A0A3Q0KC63_SCHMA Loading...

Cytochrome c oxidase assembly factor 7B

AlphaFold DB , UniProt , Accession A0A3Q0KC63, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 256 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
1M38.6Very low60.9Low245 Ų245118 Ų118100%1.20766%0.661SS**  088.30-71.2170.3178.200107.2D3M1-D3 PolarHBondContact O-N 2.95Å
2T44.9Very low63.2Low135 Ų135115.9 Ų115.983%0.82866%0.656SS**  trans-85.194.9169.146.30000105.7S4T2-S4 PolarHBondContact O-N 3.45Å
3D50Low65.4Low151 Ų151116.3 Ų116.381%0.80765%0.649SS**  trans-6578.1159.9-176.816.3000106.6M1 G5M1-D3 PolarHBondContact O-N 2.95Å; D3-G5 PolarHBondContact O-N 2.77Å
4S53.7Low67.3Low77 Ų77114.2 Ų114.254%0.53863%0.632SS.*  trans-65.891.8158.9530000103.3T2 I6T2-S4 PolarHBondContact O-N 3.45Å; S4-I6 PolarHBondContact O-N 2.73Å
5G54.6Low68.7Low57 Ų57112.1 Ų112.159%0.58862%0.617SS**  trans-61.962.1178.200000111D3 L7D3-G5 PolarHBondContact O-N 2.77Å; G5-L7 PolarHBondContact O-N 3.34Å
6I58.3Low70.1Confident139 Ų139110.2 Ų110.271%0.71360%0.602SS**  trans-64.996.7170.9-69.8173.9000102.9S4 S8S4-I6 PolarHBondContact O-N 2.73Å; I6-S8 VanDerWaalsContact C-N 3.3Å; I6-S8 PolarHBondContact O-N 3.26Å
7L62.1Low71.5Confident93 Ų93108.4 Ų108.449%0.48759%0.591SS.*  trans-54.9100.6169.1-73.8155.3000106.4G5 F9 Y18G5-L7 PolarHBondContact O-N 3.34Å; L7-F9 HydrophobicContact CB-CD2 4.1Å; L7-F9 HydrophobicContact CB-CE1 4.17Å; L7-F9 HydrophobicContact CB-CE2 3.49Å; L7-F9 VanDerWaalsContact CB-CE2 3.49Å; L7-F9 HydrophobicContact CB-CZ 3.54Å; L7-F9 HydrophobicContact CD1-CE2 4.28Å; L7-F9 HydrophobicContact CD1-CZ 3.87Å; L7-F9 HydrophobicContact CD2-CZ 4.41Å; L7-F9 HydrophobicContact CG-CE2 4.46Å; L7-F9 HydrophobicContact CG-CZ 4.14Å; L7-F9 WeakPolarHBondContact O-CD2 3.49Å; L7-F9 PolarHBondContact O-N 3.2Å; L7-Y18 HydrophobicContact CD1-CE1 4.05Å
8S72.4Confident72.7Confident99 Ų99107.2 Ų107.269%0.69258%0.577SS**  trans-77.677.7178.267.80000108.3I6 K10I6-S8 VanDerWaalsContact C-N 3.3Å; I6-S8 PolarHBondContact O-N 3.26Å; S8-K10 PolarHBondContact O-N 2.79Å
9F70.6Confident73.8Confident74 Ų74104.3 Ų104.333%0.32556%0.561SS.*  trans-66.9128.4168.9-55-70.3000108.2L7 M15 Y18L7-F9 HydrophobicContact CB-CD2 4.1Å; L7-F9 HydrophobicContact CB-CE1 4.17Å; L7-F9 HydrophobicContact CB-CE2 3.49Å; L7-F9 VanDerWaalsContact CB-CE2 3.49Å; L7-F9 HydrophobicContact CB-CZ 3.54Å; L7-F9 HydrophobicContact CD1-CE2 4.28Å; L7-F9 HydrophobicContact CD1-CZ 3.87Å; L7-F9 HydrophobicContact CD2-CZ 4.41Å; L7-F9 HydrophobicContact CG-CE2 4.46Å; L7-F9 HydrophobicContact CG-CZ 4.14Å; L7-F9 WeakPolarHBondContact O-CD2 3.49Å; L7-F9 PolarHBondContact O-N 3.2Å; F9-M15 HydrophobicContact CB-CB 4.21Å; F9-M15 HydrophobicContact CD1-CB 4.05Å; F9-M15 HydrophobicContact CD2-CB 4.12Å; F9-M15 HydrophobicContact CD2-CG 4Å; F9-M15 HydrophobicContact CE1-CB 4.44Å; F9-M15 HydrophobicContact CE2-CB 4.5Å; F9-M15 HydrophobicContact CE2-CG 4.01Å; F9-M15 HydrophobicContact CG-CB 3.86Å; F9-M15 HydrophobicContact CG-CG 4.25Å; F9-M15 HydrophobicContact CZ-CG 4.28Å; F9-Y18 AromaticContact CE1-CD1 3.74Å; F9-Y18 HydrophobicContact CE1-CD1 3.74Å; F9-Y18 HydrophobicContact CE1-CD2 4.49Å; F9-Y18 HydrophobicContact CE1-CE1 4.4Å; F9-Y18 AromaticContact CE1-CG 3.77Å; F9-Y18 HydrophobicContact CE1-CG 3.77Å; F9-Y18 AromaticContact CZ-CD1 3.61Å; F9-Y18 HydrophobicContact CZ-CD1 3.61Å; F9-Y18 AromaticContact CZ-CE1 3.97Å; F9-Y18 HydrophobicContact CZ-CE1 3.97Å; F9-Y18 HydrophobicContact CZ-CG 4.14Å
10K75.6Confident74.8Confident176 Ų176102.8 Ų102.877%0.76555%0.549SS*.SBendtrans-83.7-23.9178.6-58.4177.61791770111.1S8 E14S8-K10 PolarHBondContact O-N 2.79Å; K10-E14 WeakPolarHBondContact CA-OE2 3.49Å; K10-E14 VanDerWaalsContact CB-OE2 3.26Å; K10-E14 WeakPolarHBondContact CB-OE2 3.25Å; K10-E14 PolarHBondContact N-OE2 2.91Å
11T88.9Confident75.8Confident52 Ų52102.9 Ų102.932%0.31955%0.549SS..SBendtrans-144.2158-179.7740000113.4E13 E14 M15T11-E13 VanDerWaalsContact CB-OE2 3.31Å; T11-E13 WeakPolarHBondContact CB-OE2 3.18Å; T11-E13 PolarHBondContact O-N 2.89Å; T11-E13 PolarHBondContact OG1-N 3.16Å; T11-E13 PolarHBondContact OG1-OE2 3.07Å; T11-E14 PolarHBondContact O-N 3.46Å; T11-E14 WeakPolarHBondContact OG1-CG 3.42Å; T11-E14 PolarHBondContact OG1-N 3.23Å; T11-E14 VanDerWaalsContact OG1-N 3.12Å; T11-M15 PolarHBondContact O-N 3.46Å
12P88.8Confident78.5Confident93 Ų9393.8 Ų93.860%0.60451%0.505SS*.Hα-helixtrans-55.8-34.4169.1-26.236.1000113.6M15 H16P12-M15 PolarHBondContact O-N 3.39Å; P12-H16 WeakPolarHBondContact O-CB 3.46Å; P12-H16 PolarHBondContact O-N 3.14Å
13E91.5Very high81Confident121 Ų12187.3 Ų87.357%0.56547%0.466SS*.Hα-helixtrans-65.2-45.5178-65.870.2-152.300111.4T11 M15 H16 D17T11-E13 VanDerWaalsContact CB-OE2 3.31Å; T11-E13 WeakPolarHBondContact CB-OE2 3.18Å; T11-E13 PolarHBondContact O-N 2.89Å; T11-E13 PolarHBondContact OG1-N 3.16Å; T11-E13 PolarHBondContact OG1-OE2 3.07Å; E13-M15 VanDerWaalsContact C-N 3.29Å; E13-M15 PolarHBondContact O-N 3.42Å; E13-H16 WeakPolarHBondContact O-CB 3.3Å; E13-H16 PolarHBondContact O-N 2.59Å; E13-D17 PolarHBondContact O-N 2.82Å
14E92.1Very high83.2Confident87 Ų8785 Ų8541%0.40745%0.453SS..Hα-helixtrans-59.7-41.6175.8-74.1177.7176.900111.4K10 T11 Y18K10-E14 WeakPolarHBondContact CA-OE2 3.49Å; K10-E14 VanDerWaalsContact CB-OE2 3.26Å; K10-E14 WeakPolarHBondContact CB-OE2 3.25Å; K10-E14 PolarHBondContact N-OE2 2.91Å; T11-E14 PolarHBondContact O-N 3.46Å; T11-E14 WeakPolarHBondContact OG1-CG 3.42Å; T11-E14 PolarHBondContact OG1-N 3.23Å; T11-E14 VanDerWaalsContact OG1-N 3.12Å; E14-Y18 VanDerWaalsContact O-CB 3.29Å; E14-Y18 WeakPolarHBondContact O-CB 3.46Å; E14-Y18 PolarHBondContact O-N 2.89Å
15M88.9Confident85.3Confident82 Ų8283.2 Ų83.240%0.40445%0.446SS..Hα-helixtrans-65.9-41.4176.5-174.6-107.2-75.300111.7F9 T11 P12 E13 Y18 M19F9-M15 HydrophobicContact CB-CB 4.21Å; F9-M15 HydrophobicContact CD1-CB 4.05Å; F9-M15 HydrophobicContact CD2-CB 4.12Å; F9-M15 HydrophobicContact CD2-CG 4Å; F9-M15 HydrophobicContact CE1-CB 4.44Å; F9-M15 HydrophobicContact CE2-CB 4.5Å; F9-M15 HydrophobicContact CE2-CG 4.01Å; F9-M15 HydrophobicContact CG-CB 3.86Å; F9-M15 HydrophobicContact CG-CG 4.25Å; F9-M15 HydrophobicContact CZ-CG 4.28Å; T11-M15 PolarHBondContact O-N 3.46Å; P12-M15 PolarHBondContact O-N 3.39Å; E13-M15 VanDerWaalsContact C-N 3.29Å; E13-M15 PolarHBondContact O-N 3.42Å; M15-Y18 PolarHBondContact O-N 3.36Å; M15-M19 WeakPolarHBondContact O-CB 3.33Å; M15-M19 VanDerWaalsContact O-CG 3.25Å; M15-M19 WeakPolarHBondContact O-CG 3.24Å; M15-M19 PolarHBondContact O-N 3.37Å; M15-M19 HydrophobicContact SD-CG 4.29Å
16H91.1Very high87.3Confident82 Ų8283.3 Ų83.338%0.3843%0.431SS..Hα-helixtrans-62.7-45.7177.6-178.467.5000112.3P12 E13 M19 K20 Y49P12-H16 WeakPolarHBondContact O-CB 3.46Å; P12-H16 PolarHBondContact O-N 3.14Å; E13-H16 WeakPolarHBondContact O-CB 3.3Å; E13-H16 PolarHBondContact O-N 2.59Å; H16-M19 PolarHBondContact O-N 3.17Å; H16-K20 VanDerWaalsContact CD2-CE 3.48Å; H16-K20 WeakPolarHBondContact CD2-CE 3.09Å; H16-K20 PolarHBondContact CD2-NZ 3.44Å; H16-K20 VanDerWaalsContact CD2-NZ 3.27Å; H16-K20 WeakPolarHBondContact NE2-CE 3.48Å; H16-K20 PolarHBondContact NE2-NZ 3.12Å; H16-K20 VanDerWaalsContact NE2-NZ 3.17Å; H16-K20 WeakPolarHBondContact O-CG 3.26Å; H16-K20 PolarHBondContact O-N 2.94Å; H16-Y49 PolarHBondContact CE1-OH 3.29Å; H16-Y49 AromaticContact ND1-CZ 3.9Å; H16-Y49 PolarHBondContact ND1-OH 3.27Å; H16-Y49 PolarHBondContact O-OH 3.31Å
17D93Very high89.2Confident79 Ų7980.1 Ų80.142%0.42241%0.413SS..Hα-helixtrans-69.7-37.5179.6-74.1-17.3000112E13 K20 N21E13-D17 PolarHBondContact O-N 2.82Å; D17-K20 PolarHBondContact O-N 3.32Å; D17-K20 IonicContact OD1-NZ 3.29Å; D17-K20 PolarHBondContact OD1-NZ 3.45Å; D17-N21 WeakPolarHBondContact O-CB 3.48Å; D17-N21 PolarHBondContact O-N 3.29Å; D17-N21 PolarHBondContact O-ND2 3.41Å
18Y92.8Very high91Very high87 Ų8781.8 Ų81.834%0.34141%0.414SS..Hα-helixtrans-59.2-48.2170.3174.9-100.2000111.9L7 F9 E14 M15 K20 N21 L22L7-Y18 HydrophobicContact CD1-CE1 4.05Å; F9-Y18 AromaticContact CE1-CD1 3.74Å; F9-Y18 HydrophobicContact CE1-CD1 3.74Å; F9-Y18 HydrophobicContact CE1-CD2 4.49Å; F9-Y18 HydrophobicContact CE1-CE1 4.4Å; F9-Y18 AromaticContact CE1-CG 3.77Å; F9-Y18 HydrophobicContact CE1-CG 3.77Å; F9-Y18 AromaticContact CZ-CD1 3.61Å; F9-Y18 HydrophobicContact CZ-CD1 3.61Å; F9-Y18 AromaticContact CZ-CE1 3.97Å; F9-Y18 HydrophobicContact CZ-CE1 3.97Å; F9-Y18 HydrophobicContact CZ-CG 4.14Å; E14-Y18 VanDerWaalsContact O-CB 3.29Å; E14-Y18 WeakPolarHBondContact O-CB 3.46Å; E14-Y18 PolarHBondContact O-N 2.89Å; M15-Y18 PolarHBondContact O-N 3.36Å; Y18-K20 VanDerWaalsContact C-N 3.33Å; Y18-K20 PolarHBondContact O-N 3.48Å; Y18-N21 PolarHBondContact O-N 3.34Å; Y18-L22 HydrophobicContact CD1-CD1 3.9Å; Y18-L22 HydrophobicContact CD1-CG 4.36Å; Y18-L22 HydrophobicContact CE1-CD1 3.24Å; Y18-L22 HydrophobicContact CE1-CG 3.91Å; Y18-L22 HydrophobicContact CE2-CD1 4.43Å; Y18-L22 HydrophobicContact CE2-CD2 4.48Å; Y18-L22 HydrophobicContact CE2-CG 4.28Å; Y18-L22 PolarHBondContact O-N 3.26Å
19M93.6Very high92.2Very high53 Ų5377.7 Ų77.726%0.26139%0.385SS..Hα-helixtrans-64.6-36.2179.4-71.6-62.5156.900112.4M15 H16 L22 G23 W45 Y49M15-M19 WeakPolarHBondContact O-CB 3.33Å; M15-M19 VanDerWaalsContact O-CG 3.25Å; M15-M19 WeakPolarHBondContact O-CG 3.24Å; M15-M19 PolarHBondContact O-N 3.37Å; M15-M19 HydrophobicContact SD-CG 4.29Å; H16-M19 PolarHBondContact O-N 3.17Å; M19-L22 HydrophobicContact CE-CD1 4.42Å; M19-L22 HydrophobicContact SD-CD1 3.98Å; M19-G23 PolarHBondContact O-N 2.04Å; M19-G23 VanDerWaalsContact O-N 3.1Å; M19-W45 PolarHBondContact O-NE1 3.23Å; M19-Y49 HydrophobicContact CB-CD2 4.02Å; M19-Y49 HydrophobicContact CB-CE1 4.08Å; M19-Y49 HydrophobicContact CB-CE2 3.47Å; M19-Y49 VanDerWaalsContact CB-CE2 3.47Å; M19-Y49 VanDerWaalsContact CB-CZ 3.49Å; M19-Y49 HydrophobicContact CG-CD2 4.32Å; M19-Y49 HydrophobicContact CG-CE2 3.97Å
20K94.8Very high93.5Very high74 Ų7474.5 Ų74.532%0.32237%0.371SS..Hα-helixtrans-60.6-49171-77.9173.2179.9160.60111.9H16 D17 Y18 L22 G23 L24H16-K20 VanDerWaalsContact CD2-CE 3.48Å; H16-K20 WeakPolarHBondContact CD2-CE 3.09Å; H16-K20 PolarHBondContact CD2-NZ 3.44Å; H16-K20 VanDerWaalsContact CD2-NZ 3.27Å; H16-K20 WeakPolarHBondContact NE2-CE 3.48Å; H16-K20 PolarHBondContact NE2-NZ 3.12Å; H16-K20 VanDerWaalsContact NE2-NZ 3.17Å; H16-K20 WeakPolarHBondContact O-CG 3.26Å; H16-K20 PolarHBondContact O-N 2.94Å; D17-K20 PolarHBondContact O-N 3.32Å; D17-K20 IonicContact OD1-NZ 3.29Å; D17-K20 PolarHBondContact OD1-NZ 3.45Å; Y18-K20 VanDerWaalsContact C-N 3.33Å; Y18-K20 PolarHBondContact O-N 3.48Å; K20-L22 VanDerWaalsContact C-N 3.32Å; K20-L22 PolarHBondContact O-N 3.01Å; K20-G23 PolarHBondContact O-N 3.38Å; K20-G23 VanDerWaalsContact O-N 3.12Å; K20-L24 PolarHBondContact O-N 2.9Å
21N95.5Very high94.5Very high105 Ų10570.6 Ų70.656%0.56136%0.358SS*.Hα-helixtrans-64.4-37.6-178.5-72.3-25.8000112D17 Y18 L24 G25D17-N21 WeakPolarHBondContact O-CB 3.48Å; D17-N21 PolarHBondContact O-N 3.29Å; D17-N21 PolarHBondContact O-ND2 3.41Å; Y18-N21 PolarHBondContact O-N 3.34Å; N21-L24 PolarHBondContact O-N 2.95Å; N21-G25 PolarHBondContact O-N 2.92Å
22L95.1Very high94.9Very high53 Ų5376.5 Ų76.528%0.27737%0.374SS..Hα-helixtrans-58.3-47.2170.3-78.1-178.4000112Y18 M19 K20 L24 G25 F26Y18-L22 HydrophobicContact CD1-CD1 3.9Å; Y18-L22 HydrophobicContact CD1-CG 4.36Å; Y18-L22 HydrophobicContact CE1-CD1 3.24Å; Y18-L22 HydrophobicContact CE1-CG 3.91Å; Y18-L22 HydrophobicContact CE2-CD1 4.43Å; Y18-L22 HydrophobicContact CE2-CD2 4.48Å; Y18-L22 HydrophobicContact CE2-CG 4.28Å; Y18-L22 PolarHBondContact O-N 3.26Å; M19-L22 HydrophobicContact CE-CD1 4.42Å; M19-L22 HydrophobicContact SD-CD1 3.98Å; K20-L22 VanDerWaalsContact C-N 3.32Å; K20-L22 PolarHBondContact O-N 3.01Å; L22-L24 VanDerWaalsContact C-N 3.35Å; L22-L24 PolarHBondContact O-N 3.18Å; L22-G25 PolarHBondContact O-N 3.28Å; L22-F26 HydrophobicContact CB-CE2 4.13Å; L22-F26 HydrophobicContact CB-CZ 4.38Å; L22-F26 HydrophobicContact CD2-CZ 4.42Å; L22-F26 VanDerWaalsContact O-CD2 3.26Å; L22-F26 WeakPolarHBondContact O-CD2 3.09Å; L22-F26 VanDerWaalsContact O-CG 3.28Å; L22-F26 WeakPolarHBondContact O-CG 3.26Å; L22-F26 PolarHBondContact O-N 2.99Å
23G96.9Very high95.2Very high0 Ų077.6 Ų77.60%037%0.371CS..Hα-helixtrans-57.4-45.8177.500000113M19 K20 G25 F26 E27 W45M19-G23 PolarHBondContact O-N 2.04Å; M19-G23 VanDerWaalsContact O-N 3.1Å; K20-G23 PolarHBondContact O-N 3.38Å; K20-G23 VanDerWaalsContact O-N 3.12Å; G23-G25 VanDerWaalsContact C-N 3.34Å; G23-G25 PolarHBondContact O-N 2.95Å; G23-F26 PolarHBondContact O-N 3.49Å; G23-E27 WeakPolarHBondContact O-CB 3.01Å; G23-E27 PolarHBondContact O-N 3.48Å; G23-W45 VanDerWaalsContact CA-CE2 3.41Å
24L96.8Very high95.5Very high103 Ų10376 Ų7654%0.53937%0.367SS..Hα-helixtrans-62.1-40.1176.2-68.7173.2000112.1K20 N21 L22 E27 Y28K20-L24 PolarHBondContact O-N 2.9Å; N21-L24 PolarHBondContact O-N 2.95Å; L22-L24 VanDerWaalsContact C-N 3.35Å; L22-L24 PolarHBondContact O-N 3.18Å; L24-E27 PolarHBondContact O-N 2.99Å; L24-Y28 WeakPolarHBondContact O-CB 3.46Å; L24-Y28 PolarHBondContact O-N 2.93Å
25G97.3Very high95.8Very high39 Ų3974.5 Ų74.540%0.40236%0.362SS..Hα-helixtrans-63.2-44.8175.500000112.5N21 L22 G23 S29N21-G25 PolarHBondContact O-N 2.92Å; L22-G25 PolarHBondContact O-N 3.28Å; G23-G25 VanDerWaalsContact C-N 3.34Å; G23-G25 PolarHBondContact O-N 2.95Å; G25-S29 WeakPolarHBondContact O-CB 3.32Å; G25-S29 PolarHBondContact O-N 2.76Å; G25-S29 VanDerWaalsContact O-N 3.07Å
26F98.2Very high96.2Very high58 Ų5872.5 Ų72.525%0.25436%0.355SS..Hα-helixtrans-63.5-43.6176.3-58-37.8000112L22 G23 C30 W42 W45L22-F26 HydrophobicContact CB-CE2 4.13Å; L22-F26 HydrophobicContact CB-CZ 4.38Å; L22-F26 HydrophobicContact CD2-CZ 4.42Å; L22-F26 VanDerWaalsContact O-CD2 3.26Å; L22-F26 WeakPolarHBondContact O-CD2 3.09Å; L22-F26 VanDerWaalsContact O-CG 3.28Å; L22-F26 WeakPolarHBondContact O-CG 3.26Å; L22-F26 PolarHBondContact O-N 2.99Å; G23-F26 PolarHBondContact O-N 3.49Å; F26-C30 WeakPolarHBondContact O-CB 3.41Å; F26-C30 PolarHBondContact O-N 2.91Å; F26-W42 HydrophobicContact CB-CB 3.66Å; F26-W42 HydrophobicContact CB-CG 4.29Å; F26-W45 HydrophobicContact CD2-CB 4.09Å; F26-W45 HydrophobicContact CD2-CG 4.38Å; F26-W45 HydrophobicContact CE2-CB 4.41Å
27E98.2Very high96.6Very high73 Ų7372.1 Ų72.134%0.34136%0.358SS..Hα-helixtrans-59.9-52.5176.5-179.7170-172.500111.5G23 L24 S29 C30 I31 W42G23-E27 WeakPolarHBondContact O-CB 3.01Å; G23-E27 PolarHBondContact O-N 3.48Å; L24-E27 PolarHBondContact O-N 2.99Å; E27-S29 PolarHBondContact O-N 2.8Å; E27-C30 PolarHBondContact O-N 3.19Å; E27-I31 HydrophobicContact CG-CD1 3.66Å; E27-I31 HydrophobicContact CG-CG1 4.41Å; E27-I31 WeakPolarHBondContact O-CB 3.39Å; E27-I31 WeakPolarHBondContact O-CG1 3.39Å; E27-I31 PolarHBondContact O-N 3.38Å; E27-W42 HydrophobicContact CB-CD2 4.05Å; E27-W42 HydrophobicContact CB-CG 4.27Å; E27-W42 HydrophobicContact CB-CZ2 4Å; E27-W42 HydrophobicContact CG-CD2 4.31Å; E27-W42 HydrophobicContact CG-CH2 3.96Å; E27-W42 HydrophobicContact CG-CZ2 3.48Å; E27-W42 VanDerWaalsContact CG-CZ2 3.48Å
28Y98.1Very high96.8Very high128 Ų12869.2 Ų69.250%0.50234%0.344SS..Hα-helixtrans-56.3-51.4-179.4178.1-88.6000111L24 C30 I31 R32 E33L24-Y28 WeakPolarHBondContact O-CB 3.46Å; L24-Y28 PolarHBondContact O-N 2.93Å; Y28-C30 PolarHBondContact O-N 3.22Å; Y28-I31 PolarHBondContact O-N 3.22Å; Y28-R32 HydrophobicContact CD2-CB 4.42Å; Y28-R32 HydrophobicContact CD2-CG 3.8Å; Y28-R32 HydrophobicContact CE1-CB 4.28Å; Y28-R32 HydrophobicContact CE2-CB 4.2Å; Y28-R32 HydrophobicContact CE2-CG 3.74Å; Y28-R32 HydrophobicContact CG-CG 4.31Å; Y28-R32 WeakPolarHBondContact O-CA 3.21Å; Y28-R32 WeakPolarHBondContact O-CB 3.47Å; Y28-R32 WeakPolarHBondContact O-CG 3.26Å; Y28-R32 PolarHBondContact O-N 3.48Å; Y28-E33 HydrophobicContact CE1-CG 4.47Å
29S97.6Very high97.1Very high13 Ų1365.1 Ų65.19%0.09133%0.328CS..Hα-helixtrans-67.5-35.2-179.1-178.20000112.1G25 E27 E33 N34 N35 S38G25-S29 WeakPolarHBondContact O-CB 3.32Å; G25-S29 PolarHBondContact O-N 2.76Å; G25-S29 VanDerWaalsContact O-N 3.07Å; E27-S29 PolarHBondContact O-N 2.8Å; S29-E33 VanDerWaalsContact CB-OE2 3.24Å; S29-E33 WeakPolarHBondContact CB-OE2 3.28Å; S29-E33 CarbonylContact O-C 3.5Å; S29-E33 WeakPolarHBondContact O-CA 3.43Å; S29-E33 VanDerWaalsContact O-CB 3.3Å; S29-E33 WeakPolarHBondContact O-CB 3.07Å; S29-E33 PolarHBondContact O-N 2.91Å; S29-E33 PolarHBondContact OG-OE2 2.85Å; S29-N34 PolarHBondContact O-N 3.39Å; S29-N35 PolarHBondContact O-N 3.1Å; S29-N35 VanDerWaalsContact O-N 3.16Å; S29-N35 WeakPolarHBondContact OG-CB 3.41Å; S29-S38 VanDerWaalsContact CB-OG 3.27Å; S29-S38 WeakPolarHBondContact CB-OG 3.27Å; S29-S38 WeakPolarHBondContact OG-CB 3.44Å; S29-S38 PolarHBondContact OG-OG 3.47Å
30C98.3Very high97.3Very high6 Ų664 Ų644%0.04132%0.322CS..Hα-helixtrans-62.8-50.4173.7176.40000112.3F26 E27 Y28 N34 C39 W42F26-C30 WeakPolarHBondContact O-CB 3.41Å; F26-C30 PolarHBondContact O-N 2.91Å; E27-C30 PolarHBondContact O-N 3.19Å; Y28-C30 PolarHBondContact O-N 3.22Å; C30-N34 VanDerWaalsContact O-CA 3.25Å; C30-N34 WeakPolarHBondContact O-CA 3.5Å; C30-N34 PolarHBondContact O-N 3.04Å; C30-C39 WeakPolarHBondContact CA-SG 3.48Å; C30-C39 HydrophobicContact CB-CB 3.87Å; C30-C39 WeakPolarHBondContact CB-SG 3.39Å; C30-C39 WeakPolarHBondContact SG-CA 3.04Å; C30-C39 WeakPolarHBondContact SG-CB 3.36Å; C30-C39 CovalentContact SG-SG 2.04Å; C30-C39 PolarHBondContact SG-SG 3.39Å; C30-W42 HydrophobicContact CB-CE3 4.04Å
31I97Very high97.5Very high94 Ų9462.2 Ų62.248%0.48232%0.319SS..Hα-helixtrans-79.9-47-172.1-63.6177000111.2E27 Y28 W42E27-I31 HydrophobicContact CG-CD1 3.66Å; E27-I31 HydrophobicContact CG-CG1 4.41Å; E27-I31 WeakPolarHBondContact O-CB 3.39Å; E27-I31 WeakPolarHBondContact O-CG1 3.39Å; E27-I31 PolarHBondContact O-N 3.38Å; Y28-I31 PolarHBondContact O-N 3.22Å; I31-W42 HydrophobicContact CD1-CH2 3.83Å; I31-W42 HydrophobicContact CD1-CZ3 4.09Å; I31-W42 HydrophobicContact CG1-CH2 4.34Å; I31-W42 HydrophobicContact CG1-CZ3 4.09Å
32R96.8Very high97.7Very high176 Ų17659.1 Ų59.166%0.66430%0.299SS*.Hα-helixtrans-86.5-37.6-171-60-61.1-58.7-85.9-5.2113Y28Y28-R32 HydrophobicContact CD2-CB 4.42Å; Y28-R32 HydrophobicContact CD2-CG 3.8Å; Y28-R32 HydrophobicContact CE1-CB 4.28Å; Y28-R32 HydrophobicContact CE2-CB 4.2Å; Y28-R32 HydrophobicContact CE2-CG 3.74Å; Y28-R32 HydrophobicContact CG-CG 4.31Å; Y28-R32 WeakPolarHBondContact O-CA 3.21Å; Y28-R32 WeakPolarHBondContact O-CB 3.47Å; Y28-R32 WeakPolarHBondContact O-CG 3.26Å; Y28-R32 PolarHBondContact O-N 3.48Å
33E96.5Very high97.8Very high116 Ų11656.6 Ų56.654%0.54229%0.286SS..SBendtrans-100-3.5-177.7-53.1171169.500111.9Y28 S29 N35Y28-E33 HydrophobicContact CE1-CG 4.47Å; S29-E33 VanDerWaalsContact CB-OE2 3.24Å; S29-E33 WeakPolarHBondContact CB-OE2 3.28Å; S29-E33 CarbonylContact O-C 3.5Å; S29-E33 WeakPolarHBondContact O-CA 3.43Å; S29-E33 VanDerWaalsContact O-CB 3.3Å; S29-E33 WeakPolarHBondContact O-CB 3.07Å; S29-E33 PolarHBondContact O-N 2.91Å; S29-E33 PolarHBondContact OG-OE2 2.85Å; E33-N35 HydrophobicContact CB-CB 4.44Å; E33-N35 PolarHBondContact O-N 3.28Å; E33-N35 VanDerWaalsContact O-N 3.14Å
34N96.5Very high97.9Very high89 Ų8958.4 Ų58.448%0.47630%0.296SS..  trans56.426.6-177.8-159.142.6000112.8S29 C30 P36 R67S29-N34 PolarHBondContact O-N 3.39Å; C30-N34 VanDerWaalsContact O-CA 3.25Å; C30-N34 WeakPolarHBondContact O-CA 3.5Å; C30-N34 PolarHBondContact O-N 3.04Å; N34-P36 WeakPolarHBondContact O-CD 3.41Å; N34-R67 PolarHBondContact OD1-NE 3.49Å; N34-R67 PolarHBondContact OD1-NH2 3.07Å
