-Y97 HydrophobicContact CZ3-CD1 3.82Å; W71-Y97 AromaticContact CZ3-CE1 3.49Å; W71-Y97 HydrophobicContact CZ3-CE1 3.49Å; W71-Y97 VanDerWaalsContact CZ3-CE1 3.49Å; W71-L100 HydrophobicContact CZ3-CD1 4.5Å; W71-V102 HydrophobicContact CH2-CG1 3.82Å; W71-V102 HydrophobicContact CH2-CG2 4.23Å; W71-V102 HydrophobicContact CZ2-CG1 4.33Å; W71-V102 HydrophobicContact CZ3-CG1 4.27Å; W71-V102 HydrophobicContact CZ3-CG2 4.07Å; W71-Q106 HydrophobicContact CD2-CB 4.36Å; W71-Q106 HydrophobicContact CZ2-CB 4.04Å; W71-Q106 VanDerWaalsContact CZ2-O 3.29Å; W71-Q106 WeakPolarHBondContact CZ2-O 3.45Å; W71-Q106 PolarHBondContact NE1-O 2.88Å; W71-N110 VanDerWaalsContact CD1-ND2 3.3Å; W71-C112 HydrophobicContact CZ2-CB 4.14Å; W71-W139 AromaticContact CH2-CH2 3.97Å; W71-W139 HydrophobicContact CH2-CH2 3.97Å; W71-W139 HydrophobicContact CH2-CZ2 4.04Å
72E94.1Very high93.7Very high89 Ų8934.3 Ų34.342%0.41617%0.172SC..Hα-helixtrans-68.2-40.7175.9-54.9-51.1142.200111.7G69 A70 L75 K76 N110G69-E72 PolarHBondContact O-N 2.87Å; G69-E72 VanDerWaalsContact O-N 3.12Å; A70-E72 VanDerWaalsContact C-N 3.31Å; A70-E72 PolarHBondContact O-N 3.33Å; E72-L75 WeakPolarHBondContact O-CB 3.42Å; E72-L75 PolarHBondContact O-N 2.88Å; E72-K76 PolarHBondContact O-N 3.45Å; E72-N110 PolarHBondContact OE1-ND2 3.04Å; E72-N110 PolarHBondContact OE2-ND2 3.45Å; E72-N110 PolarHBondContact OE2-OD1 3.29Å
73I95Very high93.7Very high20 Ų2042.3 Ų42.310%0.10321%0.206CC..Hα-helixtrans-69.8-39-178.5-52.4169.2000110.4V34 M37 S38 A70 K76 W77V34-I73 HydrophobicContact CG1-CD1 3.96Å; M37-I73 HydrophobicContact CB-CD1 3.82Å; M37-I73 HydrophobicContact CB-CG2 4.05Å; M37-I73 HydrophobicContact CE-CB 4.15Å; M37-I73 HydrophobicContact CE-CG2 4.18Å; S38-I73 WeakPolarHBondContact OG-CD1 3.48Å; A70-I73 PolarHBondContact O-N 2.94Å; I73-K76 WeakPolarHBondContact O-CB 3.27Å; I73-K76 PolarHBondContact O-N 3.39Å; I73-W77 HydrophobicContact CG2-CD2 4.21Å; I73-W77 HydrophobicContact CG2-CZ2 3.76Å; I73-W77 VanDerWaalsContact O-CG 3.28Å; I73-W77 PolarHBondContact O-N 3.11Å
74L95.3Very high93.7Very high2 Ų245.8 Ų45.81%0.0122%0.222CC..Hα-helixtrans-62.5-41.2172.4-66.7171.1000111.5M37 L51 I54 A70 W77 L78 L93 Y97 L100M37-L74 HydrophobicContact CE-CD2 4.02Å; M37-L74 HydrophobicContact CE-CG 4.12Å; L51-L74 HydrophobicContact CD2-CD2 3.54Å; I54-L74 HydrophobicContact CD1-CD2 4.35Å; A70-L74 VanDerWaalsContact O-CG 3.31Å; A70-L74 WeakPolarHBondContact O-CG 3.41Å; A70-L74 PolarHBondContact O-N 3.14Å; L74-W77 HydrophobicContact CD2-CE3 4.25Å; L74-W77 HydrophobicContact CD2-CZ3 4.48Å; L74-W77 PolarHBondContact O-N 2.73Å; L74-L78 WeakPolarHBondContact O-CB 3.43Å; L74-L78 PolarHBondContact O-N 2.98Å; L74-L93 HydrophobicContact CB-CD1 4.45Å; L74-L93 HydrophobicContact CD2-CD1 3.62Å; L74-Y97 HydrophobicContact CB-CE1 4.37Å; L74-Y97 WeakPolarHBondContact CB-OH 3.21Å; L74-Y97 PolarHBondContact O-OH 3.33Å; L74-L100 HydrophobicContact CD1-CD1 3.91Å
75L94.6Very high93.6Very high13 Ų1347.7 Ų47.77%0.06823%0.234CC..Hα-helixtrans-62.1-44.2173.717061.9000111.8W71 E72 W77 L78 Q79 Y97 N110 V111 C112 L115W71-L75 PolarHBondContact O-N 3.11Å; W71-L75 VanDerWaalsContact O-N 3.1Å; E72-L75 WeakPolarHBondContact O-CB 3.42Å; E72-L75 PolarHBondContact O-N 2.88Å; L75-W77 VanDerWaalsContact C-N 3.34Å; L75-W77 PolarHBondContact O-N 3.34Å; L75-L78 WeakPolarHBondContact O-CB 3.34Å; L75-L78 PolarHBondContact O-N 3.45Å; L75-Q79 HydrophobicContact CD1-CG 4.38Å; L75-Q79 WeakPolarHBondContact O-CG 3.38Å; L75-Q79 PolarHBondContact O-N 3.2Å; L75-Y97 PolarHBondContact N-OH 3.4Å; L75-N110 HydrophobicContact CD2-CB 4Å; L75-V111 HydrophobicContact CD1-CG2 4.13Å; L75-V111 HydrophobicContact CD2-CG2 4.27Å; L75-C112 HydrophobicContact CD1-CB 4.11Å; L75-L115 HydrophobicContact CD1-CD1 3.63Å
76K94.6Very high93.6Very high88 Ų8849.7 Ų49.738%0.38324%0.244SC..Hα-helixtrans-59.4-45.4174.5-175.9-171.8-178.7-173.60111.1N41 E72 I73 L78 Q79 E80N41-K76 PolarHBondContact OD1-NZ 3.37Å; E72-K76 PolarHBondContact O-N 3.45Å; I73-K76 WeakPolarHBondContact O-CB 3.27Å; I73-K76 PolarHBondContact O-N 3.39Å; K76-L78 VanDerWaalsContact C-N 3.32Å; K76-L78 PolarHBondContact O-N 3.35Å; K76-Q79 PolarHBondContact O-N 2.94Å; K76-E80 VanDerWaalsContact CE-OE1 3.23Å; K76-E80 WeakPolarHBondContact CE-OE1 3.47Å; K76-E80 WeakPolarHBondContact O-CG 3.45Å; K76-E80 PolarHBondContact O-N 3.18Å
77W96Very high93.7Very high0 Ų052.7 Ų52.70%026%0.255CS..Hα-helixtrans-66.4-31.7177.5-68.2-1.4000112.9M37 A40 K47 L51 I73 L74 L75 E80 A81 F89 L93M37-W77 HydrophobicContact CB-CH2 4.01Å; M37-W77 HydrophobicContact CB-CZ2 3.95Å; M37-W77 HydrophobicContact CE-CH2 3.88Å; M37-W77 HydrophobicContact CE-CZ2 4.44Å; M37-W77 HydrophobicContact CE-CZ3 3.98Å; M37-W77 HydrophobicContact CG-CH2 3.79Å; M37-W77 HydrophobicContact CG-CZ2 4.26Å; M37-W77 WeakPolarHBondContact O-CZ2 3.3Å; A40-W77 HydrophobicContact CB-CZ2 3.98Å; K47-W77 HydrophobicContact CB-CE3 4.28Å; K47-W77 HydrophobicContact CB-CH2 4.05Å; K47-W77 HydrophobicContact CB-CZ2 4.3Å; K47-W77 HydrophobicContact CB-CZ3 4.04Å; K47-W77 HydrophobicContact CD-CD2 4.12Å; K47-W77 HydrophobicContact CD-CG 4.29Å; K47-W77 HydrophobicContact CG-CD2 4.05Å; K47-W77 HydrophobicContact CG-CE3 4.31Å; K47-W77 HydrophobicContact CG-CH2 4.02Å; K47-W77 HydrophobicContact CG-CZ2 3.75Å; K47-W77 HydrophobicContact CG-CZ3 4.29Å; L51-W77 HydrophobicContact CD2-CE3 4.23Å; L51-W77 HydrophobicContact CD2-CZ3 4.04Å; L51-W77 HydrophobicContact CG-CE3 4.47Å; L51-W77 HydrophobicContact CG-CZ3 4.12Å; I73-W77 HydrophobicContact CG2-CD2 4.21Å; I73-W77 HydrophobicContact CG2-CZ2 3.76Å; I73-W77 VanDerWaalsContact O-CG 3.28Å; I73-W77 PolarHBondContact O-N 3.11Å; L74-W77 HydrophobicContact CD2-CE3 4.25Å; L74-W77 HydrophobicContact CD2-CZ3 4.48Å; L74-W77 PolarHBondContact O-N 2.73Å; L75-W77 VanDerWaalsContact C-N 3.34Å; L75-W77 PolarHBondContact O-N 3.34Å; W77-E80 PolarHBondContact O-N 3.43Å; W77-A81 VanDerWaalsContact O-CB 3.25Å; W77-A81 WeakPolarHBondContact O-CB 3.5Å; W77-A81 PolarHBondContact O-N 2.97Å; W77-F89 HydrophobicContact CB-CE1 4.12Å; W77-F89 HydrophobicContact CB-CZ 4.26Å; W77-F89 HydrophobicContact CD2-CZ 4.37Å; W77-F89 HydrophobicContact CE3-CZ 4.03Å; W77-F89 HydrophobicContact CG-CZ 4.49Å; W77-L93 HydrophobicContact CB-CD2 4.17Å
78L95.3Very high93.8Very high0 Ų051.2 Ų51.20%026%0.262CS..Hα-helixtrans-65.2-43.5172.8-17963.9000110.9L74 L75 K76 L82 L90 L93 Y97 L115 I116L74-L78 WeakPolarHBondContact O-CB 3.43Å; L74-L78 PolarHBondContact O-N 2.98Å; L75-L78 WeakPolarHBondContact O-CB 3.34Å; L75-L78 PolarHBondContact O-N 3.45Å; K76-L78 VanDerWaalsContact C-N 3.32Å; K76-L78 PolarHBondContact O-N 3.35Å; L78-L82 HydrophobicContact CD1-CD1 4.19Å; L78-L82 HydrophobicContact CG-CD1 4.21Å; L78-L82 WeakPolarHBondContact O-CB 3.47Å; L78-L82 VanDerWaalsContact O-CG 3.23Å; L78-L82 WeakPolarHBondContact O-CG 3.45Å; L78-L82 PolarHBondContact O-N 3.4Å; L78-L82 VanDerWaalsContact O-N 3.12Å; L78-L90 HydrophobicContact CD1-CD1 3.48Å; L78-L90 VanDerWaalsContact CD1-CD1 3.48Å; L78-L93 VanDerWaalsContact CA-CD2 3.46Å; L78-L93 HydrophobicContact CB-CD2 3.8Å; L78-L93 HydrophobicContact CD1-CD2 4.16Å; L78-Y97 HydrophobicContact CB-CE2 4.46Å; L78-Y97 HydrophobicContact CD2-CE2 4.22Å; L78-L115 HydrophobicContact CD2-CB 4.08Å; L78-L115 HydrophobicContact CD2-CD1 4.23Å; L78-I116 HydrophobicContact CD2-CD1 4.36Å; L78-I116 HydrophobicContact CD2-CG1 3.88Å
79Q94.8Very high94.1Very high94 Ų9448.6 Ų48.644%0.43925%0.247SC..Hα-helixtrans-67.3-39.1175.6-68.9172.3-14.700112.4L75 K76 K83 L115L75-Q79 HydrophobicContact CD1-CG 4.38Å; L75-Q79 WeakPolarHBondContact O-CG 3.38Å; L75-Q79 PolarHBondContact O-N 3.2Å; K76-Q79 PolarHBondContact O-N 2.94Å; Q79-K83 WeakPolarHBondContact O-CB 3.49Å; Q79-K83 PolarHBondContact O-N 2.97Å; Q79-K83 VanDerWaalsContact O-N 3.14Å; Q79-L115 HydrophobicContact CG-CD1 3.88Å
80E94.3Very high94.3Very high40 Ų4047.2 Ų47.219%0.18723%0.233CC..Hα-helixtrans-64.6-47.2173.8-73175.6179.700111.4K47 K76 W77 L82 K83 E84K47-E80 IonicContact NZ-OE2 2.89Å; K47-E80 PolarHBondContact NZ-OE2 3.18Å; K76-E80 VanDerWaalsContact CE-OE1 3.23Å; K76-E80 WeakPolarHBondContact CE-OE1 3.47Å; K76-E80 WeakPolarHBondContact O-CG 3.45Å; K76-E80 PolarHBondContact O-N 3.18Å; W77-E80 PolarHBondContact O-N 3.43Å; E80-L82 VanDerWaalsContact C-N 3.32Å; E80-L82 PolarHBondContact O-N 3.28Å; E80-K83 PolarHBondContact O-N 2.95Å; E80-E84 WeakPolarHBondContact O-CG 3.33Å; E80-E84 PolarHBondContact O-N 3.46Å
81A94Very high94.4Very high1 Ų148.1 Ų48.11%0.00824%0.238CC..Hα-helixtrans-60.5-39.1179.900000113W77 K83 D85 N86 F89 L90W77-A81 VanDerWaalsContact O-CB 3.25Å; W77-A81 WeakPolarHBondContact O-CB 3.5Å; W77-A81 PolarHBondContact O-N 2.97Å; A81-K83 VanDerWaalsContact C-N 3.34Å; A81-D85 PolarHBondContact O-N 2.93Å; A81-N86 PolarHBondContact O-N 3.41Å; A81-F89 HydrophobicContact CB-CD1 3.85Å; A81-F89 HydrophobicContact CB-CE1 4.3Å; A81-L90 HydrophobicContact CB-CB 4.22Å; A81-L90 HydrophobicContact CB-CD1 4.27Å
82L93.1Very high94.4Very high55 Ų5552 Ų5229%0.28826%0.256SS..Hα-helixtrans-76.2-18176.5-67.7172.1000113.8L78 E80 L90 L119L78-L82 HydrophobicContact CD1-CD1 4.19Å; L78-L82 HydrophobicContact CG-CD1 4.21Å; L78-L82 WeakPolarHBondContact O-CB 3.47Å; L78-L82 VanDerWaalsContact O-CG 3.23Å; L78-L82 WeakPolarHBondContact O-CG 3.45Å; L78-L82 PolarHBondContact O-N 3.4Å; L78-L82 VanDerWaalsContact O-N 3.12Å; E80-L82 VanDerWaalsContact C-N 3.32Å; E80-L82 PolarHBondContact O-N 3.28Å; L82-L90 HydrophobicContact CD2-CD1 4.15Å; L82-L90 HydrophobicContact CD2-CD2 3.59Å; L82-L90 HydrophobicContact CG-CD1 4.32Å; L82-L119 HydrophobicContact CD1-CD1 4.42Å; L82-L119 HydrophobicContact CD1-CD2 3.96Å; L82-L119 HydrophobicContact CD2-CD1 4.21Å; L82-L119 HydrophobicContact CD2-CD2 3.45Å; L82-L119 VanDerWaalsContact CD2-CD2 3.45Å; L82-L119 HydrophobicContact CD2-CG 4.47Å; L82-L119 HydrophobicContact CG-CD2 4.37Å
83K93.6Very high94.5Very high181 Ų18147.8 Ų47.879%0.78724%0.236SC*.Hα-helixtrans-89.1-24.2174.1-178.7172.1178.4175.30112.6Q79 E80 A81Q79-K83 WeakPolarHBondContact O-CB 3.49Å; Q79-K83 PolarHBondContact O-N 2.97Å; Q79-K83 VanDerWaalsContact O-N 3.14Å; E80-K83 PolarHBondContact O-N 2.95Å; A81-K83 VanDerWaalsContact C-N 3.34Å
84E92.4Very high94.6Very high111 Ų11146.9 Ų46.952%0.51923%0.231SC..THydrogen-bonded Turntrans-99.67.1-179.9-65.9179173.300112.9E80 N86E80-E84 WeakPolarHBondContact O-CG 3.33Å; E80-E84 PolarHBondContact O-N 3.46Å; E84-N86 HydrophobicContact CB-CB 4.32Å; E84-N86 PolarHBondContact O-N 3.36Å
85D92.8Very high94.6Very high102 Ų10251.4 Ų51.455%0.54525%0.251SS..THydrogen-bonded Turntrans47.633.1-173.8-82.6-66.6000113.3A81 Y87A81-D85 PolarHBondContact O-N 2.93Å; D85-Y87 VanDerWaalsContact C-N 3.31Å; D85-Y87 HydrophobicContact CB-CE2 3.85Å; D85-Y87 WeakPolarHBondContact O-CD2 3.37Å; D85-Y87 WeakPolarHBondContact O-CE2 3.25Å; D85-Y87 PolarHBondContact O-N 3.21Å; D85-Y87 WeakPolarHBondContact OD1-CE2 3.43Å; D85-Y87 PolarHBondContact OD1-OH 2.95Å
86N92.9Very high94.7Very high43 Ų4351 Ų5123%0.2325%0.249CC..  trans-89.368.9-171.2-168.3-19.5000110.8A81 E84 A88 F89 L90A81-N86 PolarHBondContact O-N 3.41Å; E84-N86 HydrophobicContact CB-CB 4.32Å; E84-N86 PolarHBondContact O-N 3.36Å; N86-A88 PolarHBondContact O-N 2.64Å; N86-F89 HydrophobicContact CB-CB 4.43Å; N86-F89 PolarHBondContact O-N 2.95Å; N86-F89 WeakPolarHBondContact OD1-CB 3.29Å; N86-F89 PolarHBondContact OD1-N 3.4Å; N86-F89 VanDerWaalsContact OD1-N 3.14Å; N86-L90 WeakPolarHBondContact O-CB 3.33Å; N86-L90 PolarHBondContact O-N 3.12Å
87Y94.1Very high94.7Very high70 Ų7046.9 Ų46.928%0.27523%0.231SC..Hα-helixtrans-56.2-33.8-176.8-64.5-76.5000113.4D85 L90 L91 H125 V128D85-Y87 VanDerWaalsContact C-N 3.31Å; D85-Y87 HydrophobicContact CB-CE2 3.85Å; D85-Y87 WeakPolarHBondContact O-CD2 3.37Å; D85-Y87 WeakPolarHBondContact O-CE2 3.25Å; D85-Y87 PolarHBondContact O-N 3.21Å; D85-Y87 WeakPolarHBondContact OD1-CE2 3.43Å; D85-Y87 PolarHBondContact OD1-OH 2.95Å; Y87-L90 HydrophobicContact CD1-CD2 4.17Å; Y87-L90 HydrophobicContact CE1-CD2 4.48Å; Y87-L90 PolarHBondContact O-N 2.98Å; Y87-L91 WeakPolarHBondContact O-CG 3.45Å; Y87-L91 PolarHBondContact O-N 3.31Å; Y87-H125 HydrophobicContact CD1-CB 3.72Å; Y87-H125 AromaticContact CD1-CD2 3.87Å; Y87-H125 HydrophobicContact CE1-CB 4.04Å; Y87-H125 HydrophobicContact CG-CB 4.35Å; Y87-H125 AromaticContact CG-CD2 3.65Å; Y87-V128 HydrophobicContact CD1-CG2 4.18Å
88A94.1Very high94.6Very high70 Ų7049.2 Ų49.258%0.57924%0.243SC*.Hα-helixtrans-64.5-48.4176.500000112.5N86 L91 E92N86-A88 PolarHBondContact O-N 2.64Å; A88-L91 PolarHBondContact O-N 2.6Å; A88-E92 PolarHBondContact O-N 3.49Å
89F95.3Very high94.5Very high8 Ų853.7 Ų53.74%0.03527%0.267CS..Hα-helixtrans-69.9-34.7175.5178-110.8000112.2L44 K47 L51 W77 A81 N86 L91 E92 L93L44-F89 HydrophobicContact CD1-CB 3.96Å; L44-F89 HydrophobicContact CD1-CD2 3.52Å; L44-F89 HydrophobicContact CD1-CE2 4.22Å; L44-F89 HydrophobicContact CD1-CG 3.76Å; K47-F89 HydrophobicContact CB-CE2 3.7Å; K47-F89 HydrophobicContact CB-CZ 3.84Å; K47-F89 HydrophobicContact CD-CE1 4.08Å; K47-F89 HydrophobicContact CD-CE2 4.18Å; K47-F89 HydrophobicContact CD-CZ 3.66Å; K47-F89 HydrophobicContact CG-CZ 4.33Å; L51-F89 HydrophobicContact CD1-CD2 4.34Å; L51-F89 HydrophobicContact CD1-CE2 3.56Å; L51-F89 HydrophobicContact CD1-CZ 4.03Å; W77-F89 HydrophobicContact CB-CE1 4.12Å; W77-F89 HydrophobicContact CB-CZ 4.26Å; W77-F89 HydrophobicContact CD2-CZ 4.37Å; W77-F89 HydrophobicContact CE3-CZ 4.03Å; W77-F89 HydrophobicContact CG-CZ 4.49Å; A81-F89 HydrophobicContact CB-CD1 3.85Å; A81-F89 HydrophobicContact CB-CE1 4.3Å; N86-F89 HydrophobicContact CB-CB 4.43Å; N86-F89 PolarHBondContact O-N 2.95Å; N86-F89 WeakPolarHBondContact OD1-CB 3.29Å; N86-F89 PolarHBondContact OD1-N 3.4Å; N86-F89 VanDerWaalsContact OD1-N 3.14Å; F89-L91 VanDerWaalsContact C-N 3.33Å; F89-L91 PolarHBondContact O-N 3.48Å; F89-E92 PolarHBondContact O-N 3.44Å; F89-L93 HydrophobicContact CE1-CD2 4.46Å; F89-L93 WeakPolarHBondContact O-CB 3.44Å; F89-L93 PolarHBondContact O-N 3.41Å
90L95.6Very high94.4Very high1 Ų149.3 Ų49.31%0.00525%0.247CC..Hα-helixtrans-60.8-40175-17962.4000112.1L78 A81 L82 N86 Y87 L93 L94 L119 V128L78-L90 HydrophobicContact CD1-CD1 3.48Å; L78-L90 VanDerWaalsContact CD1-CD1 3.48Å; A81-L90 HydrophobicContact CB-CB 4.22Å; A81-L90 HydrophobicContact CB-CD1 4.27Å; L82-L90 HydrophobicContact CD2-CD1 4.15Å; L82-L90 HydrophobicContact CD2-CD2 3.59Å; L82-L90 HydrophobicContact CG-CD1 4.32Å; N86-L90 WeakPolarHBondContact O-CB 3.33Å; N86-L90 PolarHBondContact O-N 3.12Å; Y87-L90 HydrophobicContact CD1-CD2 4.17Å; Y87-L90 HydrophobicContact CE1-CD2 4.48Å; Y87-L90 PolarHBondContact O-N 2.98Å; L90-L93 PolarHBondContact O-N 2.87Å; L90-L94 HydrophobicContact CD1-CD1 4.24Å; L90-L94 HydrophobicContact CD1-CG 4.29Å; L90-L94 HydrophobicContact CG-CD1 4.06Å; L90-L94 HydrophobicContact CG-CG 4.5Å; L90-L94 WeakPolarHBondContact O-CB 3.38Å; L90-L94 VanDerWaalsContact O-CG 3.26Å; L90-L94 WeakPolarHBondContact O-CG 3.44Å; L90-L94 PolarHBondContact O-N 3.3Å; L90-L119 HydrophobicContact CD1-CD1 4.36Å; L90-V128 HydrophobicContact CD2-CG1 3.65Å; L90-V128 HydrophobicContact CD2-CG2 4.13Å; L90-V128 HydrophobicContact CG-CG1 4.22Å; L90-V128 HydrophobicContact CG-CG2 4.4Å
91L95.6Very high94.2Very high20 Ų2049.5 Ų49.511%0.10525%0.251CS..Hα-helixtrans-62.9-46.5175.9-78.4167.3000112.1Y87 A88 F89 L93 L94 K95 E127 V128Y87-L91 WeakPolarHBondContact O-CG 3.45Å; Y87-L91 PolarHBondContact O-N 3.31Å; A88-L91 PolarHBondContact O-N 2.6Å; F89-L91 VanDerWaalsContact C-N 3.33Å; F89-L91 PolarHBondContact O-N 3.48Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 2.91Å; L91-L94 PolarHBondContact O-N 3.36Å; L91-K95 VanDerWaalsContact O-CG 3.31Å; L91-K95 WeakPolarHBondContact O-CG 3.39Å; L91-K95 PolarHBondContact O-N 2.82Å; L91-E127 HydrophobicContact CD1-CB 4.49Å; L91-E127 WeakPolarHBondContact CD1-OE2 3.49Å; L91-E127 HydrophobicContact CD2-CB 3.94Å; L91-V128 HydrophobicContact CD1-CG2 4.42Å; L91-V128 HydrophobicContact CD2-CB 4.4Å; L91-V128 HydrophobicContact CD2-CG2 3.55Å; L91-V128 HydrophobicContact CG-CG2 3.65Å
92E95.4Very high93.9Very high85 Ų8549.9 Ų49.940%0.39725%0.253SS..Hα-helixtrans-63.4-39.6176.1-61.5-47.1129.800112.3L51 A88 F89 K95 V96L51-E92 HydrophobicContact CD1-CB 4.33Å; A88-E92 PolarHBondContact O-N 3.49Å; F89-E92 PolarHBondContact O-N 3.44Å; E92-K95 PolarHBondContact O-N 2.83Å; E92-K95 IonicContact OE1-NZ 2.65Å; E92-K95 PolarHBondContact OE1-NZ 3.31Å; E92-K95 WeakPolarHBondContact OE2-CD 3.5Å; E92-K95 IonicContact OE2-NZ 3.84Å; E92-V96 PolarHBondContact O-N 3.13Å; E92-V96 VanDerWaalsContact O-N 3.15Å
93L96.4Very high93.7Very high0 Ų051.7 Ų51.70%026%0.256CS..Hα-helixtrans-63.8-41.3175.3-177.162.7000112.2L51 L74 W77 L78 F89 L90 L91 V96 Y97L51-L93 HydrophobicContact CD1-CB 4.19Å; L51-L93 HydrophobicContact CD1-CD1 4.28Å; L51-L93 HydrophobicContact CD2-CD1 3.72Å; L74-L93 HydrophobicContact CB-CD1 4.45Å; L74-L93 HydrophobicContact CD2-CD1 3.62Å; W77-L93 HydrophobicContact CB-CD2 4.17Å; L78-L93 VanDerWaalsContact CA-CD2 3.46Å; L78-L93 HydrophobicContact CB-CD2 3.8Å; L78-L93 HydrophobicContact CD1-CD2 4.16Å; F89-L93 HydrophobicContact CE1-CD2 4.46Å; F89-L93 WeakPolarHBondContact O-CB 3.44Å; F89-L93 PolarHBondContact O-N 3.41Å; L90-L93 PolarHBondContact O-N 2.87Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 2.91Å; L93-V96 PolarHBondContact O-N 3.41Å; L93-Y97 HydrophobicContact CD1-CD2 4.45Å; L93-Y97 HydrophobicContact CD1-CE2 4.07Å; L93-Y97 HydrophobicContact CD2-CE2 4.36Å; L93-Y97 HydrophobicContact CG-CD2 4.13Å; L93-Y97 HydrophobicContact CG-CE2 3.87Å; L93-Y97 VanDerWaalsContact O-CD2 3.27Å; L93-Y97 WeakPolarHBondContact O-CD2 3.44Å; L93-Y97 PolarHBondContact O-N 2.98Å
94L96.6Very high93.5Very high0 Ų045.7 Ų45.70%023%0.233CC..Hα-helixtrans-68.6-36.6175.9-71.3172.7000112.3L90 L91 V96 Y97 L98 I116 L119 V128 V131 I135L90-L94 HydrophobicContact CD1-CD1 4.24Å; L90-L94 HydrophobicContact CD1-CG 4.29Å; L90-L94 HydrophobicContact CG-CD1 4.06Å; L90-L94 HydrophobicContact CG-CG 4.5Å; L90-L94 WeakPolarHBondContact O-CB 3.38Å; L90-L94 VanDerWaalsContact O-CG 3.26Å; L90-L94 WeakPolarHBondContact O-CG 3.44Å; L90-L94 PolarHBondContact O-N 3.3Å; L91-L94 PolarHBondContact O-N 3.36Å; L94-V96 VanDerWaalsContact C-N 3.3Å; L94-V96 PolarHBondContact O-N 3.01Å; L94-Y97 HydrophobicContact CD2-CD2 4.42Å; L94-Y97 PolarHBondContact O-N 3.27Å; L94-L98 PolarHBondContact O-N 2.87Å; L94-I116 HydrophobicContact CD2-CD1 3.82Å; L94-I116 HydrophobicContact CD2-CG1 4.1Å; L94-I116 HydrophobicContact CD2-CG2 4.21Å; L94-L119 HydrophobicContact CD1-CD1 4.35Å; L94-V128 HydrophobicContact CD1-CB 4.46Å; L94-V128 HydrophobicContact CD1-CG1 3.77Å; L94-V131 HydrophobicContact CB-CG1 3.82Å; L94-I135 HydrophobicContact CB-CD1 4.02Å; L94-I135 HydrophobicContact CD2-CD1 3.7Å; L94-I135 HydrophobicContact CG-CD1 4.44Å; L94-I135 WeakPolarHBondContact O-CD1 3.26Å
95K95.6Very high93.3Very high97 Ų9744.8 Ų44.842%0.42223%0.228SC..Hα-helixtrans-57.7-42.7171.4-71.2167.6-170.1173.40111.4L91 E92 L98 L99L91-K95 VanDerWaalsContact O-CG 3.31Å; L91-K95 WeakPolarHBondContact O-CG 3.39Å; L91-K95 PolarHBondContact O-N 2.82Å; E92-K95 PolarHBondContact O-N 2.83Å; E92-K95 IonicContact OE1-NZ 2.65Å; E92-K95 PolarHBondContact OE1-NZ 3.31Å; E92-K95 WeakPolarHBondContact OE2-CD 3.5Å; E92-K95 IonicContact OE2-NZ 3.84Å; K95-L98 WeakPolarHBondContact O-CB 3.5Å; K95-L98 PolarHBondContact O-N 3.31Å; K95-L99 WeakPolarHBondContact O-CG 3.49Å; K95-L99 PolarHBondContact O-N 2.79Å; K95-L99 VanDerWaalsContact O-N 3.13Å
96V95.9Very high93.1Very high6 Ų640 Ų404%0.03620%0.203CC..Hα-helixtrans-63.5-45.6173.9174.50000111.6L51 I54 A55 E92 L93 L94 L98 L99 L100L51-V96 HydrophobicContact CB-CG2 3.9Å; L51-V96 HydrophobicContact CD2-CB 4.23Å; L51-V96 HydrophobicContact CD2-CG1 4.33Å; L51-V96 HydrophobicContact CD2-CG2 3.96Å; L51-V96 HydrophobicContact CG-CG2 4.42Å; I54-V96 HydrophobicContact CB-CG1 4.34Å; I54-V96 HydrophobicContact CG2-CG1 3.68Å; A55-V96 HydrophobicContact CB-CG2 4.41Å; E92-V96 PolarHBondContact O-N 3.13Å; E92-V96 VanDerWaalsContact O-N 3.15Å; L93-V96 PolarHBondContact O-N 3.41Å; L94-V96 VanDerWaalsContact C-N 3.3Å; L94-V96 PolarHBondContact O-N 3.01Å; V96-L98 PolarHBondContact O-N 3.02Å; V96-L99 PolarHBondContact O-N 2.96Å; V96-L100 HydrophobicContact CG1-CD1 4.15Å; V96-L100 HydrophobicContact CG1-CG 4.18Å; V96-L100 WeakPolarHBondContact O-CG 3.39Å; V96-L100 PolarHBondContact O-N 3.24Å
97Y95.5Very high93Very high1 Ų138.6 Ų38.60%0.00420%0.195CC..Hα-helixtrans-58.7-30.1174.1-81.4-63.3000113.9W71 L74 L75 L78 L93 L94 L100 C112 I116 W139W71-Y97 HydrophobicContact CE3-CE1 4.09Å; W71-Y97 HydrophobicContact CH2-CD1 4.27Å; W71-Y97 AromaticContact CH2-CE1 3.94Å; W71-Y97 HydrophobicContact CH2-CE1 3.94Å; W71-Y97 AromaticContact CZ3-CD1 3.82Å; W71-Y97 HydrophobicContact CZ3-CD1 3.82Å; W71-Y97 AromaticContact CZ3-CE1 3.49Å; W71-Y97 HydrophobicContact CZ3-CE1 3.49Å; W71-Y97 VanDerWaalsContact CZ3-CE1 3.49Å; L74-Y97 HydrophobicContact CB-CE1 4.37Å; L74-Y97 WeakPolarHBondContact CB-OH 3.21Å; L74-Y97 PolarHBondContact O-OH 3.33Å; L75-Y97 PolarHBondContact N-OH 3.4Å; L78-Y97 HydrophobicContact CB-CE2 4.46Å; L78-Y97 HydrophobicContact CD2-CE2 4.22Å; L93-Y97 HydrophobicContact CD1-CD2 4.45Å; L93-Y97 HydrophobicContact CD1-CE2 4.07Å; L93-Y97 HydrophobicContact CD2-CE2 4.36Å; L93-Y97 HydrophobicContact CG-CD2 4.13Å; L93-Y97 HydrophobicContact CG-CE2 3.87Å; L93-Y97 VanDerWaalsContact O-CD2 3.27Å; L93-Y97 WeakPolarHBondContact O-CD2 3.44Å; L93-Y97 PolarHBondContact O-N 2.98Å; L94-Y97 HydrophobicContact CD2-CD2 4.42Å; L94-Y97 PolarHBondContact O-N 3.27Å; Y97-L100 HydrophobicContact CD1-CD1 4.41Å; Y97-C112 VanDerWaalsContact CE1-SG 3.53Å; Y97-C112 VanDerWaalsContact CZ-SG 3.57Å; Y97-C112 PolarHBondContact OH-SG 3.11Å; Y97-I116 HydrophobicContact CD1-CD1 4.4Å; Y97-I116 HydrophobicContact CD2-CD1 3.89Å; Y97-I116 HydrophobicContact CE2-CD1 4.23Å; Y97-I116 HydrophobicContact CG-CD1 3.98Å; Y97-W139 AromaticContact CD1-CH2 3.99Å; Y97-W139 HydrophobicContact CD1-CH2 3.99Å; Y97-W139 HydrophobicContact CD1-CZ2 4.01Å; Y97-W139 HydrophobicContact CE1-CH2 4.46Å
98L93.8Very high92.8Very high48 Ų4840.2 Ų40.225%0.25121%0.212SC..Hα-helixtrans-73.8-33.5174.9-174.163.3000112.3L94 K95 V96 E134 I135 K138L94-L98 PolarHBondContact O-N 2.87Å; K95-L98 WeakPolarHBondContact O-CB 3.5Å; K95-L98 PolarHBondContact O-N 3.31Å; V96-L98 PolarHBondContact O-N 3.02Å; L98-E134 HydrophobicContact CD1-CB 4.16Å; L98-I135 HydrophobicContact CB-CD1 4.48Å; L98-I135 HydrophobicContact CB-CG1 3.92Å; L98-I135 HydrophobicContact CD1-CG1 3.97Å; L98-K138 HydrophobicContact CD1-CD 4.35Å; L98-K138 PolarHBondContact O-NZ 3.26Å
99L93Very high92.5Very high95 Ų9541.9 Ų41.950%0.49721%0.208SC..Hα-helixtrans-72.1-49.5176.6-68.1172.7000112.1A55 K95 V96 K138A55-L99 HydrophobicContact CB-CD1 3.72Å; K95-L99 WeakPolarHBondContact O-CG 3.49Å; K95-L99 PolarHBondContact O-N 2.79Å; K95-L99 VanDerWaalsContact O-N 3.13Å; V96-L99 PolarHBondContact O-N 2.96Å; L99-K138 PolarHBondContact O-NZ 2.94Å
100L93.3Very high92Very high2 Ų243.4 Ų43.41%0.0122%0.217CC..SBendtrans-48.5136.7-169.2-73.2172.5000114.6I54 Q62 W71 L74 V96 Y97 V102I54-L100 HydrophobicContact CG2-CD2 3.87Å; Q62-L100 HydrophobicContact CB-CD2 3.78Å; Q62-L100 HydrophobicContact CG-CD2 4.04Å; W71-L100 HydrophobicContact CZ3-CD1 4.5Å; L74-L100 HydrophobicContact CD1-CD1 3.91Å; V96-L100 HydrophobicContact CG1-CD1 4.15Å; V96-L100 HydrophobicContact CG1-CG 4.18Å; V96-L100 WeakPolarHBondContact O-CG 3.39Å; V96-L100 PolarHBondContact O-N 3.24Å; Y97-L100 HydrophobicContact CD1-CD1 4.41Å; L100-V102 HydrophobicContact CB-CG2 3.83Å; L100-V102 PolarHBondContact O-N 2.74Å
101P89.7Confident91.9Very high43 Ų4346.4 Ų46.428%0.27924%0.235SC..  trans-80.766.3174.832.8-35.2000111.6P59 Q62 L63P59-P101 HydrophobicContact CB-CG 4.06Å; P59-P101 VanDerWaalsContact O-CG 3.29Å; P59-P101 WeakPolarHBondContact O-CG 3.42Å; Q62-P101 HydrophobicContact CB-CG 4.22Å; Q62-P101 VanDerWaalsContact OE1-CD 3.22Å; L63-P101 HydrophobicContact CB-CG 4.17Å
102V88Confident91.8Very high9 Ų945.4 Ų45.46%0.05523%0.23CC..  trans-69.1127.8-178-165.80000111.2W71 L100 Q106 L107 W139W71-V102 HydrophobicContact CH2-CG1 3.82Å; W71-V102 HydrophobicContact CH2-CG2 4.23Å; W71-V102 HydrophobicContact CZ2-CG1 4.33Å; W71-V102 HydrophobicContact CZ3-CG1 4.27Å; W71-V102 HydrophobicContact CZ3-CG2 4.07Å; L100-V102 HydrophobicContact CB-CG2 3.83Å; L100-V102 PolarHBondContact O-N 2.74Å; V102-Q106 HydrophobicContact CG1-CB 3.56Å; V102-L107 HydrophobicContact CG1-CD2 3.65Å; V102-L107 HydrophobicContact CG1-CG 3.82Å; V102-W139 HydrophobicContact CG2-CZ2 4.05Å
103R88.4Confident91.7Very high93 Ų9342.9 Ų42.935%0.35122%0.221SC..  trans-99.8171.6174.6-53.5-173.9-68.6132.74.1111L63 E105 Q106 L107L63-R103 HydrophobicContact CD1-CG 4.25Å; R103-E105 IonicContact CZ-OE1 2.65Å; R103-E105 IonicContact CZ-OE2 3.8Å; R103-E105 IonicContact NH1-OE1 3.73Å; R103-E105 PolarHBondContact NH1-OE1 2.73Å; R103-E105 IonicContact NH1-OE2 2.71Å; R103-E105 IonicContact NH2-OE1 3.53Å; R103-E105 PolarHBondContact NH2-OE1 2.65Å; R103-E105 IonicContact NH2-OE2 3.15Å; R103-E105 PolarHBondContact NH2-OE2 2.78Å; R103-E105 PolarHBondContact O-N 3.49Å; R103-Q106 PolarHBondContact O-N 2.96Å; R103-Q106 VanDerWaalsContact O-N 3.17Å; R103-L107 PolarHBondContact O-N 2.9Å
