A0A087XT15_POEFO Loading...

Exportin 6

AlphaFold DB , UniProt , Accession A0A087XT15, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,149 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.3Very low70.6Confident248 Ų24880.3 Ų80.3100%1.22245%0.447SS*.  098.10-74.9-177.2162.800107.4
2A45Very low72Confident68 Ų6877.6 Ų77.656%0.56243%0.428SS*.  trans-68.7141169.400000107.7S6A2-S6 WeakPolarHBondContact CB-OG 3.49Å
3S65.1Low73.1Confident74 Ų7480.5 Ų80.552%0.51744%0.442SS..  trans-55.7142.2173.763.70000110E5 S6 S7S3-E5 PolarHBondContact O-N 3.29Å; S3-S6 PolarHBondContact N-OG 3.41Å; S3-S6 VanDerWaalsContact N-OG 3.09Å; S3-S6 PolarHBondContact O-N 3.34Å; S3-S6 PolarHBondContact O-OG 2.8Å; S3-S6 PolarHBondContact OG-N 2.93Å; S3-S6 PolarHBondContact OG-OG 2.91Å; S3-S7 PolarHBondContact O-N 3.42Å
4D67.6Low74Confident69 Ų6977.6 Ų77.637%0.36943%0.426SS..Hα-helixtrans-53.2-28.6-179.9-73.2-45.5000112.8L8 H48 L51D4-L8 PolarHBondContact O-N 3.15Å; D4-H48 IonicContact OD1-CE1 3.16Å; D4-H48 PolarHBondContact OD1-CE1 2.74Å; D4-H48 IonicContact OD1-ND1 2.97Å; D4-H48 PolarHBondContact OD1-ND1 3.41Å; D4-L51 HydrophobicContact CB-CD1 3.88Å; D4-L51 HydrophobicContact CB-CD2 3.9Å
5E72.6Confident74.8Confident117 Ų11773.2 Ų73.255%0.54740%0.401SS..Hα-helixtrans-70.1-38.3175.1-162-179.7167.700113.3S3 L8 R9S3-E5 PolarHBondContact O-N 3.29Å; E5-L8 PolarHBondContact O-N 3.1Å; E5-R9 WeakPolarHBondContact O-CG 3.2Å; E5-R9 PolarHBondContact O-N 3.16Å; E5-R9 VanDerWaalsContact O-N 3.08Å; E5-R9 IonicContact OE1-CZ 3.63Å; E5-R9 IonicContact OE1-NE 3.89Å; E5-R9 IonicContact OE1-NH2 2.73Å; E5-R9 PolarHBondContact OE1-NH2 3.25Å
6S77.4Confident75.5Confident49 Ų4972.9 Ų72.934%0.34340%0.403SS..Hα-helixtrans-68.4-35.2174.251.30000112.7A2 S3 A10A2-S6 WeakPolarHBondContact CB-OG 3.49Å; S3-S6 PolarHBondContact N-OG 3.41Å; S3-S6 VanDerWaalsContact N-OG 3.09Å; S3-S6 PolarHBondContact O-N 3.34Å; S3-S6 PolarHBondContact O-OG 2.8Å; S3-S6 PolarHBondContact OG-N 2.93Å; S3-S6 PolarHBondContact OG-OG 2.91Å; S6-A10 WeakPolarHBondContact O-CB 3.46Å; S6-A10 PolarHBondContact O-N 3.12Å
7S80.1Confident76.2Confident38 Ų3872.6 Ų72.627%0.26640%0.398SS..Hα-helixtrans-67.7-39.2174.7-58.10000111.6S3 A10 L11S3-S7 PolarHBondContact O-N 3.42Å; S7-A10 PolarHBondContact O-N 3.3Å; S7-L11 PolarHBondContact O-N 3.3Å