35N98.1Very high97.9Very high54 Ų5455.2 Ų55.229%0.28928%0.277SS..  trans-76.8116.6-172.1-177.7-32.1000110.7S29 E33 V37 S38 C39S29-N35 PolarHBondContact O-N 3.1Å; S29-N35 VanDerWaalsContact O-N 3.16Å; S29-N35 WeakPolarHBondContact OG-CB 3.41Å; E33-N35 HydrophobicContact CB-CB 4.44Å; E33-N35 PolarHBondContact O-N 3.28Å; E33-N35 VanDerWaalsContact O-N 3.14Å; N35-V37 VanDerWaalsContact C-N 3.35Å; N35-V37 PolarHBondContact O-N 3.47Å; N35-V37 WeakPolarHBondContact OD1-CB 3.27Å; N35-V37 PolarHBondContact OD1-N 2.96Å; N35-S38 PolarHBondContact O-N 3.31Å; N35-S38 PolarHBondContact OD1-N 3.02Å; N35-C39 PolarHBondContact O-N 3.32Å; N35-C39 PolarHBondContact O-SG 3.43Å; N35-C39 VanDerWaalsContact O-SG 3.34Å
36P98.3Very high97.9Very high41 Ų4153.8 Ų53.827%0.26626%0.26SS..Hα-helixtrans-69.3-30.3-174.928.1-35.1000113.5N34 C39 H40 N63 R67 Y69N34-P36 WeakPolarHBondContact O-CD 3.41Å; P36-C39 PolarHBondContact O-N 3.41Å; P36-H40 PolarHBondContact O-N 3.39Å; P36-N63 WeakPolarHBondContact CA-OD1 3.42Å; P36-N63 WeakPolarHBondContact CB-OD1 3.29Å; P36-N63 PolarHBondContact O-ND2 3.38Å; P36-R67 HydrophobicContact CB-CB 4.14Å; P36-Y69 HydrophobicContact CB-CD1 4.48Å; P36-Y69 HydrophobicContact CB-CD2 3.59Å; P36-Y69 HydrophobicContact CB-CE2 4.31Å; P36-Y69 HydrophobicContact CB-CG 3.71Å; P36-Y69 HydrophobicContact CG-CD2 4.02Å; P36-Y69 HydrophobicContact CG-CE2 4.47Å
37V98.3Very high97.9Very high74 Ų7451.5 Ų51.545%0.44825%0.251SS..Hα-helixtrans-66.7-45175-177.80000109.4N35 C39 H40 S41 Y69N35-V37 VanDerWaalsContact C-N 3.35Å; N35-V37 PolarHBondContact O-N 3.47Å; N35-V37 WeakPolarHBondContact OD1-CB 3.27Å; N35-V37 PolarHBondContact OD1-N 2.96Å; V37-C39 PolarHBondContact O-N 3.37Å; V37-H40 WeakPolarHBondContact O-CB 3.43Å; V37-H40 PolarHBondContact O-N 3.08Å; V37-S41 PolarHBondContact O-N 2.84Å; V37-S41 PolarHBondContact O-OG 2.98Å; V37-Y69 HydrophobicContact CG2-CE2 4.03Å
38S98.3Very high97.7Very high17 Ų1752 Ų5212%0.11926%0.257CS..Hα-helixtrans-64-40.1176.9-57.50000112.1S29 N35 H40 S41 W42S29-S38 VanDerWaalsContact CB-OG 3.27Å; S29-S38 WeakPolarHBondContact CB-OG 3.27Å; S29-S38 WeakPolarHBondContact OG-CB 3.44Å; S29-S38 PolarHBondContact OG-OG 3.47Å; N35-S38 PolarHBondContact O-N 3.31Å; N35-S38 PolarHBondContact OD1-N 3.02Å; S38-H40 VanDerWaalsContact C-N 3.33Å; S38-H40 PolarHBondContact O-N 3.31Å; S38-S41 PolarHBondContact O-N 3.47Å; S38-W42 WeakPolarHBondContact O-CB 3.29Å; S38-W42 PolarHBondContact O-N 3.2Å
39C98.7Very high97.5Very high1 Ų149 Ų491%0.00725%0.245CC..Hα-helixtrans-61.4-40.4173.3-67.50000112.6C30 N35 P36 V37 W42 A43 I59 N63C30-C39 WeakPolarHBondContact CA-SG 3.48Å; C30-C39 HydrophobicContact CB-CB 3.87Å; C30-C39 WeakPolarHBondContact CB-SG 3.39Å; C30-C39 WeakPolarHBondContact SG-CA 3.04Å; C30-C39 WeakPolarHBondContact SG-CB 3.36Å; C30-C39 CovalentContact SG-SG 2.04Å; C30-C39 PolarHBondContact SG-SG 3.39Å; N35-C39 PolarHBondContact O-N 3.32Å; N35-C39 PolarHBondContact O-SG 3.43Å; N35-C39 VanDerWaalsContact O-SG 3.34Å; P36-C39 PolarHBondContact O-N 3.41Å; V37-C39 PolarHBondContact O-N 3.37Å; C39-W42 PolarHBondContact O-N 2.75Å; C39-A43 WeakPolarHBondContact O-CB 3.43Å; C39-A43 PolarHBondContact O-N 3.49Å; C39-I59 HydrophobicContact CB-CG2 4.38Å; C39-I59 VanDerWaalsContact O-CG2 3.32Å; C39-I59 WeakPolarHBondContact O-CG2 3.37Å; C39-N63 HydrophobicContact CB-CB 4.08Å
40H98.7Very high97.4Very high29 Ų2952.8 Ų52.813%0.13426%0.26CS..Hα-helixtrans-61.4-51.1174.3-171.795000110.9P36 V37 S38 W42 A43 L44 N63 Y69 D71 S72P36-H40 PolarHBondContact O-N 3.39Å; V37-H40 WeakPolarHBondContact O-CB 3.43Å; V37-H40 PolarHBondContact O-N 3.08Å; S38-H40 VanDerWaalsContact C-N 3.33Å; S38-H40 PolarHBondContact O-N 3.31Å; H40-W42 VanDerWaalsContact C-N 3.33Å; H40-W42 PolarHBondContact O-N 3.5Å; H40-A43 WeakPolarHBondContact O-CB 3.46Å; H40-A43 PolarHBondContact O-N 3.34Å; H40-L44 WeakPolarHBondContact O-CG 3.45Å; H40-L44 PolarHBondContact O-N 2.79Å; H40-N63 PolarHBondContact N-ND2 2.9Å; H40-Y69 HydrophobicContact CB-CD1 4Å; H40-Y69 HydrophobicContact CB-CE1 3.64Å; H40-Y69 AromaticContact CG-CE1 3.92Å; H40-Y69 AromaticContact ND1-CE1 3.97Å; H40-D71 PolarHBondContact CE1-O 2.74Å; H40-S72 PolarHBondContact ND1-N 3.45Å; H40-S72 PolarHBondContact ND1-OG 2.85Å
41S98.5Very high97.3Very high37 Ų3758.9 Ų58.926%0.25929%0.285SS..Hα-helixtrans-59.3-41.8178.1-63.50000112.5V37 S38 A43 L44 W45V37-S41 PolarHBondContact O-N 2.84Å; V37-S41 PolarHBondContact O-OG 2.98Å; S38-S41 PolarHBondContact O-N 3.47Å; S41-A43 PolarHBondContact O-N 2.87Å; S41-L44 PolarHBondContact O-N 3.41Å; S41-W45 WeakPolarHBondContact O-CB 3.28Å; S41-W45 PolarHBondContact O-N 2.91Å
42W98.6Very high97.2Very high40 Ų4058.2 Ų58.215%0.15228%0.282CS..Hα-helixtrans-62.5-43.7176.7-173.539.1000111.6F26 E27 C30 I31 S38 C39 H40 L44 W45 C46 I59F26-W42 HydrophobicContact CB-CB 3.66Å; F26-W42 HydrophobicContact CB-CG 4.29Å; E27-W42 HydrophobicContact CB-CD2 4.05Å; E27-W42 HydrophobicContact CB-CG 4.27Å; E27-W42 HydrophobicContact CB-CZ2 4Å; E27-W42 HydrophobicContact CG-CD2 4.31Å; E27-W42 HydrophobicContact CG-CH2 3.96Å; E27-W42 HydrophobicContact CG-CZ2 3.48Å; E27-W42 VanDerWaalsContact CG-CZ2 3.48Å; C30-W42 HydrophobicContact CB-CE3 4.04Å; I31-W42 HydrophobicContact CD1-CH2 3.83Å; I31-W42 HydrophobicContact CD1-CZ3 4.09Å; I31-W42 HydrophobicContact CG1-CH2 4.34Å; I31-W42 HydrophobicContact CG1-CZ3 4.09Å; S38-W42 WeakPolarHBondContact O-CB 3.29Å; S38-W42 PolarHBondContact O-N 3.2Å; C39-W42 PolarHBondContact O-N 2.75Å; H40-W42 VanDerWaalsContact C-N 3.33Å; H40-W42 PolarHBondContact O-N 3.5Å; W42-L44 VanDerWaalsContact C-N 3.34Å; W42-L44 PolarHBondContact O-N 3.44Å; W42-W45 WeakPolarHBondContact O-CB 3.42Å; W42-W45 PolarHBondContact O-N 3.24Å; W42-C46 PolarHBondContact O-N 2.86Å; W42-C46 PolarHBondContact O-SG 3.38Å; W42-C46 VanDerWaalsContact O-SG 3.41Å; W42-I59 HydrophobicContact CD2-CD1 3.76Å; W42-I59 HydrophobicContact CE3-CD1 3.59Å; W42-I59 HydrophobicContact CE3-CG1 4.02Å; W42-I59 HydrophobicContact CE3-CG2 3.95Å; W42-I59 HydrophobicContact CG-CD1 4.44Å; W42-I59 HydrophobicContact CH2-CD1 4.1Å; W42-I59 HydrophobicContact CZ2-CD1 4.25Å; W42-I59 HydrophobicContact CZ3-CD1 3.77Å; W42-I59 HydrophobicContact CZ3-CG1 3.96Å; W42-I59 HydrophobicContact CZ3-CG2 4.47Å
43A98.5Very high97.3Very high0 Ų050.1 Ų50.10%025%0.252CS..Hα-helixtrans-60.7-43.8175.400000112.5C39 H40 S41 W45 C46 S47 G56 I59 L60C39-A43 WeakPolarHBondContact O-CB 3.43Å; C39-A43 PolarHBondContact O-N 3.49Å; H40-A43 WeakPolarHBondContact O-CB 3.46Å; H40-A43 PolarHBondContact O-N 3.34Å; S41-A43 PolarHBondContact O-N 2.87Å; A43-W45 VanDerWaalsContact C-N 3.31Å; A43-W45 PolarHBondContact O-N 3.27Å; A43-C46 PolarHBondContact O-N 2.94Å; A43-S47 PolarHBondContact O-N 3.33Å; A43-S47 PolarHBondContact O-OG 2.91Å; A43-G56 WeakPolarHBondContact CB-O 3.44Å; A43-I59 HydrophobicContact CB-CB 3.8Å; A43-I59 HydrophobicContact CB-CG2 3.76Å; A43-L60 HydrophobicContact CB-CD2 3.73Å; A43-L60 HydrophobicContact CB-CG 3.62Å
44L98Very high97.3Very high39 Ų3947.2 Ų47.220%0.20424%0.243CC..Hα-helixtrans-64.9-39.2177.3-59.8-158.5000111.5H40 S41 W42 S47 N48 L60 R75H40-L44 WeakPolarHBondContact O-CG 3.45Å; H40-L44 PolarHBondContact O-N 2.79Å; S41-L44 PolarHBondContact O-N 3.41Å; W42-L44 VanDerWaalsContact C-N 3.34Å; W42-L44 PolarHBondContact O-N 3.44Å; L44-S47 PolarHBondContact O-N 2.93Å; L44-N48 WeakPolarHBondContact O-CB 3.33Å; L44-N48 VanDerWaalsContact O-CG 3.28Å; L44-N48 PolarHBondContact O-N 3.31Å; L44-N48 PolarHBondContact O-ND2 3.1Å; L44-L60 HydrophobicContact CD2-CD2 4.46Å; L44-R75 HydrophobicContact CD2-CG 4.19Å
45W98.1Very high97.4Very high36 Ų3646.7 Ų46.714%0.13624%0.24CC..Hα-helixtrans-63.4-44.6175.5-177.296000111.6M19 G23 F26 S41 W42 A43 S47 Y49 K50M19-W45 PolarHBondContact O-NE1 3.23Å; G23-W45 VanDerWaalsContact CA-CE2 3.41Å; F26-W45 HydrophobicContact CD2-CB 4.09Å; F26-W45 HydrophobicContact CD2-CG 4.38Å; F26-W45 HydrophobicContact CE2-CB 4.41Å; S41-W45 WeakPolarHBondContact O-CB 3.28Å; S41-W45 PolarHBondContact O-N 2.91Å; W42-W45 WeakPolarHBondContact O-CB 3.42Å; W42-W45 PolarHBondContact O-N 3.24Å; A43-W45 VanDerWaalsContact C-N 3.31Å; A43-W45 PolarHBondContact O-N 3.27Å; W45-S47 PolarHBondContact O-N 3.18Å; W45-Y49 HydrophobicContact CD2-CD1 4.13Å; W45-Y49 AromaticContact CE2-CD1 3.33Å; W45-Y49 AromaticContact CE2-CE1 3.89Å; W45-Y49 HydrophobicContact CH2-CD1 4.29Å; W45-Y49 HydrophobicContact CH2-CE1 4.48Å; W45-Y49 AromaticContact CZ2-CD1 3.42Å; W45-Y49 HydrophobicContact CZ2-CD1 3.42Å; W45-Y49 VanDerWaalsContact CZ2-CD1 3.42Å; W45-Y49 AromaticContact CZ2-CE1 3.56Å; W45-Y49 HydrophobicContact CZ2-CE1 3.56Å; W45-Y49 AromaticContact NE1-CD1 3.45Å; W45-Y49 AromaticContact NE1-CG 3.93Å; W45-Y49 WeakPolarHBondContact O-CA 3.32Å; W45-Y49 WeakPolarHBondContact O-CB 3.02Å; W45-Y49 PolarHBondContact O-N 3.39Å; W45-K50 HydrophobicContact CE3-CG 3.89Å; W45-K50 HydrophobicContact CH2-CD 3.89Å; W45-K50 HydrophobicContact CH2-CG 3.51Å; W45-K50 HydrophobicContact CZ2-CD 4.41Å; W45-K50 HydrophobicContact CZ2-CG 4.12Å; W45-K50 HydrophobicContact CZ3-CD 4.21Å; W45-K50 HydrophobicContact CZ3-CG 3.33Å; W45-K50 PolarHBondContact O-N 3.43Å
46C97.6Very high97.4Very high8 Ų844.1 Ų44.15%0.05423%0.226CC..Hα-helixtrans-57.8-50174.1-76.20000111.6W42 A43 K50 K51 L52W42-C46 PolarHBondContact O-N 2.86Å; W42-C46 PolarHBondContact O-SG 3.38Å; W42-C46 VanDerWaalsContact O-SG 3.41Å; A43-C46 PolarHBondContact O-N 2.94Å; C46-K50 CarbonylContact O-C 3.49Å; C46-K50 WeakPolarHBondContact O-CB 3.43Å; C46-K50 PolarHBondContact O-N 3.41Å; C46-K51 PolarHBondContact O-N 2.81Å; C46-K51 VanDerWaalsContact O-N 3.07Å; C46-L52 PolarHBondContact O-N 3.18Å
47S96.7Very high97.4Very high10 Ų1042.2 Ų42.27%0.0721%0.214CC..Hα-helixtrans-67.7-44.7-179.1-63.70000113.1A43 L44 W45 K51A43-S47 PolarHBondContact O-N 3.33Å; A43-S47 PolarHBondContact O-OG 2.91Å; L44-S47 PolarHBondContact O-N 2.93Å; W45-S47 PolarHBondContact O-N 3.18Å; S47-K51 WeakPolarHBondContact O-CA 3.42Å
48N94.5Very high97.4Very high85 Ų8543.4 Ų43.446%0.45522%0.218SC..Hα-helixtrans-90.8-41.9-168.4-65.3-18000112.8L44 K51L44-N48 WeakPolarHBondContact O-CB 3.33Å; L44-N48 VanDerWaalsContact O-CG 3.28Å; L44-N48 PolarHBondContact O-N 3.31Å; L44-N48 PolarHBondContact O-ND2 3.1Å; N48-K51 WeakPolarHBondContact O-CD 3.49Å; N48-K51 VanDerWaalsContact O-CE 3.23Å; N48-K51 WeakPolarHBondContact O-CE 3.23Å; N48-K51 PolarHBondContact O-NZ 3.12Å
49Y94.7Very high97.4Very high64 Ų6443.7 Ų43.725%0.25122%0.218SC..THydrogen-bonded Turntrans-93.5-50.7-175.4175.7-102.4000111.4H16 M19 W45 K51H16-Y49 PolarHBondContact CE1-OH 3.29Å; H16-Y49 AromaticContact ND1-CZ 3.9Å; H16-Y49 PolarHBondContact ND1-OH 3.27Å; H16-Y49 PolarHBondContact O-OH 3.31Å; M19-Y49 HydrophobicContact CB-CD2 4.02Å; M19-Y49 HydrophobicContact CB-CE1 4.08Å; M19-Y49 HydrophobicContact CB-CE2 3.47Å; M19-Y49 VanDerWaalsContact CB-CE2 3.47Å; M19-Y49 VanDerWaalsContact CB-CZ 3.49Å; M19-Y49 HydrophobicContact CG-CD2 4.32Å; M19-Y49 HydrophobicContact CG-CE2 3.97Å; W45-Y49 HydrophobicContact CD2-CD1 4.13Å; W45-Y49 AromaticContact CE2-CD1 3.33Å; W45-Y49 AromaticContact CE2-CE1 3.89Å; W45-Y49 HydrophobicContact CH2-CD1 4.29Å; W45-Y49 HydrophobicContact CH2-CE1 4.48Å; W45-Y49 AromaticContact CZ2-CD1 3.42Å; W45-Y49 HydrophobicContact CZ2-CD1 3.42Å; W45-Y49 VanDerWaalsContact CZ2-CD1 3.42Å; W45-Y49 AromaticContact CZ2-CE1 3.56Å; W45-Y49 HydrophobicContact CZ2-CE1 3.56Å; W45-Y49 AromaticContact NE1-CD1 3.45Å; W45-Y49 AromaticContact NE1-CG 3.93Å; W45-Y49 WeakPolarHBondContact O-CA 3.32Å; W45-Y49 WeakPolarHBondContact O-CB 3.02Å; W45-Y49 PolarHBondContact O-N 3.39Å; Y49-K51 VanDerWaalsContact C-N 3.31Å; Y49-K51 PolarHBondContact O-N 3.45Å
50K95.4Very high97.4Very high93 Ų9343.7 Ų43.740%0.40422%0.218SC..SBendtrans-79.2-11.3176.7-67.7-64.6-170.3173.90114.5W45 C46 L52W45-K50 HydrophobicContact CE3-CG 3.89Å; W45-K50 HydrophobicContact CH2-CD 3.89Å; W45-K50 HydrophobicContact CH2-CG 3.51Å; W45-K50 HydrophobicContact CZ2-CD 4.41Å; W45-K50 HydrophobicContact CZ2-CG 4.12Å; W45-K50 HydrophobicContact CZ3-CD 4.21Å; W45-K50 HydrophobicContact CZ3-CG 3.33Å; W45-K50 PolarHBondContact O-N 3.43Å; C46-K50 CarbonylContact O-C 3.49Å; C46-K50 WeakPolarHBondContact O-CB 3.43Å; C46-K50 PolarHBondContact O-N 3.41Å; K50-L52 HydrophobicContact CB-CB 4.44Å; K50-L52 HydrophobicContact CB-CD1 3.99Å; K50-L52 HydrophobicContact CB-CG 3.96Å; K50-L52 PolarHBondContact O-N 3.34Å
51K95.2Very high97.4Very high133 Ų13346.1 Ų46.158%0.57823%0.228SC*.  trans59.722-175.2-50.1-57.5-175.9-170.90113.7C46 S47 N48 Y49 V53C46-K51 PolarHBondContact O-N 2.81Å; C46-K51 VanDerWaalsContact O-N 3.07Å; S47-K51 WeakPolarHBondContact O-CA 3.42Å; N48-K51 WeakPolarHBondContact O-CD 3.49Å; N48-K51 VanDerWaalsContact O-CE 3.23Å; N48-K51 WeakPolarHBondContact O-CE 3.23Å; N48-K51 PolarHBondContact O-NZ 3.12Å; Y49-K51 VanDerWaalsContact C-N 3.31Å; Y49-K51 PolarHBondContact O-N 3.45Å; K51-V53 PolarHBondContact O-N 3.12Å
52L96.1Very high97.4Very high80 Ų8048.4 Ų48.442%0.41924%0.235SC..  trans-91.272.2176.3-62.5175.9000109.5C46 K50 T54 N55 G56C46-L52 PolarHBondContact O-N 3.18Å; K50-L52 HydrophobicContact CB-CB 4.44Å; K50-L52 HydrophobicContact CB-CD1 3.99Å; K50-L52 HydrophobicContact CB-CG 3.96Å; K50-L52 PolarHBondContact O-N 3.34Å; L52-T54 PolarHBondContact O-N 3.22Å; L52-N55 HydrophobicContact CB-CB 4.04Å; L52-N55 PolarHBondContact O-N 2.78Å; L52-G56 PolarHBondContact O-N 3.45Å
53V96.9Very high97.4Very high6 Ų646.5 Ų46.54%0.03623%0.227CC..Hα-helixtrans-61.6-41.4-172.7178.90000112.1K51 G56 A57 D84 I87K51-V53 PolarHBondContact O-N 3.12Å; V53-G56 PolarHBondContact O-N 3.48Å; V53-A57 WeakPolarHBondContact O-CB 3.32Å; V53-A57 PolarHBondContact O-N 3.16Å; V53-D84 HydrophobicContact CG1-CB 3.9Å; V53-I87 HydrophobicContact CG1-CG1 4.04Å
54T98.1Very high97.5Very high56 Ų5646.5 Ų46.534%0.34423%0.227SC..Hα-helixtrans-63.9-47178.649.10000111.8L52 G56 A57 D58 I87L52-T54 PolarHBondContact O-N 3.22Å; T54-G56 VanDerWaalsContact C-N 3.32Å; T54-G56 PolarHBondContact O-N 2.86Å; T54-A57 WeakPolarHBondContact O-CB 3.35Å; T54-A57 PolarHBondContact O-N 2.96Å; T54-A57 VanDerWaalsContact O-N 3.1Å; T54-D58 PolarHBondContact O-N 3.5Å; T54-I87 HydrophobicContact CG2-CD1 4.06Å
55N97.7Very high97.5Very high77 Ų7748.1 Ų48.141%0.41223%0.233SC..Hα-helixtrans-60.3-44176.5-6244.6000111.2L52 A57 D58 I59L52-N55 HydrophobicContact CB-CB 4.04Å; L52-N55 PolarHBondContact O-N 2.78Å; N55-A57 VanDerWaalsContact C-N 3.33Å; N55-A57 PolarHBondContact O-N 3.02Å; N55-D58 PolarHBondContact O-N 2.8Å; N55-I59 WeakPolarHBondContact O-CD1 3.16Å; N55-I59 VanDerWaalsContact O-CG1 3.26Å; N55-I59 WeakPolarHBondContact O-CG1 3.31Å; N55-I59 PolarHBondContact O-N 2.96Å
56G98.1Very high97.5Very high0 Ų052.9 Ų52.90%025%0.254CS..Hα-helixtrans-60.9-42.417500000112.1A43 L52 V53 T54 D58 I59 L60A43-G56 WeakPolarHBondContact CB-O 3.44Å; L52-G56 PolarHBondContact O-N 3.45Å; V53-G56 PolarHBondContact O-N 3.48Å; T54-G56 VanDerWaalsContact C-N 3.32Å; T54-G56 PolarHBondContact O-N 2.86Å; G56-D58 PolarHBondContact O-N 3.24Å; G56-I59 PolarHBondContact O-N 2.92Å; G56-L60 VanDerWaalsContact O-CG 3.29Å; G56-L60 WeakPolarHBondContact O-CG 3.48Å; G56-L60 PolarHBondContact O-N 3.21Å
57A98.6Very high97.5Very high1 Ų154.5 Ų54.51%0.00826%0.259CS..Hα-helixtrans-62.2-40.8176.200000112.5V53 T54 N55 L60 K61 Y76 L79 I87V53-A57 WeakPolarHBondContact O-CB 3.32Å; V53-A57 PolarHBondContact O-N 3.16Å; T54-A57 WeakPolarHBondContact O-CB 3.35Å; T54-A57 PolarHBondContact O-N 2.96Å; T54-A57 VanDerWaalsContact O-N 3.1Å; N55-A57 VanDerWaalsContact C-N 3.33Å; N55-A57 PolarHBondContact O-N 3.02Å; A57-L60 PolarHBondContact O-N 3.4Å; A57-K61 WeakPolarHBondContact O-CB 3.34Å; A57-K61 PolarHBondContact O-N 3.48Å; A57-Y76 HydrophobicContact CB-CE2 4.47Å; A57-Y76 WeakPolarHBondContact O-CD2 3.39Å; A57-L79 HydrophobicContact CB-CD1 4.14Å; A57-I87 HydrophobicContact CB-CD1 3.61Å; A57-I87 HydrophobicContact CB-CG1 4.23Å
58D98.5Very high97.5Very high99 Ų9957.6 Ų57.653%0.52928%0.275SS..Hα-helixtrans-64.6-43.1177.5-69.4-27.2000111.8T54 N55 G56 L60 K61 E62T54-D58 PolarHBondContact O-N 3.5Å; N55-D58 PolarHBondContact O-N 2.8Å; G56-D58 PolarHBondContact O-N 3.24Å; D58-L60 PolarHBondContact O-N 3.31Å; D58-K61 WeakPolarHBondContact O-CB 3.33Å; D58-K61 PolarHBondContact O-N 2.99Å; D58-E62 PolarHBondContact O-N 2.73Å
59I98.7Very high97.7Very high23 Ų2355.8 Ų55.812%0.11826%0.262CS..Hα-helixtrans-63.2-43175.3-61.4159000110.4C39 W42 A43 N55 G56 E62 N63C39-I59 HydrophobicContact CB-CG2 4.38Å; C39-I59 VanDerWaalsContact O-CG2 3.32Å; C39-I59 WeakPolarHBondContact O-CG2 3.37Å; W42-I59 HydrophobicContact CD2-CD1 3.76Å; W42-I59 HydrophobicContact CE3-CD1 3.59Å; W42-I59 HydrophobicContact CE3-CG1 4.02Å; W42-I59 HydrophobicContact CE3-CG2 3.95Å; W42-I59 HydrophobicContact CG-CD1 4.44Å; W42-I59 HydrophobicContact CH2-CD1 4.1Å; W42-I59 HydrophobicContact CZ2-CD1 4.25Å; W42-I59 HydrophobicContact CZ3-CD1 3.77Å; W42-I59 HydrophobicContact CZ3-CG1 3.96Å; W42-I59 HydrophobicContact CZ3-CG2 4.47Å; A43-I59 HydrophobicContact CB-CB 3.8Å; A43-I59 HydrophobicContact CB-CG2 3.76Å; N55-I59 WeakPolarHBondContact O-CD1 3.16Å; N55-I59 VanDerWaalsContact O-CG1 3.26Å; N55-I59 WeakPolarHBondContact O-CG1 3.31Å; N55-I59 PolarHBondContact O-N 2.96Å; G56-I59 PolarHBondContact O-N 2.92Å; I59-E62 PolarHBondContact O-N 2.87Å; I59-N63 VanDerWaalsContact O-CB 3.23Å; I59-N63 WeakPolarHBondContact O-CB 3.43Å; I59-N63 PolarHBondContact O-N 3.36Å
60L98.8Very high97.9Very high1 Ų153 Ų531%0.00525%0.253CS..Hα-helixtrans-62.2-43.3175.6-68.9167.9000111.7A43 L44 G56 A57 D58 N63 C64 S72 R75 Y76 L79A43-L60 HydrophobicContact CB-CD2 3.73Å; A43-L60 HydrophobicContact CB-CG 3.62Å; L44-L60 HydrophobicContact CD2-CD2 4.46Å; G56-L60 VanDerWaalsContact O-CG 3.29Å; G56-L60 WeakPolarHBondContact O-CG 3.48Å; G56-L60 PolarHBondContact O-N 3.21Å; A57-L60 PolarHBondContact O-N 3.4Å; D58-L60 PolarHBondContact O-N 3.31Å; L60-N63 PolarHBondContact O-N 2.57Å; L60-C64 VanDerWaalsContact O-CB 3.28Å; L60-C64 WeakPolarHBondContact O-CB 3.42Å; L60-C64 PolarHBondContact O-N 3.23Å; L60-S72 WeakPolarHBondContact CD2-OG 3.16Å; L60-R75 HydrophobicContact CD1-CB 3.99Å; L60-R75 HydrophobicContact CD1-CG 3.44Å; L60-R75 VanDerWaalsContact CD1-CG 3.44Å; L60-R75 HydrophobicContact CD2-CB 4.11Å; L60-R75 HydrophobicContact CD2-CG 4.13Å; L60-R75 HydrophobicContact CG-CG 4.43Å; L60-Y76 HydrophobicContact CB-CD2 4.47Å; L60-L79 HydrophobicContact CD1-CD1 3.87Å
61K98.8Very high98Very high81 Ų8151.2 Ų51.235%0.35225%0.248SC..Hα-helixtrans-59.4-52177.6-176-177.5-176.2151.50110.7A57 D58 N63 C64 F65 Y76 E93A57-K61 WeakPolarHBondContact O-CB 3.34Å; A57-K61 PolarHBondContact O-N 3.48Å; D58-K61 WeakPolarHBondContact O-CB 3.33Å; D58-K61 PolarHBondContact O-N 2.99Å; K61-N63 PolarHBondContact O-N 3.43Å; K61-C64 WeakPolarHBondContact O-CB 3.46Å; K61-C64 PolarHBondContact O-N 2.89Å; K61-F65 HydrophobicContact CG-CD2 3.9Å; K61-F65 HydrophobicContact CG-CE2 3.99Å; K61-F65 VanDerWaalsContact O-CD2 3.27Å; K61-F65 WeakPolarHBondContact O-CD2 3.46Å; K61-F65 PolarHBondContact O-N 3.02Å; K61-F65 VanDerWaalsContact O-N 3.08Å; K61-Y76 HydrophobicContact CB-CD1 4.33Å; K61-Y76 HydrophobicContact CB-CD2 3.9Å; K61-Y76 HydrophobicContact CB-CE1 4.13Å; K61-Y76 HydrophobicContact CB-CE2 3.67Å; K61-Y76 HydrophobicContact CB-CG 4.23Å; K61-Y76 HydrophobicContact CD-CE1 4.29Å; K61-Y76 HydrophobicContact CD-CE2 4.29Å; K61-Y76 WeakPolarHBondContact CD-OH 3.16Å; K61-Y76 HydrophobicContact CG-CD1 4.41Å; K61-Y76 HydrophobicContact CG-CE1 3.87Å; K61-Y76 HydrophobicContact CG-CE2 4.15Å; K61-E93 IonicContact NZ-OE1 3.64Å; K61-E93 PolarHBondContact NZ-OE1 3.24Å