104L89Confident91.6Very high55 Ų5550.5 Ų50.529%0.28825%0.254SS..Hα-helixtrans-54.9-39.1-179.9-178.863.2000112.4Q106 L107 T108 I143 D146L104-Q106 PolarHBondContact O-N 2.96Å; L104-L107 CarbonylContact O-C 3.56Å; L104-L107 WeakPolarHBondContact O-CB 3.49Å; L104-L107 PolarHBondContact O-N 3.25Å; L104-L107 VanDerWaalsContact O-N 3.13Å; L104-T108 HydrophobicContact CD1-CG2 3.99Å; L104-T108 HydrophobicContact CG-CG2 4.24Å; L104-T108 WeakPolarHBondContact O-CG2 3.42Å; L104-T108 PolarHBondContact O-N 3.1Å; L104-T108 PolarHBondContact O-OG1 3.19Å; L104-I143 HydrophobicContact CD1-CG1 3.94Å; L104-D146 VanDerWaalsContact CB-OD2 3.27Å; L104-D146 WeakPolarHBondContact CB-OD2 3.41Å; L104-D146 HydrophobicContact CD2-CB 4.5Å; L104-D146 WeakPolarHBondContact CD2-OD2 3.29Å
105E88.1Confident91.5Very high92 Ų9252.6 Ų52.643%0.4327%0.265SS..Hα-helixtrans-50.6-52.8175.5-63.9166.3-149.100112.5R103 L107 T108 Q109R103-E105 IonicContact CZ-OE1 2.65Å; R103-E105 IonicContact CZ-OE2 3.8Å; R103-E105 IonicContact NH1-OE1 3.73Å; R103-E105 PolarHBondContact NH1-OE1 2.73Å; R103-E105 IonicContact NH1-OE2 2.71Å; R103-E105 IonicContact NH2-OE1 3.53Å; R103-E105 PolarHBondContact NH2-OE1 2.65Å; R103-E105 IonicContact NH2-OE2 3.15Å; R103-E105 PolarHBondContact NH2-OE2 2.78Å; R103-E105 PolarHBondContact O-N 3.49Å; E105-L107 VanDerWaalsContact C-N 3.3Å; E105-L107 PolarHBondContact O-N 3.18Å; E105-T108 PolarHBondContact O-N 2.92Å; E105-T108 VanDerWaalsContact O-N 3.17Å; E105-T108 PolarHBondContact O-OG1 2.87Å; E105-T108 VanDerWaalsContact O-OG1 3.06Å; E105-Q109 VanDerWaalsContact O-CG 3.27Å; E105-Q109 WeakPolarHBondContact O-CG 3.35Å; E105-Q109 PolarHBondContact O-N 3.1Å
106Q88.9Confident91.5Very high1 Ų148 Ų481%0.00525%0.245CC..Hα-helixtrans-65.5-34180-73.568.543.700112C66 W71 V102 R103 L104 T108C66-Q106 HydrophobicContact CB-CG 4.23Å; W71-Q106 HydrophobicContact CD2-CB 4.36Å; W71-Q106 HydrophobicContact CZ2-CB 4.04Å; W71-Q106 VanDerWaalsContact CZ2-O 3.29Å; W71-Q106 WeakPolarHBondContact CZ2-O 3.45Å; W71-Q106 PolarHBondContact NE1-O 2.88Å; V102-Q106 HydrophobicContact CG1-CB 3.56Å; R103-Q106 PolarHBondContact O-N 2.96Å; R103-Q106 VanDerWaalsContact O-N 3.17Å; L104-Q106 PolarHBondContact O-N 2.96Å; Q106-T108 VanDerWaalsContact C-N 3.31Å; Q106-T108 PolarHBondContact O-N 3.24Å
107L90.9Very high91.5Very high15 Ų1550.6 Ų50.68%0.07926%0.258CS..Hα-helixtrans-71.7-22.2176.3-60.7175.8000113.4V102 R103 L104 E105 P113 W139 V142 I143V102-L107 HydrophobicContact CG1-CD2 3.65Å; V102-L107 HydrophobicContact CG1-CG 3.82Å; R103-L107 PolarHBondContact O-N 2.9Å; L104-L107 CarbonylContact O-C 3.56Å; L104-L107 WeakPolarHBondContact O-CB 3.49Å; L104-L107 PolarHBondContact O-N 3.25Å; L104-L107 VanDerWaalsContact O-N 3.13Å; E105-L107 VanDerWaalsContact C-N 3.3Å; E105-L107 PolarHBondContact O-N 3.18Å; L107-P113 HydrophobicContact CB-CG 4.25Å; L107-P113 HydrophobicContact CD2-CG 3.75Å; L107-W139 HydrophobicContact CD1-CB 4Å; L107-W139 HydrophobicContact CD1-CG 4.26Å; L107-W139 HydrophobicContact CD2-CB 4.1Å; L107-W139 HydrophobicContact CD2-CD2 3.41Å; L107-W139 VanDerWaalsContact CD2-CD2 3.41Å; L107-W139 HydrophobicContact CD2-CE3 3.57Å; L107-W139 HydrophobicContact CD2-CG 3.68Å; L107-W139 HydrophobicContact CD2-CH2 4.5Å; L107-W139 HydrophobicContact CD2-CZ2 4.4Å; L107-W139 HydrophobicContact CD2-CZ3 4.12Å; L107-V142 HydrophobicContact CD1-CG1 4.43Å; L107-I143 HydrophobicContact CD1-CD1 4.09Å; L107-I143 HydrophobicContact CD1-CG1 3.87Å
108T90.5Very high91.5Very high103 Ų10352.4 Ų52.463%0.63227%0.271SS*.Hα-helixtrans-98.7-22.8178.255.80000113.9L104 E105 Q106 N110L104-T108 HydrophobicContact CD1-CG2 3.99Å; L104-T108 HydrophobicContact CG-CG2 4.24Å; L104-T108 WeakPolarHBondContact O-CG2 3.42Å; L104-T108 PolarHBondContact O-N 3.1Å; L104-T108 PolarHBondContact O-OG1 3.19Å; E105-T108 PolarHBondContact O-N 2.92Å; E105-T108 VanDerWaalsContact O-N 3.17Å; E105-T108 PolarHBondContact O-OG1 2.87Å; E105-T108 VanDerWaalsContact O-OG1 3.06Å; Q106-T108 VanDerWaalsContact C-N 3.31Å; Q106-T108 PolarHBondContact O-N 3.24Å; T108-N110 VanDerWaalsContact C-N 3.32Å; T108-N110 PolarHBondContact O-N 3.47Å
109Q86.3Confident91.5Very high105 Ų10550.6 Ų50.649%0.49126%0.262SS..Hα-helixtrans-57.1-41.7175.7-81.8165.4-16.400112.8E105E105-Q109 VanDerWaalsContact O-CG 3.27Å; E105-Q109 WeakPolarHBondContact O-CG 3.35Å; E105-Q109 PolarHBondContact O-N 3.1Å
110N86.1Confident91.7Very high40 Ų4047.7 Ų47.721%0.21425%0.248CC..SBendtrans-136.2164.8-161-87.7-33.6000115.9W71 E72 L75 T108 C112 P113W71-N110 VanDerWaalsContact CD1-ND2 3.3Å; E72-N110 PolarHBondContact OE1-ND2 3.04Å; E72-N110 PolarHBondContact OE2-ND2 3.45Å; E72-N110 PolarHBondContact OE2-OD1 3.29Å; L75-N110 HydrophobicContact CD2-CB 4Å; T108-N110 VanDerWaalsContact C-N 3.32Å; T108-N110 PolarHBondContact O-N 3.47Å; N110-C112 PolarHBondContact O-N 3.41Å; N110-P113 VanDerWaalsContact O-CD 3.31Å; N110-P113 WeakPolarHBondContact O-CD 3.45Å
111V93.2Very high91.6Very high64 Ų6455.7 Ų55.739%0.38828%0.283SS..SBendtrans-73.7-2.6174.8-600000114.4L75 K114 L115L75-V111 HydrophobicContact CD1-CG2 4.13Å; L75-V111 HydrophobicContact CD2-CG2 4.27Å; V111-K114 WeakPolarHBondContact O-CA 3.46Å; V111-K114 WeakPolarHBondContact O-CB 3.49Å; V111-K114 PolarHBondContact O-N 3.14Å; V111-L115 HydrophobicContact CG2-CD1 4.3Å; V111-L115 PolarHBondContact O-N 3.37Å
112C92.9Very high91.6Very high0 Ų063.9 Ų63.90%031%0.308CS..Hα-helixtrans-49.8-47.3-178.7178.50000113.4W71 L75 Y97 N110 K114 L115 I116W71-C112 HydrophobicContact CZ2-CB 4.14Å; L75-C112 HydrophobicContact CD1-CB 4.11Å; Y97-C112 VanDerWaalsContact CE1-SG 3.53Å; Y97-C112 VanDerWaalsContact CZ-SG 3.57Å; Y97-C112 PolarHBondContact OH-SG 3.11Å; N110-C112 PolarHBondContact O-N 3.41Å; C112-K114 VanDerWaalsContact C-N 3.28Å; C112-K114 PolarHBondContact O-N 3.47Å; C112-L115 PolarHBondContact O-N 3Å; C112-L115 VanDerWaalsContact O-N 3.14Å; C112-I116 PolarHBondContact O-N 3.19Å
113P93.3Very high91.6Very high32 Ų3263.8 Ų63.821%0.20831%0.308CS..Hα-helixtrans-66.2-25.9177-22.836.8000114.3L107 N110 N117 W139L107-P113 HydrophobicContact CB-CG 4.25Å; L107-P113 HydrophobicContact CD2-CG 3.75Å; N110-P113 VanDerWaalsContact O-CD 3.31Å; N110-P113 WeakPolarHBondContact O-CD 3.45Å; P113-N117 WeakPolarHBondContact O-CB 3.42Å; P113-N117 PolarHBondContact O-N 3.39Å; P113-N117 VanDerWaalsContact O-N 3.14Å; P113-W139 HydrophobicContact CB-CE3 4.07Å; P113-W139 HydrophobicContact CB-CZ3 4.08Å; P113-W139 HydrophobicContact CG-CE3 4.13Å; P113-W139 HydrophobicContact CG-CZ3 3.96Å
114K94.3Very high91.7Very high160 Ų16066.6 Ų66.670%0.69633%0.33SS*.Hα-helixtrans-71.5-41173.1-61.1179.8-179175.10110.8V111 C112 S118V111-K114 WeakPolarHBondContact O-CA 3.46Å; V111-K114 WeakPolarHBondContact O-CB 3.49Å; V111-K114 PolarHBondContact O-N 3.14Å; C112-K114 VanDerWaalsContact C-N 3.28Å; C112-K114 PolarHBondContact O-N 3.47Å; K114-S118 PolarHBondContact O-N 2.85Å
115L95.4Very high91.8Very high43 Ų4367.1 Ų67.123%0.22533%0.331CS..Hα-helixtrans-65.1-54.4177.4-66.7177.4000111.6L75 L78 Q79 V111 C112 N117 S118 L119L75-L115 HydrophobicContact CD1-CD1 3.63Å; L78-L115 HydrophobicContact CD2-CB 4.08Å; L78-L115 HydrophobicContact CD2-CD1 4.23Å; Q79-L115 HydrophobicContact CG-CD1 3.88Å; V111-L115 HydrophobicContact CG2-CD1 4.3Å; V111-L115 PolarHBondContact O-N 3.37Å; C112-L115 PolarHBondContact O-N 3Å; C112-L115 VanDerWaalsContact O-N 3.14Å; L115-N117 VanDerWaalsContact C-N 3.32Å; L115-N117 PolarHBondContact O-N 3.22Å; L115-S118 WeakPolarHBondContact O-CA 3.31Å; L115-S118 WeakPolarHBondContact O-CB 3.36Å; L115-S118 PolarHBondContact O-N 2.84Å; L115-S118 PolarHBondContact O-OG 2.92Å; L115-L119 PolarHBondContact O-N 3.25Å; L115-L119 VanDerWaalsContact O-N 3.15Å
116I95.8Very high92.1Very high0 Ų068.5 Ų68.50%034%0.337CS..Hα-helixtrans-62.9-39-179.6-58.7-174.8000111.2L78 L94 Y97 C112 S118 L119 T120 A132 I135 V136 W139L78-I116 HydrophobicContact CD2-CD1 4.36Å; L78-I116 HydrophobicContact CD2-CG1 3.88Å; L94-I116 HydrophobicContact CD2-CD1 3.82Å; L94-I116 HydrophobicContact CD2-CG1 4.1Å; L94-I116 HydrophobicContact CD2-CG2 4.21Å; Y97-I116 HydrophobicContact CD1-CD1 4.4Å; Y97-I116 HydrophobicContact CD2-CD1 3.89Å; Y97-I116 HydrophobicContact CE2-CD1 4.23Å; Y97-I116 HydrophobicContact CG-CD1 3.98Å; C112-I116 PolarHBondContact O-N 3.19Å; I116-S118 PolarHBondContact O-N 3.06Å; I116-L119 WeakPolarHBondContact O-CB 3.19Å; I116-L119 PolarHBondContact O-N 2.65Å; I116-L119 VanDerWaalsContact O-N 3.12Å; I116-T120 PolarHBondContact O-N 3.47Å; I116-A132 HydrophobicContact CG2-CB 3.75Å; I116-I135 HydrophobicContact CD1-CD1 4.47Å; I116-I135 HydrophobicContact CD1-CG2 4.25Å; I116-I135 HydrophobicContact CG2-CB 4.25Å; I116-I135 HydrophobicContact CG2-CD1 4.35Å; I116-I135 HydrophobicContact CG2-CG2 4.14Å; I116-V136 HydrophobicContact CG2-CG2 4.16Å; I116-W139 HydrophobicContact CD1-CH2 3.66Å; I116-W139 HydrophobicContact CD1-CZ3 3.92Å
117N95.7Very high92.3Very high61 Ų6174.2 Ų74.233%0.32636%0.364SS..Hα-helixtrans-63.9-25.8172-17779.8000113.4P113 L115 T120 V136P113-N117 WeakPolarHBondContact O-CB 3.42Å; P113-N117 PolarHBondContact O-N 3.39Å; P113-N117 VanDerWaalsContact O-N 3.14Å; L115-N117 VanDerWaalsContact C-N 3.32Å; L115-N117 PolarHBondContact O-N 3.22Å; N117-T120 PolarHBondContact O-OG1 3.15Å; N117-V136 HydrophobicContact CB-CG2 4.01Å
118S95.1Very high92.6Very high39 Ų3973.5 Ų73.527%0.27336%0.36SS..Hα-helixtrans-72.8-34.8171.781.50000112.6K114 L115 I116 T120 K121 R122K114-S118 PolarHBondContact O-N 2.85Å; L115-S118 WeakPolarHBondContact O-CA 3.31Å; L115-S118 WeakPolarHBondContact O-CB 3.36Å; L115-S118 PolarHBondContact O-N 2.84Å; L115-S118 PolarHBondContact O-OG 2.92Å; I116-S118 PolarHBondContact O-N 3.06Å; S118-T120 VanDerWaalsContact C-N 3.28Å; S118-T120 PolarHBondContact O-N 3.36Å; S118-K121 PolarHBondContact O-N 3.15Å; S118-R122 WeakPolarHBondContact O-CB 3.4Å; S118-R122 PolarHBondContact O-N 3.14Å
119L94.6Very high92.8Very high11 Ų1171.9 Ų71.96%0.05834%0.344CS..Hα-helixtrans-62.9-33.4176.8-56.8-177.5000112.4L82 L90 L94 L115 I116 K121 C123 V128 A132L82-L119 HydrophobicContact CD1-CD1 4.42Å; L82-L119 HydrophobicContact CD1-CD2 3.96Å; L82-L119 HydrophobicContact CD2-CD1 4.21Å; L82-L119 HydrophobicContact CD2-CD2 3.45Å; L82-L119 VanDerWaalsContact CD2-CD2 3.45Å; L82-L119 HydrophobicContact CD2-CG 4.47Å; L82-L119 HydrophobicContact CG-CD2 4.37Å; L90-L119 HydrophobicContact CD1-CD1 4.36Å; L94-L119 HydrophobicContact CD1-CD1 4.35Å; L115-L119 PolarHBondContact O-N 3.25Å; L115-L119 VanDerWaalsContact O-N 3.15Å; I116-L119 WeakPolarHBondContact O-CB 3.19Å; I116-L119 PolarHBondContact O-N 2.65Å; I116-L119 VanDerWaalsContact O-N 3.12Å; L119-K121 PolarHBondContact O-N 3.46Å; L119-C123 HydrophobicContact CB-CB 4.36Å; L119-C123 VanDerWaalsContact O-CB 3.28Å; L119-C123 WeakPolarHBondContact O-CB 3.34Å; L119-C123 PolarHBondContact O-N 3.45Å; L119-V128 HydrophobicContact CD1-CG1 4.28Å; L119-A132 HydrophobicContact CB-CB 3.98Å
120T95.4Very high93.3Very high33 Ų3370.2 Ų70.220%0.20234%0.344CS..Hα-helixtrans-60.4-13.5173.5730000114.4I116 N117 S118 A132 A133 V136I116-T120 PolarHBondContact O-N 3.47Å; N117-T120 PolarHBondContact O-OG1 3.15Å; S118-T120 VanDerWaalsContact C-N 3.28Å; S118-T120 PolarHBondContact O-N 3.36Å; T120-A132 HydrophobicContact CG2-CB 3.86Å; T120-A133 HydrophobicContact CG2-CB 4.2Å; T120-V136 HydrophobicContact CG2-CB 4.47Å; T120-V136 HydrophobicContact CG2-CG2 4.04Å
121K92.7Very high93.8Very high171 Ų17169.5 Ų69.574%0.74334%0.342SS*.Hα-helixtrans-124.1-28.6-176.4-61.3-168.4175.9-164.50115.1S118 L119S118-K121 PolarHBondContact O-N 3.15Å; L119-K121 PolarHBondContact O-N 3.46Å
122R89Confident94Very high214 Ų21466.5 Ų66.581%0.80832%0.323SS*.Hα-helixtrans-119.12.9-168.3-64.3-173.1173-165.2-3.6114.5S118S118-R122 WeakPolarHBondContact O-CB 3.4Å; S118-R122 PolarHBondContact O-N 3.14Å
123C89.1Confident94.2Very high8 Ų868.8 Ų68.85%0.05434%0.342CS..  trans-100.5127.2176.7-171.10000109.7L119 H125 V128L119-C123 HydrophobicContact CB-CB 4.36Å; L119-C123 VanDerWaalsContact O-CB 3.28Å; L119-C123 WeakPolarHBondContact O-CB 3.34Å; L119-C123 PolarHBondContact O-N 3.45Å; C123-H125 VanDerWaalsContact C-N 3.31Å; C123-V128 HydrophobicContact CB-CG1 4.4Å
124D89.3Confident94.4Very high152 Ų15272.3 Ų72.381%0.81336%0.356SS*.  trans-79.2-16.7176.8-57.3-54000112.6E126D124-E126 PolarHBondContact O-N 3.23Å
125H92.1Very high94.5Very high65 Ų6564.7 Ų64.730%0.30132%0.323SS..  trans-80.199.5178.2-163.5-55.1000110.8Y87 C123 E127 V128 K129Y87-H125 HydrophobicContact CD1-CB 3.72Å; Y87-H125 AromaticContact CD1-CD2 3.87Å; Y87-H125 HydrophobicContact CE1-CB 4.04Å; Y87-H125 HydrophobicContact CG-CB 4.35Å; Y87-H125 AromaticContact CG-CD2 3.65Å; C123-H125 VanDerWaalsContact C-N 3.31Å; H125-E127 VanDerWaalsContact C-N 3.31Å; H125-E127 IonicContact CE1-OE2 3.86Å; H125-E127 PolarHBondContact O-N 3.21Å; H125-E127 VanDerWaalsContact O-N 3.17Å; H125-V128 HydrophobicContact CB-CB 4.23Å; H125-V128 HydrophobicContact CB-CG2 4.27Å; H125-V128 WeakPolarHBondContact O-CB 3.16Å; H125-V128 PolarHBondContact O-N 3.32Å; H125-K129 PolarHBondContact O-N 2.97Å
126E93.4Very high94.5Very high121 Ų12163.3 Ų63.357%0.56532%0.316SS*.Hα-helixtrans-54.1-37.9-172.9-72.6-64.6125.200114.3D124 K129 S130D124-E126 PolarHBondContact O-N 3.23Å; E126-K129 WeakPolarHBondContact O-CB 3.44Å; E126-K129 PolarHBondContact O-N 3.42Å; E126-K129 VanDerWaalsContact OE1-CD 3.32Å; E126-K129 WeakPolarHBondContact OE1-CD 3.23Å; E126-K129 IonicContact OE1-NZ 2.7Å; E126-K129 PolarHBondContact OE1-NZ 3.02Å; E126-K129 IonicContact OE2-NZ 3.4Å; E126-S130 VanDerWaalsContact O-CB 3.3Å; E126-S130 WeakPolarHBondContact O-CB 3.45Å; E126-S130 PolarHBondContact O-N 2.95Å
127E94.3Very high94.5Very high122 Ų12269.6 Ų69.657%0.5734%0.343SS*.Hα-helixtrans-62.3-45176-58.1-172.6160.300112.8L91 H125 K129 S130 V131L91-E127 HydrophobicContact CD1-CB 4.49Å; L91-E127 WeakPolarHBondContact CD1-OE2 3.49Å; L91-E127 HydrophobicContact CD2-CB 3.94Å; H125-E127 VanDerWaalsContact C-N 3.31Å; H125-E127 IonicContact CE1-OE2 3.86Å; H125-E127 PolarHBondContact O-N 3.21Å; H125-E127 VanDerWaalsContact O-N 3.17Å; E127-K129 VanDerWaalsContact C-N 3.34Å; E127-K129 PolarHBondContact O-N 3.14Å; E127-S130 WeakPolarHBondContact O-CB 3.41Å; E127-S130 PolarHBondContact O-N 3.08Å; E127-V131 WeakPolarHBondContact O-CG2 3.48Å; E127-V131 PolarHBondContact O-N 3.04Å
128V95.9Very high94.4Very high0 Ų070.4 Ų70.40%034%0.344CS..Hα-helixtrans-63.3-43.5178.2166.70000110.4Y87 L90 L91 L94 L119 C123 H125 S130 A132Y87-V128 HydrophobicContact CD1-CG2 4.18Å; L90-V128 HydrophobicContact CD2-CG1 3.65Å; L90-V128 HydrophobicContact CD2-CG2 4.13Å; L90-V128 HydrophobicContact CG-CG1 4.22Å; L90-V128 HydrophobicContact CG-CG2 4.4Å; L91-V128 HydrophobicContact CD1-CG2 4.42Å; L91-V128 HydrophobicContact CD2-CB 4.4Å; L91-V128 HydrophobicContact CD2-CG2 3.55Å; L91-V128 HydrophobicContact CG-CG2 3.65Å; L94-V128 HydrophobicContact CD1-CB 4.46Å; L94-V128 HydrophobicContact CD1-CG1 3.77Å; L119-V128 HydrophobicContact CD1-CG1 4.28Å; C123-V128 HydrophobicContact CB-CG1 4.4Å; H125-V128 HydrophobicContact CB-CB 4.23Å; H125-V128 HydrophobicContact CB-CG2 4.27Å; H125-V128 WeakPolarHBondContact O-CB 3.16Å; H125-V128 PolarHBondContact O-N 3.32Å; V128-S130 VanDerWaalsContact C-N 3.35Å; V128-A132 WeakPolarHBondContact O-CB 3.49Å; V128-A132 PolarHBondContact O-N 3.23Å
129K95.9Very high94.4Very high68 Ų6869 Ų6930%0.29633%0.332SS..Hα-helixtrans-62.3-40176.6-175.4-174.7-178.3175.40111.9H125 E126 E127 A133H125-K129 PolarHBondContact O-N 2.97Å; E126-K129 WeakPolarHBondContact O-CB 3.44Å; E126-K129 PolarHBondContact O-N 3.42Å; E126-K129 VanDerWaalsContact OE1-CD 3.32Å; E126-K129 WeakPolarHBondContact OE1-CD 3.23Å; E126-K129 IonicContact OE1-NZ 2.7Å; E126-K129 PolarHBondContact OE1-NZ 3.02Å; E126-K129 IonicContact OE2-NZ 3.4Å; E127-K129 VanDerWaalsContact C-N 3.34Å; E127-K129 PolarHBondContact O-N 3.14Å; K129-A133 WeakPolarHBondContact O-CB 3.26Å; K129-A133 PolarHBondContact O-N 3.48Å
130S96.4Very high94.4Very high70 Ų7074.2 Ų74.249%0.4936%0.355SS..Hα-helixtrans-64.8-55.8175.4-172.70000111.8E126 E127 V128 A132 A133 E134E126-S130 VanDerWaalsContact O-CB 3.3Å; E126-S130 WeakPolarHBondContact O-CB 3.45Å; E126-S130 PolarHBondContact O-N 2.95Å; E127-S130 WeakPolarHBondContact O-CB 3.41Å; E127-S130 PolarHBondContact O-N 3.08Å; V128-S130 VanDerWaalsContact C-N 3.35Å; S130-A132 VanDerWaalsContact C-N 3.31Å; S130-A132 PolarHBondContact O-N 3.33Å; S130-A133 WeakPolarHBondContact O-CA 3.47Å; S130-A133 WeakPolarHBondContact O-CB 3.25Å; S130-A133 PolarHBondContact O-N 3.3Å; S130-E134 PolarHBondContact O-N 2.96Å; S130-E134 VanDerWaalsContact O-N 3.1Å
131V96.6Very high94.2Very high26 Ų2677.5 Ų77.516%0.15837%0.368CS..Hα-helixtrans-61.7-39.4179.3-179.90000111.1L94 E127 A133 E134 I135L94-V131 HydrophobicContact CB-CG1 3.82Å; E127-V131 WeakPolarHBondContact O-CG2 3.48Å; E127-V131 PolarHBondContact O-N 3.04Å; V131-A133 VanDerWaalsContact C-N 3.29Å; V131-A133 PolarHBondContact O-N 2.9Å; V131-E134 PolarHBondContact O-N 3.27Å; V131-I135 HydrophobicContact CG1-CD1 4.04Å; V131-I135 VanDerWaalsContact O-CG1 3.32Å; V131-I135 WeakPolarHBondContact O-CG1 3.34Å; V131-I135 PolarHBondContact O-N 3.04Å
132A97.2Very high94.2Very high0 Ų071.5 Ų71.50%035%0.345CS..Hα-helixtrans-60.5-36.6173.300000112.7I116 L119 T120 V128 S130 V136I116-A132 HydrophobicContact CG2-CB 3.75Å; L119-A132 HydrophobicContact CB-CB 3.98Å; T120-A132 HydrophobicContact CG2-CB 3.86Å; V128-A132 WeakPolarHBondContact O-CB 3.49Å; V128-A132 PolarHBondContact O-N 3.23Å; S130-A132 VanDerWaalsContact C-N 3.31Å; S130-A132 PolarHBondContact O-N 3.33Å; A132-V136 WeakPolarHBondContact O-CB 3.44Å; A132-V136 WeakPolarHBondContact O-CG2 3.31Å; A132-V136 PolarHBondContact O-N 3.24Å
133A96.7Very high94.3Very high48 Ų4865 Ų6540%0.39733%0.326SS..Hα-helixtrans-69-37.8177.100000112T120 K129 S130 V131 V136 K137T120-A133 HydrophobicContact CG2-CB 4.2Å; K129-A133 WeakPolarHBondContact O-CB 3.26Å; K129-A133 PolarHBondContact O-N 3.48Å; S130-A133 WeakPolarHBondContact O-CA 3.47Å; S130-A133 WeakPolarHBondContact O-CB 3.25Å; S130-A133 PolarHBondContact O-N 3.3Å; V131-A133 VanDerWaalsContact C-N 3.29Å; V131-A133 PolarHBondContact O-N 2.9Å; A133-V136 PolarHBondContact O-N 3.26Å; A133-K137 WeakPolarHBondContact O-CB 3.27Å; A133-K137 PolarHBondContact O-N 3.31Å
134E96.7Very high94.3Very high107 Ų10767.3 Ų67.350%0.534%0.342SS..Hα-helixtrans-65-44.7173.7-64.2-161.6148.200112.4L98 S130 V131 V136 K137 K138L98-E134 HydrophobicContact CD1-CB 4.16Å; S130-E134 PolarHBondContact O-N 2.96Å; S130-E134 VanDerWaalsContact O-N 3.1Å; V131-E134 PolarHBondContact O-N 3.27Å; E134-V136 PolarHBondContact O-N 2.89Å; E134-K137 WeakPolarHBondContact O-CB 3.37Å; E134-K137 PolarHBondContact O-N 2.9Å; E134-K138 PolarHBondContact O-N 3.28Å
135I96.6Very high94.2Very high0 Ų062.3 Ų62.30%032%0.319CS..Hα-helixtrans-58.6-48.5174.9-65.2161.7000110.3L94 L98 I116 V131 K137 K138 W139L94-I135 HydrophobicContact CB-CD1 4.02Å; L94-I135 HydrophobicContact CD2-CD1 3.7Å; L94-I135 HydrophobicContact CG-CD1 4.44Å; L94-I135 WeakPolarHBondContact O-CD1 3.26Å; L98-I135 HydrophobicContact CB-CD1 4.48Å; L98-I135 HydrophobicContact CB-CG1 3.92Å; L98-I135 HydrophobicContact CD1-CG1 3.97Å; I116-I135 HydrophobicContact CD1-CD1 4.47Å; I116-I135 HydrophobicContact CD1-CG2 4.25Å; I116-I135 HydrophobicContact CG2-CB 4.25Å; I116-I135 HydrophobicContact CG2-CD1 4.35Å; I116-I135 HydrophobicContact CG2-CG2 4.14Å; V131-I135 HydrophobicContact CG1-CD1 4.04Å; V131-I135 VanDerWaalsContact O-CG1 3.32Å; V131-I135 WeakPolarHBondContact O-CG1 3.34Å; V131-I135 PolarHBondContact O-N 3.04Å; I135-K137 VanDerWaalsContact C-N 3.28Å; I135-K137 PolarHBondContact O-N 3.18Å; I135-K138 PolarHBondContact O-N 3.48Å; I135-W139 HydrophobicContact CG2-CD2 3.61Å; I135-W139 VanDerWaalsContact CG2-CE2 3.46Å; I135-W139 HydrophobicContact CG2-CE3 3.78Å; I135-W139 HydrophobicContact CG2-CG 4.33Å; I135-W139 HydrophobicContact CG2-CH2 3.76Å; I135-W139 HydrophobicContact CG2-CZ2 3.55Å; I135-W139 HydrophobicContact CG2-CZ3 3.85Å; I135-W139 WeakPolarHBondContact O-CB 3.5Å; I135-W139 PolarHBondContact O-N 2.75Å
136V95.9Very high93.8Very high13 Ų1361.8 Ų61.88%0.07932%0.318CS..Hα-helixtrans-63.1-33.4178.9167.30000112I116 N117 T120 A132 A133 E134 K140I116-V136 HydrophobicContact CG2-CG2 4.16Å; N117-V136 HydrophobicContact CB-CG2 4.01Å; T120-V136 HydrophobicContact CG2-CB 4.47Å; T120-V136 HydrophobicContact CG2-CG2 4.04Å; A132-V136 WeakPolarHBondContact O-CB 3.44Å; A132-V136 WeakPolarHBondContact O-CG2 3.31Å; A132-V136 PolarHBondContact O-N 3.24Å; A133-V136 PolarHBondContact O-N 3.26Å; E134-V136 PolarHBondContact O-N 2.89Å; V136-K140 HydrophobicContact CG1-CD 4.07Å; V136-K140 VanDerWaalsContact CG1-CE 3.48Å; V136-K140 VanDerWaalsContact CG1-NZ 3.31Å; V136-K140 WeakPolarHBondContact O-CB 3.03Å; V136-K140 WeakPolarHBondContact O-CD 3.31Å; V136-K140 WeakPolarHBondContact O-CG 3.36Å; V136-K140 PolarHBondContact O-N 3.45Å; V136-K140 VanDerWaalsContact O-N 3.09Å
137K95.4Very high93.1Very high133 Ų13359.4 Ų59.458%0.57832%0.315SS*.Hα-helixtrans-65.9-54.1171.7-179.7-171.7170.4-166.40111.1A133 E134 I135 W139 K140 E141A133-K137 WeakPolarHBondContact O-CB 3.27Å; A133-K137 PolarHBondContact O-N 3.31Å; E134-K137 WeakPolarHBondContact O-CB 3.37Å; E134-K137 PolarHBondContact O-N 2.9Å; I135-K137 VanDerWaalsContact C-N 3.28Å; I135-K137 PolarHBondContact O-N 3.18Å; K137-W139 VanDerWaalsContact C-N 3.3Å; K137-W139 PolarHBondContact O-N 3.18Å; K137-K140 PolarHBondContact O-N 3.07Å; K137-K140 VanDerWaalsContact O-N 3.13Å; K137-E141 WeakPolarHBondContact CE-OE1 3.45Å; K137-E141 WeakPolarHBondContact CG-OE1 3.39Å; K137-E141 WeakPolarHBondContact O-CG 3.34Å; K137-E141 PolarHBondContact O-N 3.26Å
138K94.5Very high92.1Very high77 Ų7760.9 Ų60.934%0.33532%0.316SS..Hα-helixtrans-54.6-43.9178.3-176.2175.5173.5-1790111.5L98 L99 E134 I135 E141 V142L98-K138 HydrophobicContact CD1-CD 4.35Å; L98-K138 PolarHBondContact O-NZ 3.26Å; L99-K138 PolarHBondContact O-NZ 2.94Å; E134-K138 PolarHBondContact O-N 3.28Å; I135-K138 PolarHBondContact O-N 3.48Å; K138-E141 PolarHBondContact O-N 2.89Å; K138-V142 WeakPolarHBondContact O-CG2 3.26Å; K138-V142 PolarHBondContact O-N 3.29Å; K138-V142 VanDerWaalsContact O-N 3.1Å
139W95.1Very high90.6Very high9 Ų966.7 Ų66.73%0.03434%0.342CS..Hα-helixtrans-70.7-35.4179-66.6-7.2000113.4W71 Y97 V102 L107 P113 I116 I135 K137 E141 V142 I143W71-W139 AromaticContact CH2-CH2 3.97Å; W71-W139 HydrophobicContact CH2-CH2 3.97Å; W71-W139 HydrophobicContact CH2-CZ2 4.04Å; Y97-W139 AromaticContact CD1-CH2 3.99Å; Y97-W139 HydrophobicContact CD1-CH2 3.99Å; Y97-W139 HydrophobicContact CD1-CZ2 4.01Å; Y97-W139 HydrophobicContact CE1-CH2 4.46Å; V102-W139 HydrophobicContact CG2-CZ2 4.05Å; L107-W139 HydrophobicContact CD1-CB 4Å; L107-W139 HydrophobicContact CD1-CG 4.26Å; L107-W139 HydrophobicContact CD2-CB 4.1Å; L107-W139 HydrophobicContact CD2-CD2 3.41Å; L107-W139 VanDerWaalsContact CD2-CD2 3.41Å; L107-W139 HydrophobicContact CD2-CE3 3.57Å; L107-W139 HydrophobicContact CD2-CG 3.68Å; L107-W139 HydrophobicContact CD2-CH2 4.5Å; L107-W139 HydrophobicContact CD2-CZ2 4.4Å; L107-W139 HydrophobicContact CD2-CZ3 4.12Å; P113-W139 HydrophobicContact CB-CE3 4.07Å; P113-W139 HydrophobicContact CB-CZ3 4.08Å; P113-W139 HydrophobicContact CG-CE3 4.13Å; P113-W139 HydrophobicContact CG-CZ3 3.96Å; I116-W139 HydrophobicContact CD1-CH2 3.66Å; I116-W139 HydrophobicContact CD1-CZ3 3.92Å; I135-W139 HydrophobicContact CG2-CD2 3.61Å; I135-W139 VanDerWaalsContact CG2-CE2 3.46Å; I135-W139 HydrophobicContact CG2-CE3 3.78Å; I135-W139 HydrophobicContact CG2-CG 4.33Å; I135-W139 HydrophobicContact CG2-CH2 3.76Å; I135-W139 HydrophobicContact CG2-CZ2 3.55Å; I135-W139 HydrophobicContact CG2-CZ3 3.85Å; I135-W139 WeakPolarHBondContact O-CB 3.5Å; I135-W139 PolarHBondContact O-N 2.75Å; K137-W139 VanDerWaalsContact C-N 3.3Å; K137-W139 PolarHBondContact O-N 3.18Å; W139-E141 VanDerWaalsContact C-N 3.3Å; W139-E141 PolarHBondContact O-N 3.12Å; W139-V142 PolarHBondContact O-N 3.39Å; W139-I143 WeakPolarHBondContact O-CD1 3.43Å; W139-I143 VanDerWaalsContact O-CG1 3.3Å; W139-I143 WeakPolarHBondContact O-CG1 3.4Å; W139-I143 PolarHBondContact O-N 3.17Å
140K93.7Very high88.9Confident122 Ų12269 Ų6953%0.5336%0.357SS..Hα-helixtrans-63.1-36.1170.5-76.9166.7-177167.70112.1V136 K137 S144V136-K140 HydrophobicContact CG1-CD 4.07Å; V136-K140 VanDerWaalsContact CG1-CE 3.48Å; V136-K140 VanDerWaalsContact CG1-NZ 3.31Å; V136-K140 WeakPolarHBondContact O-CB 3.03Å; V136-K140 WeakPolarHBondContact O-CD 3.31Å; V136-K140 WeakPolarHBondContact O-CG 3.36Å; V136-K140 PolarHBondContact O-N 3.45Å; V136-K140 VanDerWaalsContact O-N 3.09Å; K137-K140 PolarHBondContact O-N 3.07Å; K137-K140 VanDerWaalsContact O-N 3.13Å; K140-S144 VanDerWaalsContact O-CB 3.27Å; K140-S144 WeakPolarHBondContact O-CB 3.42Å; K140-S144 PolarHBondContact O-N 2.96Å; K140-S144 PolarHBondContact O-OG 3.29Å
141E92.9Very high87.2Confident102 Ų10270.2 Ų70.248%0.47736%0.362SS..Hα-helixtrans-68.2-37.3176.1-70.7170.4-166.300112.2K137 K138 W139 S145K137-E141 WeakPolarHBondContact CE-OE1 3.45Å; K137-E141 WeakPolarHBondContact CG-OE1 3.39Å; K137-E141 WeakPolarHBondContact O-CG 3.34Å; K137-E141 PolarHBondContact O-N 3.26Å; K138-E141 PolarHBondContact O-N 2.89Å; W139-E141 VanDerWaalsContact C-N 3.3Å; W139-E141 PolarHBondContact O-N 3.12Å; E141-S145 WeakPolarHBondContact O-CB 3.48Å; E141-S145 PolarHBondContact O-N 2.87Å; E141-S145 PolarHBondContact O-OG 3.1Å