8L84.1Confident76.8Confident14 Ų1471.3 Ų71.37%0.07339%0.388CS..Hα-helixtrans-62.6-49.4174.817761.9000111.8D4 E5 A10 L11 E12 F52 N55 V61D4-L8 PolarHBondContact O-N 3.15Å; E5-L8 PolarHBondContact O-N 3.1Å; L8-A10 VanDerWaalsContact C-N 3.29Å; L8-A10 PolarHBondContact O-N 2.84Å; L8-L11 PolarHBondContact O-N 2.97Å; L8-L11 VanDerWaalsContact O-N 3.17Å; L8-E12 HydrophobicContact CD1-CG 4.34Å; L8-E12 WeakPolarHBondContact O-CG 3.28Å; L8-E12 PolarHBondContact O-N 3.36Å; L8-F52 HydrophobicContact CB-CD1 3.72Å; L8-F52 HydrophobicContact CB-CE1 3.68Å; L8-F52 HydrophobicContact CD1-CB 3.84Å; L8-F52 HydrophobicContact CD1-CD1 3.51Å; L8-F52 HydrophobicContact CD1-CE1 4.23Å; L8-F52 HydrophobicContact CD1-CG 3.75Å; L8-F52 HydrophobicContact CG-CD1 4.11Å; L8-N55 HydrophobicContact CD2-CB 4.12Å; L8-V61 HydrophobicContact CD1-CG1 4.16Å
9R83.5Confident77.3Confident146 Ų14673 Ų7355%0.55139%0.391SS*.Hα-helixtrans-62.1-36.9178.8-70-177.7-167.5176.36112.3E5 E12 N13E5-R9 WeakPolarHBondContact O-CG 3.2Å; E5-R9 PolarHBondContact O-N 3.16Å; E5-R9 VanDerWaalsContact O-N 3.08Å; E5-R9 IonicContact OE1-CZ 3.63Å; E5-R9 IonicContact OE1-NE 3.89Å; E5-R9 IonicContact OE1-NH2 2.73Å; E5-R9 PolarHBondContact OE1-NH2 3.25Å; R9-E12 PolarHBondContact O-N 3.35Å; R9-N13 VanDerWaalsContact O-CG 3.25Å; R9-N13 PolarHBondContact O-N 2.9Å; R9-N13 VanDerWaalsContact O-N 3.08Å; R9-N13 PolarHBondContact O-ND2 3.3Å
10A83.4Confident77.8Confident49 Ų4974.3 Ų74.341%0.40539%0.394SS..Hα-helixtrans-63.4-43.817500000111.7S6 S7 L8 N13 L14S6-A10 WeakPolarHBondContact O-CB 3.46Å; S6-A10 PolarHBondContact O-N 3.12Å; S7-A10 PolarHBondContact O-N 3.3Å; L8-A10 VanDerWaalsContact C-N 3.29Å; L8-A10 PolarHBondContact O-N 2.84Å; A10-N13 PolarHBondContact O-N 3.36Å; A10-L14 WeakPolarHBondContact O-CG 3.48Å; A10-L14 PolarHBondContact O-N 3.43Å
11L84.9Confident78.1Confident11 Ų1176 Ų766%0.05841%0.412CS..Hα-helixtrans-67.3-39.7177.5-174.161.1000112.3S7 L8 N13 L14 M15 L36 F52 V61 Y64S7-L11 PolarHBondContact O-N 3.3Å; L8-L11 PolarHBondContact O-N 2.97Å; L8-L11 VanDerWaalsContact O-N 3.17Å; L11-N13 VanDerWaalsContact C-N 3.34Å; L11-N13 PolarHBondContact O-N 2.94Å; L11-L14 PolarHBondContact O-N 3.35Å; L11-M15 HydrophobicContact CD1-CG 4.18Å; L11-M15 HydrophobicContact CG-CG 4.38Å; L11-M15 WeakPolarHBondContact O-CB 3.25Å; L11-M15 VanDerWaalsContact O-CG 3.28Å; L11-M15 WeakPolarHBondContact O-CG 3.45Å; L11-M15 PolarHBondContact O-N 3.11Å; L11-L36 HydrophobicContact CD1-CD2 3.67Å; L11-F52 HydrophobicContact CD2-CD2 