62E98.6Very high98.2Very high85 Ų8544.9 Ų44.940%0.39722%0.22SC..Hα-helixtrans-60.5-47.4178.7-169.5-170.1141.300110.6D58 I59 C64 F65 K66 R67D58-E62 PolarHBondContact O-N 2.73Å; I59-E62 PolarHBondContact O-N 2.87Å; E62-C64 VanDerWaalsContact C-N 3.29Å; E62-C64 PolarHBondContact O-N 3.42Å; E62-F65 PolarHBondContact O-N 2.69Å; E62-K66 HydrophobicContact CG-CB 4.11Å; E62-K66 HydrophobicContact CG-CD 3.82Å; E62-K66 WeakPolarHBondContact O-CA 3.34Å; E62-K66 WeakPolarHBondContact O-CB 3.43Å; E62-K66 PolarHBondContact O-N 3.21Å; E62-K66 VanDerWaalsContact OE1-CD 3.26Å; E62-K66 WeakPolarHBondContact OE1-CD 3.22Å; E62-K66 IonicContact OE1-NZ 2.95Å; E62-K66 PolarHBondContact OE1-NZ 3.38Å; E62-R67 IonicContact OE1-CZ 3.27Å; E62-R67 IonicContact OE1-NH1 2.89Å; E62-R67 PolarHBondContact OE1-NH1 3.26Å; E62-R67 IonicContact OE1-NH2 3.45Å; E62-R67 PolarHBondContact OE1-NH2 3.47Å
63N98.7Very high98.3Very high0 Ų041.1 Ų41.10%020%0.2CC..Hα-helixtrans-62.6-36.8-179.6-163.434.9000112.5P36 C39 H40 I59 L60 K61 R67 N68 Y69 S72P36-N63 WeakPolarHBondContact CA-OD1 3.42Å; P36-N63 WeakPolarHBondContact CB-OD1 3.29Å; P36-N63 PolarHBondContact O-ND2 3.38Å; C39-N63 HydrophobicContact CB-CB 4.08Å; H40-N63 PolarHBondContact N-ND2 2.9Å; I59-N63 VanDerWaalsContact O-CB 3.23Å; I59-N63 WeakPolarHBondContact O-CB 3.43Å; I59-N63 PolarHBondContact O-N 3.36Å; L60-N63 PolarHBondContact O-N 2.57Å; K61-N63 PolarHBondContact O-N 3.43Å; N63-R67 WeakPolarHBondContact O-CB 3.4Å; N63-R67 PolarHBondContact O-N 3.31Å; N63-R67 WeakPolarHBondContact OD1-CD 3.46Å; N63-N68 PolarHBondContact O-N 2.89Å; N63-Y69 VanDerWaalsContact ND2-CD1 3.34Å; N63-Y69 WeakPolarHBondContact ND2-CD1 3.37Å; N63-Y69 PolarHBondContact O-N 3.45Å; N63-S72 PolarHBondContact ND2-OG 3.49Å
64C98.8Very high98.4Very high0 Ų044.8 Ų44.80%021%0.214CC..Hα-helixtrans-60-59173.6172.60000111.7L60 K61 E62 N68 C73 H100L60-C64 VanDerWaalsContact O-CB 3.28Å; L60-C64 WeakPolarHBondContact O-CB 3.42Å; L60-C64 PolarHBondContact O-N 3.23Å; K61-C64 WeakPolarHBondContact O-CB 3.46Å; K61-C64 PolarHBondContact O-N 2.89Å; E62-C64 VanDerWaalsContact C-N 3.29Å; E62-C64 PolarHBondContact O-N 3.42Å; C64-N68 WeakPolarHBondContact O-CA 3.23Å; C64-N68 PolarHBondContact O-N 2.83Å; C64-N68 VanDerWaalsContact O-N 3.12Å; C64-C73 WeakPolarHBondContact CA-SG 3.26Å; C64-C73 HydrophobicContact CB-CB 3.89Å; C64-C73 WeakPolarHBondContact CB-SG 3.12Å; C64-C73 WeakPolarHBondContact SG-CA 3.17Å; C64-C73 WeakPolarHBondContact SG-CB 3.37Å; C64-C73 CovalentContact SG-SG 2.04Å; C64-C73 PolarHBondContact SG-SG 3.4Å; C64-H100 PolarHBondContact O-CD2 3.25Å; C64-H100 PolarHBondContact O-NE2 2.96Å
65F98.5Very high98.4Very high73 Ų7345.9 Ų45.932%0.3221%0.212SC..Hα-helixtrans-84.3-32.2-168.8-66.7-67.2000113.8K61 E62 Y76 A97 H100K61-F65 HydrophobicContact CG-CD2 3.9Å; K61-F65 HydrophobicContact CG-CE2 3.99Å; K61-F65 VanDerWaalsContact O-CD2 3.27Å; K61-F65 WeakPolarHBondContact O-CD2 3.46Å; K61-F65 PolarHBondContact O-N 3.02Å; K61-F65 VanDerWaalsContact O-N 3.08Å; E62-F65 PolarHBondContact O-N 2.69Å; F65-Y76 HydrophobicContact CE2-CD1 4.42Å; F65-Y76 HydrophobicContact CE2-CE1 4.24Å; F65-A97 HydrophobicContact CZ-CB 4.13Å; F65-H100 HydrophobicContact CD1-CB 4.12Å; F65-H100 AromaticContact CD1-CD2 3.88Å; F65-H100 AromaticContact CD1-CG 3.74Å; F65-H100 HydrophobicContact CE1-CB 3.79Å; F65-H100 AromaticContact CE1-CG 3.95Å
66K97.7Very high98.5Very high135 Ų13542.4 Ų42.459%0.58719%0.193SC*.Hα-helixtrans-86.8-35.8-177.1-169.7177.9174.9-179.70112.7E62E62-K66 HydrophobicContact CG-CB 4.11Å; E62-K66 HydrophobicContact CG-CD 3.82Å; E62-K66 WeakPolarHBondContact O-CA 3.34Å; E62-K66 WeakPolarHBondContact O-CB 3.43Å; E62-K66 PolarHBondContact O-N 3.21Å; E62-K66 VanDerWaalsContact OE1-CD 3.26Å; E62-K66 WeakPolarHBondContact OE1-CD 3.22Å; E62-K66 IonicContact OE1-NZ 2.95Å; E62-K66 PolarHBondContact OE1-NZ 3.38Å
67R97.4Very high98.5Very high43 Ų4342.4 Ų42.416%0.16219%0.193CC..Hα-helixtrans-110.92.9-175.2-62.4166.5-177.886.2-2.6112.8N34 P36 E62 N63 Y69N34-R67 PolarHBondContact OD1-NE 3.49Å; N34-R67 PolarHBondContact OD1-NH2 3.07Å; P36-R67 HydrophobicContact CB-CB 4.14Å; E62-R67 IonicContact OE1-CZ 3.27Å; E62-R67 IonicContact OE1-NH1 2.89Å; E62-R67 PolarHBondContact OE1-NH1 3.26Å; E62-R67 IonicContact OE1-NH2 3.45Å; E62-R67 PolarHBondContact OE1-NH2 3.47Å; N63-R67 WeakPolarHBondContact O-CB 3.4Å; N63-R67 PolarHBondContact O-N 3.31Å; N63-R67 WeakPolarHBondContact OD1-CD 3.46Å; R67-Y69 PolarHBondContact O-N 2.98Å; R67-Y69 VanDerWaalsContact O-N 3.16Å
68N98.1Very high98.5Very high74 Ų7443.8 Ų43.840%0.39620%0.202SC..  trans53.732.4-178.5-57-38.8000112.5N63 C64 G70 H100 A104 G105N63-N68 PolarHBondContact O-N 2.89Å; C64-N68 WeakPolarHBondContact O-CA 3.23Å; C64-N68 PolarHBondContact O-N 2.83Å; C64-N68 VanDerWaalsContact O-N 3.12Å; N68-G70 PolarHBondContact O-N 3.49Å; N68-H100 PolarHBondContact OD1-CE1 3.49Å; N68-H100 PolarHBondContact OD1-NE2 2.73Å; N68-A104 HydrophobicContact CB-CB 4.18Å; N68-G105 WeakPolarHBondContact O-CA 3.29Å
69Y98.6Very high98.5Very high48 Ų4840 Ų4019%0.18818%0.182CC..  trans-84101.5-175.4-164.1-115000110.8P36 V37 H40 N63 R67 D71 S72 C73P36-Y69 HydrophobicContact CB-CD1 4.48Å; P36-Y69 HydrophobicContact CB-CD2 3.59Å; P36-Y69 HydrophobicContact CB-CE2 4.31Å; P36-Y69 HydrophobicContact CB-CG 3.71Å; P36-Y69 HydrophobicContact CG-CD2 4.02Å; P36-Y69 HydrophobicContact CG-CE2 4.47Å; V37-Y69 HydrophobicContact CG2-CE2 4.03Å; H40-Y69 HydrophobicContact CB-CD1 4Å; H40-Y69 HydrophobicContact CB-CE1 3.64Å; H40-Y69 AromaticContact CG-CE1 3.92Å; H40-Y69 AromaticContact ND1-CE1 3.97Å; N63-Y69 VanDerWaalsContact ND2-CD1 3.34Å; N63-Y69 WeakPolarHBondContact ND2-CD1 3.37Å; N63-Y69 PolarHBondContact O-N 3.45Å; R67-Y69 PolarHBondContact O-N 2.98Å; R67-Y69 VanDerWaalsContact O-N 3.16Å; Y69-D71 VanDerWaalsContact C-N 3.31Å; Y69-D71 HydrophobicContact CD1-CB 4.12Å; Y69-D71 HydrophobicContact CE1-CB 3.61Å; Y69-D71 PolarHBondContact O-N 3.2Å; Y69-D71 PolarHBondContact OH-OD2 3.01Å; Y69-S72 WeakPolarHBondContact O-CB 3.01Å; Y69-S72 PolarHBondContact O-N 3.46Å; Y69-C73 PolarHBondContact O-N 3.26Å
70G98.3Very high98.5Very high5 Ų540.3 Ų40.35%0.05218%0.183CC..Hα-helixtrans-57.9-34.5-17100000115N68 S72 C73 Y74 C110N68-G70 PolarHBondContact O-N 3.49Å; G70-S72 VanDerWaalsContact C-N 3.33Å; G70-S72 PolarHBondContact O-N 2.87Å; G70-C73 WeakPolarHBondContact O-CB 3.3Å; G70-C73 PolarHBondContact O-N 3.06Å; G70-Y74 PolarHBondContact O-N 3.01Å; G70-C110 PolarHBondContact O-SG 3.46Å
71D98.5Very high98.4Very high56 Ų5642.5 Ų42.530%0.29920%0.196SC..Hα-helixtrans-66.5-37.4176-62.2-29.6000112H40 Y69 Y74 R75 Q107H40-D71 PolarHBondContact CE1-O 2.74Å; Y69-D71 VanDerWaalsContact C-N 3.31Å; Y69-D71 HydrophobicContact CD1-CB 4.12Å; Y69-D71 HydrophobicContact CE1-CB 3.61Å; Y69-D71 PolarHBondContact O-N 3.2Å; Y69-D71 PolarHBondContact OH-OD2 3.01Å; D71-Y74 PolarHBondContact O-N 3.48Å; D71-R75 WeakPolarHBondContact O-CB 3.44Å; D71-R75 PolarHBondContact O-N 2.83Å; D71-Q107 PolarHBondContact OD1-NE2 2.69Å
72S98.8Very high98.3Very high0 Ų044.7 Ų44.70%021%0.21CC..Hα-helixtrans-68.5-38.4174.3-78.30000111.6H40 L60 N63 Y69 G70 R75 Y76H40-S72 PolarHBondContact ND1-N 3.45Å; H40-S72 PolarHBondContact ND1-OG 2.85Å; L60-S72 WeakPolarHBondContact CD2-OG 3.16Å; N63-S72 PolarHBondContact ND2-OG 3.49Å; Y69-S72 WeakPolarHBondContact O-CB 3.01Å; Y69-S72 PolarHBondContact O-N 3.46Å; G70-S72 VanDerWaalsContact C-N 3.33Å; G70-S72 PolarHBondContact O-N 2.87Å; S72-R75 PolarHBondContact O-N 2.04Å; S72-Y76 VanDerWaalsContact O-CB 3.22Å; S72-Y76 WeakPolarHBondContact O-CB 3.43Å; S72-Y76 PolarHBondContact O-N 3.38Å
73C98.9Very high98.2Very high0 Ų041.4 Ų41.40%020%0.2CC..Hα-helixtrans-59.8-45.9171.8-660000112.2C64 Y69 G70 R75 Y76 G77 A97 G101C64-C73 WeakPolarHBondContact CA-SG 3.26Å; C64-C73 HydrophobicContact CB-CB 3.89Å; C64-C73 WeakPolarHBondContact CB-SG 3.12Å; C64-C73 WeakPolarHBondContact SG-CA 3.17Å; C64-C73 WeakPolarHBondContact SG-CB 3.37Å; C64-C73 CovalentContact SG-SG 2.04Å; C64-C73 PolarHBondContact SG-SG 3.4Å; Y69-C73 PolarHBondContact O-N 3.26Å; G70-C73 WeakPolarHBondContact O-CB 3.3Å; G70-C73 PolarHBondContact O-N 3.06Å; C73-R75 PolarHBondContact O-N 2.98Å; C73-Y76 PolarHBondContact O-N 3.32Å; C73-G77 PolarHBondContact O-N 3.18Å; C73-A97 WeakPolarHBondContact CB-O 3.42Å; C73-G101 VanDerWaalsContact SG-CA 3.59Å
74Y98.8Very high98Very high84 Ų8445 Ų4533%0.32922%0.219SC..Hα-helixtrans-61.4-46.3178.2-175-108.7000111.5G70 D71 S78 F98 K109 C110 A113G70-Y74 PolarHBondContact O-N 3.01Å; D71-Y74 PolarHBondContact O-N 3.48Å; Y74-S78 VanDerWaalsContact O-CB 3.31Å; Y74-S78 WeakPolarHBondContact O-CB 3.4Å; Y74-S78 PolarHBondContact O-N 3.11Å; Y74-S78 PolarHBondContact O-OG 3.39Å; Y74-F98 HydrophobicContact CD2-CD1 4.27Å; Y74-F98 AromaticContact CD2-CE1 3.88Å; Y74-F98 HydrophobicContact CD2-CE1 3.88Å; Y74-F98 HydrophobicContact CE2-CE1 4.31Å; Y74-F98 WeakPolarHBondContact O-CE1 3.47Å; Y74-K109 HydrophobicContact CD2-CB 3.77Å; Y74-K109 HydrophobicContact CE1-CD 4.44Å; Y74-K109 HydrophobicContact CE2-CB 3.68Å; Y74-K109 HydrophobicContact CG-CB 4.33Å; Y74-C110 VanDerWaalsContact CA-SG 3.57Å; Y74-C110 VanDerWaalsContact CB-SG 3.53Å; Y74-C110 PolarHBondContact N-SG 3.48Å; Y74-C110 VanDerWaalsContact N-SG 3.43Å; Y74-A113 HydrophobicContact CE2-CB 4.43Å
75R98.6Very high97.8Very high78 Ų7852.6 Ų52.629%0.29425%0.248SC..Hα-helixtrans-66.7-44.9-179.6-17271.8-176.7-103.6-4.9111.8L44 L60 D71 S72 C73 S78 L79L44-R75 HydrophobicContact CD2-CG 4.19Å; L60-R75 HydrophobicContact CD1-CB 3.99Å; L60-R75 HydrophobicContact CD1-CG 3.44Å; L60-R75 VanDerWaalsContact CD1-CG 3.44Å; L60-R75 HydrophobicContact CD2-CB 4.11Å; L60-R75 HydrophobicContact CD2-CG 4.13Å; L60-R75 HydrophobicContact CG-CG 4.43Å; D71-R75 WeakPolarHBondContact O-CB 3.44Å; D71-R75 PolarHBondContact O-N 2.83Å; S72-R75 PolarHBondContact O-N 2.04Å; C73-R75 PolarHBondContact O-N 2.98Å; R75-S78 PolarHBondContact O-N 3.34Å; R75-L79 WeakPolarHBondContact O-CG 3.25Å; R75-L79 PolarHBondContact O-N 3.48Å
76Y98.8Very high97.7Very high5 Ų552.4 Ų52.42%0.0227%0.266CS..Hα-helixtrans-64.2-47.5177.2-178.3-111.6000111.9A57 L60 K61 F65 S72 C73 S78 L79 K80 E93 A97A57-Y76 HydrophobicContact CB-CE2 4.47Å; A57-Y76 WeakPolarHBondContact O-CD2 3.39Å; L60-Y76 HydrophobicContact CB-CD2 4.47Å; K61-Y76 HydrophobicContact CB-CD1 4.33Å; K61-Y76 HydrophobicContact CB-CD2 3.9Å; K61-Y76 HydrophobicContact CB-CE1 4.13Å; K61-Y76 HydrophobicContact CB-CE2 3.67Å; K61-Y76 HydrophobicContact CB-CG 4.23Å; K61-Y76 HydrophobicContact CD-CE1 4.29Å; K61-Y76 HydrophobicContact CD-CE2 4.29Å; K61-Y76 WeakPolarHBondContact CD-OH 3.16Å; K61-Y76 HydrophobicContact CG-CD1 4.41Å; K61-Y76 HydrophobicContact CG-CE1 3.87Å; K61-Y76 HydrophobicContact CG-CE2 4.15Å; F65-Y76 HydrophobicContact CE2-CD1 4.42Å; F65-Y76 HydrophobicContact CE2-CE1 4.24Å; S72-Y76 VanDerWaalsContact O-CB 3.22Å; S72-Y76 WeakPolarHBondContact O-CB 3.43Å; S72-Y76 PolarHBondContact O-N 3.38Å; C73-Y76 PolarHBondContact O-N 3.32Å; Y76-S78 VanDerWaalsContact C-N 3.29Å; Y76-S78 PolarHBondContact O-N 3.36Å; Y76-L79 WeakPolarHBondContact O-CB 3.35Å; Y76-L79 PolarHBondContact O-N 3.37Å; Y76-K80 HydrophobicContact CE1-CG 4.19Å; Y76-K80 HydrophobicContact CE2-CG 4.31Å; Y76-K80 PolarHBondContact O-N 3.4Å; Y76-K80 WeakPolarHBondContact OH-CE 3.46Å; Y76-E93 HydrophobicContact CE1-CG 4.08Å; Y76-E93 PolarHBondContact OH-OE1 3.06Å; Y76-E93 PolarHBondContact OH-OE2 3.43Å; Y76-A97 HydrophobicContact CD1-CB 3.77Å; Y76-A97 HydrophobicContact CE1-CB 4.43Å
77G98.5Very high97.7Very high0 Ų046.9 Ų46.90%024%0.243CC..Hα-helixtrans-59.1-41.9176.200000111.8C73 L79 K80 V81 A94C73-G77 PolarHBondContact O-N 3.18Å; G77-L79 PolarHBondContact O-N 2.93Å; G77-K80 CarbonylContact O-C 3.53Å; G77-K80 WeakPolarHBondContact O-CA 3.47Å; G77-K80 PolarHBondContact O-N 3.23Å; G77-V81 WeakPolarHBondContact O-CG2 3.33Å; G77-V81 PolarHBondContact O-N 3.44Å; G77-A94 WeakPolarHBondContact O-CB 3.2Å
78S98.4Very high97.7Very high29 Ų2951.9 Ų51.920%0.20327%0.272CS..Hα-helixtrans-62.2-41.9176.1-59.70000112.5Y74 R75 Y76 K80 V81 I82 F98Y74-S78 VanDerWaalsContact O-CB 3.31Å; Y74-S78 WeakPolarHBondContact O-CB 3.4Å; Y74-S78 PolarHBondContact O-N 3.11Å; Y74-S78 PolarHBondContact O-OG 3.39Å; R75-S78 PolarHBondContact O-N 3.34Å; Y76-S78 VanDerWaalsContact C-N 3.29Å; Y76-S78 PolarHBondContact O-N 3.36Å; S78-K80 PolarHBondContact O-N 3.43Å; S78-V81 PolarHBondContact O-N 3.46Å; S78-I82 PolarHBondContact O-N 3.34Å; S78-F98 VanDerWaalsContact N-CZ 3.35Å
79L98.2Very high97.6Very high20 Ų2057 Ų5711%0.10529%0.286CS..Hα-helixtrans-59.6-36172.8-75.6169.9000111.6A57 L60 R75 Y76 G77 G83 D84 I87A57-L79 HydrophobicContact CB-CD1 4.14Å; L60-L79 HydrophobicContact CD1-CD1 3.87Å; R75-L79 WeakPolarHBondContact O-CG 3.25Å; R75-L79 PolarHBondContact O-N 3.48Å; Y76-L79 WeakPolarHBondContact O-CB 3.35Å; Y76-L79 PolarHBondContact O-N 3.37Å; G77-L79 PolarHBondContact O-N 2.93Å; L79-G83 WeakPolarHBondContact O-CA 3.22Å; L79-G83 PolarHBondContact O-N 3.01Å; L79-D84 HydrophobicContact CD2-CB 4.09Å; L79-I87 HydrophobicContact CB-CG2 4.44Å
80K98.2Very high97.6Very high29 Ų2957.6 Ų57.613%0.12629%0.292CS..Hα-helixtrans-78.2-23.7177.9-69-66.8-176.5151.60113.9Y76 G77 S78 I87 R89 D90 E93 A94Y76-K80 HydrophobicContact CE1-CG 4.19Å; Y76-K80 HydrophobicContact CE2-CG 4.31Å; Y76-K80 PolarHBondContact O-N 3.4Å; Y76-K80 WeakPolarHBondContact OH-CE 3.46Å; G77-K80 CarbonylContact O-C 3.53Å; G77-K80 WeakPolarHBondContact O-CA 3.47Å; G77-K80 PolarHBondContact O-N 3.23Å; S78-K80 PolarHBondContact O-N 3.43Å; K80-I87 HydrophobicContact CD-CG2 4.23Å; K80-R89 CarbonylContact O-C 3.55Å; K80-R89 WeakPolarHBondContact O-CA 3.3Å; K80-D90 HydrophobicContact CD-CB 4.19Å; K80-D90 CarbonylContact O-C 3.36Å; K80-D90 PolarHBondContact O-N 3.01Å; K80-E93 WeakPolarHBondContact CE-OE2 3.49Å; K80-E93 HydrophobicContact CG-CG 4.46Å; K80-E93 IonicContact NZ-OE2 2.75Å; K80-E93 PolarHBondContact NZ-OE2 3.33Å; K80-A94 HydrophobicContact CB-CB 3.76Å
81V97.2Very high97.4Very high47 Ų4759.5 Ų59.529%0.28530%0.304SS..Hα-helixtrans-72.5-48.5169.5174.80000111.4G77 S78 R89 A94 F98 L117G77-V81 WeakPolarHBondContact O-CG2 3.33Å; G77-V81 PolarHBondContact O-N 3.44Å; S78-V81 PolarHBondContact O-N 3.46Å; V81-R89 PolarHBondContact O-NE 3.06Å; V81-A94 HydrophobicContact CG2-CB 3.58Å; V81-F98 HydrophobicContact CG2-CE2 3.72Å; V81-F98 HydrophobicContact CG2-CZ 4.15Å; V81-L117 HydrophobicContact CG2-CD2 4.42Å
82I96.3Very high97.3Very high127 Ų12759.8 Ų59.865%0.65131%0.307SS*.Hα-helixtrans-91.1-34-167.4-59.5169.9000111.7S78 R89S78-I82 PolarHBondContact O-N 3.34Å; I82-R89 WeakPolarHBondContact O-CD 3.43Å; I82-R89 WeakPolarHBondContact O-CG 3.31Å
83G96.3Very high97.2Very high17 Ų1761 Ų6118%0.17531%0.313CS..  trans79.2167.5-167.200000112.2L79 I87L79-G83 WeakPolarHBondContact O-CA 3.22Å; L79-G83 PolarHBondContact O-N 3.01Å; G83-I87 VanDerWaalsContact CA-O 3.31Å; G83-I87 WeakPolarHBondContact CA-O 3.39Å
84D96.1Very high97.2Very high75 Ų7561 Ų6140%0.40131%0.313SS..BIsolated β-bridgetrans-162.1-178.7172.1-158.5-16.7000109V53 L79 G86 I87V53-D84 HydrophobicContact CG1-CB 3.9Å; L79-D84 HydrophobicContact CD2-CB 4.09Å; D84-G86 PolarHBondContact O-N 3.08Å; D84-I87 HydrophobicContact CB-CB 4.34Å; D84-I87 PolarHBondContact N-O 2.84Å; D84-I87 PolarHBondContact O-N 2.89Å; D84-I87 VanDerWaalsContact O-O 3.07Å
85R94.5Very high97.2Very high160 Ų16058.8 Ų58.860%0.60431%0.305SS*.THydrogen-bonded Turntrans-53112.6174.9-68.4-169.1-63.2-96.3-9.1110.9I87R85-I87 PolarHBondContact O-N 2.91Å
86G95.8Very high97.1Very high69 Ų6962.5 Ų62.571%0.71132%0.319SS*.THydrogen-bonded Turntrans78.20.1-178.600000114.9D84D84-G86 PolarHBondContact O-N 3.08Å
87I97.6Very high97.1Very high19 Ų1962.2 Ų62.210%0.09732%0.318CS..BIsolated β-bridgetrans-113.6108177.9-57.3-61.8000109.2V53 T54 A57 L79 K80 G83 D84 R85V53-I87 HydrophobicContact CG1-CG1 4.04Å; T54-I87 HydrophobicContact CG2-CD1 4.06Å; A57-I87 HydrophobicContact CB-CD1 3.61Å; A57-I87 HydrophobicContact CB-CG1 4.23Å; L79-I87 HydrophobicContact CB-CG2 4.44Å; K80-I87 HydrophobicContact CD-CG2 4.23Å; G83-I87 VanDerWaalsContact CA-O 3.31Å; G83-I87 WeakPolarHBondContact CA-O 3.39Å; D84-I87 HydrophobicContact CB-CB 4.34Å; D84-I87 PolarHBondContact N-O 2.84Å; D84-I87 PolarHBondContact O-N 2.89Å; D84-I87 VanDerWaalsContact O-O 3.07Å; R85-I87 PolarHBondContact O-N 2.91Å
88L97.4Very high97.1Very high147 Ų14762.5 Ų62.577%0.7732%0.319SS*.  trans-71.8147173.7-63.9177.1000111.1D90L88-D90 PolarHBondContact O-N 2.9Å
89R96.9Very high97.1Very high183 Ų18363.9 Ų63.969%0.69132%0.322SS*.  trans-66.3129.6171.1-64.7177.769.6-161.3-0.1109.3K80 V81 I82K80-R89 CarbonylContact O-C 3.55Å; K80-R89 WeakPolarHBondContact O-CA 3.3Å; V81-R89 PolarHBondContact O-NE 3.06Å; I82-R89 WeakPolarHBondContact O-CD 3.43Å; I82-R89 WeakPolarHBondContact O-CG 3.31Å
90D96.9Very high97.1Very high60 Ų6065.3 Ų65.332%0.32133%0.328SS..  trans-146.690.7175.5-172.5-24000108.6K80 L88 V92 E93 A94K80-D90 HydrophobicContact CD-CB 4.19Å; K80-D90 CarbonylContact O-C 3.36Å; K80-D90 PolarHBondContact O-N 3.01Å; L88-D90 PolarHBondContact O-N 2.9Å; D90-V92 PolarHBondContact O-N 3.11Å; D90-V92 PolarHBondContact OD1-N 3.3Å; D90-V92 VanDerWaalsContact OD1-N 3.11Å; D90-E93 HydrophobicContact CB-CB 3.97Å; D90-E93 VanDerWaalsContact CG-CB 3.48Å; D90-E93 PolarHBondContact O-N 3.49Å; D90-E93 PolarHBondContact OD1-N 2.78Å; D90-A94 WeakPolarHBondContact O-CB 3.34Å; D90-A94 PolarHBondContact O-N 3.36Å
91P95.7Very high97.2Very high45 Ų4564 Ų6429%0.29232%0.322SS..Hα-helixtrans-65.5-23.9-178.823.9-32.2000113.5F95 I122P91-F95 WeakPolarHBondContact O-CB 3.1Å; P91-F95 PolarHBondContact O-N 2.91Å; P91-I122 HydrophobicContact CB-CG2 3.53Å; P91-I122 HydrophobicContact CG-CG2 4.05Å
92V95.9Very high97.2Very high61 Ų6161.9 Ų61.937%0.3731%0.31SS..Hα-helixtrans-73.9-44.9177.8177.30000109.6D90 A94 F95 R96D90-V92 PolarHBondContact O-N 3.11Å; D90-V92 PolarHBondContact OD1-N 3.3Å; D90-V92 VanDerWaalsContact OD1-N 3.11Å; V92-A94 VanDerWaalsContact C-N 3.31Å; V92-F95 PolarHBondContact O-N 2.9Å; V92-R96 WeakPolarHBondContact O-CG 3.48Å; V92-R96 PolarHBondContact O-N 3.22Å
93E97.2Very high97.3Very high27 Ų2761.6 Ų61.613%0.12630%0.304CS..Hα-helixtrans-65.2-36.8172.8-169.5171.2-163.300111.7K61 Y76 K80 D90 R96 A97K61-E93 IonicContact NZ-OE1 3.64Å; K61-E93 PolarHBondContact NZ-OE1 3.24Å; Y76-E93 HydrophobicContact CE1-CG 4.08Å; Y76-E93 PolarHBondContact OH-OE1 3.06Å; Y76-E93 PolarHBondContact OH-OE2 3.43Å; K80-E93 WeakPolarHBondContact CE-OE2 3.49Å; K80-E93 HydrophobicContact CG-CG 4.46Å; K80-E93 IonicContact NZ-OE2 2.75Å; K80-E93 PolarHBondContact NZ-OE2 3.33Å; D90-E93 HydrophobicContact CB-CB 3.97Å; D90-E93 VanDerWaalsContact CG-CB 3.48Å; D90-E93 PolarHBondContact O-N 3.49Å; D90-E93 PolarHBondContact OD1-N 2.78Å; E93-R96 PolarHBondContact O-N 2.78Å; E93-A97 PolarHBondContact O-N 3.04Å
94A98.2Very high97.3Very high0 Ų062.9 Ų62.90%031%0.313CS..Hα-helixtrans-59.1-47.9172.600000111.9G77 K80 V81 D90 V92 R96 A97 F98 L117G77-A94 WeakPolarHBondContact O-CB 3.2Å; K80-A94 HydrophobicContact CB-CB 3.76Å; V81-A94 HydrophobicContact CG2-CB 3.58Å; D90-A94 WeakPolarHBondContact O-CB 3.34Å; D90-A94 PolarHBondContact O-N 3.36Å; V92-A94 VanDerWaalsContact C-N 3.31Å; A94-R96 VanDerWaalsContact C-N 3.33Å; A94-R96 PolarHBondContact O-N 3.06Å; A94-A97 PolarHBondContact O-N 3.36Å; A94-F98 HydrophobicContact CB-CD2 4.39Å; A94-F98 HydrophobicContact CB-CE2 4.04Å; A94-F98 WeakPolarHBondContact O-CD2 3.46Å; A94-F98 VanDerWaalsContact O-CG 3.32Å; A94-F98 WeakPolarHBondContact O-CG 3.49Å; A94-F98 PolarHBondContact O-N 2.92Å; A94-L117 HydrophobicContact CB-CD1 4.19Å