142V91.1Very high85.3Confident44 Ų4471.6 Ų71.627%0.26737%0.372SS..Hα-helixtrans-61.8-54.4171.3172.20000111.2L107 K138 W139 S144 S145 D146L107-V142 HydrophobicContact CD1-CG1 4.43Å; K138-V142 WeakPolarHBondContact O-CG2 3.26Å; K138-V142 PolarHBondContact O-N 3.29Å; K138-V142 VanDerWaalsContact O-N 3.1Å; W139-V142 PolarHBondContact O-N 3.39Å; V142-S144 VanDerWaalsContact C-N 3.28Å; V142-S144 PolarHBondContact O-N 2.87Å; V142-S145 WeakPolarHBondContact O-CB 3.39Å; V142-S145 PolarHBondContact O-N 3.31Å; V142-D146 PolarHBondContact O-N 2.98Å
143I90.7Very high83.1Confident79 Ų7975.9 Ų75.941%0.40540%0.395SS..Hα-helixtrans-57.1-42.7179.3-63.6161.5000111L104 L107 W139 S145 S147L104-I143 HydrophobicContact CD1-CG1 3.94Å; L107-I143 HydrophobicContact CD1-CD1 4.09Å; L107-I143 HydrophobicContact CD1-CG1 3.87Å; W139-I143 WeakPolarHBondContact O-CD1 3.43Å; W139-I143 VanDerWaalsContact O-CG1 3.3Å; W139-I143 WeakPolarHBondContact O-CG1 3.4Å; W139-I143 PolarHBondContact O-N 3.17Å; I143-S145 VanDerWaalsContact C-N 3.28Å; I143-S145 PolarHBondContact O-N 3.06Å; I143-S147 WeakPolarHBondContact O-CB 3.31Å; I143-S147 PolarHBondContact O-N 3.35Å
144S91Very high81Confident56 Ų5681 Ų8139%0.39241%0.411SS..Hα-helixtrans-65.3-30.3177-590000112.9K140 V142 R148K140-S144 VanDerWaalsContact O-CB 3.27Å; K140-S144 WeakPolarHBondContact O-CB 3.42Å; K140-S144 PolarHBondContact O-N 2.96Å; K140-S144 PolarHBondContact O-OG 3.29Å; V142-S144 VanDerWaalsContact C-N 3.28Å; V142-S144 PolarHBondContact O-N 2.87Å; S144-R148 WeakPolarHBondContact O-CG 3.35Å; S144-R148 PolarHBondContact O-N 3.48Å; S144-R148 PolarHBondContact O-NE 3.24Å; S144-R148 VanDerWaalsContact O-NE 3.08Å
145S86.7Confident78.9Confident47 Ų4780.7 Ų80.733%0.32942%0.416SS..Hα-helixtrans-79.5-41.8-178.7-61.10000112.4E141 V142 I143 R148 Q149E141-S145 WeakPolarHBondContact O-CB 3.48Å; E141-S145 PolarHBondContact O-N 2.87Å; E141-S145 PolarHBondContact O-OG 3.1Å; V142-S145 WeakPolarHBondContact O-CB 3.39Å; V142-S145 PolarHBondContact O-N 3.31Å; I143-S145 VanDerWaalsContact C-N 3.28Å; I143-S145 PolarHBondContact O-N 3.06Å; S145-R148 WeakPolarHBondContact O-CB 3.45Å; S145-R148 PolarHBondContact O-N 3.49Å; S145-R148 PolarHBondContact OG-NH2 3.1Å; S145-Q149 PolarHBondContact O-N 3.25Å; S145-Q149 VanDerWaalsContact O-N 3.13Å
146D83.2Confident76.6Confident53 Ų5387.4 Ų87.428%0.28345%0.445SS..Hα-helixtrans-64.5-44.5177.5-160.57.9000111.4L104 V142 R148 Q149 L150L104-D146 VanDerWaalsContact CB-OD2 3.27Å; L104-D146 WeakPolarHBondContact CB-OD2 3.41Å; L104-D146 HydrophobicContact CD2-CB 4.5Å; L104-D146 WeakPolarHBondContact CD2-OD2 3.29Å; V142-D146 PolarHBondContact O-N 2.98Å; D146-R148 PolarHBondContact O-N 3.3Å; D146-Q149 WeakPolarHBondContact O-CB 3.23Å; D146-Q149 PolarHBondContact O-N 2.93Å; D146-L150 PolarHBondContact O-N 3.4Å; D146-L150 VanDerWaalsContact O-N 3.11Å
147S78.2Confident74.4Confident71 Ų7198 Ų9850%0.49748%0.484SS..Hα-helixtrans-53-39.2171.6-176.30000113I143 V151I143-S147 WeakPolarHBondContact O-CB 3.31Å; I143-S147 PolarHBondContact O-N 3.35Å; S147-V151 WeakPolarHBondContact O-CG2 3.42Å; S147-V151 PolarHBondContact O-N 3.11Å
148R74.2Confident71.9Confident154 Ų154101 Ų10158%0.58150%0.497SS*.Hα-helixtrans-69.3-34.4174.8-73.2177.9-68-133.72.3113.1S144 S145 D146 S152S144-R148 WeakPolarHBondContact O-CG 3.35Å; S144-R148 PolarHBondContact O-N 3.48Å; S144-R148 PolarHBondContact O-NE 3.24Å; S144-R148 VanDerWaalsContact O-NE 3.08Å; S145-R148 WeakPolarHBondContact O-CB 3.45Å; S145-R148 PolarHBondContact O-N 3.49Å; S145-R148 PolarHBondContact OG-NH2 3.1Å; D146-R148 PolarHBondContact O-N 3.3Å; R148-S152 WeakPolarHBondContact O-CB 3.42Å; R148-S152 PolarHBondContact O-N 3.43Å
149Q64.7Low69.2Low121 Ų121106.6 Ų106.657%0.56552%0.521SS*.Hα-helixtrans-66.9-43.5177-65.9-165.226.200111.7S145 D146 V151 S152 N153S145-Q149 PolarHBondContact O-N 3.25Å; S145-Q149 VanDerWaalsContact O-N 3.13Å; D146-Q149 WeakPolarHBondContact O-CB 3.23Å; D146-Q149 PolarHBondContact O-N 2.93Å; Q149-V151 VanDerWaalsContact C-N 3.31Å; Q149-V151 PolarHBondContact O-N 3Å; Q149-S152 PolarHBondContact O-N 3.31Å; Q149-S152 VanDerWaalsContact O-N 3.16Å; Q149-N153 WeakPolarHBondContact O-CB 3.29Å; Q149-N153 VanDerWaalsContact O-CG 3.3Å; Q149-N153 PolarHBondContact O-N 3.06Å; Q149-N153 PolarHBondContact O-ND2 3.47Å
150L60.5Low66.7Low116 Ų116110.2 Ų110.261%0.60755%0.553SS**Hα-helixtrans-56.5-44.2176.3-65175.9000111.9D146 H154D146-L150 PolarHBondContact O-N 3.4Å; D146-L150 VanDerWaalsContact O-N 3.11Å; L150-H154 PolarHBondContact O-N 3.21Å
151V60.4Low64.2Low96 Ų96113.2 Ų113.258%0.58257%0.569SS**Hα-helixtrans-66.6-43.1175.81780000111.8S147 Q149 N153 H154 V155S147-V151 WeakPolarHBondContact O-CG2 3.42Å; S147-V151 PolarHBondContact O-N 3.11Å; Q149-V151 VanDerWaalsContact C-N 3.31Å; Q149-V151 PolarHBondContact O-N 3Å; V151-N153 PolarHBondContact O-N 3.18Å; V151-H154 PolarHBondContact O-N 2.9Å; V151-V155 PolarHBondContact O-N 3.04Å
152S56.9Low61.5Low55 Ų55114.2 Ų114.239%0.38558%0.583SS.*Hα-helixtrans-62.6-41.5179.7-163.80000112.5R148 Q149 H154 V155 K156R148-S152 WeakPolarHBondContact O-CB 3.42Å; R148-S152 PolarHBondContact O-N 3.43Å; Q149-S152 PolarHBondContact O-N 3.31Å; Q149-S152 VanDerWaalsContact O-N 3.16Å; S152-H154 VanDerWaalsContact C-N 3.31Å; S152-H154 PolarHBondContact O-N 3.41Å; S152-V155 PolarHBondContact O-N 2.93Å; S152-V155 VanDerWaalsContact O-N 3.15Å; S152-K156 PolarHBondContact O-N 2.92Å
153N50.8Low59.1Low90 Ų90121.2 Ų121.248%0.48161%0.612SS.*Hα-helixtrans-64.5-35.7178.3-70.9-22.2000112.1Q149 V151 V155 K156 R157Q149-N153 WeakPolarHBondContact O-CB 3.29Å; Q149-N153 VanDerWaalsContact O-CG 3.3Å; Q149-N153 PolarHBondContact O-N 3.06Å; Q149-N153 PolarHBondContact O-ND2 3.47Å; V151-N153 PolarHBondContact O-N 3.18Å; N153-V155 VanDerWaalsContact C-N 3.31Å; N153-V155 PolarHBondContact O-N 2.89Å; N153-K156 PolarHBondContact O-N 3.06Å; N153-R157 PolarHBondContact O-N 3.34Å; N153-R157 VanDerWaalsContact O-N 3.07Å
154H51.5Low56.5Low155 Ų155123.8 Ų123.872%0.71863%0.632SS**Hα-helixtrans-70.3-24.7175.8-155.3-44.8000113.2L150 V151 S152L150-H154 PolarHBondContact O-N 3.21Å; V151-H154 PolarHBondContact O-N 2.9Å; S152-H154 VanDerWaalsContact C-N 3.31Å; S152-H154 PolarHBondContact O-N 3.41Å
155V54Low54.2Low102 Ų102130.6 Ų130.662%0.61865%0.654SS**Hα-helixtrans-80.5-44.5172.61770000111.2V151 S152 N153 R157 K158V151-V155 PolarHBondContact O-N 3.04Å; S152-V155 PolarHBondContact O-N 2.93Å; S152-V155 VanDerWaalsContact O-N 3.15Å; N153-V155 VanDerWaalsContact C-N 3.31Å; N153-V155 PolarHBondContact O-N 2.89Å; V155-R157 PolarHBondContact O-N 3.29Å; V155-K158 PolarHBondContact O-N 3.23Å
156K47.7Very low52Low141 Ų141134.9 Ų134.961%0.61368%0.679SS**Hα-helixtrans-63.7-38.3179.8-72.9-177.2178.8-179.50113S152 N153 K158 K159S152-K156 PolarHBondContact O-N 2.92Å; N153-K156 PolarHBondContact O-N 3.06Å; K156-K158 PolarHBondContact O-N 3.23Å; K156-K159 CarbonylContact O-C 3.58Å; K156-K159 PolarHBondContact O-N 2.91Å
157R49.1Very low49.9Very low234 Ų234139.7 Ų139.788%0.88370%0.703SS**THydrogen-bonded Turntrans-62.8-10.2175.7-95.2-176161.7173.4-5.5115N153 V155N153-R157 PolarHBondContact O-N 3.34Å; N153-R157 VanDerWaalsContact O-N 3.07Å; V155-R157 PolarHBondContact O-N 3.29Å
158K42.7Very low48.1Very low197 Ų197141 Ų14186%0.85771%0.712SS**THydrogen-bonded Turntrans-106.813.1173.5-149.4178.3-179.7178.50113.7V155 K156V155-K158 PolarHBondContact O-N 3.23Å; K156-K158 PolarHBondContact O-N 3.23Å
159K39.3Very low46.4Very low194 Ų194142.1 Ų142.184%0.84372%0.721SS**SBendtrans-146.651.1176.3-160-171.2176.2-176.40111.5K156K156-K159 CarbonylContact O-C 3.58Å; K156-K159 PolarHBondContact O-N 2.91Å
160A40.7Very low45.2Very low86 Ų86142.4 Ų142.471%0.71173%0.727SS**  trans-139.513.3-17900000113.4
161E41.5Very low43.9Very low185 Ų185141.3 Ų141.386%0.86473%0.734SS**SBendtrans-115.648.3-177.7-164.9172.4-158.600110.2
162T36.2Very low43.1Very low123 Ų123145.7 Ų145.776%0.75575%0.748SS**SBendtrans-162.7138.3171.7-11.50000110.1
163E42.3Very low41.9Very low190 Ų190147.8 Ų147.889%0.88876%0.763SS**  trans65.5103.2164.3-57.6-175.8151.800118.3
164T35.4Very low41.3Very low134 Ų134151.1 Ų151.182%0.82278%0.776SS**  trans-100.9160.4162.228.70000110.9
165K42.4Very low40.4Very low198 Ų198150.8 Ų150.886%0.86177%0.774SS**  trans79.7143.5-173.5-50171.2-179.1175.50112.5
166T40Very low39.6Very low138 Ų138152.3 Ų152.385%0.84778%0.784SS**  cis-141.8-174.79.5-22.90000111.6
167I39.4Very low39.2Very low153 Ų153152.9 Ų152.979%0.78579%0.793SS**  trans-118.7141.4-161.2-46.6169.4000111.8
168S39.9Very low38.5Very low98 Ų98152 Ų15269%0.68579%0.789SS**  trans141.6132.5131.8-640000116.1
169K39.7Very low38.2Very low178 Ų178148.4 Ų148.477%0.77478%0.78SS**  trans57.9156.5140.8-71.5178.9156.6-90.50119.5
170D38.1Very low38.3Very low127 Ų127146 Ų14668%0.67977%0.772SS**  cis-148.7-177.8-13.2-116.8-27.7000109.9
171A35.2Very low38.3Very low93 Ų93148.5 Ų148.577%0.76977%0.766SS**  trans-60156.5-17700000116
172Q42.1Very low38.4Very low188 Ų188147.1 Ų147.188%0.87976%0.757SS**  178.3160.2103-162.3152.724.600112.9
173S33.1Very low38.5Very low99 Ų99151.6 Ų151.669%0.69276%0.76SS**  trans-77.1155.5-175.753.30000116.3
174H37.4Very low38.6Very low161 Ų161153.2 Ų153.275%0.74576%0.758SS**  -169.6162.8113.6-157.1-96000113
175E32Very low38.9Very low147 Ų147151.7 Ų151.769%0.68775%0.754SS**  trans-65.9157.1165-57-177.186.600112.4
176T36.7Very low39Very low134 Ų134148.7 Ų148.782%0.82275%0.752SS**  -172.1168.189.926.20000114
177L39.2Very low38.8Very low153 Ų153147.1 Ų147.180%0.80174%0.742SS**  trans-76.4162.7-174.8-62158.2000114.8
178R36.2Very low39.3Very low215 Ų215150 Ų15081%0.81175%0.749SS**  trans121.2117.3141-69.4-176.7176.7-91.84.4119.1
179D35.9Very low39.7Very low123 Ų123152.3 Ų152.366%0.65875%0.752SS**  75110.3126.9-69.2-52.9000123.1
180E40.5Very low39.9Very low144 Ų144149.2 Ų149.267%0.67375%0.75SS**  82129.2124.9-136-169.826.600121.4
181K41.7Very low40.5Very low137 Ų137149 Ų14960%0.59676%0.756SS**  139.6108.1106-143.5154.9-146.9151.10116.6
182K42.1Very low40.9Very low156 Ų156151.3 Ų151.368%0.67876%0.755SS**  trans80.1122.9146.6-71.6170.2-170.21700123.1
183R40Very low40.8Very low217 Ų217148.4 Ų148.482%0.81975%0.745SS**  trans80.7150.6136.5-68.3172174.7-169.9-3.2117.7
184R42.7Very low41.2Very low224 Ų224150.1 Ų150.185%0.84574%0.744SS**  cis-151.9134.96.1-139.8-171.5-178.2-155.41.3114.6
185S42.1Very low41.7Very low103 Ų103152.9 Ų152.972%0.7275%0.748SS**  trans39.4120.5135.6179.10000122.6
186T45.3Very low42.3Very low134 Ų134152.4 Ų152.482%0.82276%0.756SS**  -161.9160.2105.8-165.60000111.8
187V36.3Very low42.5Very low105 Ų105151 Ų15164%0.63676%0.758SS**  trans-140.6149.2-166.7169.60000111.6I189V187-I189 HydrophobicContact CG1-CD1 3.92Å; V187-I189 HydrophobicContact CG1-CG1 3.77Å
188K49.6Very low42.5Very low215 Ų215147.5 Ų147.594%0.93576%0.758SS**  trans-135.5144.8157.2-71.1-166.8175.1-175.40110.5
189I47.4Very low42.9Very low145 Ų145145.2 Ų145.274%0.74476%0.759SS**  trans-123.7147.8-163.5-76.5158.5000110.4V187V187-I189 HydrophobicContact CG1-CD1 3.92Å; V187-I189 HydrophobicContact CG1-CG1 3.77Å
190P44.4Very low43.3Very low113 Ų113146.7 Ų146.773%0.73476%0.762SS**  trans-86.2156.317534.9-36.6000114.1
191P51.6Low43.3Very low124 Ų124146.9 Ų146.981%0.80577%0.767SS**  trans-97.1165.2168.737.6-33.2000112.7
192N42.1Very low43.1Very low140 Ų140146.2 Ų146.275%0.74978%0.775SS**  cis-163.7157.2-24.1-174.620.9000109.4
193N40.6Very low42.9Very low127 Ų127144.3 Ų144.368%0.67978%0.778SS**  trans-43.9160.5-176.2-55.5-29.3000119.4
194M42Very low42.8Very low136 Ų136139 Ų13967%0.6778%0.78SS**  167.7140.6119.9-83.4-81.796.600109
195R46.4Very low42.3Very low218 Ų218137.7 Ų137.782%0.82378%0.784SS**  cis-152.1178.6-0.9-149.6166.5-166136.6-0110.3
196T45.2Very low42Very low138 Ų138137.5 Ų137.585%0.84779%0.789SS**  trans-130.3144.8-154.9-33.70000115.6
197A41.6Very low41.5Very low105 Ų105139.6 Ų139.687%0.86879%0.789SS**  trans175.6147.9144.400000106.9
198G39.7Very low41.4Very low78 Ų78140.1 Ų140.180%0.80479%0.794SS**  cis149148.810.800000105.9
199M43.9Very low40.9Very low168 Ų168140 Ų14083%0.82879%0.794SS**  cis-166.4151.313.6-174.9168.877.400109.3
200E43.9Very low40.2Very low154 Ų154138.5 Ų138.572%0.7280%0.796SS**  trans46.8119.7164.4-99.914810400120.1
201D40.1Very low40Very low147 Ų147143.8 Ų143.879%0.78680%0.802SS**  72.3146.370.5-87.2-64.5000114.8
202T39.2Very low39.5Very low123 Ų123141.5 Ų141.576%0.75579%0.789SS**  cis-155.5174.1-5.8-135.40000109.7
203P37.3Very low39.4Very low116 Ų116141.9 Ų141.975%0.75379%0.791SS**  trans-105170.4-149.640.6-40.5000117.9
204A36.7Very low39.4Very low105 Ų105142.8 Ų142.887%0.86879%0.794SS**  trans-165.7161.6150.400000113.9
205Q32.7Very low39.3Very low198 Ų198145.4 Ų145.493%0.92580%0.802SS**  trans-76.6151.6178.6-57.4163.6-35.800113.2
206A35Very low39.1Very low98 Ų98138.7 Ų138.781%0.8179%0.793SS**  178.4137.411100000115.7
207Q35Very low38.9Very low179 Ų179141.8 Ų141.884%0.83680%0.795SS**  trans3.1139.5155.1-67.5-69.5-39.700122
208P36.1Very low38.9Very low115 Ų115144.8 Ų144.875%0.74779%0.788SS**  trans-86.4153.617936.5-36.1000114.4
209K37.2Very low38.9Very low214 Ų214147.8 Ų147.893%0.9379%0.786SS**  trans-143139162.1-68.9-171.9179.6175.60111.5
210S33.8Very low38.8Very low113 Ų113146.8 Ų146.879%0.7978%0.777SS**  trans-96.1154.4176.2166.20000111.4
211R40.1Very low38.8Very low223 Ų223145.4 Ų145.484%0.84277%0.773SS**  trans177.7143.5130.1-100.5-177.395.11033.4115.1
212S41.1Very low38.7Very low76 Ų76144.9 Ų144.953%0.53177%0.766SS.*  trans42.9121148.255.50000120.1
213D39.2Very low38.8Very low149 Ų149146.2 Ų146.280%0.79776%0.764SS**  66.5131.968.2-67.6-60.2000115
214I40.3Very low39Very low145 Ų145146.2 Ų146.274%0.74476%0.757SS**  173.5120.4122.7-88.7156.6000112.7
215F40.5Very low39Very low192 Ų192147.6 Ų147.684%0.84275%0.75SS**  trans28.3158.2142.7-61.3-99.1000123.4
216A41.7Very low39.2Very low77 Ų77142.5 Ų142.564%0.63674%0.736SS**  cis175.5-169.2-2000000109.8
217K42Very low39.4Very low203 Ų203145.2 Ų145.288%0.88374%0.736SS**  trans96.9147.9167.9-63.5172.6-179169.90116.9
218K42.2Very low39.5Very low168 Ų168142.3 Ų142.373%0.7373%0.731SS**  cis-174.3122-13.7169.6-169.8175.5-174.60113.7
219N38.5Very low39.5Very low141 Ų141141.7 Ų141.775%0.75473%0.729SS**  trans53.2176.8145.9-40.89.6000120.1
220K41.2Very low39.5Very low146 Ų146139.9 Ų139.964%0.63572%0.724SS**  cis-162.1172.42.6-155.3-168.4162.7-95.70111.8E222K220-E222 WeakPolarHBondContact CE-OE1 3.47Å; K220-E222 VanDerWaalsContact NZ-CD 3.34Å; K220-E222 IonicContact NZ-OE1 3.71Å; K220-E222 PolarHBondContact NZ-OE1 3.18Å; K220-E222 IonicContact NZ-OE2 2.74Å; K220-E222 PolarHBondContact NZ-OE2 3.05Å
221I44Very low39.6Very low126 Ų126142.7 Ų142.765%0.64673%0.729SS**  trans90.2110.1156.7-65.2157000115.5
222E38.7Very low39.5Very low135 Ų135137.8 Ų137.863%0.63173%0.727SS**  81.4148.872.9-69.7140.5-12400112.8K220K220-E222 WeakPolarHBondContact CE-OE1 3.47Å; K220-E222 VanDerWaalsContact NZ-CD 3.34Å; K220-E222 IonicContact NZ-OE1 3.71Å; K220-E222 PolarHBondContact NZ-OE1 3.18Å; K220-E222 IonicContact NZ-OE2 2.74Å; K220-E222 PolarHBondContact NZ-OE2 3.05Å
223H42.1Very low39.4Very low152 Ų152142.2 Ų142.270%0.70474%0.742SS**  cis-168.7141.534.5-163.7-90.9000113.1
224D40.3Very low39.4Very low115 Ų115144 Ų14462%0.61575%0.746SS**  trans50.3162.9155-7117.4000123.3
225N37.2Very low39.6Very low135 Ų135140.7 Ų140.772%0.72274%0.736SS**  cis-170-177.9-11.3-101.9-22.2000108.5
226S36.7Very low39.5Very low90 Ų90140 Ų14063%0.62973%0.733SS**  cis179.1165.3-40.7-170.40000110.8
227L38.6Very low39.6Very low156 Ų156144.3 Ų144.382%0.81774%0.739SS**  trans68.1145.2174.6-55.1170.3000117.1
228T37.1Very low39.9Very low117 Ų117141.2 Ų141.272%0.71873%0.728SS**  cis-156.9157.31.7-9.30000113.8
229S36.5Very low40.2Very low103 Ų103142.2 Ų142.272%0.7273%0.732SS**  trans71.1155.8149.854.60000122.7
230E38.1Very low40.7Very low175 Ų175141.9 Ų141.982%0.81873%0.729SS**  trans70.6134.6-177.1-57.9-50.8115.900118.4
231L35.3Very low40.7Very low173 Ų173140.3 Ų140.391%0.90673%0.732SS**  trans-120108.8-169.6-72.7172.1000112.9
232P38.6Very low40.7Very low120 Ų120139.9 Ų139.978%0.77974%0.735SS**  trans-89.5147.2159.2-10.329.3000111.6E234P232-E234 PolarHBondContact O-N 3.06Å
233I37.6Very low41.2Very low169 Ų169138.4 Ų138.487%0.86774%0.736SS**  trans-62.3128177.3-64.5160.4000109.9S235I233-S235 PolarHBondContact O-N 3.4Å
234E39.6Very low41.3Very low185 Ų185137 Ų13786%0.86474%0.74SS**  trans-68.494-177.1-168.5169.1-156.300111P232 F236P232-E234 PolarHBondContact O-N 3.06Å; E234-F236 PolarHBondContact O-N 2.66Å
235S44.2Very low41.7Very low77 Ų77137.7 Ų137.754%0.53875%0.748SS.*  trans-65.1124.917451.10000109.5I233 H237I233-S235 PolarHBondContact O-N 3.4Å; S235-H237 PolarHBondContact O-N 3.21Å; S235-H237 PolarHBondContact OG-CD2 3.13Å; S235-H237 PolarHBondContact OG-NE2 3.35Å
236F39.7Very low42.3Very low178 Ų178140.6 Ų140.678%0.78176%0.757SS**  trans-7472.9-175.5-159-105.4000110.9E234 Q238E234-F236 PolarHBondContact O-N 2.66Å; F236-Q238 HydrophobicContact CD1-CB 3.89Å; F236-Q238 HydrophobicContact CE1-CB 3.9Å; F236-Q238 HydrophobicContact CE1-CG 4.02Å; F236-Q238 PolarHBondContact O-N 2.88Å
237H43.6Very low42.5Very low166 Ų166141.5 Ų141.577%0.76976%0.764SS**  trans-68.369.7169-77.1-80.9000109.6S235 K239S235-H237 PolarHBondContact O-N 3.21Å; S235-H237 PolarHBondContact OG-CD2 3.13Å; S235-H237 PolarHBondContact OG-NE2 3.35Å; H237-K239 PolarHBondContact O-N 3.44Å
238Q48.3Very low42.8Very low138 Ų138146 Ų14665%0.64577%0.77SS**  trans-59.6110173.3-166.616926.300107.7F236 I240F236-Q238 HydrophobicContact CD1-CB 3.89Å; F236-Q238 HydrophobicContact CE1-CB 3.9Å; F236-Q238 HydrophobicContact CE1-CG 4.02Å; F236-Q238 PolarHBondContact O-N 2.88Å; Q238-I240 WeakPolarHBondContact O-CG1 3.3Å; Q238-I240 PolarHBondContact O-N 2.8Å
239K48Very low43.1Very low189 Ų189149.9 Ų149.982%0.82278%0.777SS**  trans-59.1104.5172.9-86.8-173.7172.4-179.40108.3H237 T241H237-K239 PolarHBondContact O-N 3.44Å; K239-T241 PolarHBondContact O-N 2.88Å
240I49.3Very low43.2Very low135 Ų135154 Ų15469%0.69279%0.785SS**  trans-73.881.5175.6-49.8-176.7000107.7Q238 V242Q238-I240 WeakPolarHBondContact O-CG1 3.3Å; Q238-I240 PolarHBondContact O-N 2.8Å; I240-V242 VanDerWaalsContact C-N 3.26Å; I240-V242 HydrophobicContact CG2-CG2 3.77Å; I240-V242 PolarHBondContact O-N 3.48Å
241T41.8Very low43.5Very low112 Ų112153.1 Ų153.169%0.68778%0.784SS**  trans-70.987.3169.1-54.80000107.9K239 T243K239-T241 PolarHBondContact O-N 2.88Å; T241-T243 HydrophobicContact CG2-CG2 4.21Å; T241-T243 PolarHBondContact O-N 2.76Å
242V44.3Very low43.9Very low117 Ų117152.5 Ų152.571%0.70978%0.776SS**  trans-67.994.2174.7-176.60000108.7I240 P244I240-V242 VanDerWaalsContact C-N 3.26Å; I240-V242 HydrophobicContact CG2-CG2 3.77Å; I240-V242 PolarHBondContact O-N 3.48Å; V242-P244 WeakPolarHBondContact O-CD 3.48Å
243T48.8Very low44.4Very low105 Ų105154.5 Ų154.564%0.64478%0.775SS**  trans-85.2111.9165.951.40000108.8T241 T245T241-T243 HydrophobicContact CG2-CG2 4.21Å; T241-T243 PolarHBondContact O-N 2.76Å; T243-T245 PolarHBondContact O-N 2.98Å; T243-T245 VanDerWaalsContact O-N 3.15Å
244P44.9Very low44.9Very low123 Ų123150.1 Ų150.180%0.79976%0.76SS**  trans-71111.5178.6-15.131.1000109.9V242V242-P244 WeakPolarHBondContact O-CD 3.48Å
245T48Very low45.5Very low129 Ų129146.3 Ų146.379%0.79175%0.754SS**  trans-74.9134168.848.10000109.8T243 S247T243-T245 PolarHBondContact O-N 2.98Å; T243-T245 VanDerWaalsContact O-N 3.15Å; T245-S247 PolarHBondContact O-N 2.7Å
246E48.9Very low46.3Very low195 Ų195147.3 Ų147.391%0.91175%0.753SS**  trans-55.1130.1-172.9-63.1-176.5116.100113.5R248E246-R248 PolarHBondContact O-N 3.14Å
247S42.2Very low47.3Very low110 Ų110145.1 Ų145.177%0.76974%0.743SS**  trans-74.6106176.747.10000111.5T245 K249T245-S247 PolarHBondContact O-N 2.7Å; S247-K249 PolarHBondContact O-N 3.12Å
248R44.6Very low48.5Very low249 Ų249143 Ų14394%0.9474%0.736SS**  trans-63.3134.7160.5-88.3-168.1171.7-162.1-0.2109.4E246E246-R248 PolarHBondContact O-N 3.14Å
249K42.1Very low49.3Very low199 Ų199140.6 Ų140.687%0.86573%0.728SS**SBendtrans-82.5116.8-168.7-58.3167.7-175.4174.60110.6S247S247-K249 PolarHBondContact O-N 3.12Å
250E39.4Very low50Low191 Ų191135.1 Ų135.189%0.89372%0.718SS**  trans165.487.1138.3-93.2-174.4150.800109.8
251I43.8Very low50.4Low156 Ų156134.7 Ų134.780%0.872%0.716SS**  trans-117.3108161.9-58.8179000106.3E253I251-E253 HydrophobicContact CG2-CG 4.11Å
252H45Very low51.5Low159 Ų159134.2 Ų134.274%0.73671%0.713SS**  trans-104.494177.8176.349.4000108.5S254H252-S254 PolarHBondContact O-N 3.02Å
253E48.5Very low52.1Low162 Ų162133.1 Ų133.176%0.75771%0.707SS**  trans-68.5116.7-179.5-62.6-177.1154.800110I251 S255I251-E253 HydrophobicContact CG2-CG 4.11Å; E253-S255 VanDerWaalsContact C-N 3.33Å; E253-S255 PolarHBondContact O-N 2.65Å
254S47.1Very low52.2Low78 Ų78133 Ų13355%0.54571%0.71SS.*  trans-87.662-16367.90000113.7H252 D256 F257H252-S254 PolarHBondContact O-N 3.02Å; S254-D256 PolarHBondContact O-N 3.48Å; S254-D256 VanDerWaalsContact O-N 3.16Å; S254-F257 WeakPolarHBondContact O-CB 3.39Å; S254-F257 PolarHBondContact O-N 3.01Å
255S54Low52.4Low105 Ų105132.7 Ų132.773%0.73471%0.708SS**THydrogen-bonded Turntrans-57.7-21.8167.1-68.30000112.8E253 F257E253-S255 VanDerWaalsContact C-N 3.33Å; E253-S255 PolarHBondContact O-N 2.65Å; S255-F257 VanDerWaalsContact C-N 3.32Å; S255-F257 PolarHBondContact O-N 3.19Å
256D60.3Low52.4Low98 Ų98131.5 Ų131.552%0.52471%0.705SS.*Hα-helixtrans-76.8-7.7173.7-70.8-49.7000114.8S254 I258 N259 A260S254-D256 PolarHBondContact O-N 3.48Å; S254-D256 VanDerWaalsContact O-N 3.16Å; D256-I258 PolarHBondContact O-N 3.01Å; D256-N259 PolarHBondContact O-N 3.35Å; D256-A260 WeakPolarHBondContact O-CB 3.47Å; D256-A260 PolarHBondContact O-N 3.42Å
257F60.3Low52.2Low132 Ų132127.8 Ų127.858%0.57970%0.697SS**Hα-helixtrans-61.8-43.5-175.5-179.7-108.3000112.8S254 S255 A260 L261S254-F257 WeakPolarHBondContact O-CB 3.39Å; S254-F257 PolarHBondContact O-N 3.01Å; S255-F257 VanDerWaalsContact C-N 3.32Å; S255-F257 PolarHBondContact O-N 3.19Å; F257-A260 PolarHBondContact O-N 2.67Å; F257-L261 HydrophobicContact CD1-CD1 4.32Å; F257-L261 HydrophobicContact CE1-CD1 3.82Å; F257-L261 HydrophobicContact CZ-CD1 3.96Å; F257-L261 WeakPolarHBondContact O-CG 3.13Å; F257-L261 PolarHBondContact O-N 3.35Å
258I69.6Low52Low120 Ų120128.4 Ų128.462%0.61570%0.696SS**Hα-helixtrans-71.5-36.4177.4-66.3178.5000110.8D256 A260 L261 T262D256-I258 PolarHBondContact O-N 3.01Å; I258-A260 VanDerWaalsContact C-N 3.32Å; I258-A260 PolarHBondContact O-N 2.89Å; I258-L261 PolarHBondContact O-N 2.87Å; I258-T262 PolarHBondContact O-N 3.15Å; I258-T262 VanDerWaalsContact O-N 3.16Å; I258-T262 PolarHBondContact O-OG1 2.95Å
259N64Low51.8Low89 Ų89122.7 Ų122.748%0.47669%0.688SS.*Hα-helixtrans-65.5-34.1175.6-68-26.3000112.5D256 L261 T262 T263D256-N259 PolarHBondContact O-N 3.35Å; N259-L261 VanDerWaalsContact C-N 3.3Å; N259-L261 PolarHBondContact O-N 3.2Å; N259-T262 PolarHBondContact O-N 2.78Å; N259-T262 PolarHBondContact O-OG1 3.04Å; N259-T263 WeakPolarHBondContact O-CB 3.32Å; N259-T263 PolarHBondContact O-N 2.9Å; N259-T263 PolarHBondContact O-OG1 3.49Å
260A62.9Low51.8Low74 Ų74124.1 Ų124.161%0.61269%0.688SS**Hα-helixtrans-69.9-25.1175.400000113.2D256 F257 I258D256-A260 WeakPolarHBondContact O-CB 3.47Å; D256-A260 PolarHBondContact O-N 3.42Å; F257-A260 PolarHBondContact O-N 2.67Å; I258-A260 VanDerWaalsContact C-N 3.32Å; I258-A260 PolarHBondContact O-N 2.89Å
261L58.5Low51.7Low125 Ų125124.5 Ų124.565%0.65469%0.687SS**Hα-helixtrans-83.4-30.1175.2-67.7173.1000112.8F257 I258 N259F257-L261 HydrophobicContact CD1-CD1 4.32Å; F257-L261 HydrophobicContact CE1-CD1 3.82Å; F257-L261 HydrophobicContact CZ-CD1 3.96Å; F257-L261 WeakPolarHBondContact O-CG 3.13Å; F257-L261 PolarHBondContact O-N 3.35Å; I258-L261 PolarHBondContact O-N 2.87Å; N259-L261 VanDerWaalsContact C-N 3.3Å; N259-L261 PolarHBondContact O-N 3.2Å
262T65.1Low51.4Low102 Ų102126.7 Ų126.763%0.62669%0.691SS**Hα-helixtrans-87.6-24.1178.155.80000113.7I258 N259 S264I258-T262 PolarHBondContact O-N 3.15Å; I258-T262 VanDerWaalsContact O-N 3.16Å; I258-T262 PolarHBondContact O-OG1 2.95Å; N259-T262 PolarHBondContact O-N 2.78Å; N259-T262 PolarHBondContact O-OG1 3.04Å; T262-S264 PolarHBondContact O-N 2.63Å
263T56.3Low51.2Low94 Ų94130.2 Ų130.258%0.57770%0.698SS**SBendtrans-99.479.8-174-47.90000112.5N259 P265N259-T263 WeakPolarHBondContact O-CB 3.32Å; N259-T263 PolarHBondContact O-N 2.9Å; N259-T263 PolarHBondContact O-OG1 3.49Å; T263-P265 WeakPolarHBondContact O-CD 3.42Å
264S50.5Low50.5Low102 Ų102131.6 Ų131.671%0.71370%0.701SS**  trans-59.5116.7178.9-173.20000113T262 C266T262-S264 PolarHBondContact O-N 2.63Å; S264-C266 PolarHBondContact O-N 3.34Å
265P48.5Very low50.5Low117 Ų117135.4 Ų135.476%0.7671%0.714SS**  trans-78.492.2-173.9-16.732.8000113.4T263 P267T263-P265 WeakPolarHBondContact O-CD 3.42Å; P265-P267 WeakPolarHBondContact O-CD 3.47Å
266C48.5Very low49.6Very low105 Ų105135 Ų13571%0.70971%0.711SS**  trans-61.6120.7172.8-75.20000112.1S264 V268S264-C266 PolarHBondContact O-N 3.34Å; C266-V268 PolarHBondContact O-N 3.21Å; C266-V268 VanDerWaalsContact O-N 3.11Å
267P44.9Very low48.6Very low116 Ų116136.5 Ų136.575%0.75373%0.726SS**  trans-70110.4176.327.5-33.3000110.6P265 V269P265-P267 WeakPolarHBondContact O-CD 3.47Å; P267-V269 PolarHBondContact O-N 3.07Å
268V39Very low47.5Very low124 Ų124139 Ų13975%0.75274%0.736SS**  trans-71.189.4-179.3-177.90000110.7C266 R270C266-V268 PolarHBondContact O-N 3.21Å; C266-V268 VanDerWaalsContact O-N 3.11Å; V268-R270 PolarHBondContact O-N 3.04Å
269V38.9Very low46.3Very low128 Ų128139.1 Ų139.178%0.77674%0.737SS**  trans-65.992.3173-178.20000109.5P267 K271P267-V269 PolarHBondContact O-N 3.07Å; V269-K271 VanDerWaalsContact C-N 3.32Å; V269-K271 PolarHBondContact O-N 3.49Å