95F97.8Very high97.2Very high36 Ų3660.2 Ų60.216%0.15830%0.304CS..Hα-helixtrans-57.4-45.7176.1174-98.1000111.5P91 V92 A97 F98 E99 A114 L117 V118 A123 L135P91-F95 WeakPolarHBondContact O-CB 3.1Å; P91-F95 PolarHBondContact O-N 2.91Å; V92-F95 PolarHBondContact O-N 2.9Å; F95-A97 VanDerWaalsContact C-N 3.33Å; F95-A97 PolarHBondContact O-N 3.37Å; F95-F98 PolarHBondContact O-N 2.92Å; F95-E99 HydrophobicContact CE1-CB 4.27Å; F95-E99 WeakPolarHBondContact CE1-OE2 3.32Å; F95-E99 HydrophobicContact CZ-CB 4.18Å; F95-E99 HydrophobicContact CZ-CG 4.41Å; F95-E99 VanDerWaalsContact O-CB 3.31Å; F95-E99 WeakPolarHBondContact O-CB 3.31Å; F95-E99 PolarHBondContact O-N 3.42Å; F95-A114 HydrophobicContact CD2-CB 4.15Å; F95-A114 HydrophobicContact CE2-CB 4.01Å; F95-L117 HydrophobicContact CB-CD1 3.84Å; F95-L117 HydrophobicContact CD2-CB 4.38Å; F95-V118 HydrophobicContact CD2-CG2 3.89Å; F95-V118 HydrophobicContact CE2-CG2 3.31Å; F95-V118 HydrophobicContact CZ-CG2 4Å; F95-A123 HydrophobicContact CB-CB 3.8Å; F95-A123 HydrophobicContact CD2-CB 4.33Å; F95-A123 HydrophobicContact CG-CB 4Å; F95-L135 HydrophobicContact CE2-CD1 4.18Å
96R98Very high97.3Very high156 Ų15660.2 Ų60.259%0.58931%0.308SS*.Hα-helixtrans-58.7-43.6177.1-69.4174.3-175.11672.3112.2V92 E93 A94 H100V92-R96 WeakPolarHBondContact O-CG 3.48Å; V92-R96 PolarHBondContact O-N 3.22Å; E93-R96 PolarHBondContact O-N 2.78Å; A94-R96 VanDerWaalsContact C-N 3.33Å; A94-R96 PolarHBondContact O-N 3.06Å; R96-H100 VanDerWaalsContact O-CB 3.29Å; R96-H100 WeakPolarHBondContact O-CB 3.32Å; R96-H100 PolarHBondContact O-N 3.18Å
97A98.8Very high97.4Very high0 Ų059.6 Ų59.60%029%0.286CS..Hα-helixtrans-64.4-46177.200000111.7F65 C73 Y76 E93 A94 F95 H100 G101F65-A97 HydrophobicContact CZ-CB 4.13Å; C73-A97 WeakPolarHBondContact CB-O 3.42Å; Y76-A97 HydrophobicContact CD1-CB 3.77Å; Y76-A97 HydrophobicContact CE1-CB 4.43Å; E93-A97 PolarHBondContact O-N 3.04Å; A94-A97 PolarHBondContact O-N 3.36Å; F95-A97 VanDerWaalsContact C-N 3.33Å; F95-A97 PolarHBondContact O-N 3.37Å; A97-H100 PolarHBondContact O-N 3.04Å; A97-G101 PolarHBondContact O-N 2.94Å
98F98.6Very high97.4Very high5 Ų558.7 Ų58.72%0.02228%0.282CS..Hα-helixtrans-66.1-42.7177.7-65.1-44.2000112.5Y74 S78 V81 A94 F95 H100 G101 C102 C110 A113 A114 L117Y74-F98 HydrophobicContact CD2-CD1 4.27Å; Y74-F98 AromaticContact CD2-CE1 3.88Å; Y74-F98 HydrophobicContact CD2-CE1 3.88Å; Y74-F98 HydrophobicContact CE2-CE1 4.31Å; Y74-F98 WeakPolarHBondContact O-CE1 3.47Å; S78-F98 VanDerWaalsContact N-CZ 3.35Å; V81-F98 HydrophobicContact CG2-CE2 3.72Å; V81-F98 HydrophobicContact CG2-CZ 4.15Å; A94-F98 HydrophobicContact CB-CD2 4.39Å; A94-F98 HydrophobicContact CB-CE2 4.04Å; A94-F98 WeakPolarHBondContact O-CD2 3.46Å; A94-F98 VanDerWaalsContact O-CG 3.32Å; A94-F98 WeakPolarHBondContact O-CG 3.49Å; A94-F98 PolarHBondContact O-N 2.92Å; F95-F98 PolarHBondContact O-N 2.92Å; F98-H100 VanDerWaalsContact C-N 3.33Å; F98-H100 PolarHBondContact O-N 2.68Å; F98-G101 PolarHBondContact O-N 2.89Å; F98-C102 VanDerWaalsContact O-CB 3.23Å; F98-C102 WeakPolarHBondContact O-CB 2.97Å; F98-C102 PolarHBondContact O-N 2.03Å; F98-C110 HydrophobicContact CB-CB 4.42Å; F98-C110 HydrophobicContact CD1-CB 4.47Å; F98-C110 WeakPolarHBondContact O-CB 3.42Å; F98-A113 HydrophobicContact CB-CB 4.43Å; F98-A113 HydrophobicContact CD1-CB 3.81Å; F98-A113 HydrophobicContact CD2-CB 3.72Å; F98-A113 HydrophobicContact CE1-CB 3.83Å; F98-A113 HydrophobicContact CE2-CB 3.76Å; F98-A113 HydrophobicContact CG-CB 3.75Å; F98-A113 HydrophobicContact CZ-CB 3.8Å; F98-A114 HydrophobicContact CB-CB 3.78Å; F98-L117 HydrophobicContact CD2-CD1 3.74Å; F98-L117 HydrophobicContact CE2-CD1 3.95Å
99E98Very high97.4Very high58 Ų5857 Ų5727%0.27127%0.268SS..Hα-helixtrans-61.9-44.4177.1-175.8178.3-145.800111F95 C102 K103F95-E99 HydrophobicContact CE1-CB 4.27Å; F95-E99 WeakPolarHBondContact CE1-OE2 3.32Å; F95-E99 HydrophobicContact CZ-CB 4.18Å; F95-E99 HydrophobicContact CZ-CG 4.41Å; F95-E99 VanDerWaalsContact O-CB 3.31Å; F95-E99 WeakPolarHBondContact O-CB 3.31Å; F95-E99 PolarHBondContact O-N 3.42Å; E99-C102 WeakPolarHBondContact O-CB 3.42Å; E99-C102 PolarHBondContact O-N 3.46Å; E99-K103 HydrophobicContact CG-CD 3.99Å; E99-K103 PolarHBondContact O-N 3.07Å; E99-K103 IonicContact OE1-NZ 2.83Å; E99-K103 PolarHBondContact OE1-NZ 2.83Å
100H98.5Very high97.5Very high51 Ų5148.3 Ų48.324%0.23624%0.236CC..Hα-helixtrans-62.3-47.3175.5-167.783.1000111.9C64 F65 N68 R96 A97 F98 C102 K103 A104 G105C64-H100 PolarHBondContact O-CD2 3.25Å; C64-H100 PolarHBondContact O-NE2 2.96Å; F65-H100 HydrophobicContact CD1-CB 4.12Å; F65-H100 AromaticContact CD1-CD2 3.88Å; F65-H100 AromaticContact CD1-CG 3.74Å; F65-H100 HydrophobicContact CE1-CB 3.79Å; F65-H100 AromaticContact CE1-CG 3.95Å; N68-H100 PolarHBondContact OD1-CE1 3.49Å; N68-H100 PolarHBondContact OD1-NE2 2.73Å; R96-H100 VanDerWaalsContact O-CB 3.29Å; R96-H100 WeakPolarHBondContact O-CB 3.32Å; R96-H100 PolarHBondContact O-N 3.18Å; A97-H100 PolarHBondContact O-N 3.04Å; F98-H100 VanDerWaalsContact C-N 3.33Å; F98-H100 PolarHBondContact O-N 2.68Å; H100-C102 VanDerWaalsContact C-N 3.27Å; H100-C102 PolarHBondContact O-N 2.76Å; H100-K103 PolarHBondContact O-N 3.3Å; H100-A104 WeakPolarHBondContact O-CA 3.26Å; H100-A104 WeakPolarHBondContact O-CB 3.22Å; H100-A104 PolarHBondContact O-N 3.47Å; H100-G105 PolarHBondContact O-N 2.96Å
101G98.7Very high97.6Very high0 Ų045.5 Ų45.50%022%0.22CC..Hα-helixtrans-62.9-32.517700000113.5C73 A97 F98 G105 K106 Q107C73-G101 VanDerWaalsContact SG-CA 3.59Å; A97-G101 PolarHBondContact O-N 2.94Å; F98-G101 PolarHBondContact O-N 2.89Å; G101-G105 CarbonylContact O-C 3.16Å; G101-G105 VanDerWaalsContact O-CA 3.22Å; G101-G105 WeakPolarHBondContact O-CA 3.31Å; G101-G105 PolarHBondContact O-N 3.35Å; G101-K106 PolarHBondContact O-N 3.43Å; G101-K106 VanDerWaalsContact O-N 3.11Å; G101-Q107 PolarHBondContact O-N 3.42Å
102C98.5Very high97.7Very high4 Ų444.7 Ų44.73%0.02721%0.213CC..Hα-helixtrans-68.4-53.8174.8175.70000111.4F98 E99 H100 K106 C110 C111F98-C102 VanDerWaalsContact O-CB 3.23Å; F98-C102 WeakPolarHBondContact O-CB 2.97Å; F98-C102 PolarHBondContact O-N 2.03Å; E99-C102 WeakPolarHBondContact O-CB 3.42Å; E99-C102 PolarHBondContact O-N 3.46Å; H100-C102 VanDerWaalsContact C-N 3.27Å; H100-C102 PolarHBondContact O-N 2.76Å; C102-K106 VanDerWaalsContact O-CA 3.3Å; C102-K106 WeakPolarHBondContact O-CA 3.39Å; C102-K106 PolarHBondContact O-N 2.81Å; C102-C110 HydrophobicContact CB-CB 4.19Å; C102-C111 WeakPolarHBondContact CA-SG 3.4Å; C102-C111 HydrophobicContact CB-CB 3.82Å; C102-C111 WeakPolarHBondContact CB-SG 3.36Å; C102-C111 WeakPolarHBondContact SG-CA 3Å; C102-C111 WeakPolarHBondContact SG-CB 3.23Å; C102-C111 CovalentContact SG-SG 2.03Å; C102-C111 PolarHBondContact SG-SG 3.37Å
103K97.5Very high97.8Very high120 Ų12042.4 Ų42.452%0.52220%0.2SC..Hα-helixtrans-80.8-57.9-171.5-66.6175.5176.91730111.9E99 H100E99-K103 HydrophobicContact CG-CD 3.99Å; E99-K103 PolarHBondContact O-N 3.07Å; E99-K103 IonicContact OE1-NZ 2.83Å; E99-K103 PolarHBondContact OE1-NZ 2.83Å; H100-K103 PolarHBondContact O-N 3.3Å
104A97.3Very high97.9Very high44 Ų4441.1 Ų41.136%0.36419%0.194SC..THydrogen-bonded Turntrans-80-43.2-177.100000111.7N68 H100 K106N68-A104 HydrophobicContact CB-CB 4.18Å; H100-A104 WeakPolarHBondContact O-CA 3.26Å; H100-A104 WeakPolarHBondContact O-CB 3.22Å; H100-A104 PolarHBondContact O-N 3.47Å; A104-K106 VanDerWaalsContact C-N 3.33Å
105G94.2Very high97.8Very high20 Ų2041.1 Ų41.121%0.20619%0.194CC..SBendtrans-81.5-7.3-179.500000115.2N68 H100 G101 Q107N68-G105 WeakPolarHBondContact O-CA 3.29Å; H100-G105 PolarHBondContact O-N 2.96Å; G101-G105 CarbonylContact O-C 3.16Å; G101-G105 VanDerWaalsContact O-CA 3.22Å; G101-G105 WeakPolarHBondContact O-CA 3.31Å; G101-G105 PolarHBondContact O-N 3.35Å; G105-Q107 PolarHBondContact O-N 3.17Å; G105-Q107 VanDerWaalsContact O-N 3.08Å
106K96Very high97.8Very high159 Ų15944.3 Ų44.369%0.69121%0.205SC*.  trans49.831.7-178-57.7-178.7-177.9179.10113.6G101 C102 A104G101-K106 PolarHBondContact O-N 3.43Å; G101-K106 VanDerWaalsContact O-N 3.11Å; C102-K106 VanDerWaalsContact O-CA 3.3Å; C102-K106 WeakPolarHBondContact O-CA 3.39Å; C102-K106 PolarHBondContact O-N 2.81Å; A104-K106 VanDerWaalsContact C-N 3.33Å
107Q97Very high97.8Very high56 Ų5637.5 Ų37.526%0.26218%0.18SC..  trans-97.5108.6-176.4-175.551.7-78.700110.3D71 G101 G105 K109 C110 C111D71-Q107 PolarHBondContact OD1-NE2 2.69Å; G101-Q107 PolarHBondContact O-N 3.42Å; G105-Q107 PolarHBondContact O-N 3.17Å; G105-Q107 VanDerWaalsContact O-N 3.08Å; Q107-K109 VanDerWaalsContact C-N 3.26Å; Q107-K109 PolarHBondContact O-N 2.82Å; Q107-C110 HydrophobicContact CB-CB 4.47Å; Q107-C110 VanDerWaalsContact O-CB 3.26Å; Q107-C110 WeakPolarHBondContact O-CB 3.45Å; Q107-C110 PolarHBondContact O-N 2.88Å; Q107-C111 PolarHBondContact O-N 3.32Å
108G97.8Very high97.7Very high0 Ų037.8 Ų37.80%018%0.182CC..Hα-helixtrans-58.2-34.4-172.600000113.9C110 C111 Q112 V144G108-C110 VanDerWaalsContact C-N 3.25Å; G108-C110 PolarHBondContact O-N 2.6Å; G108-C111 VanDerWaalsContact O-CB 3.31Å; G108-C111 WeakPolarHBondContact O-CB 3.4Å; G108-C111 PolarHBondContact O-N 3.02Å; G108-C111 VanDerWaalsContact O-N 3.07Å; G108-Q112 PolarHBondContact O-N 2.89Å; G108-V144 VanDerWaalsContact C-CG2 3.44Å
109K98.5Very high97.5Very high113 Ų11338.3 Ų38.349%0.49119%0.188SC..Hα-helixtrans-65.5-30.9177.6-66.6-175.8-178.7177.60112.3Y74 Q107 A113 V144Y74-K109 HydrophobicContact CD2-CB 3.77Å; Y74-K109 HydrophobicContact CE1-CD 4.44Å; Y74-K109 HydrophobicContact CE2-CB 3.68Å; Y74-K109 HydrophobicContact CG-CB 4.33Å; Q107-K109 VanDerWaalsContact C-N 3.26Å; Q107-K109 PolarHBondContact O-N 2.82Å; K109-A113 WeakPolarHBondContact O-CB 3.42Å; K109-A113 PolarHBondContact O-N 3.43Å; K109-V144 HydrophobicContact CG-CG2 4.16Å
110C98.7Very high97.3Very high0 Ų039.4 Ų39.40%020%0.195CC..Hα-helixtrans-67.8-40.2172.1-680000111.2G70 Y74 F98 C102 Q107 G108 Q112 A113 A114G70-C110 PolarHBondContact O-SG 3.46Å; Y74-C110 VanDerWaalsContact CA-SG 3.57Å; Y74-C110 VanDerWaalsContact CB-SG 3.53Å; Y74-C110 PolarHBondContact N-SG 3.48Å; Y74-C110 VanDerWaalsContact N-SG 3.43Å; F98-C110 HydrophobicContact CB-CB 4.42Å; F98-C110 HydrophobicContact CD1-CB 4.47Å; F98-C110 WeakPolarHBondContact O-CB 3.42Å; C102-C110 HydrophobicContact CB-CB 4.19Å; Q107-C110 HydrophobicContact CB-CB 4.47Å; Q107-C110 VanDerWaalsContact O-CB 3.26Å; Q107-C110 WeakPolarHBondContact O-CB 3.45Å; Q107-C110 PolarHBondContact O-N 2.88Å; G108-C110 VanDerWaalsContact C-N 3.25Å; G108-C110 PolarHBondContact O-N 2.6Å; C110-Q112 VanDerWaalsContact C-N 3.34Å; C110-Q112 PolarHBondContact O-N 2.91Å; C110-A113 PolarHBondContact O-N 2.8Å; C110-A114 WeakPolarHBondContact O-CB 3.46Å; C110-A114 PolarHBondContact O-N 2.89Å
111C98.5Very high97Very high0 Ų037.3 Ų37.30%019%0.188CC..Hα-helixtrans-60.6-45.1176.4-56.60000111.7C102 Q107 G108 A114 G115 L135 L138C102-C111 WeakPolarHBondContact CA-SG 3.4Å; C102-C111 HydrophobicContact CB-CB 3.82Å; C102-C111 WeakPolarHBondContact CB-SG 3.36Å; C102-C111 WeakPolarHBondContact SG-CA 3Å; C102-C111 WeakPolarHBondContact SG-CB 3.23Å; C102-C111 CovalentContact SG-SG 2.03Å; C102-C111 PolarHBondContact SG-SG 3.37Å; Q107-C111 PolarHBondContact O-N 3.32Å; G108-C111 VanDerWaalsContact O-CB 3.31Å; G108-C111 WeakPolarHBondContact O-CB 3.4Å; G108-C111 PolarHBondContact O-N 3.02Å; G108-C111 VanDerWaalsContact O-N 3.07Å; C111-A114 PolarHBondContact O-N 3.04Å; C111-G115 PolarHBondContact O-N 3.3Å; C111-L135 VanDerWaalsContact CB-O 3.31Å; C111-L135 WeakPolarHBondContact CB-O 3.41Å; C111-L138 HydrophobicContact CB-CB 4.24Å
112Q98.5Very high96.4Very high29 Ų2941.5 Ų41.514%0.13621%0.209CC..Hα-helixtrans-56.8-51.1174.4-166.9-93.1-13.300111.8G108 C110 G115 R116 V144 E146 S147 H150G108-Q112 PolarHBondContact O-N 2.89Å; C110-Q112 VanDerWaalsContact C-N 3.34Å; C110-Q112 PolarHBondContact O-N 2.91Å; Q112-G115 PolarHBondContact O-N 3.35Å; Q112-R116 WeakPolarHBondContact O-CG 3.34Å; Q112-R116 PolarHBondContact O-N 3.2Å; Q112-V144 HydrophobicContact CB-CG1 4.22Å; Q112-V144 HydrophobicContact CG-CG1 4.34Å; Q112-E146 HydrophobicContact CG-CB 4.19Å; Q112-S147 WeakPolarHBondContact CB-OG 3.38Å; Q112-S147 WeakPolarHBondContact CG-OG 3.48Å; Q112-H150 PolarHBondContact NE2-CD2 3.21Å; Q112-H150 PolarHBondContact NE2-NE2 3.43Å
113A98.3Very high95.4Very high13 Ų1342.4 Ų42.411%0.10722%0.217CC..Hα-helixtrans-66.3-41.9-177.100000112.3Y74 F98 K109 C110 R116 L117Y74-A113 HydrophobicContact CE2-CB 4.43Å; F98-A113 HydrophobicContact CB-CB 4.43Å; F98-A113 HydrophobicContact CD1-CB 3.81Å; F98-A113 HydrophobicContact CD2-CB 3.72Å; F98-A113 HydrophobicContact CE1-CB 3.83Å; F98-A113 HydrophobicContact CE2-CB 3.76Å; F98-A113 HydrophobicContact CG-CB 3.75Å; F98-A113 HydrophobicContact CZ-CB 3.8Å; K109-A113 WeakPolarHBondContact O-CB 3.42Å; K109-A113 PolarHBondContact O-N 3.43Å; C110-A113 PolarHBondContact O-N 2.8Å; A113-R116 PolarHBondContact O-N 3.3Å; A113-L117 WeakPolarHBondContact O-CG 3.17Å; A113-L117 PolarHBondContact O-N 2.99Å
114A97.9Very high94.4Very high0 Ų039.3 Ų39.30%021%0.211CC..Hα-helixtrans-60.7-48.6174.600000111.2F95 F98 C110 C111 R116 L117 V118 L135F95-A114 HydrophobicContact CD2-CB 4.15Å; F95-A114 HydrophobicContact CE2-CB 4.01Å; F98-A114 HydrophobicContact CB-CB 3.78Å; C110-A114 WeakPolarHBondContact O-CB 3.46Å; C110-A114 PolarHBondContact O-N 2.89Å; C111-A114 PolarHBondContact O-N 3.04Å; A114-R116 VanDerWaalsContact C-N 3.28Å; A114-R116 PolarHBondContact O-N 2.76Å; A114-L117 PolarHBondContact O-N 3.23Å; A114-V118 WeakPolarHBondContact O-CG2 3.5Å; A114-V118 PolarHBondContact O-N 3.06Å; A114-L135 HydrophobicContact CB-CD1 3.97Å; A114-L135 HydrophobicContact CB-CD2 4.28Å
115G97.6Very high93.4Very high0 Ų046.6 Ų46.60%024%0.237CC..Hα-helixtrans-58.6-40.8178.300000112C111 Q112 V118 A119 A132 F136C111-G115 PolarHBondContact O-N 3.3Å; Q112-G115 PolarHBondContact O-N 3.35Å; G115-V118 PolarHBondContact O-N 2.94Å; G115-A119 VanDerWaalsContact O-CB 3.29Å; G115-A119 WeakPolarHBondContact O-CB 3.38Å; G115-A119 PolarHBondContact O-N 3.49Å; G115-A132 WeakPolarHBondContact O-CB 3.41Å; G115-F136 WeakPolarHBondContact O-CZ 3.32Å
116R97.6Very high93.1Very high102 Ų10248.3 Ų48.339%0.38525%0.249SC..Hα-helixtrans-64.7-43.6176.3-77.2-160.964.1-128.4-15.6113.5Q112 A113 A114 V118 A119 D120 F136 H150Q112-R116 WeakPolarHBondContact O-CG 3.34Å; Q112-R116 PolarHBondContact O-N 3.2Å; A113-R116 PolarHBondContact O-N 3.3Å; A114-R116 VanDerWaalsContact C-N 3.28Å; A114-R116 PolarHBondContact O-N 2.76Å; R116-V118 PolarHBondContact O-N 3.38Å; R116-A119 PolarHBondContact O-N 3.13Å; R116-D120 IonicContact CZ-OD2 3.44Å; R116-D120 IonicContact NE-OD2 2.69Å; R116-D120 IonicContact NH2-OD2 3.26Å; R116-D120 PolarHBondContact NH2-OD2 3.22Å; R116-D120 WeakPolarHBondContact O-CB 3.31Å; R116-D120 VanDerWaalsContact O-CG 3.29Å; R116-D120 PolarHBondContact O-N 3.09Å; R116-F136 HydrophobicContact CG-CE1 3.95Å; R116-F136 HydrophobicContact CG-CZ 4.24Å; R116-H150 WeakPolarHBondContact CD-NE2 3.42Å
117L96.9Very high92.8Very high13 Ų1345.3 Ų45.37%0.06825%0.245CC..Hα-helixtrans-61.1-33.9177.8-71.8179.3000112.4V81 A94 F95 F98 A113 A114 G121 I122 A123V81-L117 HydrophobicContact CG2-CD2 4.42Å; A94-L117 HydrophobicContact CB-CD1 4.19Å; F95-L117 HydrophobicContact CB-CD1 3.84Å; F95-L117 HydrophobicContact CD2-CB 4.38Å; F98-L117 HydrophobicContact CD2-CD1 3.74Å; F98-L117 HydrophobicContact CE2-CD1 3.95Å; A113-L117 WeakPolarHBondContact O-CG 3.17Å; A113-L117 PolarHBondContact O-N 2.99Å; A114-L117 PolarHBondContact O-N 3.23Å; L117-G121 PolarHBondContact O-N 2.98Å; L117-I122 HydrophobicContact CD2-CB 4.11Å; L117-I122 HydrophobicContact CD2-CD1 4.27Å; L117-I122 HydrophobicContact CD2-CG2 4.03Å; L117-I122 PolarHBondContact O-N 3.08Å; L117-A123 HydrophobicContact CB-CB 4.16Å; L117-A123 PolarHBondContact O-N 3.39Å
118V96.4Very high92.7Very high7 Ų745.8 Ų45.84%0.04225%0.25CC..Hα-helixtrans-76.5-44.7175.8177.10000111.3F95 A114 G115 R116 D120 G121 N128 V131 A132 L135F95-V118 HydrophobicContact CD2-CG2 3.89Å; F95-V118 HydrophobicContact CE2-CG2 3.31Å; F95-V118 HydrophobicContact CZ-CG2 4Å; A114-V118 WeakPolarHBondContact O-CG2 3.5Å; A114-V118 PolarHBondContact O-N 3.06Å; G115-V118 PolarHBondContact O-N 2.94Å; R116-V118 PolarHBondContact O-N 3.38Å; V118-D120 VanDerWaalsContact C-N 3.3Å; V118-D120 PolarHBondContact O-N 3.35Å; V118-G121 PolarHBondContact O-N 2.87Å; V118-G121 VanDerWaalsContact O-N 3.11Å; V118-N128 HydrophobicContact CG1-CB 3.99Å; V118-N128 WeakPolarHBondContact CG1-O 3.33Å; V118-N128 PolarHBondContact O-N 2.86Å; V118-N128 VanDerWaalsContact O-N 3.08Å; V118-V131 HydrophobicContact CG1-CB 3.82Å; V118-V131 HydrophobicContact CG1-CG1 3.81Å; V118-A132 HydrophobicContact CB-CB 4.24Å; V118-A132 HydrophobicContact CG1-CB 4.17Å; V118-L135 HydrophobicContact CG2-CD1 4.26Å
119A95.8Very high92.6Very high16 Ų1647.8 Ų47.813%0.13226%0.26CS..Hα-helixtrans-62.3-38.4178.900000112G115 R116 G121 P127 L129 A132 F136G115-A119 VanDerWaalsContact O-CB 3.29Å; G115-A119 WeakPolarHBondContact O-CB 3.38Å; G115-A119 PolarHBondContact O-N 3.49Å; R116-A119 PolarHBondContact O-N 3.13Å; A119-G121 VanDerWaalsContact C-N 3.27Å; A119-G121 PolarHBondContact O-N 3.36Å; A119-P127 VanDerWaalsContact O-CB 3.23Å; A119-P127 WeakPolarHBondContact O-CB 3.31Å; A119-L129 HydrophobicContact CB-CD2 3.91Å; A119-A132 HydrophobicContact CB-CB 3.87Å; A119-F136 HydrophobicContact CB-CE2 4.22Å; A119-F136 HydrophobicContact CB-CZ 4.04Å
120D92.8Very high92.3Very high80 Ų8046.1 Ų46.143%0.42826%0.263SS..THydrogen-bonded Turntrans-82.5-5.3178.8-63-17.2000111.9R116 V118 I122R116-D120 IonicContact CZ-OD2 3.44Å; R116-D120 IonicContact NE-OD2 2.69Å; R116-D120 IonicContact NH2-OD2 3.26Å; R116-D120 PolarHBondContact NH2-OD2 3.22Å; R116-D120 WeakPolarHBondContact O-CB 3.31Å; R116-D120 VanDerWaalsContact O-CG 3.29Å; R116-D120 PolarHBondContact O-N 3.09Å; V118-D120 VanDerWaalsContact C-N 3.3Å; V118-D120 PolarHBondContact O-N 3.35Å; D120-I122 HydrophobicContact CB-CD1 3.72Å; D120-I122 HydrophobicContact CB-CG1 3.78Å; D120-I122 PolarHBondContact O-N 3.03Å
121G92Very high92.1Very high8 Ų849.6 Ų49.68%0.08228%0.284CS..THydrogen-bonded Turntrans71.18.9-179.200000115.2L117 V118 A119 A123 S124 H125 A126L117-G121 PolarHBondContact O-N 2.98Å; V118-G121 PolarHBondContact O-N 2.87Å; V118-G121 VanDerWaalsContact O-N 3.11Å; A119-G121 VanDerWaalsContact C-N 3.27Å; A119-G121 PolarHBondContact O-N 3.36Å; G121-A123 VanDerWaalsContact C-N 3.33Å; G121-A123 PolarHBondContact O-N 3.47Å; G121-S124 PolarHBondContact O-N 3.06Å; G121-H125 CarbonylContact O-C 3.51Å; G121-H125 WeakPolarHBondContact O-CA 3.17Å; G121-H125 PolarHBondContact O-N 3.14Å; G121-A126 WeakPolarHBondContact CA-O 3.4Å
122I86.4Confident92Very high88 Ų8849.6 Ų49.645%0.45128%0.284SS..THydrogen-bonded Turntrans-67.4-35-174.3-61.1173000111.1P91 L117 D120P91-I122 HydrophobicContact CB-CG2 3.53Å; P91-I122 HydrophobicContact CG-CG2 4.05Å; L117-I122 HydrophobicContact CD2-CB 4.11Å; L117-I122 HydrophobicContact CD2-CD1 4.27Å; L117-I122 HydrophobicContact CD2-CG2 4.03Å; L117-I122 PolarHBondContact O-N 3.08Å; D120-I122 HydrophobicContact CB-CD1 3.72Å; D120-I122 HydrophobicContact CB-CG1 3.78Å; D120-I122 PolarHBondContact O-N 3.03Å
123A77.4Confident92Very high23 Ų2349 Ų4919%0.1928%0.281CS..THydrogen-bonded Turntrans-92.4-16.8179.600000114.2F95 L117 G121F95-A123 HydrophobicContact CB-CB 3.8Å; F95-A123 HydrophobicContact CD2-CB 4.33Å; F95-A123 HydrophobicContact CG-CB 4Å; L117-A123 HydrophobicContact CB-CB 4.16Å; L117-A123 PolarHBondContact O-N 3.39Å; G121-A123 VanDerWaalsContact C-N 3.33Å; G121-A123 PolarHBondContact O-N 3.47Å
124S76.1Confident91.9Very high55 Ų5551.5 Ų51.539%0.38530%0.297SS..THydrogen-bonded Turntrans-124.29.1-168.649.90000114.6G121 A126G121-S124 PolarHBondContact O-N 3.06Å; S124-A126 PolarHBondContact O-N 3.04Å; S124-A126 PolarHBondContact OG-O 3.13Å
125H77.6Confident92Very high197 Ų19752 Ų5291%0.91230%0.299SS*.SBendtrans63.3-20.2-171.6-56.5-69000116G121G121-H125 CarbonylContact O-C 3.51Å; G121-H125 WeakPolarHBondContact O-CA 3.17Å; G121-H125 PolarHBondContact O-N 3.14Å
126A86.7Confident92Very high56 Ų5652.1 Ų52.146%0.46330%0.3SS..SBendtrans-139.1142.2175.400000111.5G121 S124 N128G121-A126 WeakPolarHBondContact CA-O 3.4Å; S124-A126 PolarHBondContact O-N 3.04Å; S124-A126 PolarHBondContact OG-O 3.13Å; A126-N128 PolarHBondContact O-N 3.36Å
127P91.3Very high92.1Very high95 Ų9551.6 Ų51.662%0.61730%0.301SS*.  trans-51.1132.8170.5-33.140.2000113A119A119-P127 VanDerWaalsContact O-CB 3.23Å; A119-P127 WeakPolarHBondContact O-CB 3.31Å
128N93.7Very high92.1Very high67 Ų6753.8 Ų53.836%0.35831%0.313SS..  trans-137.588.7174.7-168-30.3000112V118 A126 S130 V131 A132V118-N128 HydrophobicContact CG1-CB 3.99Å; V118-N128 WeakPolarHBondContact CG1-O 3.33Å; V118-N128 PolarHBondContact O-N 2.86Å; V118-N128 VanDerWaalsContact O-N 3.08Å; A126-N128 PolarHBondContact O-N 3.36Å; N128-S130 VanDerWaalsContact C-N 3.33Å; N128-S130 PolarHBondContact O-N 3.04Å; N128-S130 PolarHBondContact OD1-N 2.88Å; N128-V131 HydrophobicContact CB-CB 4.28Å; N128-V131 HydrophobicContact CB-CG2 4.44Å; N128-V131 VanDerWaalsContact CG-CG2 3.49Å; N128-V131 WeakPolarHBondContact ND2-CG2 3.42Å; N128-V131 PolarHBondContact O-N 3.02Å; N128-V131 WeakPolarHBondContact OD1-CG2 3.41Å; N128-V131 PolarHBondContact OD1-N 3.41Å; N128-A132 WeakPolarHBondContact O-CB 3.23Å; N128-A132 PolarHBondContact O-N 3.23Å
129L95.6Very high92.2Very high41 Ų4153.5 Ų53.522%0.21531%0.311CS..Hα-helixtrans-64.4-35.7-178.8-64.9-179.3000112.8A119 V131 A132 M133 A154 V157 L158A119-L129 HydrophobicContact CB-CD2 3.91Å; L129-V131 VanDerWaalsContact C-N 3.28Å; L129-V131 PolarHBondContact O-N 3.28Å; L129-A132 PolarHBondContact O-N 3.23Å; L129-A132 VanDerWaalsContact O-N 3.13Å; L129-M133 VanDerWaalsContact O-CG 3.28Å; L129-M133 WeakPolarHBondContact O-CG 3.32Å; L129-M133 PolarHBondContact O-N 3.29Å; L129-A154 HydrophobicContact CB-CB 4.37Å; L129-A154 HydrophobicContact CD2-CB 3.99Å; L129-V157 HydrophobicContact CD1-CB 3.79Å; L129-V157 HydrophobicContact CD1-CG1 3.57Å; L129-L158 HydrophobicContact CB-CD1 4.19Å; L129-L158 HydrophobicContact CB-CD2 4.13Å; L129-L158 HydrophobicContact CB-CG 4.16Å; L129-L158 HydrophobicContact CD1-CD2 4.23Å; L129-L158 HydrophobicContact CD1-CG 4.23Å
130S92.6Very high92.3Very high78 Ų7853.2 Ų53.255%0.54531%0.308SS..Hα-helixtrans-63.9-33178.5-55.50000112.6N128 P134N128-S130 VanDerWaalsContact C-N 3.33Å; N128-S130 PolarHBondContact O-N 3.04Å; N128-S130 PolarHBondContact OD1-N 2.88Å; S130-P134 WeakPolarHBondContact O-CD 3.39Å
131V93.4Very high92.5Very high74 Ų7454.8 Ų54.845%0.44831%0.313SS..Hα-helixtrans-81-31.4172.9176.90000111.6V118 N128 L129V118-V131 HydrophobicContact CG1-CB 3.82Å; V118-V131 HydrophobicContact CG1-CG1 3.81Å; N128-V131 HydrophobicContact CB-CB 4.28Å; N128-V131 HydrophobicContact CB-CG2 4.44Å; N128-V131 VanDerWaalsContact CG-CG2 3.49Å; N128-V131 WeakPolarHBondContact ND2-CG2 3.42Å; N128-V131 PolarHBondContact O-N 3.02Å; N128-V131 WeakPolarHBondContact OD1-CG2 3.41Å; N128-V131 PolarHBondContact OD1-N 3.41Å; L129-V131 VanDerWaalsContact C-N 3.28Å; L129-V131 PolarHBondContact O-N 3.28Å
132A97.2Very high92.7Very high0 Ų057.8 Ų57.80%033%0.327CS..Hα-helixtrans-71.8-35.6178.400000113.5G115 V118 A119 N128 L129 L135 F136G115-A132 WeakPolarHBondContact O-CB 3.41Å; V118-A132 HydrophobicContact CB-CB 4.24Å; V118-A132 HydrophobicContact CG1-CB 4.17Å; A119-A132 HydrophobicContact CB-CB 3.87Å; N128-A132 WeakPolarHBondContact O-CB 3.23Å; N128-A132 PolarHBondContact O-N 3.23Å; L129-A132 PolarHBondContact O-N 3.23Å; L129-A132 VanDerWaalsContact O-N 3.13Å; A132-L135 WeakPolarHBondContact O-CB 3.33Å; A132-L135 PolarHBondContact O-N 3.26Å; A132-L135 VanDerWaalsContact O-N 3.09Å; A132-F136 HydrophobicContact CB-CD2 4.19Å; A132-F136 HydrophobicContact CB-CE2 3.63Å; A132-F136 HydrophobicContact CB-CZ 4.16Å; A132-F136 WeakPolarHBondContact O-CD2 3.34Å; A132-F136 WeakPolarHBondContact O-CG 3.45Å; A132-F136 PolarHBondContact O-N 2.96Å
133M98.1Very high93.3Very high16 Ų1659.4 Ų59.48%0.07933%0.331CS..Hα-helixtrans-57.2-49-175.9-79.317264.800113.8L129 L135 F136 E137 L151 A154 A155 L158 L183 E186L129-M133 VanDerWaalsContact O-CG 3.28Å; L129-M133 WeakPolarHBondContact O-CG 3.32Å; L129-M133 PolarHBondContact O-N 3.29Å; M133-L135 PolarHBondContact O-N 2.99Å; M133-F136 PolarHBondContact O-N 3.11Å; M133-F136 VanDerWaalsContact O-N 3.08Å; M133-E137 PolarHBondContact O-N 3.34Å; M133-L151 HydrophobicContact CB-CD1 3.98Å; M133-L151 HydrophobicContact CE-CD1 4.22Å; M133-L151 HydrophobicContact CG-CD1 4.01Å; M133-A154 HydrophobicContact CG-CB 3.67Å; M133-A154 HydrophobicContact SD-CB 4.29Å; M133-A155 HydrophobicContact CE-CB 4Å; M133-L158 HydrophobicContact SD-CD1 3.44Å; M133-L158 WeakPolarHBondContact SD-CD1 3.28Å; M133-L183 HydrophobicContact CE-CD2 4.06Å; M133-E186 WeakPolarHBondContact CE-OE1 3.29Å
134P97.7Very high94.2Very high66 Ų6659 Ų5943%0.42933%0.326SS..Hα-helixtrans-58.6-32.5175.3-26.534.7000113.9S130 L138S130-P134 WeakPolarHBondContact O-CD 3.39Å; P134-L138 WeakPolarHBondContact O-CG 3.44Å; P134-L138 PolarHBondContact O-N 2.7Å; P134-L138 VanDerWaalsContact O-N 3.13Å
135L98.2Very high95.3Very high9 Ų957.7 Ų57.75%0.04732%0.316CS..Hα-helixtrans-70.2-43.6175-65.1166.9000110.7F95 C111 A114 V118 A132 M133 E137 L138 G139F95-L135 HydrophobicContact CE2-CD1 4.18Å; C111-L135 VanDerWaalsContact CB-O 3.31Å; C111-L135 WeakPolarHBondContact CB-O 3.41Å; A114-L135 HydrophobicContact CB-CD1 3.97Å; A114-L135 HydrophobicContact CB-CD2 4.28Å; V118-L135 HydrophobicContact CG2-CD1 4.26Å; A132-L135 WeakPolarHBondContact O-CB 3.33Å; A132-L135 PolarHBondContact O-N 3.26Å; A132-L135 VanDerWaalsContact O-N 3.09Å; M133-L135 PolarHBondContact O-N 2.99Å; L135-E137 VanDerWaalsContact C-N 3.32Å; L135-E137 PolarHBondContact O-N 3.49Å; L135-L138 PolarHBondContact O-N 3.08Å; L135-G139 PolarHBondContact O-N 3.47Å
136F98.6Very high96.3Very high4 Ų452.4 Ų52.42%0.01829%0.292CS..Hα-helixtrans-64.4-36.3174.7-62.3-43000112.7G115 R116 A119 A132 M133 G139 C140 S147 H150 L151G115-F136 WeakPolarHBondContact O-CZ 3.32Å; R116-F136 HydrophobicContact CG-CE1 3.95Å; R116-F136 HydrophobicContact CG-CZ 4.24Å; A119-F136 HydrophobicContact CB-CE2 4.22Å; A119-F136 HydrophobicContact CB-CZ 4.04Å; A132-F136 HydrophobicContact CB-CD2 4.19Å; A132-F136 HydrophobicContact CB-CE2 3.63Å; A132-F136 HydrophobicContact CB-CZ 4.16Å; A132-F136 WeakPolarHBondContact O-CD2 3.34Å; A132-F136 WeakPolarHBondContact O-CG 3.45Å; A132-F136 PolarHBondContact O-N 2.96Å; M133-F136 PolarHBondContact O-N 3.11Å; M133-F136 VanDerWaalsContact O-N 3.08Å; F136-G139 PolarHBondContact O-N 2.87Å; F136-C140 WeakPolarHBondContact O-CB 3.43Å; F136-C140 PolarHBondContact O-N 3.3Å; F136-S147 VanDerWaalsContact O-CB 3.32Å; F136-S147 WeakPolarHBondContact O-CB 3.48Å; F136-H150 HydrophobicContact CD1-CB 3.67Å; F136-H150 HydrophobicContact CD2-CB 3.9Å; F136-H150 HydrophobicContact CE1-CB 3.57Å; F136-H150 HydrophobicContact CE2-CB 3.81Å; F136-H150 HydrophobicContact CG-CB 3.85Å; F136-H150 HydrophobicContact CZ-CB 3.65Å; F136-L151 HydrophobicContact CB-CB 3.74Å; F136-L151 HydrophobicContact CB-CD1 4.43Å
137E98.5Very high96.8Very high90 Ų9049.8 Ų49.842%0.42127%0.27SS..Hα-helixtrans-60.6-49.5174.5-174.7176.8-158.600111.4M133 L135 G139 C140 Q141 L151M133-E137 PolarHBondContact O-N 3.34Å; L135-E137 VanDerWaalsContact C-N 3.32Å; L135-E137 PolarHBondContact O-N 3.49Å; E137-G139 VanDerWaalsContact C-N 3.3Å; E137-G139 PolarHBondContact O-N 3.28Å; E137-C140 PolarHBondContact O-N 3.33Å; E137-C140 VanDerWaalsContact O-N 3.14Å; E137-Q141 HydrophobicContact CG-CG 4.5Å; E137-Q141 WeakPolarHBondContact O-CG 3.43Å; E137-Q141 PolarHBondContact O-N 3.42Å; E137-L151 HydrophobicContact CB-CD2 4.08Å; E137-L151 HydrophobicContact CG-CD2 4.44Å
138L98.1Very high97.2Very high60 Ų6045.2 Ų45.231%0.31424%0.24SC..Hα-helixtrans-58.8-41.1175-72.5172.3000112.2C111 P134 L135 N142C111-L138 HydrophobicContact CB-CB 4.24Å; P134-L138 WeakPolarHBondContact O-CG 3.44Å; P134-L138 PolarHBondContact O-N 2.7Å; P134-L138 VanDerWaalsContact O-N 3.13Å; L135-L138 PolarHBondContact O-N 3.08Å; L138-N142 WeakPolarHBondContact O-CB 3.01Å; L138-N142 PolarHBondContact O-N 3.37Å; L138-N142 PolarHBondContact O-ND2 2.84Å
139G98.4Very high97.4Very high0 Ų044.6 Ų44.60%024%0.235CC..Hα-helixtrans-63.9-40.517600000112.7L135 F136 E137 N142 K143 V144 S147L135-G139 PolarHBondContact O-N 3.47Å; F136-G139 PolarHBondContact O-N 2.87Å; E137-G139 VanDerWaalsContact C-N 3.3Å; E137-G139 PolarHBondContact O-N 3.28Å; G139-N142 CarbonylContact O-C 3.52Å; G139-N142 PolarHBondContact O-N 2.9Å; G139-K143 PolarHBondContact O-N 3.01Å; G139-V144 WeakPolarHBondContact O-CB 3.07Å; G139-V144 PolarHBondContact O-N 3.36Å; G139-S147 VanDerWaalsContact C-CB 3.42Å; G139-S147 WeakPolarHBondContact CA-OG 3.46Å
140C98.4Very high97.6Very high10 Ų1045 Ų457%0.06824%0.235CC..Hα-helixtrans-67.4-43.6178.7-174.30000111.5F136 E137 N142 K143 S147 C148F136-C140 WeakPolarHBondContact O-CB 3.43Å; F136-C140 PolarHBondContact O-N 3.3Å; E137-C140 PolarHBondContact O-N 3.33Å; E137-C140 VanDerWaalsContact O-N 3.14Å; C140-N142 PolarHBondContact O-N 2.87Å; C140-K143 PolarHBondContact O-N 2.99Å; C140-S147 VanDerWaalsContact N-CB 3.32Å; C140-C148 WeakPolarHBondContact CA-SG 3.45Å; C140-C148 HydrophobicContact CB-CB 3.95Å; C140-C148 WeakPolarHBondContact CB-SG 3.39Å; C140-C148 VanDerWaalsContact SG-CA 3.54Å; C140-C148 WeakPolarHBondContact SG-CB 3.47Å; C140-C148 CovalentContact SG-SG 2.03Å; C140-C148 PolarHBondContact SG-SG 3.41Å
141Q97.2Very high97.9Very high114 Ų11441.8 Ų41.853%0.53321%0.212SC..Hα-helixtrans-60.1-35.5173.6-70.3173.81.600111.9E137 K143E137-Q141 HydrophobicContact CG-CG 4.5Å; E137-Q141 WeakPolarHBondContact O-CG 3.43Å; E137-Q141 PolarHBondContact O-N 3.42Å; Q141-K143 PolarHBondContact O-N 2.83Å
142N96.4Very high98.1Very high70 Ų7038.2 Ų38.237%0.37419%0.19SC..THydrogen-bonded Turntrans-83.224.8172.7-71.1-60.3000113.7L138 G139 C140 V144L138-N142 WeakPolarHBondContact O-CB 3.01Å; L138-N142 PolarHBondContact O-N 3.37Å; L138-N142 PolarHBondContact O-ND2 2.84Å; G139-N142 CarbonylContact O-C 3.52Å; G139-N142 PolarHBondContact O-N 2.9Å; C140-N142 PolarHBondContact O-N 2.87Å; N142-V144 VanDerWaalsContact C-N 3.27Å; N142-V144 PolarHBondContact O-N 3.49Å
143K97Very high98.2Very high123 Ų12339.5 Ų39.554%0.53520%0.204SC..THydrogen-bonded Turntrans6130.2170-51.3-65.9169.4-174.20114.3G139 C140 Q141 P145 E193 L197G139-K143 PolarHBondContact O-N 3.01Å; C140-K143 PolarHBondContact O-N 2.99Å; Q141-K143 PolarHBondContact O-N 2.83Å; K143-P145 WeakPolarHBondContact O-CD 3.35Å; K143-E193 IonicContact NZ-OE1 2.8Å; K143-E193 PolarHBondContact NZ-OE1 2.96Å; K143-L197 HydrophobicContact CB-CD2 4.19Å; K143-L197 HydrophobicContact CD-CD1 4.43Å; K143-L197 HydrophobicContact CD-CD2 3.67Å
144V98.3Very high98.2Very high14 Ų1439 Ų399%0.08520%0.202CC..  trans-94.2102.1170.2179.90000109.6G108 K109 Q112 G139 N142 E146 S147 C148G108-V144 VanDerWaalsContact C-CG2 3.44Å; K109-V144 HydrophobicContact CG-CG2 4.16Å; Q112-V144 HydrophobicContact CB-CG1 4.22Å; Q112-V144 HydrophobicContact CG-CG1 4.34Å; G139-V144 WeakPolarHBondContact O-CB 3.07Å; G139-V144 PolarHBondContact O-N 3.36Å; N142-V144 VanDerWaalsContact C-N 3.27Å; N142-V144 PolarHBondContact O-N 3.49Å; V144-E146 VanDerWaalsContact C-N 3.25Å; V144-E146 HydrophobicContact CG1-CB 4.41Å; V144-E146 WeakPolarHBondContact CG1-OE2 3.37Å; V144-E146 PolarHBondContact O-N 3.4Å; V144-S147 WeakPolarHBondContact CG1-OG 3.32Å; V144-S147 VanDerWaalsContact O-CB 3.31Å; V144-S147 WeakPolarHBondContact O-CB 3.41Å; V144-S147 PolarHBondContact O-N 3Å; V144-C148 PolarHBondContact O-N 3.16Å
145P98Very high98.2Very high27 Ų2735.9 Ų35.918%0.17518%0.181CC..Hα-helixtrans-56.4-36.7-174.414.5-25.4000113.5K143 S147 C148 F149 L197 H199K143-P145 WeakPolarHBondContact O-CD 3.35Å; P145-S147 PolarHBondContact O-N 3.41Å; P145-C148 WeakPolarHBondContact O-CB 3.31Å; P145-C148 PolarHBondContact O-N 3.47Å; P145-C148 VanDerWaalsContact O-N 3.16Å; P145-F149 PolarHBondContact O-N 3.44Å; P145-L197 HydrophobicContact CB-CB 3.87Å; P145-L197 HydrophobicContact CG-CB 4.39Å; P145-H199 HydrophobicContact CB-CB 3.75Å
146E98.2Very high98.2Very high87 Ų8736.2 Ų36.241%0.40718%0.183SC..Hα-helixtrans-64.3-30.5178.4-61.182.7174.300111.8Q112 V144 F149 H150Q112-E146 HydrophobicContact CG-CB 4.19Å; V144-E146 VanDerWaalsContact C-N 3.25Å; V144-E146 HydrophobicContact CG1-CB 4.41Å; V144-E146 WeakPolarHBondContact CG1-OE2 3.37Å; V144-E146 PolarHBondContact O-N 3.4Å; E146-F149 WeakPolarHBondContact O-CB 3.03Å; E146-F149 PolarHBondContact O-N 3.02Å; E146-H150 PolarHBondContact O-CD2 2.03Å; E146-H150 PolarHBondContact O-N 3.3Å
147S98.6Very high98.1Very high0 Ų039.2 Ų39.20%020%0.202CC..Hα-helixtrans-68.2-41.7174.8-55.50000111.1Q112 F136 G139 C140 V144 P145 F149 H150 L151Q112-S147 WeakPolarHBondContact CB-OG 3.38Å; Q112-S147 WeakPolarHBondContact CG-OG 3.48Å; F136-S147 VanDerWaalsContact O-CB 3.32Å; F136-S147 WeakPolarHBondContact O-CB 3.48Å; G139-S147 VanDerWaalsContact C-CB 3.42Å; G139-S147 WeakPolarHBondContact CA-OG 3.46Å; C140-S147 VanDerWaalsContact N-CB 3.32Å; V144-S147 WeakPolarHBondContact CG1-OG 3.32Å; V144-S147 VanDerWaalsContact O-CB 3.31Å; V144-S147 WeakPolarHBondContact O-CB 3.41Å; V144-S147 PolarHBondContact O-N 3Å; P145-S147 PolarHBondContact O-N 3.41Å; S147-F149 VanDerWaalsContact C-N 3.29Å; S147-F149 PolarHBondContact O-N 3.34Å; S147-H150 PolarHBondContact O-N 3.34Å; S147-L151 WeakPolarHBondContact O-CB 3.21Å; S147-L151 PolarHBondContact O-N 2.98Å
148C98.8Very high97.9Very high0 Ų036.7 Ų36.70%019%0.191CC..Hα-helixtrans-61.5-40.1174.7-54.50000111.5C140 V144 P145 L151 G152 A190C140-C148 WeakPolarHBondContact CA-SG 3.45Å; C140-C148 HydrophobicContact CB-CB 3.95Å; C140-C148 WeakPolarHBondContact CB-SG 3.39Å; C140-C148 VanDerWaalsContact SG-CA 3.54Å; C140-C148 WeakPolarHBondContact SG-CB 3.47Å; C140-C148 CovalentContact SG-SG 2.03Å; C140-C148 PolarHBondContact SG-SG 3.41Å; V144-C148 PolarHBondContact O-N 3.16Å; P145-C148 WeakPolarHBondContact O-CB 3.31Å; P145-C148 PolarHBondContact O-N 3.47Å; P145-C148 VanDerWaalsContact O-N 3.16Å; C148-L151 PolarHBondContact O-N 3.22Å; C148-G152 PolarHBondContact O-N 3.42Å; C148-G152 VanDerWaalsContact O-N 3.15Å; C148-A190 WeakPolarHBondContact CB-O 3.36Å
149F98.7Very high97.8Very high54 Ų5433.8 Ų33.824%0.23718%0.176CC..Hα-helixtrans-58.6-49.9174.2174.8-104.9000111.8P145 E146 S147 G153 W191 H199 L201 C202P145-F149 PolarHBondContact O-N 3.44Å; E146-F149 WeakPolarHBondContact O-CB 3.03Å; E146-F149 PolarHBondContact O-N 3.02Å; S147-F149 VanDerWaalsContact C-N 3.29Å; S147-F149 PolarHBondContact O-N 3.34Å; F149-G153 PolarHBondContact O-N 3.06Å; F149-W191 PolarHBondContact O-NE1 2.96Å; F149-H199 AromaticContact CD2-CE1 3.9Å; F149-H199 AromaticContact CG-CE1 3.81Å; F149-H199 AromaticContact CG-NE2 3.96Å; F149-L201 HydrophobicContact CD2-CB 3.96Å; F149-L201 HydrophobicContact CE2-CB 3.64Å; F149-L201 HydrophobicContact CE2-CD1 4Å; F149-L201 HydrophobicContact CE2-CG 4.48Å; F149-L201 HydrophobicContact CZ-CB 4.47Å; F149-L201 HydrophobicContact CZ-CD1 3.99Å; F149-C202 VanDerWaalsContact CA-SG 3.55Å; F149-C202 VanDerWaalsContact CB-SG 3.59Å
150H98.6Very high97.5Very high50 Ų5039.3 Ų39.323%0.23120%0.2CC..Hα-helixtrans-68.4-37.1179.6-68.7-54.1000113.4Q112 R116 F136 E146 S147 G153 A154Q112-H150 PolarHBondContact NE2-CD2 3.21Å; Q112-H150 PolarHBondContact NE2-NE2 3.43Å; R116-H150 WeakPolarHBondContact CD-NE2 3.42Å; F136-H150 HydrophobicContact CD1-CB 3.67Å; F136-H150 HydrophobicContact CD2-CB 3.9Å; F136-H150 HydrophobicContact CE1-CB 3.57Å; F136-H150 HydrophobicContact CE2-CB 3.81Å; F136-H150 HydrophobicContact CG-CB 3.85Å; F136-H150 HydrophobicContact CZ-CB 3.65Å; E146-H150 PolarHBondContact O-CD2 2.03Å; E146-H150 PolarHBondContact O-N 3.3Å; S147-H150 PolarHBondContact O-N 3.34Å; H150-G153 PolarHBondContact O-N 3.32Å; H150-A154 WeakPolarHBondContact O-CB 3.33Å; H150-A154 PolarHBondContact O-N 3.32Å
151L98.8Very high97.3Very high9 Ų942.3 Ų42.35%0.04722%0.215CC..Hα-helixtrans-57.6-52174.7176.957.6000110.8M133 F136 E137 S147 C148 G153 A154 A155 A190M133-L151 HydrophobicContact CB-CD1 3.98Å; M133-L151 HydrophobicContact CE-CD1 4.22Å; M133-L151 HydrophobicContact CG-CD1 4.01Å; F136-L151 HydrophobicContact CB-CB 3.74Å; F136-L151 HydrophobicContact CB-CD1 4.43Å; E137-L151 HydrophobicContact CB-CD2 4.08Å; E137-L151 HydrophobicContact CG-CD2 4.44Å; S147-L151 WeakPolarHBondContact O-CB 3.21Å; S147-L151 PolarHBondContact O-N 2.98Å; C148-L151 PolarHBondContact O-N 3.22Å; L151-G153 VanDerWaalsContact C-N 3.33Å; L151-G153 PolarHBondContact O-N 2.86Å; L151-A154 PolarHBondContact O-N 3.03Å; L151-A155 WeakPolarHBondContact O-CB 3.36Å; L151-A155 PolarHBondContact O-N 3.28Å; L151-A190 HydrophobicContact CB-CB 3.98Å; L151-A190 HydrophobicContact CD2-CB 3.71Å; L151-A190 HydrophobicContact CG-CB 3.73Å
152G98.5Very high97Very high0 Ų039.3 Ų39.30%020%0.203CC..Hα-helixtrans-67-34.5179.500000113.2C148 M156 A187C148-G152 PolarHBondContact O-N 3.42Å; C148-G152 VanDerWaalsContact O-N 3.15Å; G152-M156 WeakPolarHBondContact O-CB 3.49Å; G152-M156 WeakPolarHBondContact O-CG 3.49Å; G152-M156 PolarHBondContact O-N 3.43Å; G152-A187 WeakPolarHBondContact O-CB 3.41Å
153G98.4Very high96.6Very high27 Ų2738.1 Ų38.128%0.27820%0.196SC..Hα-helixtrans-61.4-48.5172.700000112.6F149 H150 L151 M156 V157F149-G153 PolarHBondContact O-N 3.06Å; H150-G153 PolarHBondContact O-N 3.32Å; L151-G153 VanDerWaalsContact C-N 3.33Å; L151-G153 PolarHBondContact O-N 2.86Å; G153-M156 PolarHBondContact O-N 3.24Å; G153-V157 WeakPolarHBondContact O-CG2 3.37Å; G153-V157 PolarHBondContact O-N 2.84Å
154A98.2Very high96.2Very high5 Ų538.8 Ų38.84%0.04120%0.199CC..Hα-helixtrans-61.3-46.9178.200000111.7L129 M133 H150 L151 M156 V157 L158L129-A154 HydrophobicContact CB-CB 4.37Å; L129-A154 HydrophobicContact CD2-CB 3.99Å; M133-A154 HydrophobicContact CG-CB 3.67Å; M133-A154 HydrophobicContact SD-CB 4.29Å; H150-A154 WeakPolarHBondContact O-CB 3.33Å; H150-A154 PolarHBondContact O-N 3.32Å; L151-A154 PolarHBondContact O-N 3.03Å; A154-M156 VanDerWaalsContact C-N 3.34Å; A154-M156 PolarHBondContact O-N 3.43Å; A154-V157 PolarHBondContact O-N 3.49Å; A154-L158 WeakPolarHBondContact O-CG 3.46Å; A154-L158 PolarHBondContact O-N 2.85Å
155A98.2Very high95.4Very high0 Ų041.1 Ų41.10%022%0.216CC..Hα-helixtrans-60.6-41.4177.700000112.2M133 L151 L158 A159 L183 A187M133-A155 HydrophobicContact CE-CB 4Å; L151-A155 WeakPolarHBondContact O-CB 3.36Å; L151-A155 PolarHBondContact O-N 3.28Å; A155-L158 PolarHBondContact O-N 3.26Å; A155-A159 WeakPolarHBondContact O-CB 3.43Å; A155-A159 PolarHBondContact O-N 3.39Å; A155-L183 HydrophobicContact CB-CD2 4.32Å; A155-A187 HydrophobicContact CB-CB 3.99Å
156M97.7Very high94.1Very high16 Ų1642.3 Ų42.38%0.07922%0.223CC..Hα-helixtrans-67.9-33.9176.2-74.9-59.3-7100114G152 G153 A154 K160 R184 A187 W191 M209 D214G152-M156 WeakPolarHBondContact O-CB 3.49Å; G152-M156 WeakPolarHBondContact O-CG 3.49Å; G152-M156 PolarHBondContact O-N 3.43Å; G153-M156 PolarHBondContact O-N 3.24Å; A154-M156 VanDerWaalsContact C-N 3.34Å; A154-M156 PolarHBondContact O-N 3.43Å; M156-K160 WeakPolarHBondContact O-CG 3.36Å; M156-K160 PolarHBondContact O-N 3.3Å; M156-R184 HydrophobicContact CE-CG 4.38Å; M156-R184 HydrophobicContact SD-CB 4.36Å; M156-R184 HydrophobicContact SD-CG 3.87Å; M156-A187 HydrophobicContact CG-CB 3.53Å; M156-A187 HydrophobicContact SD-CB 3.84Å; M156-W191 HydrophobicContact CB-CH2 4.29Å; M156-W191 HydrophobicContact CG-CH2 3.47Å; M156-W191 VanDerWaalsContact CG-CH2 3.47Å; M156-W191 HydrophobicContact CG-CZ2 4.26Å; M156-W191 HydrophobicContact CG-CZ3 3.84Å; M156-M209 HydrophobicContact SD-CE 3.92Å; M156-D214 HydrophobicContact CE-CB 4.23Å