270R42.3Very low45.1Very low229 Ų229143.5 Ų143.586%0.86476%0.755SS**  trans-64.688.7173.1-82.9-174.5160.2111.7-5.2110.5V268 K272V268-R270 PolarHBondContact O-N 3.04Å; R270-K272 VanDerWaalsContact C-N 3.26Å; R270-K272 PolarHBondContact O-N 3.17Å
271K37.5Very low44Very low200 Ų200145.4 Ų145.487%0.8776%0.761SS**  trans-66.476179-156.5171.9-170.3174.80111.2V269 R273V269-K271 VanDerWaalsContact C-N 3.32Å; V269-K271 PolarHBondContact O-N 3.49Å; K271-R273 PolarHBondContact O-N 3.4Å
272K38.7Very low43.1Very low201 Ų201145.8 Ų145.887%0.87477%0.768SS**PPolyproline II helixtrans-66.4129.5-177.1-156.3175.1-174.3-178.90109.7R270 K274R270-K272 VanDerWaalsContact C-N 3.26Å; R270-K272 PolarHBondContact O-N 3.17Å; K272-K274 PolarHBondContact O-N 3.28Å
273R40.2Very low41.9Very low233 Ų233146.5 Ų146.588%0.87977%0.772SS**PPolyproline II helixtrans-58.2128.5-172.1-71.3172.6165.8156-7111.9K271K271-R273 PolarHBondContact O-N 3.4Å
274K33.6Very low41.2Very low192 Ų192149.1 Ų149.184%0.83578%0.778SS**PPolyproline II helixtrans-75.6129165-172.4176.4-179-178.30108.3K272K272-K274 PolarHBondContact O-N 3.28Å
275I46.3Very low40.6Very low158 Ų158149.8 Ų149.881%0.8178%0.778SS**PPolyproline II helixtrans-99.4135.7173.6-62171.3000107.2
276S36Very low40.1Very low95 Ų95149.4 Ų149.466%0.66477%0.769SS**  trans-121.8132.1-177.9-570000110.5
277P39.9Very low39.6Very low130 Ų130152 Ų15284%0.84478%0.775SS**  trans-84.1135.2167.731-28.7000111.7
278K37Very low39.2Very low184 Ų184151.5 Ų151.580%0.878%0.775SS**  trans-101.5165174.3102.5-179.5-162.3178.20109.1
279I43Very low38.8Very low124 Ų124151 Ų15164%0.63677%0.772SS**  cis-111.2-141.715.1-5.3175.7000110.1
280E40.6Very low38.7Very low180 Ų180149.9 Ų149.984%0.84177%0.77SS**  cis-138146.83.1-77.3-177.7132.100110.7
281P39.8Very low38.4Very low114 Ų114146.3 Ų146.374%0.7476%0.761SS**  trans-123.4161.3175.341.1-30.1000114.5
282V39Very low38.3Very low133 Ų133142.8 Ų142.881%0.80675%0.747SS**  trans-159.9121.9153.3127.60000111.1
283V40.2Very low38.2Very low118 Ų118140.7 Ų140.772%0.71574%0.741SS**  trans61.5107142.8-178.90000119.1
284Q40.8Very low37.9Very low148 Ų148134.8 Ų134.869%0.69273%0.727SS**  75.4147.186-127.9179.6-2500112.8D286Q284-D286 WeakPolarHBondContact CG-OD2 3.5Å; Q284-D286 PolarHBondContact NE2-OD2 2.97Å
285T37.4Very low37.7Very low117 Ų117135.9 Ų135.972%0.71873%0.727SS**  cis-150.9-163.128.5-390000112.4
286D38.4Very low37.2Very low108 Ų108134.5 Ų134.558%0.57873%0.726SS**  -141-174.1-114.6-59.7-48.2000110.5Q284Q284-D286 WeakPolarHBondContact CG-OD2 3.5Å; Q284-D286 PolarHBondContact NE2-OD2 2.97Å
287L38.8Very low37Very low160 Ų160137.7 Ų137.784%0.83873%0.73SS**  trans77.7138.9176.8-81.552.8000116.7
288S36.9Very low37Very low105 Ų105138.8 Ų138.873%0.73473%0.729SS**  cis103.414927.5-71.90000113
289T29.8Very low36.9Very low114 Ų114134.7 Ų134.770%0.69972%0.723SS**  cis-173.4151.4-11.2-90.40000109
290S36.2Very low36.7Very low105 Ų105134.5 Ų134.573%0.73472%0.723SS**  trans68.5160.3161.874.20000118.5
291K36.9Very low36.7Very low153 Ų153133.8 Ų133.867%0.66572%0.72SS**  cis-161.3157.8-6.8-126.4170.1178.2-80.80110.5
292E35.7Very low36.6Very low127 Ų127132.7 Ų132.759%0.59372%0.715SS**  trans39.8121.8141.1-73.7153-15800121.2
293E36.6Very low36.6Very low157 Ų157132 Ų13273%0.73472%0.716SS**  104.2157.8102.2-86-166.8-128.200113.3
294N32.3Very low36.6Very low109 Ų109130.5 Ų130.558%0.58372%0.716SS**  cis-168.7120.2-9.8167.6-21.2000111.7
295Y30.3Very low36.9Very low214 Ų214130.6 Ų130.684%0.83972%0.721SS**  trans59.7166.3155.4-72.5-124.9000123.1
296T34.9Very low37Very low130 Ų130131.5 Ų131.580%0.79872%0.721SS**  trans84.7140.7160.3-30.80000116.4
297E32.1Very low37.2Very low161 Ų161130.6 Ų130.675%0.75272%0.723SS**  cis174.6165.8-31.3-171.4173.5170.100104.8
298L39.8Very low37.4Very low154 Ų154131.8 Ų131.881%0.80672%0.722SS**  trans71.7120.9177.8-47.1175.9000113.6
299S34.7Very low37.5Very low98 Ų98131.4 Ų131.469%0.68572%0.72SS**  97.5114.350-171.20000111.4
300D40Very low37.9Very low119 Ų119132.6 Ų132.664%0.63672%0.721SS**  176141.9117.3-99.419.6000115.7
301Q41.2Very low37.9Very low165 Ų165132.2 Ų132.277%0.77172%0.719SS**  trans56.1153142.9-60.2178.158.100122.4
302S37.6Very low38.2Very low91 Ų91129.2 Ų129.264%0.63672%0.715SS**  cis-170.4173.4-31.2660000110.6
303S39.1Very low38.5Very low119 Ų119133 Ų13383%0.83273%0.73SS**  trans70.4155.2172.379.70000117.5
304A39.6Very low38.4Very low87 Ų87128.9 Ų128.972%0.71973%0.73SS**  cis-169.9171-31.200000106.8
305L47.5Very low38.9Very low150 Ų150132.9 Ų132.979%0.78575%0.747SS**  cis-140175.57.4-82.9173.9000109.8
306D38.8Very low39.1Very low135 Ų135126.6 Ų126.672%0.72275%0.747SS**  trans26.1141.7142.6-56.9-36.2000122.2
307S42.5Very low39.5Very low89 Ų89126.3 Ų126.362%0.62275%0.75SS**  cis-154.3145.735.5-104.60000114.4
308F42.6Very low39.8Very low185 Ų185129.3 Ų129.381%0.81176%0.755SS**  trans37.5117.1158.9-46.7-65.9000120.4
309S39Very low40Very low98 Ų98131.6 Ų131.669%0.68576%0.758SS**  70.2121.855.7-168.60000113.4
310N37.7Very low40.4Very low138 Ų138131.9 Ų131.974%0.73876%0.76SS**  cis-156.4165.41.7-113.8-13.6000108.8
311S37.1Very low40.5Very low98 Ų98131.7 Ų131.769%0.68577%0.768SS**  cis78.5155.427.6-130.30000114.8
312P43.8Very low40.4Very low90 Ų90132.4 Ų132.458%0.58478%0.776SS**  cis-148.9168.49.547-27.9000119.8
313K40.8Very low40.7Very low206 Ų206133 Ų13390%0.89678%0.781SS**  trans70.7141.5157-33.2-170.4-172.8174.80120.3
314G36.2Very low40.6Very low71 Ų71134.8 Ų134.873%0.73278%0.781SS**  cis172.3165.6-11.400000118.3
315M41.8Very low40.7Very low192 Ų192138.5 Ų138.595%0.94679%0.787SS**  trans62.680.2151.6-60.3179.369.500120.6
316G34.8Very low40.5Very low82 Ų82142.2 Ų142.285%0.84579%0.792SS**  79.9123.5101.700000121.4
317S42.3Very low40.6Very low124 Ų124140.7 Ų140.787%0.86779%0.792SS**  -159.8158.6125.6-166.10000110.6
318R38.3Very low40.8Very low225 Ų225143 Ų14385%0.84980%0.802SS**  trans-101.7138.6171.4-53179.4-170170.92.6109.3
319K44.7Very low40.9Very low201 Ų201142.5 Ų142.587%0.87480%0.8SS**  trans179.1148.1131.4-100.3159-175.4-175.50113.8
320S43.2Very low41.1Very low104 Ų104143.5 Ų143.573%0.72780%0.803SS**  trans9.6127.3155.256.80000120.1
321S41.3Very low41.2Very low115 Ų115141.8 Ų141.880%0.80481%0.808SS**  -171.3151.786-88.10000113
322L39.2Very low41.8Very low180 Ų180143.6 Ų143.694%0.94281%0.805SS**  trans-87.4124.4175.2-68.3167.5000110.2
323S44.3Very low42Very low105 Ų105146.5 Ų146.573%0.73482%0.816SS**  trans-154.4146.4163.855.40000112.8
324N36.9Very low42.8Very low156 Ų156143.6 Ų143.683%0.83480%0.803SS**  trans4888.6161.3-61.70.9000119.2Y326N324-Y326 PolarHBondContact O-N 2.85Å
325I41.6Very low44.1Very low164 Ų164145.8 Ų145.884%0.84181%0.805SS**  trans-82.7100.9155.8-56.1169.4000108.6
326Y43.5Very low45.2Very low228 Ų228146.3 Ų146.389%0.89480%0.802SS**  trans-167.279.4152.7-99-61.2000111N324N324-Y326 PolarHBondContact O-N 2.85Å
327S41.7Very low47Very low104 Ų104152.6 Ų152.673%0.72781%0.806SS**  trans-96115.4168.7-56.10000110.1F329S327-F329 PolarHBondContact O-N 3.37Å
328T45Very low48.7Very low136 Ų136157.6 Ų157.683%0.83481%0.806SS**  trans-73107.3170.843.60000110.1T330T328-T330 PolarHBondContact O-N 3.25Å
329F45.7Very low50.8Low175 Ų175153.3 Ų153.377%0.76880%0.804SS**  trans-67.8129.2175.1-74-83000111.7S327S327-F329 PolarHBondContact O-N 3.37Å
330T42.4Very low52.5Low120 Ų120148.7 Ų148.774%0.73680%0.797SS**  trans-61.6145.3164.7460000111.1T328 E332T328-T330 PolarHBondContact O-N 3.25Å; T330-E332 PolarHBondContact O-N 3.02Å
331A41.3Very low54.5Low102 Ų102154.3 Ų154.384%0.84380%0.803SS**  trans-97.152.1-159.300000114.2
332E48.9Very low56.4Low136 Ų136151.5 Ų151.564%0.63679%0.787SS**  trans-91.6119.5171.5-78.3-58.1147.800112.4T330 K334T330-E332 PolarHBondContact O-N 3.02Å; E332-K334 PolarHBondContact O-N 2.98Å
333N48.1Very low58.7Low150 Ų150147.3 Ų147.380%0.80277%0.765SS**  trans29.280.5157.1-72.2-74.9000117.5
334K56.8Low60.4Low145 Ų145150.7 Ų150.763%0.6377%0.769SS**  trans-122.3133.5175.7-77.8159.9-171.2164.60112.7E332E332-K334 PolarHBondContact O-N 2.98Å
335P63.4Low62.5Low118 Ų118150.7 Ų150.777%0.76677%0.77SS**  trans-68163-176.628.3-35.5000112.8K337P335-K337 PolarHBondContact O-N 3.1Å; P335-K337 VanDerWaalsContact O-N 3.1Å
336K66.6Low64.4Low202 Ų202149.6 Ų149.688%0.87876%0.759SS**  trans-46.5115.2-176.2-65.9178.9-179.3177.40111.7R338K336-R338 PolarHBondContact O-N 3.37Å
337K71Confident66.3Low215 Ų215143.5 Ų143.594%0.93574%0.741SS**  trans-57.5101.7178.4-64.4179.7-178.2177.70110.4P335P335-K337 PolarHBondContact O-N 3.1Å; P335-K337 VanDerWaalsContact O-N 3.1Å
338R78.7Confident68.1Low228 Ų228145.2 Ų145.286%0.8674%0.738SS**  trans-92.1137168.2-70.6177.765.3-172.2-1.2108.7K336K336-R338 PolarHBondContact O-N 3.37Å
339V82.2Confident69.9Low135 Ų135143.7 Ų143.782%0.81873%0.732SS**  trans-82.1124.2166.8-179.10000107.8
340S81.5Confident71.5Confident105 Ų105142.1 Ų142.173%0.73473%0.725SS**  trans-133.9130.4167.9520000107.9
341W84.1Confident73.4Confident221 Ų221146.5 Ų146.584%0.83773%0.73SS**PPolyproline II helixtrans-68160.6166.2-59.1105.2000109.7
342A82.5Confident75.2Confident57 Ų57151.5 Ų151.547%0.47173%0.728SS.*PPolyproline II helixtrans-72170.2164.500000110.1K346 L347A342-K346 HydrophobicContact CB-CB 4Å; A342-L347 HydrophobicContact CB-CD1 4.17Å; A342-L347 WeakPolarHBondContact O-CD1 3.43Å
343D85.9Confident76.6Confident92 Ų92151.9 Ų151.949%0.49273%0.728SS.*PPolyproline II helixtrans-61.9153.2171.6-41.5-64.5000110.3D345 K346 L347D343-D345 VanDerWaalsContact C-N 3.26Å; D343-D345 PolarHBondContact O-N 3.15Å; D343-K346 HydrophobicContact CB-CD 4.41Å; D343-K346 CarbonylContact O-C 3.49Å; D343-K346 WeakPolarHBondContact O-CA 3.3Å; D343-K346 PolarHBondContact O-N 3.37Å; D343-K346 WeakPolarHBondContact OD2-CD 3.49Å; D343-K346 WeakPolarHBondContact OD2-CE 3.48Å; D343-K346 IonicContact OD2-NZ 3.77Å; D343-K346 PolarHBondContact OD2-NZ 2.86Å; D343-L347 WeakPolarHBondContact O-CD1 3.37Å; D343-L347 PolarHBondContact O-N 3.21Å
344E81.1Confident78.1Confident175 Ų175153.4 Ų153.482%0.81873%0.731SS**G310 helixtrans-57-38.5-174.2-63.4-166.6144.900112.7K346 L347E344-K346 PolarHBondContact O-N 2.67Å; E344-K346 VanDerWaalsContact O-N 3.09Å; E344-L347 PolarHBondContact O-N 3.2Å
345D80.9Confident78.8Confident157 Ų157151.7 Ų151.784%0.8473%0.728SS**G310 helixtrans-62.6-15.2175.7-52.6-52.6000114.1D343D343-D345 VanDerWaalsContact C-N 3.26Å; D343-D345 PolarHBondContact O-N 3.15Å
346K81.3Confident79.2Confident141 Ų141150.3 Ų150.361%0.61371%0.714SS**G310 helixtrans-113-2.1-178-61.9170.3-167.3156.50112.8A342 D343 E344 Q348A342-K346 HydrophobicContact CB-CB 4Å; D343-K346 HydrophobicContact CB-CD 4.41Å; D343-K346 CarbonylContact O-C 3.49Å; D343-K346 WeakPolarHBondContact O-CA 3.3Å; D343-K346 PolarHBondContact O-N 3.37Å; D343-K346 WeakPolarHBondContact OD2-CD 3.49Å; D343-K346 WeakPolarHBondContact OD2-CE 3.48Å; D343-K346 IonicContact OD2-NZ 3.77Å; D343-K346 PolarHBondContact OD2-NZ 2.86Å; E344-K346 PolarHBondContact O-N 2.67Å; E344-K346 VanDerWaalsContact O-N 3.09Å; K346-Q348 PolarHBondContact O-N 3.22Å
347L82.5Confident79.2Confident100 Ų100149.1 Ų149.152%0.52471%0.712SS.*SBendtrans-69.5-21.8177.2-110.370.6000113.1A342 D343 E344A342-L347 HydrophobicContact CB-CD1 4.17Å; A342-L347 WeakPolarHBondContact O-CD1 3.43Å; D343-L347 WeakPolarHBondContact O-CD1 3.37Å; D343-L347 PolarHBondContact O-N 3.21Å; E344-L347 PolarHBondContact O-N 3.2Å
348Q80.6Confident79Confident140 Ų140142.8 Ų142.865%0.65469%0.694SS**  trans-120.8122.8-176-59.7-176.515.400110.3K346 F350K346-Q348 PolarHBondContact O-N 3.22Å; Q348-F350 HydrophobicContact CB-CE2 3.89Å; Q348-F350 HydrophobicContact CB-CZ 4.14Å; Q348-F350 VanDerWaalsContact OE1-CZ 3.24Å
349S82.8Confident78.6Confident103 Ų103138.3 Ų138.372%0.7268%0.683SS**  trans-118.6122.8168.6550000109.3
350F80Confident77.6Confident143 Ų143138.8 Ų138.863%0.62767%0.67SS**  trans-100.8107.6-177.2-64.4-81.3000110Q348 Y352Q348-F350 HydrophobicContact CB-CE2 3.89Å; Q348-F350 HydrophobicContact CB-CZ 4.14Å; Q348-F350 VanDerWaalsContact OE1-CZ 3.24Å; F350-Y352 HydrophobicContact CB-CE2 4.23Å
351Y81.2Confident76.4Confident211 Ų211136.5 Ų136.583%0.82765%0.652SS**  trans-95.2107.9167.4-83.6-88.2000109.8F353Y351-F353 PolarHBondContact O-N 3.37Å
352Y79.6Confident75Confident207 Ų207130.6 Ų130.681%0.81264%0.636SS**PPolyproline II helixtrans-74.4116.6167.1-58.9-84.2000108.7F350F350-Y352 HydrophobicContact CB-CE2 4.23Å
353F77.8Confident73.6Confident145 Ų145133.1 Ų133.164%0.63665%0.646SS**PPolyproline II helixtrans-84133.2159.855.3-88.6000108.1Y351 L355Y351-F353 PolarHBondContact O-N 3.37Å; F353-L355 HydrophobicContact CE2-CG 4.38Å; F353-L355 PolarHBondContact O-N 3.4Å
354E79.8Confident72.2Confident182 Ų182135.4 Ų135.485%0.8566%0.658SS**PPolyproline II helixtrans-61.9127.7162.7-73.6168.6-164.400107.3D356E354-D356 VanDerWaalsContact C-N 3.28Å; E354-D356 PolarHBondContact O-N 2.96Å
355L71.3Confident71.3Confident109 Ų109137 Ų13757%0.57166%0.656SS**  trans-79.883.7-176.9-158.1172.1000108F353 E357F353-L355 HydrophobicContact CE2-CG 4.38Å; F353-L355 PolarHBondContact O-N 3.4Å; L355-E357 PolarHBondContact O-N 2.76Å
356D71.5Confident70.6Confident89 Ų89132.6 Ų132.648%0.47664%0.635SS.*  trans-55.5110177.8-173.1-23.6000109.6E354 S358 E359E354-D356 VanDerWaalsContact C-N 3.28Å; E354-D356 PolarHBondContact O-N 2.96Å; D356-S358 VanDerWaalsContact CG-OG 3.31Å; D356-S358 PolarHBondContact O-N 3.07Å; D356-S358 VanDerWaalsContact O-N 3.13Å; D356-S358 WeakPolarHBondContact OD1-CA 3.45Å; D356-S358 VanDerWaalsContact OD1-CB 3.23Å; D356-S358 WeakPolarHBondContact OD1-CB 3.43Å; D356-S358 PolarHBondContact OD1-N 3.14Å; D356-S358 PolarHBondContact OD1-OG 3.26Å; D356-S358 PolarHBondContact OD2-OG 3.06Å; D356-E359 HydrophobicContact CB-CB 4.07Å; D356-E359 PolarHBondContact O-N 3.2Å; D356-E359 VanDerWaalsContact O-N 3.14Å; D356-E359 PolarHBondContact OD1-N 2.92Å
357E67.2Low70.1Confident177 Ų177128.7 Ų128.783%0.82763%0.626SS**THydrogen-bonded Turntrans-61.6-21.4-178.7-60.5-165.1143.200111.9L355 V361L355-E357 PolarHBondContact O-N 2.76Å; E357-V361 WeakPolarHBondContact O-CG2 3.11Å
358S66.4Low69.9Low82 Ų82130.7 Ų130.757%0.57364%0.636SS**THydrogen-bonded Turntrans-82-33.3176.580.60000113.7D356 R360 V361D356-S358 VanDerWaalsContact CG-OG 3.31Å; D356-S358 PolarHBondContact O-N 3.07Å; D356-S358 VanDerWaalsContact O-N 3.13Å; D356-S358 WeakPolarHBondContact OD1-CA 3.45Å; D356-S358 VanDerWaalsContact OD1-CB 3.23Å; D356-S358 WeakPolarHBondContact OD1-CB 3.43Å; D356-S358 PolarHBondContact OD1-N 3.14Å; D356-S358 PolarHBondContact OD1-OG 3.26Å; D356-S358 PolarHBondContact OD2-OG 3.06Å; S358-R360 PolarHBondContact O-N 3.49Å; S358-V361 WeakPolarHBondContact O-CB 3.44Å; S358-V361 PolarHBondContact O-N 3.29Å; S358-V361 VanDerWaalsContact O-N 3.13Å
359E69.5Low70Confident133 Ų133128.5 Ų128.562%0.62163%0.625SS**THydrogen-bonded Turntrans-58.7-37.3178.4-172.5-162-128.600111.2D356D356-E359 HydrophobicContact CB-CB 4.07Å; D356-E359 PolarHBondContact O-N 3.2Å; D356-E359 VanDerWaalsContact O-N 3.14Å; D356-E359 PolarHBondContact OD1-N 2.92Å
360R61.2Low70.1Confident145 Ų145127.1 Ų127.155%0.54761%0.61SS.*THydrogen-bonded Turntrans-10322.7-179.8-60.6-168.7-176.8119.526.5113.8S358 N362S358-R360 PolarHBondContact O-N 3.49Å; R360-N362 VanDerWaalsContact C-N 3.33Å; R360-N362 PolarHBondContact O-N 3.17Å
361V56.5Low70.2Confident57 Ų57123.6 Ų123.635%0.34560%0.597SS.*  trans-6797.1161.8174.60000108.5E357 S358 V363 R365 V366E357-V361 WeakPolarHBondContact O-CG2 3.11Å; S358-V361 WeakPolarHBondContact O-CB 3.44Å; S358-V361 PolarHBondContact O-N 3.29Å; S358-V361 VanDerWaalsContact O-N 3.13Å; V361-V363 PolarHBondContact O-N 3.29Å; V361-R365 HydrophobicContact CG1-CB 4.07Å; V361-V366 HydrophobicContact CG1-CG2 3.83Å
362N54.7Low70.4Confident97 Ų97121.6 Ų121.652%0.51959%0.588SS.*  trans-45.6123.3162.5176.619.1000109R360 N364 R365R360-N362 VanDerWaalsContact C-N 3.33Å; R360-N362 PolarHBondContact O-N 3.17Å; N362-N364 PolarHBondContact O-N 2.98Å; N362-R365 WeakPolarHBondContact O-CB 3.27Å; N362-R365 PolarHBondContact O-N 3.39Å
363V54.9Low70.9Confident110 Ų110117.7 Ų117.767%0.66757%0.571SS**G310 helixtrans-53.8-25.1-172.3-70.60000113.6V361 R365 V366V361-V363 PolarHBondContact O-N 3.29Å; V363-R365 PolarHBondContact O-N 3.13Å; V363-R365 VanDerWaalsContact O-N 3.08Å; V363-V366 PolarHBondContact O-N 3.42Å
364N56.1Low71.3Confident140 Ų140117.7 Ų117.775%0.74957%0.571SS**G310 helixtrans-707.8172.2-61.410.6000115.1N362N362-N364 PolarHBondContact O-N 2.98Å
365R62.6Low71.7Confident208 Ų208114.4 Ų114.479%0.78556%0.556SS**G310 helixtrans-109.9-19.3175.4-81-173.4173.3176.5-1.8114.7V361 N362 V363V361-R365 HydrophobicContact CG1-CB 4.07Å; N362-R365 WeakPolarHBondContact O-CB 3.27Å; N362-R365 PolarHBondContact O-N 3.39Å; V363-R365 PolarHBondContact O-N 3.13Å; V363-R365 VanDerWaalsContact O-N 3.08Å
366V64.4Low72.5Confident66 Ų66113.3 Ų113.340%0.455%0.548SS..SBendtrans-77.7134.5169.2-169.80000106.8V361 V363 I368 D370 I371V361-V366 HydrophobicContact CG1-CG2 3.83Å; V363-V366 PolarHBondContact O-N 3.42Å; V366-I368 PolarHBondContact O-N 3.17Å; V366-D370 HydrophobicContact CG1-CB 4.13Å; V366-I371 HydrophobicContact CB-CD1 4.24Å; V366-I371 HydrophobicContact CB-CG1 4.19Å; V366-I371 HydrophobicContact CG1-CD1 4.33Å; V366-I371 HydrophobicContact CG1-CG1 3.72Å
367S72.1Confident73.3Confident58 Ų58111.9 Ų111.941%0.40655%0.545SS..  trans-63.3137.1175.8-170.30000109.5E369 D370 I371S367-E369 PolarHBondContact O-N 3.22Å; S367-E369 VanDerWaalsContact O-N 3.13Å; S367-E369 PolarHBondContact OG-N 3.4Å; S367-D370 WeakPolarHBondContact CB-OD2 3.35Å; S367-D370 WeakPolarHBondContact O-CA 3.3Å; S367-D370 WeakPolarHBondContact O-CB 3.12Å; S367-D370 PolarHBondContact O-N 2.94Å; S367-I371 PolarHBondContact O-N 3.23Å
368I77.3Confident74.3Confident143 Ų143108 Ų10873%0.73353%0.528SS*.Hα-helixtrans-54.1-33.7171.5-61170.6000109.8V366 I371 R372V366-I368 PolarHBondContact O-N 3.17Å; I368-I371 PolarHBondContact O-N 2.87Å; I368-R372 VanDerWaalsContact O-CB 3.3Å; I368-R372 WeakPolarHBondContact O-CB 3.45Å; I368-R372 PolarHBondContact O-N 3.44Å
369E84Confident75.2Confident93 Ų93108.9 Ų108.944%0.43552%0.523SS..Hα-helixtrans-72-26.8177.2-166.550.3-136.700113.5S367 R373S367-E369 PolarHBondContact O-N 3.22Å; S367-E369 VanDerWaalsContact O-N 3.13Å; S367-E369 PolarHBondContact OG-N 3.4Å; E369-R373 WeakPolarHBondContact O-CB 3.31Å; E369-R373 WeakPolarHBondContact O-CG 3.5Å; E369-R373 VanDerWaalsContact O-CZ 3.31Å; E369-R373 PolarHBondContact O-N 3.18Å; E369-R373 VanDerWaalsContact O-N 3.15Å; E369-R373 PolarHBondContact O-NE 3.36Å; E369-R373 VanDerWaalsContact O-NE 3.15Å; E369-R373 PolarHBondContact O-NH2 3.15Å; E369-R373 IonicContact OE1-NE 2.67Å
370D84.3Confident76Confident74 Ų74109.9 Ų109.940%0.39652%0.521SS..Hα-helixtrans-78.5-37.9172.1-67.6-48.4000111.3V366 S367 R373 K374V366-D370 HydrophobicContact CG1-CB 4.13Å; S367-D370 WeakPolarHBondContact CB-OD2 3.35Å; S367-D370 WeakPolarHBondContact O-CA 3.3Å; S367-D370 WeakPolarHBondContact O-CB 3.12Å; S367-D370 PolarHBondContact O-N 2.94Å; D370-R373 IonicContact OD1-CZ 3.67Å; D370-R373 IonicContact OD1-NH1 3.19Å; D370-R373 PolarHBondContact OD1-NH1 2.84Å; D370-R373 IonicContact OD1-NH2 3.21Å; D370-R373 PolarHBondContact OD1-NH2 3.12Å; D370-K374 WeakPolarHBondContact O-CB 3.27Å; D370-K374 PolarHBondContact O-N 2.64Å
371I82.5Confident77.1Confident69 Ų69108.9 Ų108.935%0.35452%0.522SS..Hα-helixtrans-60.9-52.6172.6-61.3173.6000109.3V366 S367 I368 R373 K374 E375V366-I371 HydrophobicContact CB-CD1 4.24Å; V366-I371 HydrophobicContact CB-CG1 4.19Å; V366-I371 HydrophobicContact CG1-CD1 4.33Å; V366-I371 HydrophobicContact CG1-CG1 3.72Å; S367-I371 PolarHBondContact O-N 3.23Å; I368-I371 PolarHBondContact O-N 2.87Å; I371-R373 VanDerWaalsContact C-N 3.33Å; I371-R373 PolarHBondContact O-N 2.99Å; I371-K374 CarbonylContact O-C 3.59Å; I371-K374 WeakPolarHBondContact O-CA 3.5Å; I371-K374 WeakPolarHBondContact O-CB 3.39Å; I371-K374 PolarHBondContact O-N 2.91Å; I371-E375 HydrophobicContact CG2-CG 4.36Å; I371-E375 PolarHBondContact O-N 3.35Å
372R85.5Confident78.1Confident169 Ų169111.9 Ų111.964%0.63854%0.536SS*.Hα-helixtrans-58.8-41.6179.7-166.2179.2-167.9179.24.6112.5I368 K374 H376I368-R372 VanDerWaalsContact O-CB 3.3Å; I368-R372 WeakPolarHBondContact O-CB 3.45Å; I368-R372 PolarHBondContact O-N 3.44Å; R372-K374 VanDerWaalsContact C-N 3.35Å; R372-H376 VanDerWaalsContact O-CB 3.23Å; R372-H376 WeakPolarHBondContact O-CB 3.39Å; R372-H376 PolarHBondContact O-N 3.14Å
373R89.2Confident78.8Confident125 Ų125114.1 Ų114.147%0.47254%0.541SS..Hα-helixtrans-65.7-33.3173-84.9-178-82.5108.51.7113E369 D370 I371 S377E369-R373 WeakPolarHBondContact O-CB 3.31Å; E369-R373 WeakPolarHBondContact O-CG 3.5Å; E369-R373 VanDerWaalsContact O-CZ 3.31Å; E369-R373 PolarHBondContact O-N 3.18Å; E369-R373 VanDerWaalsContact O-N 3.15Å; E369-R373 PolarHBondContact O-NE 3.36Å; E369-R373 VanDerWaalsContact O-NE 3.15Å; E369-R373 PolarHBondContact O-NH2 3.15Å; E369-R373 IonicContact OE1-NE 2.67Å; D370-R373 IonicContact OD1-CZ 3.67Å; D370-R373 IonicContact OD1-NH1 3.19Å; D370-R373 PolarHBondContact OD1-NH1 2.84Å; D370-R373 IonicContact OD1-NH2 3.21Å; D370-R373 PolarHBondContact OD1-NH2 3.12Å; I371-R373 VanDerWaalsContact C-N 3.33Å; I371-R373 PolarHBondContact O-N 2.99Å; R373-S377 VanDerWaalsContact O-CB 3.26Å; R373-S377 WeakPolarHBondContact O-CB 3.48Å; R373-S377 PolarHBondContact O-N 3Å; R373-S377 VanDerWaalsContact O-N 3.14Å
374K87.4Confident79.7Confident146 Ų146116.9 Ų116.964%0.63554%0.544SS*.Hα-helixtrans-70.7-45.6175.2-171.7178.8179.1-176.80111.7D370 I371 R372 S377 M378D370-K374 WeakPolarHBondContact O-CB 3.27Å; D370-K374 PolarHBondContact O-N 2.64Å; I371-K374 CarbonylContact O-C 3.59Å; I371-K374 WeakPolarHBondContact O-CA 3.5Å; I371-K374 WeakPolarHBondContact O-CB 3.39Å; I371-K374 PolarHBondContact O-N 2.91Å; R372-K374 VanDerWaalsContact C-N 3.35Å; K374-S377 WeakPolarHBondContact O-CB 3.4Å; K374-S377 PolarHBondContact O-N 3.34Å; K374-M378 WeakPolarHBondContact O-CG 3.43Å; K374-M378 PolarHBondContact O-N 3.35Å
375E86.3Confident80.2Confident113 Ų113118.6 Ų118.653%0.52854%0.54SS..Hα-helixtrans-60.7-52.5177.4-70174.414100111.4I371 S377 M378 E379I371-E375 HydrophobicContact CG2-CG 4.36Å; I371-E375 PolarHBondContact O-N 3.35Å; E375-S377 PolarHBondContact O-N 2.89Å; E375-M378 PolarHBondContact O-N 3.35Å; E375-E379 WeakPolarHBondContact O-CB 3.34Å; E375-E379 PolarHBondContact O-N 3.02Å
376H89Confident80Confident85 Ų85111.7 Ų111.739%0.39452%0.524SS..Hα-helixtrans-60-25.8175.5176.6-126.4000113.4R372 E379 R380R372-H376 VanDerWaalsContact O-CB 3.23Å; R372-H376 WeakPolarHBondContact O-CB 3.39Å; R372-H376 PolarHBondContact O-N 3.14Å; H376-E379 IonicContact CD2-OE2 2.65Å; H376-R380 PolarHBondContact CE1-NE 3.47Å; H376-R380 PolarHBondContact CE1-NH2 3.35Å; H376-R380 VanDerWaalsContact NE2-CZ 3.35Å; H376-R380 PolarHBondContact NE2-NE 3.47Å; H376-R380 PolarHBondContact NE2-NH2 3.25Å; H376-R380 VanDerWaalsContact O-CG 3.29Å; H376-R380 WeakPolarHBondContact O-CG 3.41Å; H376-R380 PolarHBondContact O-N 3.01Å
377S88.8Confident79.7Confident59 Ų59115.4 Ų115.441%0.41354%0.536SS..Hα-helixtrans-75.5-42.2172.2-171.30000112.1R373 K374 E375 R380 Q381R373-S377 VanDerWaalsContact O-CB 3.26Å; R373-S377 WeakPolarHBondContact O-CB 3.48Å; R373-S377 PolarHBondContact O-N 3Å; R373-S377 VanDerWaalsContact O-N 3.14Å; K374-S377 WeakPolarHBondContact O-CB 3.4Å; K374-S377 PolarHBondContact O-N 3.34Å; E375-S377 PolarHBondContact O-N 2.89Å; S377-R380 PolarHBondContact O-N 2.65Å; S377-Q381 WeakPolarHBondContact O-CG 3.28Å; S377-Q381 PolarHBondContact O-N 2.89Å; S377-Q381 VanDerWaalsContact O-N 3.12Å
378M88Confident79.1Confident96 Ų96119.8 Ų119.847%0.47355%0.551SS.*Hα-helixtrans-66.2-41.1174.5-65.2-169.6-50.300111.7K374 E375 R380 Q381 L382K374-M378 WeakPolarHBondContact O-CG 3.43Å; K374-M378 PolarHBondContact O-N 3.35Å; E375-M378 PolarHBondContact O-N 3.35Å; M378-R380 VanDerWaalsContact C-N 3.35Å; M378-R380 PolarHBondContact O-N 3.39Å; M378-Q381 WeakPolarHBondContact O-CA 3.06Å; M378-Q381 WeakPolarHBondContact O-CB 3.27Å; M378-Q381 PolarHBondContact O-N 3.46Å; M378-L382 WeakPolarHBondContact O-CG 3.47Å; M378-L382 PolarHBondContact O-N 3.33Å
379E85.1Confident78.1Confident100 Ų100117.8 Ų117.847%0.46754%0.541SS..Hα-helixtrans-55.6-47.8173.5-178.8177.4-13800111.3E375 H376 Q381 L382 F383E375-E379 WeakPolarHBondContact O-CB 3.34Å; E375-E379 PolarHBondContact O-N 3.02Å; H376-E379 IonicContact CD2-OE2 2.65Å; E379-Q381 VanDerWaalsContact C-N 3.25Å; E379-Q381 PolarHBondContact O-N 3.04Å; E379-L382 PolarHBondContact O-N 3.3Å; E379-L382 VanDerWaalsContact O-N 3.14Å; E379-F383 HydrophobicContact CG-CD2 3.91Å; E379-F383 HydrophobicContact CG-CE2 3.8Å; E379-F383 WeakPolarHBondContact O-CD2 3.22Å; E379-F383 PolarHBondContact O-N 3.29Å
380R86Confident76.7Confident155 Ų155116.8 Ų116.859%0.58554%0.541SS*.Hα-helixtrans-65.2-23.6174.6-73.4174.5-176.3-93.6-5.8114.1H376 S377 M378 K384H376-R380 PolarHBondContact CE1-NE 3.47Å; H376-R380 PolarHBondContact CE1-NH2 3.35Å; H376-R380 VanDerWaalsContact NE2-CZ 3.35Å; H376-R380 PolarHBondContact NE2-NE 3.47Å; H376-R380 PolarHBondContact NE2-NH2 3.25Å; H376-R380 VanDerWaalsContact O-CG 3.29Å; H376-R380 WeakPolarHBondContact O-CG 3.41Å; H376-R380 PolarHBondContact O-N 3.01Å; S377-R380 PolarHBondContact O-N 2.65Å; M378-R380 VanDerWaalsContact C-N 3.35Å; M378-R380 PolarHBondContact O-N 3.39Å; R380-K384 WeakPolarHBondContact O-CG 3.38Å; R380-K384 PolarHBondContact O-N 3.1Å
381Q84.6Confident75.3Confident123 Ų123119.6 Ų119.658%0.57556%0.556SS**Hα-helixtrans-78.4-37.1171.6-70.6176.19.400111.9S377 M378 E379 K384 R385S377-Q381 WeakPolarHBondContact O-CG 3.28Å; S377-Q381 PolarHBondContact O-N 2.89Å; S377-Q381 VanDerWaalsContact O-N 3.12Å; M378-Q381 WeakPolarHBondContact O-CA 3.06Å; M378-Q381 WeakPolarHBondContact O-CB 3.27Å; M378-Q381 PolarHBondContact O-N 3.46Å; E379-Q381 VanDerWaalsContact C-N 3.25Å; E379-Q381 PolarHBondContact O-N 3.04Å; Q381-K384 PolarHBondContact O-N 2.63Å; Q381-R385 PolarHBondContact O-N 2.93Å; Q381-R385 VanDerWaalsContact O-N 3.1Å
382L77.8Confident74.2Confident121 Ų121120.5 Ų120.563%0.63457%0.565SS**Hα-helixtrans-64.3-47.1173.1-68.5172.1000111.1M378 E379 K384 R385 S386M378-L382 WeakPolarHBondContact O-CG 3.47Å; M378-L382 PolarHBondContact O-N 3.33Å; E379-L382 PolarHBondContact O-N 3.3Å; E379-L382 VanDerWaalsContact O-N 3.14Å; L382-K384 VanDerWaalsContact C-N 3.28Å; L382-K384 PolarHBondContact O-N 3.06Å; L382-R385 PolarHBondContact O-N 2.9Å; L382-R385 VanDerWaalsContact O-N 3.15Å; L382-S386 WeakPolarHBondContact O-CB 3.46Å; L382-S386 PolarHBondContact O-N 3.27Å
383F68.9Low72.9Confident144 Ų144122.9 Ų122.963%0.63258%0.576SS**Hα-helixtrans-62.3-31.5174.5-81.9-69000113.5E379 S386 H387E379-F383 HydrophobicContact CG-CD2 3.91Å; E379-F383 HydrophobicContact CG-CE2 3.8Å; E379-F383 WeakPolarHBondContact O-CD2 3.22Å; E379-F383 PolarHBondContact O-N 3.29Å; F383-S386 PolarHBondContact O-N 2.59Å; F383-H387 PolarHBondContact O-N 3.17Å
384K73.6Confident71.8Confident168 Ų168121.9 Ų121.973%0.7359%0.588SS**Hα-helixtrans-68.9-37.4173.2-85.3-169.1170.9-164.70113.3R380 Q381 L382 H387R380-K384 WeakPolarHBondContact O-CG 3.38Å; R380-K384 PolarHBondContact O-N 3.1Å; Q381-K384 PolarHBondContact O-N 2.63Å; L382-K384 VanDerWaalsContact C-N 3.28Å; L382-K384 PolarHBondContact O-N 3.06Å; K384-H387 PolarHBondContact O-N 3.2Å
385R66.8Low70.8Confident176 Ų176122.5 Ų122.566%0.66459%0.593SS**Hα-helixtrans-70.2-38.3171.9-78.5-179.9165.8165.5-4.7112.3Q381 L382 H387 E388 D389Q381-R385 PolarHBondContact O-N 2.93Å; Q381-R385 VanDerWaalsContact O-N 3.1Å; L382-R385 PolarHBondContact O-N 2.9Å; L382-R385 VanDerWaalsContact O-N 3.15Å; R385-H387 PolarHBondContact O-N 3.11Å; R385-H387 VanDerWaalsContact O-N 3.09Å; R385-E388 WeakPolarHBondContact O-CA 3.5Å; R385-E388 WeakPolarHBondContact O-CB 3.32Å; R385-E388 PolarHBondContact O-N 3.17Å; R385-D389 PolarHBondContact O-N 3.01Å
386S57.8Low70.5Confident62 Ų62125.2 Ų125.243%0.43460%0.603SS.*Hα-helixtrans-61-18174-178.80000113.7L382 F383L382-S386 WeakPolarHBondContact O-CB 3.46Å; L382-S386 PolarHBondContact O-N 3.27Å; F383-S386 PolarHBondContact O-N 2.59Å
387H59.8Low70.1Confident144 Ų144131.1 Ų131.167%0.66762%0.622SS**THydrogen-bonded Turntrans-77.7-22.9171.3-163.8-55000112F383 K384 R385 T390F383-H387 PolarHBondContact O-N 3.17Å; K384-H387 PolarHBondContact O-N 3.2Å; R385-H387 PolarHBondContact O-N 3.11Å; R385-H387 VanDerWaalsContact O-N 3.09Å; H387-T390 WeakPolarHBondContact O-CB 3.44Å; H387-T390 PolarHBondContact O-OG1 3.17Å
388E58.7Low69.7Low151 Ų151135 Ų13571%0.70663%0.633SS**G310 helixtrans-77.2-31.3170.2-56.9176.1139.600110.2R385 T390R385-E388 WeakPolarHBondContact O-CA 3.5Å; R385-E388 WeakPolarHBondContact O-CB 3.32Å; R385-E388 PolarHBondContact O-N 3.17Å; E388-T390 PolarHBondContact O-N 3.16Å; E388-T390 VanDerWaalsContact O-N 3.11Å
389D56Low69.5Low100 Ų100135.1 Ų135.154%0.53564%0.642SS.*G310 helixtrans-68.20.5169.7-67-52.2000114.5R385 D391 V392R385-D389 PolarHBondContact O-N 3.01Å; D389-D391 PolarHBondContact O-N 3.09Å; D389-D391 VanDerWaalsContact O-N 3.16Å; D389-V392 HydrophobicContact CB-CG2 4.49Å; D389-V392 VanDerWaalsContact O-CB 3.31Å; D389-V392 WeakPolarHBondContact O-CB 3.41Å; D389-V392 WeakPolarHBondContact O-CG2 3.44Å; D389-V392 PolarHBondContact O-N 3.38Å
390T54.1Low69.3Low72 Ų72135.6 Ų135.644%0.44265%0.653SS.*G310 helixtrans-58.1-30178.9-560000112.2H387 E388 V392 Y393H387-T390 WeakPolarHBondContact O-CB 3.44Å; H387-T390 PolarHBondContact O-OG1 3.17Å; E388-T390 PolarHBondContact O-N 3.16Å; E388-T390 VanDerWaalsContact O-N 3.11Å; T390-V392 PolarHBondContact O-N 3.11Å; T390-Y393 WeakPolarHBondContact O-CB 3.43Å; T390-Y393 PolarHBondContact O-N 3.41Å; T390-Y393 VanDerWaalsContact O-N 3.11Å
391D56Low69Low133 Ų133133.5 Ų133.571%0.71166%0.661SS**G310 helixtrans-62.2-22.8177.4-73.7-15.1000113D389 Y393 S394D389-D391 PolarHBondContact O-N 3.09Å; D389-D391 VanDerWaalsContact O-N 3.16Å; D391-Y393 VanDerWaalsContact C-N 3.27Å; D391-Y393 PolarHBondContact O-N 3.41Å; D391-S394 WeakPolarHBondContact O-CB 3.13Å; D391-S394 PolarHBondContact O-N 3.21Å; D391-S394 VanDerWaalsContact O-N 3.15Å
392V58.8Low68.8Low89 Ų89133.4 Ų133.454%0.53967%0.671SS.*G310 helixtrans-64.3-32.2176-1770000111.6D389 T390 S394 Q395D389-V392 HydrophobicContact CB-CG2 4.49Å; D389-V392 VanDerWaalsContact O-CB 3.31Å; D389-V392 WeakPolarHBondContact O-CB 3.41Å; D389-V392 WeakPolarHBondContact O-CG2 3.44Å; D389-V392 PolarHBondContact O-N 3.38Å; T390-V392 PolarHBondContact O-N 3.11Å; V392-S394 PolarHBondContact O-N 3.3Å; V392-Q395 PolarHBondContact O-N 3.44Å
393Y59.1Low68.7Low219 Ų219134.8 Ų134.886%0.85968%0.678SS**G310 helixtrans-67-12.6176.6-96.2-86.6000113.9T390 D391T390-Y393 WeakPolarHBondContact O-CB 3.43Å; T390-Y393 PolarHBondContact O-N 3.41Å; T390-Y393 VanDerWaalsContact O-N 3.11Å; D391-Y393 VanDerWaalsContact C-N 3.27Å; D391-Y393 PolarHBondContact O-N 3.41Å
394S66.1Low69.2Low104 Ų104136.8 Ų136.873%0.72769%0.69SS**G310 helixtrans-85.6-2.6176.1-63.90000113.9D391 V392 K396D391-S394 WeakPolarHBondContact O-CB 3.13Å; D391-S394 PolarHBondContact O-N 3.21Å; D391-S394 VanDerWaalsContact O-N 3.15Å; V392-S394 PolarHBondContact O-N 3.3Å; S394-K396 PolarHBondContact O-N 3.2Å
395Q66.3Low68.9Low159 Ų159138.4 Ų138.474%0.74369%0.691SS**SBendtrans-74120.6178-68.1-164.9-2.100111.9V392 W397V392-Q395 PolarHBondContact O-N 3.44Å; Q395-W397 PolarHBondContact O-N 2.91Å
396K80.4Confident69.3Low169 Ų169137.5 Ų137.574%0.73570%0.698SS**PPolyproline II helixtrans-62.4117.8177.6-178.3177.2-179.6175.50110.9S394 H398S394-K396 PolarHBondContact O-N 3.2Å; K396-H398 PolarHBondContact O-CD2 3.3Å; K396-H398 VanDerWaalsContact O-CD2 3.23Å
397W79.4Confident69.8Low209 Ų209140.2 Ų140.279%0.79271%0.708SS**PPolyproline II helixtrans-67.2138.4176.5-145.383.3000111.4Q395 P399Q395-W397 PolarHBondContact O-N 2.91Å; W397-P399 HydrophobicContact CZ3-CB 4.18Å
398H81.5Confident70.4Confident140 Ų140141.6 Ų141.665%0.64872%0.719SS**  trans-124.2123.2176.6-78.7-90.7000109.1K396K396-H398 PolarHBondContact O-CD2 3.3Å; K396-H398 VanDerWaalsContact O-CD2 3.23Å
399P82.3Confident71.3Confident100 Ų100138.8 Ų138.865%0.64971%0.712SS**PPolyproline II helixtrans-66.2144.7178.827.9-34.4000111W397W397-P399 HydrophobicContact CZ3-CB 4.18Å
400P82Confident72.4Confident109 Ų109141.5 Ų141.571%0.70872%0.722SS**PPolyproline II helixtrans-63.3147.1177.227.1-34.6000111.2
401C79.7Confident73.3Confident111 Ų111142.9 Ų142.975%0.7573%0.732SS**PPolyproline II helixtrans-60129.7179.2-172.50000111.1L403C401-L403 PolarHBondContact O-N 3.08Å
402P79Confident74.5Confident122 Ų122139.1 Ų139.179%0.79272%0.724SS**PPolyproline II helixtrans-56.7126.7175.9-26.635.6000112.4
403L75.4Confident75.6Confident149 Ų149137.9 Ų137.978%0.7872%0.719SS**  trans-91.6104.7177.6-69.1173.1000110.3C401 R405C401-L403 PolarHBondContact O-N 3.08Å; L403-R405 PolarHBondContact O-N 3.01Å
404E80.1Confident76.7Confident186 Ų186137.4 Ų137.487%0.86972%0.721SS**  trans-68.6100.9175.8-170.8165.9-160.100111L406E404-L406 PolarHBondContact O-N 3.39Å
405R67.4Low77.8Confident203 Ų203135.6 Ų135.677%0.76671%0.708SS**  trans-86.897.9-178.1-72.4-172.2176-160.71.7111.5L403 L407L403-R405 PolarHBondContact O-N 3.01Å; R405-L407 PolarHBondContact O-N 3.3Å
406L75.3Confident79Confident156 Ų156134 Ų13482%0.81770%0.704SS**  trans-65.6103162.5-63.2179.2000109.8E404 L408E404-L406 PolarHBondContact O-N 3.39Å; L406-L408 PolarHBondContact O-N 3.19Å
407L69Low79.5Confident119 Ų119130 Ų13062%0.62369%0.687SS**  trans-73.487.1178.7-66.3177.8000110.8R405 V409 P411R405-L407 PolarHBondContact O-N 3.3Å; L407-V409 PolarHBondContact O-N 3.23Å; L407-P411 HydrophobicContact CD1-CG 4.06Å; L407-P411 HydrophobicContact CD2-CG 4.4Å
408L72.5Confident79.9Confident173 Ų173130.6 Ų130.691%0.90669%0.69SS**SBendtrans-68.6-12.1177.8-157.172.4000113.5L406L406-L408 PolarHBondContact O-N 3.19Å
409V76.7Confident80.3Confident93 Ų93128.6 Ų128.656%0.56468%0.681SS**SBendtrans-144.4142.8179.5-179.10000108.2L407 C413L407-V409 PolarHBondContact O-N 3.23Å; V409-C413 HydrophobicContact CG1-CB 3.96Å; V409-C413 WeakPolarHBondContact CG1-SG 3.49Å
410E78.5Confident80.7Confident157 Ų157126.8 Ų126.873%0.73467%0.665SS**  trans-61.6129.5175.7-173.2179.6-151.500111.5G412 C413E410-G412 PolarHBondContact O-N 2.94Å; E410-C413 WeakPolarHBondContact O-CB 3.37Å; E410-C413 PolarHBondContact O-N 3.36Å; E410-C413 VanDerWaalsContact O-N 3.1Å
411P74.8Confident81Confident101 Ų101125.1 Ų125.166%0.65665%0.648SS**THydrogen-bonded Turntrans-56.1121.5176.4-26.635.7000112.3L407L407-P411 HydrophobicContact CD1-CG 4.06Å; L407-P411 HydrophobicContact CD2-CG 4.4Å
412G81.1Confident81.4Confident53 Ų53123.2 Ų123.255%0.54663%0.63SS.*THydrogen-bonded Turntrans93.2-1.2-179.400000115.5E410 K414 S415E410-G412 PolarHBondContact O-N 2.94Å; G412-K414 PolarHBondContact O-N 3.11Å; G412-S415 VanDerWaalsContact O-CB 3.26Å; G412-S415 WeakPolarHBondContact O-CB 3.5Å; G412-S415 PolarHBondContact O-N 3.36Å
413C80.9Confident82Confident64 Ų64121.7 Ų121.743%0.43261%0.612SS.*THydrogen-bonded Turntrans-54.4128.6171.5122.30000110.4V409 E410 S415V409-C413 HydrophobicContact CG1-CB 3.96Å; V409-C413 WeakPolarHBondContact CG1-SG 3.49Å; E410-C413 WeakPolarHBondContact O-CB 3.37Å; E410-C413 PolarHBondContact O-N 3.36Å; E410-C413 VanDerWaalsContact O-N 3.1Å; C413-S415 PolarHBondContact O-N 3.16Å
414K82.8Confident82.7Confident209 Ų209120 Ų12091%0.90960%0.595SS**THydrogen-bonded Turntrans60.211.3-173.9-52177.8-176.6179.50115.9G412G412-K414 PolarHBondContact O-N 3.11Å
415S89Confident83Confident65 Ų65115.7 Ų115.746%0.45558%0.575SS.*  trans-82.6127.1177.9-1730000111.8G412 C413 E417G412-S415 VanDerWaalsContact O-CB 3.26Å; G412-S415 WeakPolarHBondContact O-CB 3.5Å; G412-S415 PolarHBondContact O-N 3.36Å; C413-S415 PolarHBondContact O-N 3.16Å; S415-E417 VanDerWaalsContact C-N 3.32Å; S415-E417 VanDerWaalsContact OG-CB 3.26Å; S415-E417 WeakPolarHBondContact OG-CB 3.36Å; S415-E417 PolarHBondContact OG-N 2.93Å; S415-E417 VanDerWaalsContact OG-N 3.1Å
416I91.9Very high84.1Confident126 Ų126113.5 Ų113.565%0.64657%0.567SS**  trans-88.10.4166.258.3170.3000112.5R418 Q419 I420I416-R418 PolarHBondContact O-N 2.89Å; I416-R418 VanDerWaalsContact O-N 3.15Å; I416-Q419 WeakPolarHBondContact O-CA 3.3Å; I416-Q419 WeakPolarHBondContact O-CB 3.31Å; I416-Q419 PolarHBondContact O-N 2.76Å; I416-I420 HydrophobicContact CD1-CD1 3.88Å; I416-I420 HydrophobicContact CD1-CG1 4.46Å; I416-I420 HydrophobicContact CG1-CD1 3.84Å; I416-I420 HydrophobicContact CG1-CG1 4.4Å; I416-I420 PolarHBondContact O-N 2.97Å
417E90.3Very high84.5Confident84 Ų84111.7 Ų111.739%0.39357%0.566SS.*Hα-helixtrans-59.9-30.3-176-166.963.2-163.800112.3S415 Q419 I420 Q421 R424S415-E417 VanDerWaalsContact C-N 3.32Å; S415-E417 VanDerWaalsContact OG-CB 3.26Å; S415-E417 WeakPolarHBondContact OG-CB 3.36Å; S415-E417 PolarHBondContact OG-N 2.93Å; S415-E417 VanDerWaalsContact OG-N 3.1Å; E417-Q419 VanDerWaalsContact C-N 3.31Å; E417-Q419 PolarHBondContact O-N 3.09Å; E417-I420 PolarHBondContact O-N 3.02Å; E417-Q421 WeakPolarHBondContact O-CB 3.48Å; E417-Q421 PolarHBondContact O-N 2.74Å; E417-R424 IonicContact OE1-CZ 3.9Å; E417-R424 VanDerWaalsContact OE1-CZ 3.3Å; E417-R424 IonicContact OE1-NH1 2.59Å; E417-R424 PolarHBondContact OE1-NH1 2.88Å; E417-R424 IonicContact OE1-NH2 3.27Å; E417-R424 PolarHBondContact OE1-NH2 2.76Å; E417-R424 IonicContact OE2-NH2 2.63Å
418R87.5Confident85.3Confident222 Ų222110.4 Ų110.484%0.83856%0.563SS**Hα-helixtrans-61.5-37.7172.1176.8177.2-82.2169.4-5112.4I416 L422I416-R418 PolarHBondContact O-N 2.89Å; I416-R418 VanDerWaalsContact O-N 3.15Å; R418-L422 VanDerWaalsContact O-CB 3.3Å; R418-L422 WeakPolarHBondContact O-CB 3.46Å; R418-L422 PolarHBondContact O-N 3.02Å
419Q90.8Very high85.8Confident99 Ų99109.9 Ų109.946%0.46356%0.56SS.*Hα-helixtrans-75-42.7175.9-176.659.943.100110.8I416 E417 Q421 L422 E423I416-Q419 WeakPolarHBondContact O-CA 3.3Å; I416-Q419 WeakPolarHBondContact O-CB 3.31Å; I416-Q419 PolarHBondContact O-N 2.76Å; E417-Q419 VanDerWaalsContact C-N 3.31Å; E417-Q419 PolarHBondContact O-N 3.09Å; Q419-Q421 PolarHBondContact O-N 3.02Å; Q419-L422 PolarHBondContact O-N 2.69Å; Q419-E423 PolarHBondContact NE2-OE2 3.13Å; Q419-E423 WeakPolarHBondContact O-CB 3.18Å; Q419-E423 PolarHBondContact O-N 2.95Å
420I89.6Confident85.8Confident62 Ų62111.8 Ų111.832%0.31856%0.563SS.*Hα-helixtrans-62-44.8178.3-61.6173.6000110.6I416 E417 E423 R424I416-I420 HydrophobicContact CD1-CD1 3.88Å; I416-I420 HydrophobicContact CD1-CG1 4.46Å; I416-I420 HydrophobicContact CG1-CD1 3.84Å; I416-I420 HydrophobicContact CG1-CG1 4.4Å; I416-I420 PolarHBondContact O-N 2.97Å; E417-I420 PolarHBondContact O-N 3.02Å; I420-E423 WeakPolarHBondContact O-CB 3.47Å; I420-E423 PolarHBondContact O-N 2.85Å; I420-R424 VanDerWaalsContact CG2-NH2 3.34Å; I420-R424 WeakPolarHBondContact O-CG 3.44Å; I420-R424 PolarHBondContact O-N 3.13Å
421Q87.9Confident85.8Confident74 Ų74107.9 Ų107.935%0.34656%0.557SS.*Hα-helixtrans-64.3-41.7178.4-176.8601900111.6E417 Q419 E423 R424 E425E417-Q421 WeakPolarHBondContact O-CB 3.48Å; E417-Q421 PolarHBondContact O-N 2.74Å; Q419-Q421 PolarHBondContact O-N 3.02Å; Q421-E423 VanDerWaalsContact C-N 3.31Å; Q421-E423 PolarHBondContact O-N 3.19Å; Q421-R424 WeakPolarHBondContact O-CB 3.48Å; Q421-R424 PolarHBondContact O-N 3.45Å; Q421-E425 VanDerWaalsContact CG-OE1 3.3Å; Q421-E425 WeakPolarHBondContact CG-OE1 3.21Å; Q421-E425 PolarHBondContact NE2-OE1 3.01Å; Q421-E425 WeakPolarHBondContact O-CB 3.3Å; Q421-E425 VanDerWaalsContact O-CG 3.3Å; Q421-E425 WeakPolarHBondContact O-CG 3.38Å; Q421-E425 PolarHBondContact O-N 3.3Å
422L89.9Confident86.1Confident71 Ų71108.7 Ų108.737%0.37256%0.555SS.*Hα-helixtrans-62.1-38.6172.5-170.4157000111.6R418 Q419 E425 R426R418-L422 VanDerWaalsContact O-CB 3.3Å; R418-L422 WeakPolarHBondContact O-CB 3.46Å; R418-L422 PolarHBondContact O-N 3.02Å; Q419-L422 PolarHBondContact O-N 2.69Å; L422-E425 PolarHBondContact O-N 3.02Å; L422-R426 HydrophobicContact CD2-CG 4.37Å; L422-R426 VanDerWaalsContact CD2-CZ 3.49Å; L422-R426 WeakPolarHBondContact O-CG 3.43Å; L422-R426 PolarHBondContact O-N 2.69Å
423E90.3Very high86.2Confident89 Ų89111.5 Ų111.542%0.41655%0.55SS..Hα-helixtrans-67.4-36175.5-144.664.2-117.400112.4Q419 I420 Q421 R426Q419-E423 PolarHBondContact NE2-OE2 3.13Å; Q419-E423 WeakPolarHBondContact O-CB 3.18Å; Q419-E423 PolarHBondContact O-N 2.95Å; I420-E423 WeakPolarHBondContact O-CB 3.47Å; I420-E423 PolarHBondContact O-N 2.85Å; Q421-E423 VanDerWaalsContact C-N 3.31Å; Q421-E423 PolarHBondContact O-N 3.19Å; E423-R426 VanDerWaalsContact OE1-CD 3.27Å; E423-R426 WeakPolarHBondContact OE1-CD 3.48Å; E423-R426 IonicContact OE1-CZ 3.89Å; E423-R426 IonicContact OE1-NE 2.98Å; E423-R426 IonicContact OE1-NH1 3.3Å; E423-R426 PolarHBondContact OE1-NH1 3.42Å; E423-R426 IonicContact OE2-CZ 2.8Å; E423-R426 IonicContact OE2-NH1 3.95Å; E423-R426 PolarHBondContact OE2-NH1 2.67Å
424R90Very high86.2Confident114 Ų114114.1 Ų114.143%0.4355%0.554SS.*Hα-helixtrans-65.7-47.2169.9-66.5176.7-164.6132.52.8111E417 I420 Q421 R426 C427 V428E417-R424 IonicContact OE1-CZ 3.9Å; E417-R424 VanDerWaalsContact OE1-CZ 3.3Å; E417-R424 IonicContact OE1-NH1 2.59Å; E417-R424 PolarHBondContact OE1-NH1 2.88Å; E417-R424 IonicContact OE1-NH2 3.27Å; E417-R424 PolarHBondContact OE1-NH2 2.76Å; E417-R424 IonicContact OE2-NH2 2.63Å; I420-R424 VanDerWaalsContact CG2-NH2 3.34Å; I420-R424 WeakPolarHBondContact O-CG 3.44Å; I420-R424 PolarHBondContact O-N 3.13Å; Q421-R424 WeakPolarHBondContact O-CB 3.48Å; Q421-R424 PolarHBondContact O-N 3.45Å; R424-R426 PolarHBondContact O-N 2.85Å; R424-C427 CarbonylContact O-C 3.45Å; R424-C427 WeakPolarHBondContact O-CA 3.47Å; R424-C427 PolarHBondContact O-N 3.26Å; R424-V428 WeakPolarHBondContact O-CG2 3.42Å; R424-V428 PolarHBondContact O-N 3.08Å; R424-V428 VanDerWaalsContact O-N 3.08Å
425E87.8Confident86.2Confident96 Ų96107.4 Ų107.445%0.44953%0.531SS..Hα-helixtrans-65.4-23.4-178.4-75.1167.2-172.500113.3Q421 L422 C427Q421-E425 VanDerWaalsContact CG-OE1 3.3Å; Q421-E425 WeakPolarHBondContact CG-OE1 3.21Å; Q421-E425 PolarHBondContact NE2-OE1 3.01Å; Q421-E425 WeakPolarHBondContact O-CB 3.3Å; Q421-E425 VanDerWaalsContact O-CG 3.3Å; Q421-E425 WeakPolarHBondContact O-CG 3.38Å; Q421-E425 PolarHBondContact O-N 3.3Å; L422-E425 PolarHBondContact O-N 3.02Å; E425-C427 VanDerWaalsContact C-N 3.25Å; E425-C427 PolarHBondContact O-N 2.83Å
426R88.8Confident86Confident157 Ų157114.2 Ų114.259%0.59255%0.546SS*.THydrogen-bonded Turntrans-65-25.9167.2-77.4172.3-179.6166.26.2113.6L422 E423 R424L422-R426 HydrophobicContact CD2-CG 4.37Å; L422-R426 VanDerWaalsContact CD2-CZ 3.49Å; L422-R426 WeakPolarHBondContact O-CG 3.43Å; L422-R426 PolarHBondContact O-N 2.69Å; E423-R426 VanDerWaalsContact OE1-CD 3.27Å; E423-R426 WeakPolarHBondContact OE1-CD 3.48Å; E423-R426 IonicContact OE1-CZ 3.89Å; E423-R426 IonicContact OE1-NE 2.98Å; E423-R426 IonicContact OE1-NH1 3.3Å; E423-R426 PolarHBondContact OE1-NH1 3.42Å; E423-R426 IonicContact OE2-CZ 2.8Å; E423-R426 IonicContact OE2-NH1 3.95Å; E423-R426 PolarHBondContact OE2-NH1 2.67Å; R424-R426 PolarHBondContact O-N 2.85Å
427C84.2Confident85.5Confident117 Ų117114.7 Ų114.779%0.79155%0.546SS*.THydrogen-bonded Turntrans-106.7-3.8-178.6-63.50000113.5R424 E425R424-C427 CarbonylContact O-C 3.45Å; R424-C427 WeakPolarHBondContact O-CA 3.47Å; R424-C427 PolarHBondContact O-N 3.26Å; E425-C427 VanDerWaalsContact C-N 3.25Å; E425-C427 PolarHBondContact O-N 2.83Å
428V85.2Confident85.2Confident93 Ų93113.3 Ų113.356%0.56455%0.546SS*.SBendtrans-95.9137.9173.5172.60000109.2R424 Q430R424-V428 WeakPolarHBondContact O-CG2 3.42Å; R424-V428 PolarHBondContact O-N 3.08Å; R424-V428 VanDerWaalsContact O-N 3.08Å; V428-Q430 PolarHBondContact O-N 3.27Å
429L82.7Confident84.9Confident161 Ų161106.6 Ų106.684%0.84353%0.525SS*.  trans-69.9114177.3-164.1145.2000109.2
430Q78.2Confident84.2Confident134 Ų134105.4 Ų105.463%0.62653%0.526SS*.  trans-64.9146.1-175.4-65.9-177.2-8.500111.8V428 I432V428-Q430 PolarHBondContact O-N 3.27Å; Q430-I432 PolarHBondContact O-N 3.09Å; Q430-I432 VanDerWaalsContact O-N 3.11Å
431A78.5Confident83.6Confident75 Ų75112.1 Ų112.162%0.6255%0.549SS*.  trans-69105.8171.200000109.9Y433A431-Y433 HydrophobicContact CB-CE2 3.99Å
432I80.5Confident83Confident118 Ų118111.4 Ų111.461%0.60555%0.552SS**  trans-90.9112.4178.7-57.5175.8000108.9Q430 F434Q430-I432 PolarHBondContact O-N 3.09Å; Q430-I432 VanDerWaalsContact O-N 3.11Å; I432-F434 HydrophobicContact CG2-CE1 4.3Å
433Y83.1Confident82.2Confident111 Ų111114.5 Ų114.544%0.43558%0.576SS.*  trans-93.5119.9173.7-61.6-75.3000110A431 S438 I439A431-Y433 HydrophobicContact CB-CE2 3.99Å; Y433-S438 WeakPolarHBondContact CD1-O 3.49Å; Y433-S438 VanDerWaalsContact CE1-O 3.28Å; Y433-S438 WeakPolarHBondContact CE1-O 3.33Å; Y433-I439 HydrophobicContact CD1-CG1 4.35Å; Y433-I439 HydrophobicContact CD2-CG1 3.9Å; Y433-I439 HydrophobicContact CG-CB 4.36Å; Y433-I439 HydrophobicContact CG-CG1 3.68Å
434F80.6Confident81.6Confident119 Ų119117.7 Ų117.752%0.52259%0.591SS.*SBendtrans-78.3-18.9-173.4-62.9-76000114I432 S438 V499I432-F434 HydrophobicContact CG2-CE1 4.3Å; F434-S438 PolarHBondContact N-OG 3.22Å; F434-V499 HydrophobicContact CD1-CG2 4.05Å; F434-V499 HydrophobicContact CE1-CG2 3.68Å; F434-V499 HydrophobicContact CZ-CG2 4.28Å
435T83.7Confident80.8Confident69 Ų69120.6 Ų120.642%0.42361%0.61SS.*SBendtrans-140.3163.5173.577.60000110E437 S438T435-E437 WeakPolarHBondContact CB-OE2 3.27Å; T435-E437 PolarHBondContact O-N 2.86Å; T435-E437 PolarHBondContact OG1-N 3.23Å; T435-E437 PolarHBondContact OG1-OE2 3.4Å; T435-S438 PolarHBondContact N-OG 3.36Å; T435-S438 VanDerWaalsContact N-OG 3.15Å; T435-S438 PolarHBondContact O-N 2.86Å; T435-S438 PolarHBondContact O-OG 3.49Å; T435-S438 PolarHBondContact OG1-N 3.38Å
436R84.3Confident80.1Confident208 Ų208121.9 Ų121.979%0.78563%0.626SS**G310 helixtrans-67.4-26.6178.4-173.1174.4175.8180-1.7112.5
437E82.4Confident79.4Confident136 Ų136122.1 Ų122.164%0.63664%0.639SS**G310 helixtrans-75.7-22.6175.5-49.382.3-172.100113.2T435 I439T435-E437 WeakPolarHBondContact CB-OE2 3.27Å; T435-E437 PolarHBondContact O-N 2.86Å; T435-E437 PolarHBondContact OG1-N 3.23Å; T435-E437 PolarHBondContact OG1-OE2 3.4Å; E437-I439 VanDerWaalsContact C-N 3.29Å
438S82.3Confident78.8Confident55 Ų55121.1 Ų121.139%0.38564%0.64SS.*G310 helixtrans-80-8.9177.554.20000113.8Y433 F434 T435Y433-S438 WeakPolarHBondContact CD1-O 3.49Å; Y433-S438 VanDerWaalsContact CE1-O 3.28Å; Y433-S438 WeakPolarHBondContact CE1-O 3.33Å; F434-S438 PolarHBondContact N-OG 3.22Å; T435-S438 PolarHBondContact N-OG 3.36Å; T435-S438 VanDerWaalsContact N-OG 3.15Å; T435-S438 PolarHBondContact O-N 2.86Å; T435-S438 PolarHBondContact O-OG 3.49Å; T435-S438 PolarHBondContact OG1-N 3.38Å
439I83Confident78.4Confident80 Ų80125 Ų12541%0.4165%0.652SS.*SBendtrans-75.9119.4169.8-53.6170.9000108.3Y433 E437 Y441Y433-I439 HydrophobicContact CD1-CG1 4.35Å; Y433-I439 HydrophobicContact CD2-CG1 3.9Å; Y433-I439 HydrophobicContact CG-CB 4.36Å; Y433-I439 HydrophobicContact CG-CG1 3.68Å; E437-I439 VanDerWaalsContact C-N 3.29Å; I439-Y441 PolarHBondContact O-N 3.36Å
440P75.6Confident78.1Confident74 Ų74123.9 Ų123.948%0.48165%0.651SS.*  trans-64.8131.4178.327.4-34.3000110.8S442P440-S442 PolarHBondContact O-N 3.42Å
441Y75.9Confident77.6Confident204 Ų204122.7 Ų122.780%0.865%0.653SS**SBendtrans-70.5-9.7-176.7-66.5-79.4000114.3I439I439-Y441 PolarHBondContact O-N 3.36Å
442S75.4Confident77.5Confident58 Ų58127.1 Ų127.141%0.40666%0.661SS.*SBendtrans-138.3147.9173.2-170.50000109.3P440 E444P440-S442 PolarHBondContact O-N 3.42Å; S442-E444 PolarHBondContact O-N 3.11Å; S442-E444 PolarHBondContact OG-N 2.9Å
443P74.2Confident76.8Confident136 Ų136130.8 Ų130.888%0.88368%0.675SS**SBendtrans-79.58168.835.4-37.4000113.7
444E78Confident76.5Confident156 Ų156132.9 Ų132.973%0.72969%0.692SS**SBendtrans-56.8144.1165.9-142.978.5-14200109.9S442S442-E444 PolarHBondContact O-N 3.11Å; S442-E444 PolarHBondContact OG-N 2.9Å
445E73.2Confident76.4Confident175 Ų175130.9 Ų130.982%0.81870%0.697SS**PPolyproline II helixtrans-64.6139.8168-66.2-174.7163.700109D447E445-D447 PolarHBondContact O-N 3.2Å
446P72.5Confident75.9Confident123 Ų123133.5 Ų133.580%0.79972%0.715SS**PPolyproline II helixtrans-62133.118025.6-33.6000110.3A448P446-A448 PolarHBondContact O-N 3.26Å
447D74.6Confident75.6Confident162 Ų162131.3 Ų131.387%0.86672%0.719SS**PPolyproline II helixtrans-48.5134.8177.4-77.7-55.5000110.8E445 E449E445-D447 PolarHBondContact O-N 3.2Å; D447-E449 PolarHBondContact O-N 3.39Å
448A72Confident75.3Confident97 Ų97132.7 Ų132.780%0.80273%0.73SS**  trans-61.799.9-171.200000111.8P446 V450P446-A448 PolarHBondContact O-N 3.26Å; A448-V450 PolarHBondContact O-N 3.28Å
449E75.3Confident74.9Confident175 Ų175137 Ų13782%0.81875%0.748SS**  trans-64.5119.1-176.2-156.2172.3-136.300110D447 V451D447-E449 PolarHBondContact O-N 3.39Å; E449-V451 PolarHBondContact O-N 3.45Å
450V76.1Confident74.6Confident137 Ų137137.6 Ų137.683%0.8376%0.757SS**  trans-78.177.7-177.4-174.70000109.2A448 E452A448-V450 PolarHBondContact O-N 3.28Å; V450-E452 PolarHBondContact O-N 3.46Å
451V69.5Low74.2Confident108 Ų108142.3 Ų142.366%0.65578%0.777SS**  trans-65.6112.8172.9-179.40000108.7E449 H453E449-V451 PolarHBondContact O-N 3.45Å; V451-H453 PolarHBondContact O-N 3.3Å
452E75Confident73.7Confident168 Ų168138.7 Ų138.779%0.78577%0.771SS**  trans-60.2127171-69.4-165142.500109.7V450 I454V450-E452 PolarHBondContact O-N 3.46Å; E452-I454 VanDerWaalsContact C-N 3.32Å; E452-I454 PolarHBondContact O-N 3.42Å
453H65.1Low73Confident195 Ų195142.4 Ų142.490%0.90379%0.786SS**  trans-70.285.5179.7-81.7-83.3000111.3V451 A455V451-H453 PolarHBondContact O-N 3.3Å; H453-A455 PolarHBondContact O-N 3.15Å
454I77.5Confident72.4Confident156 Ų156140.9 Ų140.980%0.877%0.771SS**PPolyproline II helixtrans-59.6132165.1-55.4176.9000108.1E452E452-I454 VanDerWaalsContact C-N 3.32Å; E452-I454 PolarHBondContact O-N 3.42Å
455A78.4Confident71.4Confident76 Ų76138.6 Ų138.663%0.62877%0.767SS**PPolyproline II helixtrans-60.7141.3178.100000110.9H453 L457H453-A455 PolarHBondContact O-N 3.15Å; A455-L457 PolarHBondContact O-N 3.07Å
456P73.7Confident70.3Confident124 Ų124134.4 Ų134.481%0.80576%0.763SS**PPolyproline II helixtrans-55134.7176.3-25.334.6000111.8
457L77Confident69.2Low163 Ų163135.7 Ų135.785%0.85375%0.752SS**PPolyproline II helixtrans-73.5124.8168.4-71.9163.1000108.6A455 I459A455-L457 PolarHBondContact O-N 3.07Å; L457-I459 PolarHBondContact O-N 3.48Å; L457-I459 VanDerWaalsContact O-N 3.15Å
458D76.7Confident67.5Low164 Ų164136.4 Ų136.488%0.87775%0.751SS**  trans-61.9114.8175.1-78.7-43.1000110.2P460D458-P460 WeakPolarHBondContact O-CD 3.45Å
459I73.8Confident65.8Low147 Ų147137 Ų13775%0.75475%0.749SS**  trans-79.8121.3173.4-55.9176.1000107.5L457 L461L457-I459 PolarHBondContact O-N 3.48Å; L457-I459 VanDerWaalsContact O-N 3.15Å; I459-L461 PolarHBondContact O-N 3.01Å
460P76Confident64.1Low92 Ų92134.7 Ų134.760%0.59775%0.747SS**  trans-57.5132.9174.7-24.234.8000111.1D458 D462D458-P460 WeakPolarHBondContact O-CD 3.45Å; P460-D462 VanDerWaalsContact C-N 3.28Å; P460-D462 PolarHBondContact O-N 3.06Å