157V96.8Very high92.5Very high68 Ų6845 Ų4541%0.41224%0.24SC..Hα-helixtrans-64.8-49.4174.41710000109.8L129 G153 A154 A159 K160 D161L129-V157 HydrophobicContact CD1-CB 3.79Å; L129-V157 HydrophobicContact CD1-CG1 3.57Å; G153-V157 WeakPolarHBondContact O-CG2 3.37Å; G153-V157 PolarHBondContact O-N 2.84Å; A154-V157 PolarHBondContact O-N 3.49Å; V157-A159 VanDerWaalsContact C-N 3.33Å; V157-A159 PolarHBondContact O-N 3.12Å; V157-K160 PolarHBondContact O-N 3.34Å; V157-D161 PolarHBondContact O-N 3.33Å
158L95Very high90.7Very high36 Ų3649.5 Ų49.519%0.18827%0.271CS..Hα-helixtrans-61.1-40.1177.9-66.9179000112.4L129 M133 A154 A155 K160 D161 N162 L183L129-L158 HydrophobicContact CB-CD1 4.19Å; L129-L158 HydrophobicContact CB-CD2 4.13Å; L129-L158 HydrophobicContact CB-CG 4.16Å; L129-L158 HydrophobicContact CD1-CD2 4.23Å; L129-L158 HydrophobicContact CD1-CG 4.23Å; M133-L158 HydrophobicContact SD-CD1 3.44Å; M133-L158 WeakPolarHBondContact SD-CD1 3.28Å; A154-L158 WeakPolarHBondContact O-CG 3.46Å; A154-L158 PolarHBondContact O-N 2.85Å; A155-L158 PolarHBondContact O-N 3.26Å; L158-K160 VanDerWaalsContact C-N 3.32Å; L158-K160 PolarHBondContact O-N 3.48Å; L158-D161 PolarHBondContact O-N 2.89Å; L158-N162 WeakPolarHBondContact O-CB 3.46Å; L158-N162 VanDerWaalsContact O-CG 3.27Å; L158-N162 PolarHBondContact O-N 3.02Å; L158-N162 PolarHBondContact O-OD1 3.22Å; L158-L183 HydrophobicContact CB-CD1 3.76Å; L158-L183 HydrophobicContact CB-CD2 4.45Å
159A94.9Very high88.5Confident0 Ų056.1 Ų56.10%030%0.302CS..Hα-helixtrans-59.8-42.9176.700000112A155 V157 N162 D163 S180 L183 R184A155-A159 WeakPolarHBondContact O-CB 3.43Å; A155-A159 PolarHBondContact O-N 3.39Å; V157-A159 VanDerWaalsContact C-N 3.33Å; V157-A159 PolarHBondContact O-N 3.12Å; A159-N162 PolarHBondContact O-N 3.45Å; A159-D163 PolarHBondContact O-N 2.75Å; A159-S180 PolarHBondContact O-OG 3.37Å; A159-L183 HydrophobicContact CB-CB 3.8Å; A159-L183 HydrophobicContact CB-CD1 4.36Å; A159-R184 HydrophobicContact CB-CG 4.08Å
160K94Very high86.2Confident116 Ų11664.1 Ų64.150%0.50434%0.337SS..Hα-helixtrans-69.6-36.6179.1-72.6174.3-178.61790112.5M156 V157 L158 D163 K164M156-K160 WeakPolarHBondContact O-CG 3.36Å; M156-K160 PolarHBondContact O-N 3.3Å; V157-K160 PolarHBondContact O-N 3.34Å; L158-K160 VanDerWaalsContact C-N 3.32Å; L158-K160 PolarHBondContact O-N 3.48Å; K160-D163 PolarHBondContact O-N 3.04Å; K160-K164 WeakPolarHBondContact O-CG 3.46Å; K160-K164 PolarHBondContact O-N 3.18Å; K160-K164 VanDerWaalsContact O-N 3.12Å
161D92.6Very high83.8Confident73 Ų7365 Ų6539%0.3935%0.349SS..Hα-helixtrans-70.5-37.7177.7-69.1-20.5000111.2V157 L158 D163 K164 S165V157-D161 PolarHBondContact O-N 3.33Å; L158-D161 PolarHBondContact O-N 2.89Å; D161-D163 PolarHBondContact O-N 3.32Å; D161-K164 PolarHBondContact O-N 3.41Å; D161-K164 IonicContact OD1-NZ 3.19Å; D161-K164 PolarHBondContact OD1-NZ 3.15Å; D161-S165 PolarHBondContact O-N 3.3Å; D161-S165 VanDerWaalsContact O-N 3.1Å
162N90.7Very high81.5Confident51 Ų5170.5 Ų70.527%0.27339%0.385SS..Hα-helixtrans-58.4-47170.2-73.80.9000111.5L158 A159 K164 S165 T166 S180L158-N162 WeakPolarHBondContact O-CB 3.46Å; L158-N162 VanDerWaalsContact O-CG 3.27Å; L158-N162 PolarHBondContact O-N 3.02Å; L158-N162 PolarHBondContact O-OD1 3.22Å; A159-N162 PolarHBondContact O-N 3.45Å; N162-K164 VanDerWaalsContact C-N 3.29Å; N162-K164 PolarHBondContact O-N 3.05Å; N162-S165 PolarHBondContact O-N 3.07Å; N162-S165 VanDerWaalsContact O-N 3.16Å; N162-S165 PolarHBondContact O-OG 3.13Å; N162-T166 PolarHBondContact O-N 2.98Å; N162-T166 VanDerWaalsContact O-N 3.12Å; N162-T166 PolarHBondContact O-OG1 2.82Å; N162-S180 WeakPolarHBondContact CB-OG 3.21Å
163D89.8Confident79.1Confident44 Ų4476.2 Ų76.224%0.23542%0.416CS..Hα-helixtrans-62.8-32.4178.6-65.6-23.1000113.1A159 K160 D161 T166 N167 S180 R184A159-D163 PolarHBondContact O-N 2.75Å; K160-D163 PolarHBondContact O-N 3.04Å; D161-D163 PolarHBondContact O-N 3.32Å; D163-T166 PolarHBondContact O-OG1 2.96Å; D163-T166 VanDerWaalsContact O-OG1 3.13Å; D163-N167 PolarHBondContact O-N 2.88Å; D163-N167 PolarHBondContact O-ND2 3.23Å; D163-S180 WeakPolarHBondContact OD1-CB 3.48Å; D163-S180 PolarHBondContact OD1-OG 3.39Å; D163-R184 IonicContact OD1-NH1 2.73Å; D163-R184 IonicContact OD1-NH2 2.64Å; D163-R184 PolarHBondContact OD1-NH2 3.33Å; D163-R184 IonicContact OD2-CZ 3.28Å; D163-R184 IonicContact OD2-NH1 2.75Å; D163-R184 PolarHBondContact OD2-NH1 3.04Å; D163-R184 IonicContact OD2-NH2 2.91Å; D163-R184 PolarHBondContact OD2-NH2 3.14Å
164K87.6Confident76.8Confident137 Ų13779.6 Ų79.660%0.59643%0.433SS*.Hα-helixtrans-69.1-40.4174.4-69169.1-162.81570111.7K160 D161 N162K160-K164 WeakPolarHBondContact O-CG 3.46Å; K160-K164 PolarHBondContact O-N 3.18Å; K160-K164 VanDerWaalsContact O-N 3.12Å; D161-K164 PolarHBondContact O-N 3.41Å; D161-K164 IonicContact OD1-NZ 3.19Å; D161-K164 PolarHBondContact OD1-NZ 3.15Å; N162-K164 VanDerWaalsContact C-N 3.29Å; N162-K164 PolarHBondContact O-N 3.05Å
165S81.6Confident74.7Confident63 Ų6384 Ų8444%0.44146%0.459SS..Hα-helixtrans-66.2-42.5-17970.70000112.1D161 N162 N167 S168D161-S165 PolarHBondContact O-N 3.3Å; D161-S165 VanDerWaalsContact O-N 3.1Å; N162-S165 PolarHBondContact O-N 3.07Å; N162-S165 VanDerWaalsContact O-N 3.16Å; N162-S165 PolarHBondContact O-OG 3.13Å; S165-N167 PolarHBondContact O-N 3.23Å; S165-S168 PolarHBondContact O-N 3.36Å; S165-S168 VanDerWaalsContact O-N 3.14Å; S165-S168 PolarHBondContact O-OG 2.77Å
166T71.4Confident72.8Confident53 Ų5384.6 Ų84.633%0.32547%0.465SS..Hα-helixtrans-68.5-31.3-179.454.70000113.1N162 D163 S168 E169N162-T166 PolarHBondContact O-N 2.98Å; N162-T166 VanDerWaalsContact O-N 3.12Å; N162-T166 PolarHBondContact O-OG1 2.82Å; D163-T166 PolarHBondContact O-OG1 2.96Å; D163-T166 VanDerWaalsContact O-OG1 3.13Å; T166-S168 PolarHBondContact O-N 3.13Å; T166-E169 PolarHBondContact O-N 3.05Å
167N63.9Low71.1Confident143 Ų14387 Ų8777%0.76548%0.484SS*.Hα-helixtrans-70.4-17.8175.4-74.2-37000113.3D163 S165D163-N167 PolarHBondContact O-N 2.88Å; D163-N167 PolarHBondContact O-ND2 3.23Å; S165-N167 PolarHBondContact O-N 3.23Å
168S59.7Low70.2Confident94 Ų9489 Ų8966%0.65749%0.492SS*.Hα-helixtrans-87.8-24.2177.771.70000113.7S165 T166S165-S168 PolarHBondContact O-N 3.36Å; S165-S168 VanDerWaalsContact O-N 3.14Å; S165-S168 PolarHBondContact O-OG 2.77Å; T166-S168 PolarHBondContact O-N 3.13Å
169E52.7Low69.8Low139 Ų13989.9 Ų89.965%0.6550%0.497SS*.  trans-117.1115.6-178.6-69.1-177173.500110T166 S171T166-E169 PolarHBondContact O-N 3.05Å; E169-S171 PolarHBondContact O-N 3.41Å
170K51.2Low69.8Low222 Ų22289.9 Ų89.997%0.96550%0.497SS*.  trans-66.464.1164-70179.3178.6177.20109.5
171S47.4Very low69.8Low69 Ų6987.9 Ų87.948%0.48349%0.492SS..  trans-77.8125.7177.4-171.30000108.7E169 N173E169-S171 PolarHBondContact O-N 3.41Å; S171-N173 PolarHBondContact O-N 2.89Å; S171-N173 VanDerWaalsContact O-N 3.09Å
172P51.8Low69.9Low124 Ų12491.4 Ų91.481%0.80550%0.5SS*.SBendtrans-69.9-3.8-174.926.5-32.8000114
173N47.2Very low70.2Confident121 Ų12189.8 Ų89.865%0.64749%0.491SS*.SBendtrans-125.597.1172.5-97.8-19.7000109.6S171 T175S171-N173 PolarHBondContact O-N 2.89Å; S171-N173 VanDerWaalsContact O-N 3.09Å; N173-T175 PolarHBondContact O-N 3.46Å
174P50.4Low70.5Confident97 Ų9789.4 Ų89.463%0.6349%0.486SS*.  trans-76.569178.631-33.4000110.6G176 S177P174-G176 VanDerWaalsContact C-N 3.27Å; P174-S177 PolarHBondContact O-OG 3.43Å
175T53.9Low71Confident97 Ų9784.9 Ų84.960%0.59547%0.47SS*.  trans-68.2-31.5169.251.20000111.2N173 S177 N178 D179N173-T175 PolarHBondContact O-N 3.46Å; T175-S177 VanDerWaalsContact C-N 3.32Å; T175-S177 PolarHBondContact O-N 3.3Å; T175-N178 WeakPolarHBondContact O-CB 3.39Å; T175-N178 PolarHBondContact O-N 3.35Å; T175-N178 VanDerWaalsContact O-N 3.14Å; T175-D179 PolarHBondContact O-N 3.47Å
176G57.7Low71.8Confident13 Ų1384.5 Ų84.513%0.13446%0.462CS..Hα-helixtrans-62.1-31.1-175.700000114.8P174 N178 D179 S180P174-G176 VanDerWaalsContact C-N 3.27Å; G176-N178 VanDerWaalsContact C-N 3.31Å; G176-N178 PolarHBondContact O-N 2.92Å; G176-D179 PolarHBondContact O-N 3.24Å; G176-S180 PolarHBondContact O-N 3.04Å; G176-S180 PolarHBondContact O-OG 2.78Å; G176-S180 VanDerWaalsContact O-OG 3.11Å
177S63.5Low73.1Confident66 Ų6682 Ų8246%0.46245%0.446SS..Hα-helixtrans-65.6-36.117765.80000112.1P174 T175 N181P174-S177 PolarHBondContact O-OG 3.43Å; T175-S177 VanDerWaalsContact C-N 3.32Å; T175-S177 PolarHBondContact O-N 3.3Å; S177-N181 WeakPolarHBondContact O-CB 3.25Å; S177-N181 PolarHBondContact O-N 3.5Å
178N78.1Confident74.7Confident111 Ų11176.6 Ų76.659%0.59442%0.416SS*.Hα-helixtrans-70.3-40.1177.2-167.535.1000111.1T175 G176 N181 R182T175-N178 WeakPolarHBondContact O-CB 3.39Å; T175-N178 PolarHBondContact O-N 3.35Å; T175-N178 VanDerWaalsContact O-N 3.14Å; G176-N178 VanDerWaalsContact C-N 3.31Å; G176-N178 PolarHBondContact O-N 2.92Å; N178-N181 PolarHBondContact O-N 3.22Å; N178-R182 WeakPolarHBondContact O-CB 3.46Å; N178-R182 PolarHBondContact O-N 2.94Å
179D86.5Confident76.5Confident54 Ų5478.9 Ų78.929%0.28941%0.414SS..Hα-helixtrans-65.2-44.3175.6-75.9-38.5000112T175 G176 N181 R182 L183T175-D179 PolarHBondContact O-N 3.47Å; G176-D179 PolarHBondContact O-N 3.24Å; D179-N181 VanDerWaalsContact C-N 3.35Å; D179-N181 PolarHBondContact O-N 2.86Å; D179-R182 PolarHBondContact O-N 3.46Å; D179-R182 IonicContact OD1-CZ 3.31Å; D179-R182 VanDerWaalsContact OD1-CZ 3.27Å; D179-R182 IonicContact OD1-NH1 2.69Å; D179-R182 PolarHBondContact OD1-NH1 3.31Å; D179-R182 IonicContact OD1-NH2 3.9Å; D179-R182 PolarHBondContact OD1-NH2 3.44Å; D179-L183 WeakPolarHBondContact O-CG 3.39Å; D179-L183 PolarHBondContact O-N 2.94Å
180S93.4Very high78.7Confident0 Ų072.5 Ų72.50%039%0.385CS..Hα-helixtrans-61.3-42.4174.4-59.40000112.1A159 N162 D163 G176 L183 R184A159-S180 PolarHBondContact O-OG 3.37Å; N162-S180 WeakPolarHBondContact CB-OG 3.21Å; D163-S180 WeakPolarHBondContact OD1-CB 3.48Å; D163-S180 PolarHBondContact OD1-OG 3.39Å; G176-S180 PolarHBondContact O-N 3.04Å; G176-S180 PolarHBondContact O-OG 2.78Å; G176-S180 VanDerWaalsContact O-OG 3.11Å; S180-L183 PolarHBondContact O-N 3.21Å; S180-R184 WeakPolarHBondContact O-CG 3.36Å; S180-R184 PolarHBondContact O-N 3.44Å
181N94Very high81Confident74 Ų7462.7 Ų62.740%0.39634%0.342SS..Hα-helixtrans-65.3-40177.2-170.954.6000111.9S177 N178 D179 L183 R184 V185S177-N181 WeakPolarHBondContact O-CB 3.25Å; S177-N181 PolarHBondContact O-N 3.5Å; N178-N181 PolarHBondContact O-N 3.22Å; D179-N181 VanDerWaalsContact C-N 3.35Å; D179-N181 PolarHBondContact O-N 2.86Å; N181-L183 VanDerWaalsContact C-N 3.31Å; N181-L183 PolarHBondContact O-N 2.9Å; N181-R184 PolarHBondContact O-N 3.08Å; N181-V185 WeakPolarHBondContact O-CG2 3.33Å; N181-V185 PolarHBondContact O-N 3.21Å
182R95.1Very high83.4Confident148 Ų14861.4 Ų61.456%0.55833%0.329SS*.Hα-helixtrans-58.3-44174-175.6178.567.7-142.4-12.9111.4N178 D179 V185 E186N178-R182 WeakPolarHBondContact O-CB 3.46Å; N178-R182 PolarHBondContact O-N 2.94Å; D179-R182 PolarHBondContact O-N 3.46Å; D179-R182 IonicContact OD1-CZ 3.31Å; D179-R182 VanDerWaalsContact OD1-CZ 3.27Å; D179-R182 IonicContact OD1-NH1 2.69Å; D179-R182 PolarHBondContact OD1-NH1 3.31Å; D179-R182 IonicContact OD1-NH2 3.9Å; D179-R182 PolarHBondContact OD1-NH2 3.44Å; R182-V185 PolarHBondContact O-N 3.1Å; R182-E186 WeakPolarHBondContact O-CB 3.49Å; R182-E186 PolarHBondContact O-N 2.78Å
183L96.7Very high85.7Confident17 Ų1758 Ų589%0.08930%0.302CS..Hα-helixtrans-65.1-38.2176.8-72.6166.7000112.3M133 A155 L158 A159 D179 S180 N181 E186 A187M133-L183 HydrophobicContact CE-CD2 4.06Å; A155-L183 HydrophobicContact CB-CD2 4.32Å; L158-L183 HydrophobicContact CB-CD1 3.76Å; L158-L183 HydrophobicContact CB-CD2 4.45Å; A159-L183 HydrophobicContact CB-CB 3.8Å; A159-L183 HydrophobicContact CB-CD1 4.36Å; D179-L183 WeakPolarHBondContact O-CG 3.39Å; D179-L183 PolarHBondContact O-N 2.94Å; S180-L183 PolarHBondContact O-N 3.21Å; N181-L183 VanDerWaalsContact C-N 3.31Å; N181-L183 PolarHBondContact O-N 2.9Å; L183-E186 PolarHBondContact O-N 3.27Å; L183-A187 WeakPolarHBondContact O-CB 3.46Å; L183-A187 PolarHBondContact O-N 2.98Å
184R97.5Very high88.1Confident35 Ų3552.2 Ų52.213%0.13227%0.271CS..Hα-helixtrans-62.6-44172.3-72.4-177.4-96.2-84.45.3111.9M156 A159 D163 S180 N181 E186 A187 F188 M209M156-R184 HydrophobicContact CE-CG 4.38Å; M156-R184 HydrophobicContact SD-CB 4.36Å; M156-R184 HydrophobicContact SD-CG 3.87Å; A159-R184 HydrophobicContact CB-CG 4.08Å; D163-R184 IonicContact OD1-NH1 2.73Å; D163-R184 IonicContact OD1-NH2 2.64Å; D163-R184 PolarHBondContact OD1-NH2 3.33Å; D163-R184 IonicContact OD2-CZ 3.28Å; D163-R184 IonicContact OD2-NH1 2.75Å; D163-R184 PolarHBondContact OD2-NH1 3.04Å; D163-R184 IonicContact OD2-NH2 2.91Å; D163-R184 PolarHBondContact OD2-NH2 3.14Å; S180-R184 WeakPolarHBondContact O-CG 3.36Å; S180-R184 PolarHBondContact O-N 3.44Å; N181-R184 PolarHBondContact O-N 3.08Å; R184-E186 VanDerWaalsContact C-N 3.32Å; R184-E186 PolarHBondContact O-N 3.1Å; R184-A187 PolarHBondContact O-N 2.7Å; R184-F188 PolarHBondContact O-N 3.22Å; R184-M209 WeakPolarHBondContact O-CE 3.36Å
185V97.7Very high90.4Very high43 Ų4347.7 Ų47.726%0.26124%0.242SC..Hα-helixtrans-62.5-40.2175.2171.90000111.4N181 R182 F188 K189 G215N181-V185 WeakPolarHBondContact O-CG2 3.33Å; N181-V185 PolarHBondContact O-N 3.21Å; R182-V185 PolarHBondContact O-N 3.1Å; V185-F188 PolarHBondContact O-N 3.38Å; V185-K189 HydrophobicContact CG1-CD 4.33Å; V185-K189 WeakPolarHBondContact O-CG 3.27Å; V185-K189 PolarHBondContact O-N 3.19Å; V185-G215 WeakPolarHBondContact CG2-O 3.45Å
186E97.6Very high92.5Very high55 Ų5549.6 Ų49.626%0.25724%0.242SC..Hα-helixtrans-63.1-45.2175.5-172179160.800111.5M133 R182 L183 R184 F188 K189 A190M133-E186 WeakPolarHBondContact CE-OE1 3.29Å; R182-E186 WeakPolarHBondContact O-CB 3.49Å; R182-E186 PolarHBondContact O-N 2.78Å; L183-E186 PolarHBondContact O-N 3.27Å; R184-E186 VanDerWaalsContact C-N 3.32Å; R184-E186 PolarHBondContact O-N 3.1Å; E186-F188 VanDerWaalsContact C-N 3.34Å; E186-F188 PolarHBondContact O-N 3.49Å; E186-K189 PolarHBondContact O-N 3.33Å; E186-A190 WeakPolarHBondContact O-CB 3.47Å; E186-A190 PolarHBondContact O-N 3.25Å
187A98.5Very high94.4Very high0 Ų051.5 Ų51.50%025%0.249CC..Hα-helixtrans-60.5-43.3175.600000112.7G152 A155 M156 L183 R184 K189 A190 W191 M209G152-A187 WeakPolarHBondContact O-CB 3.41Å; A155-A187 HydrophobicContact CB-CB 3.99Å; M156-A187 HydrophobicContact CG-CB 3.53Å; M156-A187 HydrophobicContact SD-CB 3.84Å; L183-A187 WeakPolarHBondContact O-CB 3.46Å; L183-A187 PolarHBondContact O-N 2.98Å; R184-A187 PolarHBondContact O-N 2.7Å; A187-K189 PolarHBondContact O-N 3.49Å; A187-A190 PolarHBondContact O-N 3.48Å; A187-W191 HydrophobicContact CB-CE3 4.42Å; A187-W191 HydrophobicContact CB-CZ3 4.36Å; A187-W191 PolarHBondContact O-N 3.12Å; A187-M209 HydrophobicContact CB-CE 4.12Å
188F98.5Very high96Very high29 Ų2949.5 Ų49.513%0.12724%0.238CC..Hα-helixtrans-57.5-48.6175-178.2-95.2000111.4R184 V185 E186 A190 W191 M192 I206 M209 Y210 V216R184-F188 PolarHBondContact O-N 3.22Å; V185-F188 PolarHBondContact O-N 3.38Å; E186-F188 VanDerWaalsContact C-N 3.34Å; E186-F188 PolarHBondContact O-N 3.49Å; F188-A190 PolarHBondContact O-N 3.1Å; F188-W191 PolarHBondContact O-N 3.16Å; F188-M192 HydrophobicContact CD1-CG 3.98Å; F188-M192 HydrophobicContact CE1-CG 3.61Å; F188-M192 HydrophobicContact CE1-SD 4.3Å; F188-M192 HydrophobicContact CE2-CG 4.36Å; F188-M192 HydrophobicContact CG-CG 4.49Å; F188-M192 HydrophobicContact CZ-CG 3.81Å; F188-M192 HydrophobicContact CZ-SD 4Å; F188-M192 WeakPolarHBondContact O-CB 3.44Å; F188-M192 WeakPolarHBondContact O-CG 3.45Å; F188-M192 PolarHBondContact O-N 3.38Å; F188-I206 HydrophobicContact CE2-CG2 3.89Å; F188-M209 HydrophobicContact CB-CE 3.75Å; F188-M209 HydrophobicContact CB-SD 3.84Å; F188-M209 HydrophobicContact CD2-CB 4.24Å; F188-M209 HydrophobicContact CD2-SD 3.92Å; F188-M209 HydrophobicContact CG-SD 4.39Å; F188-Y210 HydrophobicContact CE2-CD2 4.46Å; F188-Y210 HydrophobicContact CE2-CE1 4.32Å; F188-Y210 AromaticContact CE2-CE2 3.9Å; F188-Y210 HydrophobicContact CE2-CE2 3.9Å; F188-Y210 AromaticContact CE2-CZ 3.83Å; F188-Y210 HydrophobicContact CZ-CE1 4.37Å; F188-Y210 HydrophobicContact CZ-CE2 4.11Å; F188-Y210 AromaticContact CZ-CZ 3.73Å; F188-Y210 WeakPolarHBondContact CZ-OH 3.46Å; F188-V216 HydrophobicContact CD2-CB 3.96Å; F188-V216 HydrophobicContact CD2-CG1 3.92Å; F188-V216 HydrophobicContact CD2-CG2 4.45Å; F188-V216 HydrophobicContact CE1-CG2 4.5Å; F188-V216 HydrophobicContact CE2-CB 3.89Å; F188-V216 HydrophobicContact CE2-CG1 3.84Å; F188-V216 HydrophobicContact CE2-CG2 3.9Å; F188-V216 HydrophobicContact CG-CB 4.46Å; F188-V216 HydrophobicContact CZ-CB 4.34Å; F188-V216 HydrophobicContact CZ-CG2 3.94Å
189K98.2Very high96.9Very high142 Ų14245.7 Ų45.762%0.61722%0.217SC*.Hα-helixtrans-62.1-44.6178.6-72.6174.3-177.7177.70112.2V185 E186 A187 M192 E193V185-K189 HydrophobicContact CG1-CD 4.33Å; V185-K189 WeakPolarHBondContact O-CG 3.27Å; V185-K189 PolarHBondContact O-N 3.19Å; E186-K189 PolarHBondContact O-N 3.33Å; A187-K189 PolarHBondContact O-N 3.49Å; K189-M192 WeakPolarHBondContact O-CB 3.39Å; K189-M192 PolarHBondContact O-N 3.09Å; K189-E193 PolarHBondContact O-N 2.94Å; K189-E193 VanDerWaalsContact O-N 3.1Å
190A98.7Very high97.4Very high5 Ų544.9 Ų44.94%0.04121%0.211CC..Hα-helixtrans-60.7-50.6178.600000111.1C148 L151 E186 A187 F188 M192 E193 G194C148-A190 WeakPolarHBondContact CB-O 3.36Å; L151-A190 HydrophobicContact CB-CB 3.98Å; L151-A190 HydrophobicContact CD2-CB 3.71Å; L151-A190 HydrophobicContact CG-CB 3.73Å; E186-A190 WeakPolarHBondContact O-CB 3.47Å; E186-A190 PolarHBondContact O-N 3.25Å; A187-A190 PolarHBondContact O-N 3.48Å; F188-A190 PolarHBondContact O-N 3.1Å; A190-M192 VanDerWaalsContact C-N 3.35Å; A190-M192 PolarHBondContact O-N 2.83Å; A190-E193 PolarHBondContact O-N 2.83Å; A190-G194 PolarHBondContact O-N 3.01Å
191W98.8Very high97.7Very high16 Ų1648.4 Ų48.46%0.06123%0.23CC..Hα-helixtrans-67.1-34.8178.6-67.4-28.9000112.6F149 M156 A187 F188 E193 G194 C195 C202 N205 I206 M209F149-W191 PolarHBondContact O-NE1 2.96Å; M156-W191 HydrophobicContact CB-CH2 4.29Å; M156-W191 HydrophobicContact CG-CH2 3.47Å; M156-W191 VanDerWaalsContact CG-CH2 3.47Å; M156-W191 HydrophobicContact CG-CZ2 4.26Å; M156-W191 HydrophobicContact CG-CZ3 3.84Å; A187-W191 HydrophobicContact CB-CE3 4.42Å; A187-W191 HydrophobicContact CB-CZ3 4.36Å; A187-W191 PolarHBondContact O-N 3.12Å; F188-W191 PolarHBondContact O-N 3.16Å; W191-E193 VanDerWaalsContact C-N 3.31Å; W191-E193 PolarHBondContact O-N 3.31Å; W191-G194 PolarHBondContact O-N 3.18Å; W191-C195 VanDerWaalsContact O-CB 3.27Å; W191-C195 WeakPolarHBondContact O-CB 3.31Å; W191-C195 PolarHBondContact O-N 3.38Å; W191-C202 HydrophobicContact CB-CB 4.09Å; W191-C202 HydrophobicContact CG-CB 4.45Å; W191-C202 WeakPolarHBondContact O-CB 3.4Å; W191-N205 HydrophobicContact CD2-CB 3.55Å; W191-N205 VanDerWaalsContact CE2-ND2 3.32Å; W191-N205 HydrophobicContact CE3-CB 3.43Å; W191-N205 VanDerWaalsContact CE3-CB 3.43Å; W191-N205 HydrophobicContact CG-CB 4.14Å; W191-N205 HydrophobicContact CH2-CB 3.89Å; W191-N205 HydrophobicContact CZ2-CB 4.05Å; W191-N205 VanDerWaalsContact CZ2-ND2 3.28Å; W191-N205 WeakPolarHBondContact CZ2-ND2 3.41Å; W191-N205 HydrophobicContact CZ3-CB 3.62Å; W191-I206 HydrophobicContact CB-CD1 4.36Å; W191-I206 HydrophobicContact CB-CG1 3.84Å; W191-I206 WeakPolarHBondContact O-CD1 3.16Å; W191-M209 HydrophobicContact CE3-CG 4.3Å; W191-M209 HydrophobicContact CE3-SD 3.36Å; W191-M209 HydrophobicContact CZ3-CE 4.28Å; W191-M209 HydrophobicContact CZ3-CG 3.99Å; W191-M209 HydrophobicContact CZ3-SD 3.44Å; W191-M209 WeakPolarHBondContact CZ3-SD 3.46Å