461L67.3Low62.5Low173 Ų173134.7 Ų134.791%0.90674%0.742SS**SBendtrans-76.8-13.8-179.4-79.587.8000113.7I459I459-L461 PolarHBondContact O-N 3.01Å
462D67.3Low60.9Low128 Ų128138.4 Ų138.468%0.68475%0.75SS**SBendtrans-101120177.7-66.3-57.7000110.3P460 L464P460-D462 VanDerWaalsContact C-N 3.28Å; P460-D462 PolarHBondContact O-N 3.06Å; D462-L464 HydrophobicContact CB-CD2 4.37Å; D462-L464 WeakPolarHBondContact O-CD2 3.33Å; D462-L464 PolarHBondContact O-N 3.18Å
463D59.9Low58.9Low135 Ų135135.8 Ų135.872%0.72275%0.75SS**  trans-64.6101.6170-98-45.4000109.7T465 A466D463-T465 PolarHBondContact O-N 3.45Å; D463-A466 PolarHBondContact O-N 2.98Å
464L61.4Low57.7Low105 Ų105131.8 Ų131.855%0.5574%0.744SS.*THydrogen-bonded Turntrans-67.42.1-176.6-49.4-176.7000113.9D462 A466 Y467D462-L464 HydrophobicContact CB-CD2 4.37Å; D462-L464 WeakPolarHBondContact O-CD2 3.33Å; D462-L464 PolarHBondContact O-N 3.18Å; L464-A466 VanDerWaalsContact C-N 3.32Å; L464-Y467 HydrophobicContact CB-CE1 4.41Å; L464-Y467 HydrophobicContact CD2-CE1 4.11Å
465T58Low55.8Low108 Ų108133.3 Ų133.366%0.66375%0.748SS**THydrogen-bonded Turntrans-83.2-4.1178.755.20000113.7D463D463-T465 PolarHBondContact O-N 3.45Å
466A49.8Very low54.1Low87 Ų87135.7 Ų135.772%0.71975%0.754SS**SBendtrans-99.7-5.5-165.300000116.9D463 L464D463-A466 PolarHBondContact O-N 2.98Å; L464-A466 VanDerWaalsContact C-N 3.32Å
467Y48.1Very low52.2Low149 Ų149134.5 Ų134.558%0.58474%0.741SS**  trans-134.46.3-165.962.4-106.7000118.3L464 S469L464-Y467 HydrophobicContact CB-CE1 4.41Å; L464-Y467 HydrophobicContact CD2-CE1 4.11Å; Y467-S469 PolarHBondContact O-N 3.01Å
468E39.8Very low50.6Low177 Ų177131.8 Ų131.883%0.82774%0.736SS**  trans-92.480.2177.5-64.8-153.8147.500113.4
469S36.3Very low49Very low110 Ų110133.7 Ų133.777%0.76974%0.739SS**  trans-111.661.4174.969.10000113.1Y467Y467-S469 PolarHBondContact O-N 3.01Å
470T38.5Very low47.6Very low127 Ų127134.6 Ų134.678%0.77973%0.733SS**SBendtrans-150.1117.616916.70000113.1
471D42.8Very low46.4Very low136 Ų136138 Ų13873%0.72775%0.746SS**  trans45.368.6145-60.6-44.3000121.8
472K36.1Very low45.6Very low187 Ų187136.6 Ų136.681%0.81374%0.738SS**  56.9126.5126.4-62.6171.5-176.4168.60120
473S32.7Very low44.6Very low113 Ų113133.9 Ų133.979%0.7973%0.726SS**  trans91.5146.6169.579.20000115.7
474S41.5Very low44.2Very low111 Ų111132.9 Ų132.978%0.77672%0.72SS**  trans58.2130.6-146.163.70000112.1
475E37.6Very low44Very low188 Ų188135.1 Ų135.188%0.87973%0.725SS**  cis99.414938-78.5-161.711400113.6
476V41Very low44.1Very low125 Ų125132.3 Ų132.376%0.75871%0.706SS**  trans79.379.3175.4-161.40000118.1
477N33.6Very low44.9Very low100 Ų100133.7 Ų133.754%0.53572%0.718SS.*  44.8104.7129-53.7-45.1000120.6R480N477-R480 VanDerWaalsContact OD1-CD 3.29Å; N477-R480 WeakPolarHBondContact OD1-CD 3.36Å; N477-R480 PolarHBondContact OD1-NH1 2.93Å
478S45Very low45.8Very low106 Ų106134 Ų13474%0.74173%0.726SS**SBendtrans-135.4-18.3154.3-144.60000115.2R480S478-R480 PolarHBondContact O-N 2.93Å
479E43.3Very low46.4Very low203 Ų203127.8 Ų127.895%0.94971%0.709SS**SBendtrans-88.713.4-178.3-57.5-172.9137.100115.4
480R43.9Very low47.2Very low167 Ų167126.6 Ų126.663%0.6370%0.695SS**  trans-107.41.2-151.4-139.8169.7-174.8161.80.4117.1N477 S478 L482N477-R480 VanDerWaalsContact OD1-CD 3.29Å; N477-R480 WeakPolarHBondContact OD1-CD 3.36Å; N477-R480 PolarHBondContact OD1-NH1 2.93Å; S478-R480 PolarHBondContact O-N 2.93Å; R480-L482 PolarHBondContact O-N 3.19Å
481L50.2Low47.8Very low164 Ų164125.1 Ų125.186%0.85969%0.687SS**SBendtrans-81.2-12.1-163-109.7169.7000117.1
482L50.7Low48Very low142 Ų142124.4 Ų124.474%0.74368%0.679SS**SBendtrans-129.20.2-177.9-67.7175.7000115.1R480R480-L482 PolarHBondContact O-N 3.19Å
483V45.4Very low48.7Very low71 Ų71118.9 Ų118.943%0.4366%0.657SS.*EExtended strand (participates in β ladder)trans-138.1104.2177.6-1760000109.8P491V483-P491 HydrophobicContact CG1-CB 3.7Å
484L53.1Low49.7Very low115 Ų115117.4 Ų117.460%0.60265%0.647SS**EExtended strand (participates in β ladder)trans-81.5137.1166.1-74.8166.9000108.5Q492L484-Q492 PolarHBondContact N-O 3.14Å; L484-Q492 WeakPolarHBondContact O-CA 3.33Å; L484-Q492 WeakPolarHBondContact O-CB 3.42Å; L484-Q492 PolarHBondContact O-N 3.15Å; L484-Q492 VanDerWaalsContact O-O 3.13Å
485K55.7Low50.4Low152 Ų152116.1 Ų116.166%0.66163%0.631SS**EExtended strand (participates in β ladder)trans-98.7136.1170.8-69.4-179.2-179176.10108.9N490K485-N490 VanDerWaalsContact CA-O 3.28Å; K485-N490 WeakPolarHBondContact CA-O 3.48Å
486D61.5Low51.6Low48 Ų48110.6 Ų110.626%0.25761%0.608SS.*PPolyproline II helixtrans-69.2173173.371.69.7000111.4M488 G489 N490D486-M488 PolarHBondContact O-N 3.15Å; D486-M488 VanDerWaalsContact OD1-CA 3.27Å; D486-M488 WeakPolarHBondContact OD1-CA 3.49Å; D486-M488 WeakPolarHBondContact OD1-CB 3.03Å; D486-M488 PolarHBondContact OD1-N 3.1Å; D486-M488 WeakPolarHBondContact OD2-CE 3.28Å; D486-G489 PolarHBondContact O-N 3.32Å; D486-G489 PolarHBondContact OD1-N 3.26Å; D486-N490 PolarHBondContact N-O 2.92Å; D486-N490 VanDerWaalsContact N-O 3.1Å; D486-N490 PolarHBondContact OD1-N 3.34Å; D486-N490 PolarHBondContact OD1-ND2 3.4Å; D486-N490 WeakPolarHBondContact OD2-CB 3.5Å; D486-N490 PolarHBondContact OD2-ND2 3.42Å
487A65.9Low53.2Low116 Ų116109.1 Ų109.196%0.95960%0.601SS**THydrogen-bonded Turntrans-65.9-0.8176.800000114.2
488M66.7Low55Low156 Ų156110.6 Ų110.677%0.76860%0.604SS**THydrogen-bonded Turntrans-112.13.2176.7-60.3177-6900112D486D486-M488 PolarHBondContact O-N 3.15Å; D486-M488 VanDerWaalsContact OD1-CA 3.27Å; D486-M488 WeakPolarHBondContact OD1-CA 3.49Å; D486-M488 WeakPolarHBondContact OD1-CB 3.03Å; D486-M488 PolarHBondContact OD1-N 3.1Å; D486-M488 WeakPolarHBondContact OD2-CE 3.28Å
489G53.4Low56.3Low46 Ų46107.1 Ų107.147%0.47458%0.578SS.*SBendtrans87.70.6176.300000115.9D486D486-G489 PolarHBondContact O-N 3.32Å; D486-G489 PolarHBondContact OD1-N 3.26Å
490N52.3Low57.6Low86 Ų8697.7 Ų97.746%0.4654%0.536SS..  trans-76.6140.4-177.5-55.3-70.5000111.5K485 D486 Q492K485-N490 VanDerWaalsContact CA-O 3.28Å; K485-N490 WeakPolarHBondContact CA-O 3.48Å; D486-N490 PolarHBondContact N-O 2.92Å; D486-N490 VanDerWaalsContact N-O 3.1Å; D486-N490 PolarHBondContact OD1-N 3.34Å; D486-N490 PolarHBondContact OD1-ND2 3.4Å; D486-N490 WeakPolarHBondContact OD2-CB 3.5Å; D486-N490 PolarHBondContact OD2-ND2 3.42Å; N490-Q492 PolarHBondContact O-N 2.9Å
491P51.3Low59.1Low95 Ų9594.3 Ų94.362%0.61753%0.53SS*.EExtended strand (participates in β ladder)trans-74.2109.6176.130-33.4000111.2V483V483-P491 HydrophobicContact CG1-CB 3.7Å
492Q46.5Very low60.3Low121 Ų12191.7 Ų91.757%0.56552%0.516SS*.EExtended strand (participates in β ladder)trans-95.3113.9172.1-169.7174.91.800110L484 N490L484-Q492 PolarHBondContact N-O 3.14Å; L484-Q492 WeakPolarHBondContact O-CA 3.33Å; L484-Q492 WeakPolarHBondContact O-CB 3.42Å; L484-Q492 PolarHBondContact O-N 3.15Å; L484-Q492 VanDerWaalsContact O-O 3.13Å; N490-Q492 PolarHBondContact O-N 2.9Å
493M51.1Low61.6Low71 Ų7188.1 Ų88.135%0.3550%0.5SS..EExtended strand (participates in β ladder)trans-63.4130.9166.157.3-165.863.300109.9L495 A500M493-L495 PolarHBondContact O-N 3.44Å; M493-L495 HydrophobicContact SD-CD1 4.44Å; M493-A500 HydrophobicContact CG-CB 3.91Å; M493-A500 HydrophobicContact SD-CB 3.72Å
494S53.4Low62.9Low83 Ų8390 Ų9058%0.5850%0.503SS*.SBendtrans-79.158.5-179.360.40000112.1
495L57.9Low63.9Low83 Ų8387.3 Ų87.344%0.43549%0.493SS..SBendtrans-120.3149.3173.5-61.4173.8000108.2M493 V499 A500 V503M493-L495 PolarHBondContact O-N 3.44Å; M493-L495 HydrophobicContact SD-CD1 4.44Å; L495-V499 HydrophobicContact CB-CB 4.36Å; L495-V499 HydrophobicContact CB-CG1 4.35Å; L495-V499 HydrophobicContact CD1-CG1 4.32Å; L495-A500 HydrophobicContact CB-CB 4.26Å; L495-V503 HydrophobicContact CD1-CG2 4.36Å
496N62.4Low64.6Low73 Ų7385.4 Ų85.439%0.3949%0.49SS..  trans-47.6133.3168.5168.6-15.7000108.6E498 V499 A500N496-E498 PolarHBondContact O-N 3.48Å; N496-E498 PolarHBondContact OD1-N 3.35Å; N496-V499 HydrophobicContact CB-CB 4.47Å; N496-V499 HydrophobicContact CB-CG2 4.12Å; N496-V499 CarbonylContact O-C 3.57Å; N496-V499 WeakPolarHBondContact O-CA 3.41Å; N496-V499 WeakPolarHBondContact O-CB 3.47Å; N496-V499 PolarHBondContact O-N 3.12Å; N496-A500 PolarHBondContact O-N 3.25Å
497P73.5Confident65.1Low94 Ų9485.3 Ų85.361%0.6150%0.495SS*.Hα-helixtrans-50.3-31.3-177.218.1-32.8000114.6N501P497-N501 VanDerWaalsContact O-CB 3.32Å; P497-N501 WeakPolarHBondContact O-CB 3.36Å; P497-N501 PolarHBondContact O-N 3.41Å; P497-N501 PolarHBondContact O-ND2 2.66Å
498E70.9Confident65.1Low131 Ų13182.4 Ų82.461%0.61247%0.472SS*.Hα-helixtrans-66.5-46.6173.6-62.2-175.2140.200112N496 N501 L502N496-E498 PolarHBondContact O-N 3.48Å; N496-E498 PolarHBondContact OD1-N 3.35Å; E498-N501 PolarHBondContact O-N 3.15Å; E498-L502 WeakPolarHBondContact O-CB 3.44Å; E498-L502 PolarHBondContact O-N 3.48Å
499V72.5Confident64.9Low32 Ų3280.8 Ų80.819%0.19447%0.466CS..Hα-helixtrans-66.4-40175.7-176.80000110.9F434 L495 N496 N501 L502 V503F434-V499 HydrophobicContact CD1-CG2 4.05Å; F434-V499 HydrophobicContact CE1-CG2 3.68Å; F434-V499 HydrophobicContact CZ-CG2 4.28Å; L495-V499 HydrophobicContact CB-CB 4.36Å; L495-V499 HydrophobicContact CB-CG1 4.35Å; L495-V499 HydrophobicContact CD1-CG1 4.32Å; N496-V499 HydrophobicContact CB-CB 4.47Å; N496-V499 HydrophobicContact CB-CG2 4.12Å; N496-V499 CarbonylContact O-C 3.57Å; N496-V499 WeakPolarHBondContact O-CA 3.41Å; N496-V499 WeakPolarHBondContact O-CB 3.47Å; N496-V499 PolarHBondContact O-N 3.12Å; V499-N501 VanDerWaalsContact C-N 3.31Å; V499-N501 PolarHBondContact O-N 3.02Å; V499-L502 PolarHBondContact O-N 3.29Å; V499-V503 HydrophobicContact CG1-CG2 4.41Å; V499-V503 WeakPolarHBondContact O-CB 3.41Å; V499-V503 VanDerWaalsContact O-CG2 3.32Å; V499-V503 WeakPolarHBondContact O-CG2 3.45Å; V499-V503 PolarHBondContact O-N 3.42Å
500A71.2Confident64.5Low6 Ų685.2 Ų85.25%0.0548%0.478CS..Hα-helixtrans-61-40174.200000111.7M493 L495 N496 K504M493-A500 HydrophobicContact CG-CB 3.91Å; M493-A500 HydrophobicContact SD-CB 3.72Å; L495-A500 HydrophobicContact CB-CB 4.26Å; N496-A500 PolarHBondContact O-N 3.25Å; A500-K504 WeakPolarHBondContact O-CB 3.35Å; A500-K504 WeakPolarHBondContact O-CD 3.09Å; A500-K504 WeakPolarHBondContact O-CG 3.49Å; A500-K504 PolarHBondContact O-N 2.85Å
501N75.5Confident64.3Low96 Ų9686.4 Ų86.451%0.51349%0.489SS..Hα-helixtrans-73.9-36.3176-71.2-19.8000112.2P497 E498 V499 K504 S505P497-N501 VanDerWaalsContact O-CB 3.32Å; P497-N501 WeakPolarHBondContact O-CB 3.36Å; P497-N501 PolarHBondContact O-N 3.41Å; P497-N501 PolarHBondContact O-ND2 2.66Å; E498-N501 PolarHBondContact O-N 3.15Å; V499-N501 VanDerWaalsContact C-N 3.31Å; V499-N501 PolarHBondContact O-N 3.02Å; N501-K504 PolarHBondContact O-N 3.03Å; N501-S505 WeakPolarHBondContact O-CB 3.29Å; N501-S505 PolarHBondContact O-N 2.99Å; N501-S505 PolarHBondContact O-OG 2.81Å
502L76.2Confident63.8Low108 Ų10885.7 Ų85.757%0.56549%0.486SS*.Hα-helixtrans-59.9-51.3172-172.571.8000110.6E498 V499 K504 S505 L506E498-L502 WeakPolarHBondContact O-CB 3.44Å; E498-L502 PolarHBondContact O-N 3.48Å; V499-L502 PolarHBondContact O-N 3.29Å; L502-K504 PolarHBondContact O-N 3.14Å; L502-S505 PolarHBondContact O-N 3.02Å; L502-S505 VanDerWaalsContact O-N 3.12Å; L502-S505 PolarHBondContact O-OG 3.48Å; L502-L506 PolarHBondContact O-N 2.93Å
503V76.9Confident63.2Low68 Ų6884.3 Ų84.341%0.41249%0.49SS..Hα-helixtrans-60.5-42.5177.4170.60000111.6L495 V499 S505 L506 A507L495-V503 HydrophobicContact CD1-CG2 4.36Å; V499-V503 HydrophobicContact CG1-CG2 4.41Å; V499-V503 WeakPolarHBondContact O-CB 3.41Å; V499-V503 VanDerWaalsContact O-CG2 3.32Å; V499-V503 WeakPolarHBondContact O-CG2 3.45Å; V499-V503 PolarHBondContact O-N 3.42Å; V503-S505 PolarHBondContact O-N 3.39Å; V503-L506 PolarHBondContact O-N 3.2Å; V503-A507 VanDerWaalsContact O-CB 3.31Å; V503-A507 WeakPolarHBondContact O-CB 3.45Å; V503-A507 PolarHBondContact O-N 3.18Å
504K73.9Confident62.4Low111 Ų11187.3 Ų87.348%0.48352%0.515SS..Hα-helixtrans-61-42.7172.9-74.2166.1-170.1171.60112.1A500 N501 L502 A507 A508A500-K504 WeakPolarHBondContact O-CB 3.35Å; A500-K504 WeakPolarHBondContact O-CD 3.09Å; A500-K504 WeakPolarHBondContact O-CG 3.49Å; A500-K504 PolarHBondContact O-N 2.85Å; N501-K504 PolarHBondContact O-N 3.03Å; L502-K504 PolarHBondContact O-N 3.14Å; K504-A507 PolarHBondContact O-N 3.29Å; K504-A508 WeakPolarHBondContact O-CB 3.23Å; K504-A508 PolarHBondContact O-N 3.22Å
505S73.7Confident61.5Low58 Ų5887.8 Ų87.841%0.40652%0.518SS..Hα-helixtrans-67.2-37.5178.976.70000112.2N501 L502 V503 N509N501-S505 WeakPolarHBondContact O-CB 3.29Å; N501-S505 PolarHBondContact O-N 2.99Å; N501-S505 PolarHBondContact O-OG 2.81Å; L502-S505 PolarHBondContact O-N 3.02Å; L502-S505 VanDerWaalsContact O-N 3.12Å; L502-S505 PolarHBondContact O-OG 3.48Å; V503-S505 PolarHBondContact O-N 3.39Å; S505-N509 PolarHBondContact O-N 2.6Å; S505-N509 VanDerWaalsContact O-N 3.16Å; S505-N509 PolarHBondContact O-ND2 3.13Å
506L70.1Confident60.4Low111 Ų11191.2 Ų91.258%0.58154%0.537SS*.Hα-helixtrans-67-47.4175-165.673000110.6L502 V503 A508 N509 L510L502-L506 PolarHBondContact O-N 2.93Å; V503-L506 PolarHBondContact O-N 3.2Å; L506-A508 VanDerWaalsContact C-N 3.32Å; L506-A508 PolarHBondContact O-N 2.87Å; L506-N509 PolarHBondContact O-N 3.14Å; L506-L510 HydrophobicContact CD2-CD1 4.48Å; L506-L510 HydrophobicContact CG-CD1 4.01Å; L506-L510 WeakPolarHBondContact O-CB 3.42Å; L506-L510 VanDerWaalsContact O-CG 3.28Å; L506-L510 WeakPolarHBondContact O-CG 3.26Å; L506-L510 PolarHBondContact O-N 3Å
507A71.6Confident59.2Low46 Ų4696 Ų9638%0.3856%0.561SS.*Hα-helixtrans-61-38.1176.600000112.6V503 K504 L510 T511V503-A507 VanDerWaalsContact O-CB 3.31Å; V503-A507 WeakPolarHBondContact O-CB 3.45Å; V503-A507 PolarHBondContact O-N 3.18Å; K504-A507 PolarHBondContact O-N 3.29Å; A507-L510 PolarHBondContact O-N 3.41Å; A507-T511 WeakPolarHBondContact O-CB 3.38Å; A507-T511 WeakPolarHBondContact O-CG2 3.48Å; A507-T511 PolarHBondContact O-N 2.85Å; A507-T511 PolarHBondContact O-OG1 3.36Å
508A66.9Low57.3Low56 Ų5697.5 Ų97.546%0.46357%0.568SS.*Hα-helixtrans-63.8-44.1175.500000112.2K504 L506 L510 T511 S512K504-A508 WeakPolarHBondContact O-CB 3.23Å; K504-A508 PolarHBondContact O-N 3.22Å; L506-A508 VanDerWaalsContact C-N 3.32Å; L506-A508 PolarHBondContact O-N 2.87Å; A508-L510 VanDerWaalsContact C-N 3.34Å; A508-T511 PolarHBondContact O-N 3.44Å; A508-T511 PolarHBondContact O-OG1 3.49Å; A508-S512 PolarHBondContact O-N 3.25Å
509N61.1Low55.7Low121 Ų12199.7 Ų99.765%0.64758%0.579SS**Hα-helixtrans-71.3-26.9176.5-75-78.6000113.2S505 L506 S512S505-N509 PolarHBondContact O-N 2.6Å; S505-N509 VanDerWaalsContact O-N 3.16Å; S505-N509 PolarHBondContact O-ND2 3.13Å; L506-N509 PolarHBondContact O-N 3.14Å; N509-S512 PolarHBondContact O-OG 3.13Å
510L46.1Very low54Low139 Ų139108 Ų10873%0.72861%0.612SS**Hα-helixtrans-80-18.3175.6-72169.4000113.6L506 A507 A508L506-L510 HydrophobicContact CD2-CD1 4.48Å; L506-L510 HydrophobicContact CG-CD1 4.01Å; L506-L510 WeakPolarHBondContact O-CB 3.42Å; L506-L510 VanDerWaalsContact O-CG 3.28Å; L506-L510 WeakPolarHBondContact O-CG 3.26Å; L506-L510 PolarHBondContact O-N 3Å; A507-L510 PolarHBondContact O-N 3.41Å; A508-L510 VanDerWaalsContact C-N 3.34Å
511T48.2Very low52.4Low111 Ų111116.3 Ų116.368%0.68165%0.652SS**Hα-helixtrans-103.8-10.8-177.9500000113.9A507 A508 S513A507-T511 WeakPolarHBondContact O-CB 3.38Å; A507-T511 WeakPolarHBondContact O-CG2 3.48Å; A507-T511 PolarHBondContact O-N 2.85Å; A507-T511 PolarHBondContact O-OG1 3.36Å; A508-T511 PolarHBondContact O-N 3.44Å; A508-T511 PolarHBondContact O-OG1 3.49Å; T511-S513 PolarHBondContact O-N 3.2Å; T511-S513 VanDerWaalsContact O-N 3.09Å
512S40.7Very low50.6Low80 Ų80117.4 Ų117.456%0.55967%0.665SS**  trans-74.592.5172.655.70000111.9A508 N509A508-S512 PolarHBondContact O-N 3.25Å; N509-S512 PolarHBondContact O-OG 3.13Å
513S33.6Very low48.9Very low92 Ų92117.2 Ų117.264%0.64367%0.67SS**  trans-67.3147.3167.352.70000111.2T511 S515T511-S513 PolarHBondContact O-N 3.2Å; T511-S513 VanDerWaalsContact O-N 3.09Å; S513-S515 VanDerWaalsContact C-N 3.28Å; S513-S515 PolarHBondContact O-N 2.97Å
514P34.3Very low46.9Very low135 Ų135121 Ų12188%0.87768%0.683SS**SBendtrans-82.567.3-171.334-37.3000112.9
515S33.6Very low45.1Very low93 Ų93123.7 Ų123.765%0.6570%0.699SS**  trans-137.1149.7167.8-69.20000110.1S513S513-S515 VanDerWaalsContact C-N 3.28Å; S513-S515 PolarHBondContact O-N 2.97Å
516D34.7Very low43.3Very low155 Ų155126.8 Ų126.883%0.82971%0.711SS**  trans56.275.5167.8-57.1-37.4000118.2
517L37.7Very low42.1Very low173 Ų173126.9 Ų126.991%0.90672%0.719SS**  trans-150.488.1132.2-142.483.3000113.9
518V34.7Very low40.4Very low125 Ų125130.8 Ų130.876%0.75874%0.738SS**  trans-96.6148161.5164.30000108.6
519Q37Very low38.8Very low178 Ų178135.5 Ų135.583%0.83275%0.754SS**  trans64.582.1173.7-69.2163.212.800118
520K36.4Very low37.5Very low207 Ų207135 Ų13590%0.976%0.756SS**  -170.5123111.9-105.9170.9-179.4176.20114.3
521M37.3Very low36.8Very low180 Ų180135 Ų13589%0.88776%0.761SS**  trans-125.9162157.6-113.8-169.9-175.900106.3
522P38.3Very low36.1Very low119 Ų119135.7 Ų135.777%0.77377%0.766SS**  -152.4-158.162.839-13.7000113.9
523P39.4Very low35.8Very low103 Ų103136.6 Ų136.667%0.66977%0.772SS**  -135.6166.3-66.240.5-25.4000116.4
524Q36.2Very low35.8Very low147 Ų147138.2 Ų138.269%0.68778%0.782SS**  trans26.3144.4146.1-61.7-168.713.200124.2N526Q524-N526 PolarHBondContact OE1-ND2 3.16Å
525M35Very low35.6Very low169 Ų169136.3 Ų136.383%0.83377%0.772SS**  -147.8158.4117.6-84.3-57.9104.200109.6
526N35.6Very low35.6Very low122 Ų122138.3 Ų138.365%0.65278%0.775SS**  trans-143.1-148.2-162.9-78-41.6000111.8Q524Q524-N526 PolarHBondContact OE1-ND2 3.16Å
527P45.2Very low35.6Very low114 Ų114140.8 Ų140.874%0.7478%0.779SS**  -129.3-138.7-79.139.6-21.9000113.5
528V36.1Very low35.2Very low128 Ų128139.4 Ų139.478%0.77677%0.773SS**  trans85.6139.7168.6-1700000113.7
529L34.3Very low35.4Very low154 Ų154140.3 Ų140.381%0.80677%0.772SS**  cis-132.1-168.46.5-128.3169.3000106.9
530T33.3Very low35.5Very low112 Ų112139.1 Ų139.169%0.68777%0.767SS**  cis-152154.55.8-54.20000109.5
531T30.4Very low35.3Very low137 Ų137135.5 Ų135.584%0.8476%0.764SS**  trans-146.7154.8169.948.60000114.6
532T35Very low35.4Very low126 Ų126134.1 Ų134.177%0.77376%0.761SS**  trans-155115.3167.934.10000107.1
533S33.5Very low35Very low99 Ų99132.6 Ų132.669%0.69276%0.758SS**  65.3132.68576.30000113.6
534C33.2Very low34.9Very low127 Ų127137.6 Ų137.686%0.85877%0.77SS**  cis-138.5-172.622.2-63.30000113.3
535S31.4Very low35Very low94 Ų94136.1 Ų136.166%0.65777%0.77SS**  trans-120.1178.9-174.3570000114.3
536D32.4Very low34.9Very low135 Ų135133.8 Ų133.872%0.72277%0.768SS**  trans68.3123155.5-56.4-57.6000121.2
537F34.6Very low34.9Very low207 Ų207134.4 Ų134.491%0.90878%0.776SS**  trans-148.3135.4132.6-101.7-72.7000110.3
538N30.5Very low34.2Very low145 Ų145134.1 Ų134.178%0.77578%0.777SS**  trans-146.6122.6-179.2176.3-6.4000108.4
539L38.1Very low34.2Very low143 Ų143133.6 Ų133.675%0.74978%0.779SS**  trans-140.9111.3178.3-76.6178000113
540Q38.7Very low34.1Very low154 Ų154133 Ų13372%0.7278%0.776SS**  trans14132.3149.2-59.4-177.3-53.700120.7
541P33.3Very low34.3Very low130 Ų130134.1 Ų134.184%0.84478%0.783SS**  trans-75.6148.8147.134.9-31.8000110.2
542N39.1Very low34.5Very low152 Ų152136.2 Ų136.281%0.81378%0.78SS**  trans-142.8135.3172.1-140.5-6.5000109.8
543A30.8Very low34.7Very low87 Ų87139.2 Ų139.272%0.71979%0.788SS**  trans-107.4141.8-172.500000111.3
544F35.9Very low34.6Very low208 Ų208140.1 Ų140.191%0.91279%0.785SS**  trans-142.3146.7166.7-118.8-85.9000114
545V39Very low34.6Very low116 Ų116141.1 Ų141.170%0.70379%0.787SS**  trans-64.1145.9-168.6-177.20000113.5
546P32.1Very low34.7Very low120 Ų120142.4 Ų142.478%0.77979%0.786SS**  trans-80.5153.117234.2-36.2000113
547V36.5Very low34.7Very low135 Ų135141 Ų14182%0.81879%0.787SS**  trans-135.6128.8170.1176.70000109.9
548S30.2Very low34.8Very low108 Ų108136.2 Ų136.276%0.75578%0.777SS**  trans-87.7151.5176.2-47.30000111.9
549S36.7Very low34.9Very low117 Ų117136 Ų13682%0.81878%0.775SS**  trans-161.3112157.9-77.80000110.8
550D30.5Very low34.5Very low141 Ų141133.9 Ų133.975%0.75477%0.773SS**  trans-67.7150.1169.8-64.1-94.9000112.1
551T38.1Very low34.3Very low135 Ų135135.3 Ų135.383%0.82878%0.779SS**  trans-147.6112.1148.6-68.50000109.2
552K35.3Very low34.3Very low181 Ų181134 Ų13479%0.78777%0.774SS**  trans-77.9140.8173.9-63.8173.9179.1176.50110.1
553M39.8Very low34Very low189 Ų189133.1 Ų133.193%0.93177%0.773SS**  trans-133.2136147.8-81.5-61.617900109.3
554N29.4Very low34.2Very low118 Ų118137.5 Ų137.563%0.63178%0.779SS**  trans-122.6128.8-172.9166.238.1000109.3N556N554-N556 PolarHBondContact OD1-OD1 3.01Å
555V35.1Very low33.9Very low148 Ų148131.3 Ų131.390%0.89777%0.773SS**  trans-138.1135.5163.9-173.60000108.6
556N31.9Very low33.9Very low121 Ų121133.5 Ų133.565%0.64778%0.779SS**  trans-102.5141.1-165-87.6-25.6000113.9N554N554-N556 PolarHBondContact OD1-OD1 3.01Å
557S32.5Very low34.4Very low106 Ų106134.2 Ų134.274%0.74178%0.777SS**  trans68.7171.5137.8-560000119.2
558P36.6Very low34.6Very low106 Ų106132.5 Ų132.569%0.68878%0.777SS**  -136-155.2-60.441.3-24.6000112.2
559N32.5Very low35.7Very low140 Ų140131.5 Ų131.575%0.74976%0.76SS**  trans87.1109.2176.5-52.9-14.3000113.6
560S30.5Very low37.4Very low99 Ų99128 Ų12869%0.69274%0.736SS**  83.8110.251.8760000114.5
561E34.1Very low39.7Very low184 Ų184126.5 Ų126.586%0.8673%0.734SS**  174157.1125.9-95177.9151.300112.3
562S34.2Very low41.6Very low103 Ų103125.3 Ų125.372%0.7272%0.721SS**  trans30.4107.4169.860.10000118.8
563V32.4Very low43.5Very low133 Ų133120.2 Ų120.281%0.80670%0.702SS**  47.810474.8-1750000113.7
564H35.9Very low45.4Very low180 Ų180115.4 Ų115.483%0.83368%0.677SS**  trans-166115.1140.9-104.680000108.8
565G28.9Very low48Very low78 Ų78113.9 Ų113.980%0.80467%0.668SS**  trans-86.3143.1175.500000111.7
566I38.3Very low50.4Low161 Ų161109.1 Ų109.183%0.82664%0.637SS**  trans-142.9117.9-179.428.5173.2000112.1A568I566-A568 PolarHBondContact O-N 3.47Å
567N43.3Very low52.9Low135 Ų135107.3 Ų107.372%0.72263%0.625SS**  trans-61.2125.6170.6-80.3-36.8000110.6H569N567-H569 PolarHBondContact O-N 3.01Å
568A40.7Very low55.5Low99 Ų99109.4 Ų109.482%0.81862%0.616SS**  trans-80.548.9-178.100000113.8I566I566-A568 PolarHBondContact O-N 3.47Å
569H53.4Low57.9Low87 Ų87106.6 Ų106.640%0.40359%0.594SS.*  trans-62.8144165.6-77-73.6000110.2N567 D573 Q574N567-H569 PolarHBondContact O-N 3.01Å; H569-D573 HydrophobicContact CB-CB 4.14Å; H569-Q574 HydrophobicContact CB-CG 3.72Å; H569-Q574 PolarHBondContact O-NE2 3.22Å
570S71.8Confident60.6Low45 Ų45102.3 Ų102.332%0.31557%0.571SS.*  trans-67.6158.4175.880.20000110.7I572 D573 Q574S570-I572 PolarHBondContact O-N 3.29Å; S570-I572 VanDerWaalsContact O-N 3.07Å; S570-I572 PolarHBondContact OG-N 3.31Å; S570-D573 WeakPolarHBondContact CA-OD2 3.49Å; S570-D573 WeakPolarHBondContact CB-OD2 3.32Å; S570-D573 PolarHBondContact N-OD2 2.87Å; S570-D573 PolarHBondContact O-N 2.73Å; S570-D573 PolarHBondContact OG-N 3.47Å; S570-D573 PolarHBondContact OG-OD2 2.83Å; S570-Q574 WeakPolarHBondContact O-CG 3.37Å; S570-Q574 PolarHBondContact O-N 2.79Å
571P78.2Confident63.3Low109 Ų109100.3 Ų100.371%0.70855%0.548SS*.Hα-helixtrans-57.7-25.1177.2-25.835.5000113.7M575P571-M575 WeakPolarHBondContact O-CB 3.43Å; P571-M575 PolarHBondContact O-N 3.45Å
572I78.1Confident66Low110 Ų11095.8 Ų95.856%0.56453%0.527SS*.Hα-helixtrans-75.5-47.2175.6-58.5173.5000110S570 Q574 M575 L576S570-I572 PolarHBondContact O-N 3.29Å; S570-I572 VanDerWaalsContact O-N 3.07Å; S570-I572 PolarHBondContact OG-N 3.31Å; I572-Q574 VanDerWaalsContact C-N 3.3Å; I572-Q574 PolarHBondContact O-N 2.92Å; I572-M575 WeakPolarHBondContact O-CB 3.23Å; I572-M575 PolarHBondContact O-N 2.9Å; I572-L576 HydrophobicContact CG2-CD1 4Å; I572-L576 HydrophobicContact CG2-CG 4.43Å; I572-L576 WeakPolarHBondContact O-CG 3.43Å; I572-L576 PolarHBondContact O-N 2.83Å
573D76.5Confident68.6Low73 Ų7390.9 Ų90.939%0.3949%0.493SS..Hα-helixtrans-61.3-41.3177.1-49.9-49.6000110.8H569 S570 M575 L576 Q577H569-D573 HydrophobicContact CB-CB 4.14Å; S570-D573 WeakPolarHBondContact CA-OD2 3.49Å; S570-D573 WeakPolarHBondContact CB-OD2 3.32Å; S570-D573 PolarHBondContact N-OD2 2.87Å; S570-D573 PolarHBondContact O-N 2.73Å; S570-D573 PolarHBondContact OG-N 3.47Å; S570-D573 PolarHBondContact OG-OD2 2.83Å; D573-M575 VanDerWaalsContact C-N 3.27Å; D573-M575 PolarHBondContact O-N 3.42Å; D573-L576 PolarHBondContact O-N 3.34Å; D573-Q577 WeakPolarHBondContact O-CB 3.3Å; D573-Q577 PolarHBondContact O-N 3.15Å
574Q80.1Confident71.4Confident88 Ų8884.6 Ų84.641%0.41146%0.455SS..Hα-helixtrans-64.4-29.3174.9-66.3179.833.900112.8H569 S570 I572 R578H569-Q574 HydrophobicContact CB-CG 3.72Å; H569-Q574 PolarHBondContact O-NE2 3.22Å; S570-Q574 WeakPolarHBondContact O-CG 3.37Å; S570-Q574 PolarHBondContact O-N 2.79Å; I572-Q574 VanDerWaalsContact C-N 3.3Å; I572-Q574 PolarHBondContact O-N 2.92Å; Q574-R578 WeakPolarHBondContact O-CG 3.4Å; Q574-R578 PolarHBondContact O-N 2.88Å; Q574-R578 PolarHBondContact O-NH1 3.08Å
575M83.3Confident74Confident87 Ų8780.7 Ų80.743%0.42944%0.437SS..Hα-helixtrans-73.5-52.8174.9-172-175.886.300110.7P571 I572 D573 Q577 R578 E579P571-M575 WeakPolarHBondContact O-CB 3.43Å; P571-M575 PolarHBondContact O-N 3.45Å; I572-M575 WeakPolarHBondContact O-CB 3.23Å; I572-M575 PolarHBondContact O-N 2.9Å; D573-M575 VanDerWaalsContact C-N 3.27Å; D573-M575 PolarHBondContact O-N 3.42Å; M575-Q577 VanDerWaalsContact C-N 3.26Å; M575-Q577 PolarHBondContact O-N 2.95Å; M575-R578 PolarHBondContact O-N 2.96Å; M575-R578 VanDerWaalsContact O-N 3.15Å; M575-E579 PolarHBondContact O-N 3.18Å
576L85.5Confident76.9Confident48 Ų4882.8 Ų82.825%0.25143%0.425SS..Hα-helixtrans-59.2-37.7177.7-65.6170.9000111.7I572 D573 E579 L580 I617I572-L576 HydrophobicContact CG2-CD1 4Å; I572-L576 HydrophobicContact CG2-CG 4.43Å; I572-L576 WeakPolarHBondContact O-CG 3.43Å; I572-L576 PolarHBondContact O-N 2.83Å; D573-L576 PolarHBondContact O-N 3.34Å; L576-E579 PolarHBondContact O-N 2.85Å; L576-L580 WeakPolarHBondContact O-CB 3.38Å; L576-L580 VanDerWaalsContact O-CG 3.3Å; L576-L580 WeakPolarHBondContact O-CG 3.41Å; L576-L580 PolarHBondContact O-N 2.92Å; L576-I617 HydrophobicContact CD2-CB 4.38Å; L576-I617 HydrophobicContact CD2-CG1 4.33Å; L576-I617 HydrophobicContact CD2-CG2 4.31Å
577Q84.4Confident79.4Confident83 Ų8378 Ų7839%0.38840%0.402SS..Hα-helixtrans-65.4-42.3176.2-173.8177.617.700112.3D573 M575 W581D573-Q577 WeakPolarHBondContact O-CB 3.3Å; D573-Q577 PolarHBondContact O-N 3.15Å; M575-Q577 VanDerWaalsContact C-N 3.26Å; M575-Q577 PolarHBondContact O-N 2.95Å; Q577-W581 PolarHBondContact O-N 2.92Å
578R86.4Confident81.6Confident150 Ų15074.6 Ų74.657%0.56638%0.379SS*.Hα-helixtrans-62.9-43.1173.3-73.6-169.1-42.8-81.10.6111.5Q574 M575 L580 W581 E582Q574-R578 WeakPolarHBondContact O-CG 3.4Å; Q574-R578 PolarHBondContact O-N 2.88Å; Q574-R578 PolarHBondContact O-NH1 3.08Å; M575-R578 PolarHBondContact O-N 2.96Å; M575-R578 VanDerWaalsContact O-N 3.15Å; R578-L580 VanDerWaalsContact C-N 3.32Å; R578-L580 PolarHBondContact O-N 3.42Å; R578-W581 PolarHBondContact O-N 3.01Å; R578-E582 WeakPolarHBondContact O-CB 3.2Å; R578-E582 PolarHBondContact O-N 3.46Å
579E87.5Confident83.7Confident47 Ų4774.6 Ų74.622%0.2237%0.371CS..Hα-helixtrans-70.9-30.1-176.3-154.6160.5-163.400112.2M575 L576 V583 R615 I617M575-E579 PolarHBondContact O-N 3.18Å; L576-E579 PolarHBondContact O-N 2.85Å; E579-V583 VanDerWaalsContact O-CG2 3.31Å; E579-V583 WeakPolarHBondContact O-CG2 3.2Å; E579-V583 PolarHBondContact O-N 3.46Å; E579-V583 VanDerWaalsContact O-N 3.16Å; E579-R615 HydrophobicContact CG-CB 4.38Å; E579-R615 IonicContact OE1-NE 3.64Å; E579-I617 HydrophobicContact CB-CD1 4.09Å; E579-I617 HydrophobicContact CB-CG1 4.27Å; E579-I617 HydrophobicContact CG-CD1 4.02Å; E579-I617 HydrophobicContact CG-CG1 4.25Å
580L88.8Confident85.2Confident50 Ų5078.1 Ų78.126%0.26239%0.393SS..Hα-helixtrans-66.7-44166.9-78.6164.8000112.8L576 R578 L584 L605 L612 I617L576-L580 WeakPolarHBondContact O-CB 3.38Å; L576-L580 VanDerWaalsContact O-CG 3.3Å; L576-L580 WeakPolarHBondContact O-CG 3.41Å; L576-L580 PolarHBondContact O-N 2.92Å; R578-L580 VanDerWaalsContact C-N 3.32Å; R578-L580 PolarHBondContact O-N 3.42Å; L580-L584 WeakPolarHBondContact O-CG 3.43Å; L580-L584 PolarHBondContact O-N 3.27Å; L580-L605 HydrophobicContact CD2-CD1 3.86Å; L580-L605 HydrophobicContact CD2-CD2 3.87Å; L580-L612 HydrophobicContact CD2-CD2 3.79Å; L580-I617 HydrophobicContact CD1-CG2 4.47Å; L580-I617 HydrophobicContact CD2-CD1 4.25Å; L580-I617 HydrophobicContact CD2-CG2 4.15Å; L580-I617 HydrophobicContact CG-CD1 4.2Å; L580-I617 HydrophobicContact CG-CG2 4.17Å
581W88.4Confident85.8Confident57 Ų5778.4 Ų78.422%0.21639%0.39CS..Hα-helixtrans-63-46.9174.9-71.7132.6000111.5Q577 R578 V583 L584 E585 V593 H594 I601Q577-W581 PolarHBondContact O-N 2.92Å; R578-W581 PolarHBondContact O-N 3.01Å; W581-V583 VanDerWaalsContact C-N 3.32Å; W581-V583 PolarHBondContact O-N 3.16Å; W581-L584 PolarHBondContact O-N 3.24Å; W581-E585 WeakPolarHBondContact O-CG 3.38Å; W581-E585 PolarHBondContact O-N 3.44Å; W581-V593 HydrophobicContact CE3-CB 3.86Å; W581-V593 HydrophobicContact CE3-CG1 3.71Å; W581-V593 HydrophobicContact CZ3-CB 3.82Å; W581-V593 HydrophobicContact CZ3-CG1 3.61Å; W581-V593 VanDerWaalsContact CZ3-O 3.25Å; W581-V593 WeakPolarHBondContact CZ3-O 3.39Å; W581-H594 AromaticContact CD2-CE1 3.77Å; W581-H594 AromaticContact CD2-ND1 3.62Å; W581-H594 AromaticContact CE2-CE1 3.91Å; W581-H594 AromaticContact CE2-ND1 3.59Å; W581-H594 AromaticContact CE3-ND1 3.64Å; W581-H594 AromaticContact CH2-ND1 3.68Å; W581-H594 AromaticContact CZ2-ND1 3.62Å; W581-H594 AromaticContact CZ3-ND1 3.7Å; W581-I601 HydrophobicContact CH2-CD1 4.05Å; W581-I601 HydrophobicContact CZ3-CD1 4.19Å
582E89.3Confident86.1Confident89 Ų8978.1 Ų78.142%0.41638%0.382SS..Hα-helixtrans-59.6-40.5-179.7-166.4-168.7152.100111.8R578 L584 Q586 R615R578-E582 WeakPolarHBondContact O-CB 3.2Å; R578-E582 PolarHBondContact O-N 3.46Å; E582-L584 VanDerWaalsContact C-N 3.35Å; E582-L584 PolarHBondContact O-N 3.23Å; E582-Q586 WeakPolarHBondContact O-CB 3.48Å; E582-Q586 PolarHBondContact O-N 3.42Å; E582-R615 IonicContact OE1-CZ 2.67Å; E582-R615 IonicContact OE1-NH1 3.8Å; E582-R615 IonicContact OE1-NH2 2.68Å; E582-R615 PolarHBondContact OE1-NH2 3.47Å; E582-R615 IonicContact OE2-NH2 3.29Å; E582-R615 PolarHBondContact OE2-NH2 3.36Å
583V90.5Very high86.2Confident0 Ų073.1 Ų73.10%036%0.357CS..Hα-helixtrans-63.9-38.1174.2165.80000112E579 W581 N587 L608 L612E579-V583 VanDerWaalsContact O-CG2 3.31Å; E579-V583 WeakPolarHBondContact O-CG2 3.2Å; E579-V583 PolarHBondContact O-N 3.46Å; E579-V583 VanDerWaalsContact O-N 3.16Å; W581-V583 VanDerWaalsContact C-N 3.32Å; W581-V583 PolarHBondContact O-N 3.16Å; V583-N587 PolarHBondContact O-N 2.84Å; V583-N587 PolarHBondContact O-ND2 3.02Å; V583-L608 HydrophobicContact CG1-CB 4.33Å; V583-L608 HydrophobicContact CG1-CD1 3.79Å; V583-L612 HydrophobicContact CB-CD2 4.14Å; V583-L612 HydrophobicContact CG1-CD2 3.78Å; V583-L612 HydrophobicContact CG1-CG 4.46Å; V583-L612 HydrophobicContact CG2-CD2 4.18Å
584L90.4Very high86.3Confident1 Ų175 Ų751%0.00536%0.363CS..Hα-helixtrans-73.9-43.9178.5-73166.7000112.3L580 W581 E582 Q586 N587 Y588 V593 I601 L604 L605L580-L584 WeakPolarHBondContact O-CG 3.43Å; L580-L584 PolarHBondContact O-N 3.27Å; W581-L584 PolarHBondContact O-N 3.24Å; E582-L584 VanDerWaalsContact C-N 3.35Å; E582-L584 PolarHBondContact O-N 3.23Å; L584-Q586 VanDerWaalsContact C-N 3.28Å; L584-Q586 PolarHBondContact O-N 2.99Å; L584-N587 PolarHBondContact O-N 2.79Å; L584-Y588 HydrophobicContact CD2-CD2 4.04Å; L584-Y588 HydrophobicContact CD2-CE2 4.25Å; L584-Y588 WeakPolarHBondContact O-CA 3.32Å; L584-Y588 WeakPolarHBondContact O-CB 3.32Å; L584-Y588 PolarHBondContact O-N 2.83Å; L584-V593 HydrophobicContact CB-CG1 3.51Å; L584-V593 HydrophobicContact CB-CG2 4.35Å; L584-V593 HydrophobicContact CD1-CG1 3.69Å; L584-V593 HydrophobicContact CG-CG1 4.15Å; L584-I601 HydrophobicContact CD1-CG2 4.17Å; L584-L604 HydrophobicContact CD2-CB 3.62Å; L584-L604 HydrophobicContact CD2-CD1 4.45Å; L584-L605 HydrophobicContact CD1-CD2 4Å; L584-L605 HydrophobicContact CD1-CG 4.19Å; L584-L605 HydrophobicContact CD2-CD2 3.84Å; L584-L605 HydrophobicContact CD2-CG 4.07Å; L584-L605 HydrophobicContact CG-CD2 3.78Å; L584-L605 HydrophobicContact CG-CG 4.33Å
585E89.4Confident86.5Confident98 Ų9877 Ų7746%0.45838%0.377SS..Hα-helixtrans-59.7-39.4174.7-71.2175.4-173.100111.6W581 N587 V593 H594W581-E585 WeakPolarHBondContact O-CG 3.38Å; W581-E585 PolarHBondContact O-N 3.44Å; E585-N587 PolarHBondContact O-N 3.04Å; E585-V593 HydrophobicContact CG-CG2 3.66Å; E585-H594 IonicContact OE1-CE1 3.59Å
586Q90.8Very high86.5Confident121 Ų12174.8 Ų74.857%0.56537%0.367SS*.Hα-helixtrans-72.9-23.3-178.9-176.6156.471.500114.1E582 L584 R615E582-Q586 WeakPolarHBondContact O-CB 3.48Å; E582-Q586 PolarHBondContact O-N 3.42Å; L584-Q586 VanDerWaalsContact C-N 3.28Å; L584-Q586 PolarHBondContact O-N 2.99Å; Q586-R615 VanDerWaalsContact OE1-NH1 3.15Å
587N90.2Very high86.5Confident61 Ų6175.3 Ų75.333%0.32637%0.374SS..Hα-helixtrans-103.6-23.8177.8-73-85.1000113.7V583 L584 E585 L608 Q611V583-N587 PolarHBondContact O-N 2.84Å; V583-N587 PolarHBondContact O-ND2 3.02Å; L584-N587 PolarHBondContact O-N 2.79Å; E585-N587 PolarHBondContact O-N 3.04Å; N587-L608 HydrophobicContact CB-CD1 3.8Å; N587-L608 HydrophobicContact CB-CD2 4.22Å; N587-L608 WeakPolarHBondContact OD1-CD2 3.43Å; N587-Q611 PolarHBondContact ND2-OE1 2.83Å
588Y90.1Very high86.4Confident63 Ų6374 Ų7425%0.24738%0.378CS..  trans-133.658.7-175.1-56.8-68.5000112.4L584 D590 I591 L604 L608L584-Y588 HydrophobicContact CD2-CD2 4.04Å; L584-Y588 HydrophobicContact CD2-CE2 4.25Å; L584-Y588 WeakPolarHBondContact O-CA 3.32Å; L584-Y588 WeakPolarHBondContact O-CB 3.32Å; L584-Y588 PolarHBondContact O-N 2.83Å; Y588-D590 PolarHBondContact O-N 3.23Å; Y588-D590 VanDerWaalsContact O-N 3.13Å; Y588-I591 HydrophobicContact CD1-CD1 4.34Å; Y588-I591 HydrophobicContact CG-CD1 4.29Å; Y588-I591 PolarHBondContact O-N 2.86Å; Y588-L604 HydrophobicContact CD1-CD2 4.26Å; Y588-L604 HydrophobicContact CD2-CB 4.15Å; Y588-L604 HydrophobicContact CD2-CD1 4.19Å; Y588-L604 HydrophobicContact CD2-CD2 4.14Å; Y588-L604 HydrophobicContact CD2-CG 4.39Å; Y588-L604 HydrophobicContact CE1-CD2 3.95Å; Y588-L604 HydrophobicContact CE2-CB 3.73Å; Y588-L604 HydrophobicContact CE2-CD1 4.5Å; Y588-L604 HydrophobicContact CE2-CD2 3.81Å; Y588-L604 HydrophobicContact CE2-CG 4.2Å; Y588-L604 HydrophobicContact CG-CD2 4.35Å; Y588-L608 HydrophobicContact CE2-CD1 3.82Å
589P85.2Confident86.3Confident100 Ų10071.3 Ų71.365%0.64937%0.372SS*.THydrogen-bonded Turntrans-62.8-22.7-174.127-36.8000114.2I591P589-I591 PolarHBondContact O-N 2.94Å
590D84.4Confident86.3Confident161 Ų16174.9 Ų74.986%0.86138%0.383SS*.THydrogen-bonded Turntrans-78.9-3.7177-56.7-53.8000113.6Y588Y588-D590 PolarHBondContact O-N 3.23Å; Y588-D590 VanDerWaalsContact O-N 3.13Å
591I84.1Confident86.3Confident51 Ų5174.4 Ų74.426%0.26238%0.38SS..SBendtrans-110.7121.1-177.1-55.4-173.6000109.3Y588 P589 V593 L596 L604Y588-I591 HydrophobicContact CD1-CD1 4.34Å; Y588-I591 HydrophobicContact CG-CD1 4.29Å; Y588-I591 PolarHBondContact O-N 2.86Å; P589-I591 PolarHBondContact O-N 2.94Å; I591-V593 VanDerWaalsContact C-N 3.34Å; I591-V593 WeakPolarHBondContact O-CG2 3.44Å; I591-V593 PolarHBondContact O-N 3.29Å; I591-L596 HydrophobicContact CG2-CD1 3.89Å; I591-L596 HydrophobicContact CG2-CD2 3.71Å; I591-L596 HydrophobicContact CG2-CG 4.09Å; I591-L604 HydrophobicContact CD1-CD1 4.09Å; I591-L604 HydrophobicContact CD1-CD2 4.49Å
592N84.3Confident86.2Confident102 Ų10278 Ų7855%0.54539%0.394SS..  trans-7091.9172.1-168.918.2000109.9H594 D595N592-H594 PolarHBondContact O-N 3.01Å; N592-H594 VanDerWaalsContact O-N 3.15Å; N592-D595 PolarHBondContact ND2-OD2 3.38Å; N592-D595 PolarHBondContact O-N 3.43Å; N592-D595 VanDerWaalsContact O-N 3.11Å
593V80.9Confident86.2Confident6 Ų678.3 Ų78.34%0.03640%0.398CS..G310 helixtrans-61.9-32.2-162.9-148.30000112.6W581 L584 E585 I591 D595 L596W581-V593 HydrophobicContact CE3-CB 3.86Å; W581-V593 HydrophobicContact CE3-CG1 3.71Å; W581-V593 HydrophobicContact CZ3-CB 3.82Å; W581-V593 HydrophobicContact CZ3-CG1 3.61Å; W581-V593 VanDerWaalsContact CZ3-O 3.25Å; W581-V593 WeakPolarHBondContact CZ3-O 3.39Å; L584-V593 HydrophobicContact CB-CG1 3.51Å; L584-V593 HydrophobicContact CB-CG2 4.35Å; L584-V593 HydrophobicContact CD1-CG1 3.69Å; L584-V593 HydrophobicContact CG-CG1 4.15Å; E585-V593 HydrophobicContact CG-CG2 3.66Å; I591-V593 VanDerWaalsContact C-N 3.34Å; I591-V593 WeakPolarHBondContact O-CG2 3.44Å; I591-V593 PolarHBondContact O-N 3.29Å; V593-D595 PolarHBondContact O-N 2.87Å; V593-L596 HydrophobicContact CG1-CD1 3.81Å; V593-L596 WeakPolarHBondContact O-CB 3.41Å; V593-L596 WeakPolarHBondContact O-CG 3.17Å; V593-L596 PolarHBondContact O-N 3.42Å
594H79.3Confident86.2Confident111 Ų11178.8 Ų78.851%0.51440%0.401SS..G310 helixtrans-67.4-17.9-179-59.7-21.7000114.5W581 E585 N592W581-H594 AromaticContact CD2-CE1 3.77Å; W581-H594 AromaticContact CD2-ND1 3.62Å; W581-H594 AromaticContact CE2-CE1 3.91Å; W581-H594 AromaticContact CE2-ND1 3.59Å; W581-H594 AromaticContact CE3-ND1 3.64Å; W581-H594 AromaticContact CH2-ND1 3.68Å; W581-H594 AromaticContact CZ2-ND1 3.62Å; W581-H594 AromaticContact CZ3-ND1 3.7Å; E585-H594 IonicContact OE1-CE1 3.59Å; N592-H594 PolarHBondContact O-N 3.01Å; N592-H594 VanDerWaalsContact O-N 3.15Å
595D83.2Confident86.2Confident132 Ų13280 Ų8071%0.70641%0.407SS*.G310 helixtrans-911.5177.6-69.5-36.9000113.3N592 V593N592-D595 PolarHBondContact ND2-OD2 3.38Å; N592-D595 PolarHBondContact O-N 3.43Å; N592-D595 VanDerWaalsContact O-N 3.11Å; V593-D595 PolarHBondContact O-N 2.87Å
596L83.8Confident86.1Confident39 Ų3981.4 Ų81.420%0.20441%0.414CS..  trans-80.5145.1-175.1-62.6-176.8000113.8I591 V593 R600 I601 L604I591-L596 HydrophobicContact CG2-CD1 3.89Å; I591-L596 HydrophobicContact CG2-CD2 3.71Å; I591-L596 HydrophobicContact CG2-CG 4.09Å; V593-L596 HydrophobicContact CG1-CD1 3.81Å; V593-L596 WeakPolarHBondContact O-CB 3.41Å; V593-L596 WeakPolarHBondContact O-CG 3.17Å; V593-L596 PolarHBondContact O-N 3.42Å; L596-R600 HydrophobicContact CB-CB 4.41Å; L596-R600 HydrophobicContact CD1-CG 4.35Å; L596-R600 HydrophobicContact CD2-CG 3.85Å; L596-R600 HydrophobicContact CG-CG 4.49Å; L596-I601 HydrophobicContact CB-CD1 4.15Å; L596-I601 HydrophobicContact CB-CG1 3.68Å; L596-I601 HydrophobicContact CD1-CG1 4.25Å; L596-L604 HydrophobicContact CD1-CD1 3.57Å
597S84.8Confident86.1Confident59 Ų5980.1 Ų80.141%0.41342%0.416SS..  trans-71.1160.1170.794.90000111.8E599 R600 I601S597-E599 WeakPolarHBondContact CB-OE2 3.42Å; S597-E599 PolarHBondContact O-N 3.44Å; S597-E599 PolarHBondContact OG-N 2.88Å; S597-E599 PolarHBondContact OG-OE2 2.88Å; S597-R600 PolarHBondContact O-N 3.46Å; S597-R600 PolarHBondContact OG-N 3.16Å; S597-I601 WeakPolarHBondContact O-CG1 3.31Å; S597-I601 PolarHBondContact O-N 2.93Å
598A83.4Confident86.1Confident57 Ų5778.1 Ų78.147%0.47141%0.405SS..Hα-helixtrans-61.7-27.5177.600000113.1R602A598-R602 WeakPolarHBondContact O-CG 3.44Å; A598-R602 VanDerWaalsContact O-CZ 3.25Å; A598-R602 PolarHBondContact O-N 3.26Å; A598-R602 PolarHBondContact O-NE 3.5Å; A598-R602 PolarHBondContact O-NH1 3.12Å
599E84.2Confident86Confident92 Ų9281.8 Ų81.843%0.4342%0.419SS..Hα-helixtrans-65.2-54.8169.6-61.855.5-11800109.3S597 I601 R602 D603S597-E599 WeakPolarHBondContact CB-OE2 3.42Å; S597-E599 PolarHBondContact O-N 3.44Å; S597-E599 PolarHBondContact OG-N 2.88Å; S597-E599 PolarHBondContact OG-OE2 2.88Å; E599-I601 VanDerWaalsContact C-N 3.27Å; E599-I601 PolarHBondContact O-N 3.37Å; E599-R602 WeakPolarHBondContact O-CA 3.34Å; E599-R602 WeakPolarHBondContact O-CB 3.28Å; E599-R602 PolarHBondContact O-N 3.39Å; E599-R602 IonicContact OE1-CZ 3.99Å; E599-R602 IonicContact OE1-NH1 2.65Å; E599-R602 IonicContact OE1-NH2 3.73Å; E599-R602 PolarHBondContact OE1-NH2 3.25Å; E599-D603 VanDerWaalsContact O-CG 3.29Å; E599-D603 PolarHBondContact O-N 3.35Å
600R86.9Confident86Confident122 Ų12283.3 Ų83.346%0.4642%0.421SS..Hα-helixtrans-65-32.2-174.4-170.953.1171.1-1681.7112.8L596 S597 D603 L604L596-R600 HydrophobicContact CB-CB 4.41Å; L596-R600 HydrophobicContact CD1-CG 4.35Å; L596-R600 HydrophobicContact CD2-CG 3.85Å; L596-R600 HydrophobicContact CG-CG 4.49Å; S597-R600 PolarHBondContact O-N 3.46Å; S597-R600 PolarHBondContact OG-N 3.16Å; R600-D603 PolarHBondContact O-N 2.9Å; R600-L604 VanDerWaalsContact O-CG 3.31Å; R600-L604 WeakPolarHBondContact O-CG 3.44Å; R600-L604 PolarHBondContact O-N 2.71Å; R600-L604 VanDerWaalsContact O-N 3.14Å
601I88Confident86.2Confident40 Ų4078.7 Ų78.721%0.20539%0.394CS..Hα-helixtrans-64.1-44171.1-69.8171.2000110.6W581 L584 L596 S597 E599 L604 L605W581-I601 HydrophobicContact CH2-CD1 4.05Å; W581-I601 HydrophobicContact CZ3-CD1 4.19Å; L584-I601 HydrophobicContact CD1-CG2 4.17Å; L596-I601 HydrophobicContact CB-CD1 4.15Å; L596-I601 HydrophobicContact CB-CG1 3.68Å; L596-I601 HydrophobicContact CD1-CG1 4.25Å; S597-I601 WeakPolarHBondContact O-CG1 3.31Å; S597-I601 PolarHBondContact O-N 2.93Å; E599-I601 VanDerWaalsContact C-N 3.27Å; E599-I601 PolarHBondContact O-N 3.37Å; I601-L604 PolarHBondContact O-N 2.74Å; I601-L605 HydrophobicContact CG2-CD1 3.62Å; I601-L605 HydrophobicContact CG2-CG 4.36Å; I601-L605 WeakPolarHBondContact O-CB 3.35Å; I601-L605 WeakPolarHBondContact O-CD1 3.49Å; I601-L605 WeakPolarHBondContact O-CG 3.12Å; I601-L605 PolarHBondContact O-N 3.15Å
602R87.4Confident86.4Confident134 Ų13476.3 Ų76.351%0.50638%0.382SS..Hα-helixtrans-62.4-45.9174.1-69.6-178.9-58.4-99.84.5111.7A598 E599 L604 L605 E606A598-R602 WeakPolarHBondContact O-CG 3.44Å; A598-R602 VanDerWaalsContact O-CZ 3.25Å; A598-R602 PolarHBondContact O-N 3.26Å; A598-R602 PolarHBondContact O-NE 3.5Å; A598-R602 PolarHBondContact O-NH1 3.12Å; E599-R602 WeakPolarHBondContact O-CA 3.34Å; E599-R602 WeakPolarHBondContact O-CB 3.28Å; E599-R602 PolarHBondContact O-N 3.39Å; E599-R602 IonicContact OE1-CZ 3.99Å; E599-R602 IonicContact OE1-NH1 2.65Å; E599-R602 IonicContact OE1-NH2 3.73Å; E599-R602 PolarHBondContact OE1-NH2 3.25Å; R602-L604 PolarHBondContact O-N 3.18Å; R602-L605 PolarHBondContact O-N 3.39Å; R602-L605 VanDerWaalsContact O-N 3.08Å; R602-E606 PolarHBondContact O-N 2.89Å
603D88.5Confident86.5Confident94 Ų9475 Ų7550%0.50338%0.378SS..Hα-helixtrans-59.3-31.8-179.9-61-18.3000113.2E599 R600 P607E599-D603 VanDerWaalsContact O-CG 3.29Å; E599-D603 PolarHBondContact O-N 3.35Å; R600-D603 PolarHBondContact O-N 2.9Å; D603-P607 VanDerWaalsContact O-CD 3.31Å; D603-P607 WeakPolarHBondContact O-CD 3.37Å
604L90.5Very high86.7Confident11 Ų1178.8 Ų78.86%0.05841%0.41CS..Hα-helixtrans-87-23.1176.6-66.3178.7000113.3L584 Y588 I591 L596 R600 I601 R602 L608L584-L604 HydrophobicContact CD2-CB 3.62Å; L584-L604 HydrophobicContact CD2-CD1 4.45Å; Y588-L604 HydrophobicContact CD1-CD2 4.26Å; Y588-L604 HydrophobicContact CD2-CB 4.15Å; Y588-L604 HydrophobicContact CD2-CD1 4.19Å; Y588-L604 HydrophobicContact CD2-CD2 4.14Å; Y588-L604 HydrophobicContact CD2-CG 4.39Å; Y588-L604 HydrophobicContact CE1-CD2 3.95Å; Y588-L604 HydrophobicContact CE2-CB 3.73Å; Y588-L604 HydrophobicContact CE2-CD1 4.5Å; Y588-L604 HydrophobicContact CE2-CD2 3.81Å; Y588-L604 HydrophobicContact CE2-CG 4.2Å; Y588-L604 HydrophobicContact CG-CD2 4.35Å; I591-L604 HydrophobicContact CD1-CD1 4.09Å; I591-L604 HydrophobicContact CD1-CD2 4.49Å; L596-L604 HydrophobicContact CD1-CD1 3.57Å; R600-L604 VanDerWaalsContact O-CG 3.31Å; R600-L604 WeakPolarHBondContact O-CG 3.44Å; R600-L604 PolarHBondContact O-N 2.71Å; R600-L604 VanDerWaalsContact O-N 3.14Å; I601-L604 PolarHBondContact O-N 2.74Å; R602-L604 PolarHBondContact O-N 3.18Å; L604-L608 WeakPolarHBondContact O-CD1 3.48Å
605L90.3Very high86.9Confident25 Ų2576.8 Ų76.813%0.13140%0.398CS..Hα-helixtrans-85.7-29.3177.6-71.6170.8000113.1L580 L584 I601 R602 L608 R609 L612L580-L605 HydrophobicContact CD2-CD1 3.86Å; L580-L605 HydrophobicContact CD2-CD2 3.87Å; L584-L605 HydrophobicContact CD1-CD2 4Å; L584-L605 HydrophobicContact CD1-CG 4.19Å; L584-L605 HydrophobicContact CD2-CD2 3.84Å; L584-L605 HydrophobicContact CD2-CG 4.07Å; L584-L605 HydrophobicContact CG-CD2 3.78Å; L584-L605 HydrophobicContact CG-CG 4.33Å; I601-L605 HydrophobicContact CG2-CD1 3.62Å; I601-L605 HydrophobicContact CG2-CG 4.36Å; I601-L605 WeakPolarHBondContact O-CB 3.35Å; I601-L605 WeakPolarHBondContact O-CD1 3.49Å; I601-L605 WeakPolarHBondContact O-CG 3.12Å; I601-L605 PolarHBondContact O-N 3.15Å; R602-L605 PolarHBondContact O-N 3.39Å; R602-L605 VanDerWaalsContact O-N 3.08Å; L605-L608 CarbonylContact O-C 3.54Å; L605-L608 WeakPolarHBondContact O-CA 3.43Å; L605-L608 PolarHBondContact O-N 3.39Å; L605-R609 PolarHBondContact O-N 3.42Å; L605-L612 HydrophobicContact CB-CD1 4Å; L605-L612 HydrophobicContact CD2-CD1 3.79Å; L605-L612 HydrophobicContact CD2-CD2 3.97Å; L605-L612 HydrophobicContact CD2-CG 4.44Å; L605-L612 HydrophobicContact CG-CD1 4.41Å
606E88.4Confident86.8Confident128 Ų12871.4 Ų71.460%0.59837%0.373SS*.G310 helixtrans-59.4-41.4-178.7-163.365.6-144.700113.2R602 L608 R609R602-E606 PolarHBondContact O-N 2.89Å; E606-L608 PolarHBondContact O-N 3.13Å; E606-R609 WeakPolarHBondContact O-CB 3.49Å; E606-R609 PolarHBondContact O-N 2.87Å
607P90.8Very high86.4Confident94 Ų9470.6 Ų70.661%0.6137%0.369SS*.G310 helixtrans-68.5-19172.5-18.733.3000114D603D603-P607 VanDerWaalsContact O-CD 3.31Å; D603-P607 WeakPolarHBondContact O-CD 3.37Å
608L90.8Very high85.8Confident19 Ų1973.3 Ų73.310%0.09937%0.373CS..G310 helixtrans-99.18.4-176.6-58179.5000112.7V583 N587 Y588 L604 L605 E606 D610 Q611 L612V583-L608 HydrophobicContact CG1-CB 4.33Å; V583-L608 HydrophobicContact CG1-CD1 3.79Å; N587-L608 HydrophobicContact CB-CD1 3.8Å; N587-L608 HydrophobicContact CB-CD2 4.22Å; N587-L608 WeakPolarHBondContact OD1-CD2 3.43Å; Y588-L608 HydrophobicContact CE2-CD1 3.82Å; L604-L608 WeakPolarHBondContact O-CD1 3.48Å; L605-L608 CarbonylContact O-C 3.54Å; L605-L608 WeakPolarHBondContact O-CA 3.43Å; L605-L608 PolarHBondContact O-N 3.39Å; E606-L608 PolarHBondContact O-N 3.13Å; L608-D610 VanDerWaalsContact C-N 3.27Å; L608-D610 PolarHBondContact O-N 2.87Å; L608-D610 VanDerWaalsContact O-N 3.14Å; L608-Q611 WeakPolarHBondContact O-CA 3.5Å; L608-Q611 WeakPolarHBondContact O-CB 3.5Å; L608-Q611 PolarHBondContact O-N 2.87Å; L608-L612 WeakPolarHBondContact O-CG 3.43Å; L608-L612 PolarHBondContact O-N 2.79Å
609R86.1Confident84.6Confident141 Ų14176.4 Ų76.453%0.53238%0.378SS..Hα-helixtrans-50.6-41.5-173.6-166.3170-173.7-89.23.2113.7L605 E606 L612 V613 F618L605-R609 PolarHBondContact O-N 3.42Å; E606-R609 WeakPolarHBondContact O-CB 3.49Å; E606-R609 PolarHBondContact O-N 2.87Å; R609-L612 PolarHBondContact O-N 2.69Å; R609-V613 WeakPolarHBondContact O-CG2 3.45Å; R609-V613 PolarHBondContact O-N 3.33Å; R609-F618 HydrophobicContact CG-CE2 4.48Å
610D86.2Confident82.6Confident132 Ų13280.1 Ų80.171%0.70640%0.4SS*.Hα-helixtrans-70.2-34.2178-65.1-23.3000112.8L608 V613 A614L608-D610 VanDerWaalsContact C-N 3.27Å; L608-D610 PolarHBondContact O-N 2.87Å; L608-D610 VanDerWaalsContact O-N 3.14Å; D610-V613 PolarHBondContact O-N 3.11Å; D610-A614 WeakPolarHBondContact O-CB 3.28Å; D610-A614 PolarHBondContact O-N 3.06Å
611Q88.3Confident80.3Confident63 Ų6385.7 Ų85.729%0.29442%0.421SS..Hα-helixtrans-69.5-36.7174.3-163.9-178.832.800111.3N587 L608 A614 R615N587-Q611 PolarHBondContact ND2-OE1 2.83Å; L608-Q611 WeakPolarHBondContact O-CA 3.5Å; L608-Q611 WeakPolarHBondContact O-CB 3.5Å; L608-Q611 PolarHBondContact O-N 2.87Å; Q611-A614 PolarHBondContact O-N 3.4Å; Q611-R615 WeakPolarHBondContact O-CG 3.41Å; Q611-R615 PolarHBondContact O-N 2.89Å
612L87.8Confident77.8Confident2 Ų289.6 Ų89.61%0.0144%0.442CS..Hα-helixtrans-67.4-36.7174-62.1169.7000112.1L580 V583 L605 L608 R609 G616 I617 F618L580-L612 HydrophobicContact CD2-CD2 3.79Å; V583-L612 HydrophobicContact CB-CD2 4.14Å; V583-L612 HydrophobicContact CG1-CD2 3.78Å; V583-L612 HydrophobicContact CG1-CG 4.46Å; V583-L612 HydrophobicContact CG2-CD2 4.18Å; L605-L612 HydrophobicContact CB-CD1 4Å; L605-L612 HydrophobicContact CD2-CD1 3.79Å; L605-L612 HydrophobicContact CD2-CD2 3.97Å; L605-L612 HydrophobicContact CD2-CG 4.44Å; L605-L612 HydrophobicContact CG-CD1 4.41Å; L608-L612 WeakPolarHBondContact O-CG 3.43Å; L608-L612 PolarHBondContact O-N 2.79Å; R609-L612 PolarHBondContact O-N 2.69Å; L612-G616 PolarHBondContact O-N 2.8Å; L612-I617 HydrophobicContact CD2-CD1 3.52Å; L612-I617 PolarHBondContact O-N 3.24Å; L612-F618 HydrophobicContact CB-CD2 3.85Å; L612-F618 HydrophobicContact CB-CE2 3.57Å; L612-F618 HydrophobicContact CD1-CE2 3.92Å; L612-F618 HydrophobicContact CD1-CZ 4.42Å; L612-F618 HydrophobicContact CG-CE2 4.39Å
613V86.1Confident75.6Confident74 Ų7488.8 Ų88.845%0.44845%0.454SS..Hα-helixtrans-66.1-43.7170.2170.30000110.8R609 D610 R615 G616 F618R609-V613 WeakPolarHBondContact O-CG2 3.45Å; R609-V613 PolarHBondContact O-N 3.33Å; D610-V613 PolarHBondContact O-N 3.11Å; V613-R615 PolarHBondContact O-N 3.15Å; V613-G616 WeakPolarHBondContact O-CA 3.27Å; V613-G616 PolarHBondContact O-N 3.45Å; V613-F618 HydrophobicContact CG2-CB 4.26Å; V613-F618 HydrophobicContact CG2-CD2 3.87Å; V613-F618 HydrophobicContact CG2-CG 4.48Å
614A85.8Confident72.9Confident85 Ų8590 Ų9070%0.70247%0.468SS*.Hα-helixtrans-64.1-35.5178.800000113.4D610 Q611 G616D610-A614 WeakPolarHBondContact O-CB 3.28Å; D610-A614 PolarHBondContact O-N 3.06Å; Q611-A614 PolarHBondContact O-N 3.4Å; A614-G616 PolarHBondContact O-N 3.09Å
615R84Confident70.9Confident70 Ų7094.7 Ų94.726%0.26450%0.5SS..THydrogen-bonded Turntrans-79-2.5170.4-64.5-174.799.2128.7-2.1113.6E579 E582 Q586 Q611 V613 I617E579-R615 HydrophobicContact CG-CB 4.38Å; E579-R615 IonicContact OE1-NE 3.64Å; E582-R615 IonicContact OE1-CZ 2.67Å; E582-R615 IonicContact OE1-NH1 3.8Å; E582-R615 IonicContact OE1-NH2 2.68Å; E582-R615 PolarHBondContact OE1-NH2 3.47Å; E582-R615 IonicContact OE2-NH2 3.29Å; E582-R615 PolarHBondContact OE2-NH2 3.36Å; Q586-R615 VanDerWaalsContact OE1-NH1 3.15Å; Q611-R615 WeakPolarHBondContact O-CG 3.41Å; Q611-R615 PolarHBondContact O-N 2.89Å; V613-R615 PolarHBondContact O-N 3.15Å; R615-I617 VanDerWaalsContact C-N 3.33Å; R615-I617 HydrophobicContact CB-CD1 4.39Å; R615-I617 PolarHBondContact O-N 3.39Å
616G80.2Confident68.5Low18 Ų1899.6 Ų99.619%0.18653%0.533CS..THydrogen-bonded Turntrans78.68.7173.800000115.6L612 V613 A614 F618 Q619L612-G616 PolarHBondContact O-N 2.8Å; V613-G616 WeakPolarHBondContact O-CA 3.27Å; V613-G616 PolarHBondContact O-N 3.45Å; A614-G616 PolarHBondContact O-N 3.09Å; G616-F618 PolarHBondContact O-N 3.41Å; G616-Q619 WeakPolarHBondContact O-CB 3.49Å; G616-Q619 PolarHBondContact O-N 2.97Å