192M98.5Very high97.9Very high43 Ų4344.9 Ų44.921%0.21221%0.211CC..Hα-helixtrans-55.1-45.9171.2-80.3-71.5-70.500111.8F188 K189 A190 K196 I206 F226F188-M192 HydrophobicContact CD1-CG 3.98Å; F188-M192 HydrophobicContact CE1-CG 3.61Å; F188-M192 HydrophobicContact CE1-SD 4.3Å; F188-M192 HydrophobicContact CE2-CG 4.36Å; F188-M192 HydrophobicContact CG-CG 4.49Å; F188-M192 HydrophobicContact CZ-CG 3.81Å; F188-M192 HydrophobicContact CZ-SD 4Å; F188-M192 WeakPolarHBondContact O-CB 3.44Å; F188-M192 WeakPolarHBondContact O-CG 3.45Å; F188-M192 PolarHBondContact O-N 3.38Å; K189-M192 WeakPolarHBondContact O-CB 3.39Å; K189-M192 PolarHBondContact O-N 3.09Å; A190-M192 VanDerWaalsContact C-N 3.35Å; A190-M192 PolarHBondContact O-N 2.83Å; M192-K196 VanDerWaalsContact O-CG 3.31Å; M192-K196 WeakPolarHBondContact O-CG 3.44Å; M192-K196 PolarHBondContact O-N 3.27Å; M192-K196 VanDerWaalsContact O-N 3.1Å; M192-I206 HydrophobicContact CB-CD1 4.4Å; M192-I206 HydrophobicContact CG-CD1 4.01Å; M192-I206 HydrophobicContact CG-CG1 4.27Å; M192-I206 HydrophobicContact SD-CD1 3.7Å; M192-I206 HydrophobicContact SD-CG1 4.26Å; M192-I206 HydrophobicContact SD-CG2 4.03Å; M192-F226 HydrophobicContact CE-CZ 4.07Å; M192-F226 HydrophobicContact SD-CE1 3.8Å; M192-F226 HydrophobicContact SD-CE2 4.43Å; M192-F226 HydrophobicContact SD-CZ 3.5Å; M192-F226 WeakPolarHBondContact SD-CZ 3.4Å
193E98.5Very high98.1Very high51 Ų5137.8 Ų37.824%0.23818%0.184CC..Hα-helixtrans-66.8-45.7175.4-173.163.7-173.300111.6K143 K189 A190 W191 C195 K196 L197K143-E193 IonicContact NZ-OE1 2.8Å; K143-E193 PolarHBondContact NZ-OE1 2.96Å; K189-E193 PolarHBondContact O-N 2.94Å; K189-E193 VanDerWaalsContact O-N 3.1Å; A190-E193 PolarHBondContact O-N 2.83Å; W191-E193 VanDerWaalsContact C-N 3.31Å; W191-E193 PolarHBondContact O-N 3.31Å; E193-C195 VanDerWaalsContact C-N 3.3Å; E193-C195 PolarHBondContact O-N 3.19Å; E193-K196 WeakPolarHBondContact O-CB 3.34Å; E193-K196 PolarHBondContact O-N 2.7Å; E193-K196 VanDerWaalsContact O-N 3.08Å; E193-L197 HydrophobicContact CG-CD1 4.27Å; E193-L197 WeakPolarHBondContact O-CG 3.48Å; E193-L197 PolarHBondContact O-N 3.11Å
194G98.6Very high98.1Very high0 Ų040.6 Ų40.60%019%0.194CC..Hα-helixtrans-58.2-39.7176.700000113.4A190 W191 L197 G198 H199A190-G194 PolarHBondContact O-N 3.01Å; W191-G194 PolarHBondContact O-N 3.18Å; G194-L197 CarbonylContact O-C 3.48Å; G194-L197 PolarHBondContact O-N 3.41Å; G194-G198 PolarHBondContact O-N 3.07Å; G194-H199 VanDerWaalsContact O-CB 3.25Å; G194-H199 WeakPolarHBondContact O-CB 3.38Å; G194-H199 PolarHBondContact O-N 3.4Å
195C98.5Very high98.2Very high2 Ų240.9 Ų40.91%0.01420%0.198CC..Hα-helixtrans-67.8-36.5175.9178.60000112.1W191 E193 L197 G198 C202 C203 I206W191-C195 VanDerWaalsContact O-CB 3.27Å; W191-C195 WeakPolarHBondContact O-CB 3.31Å; W191-C195 PolarHBondContact O-N 3.38Å; E193-C195 VanDerWaalsContact C-N 3.3Å; E193-C195 PolarHBondContact O-N 3.19Å; C195-L197 VanDerWaalsContact C-N 3.27Å; C195-L197 PolarHBondContact O-N 2.93Å; C195-G198 PolarHBondContact O-N 3.42Å; C195-C202 HydrophobicContact CB-CB 4.12Å; C195-C203 WeakPolarHBondContact CA-SG 3.48Å; C195-C203 HydrophobicContact CB-CB 4.02Å; C195-C203 WeakPolarHBondContact CB-SG 3.44Å; C195-C203 VanDerWaalsContact SG-CA 3.51Å; C195-C203 WeakPolarHBondContact SG-CB 3.37Å; C195-C203 CovalentContact SG-SG 2.03Å; C195-C203 PolarHBondContact SG-SG 2.97Å; C195-I206 HydrophobicContact CB-CD1 3.53Å
196K98Very high98.2Very high138 Ų13838.9 Ų38.960%0.619%0.186SC*.Hα-helixtrans-64.8-33.4171.6-71.3171.1-173.4176.50112M192 E193 G198M192-K196 VanDerWaalsContact O-CG 3.31Å; M192-K196 WeakPolarHBondContact O-CG 3.44Å; M192-K196 PolarHBondContact O-N 3.27Å; M192-K196 VanDerWaalsContact O-N 3.1Å; E193-K196 WeakPolarHBondContact O-CB 3.34Å; E193-K196 PolarHBondContact O-N 2.7Å; E193-K196 VanDerWaalsContact O-N 3.08Å; K196-G198 PolarHBondContact O-N 3.04Å
197L97.3Very high98.3Very high52 Ų5236.6 Ų36.627%0.27218%0.176SC..THydrogen-bonded Turntrans-79.54.3174.9-62.4173.7000113.8K143 P145 E193 G194 C195K143-L197 HydrophobicContact CB-CD2 4.19Å; K143-L197 HydrophobicContact CD-CD1 4.43Å; K143-L197 HydrophobicContact CD-CD2 3.67Å; P145-L197 HydrophobicContact CB-CB 3.87Å; P145-L197 HydrophobicContact CG-CB 4.39Å; E193-L197 HydrophobicContact CG-CD1 4.27Å; E193-L197 WeakPolarHBondContact O-CG 3.48Å; E193-L197 PolarHBondContact O-N 3.11Å; G194-L197 CarbonylContact O-C 3.48Å; G194-L197 PolarHBondContact O-N 3.41Å; C195-L197 VanDerWaalsContact C-N 3.27Å; C195-L197 PolarHBondContact O-N 2.93Å
198G97Very high98.3Very high24 Ų2442.7 Ų42.725%0.24720%0.203CC..THydrogen-bonded Turntrans87.912.1176.100000115.3G194 C195 K196 E200G194-G198 PolarHBondContact O-N 3.07Å; C195-G198 PolarHBondContact O-N 3.42Å; K196-G198 PolarHBondContact O-N 3.04Å; G198-E200 PolarHBondContact O-N 3.35Å
199H97.7Very high98.3Very high31 Ų3141.5 Ų41.514%0.14420%0.198CC..  trans-77105.5174.1-157.2-62.9000111.1P145 F149 G194 L201 C202 C203P145-H199 HydrophobicContact CB-CB 3.75Å; F149-H199 AromaticContact CD2-CE1 3.9Å; F149-H199 AromaticContact CG-CE1 3.81Å; F149-H199 AromaticContact CG-NE2 3.96Å; G194-H199 VanDerWaalsContact O-CB 3.25Å; G194-H199 WeakPolarHBondContact O-CB 3.38Å; G194-H199 PolarHBondContact O-N 3.4Å; H199-L201 PolarHBondContact ND1-N 3Å; H199-L201 PolarHBondContact O-N 3.33Å; H199-C202 HydrophobicContact CB-CB 4.04Å; H199-C202 WeakPolarHBondContact O-CB 3.37Å; H199-C202 PolarHBondContact O-N 3.14Å; H199-C203 PolarHBondContact O-N 2.91Å
200E97.5Very high98.3Very high37 Ų3735.6 Ų35.617%0.17317%0.172CC..Hα-helixtrans-56.8-47.8-176.1172.2-93177.900113.4G198 C202 C203 R204 A230 L233 A234G198-E200 PolarHBondContact O-N 3.35Å; E200-C202 PolarHBondContact O-N 3Å; E200-C203 WeakPolarHBondContact O-CB 3.28Å; E200-C203 PolarHBondContact O-N 3.4Å; E200-R204 PolarHBondContact O-N 3.3Å; E200-R204 VanDerWaalsContact O-N 3.1Å; E200-R204 IonicContact OE1-CZ 2.68Å; E200-R204 IonicContact OE1-NE 3.99Å; E200-R204 PolarHBondContact OE1-NE 3.2Å; E200-R204 IonicContact OE1-NH2 3.78Å; E200-R204 PolarHBondContact OE1-NH2 3.37Å; E200-A230 HydrophobicContact CG-CB 4.17Å; E200-A230 VanDerWaalsContact CG-O 3.24Å; E200-A230 WeakPolarHBondContact CG-O 3.48Å; E200-L233 HydrophobicContact CB-CB 4.01Å; E200-L233 HydrophobicContact CG-CB 4.48Å; E200-A234 HydrophobicContact CG-CB 4.07Å
201L98.3Very high98.2Very high74 Ų7437.4 Ų37.439%0.38718%0.184SC..Hα-helixtrans-61.7-27.7176.8-60.5178.2000113.8F149 H199 R204 N205F149-L201 HydrophobicContact CD2-CB 3.96Å; F149-L201 HydrophobicContact CE2-CB 3.64Å; F149-L201 HydrophobicContact CE2-CD1 4Å; F149-L201 HydrophobicContact CE2-CG 4.48Å; F149-L201 HydrophobicContact CZ-CB 4.47Å; F149-L201 HydrophobicContact CZ-CD1 3.99Å; H199-L201 PolarHBondContact ND1-N 3Å; H199-L201 PolarHBondContact O-N 3.33Å; L201-R204 PolarHBondContact O-N 3.29Å; L201-N205 WeakPolarHBondContact O-CB 3.41Å; L201-N205 VanDerWaalsContact O-CG 3.24Å; L201-N205 PolarHBondContact O-N 3.43Å; L201-N205 PolarHBondContact O-ND2 3.48Å
202C98.7Very high98.1Very high0 Ų040.8 Ų40.80%020%0.203CC..Hα-helixtrans-67.2-42.5174-700000110.5F149 W191 C195 H199 E200 R204 N205 I206F149-C202 VanDerWaalsContact CA-SG 3.55Å; F149-C202 VanDerWaalsContact CB-SG 3.59Å; W191-C202 HydrophobicContact CB-CB 4.09Å; W191-C202 HydrophobicContact CG-CB 4.45Å; W191-C202 WeakPolarHBondContact O-CB 3.4Å; C195-C202 HydrophobicContact CB-CB 4.12Å; H199-C202 HydrophobicContact CB-CB 4.04Å; H199-C202 WeakPolarHBondContact O-CB 3.37Å; H199-C202 PolarHBondContact O-N 3.14Å; E200-C202 PolarHBondContact O-N 3Å; C202-R204 PolarHBondContact O-N 3.28Å; C202-N205 PolarHBondContact O-N 3.04Å; C202-I206 VanDerWaalsContact O-CG1 3.3Å; C202-I206 WeakPolarHBondContact O-CG1 3.37Å; C202-I206 PolarHBondContact O-N 2.94Å
203C98.6Very high97.9Very high0 Ų040.2 Ų40.20%021%0.208CC..Hα-helixtrans-61.4-42.7175.6-56.40000111.9C195 H199 E200 N205 I206 A207 A230 L233C195-C203 WeakPolarHBondContact CA-SG 3.48Å; C195-C203 HydrophobicContact CB-CB 4.02Å; C195-C203 WeakPolarHBondContact CB-SG 3.44Å; C195-C203 VanDerWaalsContact SG-CA 3.51Å; C195-C203 WeakPolarHBondContact SG-CB 3.37Å; C195-C203 CovalentContact SG-SG 2.03Å; C195-C203 PolarHBondContact SG-SG 2.97Å; H199-C203 PolarHBondContact O-N 2.91Å; E200-C203 WeakPolarHBondContact O-CB 3.28Å; E200-C203 PolarHBondContact O-N 3.4Å; C203-N205 VanDerWaalsContact C-N 3.32Å; C203-N205 PolarHBondContact O-N 3Å; C203-I206 PolarHBondContact O-N 3.39Å; C203-A207 PolarHBondContact O-N 3.36Å; C203-A230 HydrophobicContact CB-CB 3.81Å; C203-L233 WeakPolarHBondContact SG-CD1 3.44Å
204R98.6Very high97.5Very high76 Ų7639.6 Ų39.629%0.28721%0.207SC..Hα-helixtrans-62.1-39.8175-64.8-161.1-173.7-77.1-11.3112.8E200 L201 C202 A207 K208 A230 D231E200-R204 PolarHBondContact O-N 3.3Å; E200-R204 VanDerWaalsContact O-N 3.1Å; E200-R204 IonicContact OE1-CZ 2.68Å; E200-R204 IonicContact OE1-NE 3.99Å; E200-R204 PolarHBondContact OE1-NE 3.2Å; E200-R204 IonicContact OE1-NH2 3.78Å; E200-R204 PolarHBondContact OE1-NH2 3.37Å; L201-R204 PolarHBondContact O-N 3.29Å; C202-R204 PolarHBondContact O-N 3.28Å; R204-A207 WeakPolarHBondContact O-CB 3.24Å; R204-A207 PolarHBondContact O-N 3.35Å; R204-K208 PolarHBondContact O-N 3.45Å; R204-A230 HydrophobicContact CG-CB 3.52Å; R204-D231 IonicContact CZ-OD1 2.7Å; R204-D231 VanDerWaalsContact CZ-OD1 3.28Å; R204-D231 IonicContact NH1-OD1 2.95Å; R204-D231 PolarHBondContact NH1-OD1 3.11Å; R204-D231 IonicContact NH2-OD1 2.9Å; R204-D231 PolarHBondContact NH2-OD1 3.21Å
205N98.6Very high97.2Very high41 Ų4140.4 Ų40.422%0.21922%0.215CC..Hα-helixtrans-66.6-40.1178.1-75-20000111.8W191 L201 C202 C203 A207 K208 M209W191-N205 HydrophobicContact CD2-CB 3.55Å; W191-N205 VanDerWaalsContact CE2-ND2 3.32Å; W191-N205 HydrophobicContact CE3-CB 3.43Å; W191-N205 VanDerWaalsContact CE3-CB 3.43Å; W191-N205 HydrophobicContact CG-CB 4.14Å; W191-N205 HydrophobicContact CH2-CB 3.89Å; W191-N205 HydrophobicContact CZ2-CB 4.05Å; W191-N205 VanDerWaalsContact CZ2-ND2 3.28Å; W191-N205 WeakPolarHBondContact CZ2-ND2 3.41Å; W191-N205 HydrophobicContact CZ3-CB 3.62Å; L201-N205 WeakPolarHBondContact O-CB 3.41Å; L201-N205 VanDerWaalsContact O-CG 3.24Å; L201-N205 PolarHBondContact O-N 3.43Å; L201-N205 PolarHBondContact O-ND2 3.48Å; C202-N205 PolarHBondContact O-N 3.04Å; C203-N205 VanDerWaalsContact C-N 3.32Å; C203-N205 PolarHBondContact O-N 3Å; N205-A207 VanDerWaalsContact C-N 3.34Å; N205-A207 PolarHBondContact O-N 3.04Å; N205-K208 WeakPolarHBondContact O-CB 2.97Å; N205-K208 PolarHBondContact O-N 2.74Å; N205-M209 WeakPolarHBondContact O-CG 3.04Å; N205-M209 PolarHBondContact O-N 3.27Å
206I98.3Very high97Very high0 Ų042 Ų420%023%0.225CC..Hα-helixtrans-60.2-45.1172.5-63.4158.3000110.9F188 W191 M192 C195 C202 C203 K208 M209 Y210 F226F188-I206 HydrophobicContact CE2-CG2 3.89Å; W191-I206 HydrophobicContact CB-CD1 4.36Å; W191-I206 HydrophobicContact CB-CG1 3.84Å; W191-I206 WeakPolarHBondContact O-CD1 3.16Å; M192-I206 HydrophobicContact CB-CD1 4.4Å; M192-I206 HydrophobicContact CG-CD1 4.01Å; M192-I206 HydrophobicContact CG-CG1 4.27Å; M192-I206 HydrophobicContact SD-CD1 3.7Å; M192-I206 HydrophobicContact SD-CG1 4.26Å; M192-I206 HydrophobicContact SD-CG2 4.03Å; C195-I206 HydrophobicContact CB-CD1 3.53Å; C202-I206 VanDerWaalsContact O-CG1 3.3Å; C202-I206 WeakPolarHBondContact O-CG1 3.37Å; C202-I206 PolarHBondContact O-N 2.94Å; C203-I206 PolarHBondContact O-N 3.39Å; I206-K208 VanDerWaalsContact C-N 3.26Å; I206-K208 PolarHBondContact O-N 3.27Å; I206-M209 PolarHBondContact O-N 3.06Å; I206-Y210 HydrophobicContact CG2-CD2 3.65Å; I206-Y210 HydrophobicContact CG2-CE2 3.45Å; I206-Y210 VanDerWaalsContact CG2-CE2 3.45Å; I206-Y210 WeakPolarHBondContact O-CD2 3.4Å; I206-Y210 PolarHBondContact O-N 2.95Å; I206-F226 HydrophobicContact CB-CD1 4Å; I206-F226 HydrophobicContact CB-CE1 4.39Å; I206-F226 HydrophobicContact CB-CG 4.19Å; I206-F226 HydrophobicContact CD1-CD1 3.83Å; I206-F226 HydrophobicContact CD1-CE1 3.68Å; I206-F226 HydrophobicContact CG2-CB 4.39Å; I206-F226 HydrophobicContact CG2-CD1 3.72Å; I206-F226 HydrophobicContact CG2-CD2 3.76Å; I206-F226 HydrophobicContact CG2-CE1 3.85Å; I206-F226 HydrophobicContact CG2-CE2 3.92Å; I206-F226 HydrophobicContact CG2-CG 3.68Å; I206-F226 HydrophobicContact CG2-CZ 3.95Å
207A98.5Very high96.9Very high8 Ų843.5 Ų43.57%0.06623%0.234CC..Hα-helixtrans-55.5-45.7177.100000111.2C203 R204 N205 M209 Y210 S211 A223 F226 L227C203-A207 PolarHBondContact O-N 3.36Å; R204-A207 WeakPolarHBondContact O-CB 3.24Å; R204-A207 PolarHBondContact O-N 3.35Å; N205-A207 VanDerWaalsContact C-N 3.34Å; N205-A207 PolarHBondContact O-N 3.04Å; A207-M209 PolarHBondContact O-N 2.97Å; A207-Y210 PolarHBondContact O-N 2.03Å; A207-S211 PolarHBondContact O-N 3.02Å; A207-S211 PolarHBondContact O-OG 3.48Å; A207-A223 WeakPolarHBondContact CB-O 3.43Å; A207-A223 WeakPolarHBondContact O-CB 3.11Å; A207-F226 HydrophobicContact CB-CB 3.9Å; A207-L227 HydrophobicContact CB-CB 4.28Å
208K98.4Very high96.9Very high128 Ų12847.2 Ų47.256%0.55725%0.251SS*.Hα-helixtrans-63-39.1175.4-174.6172.3-176.9169.90112.9R204 N205 I206 Y210 S211 N212R204-K208 PolarHBondContact O-N 3.45Å; N205-K208 WeakPolarHBondContact O-CB 2.97Å; N205-K208 PolarHBondContact O-N 2.74Å; I206-K208 VanDerWaalsContact C-N 3.26Å; I206-K208 PolarHBondContact O-N 3.27Å; K208-Y210 VanDerWaalsContact C-N 3.34Å; K208-S211 PolarHBondContact O-N 3.35Å; K208-N212 WeakPolarHBondContact O-CB 3.33Å; K208-N212 PolarHBondContact O-N 2.99Å
209M98.3Very high97Very high3 Ų348 Ų482%0.01525%0.25CC..Hα-helixtrans-64.4-39.3176.9-68.8-178.398.300111.9M156 R184 A187 F188 W191 N205 I206 A207 N212 G213 D214 V216M156-M209 HydrophobicContact SD-CE 3.92Å; R184-M209 WeakPolarHBondContact O-CE 3.36Å; A187-M209 HydrophobicContact CB-CE 4.12Å; F188-M209 HydrophobicContact CB-CE 3.75Å; F188-M209 HydrophobicContact CB-SD 3.84Å; F188-M209 HydrophobicContact CD2-CB 4.24Å; F188-M209 HydrophobicContact CD2-SD 3.92Å; F188-M209 HydrophobicContact CG-SD 4.39Å; W191-M209 HydrophobicContact CE3-CG 4.3Å; W191-M209 HydrophobicContact CE3-SD 3.36Å; W191-M209 HydrophobicContact CZ3-CE 4.28Å; W191-M209 HydrophobicContact CZ3-CG 3.99Å; W191-M209 HydrophobicContact CZ3-SD 3.44Å; W191-M209 WeakPolarHBondContact CZ3-SD 3.46Å; N205-M209 WeakPolarHBondContact O-CG 3.04Å; N205-M209 PolarHBondContact O-N 3.27Å; I206-M209 PolarHBondContact O-N 3.06Å; A207-M209 PolarHBondContact O-N 2.97Å; M209-N212 PolarHBondContact O-N 3.42Å; M209-G213 WeakPolarHBondContact O-CA 3.3Å; M209-G213 PolarHBondContact O-N 2.92Å; M209-D214 HydrophobicContact CB-CB 4.32Å; M209-D214 HydrophobicContact CE-CB 4.11Å; M209-D214 WeakPolarHBondContact CE-O 3.48Å; M209-D214 HydrophobicContact CG-CB 4.12Å; M209-D214 PolarHBondContact O-N 3.1Å; M209-V216 HydrophobicContact CB-CG1 4.09Å
210Y98.5Very high97Very high19 Ų1951.6 Ų51.68%0.07527%0.267CS..Hα-helixtrans-66.5-34.3173-79.7-60.5000113.4F188 I206 A207 K208 V216 M218 D219 K222 F226F188-Y210 HydrophobicContact CE2-CD2 4.46Å; F188-Y210 HydrophobicContact CE2-CE1 4.32Å; F188-Y210 AromaticContact CE2-CE2 3.9Å; F188-Y210 HydrophobicContact CE2-CE2 3.9Å; F188-Y210 AromaticContact CE2-CZ 3.83Å; F188-Y210 HydrophobicContact CZ-CE1 4.37Å; F188-Y210 HydrophobicContact CZ-CE2 4.11Å; F188-Y210 AromaticContact CZ-CZ 3.73Å; F188-Y210 WeakPolarHBondContact CZ-OH 3.46Å; I206-Y210 HydrophobicContact CG2-CD2 3.65Å; I206-Y210 HydrophobicContact CG2-CE2 3.45Å; I206-Y210 VanDerWaalsContact CG2-CE2 3.45Å; I206-Y210 WeakPolarHBondContact O-CD2 3.4Å; I206-Y210 PolarHBondContact O-N 2.95Å; A207-Y210 PolarHBondContact O-N 2.03Å; K208-Y210 VanDerWaalsContact C-N 3.34Å; Y210-V216 HydrophobicContact CD1-CG1 3.84Å; Y210-V216 HydrophobicContact CD1-CG2 3.89Å; Y210-V216 HydrophobicContact CE1-CB 4.41Å; Y210-V216 HydrophobicContact CE1-CG1 4.15Å; Y210-V216 HydrophobicContact CE1-CG2 3.39Å; Y210-V216 HydrophobicContact CG-CG1 4.36Å; Y210-M218 CarbonylContact O-C 3.55Å; Y210-M218 WeakPolarHBondContact O-CA 3.5Å; Y210-D219 HydrophobicContact CD1-CB 3.79Å; Y210-D219 HydrophobicContact CE1-CB 4.32Å; Y210-D219 HydrophobicContact CG-CB 4.46Å; Y210-D219 PolarHBondContact O-N 3.47Å; Y210-K222 HydrophobicContact CD1-CB 4.11Å; Y210-K222 HydrophobicContact CD1-CD 4.24Å; Y210-K222 HydrophobicContact CD2-CB 3.78Å; Y210-K222 HydrophobicContact CE1-CB 4.13Å; Y210-K222 HydrophobicContact CE1-CD 3.54Å; Y210-K222 HydrophobicContact CE2-CB 3.81Å; Y210-K222 HydrophobicContact CE2-CD 4.09Å; Y210-K222 HydrophobicContact CG-CB 3.93Å; Y210-K222 VanDerWaalsContact CZ-CD 3.44Å; Y210-K222 WeakPolarHBondContact OH-CD 3.41Å; Y210-F226 HydrophobicContact CD2-CD2 4.01Å; Y210-F226 HydrophobicContact CD2-CE2 4.34Å; Y210-F226 AromaticContact CE2-CD2 3.67Å; Y210-F226 HydrophobicContact CE2-CD2 3.67Å; Y210-F226 AromaticContact CE2-CE2 3.54Å; Y210-F226 HydrophobicContact CE2-CE2 3.54Å; Y210-F226 HydrophobicContact CE2-CZ 4.45Å
211S97.9Very high97Very high43 Ų4356.4 Ų56.430%0.30129%0.293SS..Hα-helixtrans-70.9-33.3174-66.10000112.8A207 K208 A223A207-S211 PolarHBondContact O-N 3.02Å; A207-S211 PolarHBondContact O-OG 3.48Å; K208-S211 PolarHBondContact O-N 3.35Å; S211-A223 WeakPolarHBondContact OG-CB 3.1Å
212N95.6Very high97Very high86 Ų8656.9 Ų56.946%0.4629%0.292SS..Hα-helixtrans-93.5-20.9-173.9-72.6-1.3000114.6K208 M209 D214K208-N212 WeakPolarHBondContact O-CB 3.33Å; K208-N212 PolarHBondContact O-N 2.99Å; M209-N212 PolarHBondContact O-N 3.42Å; N212-D214 HydrophobicContact CB-CB 4.44Å; N212-D214 VanDerWaalsContact CB-OD2 3.28Å; N212-D214 WeakPolarHBondContact CB-OD2 3.42Å; N212-D214 PolarHBondContact ND2-OD2 3.39Å; N212-D214 VanDerWaalsContact ND2-OD2 3.09Å
213G93.9Very high97Very high31 Ų3157.1 Ų57.132%0.3229%0.294SS..THydrogen-bonded Turntrans75.224.3-168.700000113.7M209 G215 V216M209-G213 WeakPolarHBondContact O-CA 3.3Å; M209-G213 PolarHBondContact O-N 2.92Å; G213-G215 PolarHBondContact O-N 3.42Å; G213-G215 VanDerWaalsContact O-N 3.11Å; G213-V216 CarbonylContact C-O 3.18Å; G213-V216 WeakPolarHBondContact CA-O 3.41Å
214D91.8Very high97Very high39 Ų3963.1 Ų63.121%0.20932%0.32CS..SBendtrans-76.796.7-178.4-79.6-49.8000109.9M156 M209 N212 V216M156-D214 HydrophobicContact CE-CB 4.23Å; M209-D214 HydrophobicContact CB-CB 4.32Å; M209-D214 HydrophobicContact CE-CB 4.11Å; M209-D214 WeakPolarHBondContact CE-O 3.48Å; M209-D214 HydrophobicContact CG-CB 4.12Å; M209-D214 PolarHBondContact O-N 3.1Å; N212-D214 HydrophobicContact CB-CB 4.44Å; N212-D214 VanDerWaalsContact CB-OD2 3.28Å; N212-D214 WeakPolarHBondContact CB-OD2 3.42Å; N212-D214 PolarHBondContact ND2-OD2 3.39Å; N212-D214 VanDerWaalsContact ND2-OD2 3.09Å; D214-V216 PolarHBondContact O-N 3.46Å; D214-V216 VanDerWaalsContact O-N 3.15Å
215G90.5Very high97Very high17 Ų1765.3 Ų65.318%0.17533%0.333CS..SBendtrans70.66.1177.500000114.9V185 G213V185-G215 WeakPolarHBondContact CG2-O 3.45Å; G213-G215 PolarHBondContact O-N 3.42Å; G213-G215 VanDerWaalsContact O-N 3.11Å