617I75.9Confident66.4Low23 Ų23101.7 Ų101.712%0.11854%0.54CS..THydrogen-bonded Turntrans-58.7-32.2-179.9-68.1162.3000111.5L576 E579 L580 L612 R615L576-I617 HydrophobicContact CD2-CB 4.38Å; L576-I617 HydrophobicContact CD2-CG1 4.33Å; L576-I617 HydrophobicContact CD2-CG2 4.31Å; E579-I617 HydrophobicContact CB-CD1 4.09Å; E579-I617 HydrophobicContact CB-CG1 4.27Å; E579-I617 HydrophobicContact CG-CD1 4.02Å; E579-I617 HydrophobicContact CG-CG1 4.25Å; L580-I617 HydrophobicContact CD1-CG2 4.47Å; L580-I617 HydrophobicContact CD2-CD1 4.25Å; L580-I617 HydrophobicContact CD2-CG2 4.15Å; L580-I617 HydrophobicContact CG-CD1 4.2Å; L580-I617 HydrophobicContact CG-CG2 4.17Å; L612-I617 HydrophobicContact CD2-CD1 3.52Å; L612-I617 PolarHBondContact O-N 3.24Å; R615-I617 VanDerWaalsContact C-N 3.33Å; R615-I617 HydrophobicContact CB-CD1 4.39Å; R615-I617 PolarHBondContact O-N 3.39Å
618F71.8Confident64.2Low116 Ų116101.9 Ų101.951%0.50954%0.542SS..THydrogen-bonded Turntrans-90.66.7175.4-68.7-65000115R609 L612 V613 G616 L620R609-F618 HydrophobicContact CG-CE2 4.48Å; L612-F618 HydrophobicContact CB-CD2 3.85Å; L612-F618 HydrophobicContact CB-CE2 3.57Å; L612-F618 HydrophobicContact CD1-CE2 3.92Å; L612-F618 HydrophobicContact CD1-CZ 4.42Å; L612-F618 HydrophobicContact CG-CE2 4.39Å; V613-F618 HydrophobicContact CG2-CB 4.26Å; V613-F618 HydrophobicContact CG2-CD2 3.87Å; V613-F618 HydrophobicContact CG2-CG 4.48Å; G616-F618 PolarHBondContact O-N 3.41Å; F618-L620 VanDerWaalsContact C-N 3.29Å; F618-L620 PolarHBondContact O-N 2.89Å
619Q57.6Low61.8Low122 Ų122107.3 Ų107.357%0.5758%0.578SS**  trans-76.580.5176.6-70.2-170.145.700111.8G616 R621 N622G616-Q619 WeakPolarHBondContact O-CB 3.49Å; G616-Q619 PolarHBondContact O-N 2.97Å; Q619-R621 VanDerWaalsContact C-N 3.34Å; Q619-R621 PolarHBondContact O-N 3.45Å; Q619-N622 PolarHBondContact OE1-ND2 3.38Å
620L42.8Very low59.7Low170 Ų170107 Ų10789%0.8959%0.586SS**  trans-56.488.1169-85.1162.5000111.8F618 N622F618-L620 VanDerWaalsContact C-N 3.29Å; F618-L620 PolarHBondContact O-N 2.89Å; L620-N622 PolarHBondContact O-N 3.01Å
621R38.6Very low57.4Low239 Ų239109.1 Ų109.190%0.90259%0.592SS**  trans41.364.9168.4-75.9-175.6166.4177.6-3.2114.4Q619Q619-R621 VanDerWaalsContact C-N 3.34Å; Q619-R621 PolarHBondContact O-N 3.45Å
622N34.9Very low55Low122 Ų122116 Ų11665%0.65262%0.616SS**  trans-55136.4149-91.5-34.6000108.6Q619 L620Q619-N622 PolarHBondContact OE1-ND2 3.38Å; L620-N622 PolarHBondContact O-N 3.01Å
623P41.3Very low52.9Low116 Ų116121.4 Ų121.475%0.75365%0.652SS**  trans-55.2163.1167.8-25.535.7000111.6
624C31.7Very low50.8Low119 Ų119124.9 Ų124.980%0.80467%0.668SS**  trans-45.8145.1-171.4-65.40000113.6
625P48.9Very low48.4Very low111 Ų111126.5 Ų126.572%0.72167%0.673SS**PPolyproline II helixtrans-54.6148.3170.726.5-35.5000109.9K627P625-K627 PolarHBondContact O-N 3.1Å; P625-K627 VanDerWaalsContact O-N 3.09Å
626P40.2Very low46.4Very low128 Ų128129.2 Ų129.283%0.83170%0.699SS**PPolyproline II helixtrans-57122-179.824.5-33.7000109
627K44.3Very low44.8Very low171 Ų171134.7 Ų134.774%0.74373%0.729SS**PPolyproline II helixtrans-56.9139.3166.4-80.5-178.1175.7176.90107.6P625P625-K627 PolarHBondContact O-N 3.1Å; P625-K627 VanDerWaalsContact O-N 3.09Å
628P45.6Very low43.1Very low99 Ų99140.9 Ų140.964%0.64376%0.763SS**PPolyproline II helixtrans-54.6148.2165.927.4-34.9000108.4L630P628-L630 PolarHBondContact O-N 2.84Å
629P40.2Very low41.5Very low132 Ų132140.7 Ų140.786%0.85778%0.775SS**  trans-59.7102.8-175.124-33.8000109.6Q631P629-Q631 PolarHBondContact O-N 2.86Å
630L40.7Very low40.6Very low134 Ų134140.4 Ų140.470%0.70278%0.784SS**  trans-71.791168.6-74.8179.8000106.5P628 Y632P628-L630 PolarHBondContact O-N 2.84Å; L630-Y632 PolarHBondContact O-N 3.04Å
631Q38Very low40.7Very low178 Ų178138.8 Ų138.883%0.83278%0.781SS**  trans-39111.2170.3-170168.610.100109.1P629P629-Q631 PolarHBondContact O-N 2.86Å
632Y37.9Very low40.7Very low206 Ų206132.6 Ų132.681%0.80877%0.772SS**  trans-57.1131.1174.3-81.9-94.1000107.8L630 D634L630-Y632 PolarHBondContact O-N 3.04Å; Y632-D634 PolarHBondContact O-N 3.34Å; Y632-D634 VanDerWaalsContact O-N 3.11Å
633P43.6Very low40.9Very low117 Ų117136.7 Ų136.776%0.7678%0.778SS**  trans-62.6114.5163.4-16.130.1000107.1C635P633-C635 PolarHBondContact O-N 3.4Å; P633-C635 VanDerWaalsContact O-N 3.07Å
634D43Very low40.9Very low147 Ų147139 Ų13979%0.78678%0.779SS**  trans-56.4115.6172.7-71.2-67.2000108.9Y632 P636Y632-D634 PolarHBondContact O-N 3.34Å; Y632-D634 VanDerWaalsContact O-N 3.11Å; D634-P636 WeakPolarHBondContact O-CD 3.37Å; D634-P636 VanDerWaalsContact O-N 3.17Å
635C34.6Very low41.4Very low119 Ų119136.6 Ų136.680%0.80477%0.774SS**  trans-63.7112.7170.5-74.70000108P633 V637P633-C635 PolarHBondContact O-N 3.4Å; P633-C635 VanDerWaalsContact O-N 3.07Å; C635-V637 PolarHBondContact O-N 3.2Å
636P42.4Very low41Very low126 Ų126141.6 Ų141.682%0.81878%0.784SS**  trans-69.7123.2-172.2-18.632.9000110.7D634D634-P636 WeakPolarHBondContact O-CD 3.37Å; D634-P636 VanDerWaalsContact O-N 3.17Å
637V46.2Very low41.5Very low133 Ų133146 Ų14681%0.80678%0.784SS**  trans-70.1150.9160.7178.40000108.6C635C635-V637 PolarHBondContact O-N 3.2Å
638D41.2Very low42Very low154 Ų154143.6 Ų143.682%0.82479%0.787SS**  trans-26.5148-165.5-72.9-79.1000121.5
639S36.6Very low42.4Very low111 Ų111142.9 Ų142.978%0.77678%0.782SS**  trans-66.5155.9173.9-60.40000112.6
640P39.9Very low42.5Very low116 Ų116144.6 Ų144.675%0.75378%0.776SS**  -151.5102.296.635.7-15.7000117.2
641V45Very low42.8Very low136 Ų136145.7 Ų145.782%0.82478%0.777SS**  trans61.1176.2140.5-111.60000118.3
642P38.5Very low42.9Very low109 Ų109140.5 Ų140.571%0.70877%0.772SS**  -132.7165-126.342.7-24.5000117.7
643R38.9Very low43.1Very low209 Ų209138.6 Ų138.679%0.78978%0.775SS**  trans-146.8129.7148.4-77.5-161.3171.5-111.4-2.9113.8
644Q41.7Very low42.9Very low165 Ų165138 Ų13877%0.77177%0.774SS**  trans47.1126.2137.1-58169.6-56.400119.1
645G41.1Very low42.8Very low67 Ų67142.7 Ų142.769%0.69178%0.78SS**  cis173.1-161.61.700000113.7
646F42.3Very low43.4Very low216 Ų216145.4 Ų145.495%0.94778%0.783SS**  trans74.189.4172.1-68.7-80.6000120.7
647R50.6Low43.8Very low220 Ų220144.6 Ų144.683%0.8378%0.778SS**  trans-43.2168.9140.7-92.8-177.6-179.9-145.51.9114.1
648P53.8Low44Very low122 Ų122144.8 Ų144.879%0.79278%0.779SS**  cis-140.9174.937.731.2-6.5000119.4
649P54.1Low44.2Very low84 Ų84143 Ų14355%0.54578%0.776SS.*  trans-110.6-159.8-174.143.5-33.9000113.1
650F42.3Very low45.1Very low167 Ų167144.3 Ų144.373%0.73278%0.779SS**  -176.8129.1115.2-113.2-99.4000113.5
651H46.1Very low45.5Very low157 Ų157144.7 Ų144.773%0.72778%0.782SS**  trans36.8149.7144.8-63.5-130.3000121
652G41Very low45.2Very low70 Ų70149.5 Ų149.572%0.72279%0.785SS**  cis179.7-167.56.200000108.1
653L42.1Very low45.8Very low165 Ų165150.1 Ų150.186%0.86479%0.791SS**  cis-158.7175.4-6-116.1174.2000109.7
654S39.3Very low46Very low105 Ų105147.3 Ų147.373%0.73479%0.792SS**  trans-94.6163.5-165.9-42.60000117.8
655R41.2Very low46Very low246 Ų246149.3 Ų149.393%0.92880%0.799SS**  trans-156.5157.3133.8-113.3170.7-173-100.8-0.4113.2
656M46.2Very low46.4Very low175 Ų175152.2 Ų152.286%0.86280%0.803SS**  trans-138.3-161.1-170-80.2-87.4-164.200110
657P52.4Low47.3Very low110 Ų110147.2 Ų147.271%0.71479%0.792SS**  -125.2-171.4-102.538.3-17.1000114.1
658V50.6Low48.1Very low137 Ų137142.3 Ų142.383%0.8379%0.789SS**  trans-141131.6171-174.90000111.5
659P44.6Very low48.2Very low115 Ų115142.5 Ų142.575%0.74779%0.79SS**  trans-116.8153.8173.139.2-29.4000114.5
660V55.2Low47.7Very low139 Ų139150.4 Ų150.484%0.84281%0.809SS**  trans-150.3163.9169-109.50000109.3
661P48.6Very low47.7Very low125 Ų125145.5 Ų145.581%0.81281%0.806SS**  -109.8-178.5-129.79.414.6000116.3
662R39Very low48Very low237 Ų237144.1 Ų144.189%0.89481%0.811SS**  trans-76155176-72.2176.7165.6150.9-4.7113.3
663S50.4Low47.9Very low121 Ų121151.4 Ų151.485%0.84682%0.817SS**  trans-125.4144.8151.9-56.80000108.6
664D42.7Very low47.9Very low150 Ų150151.4 Ų151.480%0.80282%0.817SS**  trans-83.2145.3-172.1-55.2-83.8000114
665F43.1Very low48.1Very low208 Ų208151.1 Ų151.191%0.91281%0.814SS**  trans-152.8148.4143.9-116.2-77.8000110.6
666T48.6Very low48.9Very low127 Ų127144.9 Ų144.978%0.77981%0.805SS**PPolyproline II helixtrans-86.3142.4-161.4300000115.3
667P61.5Low49.3Very low111 Ų111142.4 Ų142.472%0.72180%0.802SS**PPolyproline II helixtrans-81.7155.1163.234.6-33.8000111.6
668P66.8Low48.7Very low117 Ų117144 Ų14476%0.7680%0.804SS**PPolyproline II helixtrans-68.6158.6175.528.8-35000112.9
669P56.4Low48.9Very low127 Ų127142.9 Ų142.983%0.82580%0.8SS**PPolyproline II helixtrans-71.7151.1-171.129-36000113.7G671P669-G671 PolarHBondContact O-N 3.02Å
670R43.4Very low48.9Very low249 Ų249142.6 Ų142.694%0.9480%0.801SS**PPolyproline II helixtrans-74.6118173.1-66.8176178.6-97.92.5110.2
671G43.2Very low48.1Very low65 Ų65139 Ų13967%0.6779%0.792SS**PPolyproline II helixtrans-65.5159167.300000112.5P669P669-G671 PolarHBondContact O-N 3.02Å
672P51.6Low47.8Very low128 Ų128144.1 Ų144.183%0.83180%0.797SS**PPolyproline II helixtrans-66.8144.1-173.7-2033.2000113.4L674P672-L674 PolarHBondContact O-N 2.94Å
673R38.6Very low47.7Very low223 Ų223136 Ų13684%0.84279%0.787SS**PPolyproline II helixtrans-75.2121.1161.7-73.2-179.2176.9-1006.2108.9
674L42.7Very low47.7Very low165 Ų165136.2 Ų136.286%0.86479%0.785SS**  trans-116103.7157.2-70.3176.4000107.7P672P672-L674 PolarHBondContact O-N 2.94Å
675C43.2Very low47.8Very low98 Ų98135 Ų13566%0.66279%0.786SS**PPolyproline II helixtrans-94.6127.1171.1-64.30000108.3
676P57.7Low47.5Very low116 Ų116132.7 Ų132.775%0.75378%0.783SS**PPolyproline II helixtrans-66.5147161.930.3-33000109.4
677P55Low47Very low122 Ų122138.6 Ų138.679%0.79279%0.791SS**PPolyproline II helixtrans-73.1148.2178.330.9-34.8000111.6P679P677-P679 WeakPolarHBondContact O-CD 3.49Å
678N40.2Very low46.1Very low144 Ų144141.4 Ų141.477%0.7780%0.797SS**PPolyproline II helixtrans-82.9119175.6-172.626.5000110.4S680N678-S680 PolarHBondContact O-N 2.78Å
679P54.5Low45.1Very low113 Ų113140.8 Ų140.873%0.73479%0.792SS**PPolyproline II helixtrans-72.1121.5175.629.2-32.8000110.6P677P677-P679 WeakPolarHBondContact O-CD 3.49Å
680S44.2Very low44.4Very low110 Ų110142.6 Ų142.677%0.76980%0.795SS**PPolyproline II helixtrans-92.9133.2178.6-64.40000111.9N678N678-S680 PolarHBondContact O-N 2.78Å
681G39.4Very low43.9Very low64 Ų64140.5 Ų140.566%0.6679%0.787SS**  trans82154178.200000113.6
682Y41.8Very low43.9Very low231 Ų231142.8 Ų142.891%0.90679%0.79SS**  cis-133.1139.94.9-78.8-107.2000110.5
683G36.2Very low43.2Very low66 Ų66140 Ų14068%0.6877%0.773SS**PPolyproline II helixtrans-94.3136.9163.800000110.4
684P50.2Low43.3Very low126 Ų126137.9 Ų137.982%0.81877%0.771SS**PPolyproline II helixtrans-68.4144172.329.4-33.8000110.6
685P45.7Very low43.1Very low125 Ų125137.9 Ų137.981%0.81277%0.766SS**PPolyproline II helixtrans-80.8150.9-171.332-36000113.6
686N35.6Very low42.8Very low159 Ų159138.3 Ų138.385%0.8577%0.77SS**PPolyproline II helixtrans-58133.8165.2-81-68.5000111.7
687R39.8Very low41.9Very low251 Ų251141.5 Ų141.595%0.94778%0.777SS**  trans-148.1135.3140.5-112.9175.8-170.8-157.20.7111.7
688M41.2Very low40.8Very low171 Ų171142.4 Ų142.484%0.84278%0.776SS**  trans-89.6-168.2177.9-42.7174.775.600108.9
689P46.7Very low41Very low103 Ų103140.5 Ų140.567%0.66977%0.771SS**  cis-135.3170.1-9.240.4-24.4000115.2
690N40.6Very low40.3Very low165 Ų165141.1 Ų141.188%0.88277%0.773SS**  -172135.7120.5-98.8-32.5000112.5
691R33.7Very low40Very low206 Ų206143.8 Ų143.878%0.77778%0.777SS**  trans-155110.2171.9-175.4-167.9-163.1-116.411.9110.2S693R691-S693 PolarHBondContact NH1-OG 3.31Å
692P43.9Very low40.1Very low112 Ų112145.8 Ų145.873%0.72778%0.779SS**  trans-72.3138.2163-13.529.9000109.6
693S36.2Very low40.1Very low69 Ų69142.7 Ų142.748%0.48377%0.772SS.*  trans-112.8124.2170.6-59.40000109.5R691R691-S693 PolarHBondContact NH1-OG 3.31Å
694F39.6Very low40.2Very low179 Ų179146.7 Ų146.779%0.78578%0.777SS**  trans-129.197.5162.4-76.8-89000105.8
695H40.3Very low39.7Very low165 Ų165148.4 Ų148.476%0.76478%0.778SS**  85.9100.188-79.2-32000111.7
696S35.4Very low39.4Very low108 Ų108147 Ų14776%0.75577%0.769SS**  trans-69.2131.6169176.50000110.4
697M40.4Very low39.4Very low183 Ų183146.1 Ų146.190%0.90176%0.764SS**  trans-142.9105.8153.5-74.3-59.6163.900109.5
698N31.7Very low39.5Very low141 Ų141140.6 Ų140.675%0.75476%0.758SS**  trans-86.9146.8148.3-149.7-0.7000105.2
699P43.6Very low39.5Very low103 Ų103140.7 Ų140.767%0.66976%0.759SS**  -156.3-176.775.537-14.3000117.4
700T40.4Very low39.9Very low126 Ų126141.1 Ų141.177%0.77376%0.762SS**  trans75.1117.615024.30000121.2
701L36.6Very low40Very low166 Ų166138.7 Ų138.787%0.86976%0.755SS**  trans-65.5157.2146.4-75.7161.6000110.7
702P41.4Very low40.4Very low107 Ų107139.2 Ų139.270%0.69576%0.758SS**  -145132.9114.433.3-16.8000116.4
703H42Very low40.5Very low166 Ų166140 Ų14077%0.76976%0.757SS**  trans57.6130.7130.8-66.9-65.2000124.9
704L39.6Very low40.7Very low150 Ų150140 Ų14079%0.78577%0.768SS**  trans70.6108.9133.1-66.7168.3000121
705I40Very low41.4Very low161 Ų161137.7 Ų137.783%0.82677%0.77SS**  179142.9105.4-90.4156.9000110.3
706P37.9Very low41.7Very low95 Ų95135.6 Ų135.662%0.61777%0.771SS**  trans-102.9-172.1-177.440.1-36.2000115
707N37.2Very low41.9Very low142 Ų142137.6 Ų137.676%0.75978%0.779SS**  trans83.5149.3177.8-43.3-60.6000114.4
708T42.1Very low42.1Very low134 Ų134133.2 Ų133.282%0.82277%0.772SS**  cis-151.6157.95.2-190000111.1
709M39.7Very low42.5Very low173 Ų173132.4 Ų132.485%0.85277%0.774SS**  trans-75.4137.8174.7-90.5-75.8-178.300113.7
710P55.8Low42.1Very low113 Ų113139.3 Ų139.373%0.73479%0.787SS**  trans-98.2124.6165.334.3-28000112.4
711P41.6Very low42.3Very low113 Ų113141 Ų14173%0.73479%0.789SS**  trans-99.3112.8-18034.4-30.1000113.2
712Y42.8Very low42.5Very low218 Ų218137.2 Ų137.286%0.85578%0.775SS**  trans-137103.9167.1-107.5-104.1000109.8
713N45.9Very low42.2Very low129 Ų129136.7 Ų136.769%0.6978%0.78SS**  79.898.188.2-75.2-40.2000113.5
714G41.1Very low42.2Very low69 Ų69138.2 Ų138.271%0.71178%0.78SS**PPolyproline II helixtrans-80.8159.7166.700000112.7
715P54.9Low42.2Very low129 Ų129137 Ų13784%0.83878%0.781SS**PPolyproline II helixtrans-71.9150.9-177.829.6-35.1000112.9
716P46.2Very low41.9Very low122 Ų122141.4 Ų141.479%0.79279%0.787SS**PPolyproline II helixtrans-83.2157.2-167.333.3-37.3000114.8
717T39.4Very low41.8Very low150 Ų150140.3 Ų140.392%0.9279%0.794SS**PPolyproline II helixtrans-83134.9168.739.90000111.9
718A43.7Very low41.8Very low91 Ų91140.6 Ų140.675%0.75280%0.795SS**  trans-143.4158.7-178.900000109.2
719P41.4Very low41.8Very low123 Ų123139.5 Ų139.580%0.79979%0.793SS**  -108.1169.7-115.4-0.422.4000116.7
720R35.1Very low42.4Very low249 Ų249138.6 Ų138.694%0.9479%0.786SS**  trans-67.4128.8172.8-64.4177.6176.2-176.2-1.1112.4
721I44.7Very low42.1Very low160 Ų160137.7 Ų137.782%0.82179%0.788SS**  trans-141.7164152.70.5-178.8000107.8
722P39.9Very low42.6Very low87 Ų87142.7 Ų142.757%0.56579%0.793SS**  -113.7-179.9-119.724.1-3.1000115.7Y724P722-Y724 WeakPolarHBondContact O-CE2 3.29Å
723A34.8Very low43.3Very low97 Ų97137.4 Ų137.480%0.80278%0.779SS**  trans-78.3142.3-172.300000114.8
724Y42Very low43.8Very low198 Ų198138.3 Ų138.378%0.77678%0.784SS**  trans-130.4162169.6-45.4-62.5000109.6P722P722-Y724 WeakPolarHBondContact O-CE2 3.29Å
725P39.3Very low45.2Very low123 Ų123137.6 Ų137.680%0.79978%0.777SS**  trans-92.4166.2-155.135.5-37.2000116.9
726R33.7Very low46.4Very low254 Ų254137.4 Ų137.496%0.95877%0.765SS**  trans-9.1125.7165.7-62.5177.9176.6-178-1117.5
727G35.6Very low48.3Very low73 Ų73133.8 Ų133.875%0.75374%0.742SS**  trans-154101161.700000112.4S729G727-S729 PolarHBondContact O-N 3.29Å
728N37.8Very low50.7Low147 Ų147126.8 Ų126.879%0.78670%0.699SS**  trans-85.8104.9-179.5-168.379.2000110.6
729S42.7Very low52.8Low112 Ų112129.7 Ų129.778%0.78369%0.694SS**  trans-140.8102.1179.7-74.60000111.2G727G727-S729 PolarHBondContact O-N 3.29Å
730H51.9Low54.9Low153 Ų153130.5 Ų130.571%0.70869%0.685SS**PPolyproline II helixtrans-66.4145.5166.4-66.3-78.1000109.8R732H730-R732 PolarHBondContact O-N 3.35Å
731A50.5Low57.5Low94 Ų94122.5 Ų122.578%0.77766%0.658SS**PPolyproline II helixtrans-56.6122178.800000110.8
732R51.2Low59.4Low218 Ų218121.4 Ų121.482%0.82365%0.649SS**PPolyproline II helixtrans-70.4133168.3-69.2-179.6174.7178.9-1.5107.9H730 N734H730-R732 PolarHBondContact O-N 3.35Å; R732-N734 PolarHBondContact O-N 3.28Å
733N56.7Low61.4Low107 Ų107124.3 Ų124.357%0.57266%0.655SS**PPolyproline II helixtrans-76.4116.2177-1567.7000108.3G735N733-G735 PolarHBondContact O-N 2.97Å
734N57.3Low63.8Low148 Ų148123.2 Ų123.279%0.79165%0.654SS**SBendtrans-68.3132-164.5-80.7-24.2000112.6R732 Q736R732-N734 PolarHBondContact O-N 3.28Å; N734-Q736 PolarHBondContact O-N 2.97Å
735G70.9Confident65.8Low55 Ų55115.8 Ų115.857%0.56764%0.637SS**SBendtrans86.4-21.8160.200000118.5N733N733-G735 PolarHBondContact O-N 2.97Å
736Q80.2Confident68.2Low124 Ų124111.2 Ų111.258%0.57961%0.608SS**  trans-86.9128.7-172.3-72.3-64.5-34.300113.9N734 F754 M755N734-Q736 PolarHBondContact O-N 2.97Å; Q736-F754 HydrophobicContact CB-CD1 4.19Å; Q736-M755 PolarHBondContact O-N 3.28Å
737P86.3Confident70.7Confident47 Ų47110.7 Ų110.731%0.30561%0.606SS.*BIsolated β-bridgetrans-75.3146.917831.4-35000112.4K739P737-K739 PolarHBondContact O-N 3.16Å
738C88.5Confident72.9Confident2 Ų2111.7 Ų111.71%0.01459%0.594CS.*  trans-75.2106.8179.9-177.30000111.3F740 F741 Q742 F754 M755C738-F740 PolarHBondContact O-N 3.4Å; C738-F741 HydrophobicContact CB-CB 3.68Å; C738-F741 WeakPolarHBondContact O-CA 3.35Å; C738-F741 WeakPolarHBondContact O-CB 3.44Å; C738-F741 PolarHBondContact O-N 2.92Å; C738-F741 PolarHBondContact SG-N 3.02Å; C738-F741 VanDerWaalsContact SG-N 3.41Å; C738-Q742 PolarHBondContact O-N 3.35Å; C738-F754 HydrophobicContact CB-CB 3.7Å; C738-M755 WeakPolarHBondContact CB-O 3.48Å; C738-M755 PolarHBondContact N-O 3.48Å
739K87.4Confident74.8Confident153 Ų153106.2 Ų106.267%0.66557%0.572SS**Hα-helixtrans-51.8-38.7174.3-71.5-175.8176.1179.30112.8P737 F741 Q742 Q743P737-K739 PolarHBondContact O-N 3.16Å; K739-F741 VanDerWaalsContact C-N 3.33Å; K739-F741 PolarHBondContact O-N 3.46Å; K739-Q742 PolarHBondContact O-N 2.91Å; K739-Q743 WeakPolarHBondContact O-CB 3.45Å; K739-Q743 VanDerWaalsContact O-CG 3.3Å; K739-Q743 WeakPolarHBondContact O-CG 3.45Å; K739-Q743 PolarHBondContact O-N 3.08Å; K739-Q743 VanDerWaalsContact O-N 3.09Å
740F86Confident76.6Confident139 Ų139110.8 Ų110.861%0.6158%0.58SS**Hα-helixtrans-71-25.1176.6-62.3-73.1000113.3C738 G744 G745 C746C738-F740 PolarHBondContact O-N 3.4Å; F740-G744 PolarHBondContact O-N 3.26Å; F740-G745 CarbonylContact O-C 3.44Å; F740-G745 WeakPolarHBondContact O-CA 3.39Å; F740-G745 PolarHBondContact O-N 3.41Å; F740-C746 HydrophobicContact CB-CB 4.1Å; F740-C746 PolarHBondContact O-N 3.19Å
741F89.1Confident78Confident82 Ų82107.6 Ų107.636%0.3658%0.575SS.*Hα-helixtrans-76.8-43.2173.7-172.9-98.4000111C738 K739 Q743 G744 C746 H756 S757C738-F741 HydrophobicContact CB-CB 3.68Å; C738-F741 WeakPolarHBondContact O-CA 3.35Å; C738-F741 WeakPolarHBondContact O-CB 3.44Å; C738-F741 PolarHBondContact O-N 2.92Å; C738-F741 PolarHBondContact SG-N 3.02Å; C738-F741 VanDerWaalsContact SG-N 3.41Å; K739-F741 VanDerWaalsContact C-N 3.33Å; K739-F741 PolarHBondContact O-N 3.46Å; F741-Q743 PolarHBondContact O-N 3.2Å; F741-G744 PolarHBondContact O-N 2.85Å; F741-C746 HydrophobicContact CB-CB 4.07Å; F741-C746 HydrophobicContact CD2-CB 4.37Å; F741-H756 HydrophobicContact CD1-CB 4.01Å; F741-H756 HydrophobicContact CD2-CB 3.93Å; F741-H756 AromaticContact CD2-CD2 3.69Å; F741-H756 AromaticContact CD2-CE1 3.63Å; F741-H756 AromaticContact CD2-CG 3.42Å; F741-H756 VanDerWaalsContact CD2-CG 3.42Å; F741-H756 AromaticContact CD2-ND1 3.38Å; F741-H756 WeakPolarHBondContact CD2-ND1 3.46Å; F741-H756 AromaticContact CD2-NE2 3.81Å; F741-H756 HydrophobicContact CE1-CB 4.02Å; F741-H756 HydrophobicContact CE2-CB 3.93Å; F741-H756 AromaticContact CE2-CG 3.8Å; F741-H756 AromaticContact CE2-ND1 3.65Å; F741-H756 HydrophobicContact CG-CB 3.97Å; F741-H756 AromaticContact CG-CD2 3.61Å; F741-H756 AromaticContact CG-CG 3.64Å; F741-H756 HydrophobicContact CZ-CB 3.97Å; F741-S757 VanDerWaalsContact CE1-O 3.27Å; F741-S757 WeakPolarHBondContact CE1-O 3.27Å
742Q84.8Confident79.7Confident136 Ų136104.4 Ų104.464%0.63655%0.547SS*.Hα-helixtrans-57.4-29.7171.5-67.6174.9-35.900112.5C738 K739C738-Q742 PolarHBondContact O-N 3.35Å; K739-Q742 PolarHBondContact O-N 2.91Å
743Q82.7Confident81.3Confident148 Ų14899.1 Ų99.169%0.69254%0.535SS*.THydrogen-bonded Turntrans-92.79.5175.3-66.1172.5-0.400113.9K739 F741 G745K739-Q743 WeakPolarHBondContact O-CB 3.45Å; K739-Q743 VanDerWaalsContact O-CG 3.3Å; K739-Q743 WeakPolarHBondContact O-CG 3.45Å; K739-Q743 PolarHBondContact O-N 3.08Å; K739-Q743 VanDerWaalsContact O-N 3.09Å; F741-Q743 PolarHBondContact O-N 3.2Å; Q743-G745 PolarHBondContact O-N 3.02Å; Q743-G745 VanDerWaalsContact O-N 3.13Å
744G84.3Confident82.6Confident75 Ų7598.7 Ų98.777%0.77353%0.529SS*.THydrogen-bonded Turntrans67.97178.400000116F740 F741F740-G744 PolarHBondContact O-N 3.26Å; F741-G744 PolarHBondContact O-N 2.85Å
745G84.9Confident83.9Confident42 Ų4296.3 Ų96.343%0.43351%0.514SS..  trans-111.38.7-170.500000116.2F740 Q743 R747F740-G745 CarbonylContact O-C 3.44Å; F740-G745 WeakPolarHBondContact O-CA 3.39Å; F740-G745 PolarHBondContact O-N 3.41Å; Q743-G745 PolarHBondContact O-N 3.02Å; Q743-G745 VanDerWaalsContact O-N 3.13Å; G745-R747 WeakPolarHBondContact O-CG 3.38Å; G745-R747 PolarHBondContact O-N 2.87Å
746C88.7Confident84.7Confident27 Ų2796.6 Ų96.618%0.18250%0.5CS..  trans-68.2104.3-176-1730000112.5F740 F741 N748 H756F740-C746 HydrophobicContact CB-CB 4.1Å; F740-C746 PolarHBondContact O-N 3.19Å; F741-C746 HydrophobicContact CB-CB 4.07Å; F741-C746 HydrophobicContact CD2-CB 4.37Å; C746-N748 VanDerWaalsContact C-N 3.26Å; C746-N748 PolarHBondContact O-N 3.23Å; C746-H756 VanDerWaalsContact SG-CE1 3.55Å; C746-H756 PolarHBondContact SG-NE2 2.91Å
747R87Confident84.5Confident243 Ų24394 Ų9492%0.91750%0.496SS*.THydrogen-bonded Turntrans-75.3-11.2-178.6-50.7-175.478.1167.25.6114.1G745G745-R747 WeakPolarHBondContact O-CG 3.38Å; G745-R747 PolarHBondContact O-N 2.87Å
748N81Confident83.3Confident94 Ų94106.8 Ų106.850%0.50354%0.538SS..THydrogen-bonded Turntrans-89.8-18.8-175.2-68.240000113.4C746 H750 S751 C752C746-N748 VanDerWaalsContact C-N 3.26Å; C746-N748 PolarHBondContact O-N 3.23Å; N748-H750 PolarHBondContact O-N 3.09Å; N748-H750 VanDerWaalsContact O-N 3.16Å; N748-S751 PolarHBondContact O-N 3.47Å; N748-S751 PolarHBondContact O-OG 2.79Å; N748-C752 HydrophobicContact CB-CB 4.08Å
749G79.6Confident83.1Confident31 Ų31112 Ų11232%0.3256%0.564SS.*G310 helixtrans51.3-123-179.900000112.5S751 C752 H756G749-S751 PolarHBondContact O-N 2.98Å; G749-C752 PolarHBondContact O-N 3.13Å; G749-H756 PolarHBondContact O-CE1 3.47Å
750H78.8Confident82.8Confident208 Ų208109.8 Ų109.896%0.96356%0.559SS**G310 helixtrans-70.3-10.2-179.6-52.9107.8000115.1N748N748-H750 PolarHBondContact O-N 3.09Å; N748-H750 VanDerWaalsContact O-N 3.16Å
751S82.7Confident82.7Confident86 Ų86108.2 Ų108.260%0.60156%0.556SS**G310 helixtrans-103.525.8172.763.80000113N748 G749N748-S751 PolarHBondContact O-N 3.47Å; N748-S751 PolarHBondContact O-OG 2.79Å; G749-S751 PolarHBondContact O-N 2.98Å
752C85.1Confident82.3Confident27 Ų27109.8 Ų109.818%0.18257%0.568CS.*  trans-78.3133.6166.6-160.40000110.6N748 G749 F754 H756N748-C752 HydrophobicContact CB-CB 4.08Å; G749-C752 PolarHBondContact O-N 3.13Å; C752-F754 PolarHBondContact O-N 3.35Å; C752-H756 WeakPolarHBondContact CB-NE2 3.3Å
753N84.5Confident82.1Confident107 Ų107108.1 Ų108.157%0.57256%0.563SS**SBendtrans-79.81.8175.6-67.5-0.4000113.3
754F84.9Confident82.1Confident99 Ų99105.5 Ų105.543%0.43456%0.555SS.*SBendtrans-120.9153.6-179.4-60.9-84.4000110.2Q736 C738 C752Q736-F754 HydrophobicContact CB-CD1 4.19Å; C738-F754 HydrophobicContact CB-CB 3.7Å; C752-F754 PolarHBondContact O-N 3.35Å
755M83.7Confident81.9Confident98 Ų98107.6 Ų107.648%0.48354%0.539SS..BIsolated β-bridgetrans-70.6134.7-172.9-71.3-177.26100113.3Q736 C738Q736-M755 PolarHBondContact O-N 3.28Å; C738-M755 WeakPolarHBondContact CB-O 3.48Å; C738-M755 PolarHBondContact N-O 3.48Å
756H88.4Confident81.7Confident60 Ų60112.7 Ų112.728%0.27855%0.547SS..  trans-98.373.3169.1-70.6-173.3000109.4F741 C746 G749 C752 R758F741-H756 HydrophobicContact CD1-CB 4.01Å; F741-H756 HydrophobicContact CD2-CB 3.93Å; F741-H756 AromaticContact CD2-CD2 3.69Å; F741-H756 AromaticContact CD2-CE1 3.63Å; F741-H756 AromaticContact CD2-CG 3.42Å; F741-H756 VanDerWaalsContact CD2-CG 3.42Å; F741-H756 AromaticContact CD2-ND1 3.38Å; F741-H756 WeakPolarHBondContact CD2-ND1 3.46Å; F741-H756 AromaticContact CD2-NE2 3.81Å; F741-H756 HydrophobicContact CE1-CB 4.02Å; F741-H756 HydrophobicContact CE2-CB 3.93Å; F741-H756 AromaticContact CE2-CG 3.8Å; F741-H756 AromaticContact CE2-ND1 3.65Å; F741-H756 HydrophobicContact CG-CB 3.97Å; F741-H756 AromaticContact CG-CD2 3.61Å; F741-H756 AromaticContact CG-CG 3.64Å; F741-H756 HydrophobicContact CZ-CB 3.97Å; C746-H756 VanDerWaalsContact SG-CE1 3.55Å; C746-H756 PolarHBondContact SG-NE2 2.91Å; G749-H756 PolarHBondContact O-CE1 3.47Å; C752-H756 WeakPolarHBondContact CB-NE2 3.3Å; H756-R758 PolarHBondContact O-N 3.2Å
757S75.8Confident81.1Confident71 Ų71119.8 Ų119.850%0.49758%0.578SS.*  trans-65.4127.7171.4-500000109.5F741F741-S757 VanDerWaalsContact CE1-O 3.27Å; F741-S757 WeakPolarHBondContact CE1-O 3.27Å
758R61.8Low80.6Confident314 Ų314108.6 Ų108.6100%1.18555%0.547SS*.  trans-72.50171.5-79.2-170.2174.3-156.70.1111.7H756H756-R758 PolarHBondContact O-N 3.2Å

Retrieved 758 of 758 residues in 945 ms (Link to these results)

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