216V96Very high97Very high35 Ų3564.4 Ų64.421%0.21233%0.328CS..SBendtrans-145.7154.6175.567.20000108.2F188 M209 Y210 G213 D214F188-V216 HydrophobicContact CD2-CB 3.96Å; F188-V216 HydrophobicContact CD2-CG1 3.92Å; F188-V216 HydrophobicContact CD2-CG2 4.45Å; F188-V216 HydrophobicContact CE1-CG2 4.5Å; F188-V216 HydrophobicContact CE2-CB 3.89Å; F188-V216 HydrophobicContact CE2-CG1 3.84Å; F188-V216 HydrophobicContact CE2-CG2 3.9Å; F188-V216 HydrophobicContact CG-CB 4.46Å; F188-V216 HydrophobicContact CZ-CB 4.34Å; F188-V216 HydrophobicContact CZ-CG2 3.94Å; M209-V216 HydrophobicContact CB-CG1 4.09Å; Y210-V216 HydrophobicContact CD1-CG1 3.84Å; Y210-V216 HydrophobicContact CD1-CG2 3.89Å; Y210-V216 HydrophobicContact CE1-CB 4.41Å; Y210-V216 HydrophobicContact CE1-CG1 4.15Å; Y210-V216 HydrophobicContact CE1-CG2 3.39Å; Y210-V216 HydrophobicContact CG-CG1 4.36Å; G213-V216 CarbonylContact C-O 3.18Å; G213-V216 WeakPolarHBondContact CA-O 3.41Å; D214-V216 PolarHBondContact O-N 3.46Å; D214-V216 VanDerWaalsContact O-N 3.15Å
217E95.5Very high97Very high169 Ų16967.9 Ų67.979%0.7935%0.346SS*.  trans-64.8143.7173.5-170.5175.5-177.400110.7D219E217-D219 PolarHBondContact O-N 2.89Å
218M97.3Very high96.9Very high130 Ų13072.7 Ų72.764%0.6437%0.37SS*.  trans-61.7131.3177.3-73.4-175.6-64.500110.9Y210Y210-M218 CarbonylContact O-C 3.55Å; Y210-M218 WeakPolarHBondContact O-CA 3.5Å
219D98.4Very high96.9Very high41 Ų4170.1 Ų70.122%0.21936%0.359CS..  trans-15292.7-179.2-169.6-32.6000110.2Y210 E217 L221 K222 A223Y210-D219 HydrophobicContact CD1-CB 3.79Å; Y210-D219 HydrophobicContact CE1-CB 4.32Å; Y210-D219 HydrophobicContact CG-CB 4.46Å; Y210-D219 PolarHBondContact O-N 3.47Å; E217-D219 PolarHBondContact O-N 2.89Å; D219-L221 PolarHBondContact O-N 2.93Å; D219-L221 PolarHBondContact OD1-N 3.23Å; D219-L221 VanDerWaalsContact OD1-N 3.17Å; D219-K222 HydrophobicContact CB-CB 4.03Å; D219-K222 HydrophobicContact CB-CD 4.21Å; D219-K222 HydrophobicContact CB-CG 4.26Å; D219-K222 PolarHBondContact O-N 3.38Å; D219-K222 PolarHBondContact OD1-N 3.04Å; D219-K222 WeakPolarHBondContact OD2-CD 3.05Å; D219-K222 WeakPolarHBondContact OD2-CE 3.28Å; D219-K222 WeakPolarHBondContact OD2-CG 3.36Å; D219-K222 IonicContact OD2-NZ 3.34Å; D219-K222 PolarHBondContact OD2-NZ 2.7Å; D219-A223 WeakPolarHBondContact O-CB 3.49Å; D219-A223 PolarHBondContact O-N 2.71Å
220E97.5Very high96.9Very high106 Ų10670 Ų7050%0.49536%0.358SS..Hα-helixtrans-61.6-27.7-178.2-73.6-61.5143.500113.6K224E220-K224 WeakPolarHBondContact O-CG 3.44Å; E220-K224 PolarHBondContact O-N 3.14Å
221L98Very high96.9Very high138 Ų13872.1 Ų72.172%0.72337%0.37SS*.Hα-helixtrans-73.1-46.6177.2-67.9177.2000110.2D219 A223 K224 E225D219-L221 PolarHBondContact O-N 2.93Å; D219-L221 PolarHBondContact OD1-N 3.23Å; D219-L221 VanDerWaalsContact OD1-N 3.17Å; L221-A223 VanDerWaalsContact C-N 3.32Å; L221-A223 PolarHBondContact O-N 3.45Å; L221-K224 PolarHBondContact O-N 3.34Å; L221-E225 PolarHBondContact O-N 3.42Å
222K98.2Very high96.8Very high84 Ų8476.5 Ų76.537%0.36539%0.386SS..Hα-helixtrans-63.9-37.8173.7-71-176.2-167.9124.80111.8Y210 D219 K224 E225 F226Y210-K222 HydrophobicContact CD1-CB 4.11Å; Y210-K222 HydrophobicContact CD1-CD 4.24Å; Y210-K222 HydrophobicContact CD2-CB 3.78Å; Y210-K222 HydrophobicContact CE1-CB 4.13Å; Y210-K222 HydrophobicContact CE1-CD 3.54Å; Y210-K222 HydrophobicContact CE2-CB 3.81Å; Y210-K222 HydrophobicContact CE2-CD 4.09Å; Y210-K222 HydrophobicContact CG-CB 3.93Å; Y210-K222 VanDerWaalsContact CZ-CD 3.44Å; Y210-K222 WeakPolarHBondContact OH-CD 3.41Å; D219-K222 HydrophobicContact CB-CB 4.03Å; D219-K222 HydrophobicContact CB-CD 4.21Å; D219-K222 HydrophobicContact CB-CG 4.26Å; D219-K222 PolarHBondContact O-N 3.38Å; D219-K222 PolarHBondContact OD1-N 3.04Å; D219-K222 WeakPolarHBondContact OD2-CD 3.05Å; D219-K222 WeakPolarHBondContact OD2-CE 3.28Å; D219-K222 WeakPolarHBondContact OD2-CG 3.36Å; D219-K222 IonicContact OD2-NZ 3.34Å; D219-K222 PolarHBondContact OD2-NZ 2.7Å; K222-K224 VanDerWaalsContact C-N 3.31Å; K222-K224 PolarHBondContact O-N 3.11Å; K222-E225 PolarHBondContact O-N 2.98Å; K222-F226 WeakPolarHBondContact O-CD2 3.48Å; K222-F226 PolarHBondContact O-N 2.94Å
223A98.5Very high96.8Very high5 Ų574.1 Ų74.14%0.04137%0.373CS..Hα-helixtrans-55-48.7174.700000111.3A207 S211 D219 L221 L227A207-A223 WeakPolarHBondContact CB-O 3.43Å; A207-A223 WeakPolarHBondContact O-CB 3.11Å; S211-A223 WeakPolarHBondContact OG-CB 3.1Å; D219-A223 WeakPolarHBondContact O-CB 3.49Å; D219-A223 PolarHBondContact O-N 2.71Å; L221-A223 VanDerWaalsContact C-N 3.32Å; L221-A223 PolarHBondContact O-N 3.45Å; A223-L227 WeakPolarHBondContact O-CB 3.44Å; A223-L227 PolarHBondContact O-N 3.13Å
224K98.5Very high96.8Very high127 Ų12773.9 Ų73.955%0.55237%0.369SS*.Hα-helixtrans-64.2-41.1175.8-70.8173.5-175.7176.10112.7E220 L221 K222 L227 L228E220-K224 WeakPolarHBondContact O-CG 3.44Å; E220-K224 PolarHBondContact O-N 3.14Å; L221-K224 PolarHBondContact O-N 3.34Å; K222-K224 VanDerWaalsContact C-N 3.31Å; K222-K224 PolarHBondContact O-N 3.11Å; K224-L227 PolarHBondContact O-N 3.42Å; K224-L228 WeakPolarHBondContact O-CG 3.34Å; K224-L228 PolarHBondContact O-N 3.14Å
225E98.3Very high96.9Very high122 Ų12276.2 Ų76.257%0.5738%0.384SS*.Hα-helixtrans-59.3-49.3177.5-172.6-169.5157.500111.9L221 K222 L227 L228 K229L221-E225 PolarHBondContact O-N 3.42Å; K222-E225 PolarHBondContact O-N 2.98Å; E225-L227 VanDerWaalsContact C-N 3.31Å; E225-L227 PolarHBondContact O-N 3.26Å; E225-L228 PolarHBondContact O-N 3.43Å; E225-K229 PolarHBondContact O-N 3.12Å
226F98.5Very high96.8Very high22 Ų2281 Ų8110%0.09640%0.402CS..Hα-helixtrans-67.7-31.5178.9-84.8-83.1000112.7M192 I206 A207 Y210 K222 K229 A230M192-F226 HydrophobicContact CE-CZ 4.07Å; M192-F226 HydrophobicContact SD-CE1 3.8Å; M192-F226 HydrophobicContact SD-CE2 4.43Å; M192-F226 HydrophobicContact SD-CZ 3.5Å; M192-F226 WeakPolarHBondContact SD-CZ 3.4Å; I206-F226 HydrophobicContact CB-CD1 4Å; I206-F226 HydrophobicContact CB-CE1 4.39Å; I206-F226 HydrophobicContact CB-CG 4.19Å; I206-F226 HydrophobicContact CD1-CD1 3.83Å; I206-F226 HydrophobicContact CD1-CE1 3.68Å; I206-F226 HydrophobicContact CG2-CB 4.39Å; I206-F226 HydrophobicContact CG2-CD1 3.72Å; I206-F226 HydrophobicContact CG2-CD2 3.76Å; I206-F226 HydrophobicContact CG2-CE1 3.85Å; I206-F226 HydrophobicContact CG2-CE2 3.92Å; I206-F226 HydrophobicContact CG2-CG 3.68Å; I206-F226 HydrophobicContact CG2-CZ 3.95Å; A207-F226 HydrophobicContact CB-CB 3.9Å; Y210-F226 HydrophobicContact CD2-CD2 4.01Å; Y210-F226 HydrophobicContact CD2-CE2 4.34Å; Y210-F226 AromaticContact CE2-CD2 3.67Å; Y210-F226 HydrophobicContact CE2-CD2 3.67Å; Y210-F226 AromaticContact CE2-CE2 3.54Å; Y210-F226 HydrophobicContact CE2-CE2 3.54Å; Y210-F226 HydrophobicContact CE2-CZ 4.45Å; K222-F226 WeakPolarHBondContact O-CD2 3.48Å; K222-F226 PolarHBondContact O-N 2.94Å; F226-K229 PolarHBondContact O-N 2.94Å; F226-A230 WeakPolarHBondContact O-CB 3.34Å; F226-A230 PolarHBondContact O-N 3.43Å
227L98.2Very high96.1Very high73 Ų7382.2 Ų82.238%0.38241%0.407SS..Hα-helixtrans-66.3-46.6173.2-172.963.8000111.5A207 A223 K224 E225 K229 A230 D231A207-L227 HydrophobicContact CB-CB 4.28Å; A223-L227 WeakPolarHBondContact O-CB 3.44Å; A223-L227 PolarHBondContact O-N 3.13Å; K224-L227 PolarHBondContact O-N 3.42Å; E225-L227 VanDerWaalsContact C-N 3.31Å; E225-L227 PolarHBondContact O-N 3.26Å; L227-K229 VanDerWaalsContact C-N 3.3Å; L227-K229 PolarHBondContact O-N 2.69Å; L227-A230 WeakPolarHBondContact O-CB 3.5Å; L227-A230 PolarHBondContact O-N 3.24Å; L227-A230 VanDerWaalsContact O-N 3.11Å; L227-D231 PolarHBondContact O-N 2.64Å
228L98Very high95.3Very high108 Ų10879.3 Ų79.357%0.56540%0.397SS*.Hα-helixtrans-59-42.4174.6-72.2170.3000111.5K224 E225 A230 D231 Q232K224-L228 WeakPolarHBondContact O-CG 3.34Å; K224-L228 PolarHBondContact O-N 3.14Å; E225-L228 PolarHBondContact O-N 3.43Å; L228-A230 VanDerWaalsContact C-N 3.33Å; L228-A230 PolarHBondContact O-N 2.91Å; L228-D231 PolarHBondContact O-N 3.39Å; L228-Q232 WeakPolarHBondContact O-CG 3.21Å; L228-Q232 PolarHBondContact O-N 3.31Å
229K98Very high94.4Very high75 Ų7577.1 Ų77.133%0.32639%0.391SS..Hα-helixtrans-61.6-40.7175-176175.4178.5179.60112.2E225 F226 L227 Q232 L233E225-K229 PolarHBondContact O-N 3.12Å; F226-K229 PolarHBondContact O-N 2.94Å; L227-K229 VanDerWaalsContact C-N 3.3Å; L227-K229 PolarHBondContact O-N 2.69Å; K229-Q232 PolarHBondContact O-N 3.09Å; K229-L233 HydrophobicContact CG-CD1 4.5Å; K229-L233 WeakPolarHBondContact O-CG 3.33Å; K229-L233 PolarHBondContact O-N 3.19Å
230A98Very high93.1Very high0 Ų077.6 Ų77.60%040%0.395CS..Hα-helixtrans-61-44.4175.400000111.5E200 C203 R204 F226 L227 L228 Q232 L233 A234E200-A230 HydrophobicContact CG-CB 4.17Å; E200-A230 VanDerWaalsContact CG-O 3.24Å; E200-A230 WeakPolarHBondContact CG-O 3.48Å; C203-A230 HydrophobicContact CB-CB 3.81Å; R204-A230 HydrophobicContact CG-CB 3.52Å; F226-A230 WeakPolarHBondContact O-CB 3.34Å; F226-A230 PolarHBondContact O-N 3.43Å; L227-A230 WeakPolarHBondContact O-CB 3.5Å; L227-A230 PolarHBondContact O-N 3.24Å; L227-A230 VanDerWaalsContact O-N 3.11Å; L228-A230 VanDerWaalsContact C-N 3.33Å; L228-A230 PolarHBondContact O-N 2.91Å; A230-Q232 VanDerWaalsContact C-N 3.33Å; A230-Q232 PolarHBondContact O-N 2.75Å; A230-L233 PolarHBondContact O-N 3.3Å; A230-A234 PolarHBondContact O-N 3.47Å
231D97.5Very high91.4Very high63 Ų6378.3 Ų78.334%0.33740%0.398SS..Hα-helixtrans-66.1-35.4179.3-64.2-24000112.4R204 L227 L228 A234 T235R204-D231 IonicContact CZ-OD1 2.7Å; R204-D231 VanDerWaalsContact CZ-OD1 3.28Å; R204-D231 IonicContact NH1-OD1 2.95Å; R204-D231 PolarHBondContact NH1-OD1 3.11Å; R204-D231 IonicContact NH2-OD1 2.9Å; R204-D231 PolarHBondContact NH2-OD1 3.21Å; L227-D231 PolarHBondContact O-N 2.64Å; L228-D231 PolarHBondContact O-N 3.39Å; D231-A234 PolarHBondContact O-N 3.06Å; D231-T235 WeakPolarHBondContact O-CB 3.45Å; D231-T235 PolarHBondContact O-N 3.34Å; D231-T235 PolarHBondContact O-OG1 3.15Å
232Q96.8Very high89.6Confident136 Ų13675.7 Ų75.764%0.63639%0.388SS*.Hα-helixtrans-63.1-45.7171.9-71.7171.5-2.200111.8L228 K229 A230 T235 H236L228-Q232 WeakPolarHBondContact O-CG 3.21Å; L228-Q232 PolarHBondContact O-N 3.31Å; K229-Q232 PolarHBondContact O-N 3.09Å; A230-Q232 VanDerWaalsContact C-N 3.33Å; A230-Q232 PolarHBondContact O-N 2.75Å; Q232-T235 PolarHBondContact O-N 3.26Å; Q232-H236 WeakPolarHBondContact O-CB 3.43Å; Q232-H236 PolarHBondContact O-N 3.03Å
233L95.5Very high87.7Confident35 Ų3574.2 Ų74.218%0.18339%0.389CS..Hα-helixtrans-62.9-42.6176.2-71.4170.7000111.7E200 C203 K229 A230 T235 H236 N237E200-L233 HydrophobicContact CB-CB 4.01Å; E200-L233 HydrophobicContact CG-CB 4.48Å; C203-L233 WeakPolarHBondContact SG-CD1 3.44Å; K229-L233 HydrophobicContact CG-CD1 4.5Å; K229-L233 WeakPolarHBondContact O-CG 3.33Å; K229-L233 PolarHBondContact O-N 3.19Å; A230-L233 PolarHBondContact O-N 3.3Å; L233-T235 VanDerWaalsContact C-N 3.35Å; L233-T235 PolarHBondContact O-N 2.97Å; L233-H236 PolarHBondContact O-N 3.35Å; L233-N237 WeakPolarHBondContact O-CB 3.15Å; L233-N237 PolarHBondContact O-N 2.86Å; L233-N237 PolarHBondContact O-ND2 3.02Å
234A93.5Very high85.5Confident27 Ų2777.7 Ų77.722%0.22341%0.409CS..Hα-helixtrans-59-46.5175.600000111.6E200 A230 D231 N237 N238E200-A234 HydrophobicContact CG-CB 4.07Å; A230-A234 PolarHBondContact O-N 3.47Å; D231-A234 PolarHBondContact O-N 3.06Å; A234-N237 PolarHBondContact O-N 2.93Å; A234-N238 VanDerWaalsContact O-CG 3.31Å; A234-N238 PolarHBondContact O-N 3.27Å; A234-N238 PolarHBondContact O-ND2 3.47Å
235T93.4Very high83.2Confident87 Ų8776.9 Ų76.953%0.53441%0.411SS..Hα-helixtrans-63.2-45.6179.4-56.80000111.2D231 Q232 L233 N238 V239D231-T235 WeakPolarHBondContact O-CB 3.45Å; D231-T235 PolarHBondContact O-N 3.34Å; D231-T235 PolarHBondContact O-OG1 3.15Å; Q232-T235 PolarHBondContact O-N 3.26Å; L233-T235 VanDerWaalsContact C-N 3.35Å; L233-T235 PolarHBondContact O-N 2.97Å; T235-N238 PolarHBondContact O-N 3.45Å; T235-V239 WeakPolarHBondContact O-CG2 3.34Å; T235-V239 PolarHBondContact O-N 2.96Å; T235-V239 VanDerWaalsContact O-N 3.11Å
236H88.2Confident81Confident117 Ų11775.1 Ų75.154%0.54241%0.409SS..Hα-helixtrans-61-47.3177.5-177.8-84.1000111.7Q232 L233 N238 V239 T240Q232-H236 WeakPolarHBondContact O-CB 3.43Å; Q232-H236 PolarHBondContact O-N 3.03Å; L233-H236 PolarHBondContact O-N 3.35Å; H236-N238 VanDerWaalsContact C-N 3.31Å; H236-N238 PolarHBondContact O-N 3.11Å; H236-V239 PolarHBondContact O-N 3.39Å; H236-V239 VanDerWaalsContact O-N 3.14Å; H236-T240 WeakPolarHBondContact O-CG2 3.22Å; H236-T240 PolarHBondContact O-N 3.49Å
237N81.9Confident78.7Confident62 Ų6278.7 Ų78.733%0.33243%0.433SS..Hα-helixtrans-60.8-40.6179.3-69.9-14.5000111.5L233 A234 V239 T240 H241L233-N237 WeakPolarHBondContact O-CB 3.15Å; L233-N237 PolarHBondContact O-N 2.86Å; L233-N237 PolarHBondContact O-ND2 3.02Å; A234-N237 PolarHBondContact O-N 2.93Å; N237-V239 PolarHBondContact O-N 3.32Å; N237-T240 WeakPolarHBondContact CA-OG1 3.33Å; N237-T240 PolarHBondContact O-N 2.99Å; N237-T240 PolarHBondContact O-OG1 3.31Å; N237-H241 PolarHBondContact O-CD2 3.19Å; N237-H241 PolarHBondContact O-N 3.35Å
238N80Confident76.3Confident107 Ų10779.9 Ų79.957%0.57244%0.443SS*.Hα-helixtrans-61.2-42.5174.8-73.2-20.8000112.7A234 T235 H236 H241 T242A234-N238 VanDerWaalsContact O-CG 3.31Å; A234-N238 PolarHBondContact O-N 3.27Å; A234-N238 PolarHBondContact O-ND2 3.47Å; T235-N238 PolarHBondContact O-N 3.45Å; H236-N238 VanDerWaalsContact C-N 3.31Å; H236-N238 PolarHBondContact O-N 3.11Å; N238-H241 PolarHBondContact O-N 2.83Å; N238-T242 WeakPolarHBondContact O-CG2 3.38Å; N238-T242 PolarHBondContact O-N 3.39Å; N238-T242 PolarHBondContact O-OG1 3.43Å
239V78.1Confident73.9Confident85 Ų8579.2 Ų79.252%0.51544%0.443SS..Hα-helixtrans-66.8-35.9177.3176.20000111.9T235 H236 N237 T242 S243T235-V239 WeakPolarHBondContact O-CG2 3.34Å; T235-V239 PolarHBondContact O-N 2.96Å; T235-V239 VanDerWaalsContact O-N 3.11Å; H236-V239 PolarHBondContact O-N 3.39Å; H236-V239 VanDerWaalsContact O-N 3.14Å; N237-V239 PolarHBondContact O-N 3.32Å; V239-T242 WeakPolarHBondContact CA-OG1 3.12Å; V239-T242 PolarHBondContact O-N 2.93Å; V239-T242 PolarHBondContact O-OG1 3.32Å; V239-T242 VanDerWaalsContact O-OG1 3.06Å; V239-S243 WeakPolarHBondContact O-CB 3.4Å; V239-S243 PolarHBondContact O-N 3.06Å; V239-S243 PolarHBondContact O-OG 3.32Å
240T70.1Confident71.5Confident50 Ų5079.2 Ų79.231%0.30746%0.457SS..Hα-helixtrans-67.7-35.4175.460.40000112.5H236 N237 S243 T244H236-T240 WeakPolarHBondContact O-CG2 3.22Å; H236-T240 PolarHBondContact O-N 3.49Å; N237-T240 WeakPolarHBondContact CA-OG1 3.33Å; N237-T240 PolarHBondContact O-N 2.99Å; N237-T240 PolarHBondContact O-OG1 3.31Å; T240-S243 WeakPolarHBondContact CA-OG 3.38Å; T240-S243 PolarHBondContact O-OG 2.98Å; T240-T244 WeakPolarHBondContact O-CG2 3.44Å; T240-T244 PolarHBondContact O-N 2.96Å; T240-T244 PolarHBondContact O-OG1 3Å
241H61.9Low69.2Low121 Ų12184.4 Ų84.456%0.5649%0.489SS*.Hα-helixtrans-73.8-33.6174.9-72.2-58.5000112.9N237 N238 T244 N245N237-H241 PolarHBondContact O-CD2 3.19Å; N237-H241 PolarHBondContact O-N 3.35Å; N238-H241 PolarHBondContact O-N 2.83Å; H241-T244 WeakPolarHBondContact CA-OG1 3.17Å; H241-T244 PolarHBondContact O-OG1 2.73Å; H241-N245 WeakPolarHBondContact O-CB 3.49Å; H241-N245 VanDerWaalsContact O-CG 3.32Å; H241-N245 PolarHBondContact O-N 3.39Å; H241-N245 PolarHBondContact O-ND2 2.95Å
242T60.3Low66.6Low83 Ų8387.8 Ų87.851%0.50951%0.507SS..Hα-helixtrans-74-39.1175.855.80000112.5N238 V239 N245 T246N238-T242 WeakPolarHBondContact O-CG2 3.38Å; N238-T242 PolarHBondContact O-N 3.39Å; N238-T242 PolarHBondContact O-OG1 3.43Å; V239-T242 WeakPolarHBondContact CA-OG1 3.12Å; V239-T242 PolarHBondContact O-N 2.93Å; V239-T242 PolarHBondContact O-OG1 3.32Å; V239-T242 VanDerWaalsContact O-OG1 3.06Å; T242-N245 PolarHBondContact O-N 2.99Å; T242-T246 PolarHBondContact O-N 2.97Å; T242-T246 PolarHBondContact O-OG1 2.86Å; T242-T246 VanDerWaalsContact O-OG1 3.13Å
243S58.1Low63.9Low54 Ų5490.3 Ų90.338%0.37852%0.516SS..Hα-helixtrans-67.2-35.1177.452.80000113.2V239 T240 T246 T247V239-S243 WeakPolarHBondContact O-CB 3.4Å; V239-S243 PolarHBondContact O-N 3.06Å; V239-S243 PolarHBondContact O-OG 3.32Å; T240-S243 WeakPolarHBondContact CA-OG 3.38Å; T240-S243 PolarHBondContact O-OG 2.98Å; S243-T246 WeakPolarHBondContact CA-OG1 3.37Å; S243-T246 PolarHBondContact O-OG1 3.47Å; S243-T246 VanDerWaalsContact O-OG1 3.13Å; S243-T247 PolarHBondContact O-N 3.19Å; S243-T247 PolarHBondContact O-OG1 3.49Å
244T52.6Low61.3Low78 Ų7894.7 Ų94.748%0.47954%0.544SS..Hα-helixtrans-67.3-36.5171.546.40000112T240 H241 T248T240-T244 WeakPolarHBondContact O-CG2 3.44Å; T240-T244 PolarHBondContact O-N 2.96Å; T240-T244 PolarHBondContact O-OG1 3Å; H241-T244 WeakPolarHBondContact CA-OG1 3.17Å; H241-T244 PolarHBondContact O-OG1 2.73Å; T244-T248 PolarHBondContact O-N 3.39Å; T244-T248 PolarHBondContact O-OG1 3.25Å
245N49.6Very low58.8Low109 Ų10998.5 Ų98.558%0.58357%0.569SS**Hα-helixtrans-72.9-37175.9-75.5-13.8000113.7H241 T242 T248 T249H241-N245 WeakPolarHBondContact O-CB 3.49Å; H241-N245 VanDerWaalsContact O-CG 3.32Å; H241-N245 PolarHBondContact O-N 3.39Å; H241-N245 PolarHBondContact O-ND2 2.95Å; T242-N245 PolarHBondContact O-N 2.99Å; N245-T248 PolarHBondContact O-N 3.26Å; N245-T249 PolarHBondContact O-N 3.07Å; N245-T249 VanDerWaalsContact O-N 3.12Å; N245-T249 PolarHBondContact O-OG1 3.45Å
246T52.3Low56.6Low85 Ų85104.5 Ų104.552%0.52161%0.606SS.*Hα-helixtrans-69-33.4176.4470000112.4T242 S243 T248 T249 A250T242-T246 PolarHBondContact O-N 2.97Å; T242-T246 PolarHBondContact O-OG1 2.86Å; T242-T246 VanDerWaalsContact O-OG1 3.13Å; S243-T246 WeakPolarHBondContact CA-OG1 3.37Å; S243-T246 PolarHBondContact O-OG1 3.47Å; S243-T246 VanDerWaalsContact O-OG1 3.13Å; T246-T248 VanDerWaalsContact C-N 3.27Å; T246-T248 PolarHBondContact O-N 3.25Å; T246-T249 WeakPolarHBondContact CA-OG1 3.34Å; T246-T249 PolarHBondContact O-N 2.95Å; T246-T249 PolarHBondContact O-OG1 3.28Å; T246-A250 PolarHBondContact O-N 2.97Å
247T51.3Low55.1Low98 Ų98103.9 Ų103.960%0.60161%0.609SS**Hα-helixtrans-65.1-33.7173.1-45.20000111.4S243S243-T247 PolarHBondContact O-N 3.19Å; S243-T247 PolarHBondContact O-OG1 3.49Å
248T48Very low53.7Low97 Ų97106.1 Ų106.160%0.59562%0.624SS**Hα-helixtrans-73.3-31.2176.4-49.60000112.4T244 N245 T246T244-T248 PolarHBondContact O-N 3.39Å; T244-T248 PolarHBondContact O-OG1 3.25Å; N245-T248 PolarHBondContact O-N 3.26Å; T246-T248 VanDerWaalsContact C-N 3.27Å; T246-T248 PolarHBondContact O-N 3.25Å
249T46Very low52.2Low94 Ų94106.1 Ų106.158%0.57763%0.627SS**Hα-helixtrans-83.4-25.6-179.8220000113.6N245 T246 V251 N252N245-T249 PolarHBondContact O-N 3.07Å; N245-T249 VanDerWaalsContact O-N 3.12Å; N245-T249 PolarHBondContact O-OG1 3.45Å; T246-T249 WeakPolarHBondContact CA-OG1 3.34Å; T246-T249 PolarHBondContact O-N 2.95Å; T246-T249 PolarHBondContact O-OG1 3.28Å; T249-V251 VanDerWaalsContact C-N 3.27Å; T249-V251 PolarHBondContact O-N 2.95Å; T249-N252 PolarHBondContact O-N 3.17Å
250A47.6Very low50.7Low75 Ų75107.3 Ų107.362%0.6263%0.633SS**Hα-helixtrans-68.3-24.1176.800000113.3T246 N252T246-A250 PolarHBondContact O-N 2.97Å; A250-N252 VanDerWaalsContact C-N 3.34Å
251V50.5Low49.5Very low109 Ų109110.9 Ų110.966%0.66165%0.654SS**G310 helixtrans-76.2-20.6179.6-178.90000112.6T249T249-V251 VanDerWaalsContact C-N 3.27Å; T249-V251 PolarHBondContact O-N 2.95Å
252N42.4Very low48.6Very low134 Ų134110.2 Ų110.272%0.71766%0.66SS**G310 helixtrans-96.615.5-174.5-79.8-5.8000115.2T249 A250T249-N252 PolarHBondContact O-N 3.17Å; A250-N252 VanDerWaalsContact C-N 3.34Å
253K40Very low47.8Very low189 Ų189112.1 Ų112.182%0.82267%0.671SS**G310 helixtrans-11918.6-178.2-83.1-165.9177-175.30116.6
254T42.3Very low47Very low128 Ų128116.6 Ų116.679%0.78569%0.693SS**  trans-122.873.1169.6540000111
255S40Very low46.5Very low107 Ų107119.8 Ų119.875%0.74871%0.711SS**  trans-163.676166.450.30000110.6
256T48.5Very low46.3Very low213 Ų213120.8 Ų120.8100%1.30772%0.723SS**  trans-149.80151.250.10000106.7

Retrieved 256 of 256 residues in 72.8 ms (Link to these results)

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