3.59Å; L11-F52 HydrophobicContact CD2-CE2 3.53Å; L11-F52 HydrophobicContact CD2-CZ 4.49Å; L11-V61 HydrophobicContact CD2-CG1 3.77Å; L11-V61 HydrophobicContact CG-CG1 4.18Å; L11-V61 HydrophobicContact CG-CG2 4.26Å; L11-Y64 HydrophobicContact CD1-CD1 4.16Å; L11-Y64 HydrophobicContact CD1-CE1 4.06Å; L11-Y64 HydrophobicContact CD2-CD1 4.07Å; L11-Y64 HydrophobicContact CD2-CE1 4.24Å
12E86.7Confident80.5Confident48 Ų4868.9 Ų68.922%0.22439%0.386CS..Hα-helixtrans-59.5-43.6174.1-75.7177.1163.100112L8 R9 T16 T56 N58 V61L8-E12 HydrophobicContact CD1-CG 4.34Å; L8-E12 WeakPolarHBondContact O-CG 3.28Å; L8-E12 PolarHBondContact O-N 3.36Å; R9-E12 PolarHBondContact O-N 3.35Å; E12-T16 WeakPolarHBondContact O-CB 3.47Å; E12-T16 PolarHBondContact O-N 3.01Å; E12-T16 PolarHBondContact O-OG1 3.35Å; E12-T56 WeakPolarHBondContact OE1-CB 3.47Å; E12-T56 PolarHBondContact OE1-OG1 3.23Å; E12-N58 HydrophobicContact CG-CB 4.1Å; E12-V61 HydrophobicContact CB-CG2 4.35Å; E12-V61 HydrophobicContact CG-CG2 3.76Å
13N86.2Confident82.6Confident115 Ų11566.8 Ų66.862%0.61537%0.366SS*.Hα-helixtrans-64.6-44.8176.7-70.6-20000111.7R9 A10 L11 T16 E17R9-N13 VanDerWaalsContact O-CG 3.25Å; R9-N13 PolarHBondContact O-N 2.9Å; R9-N13 VanDerWaalsContact O-N 3.08Å; R9-N13 PolarHBondContact O-ND2 3.3Å; A10-N13 PolarHBondContact O-N 3.36Å; L11-N13 VanDerWaalsContact C-N 3.34Å; L11-N13 PolarHBondContact O-N 2.94Å; N13-T16 PolarHBondContact O-N 3.38Å; N13-E17 WeakPolarHBondContact O-CB 3.36Å; N13-E17 PolarHBondContact O-N 2.99Å
14L86.2Confident83.7Confident41 Ų4167.3 Ų67.322%0.21537%0.366CS..Hα-helixtrans-63.2-43.9178.8-76.7169.6000112.6A10 L11 T16 E17 F18 L35A10-L14 WeakPolarHBondContact O-CG 3.48Å; A10-L14 PolarHBondContact O-N 3.43Å; L11-L14 PolarHBondContact O-N 3.35Å; L14-T16 VanDerWaalsContact C-N 3.33Å; L14-E17 PolarHBondContact O-N 3.35Å; L14-F18 WeakPolarHBondContact O-CB 3.25Å; L14-F18 PolarHBondContact O-N 2.87Å; L14-L35 HydrophobicContact CD2-CD1 3.9Å
15M85.8Confident84.6Confident11 Ų1170.4 Ų70.45%0.05438%0.383CS..Hα-helixtrans-67.6-36.9178.3-67.1-59.7-71.700111.3L11 F18 F19 L36 Y60 V61 Y64L11-M15 HydrophobicContact CD1-CG 4.18Å; L11-M15 HydrophobicContact CG-CG 4.38Å; L11-M15 WeakPolarHBondContact O-CB 3.25Å; L11-M15 VanDerWaalsContact O-CG 3.28Å; L11-M15 WeakPolarHBondContact O-CG 3.45Å; L11-M15 PolarHBondContact O-N 3.11Å; M15-F18 PolarHBondContact O-N 3.17Å; M15-F19 HydrophobicContact CE-CE2 3.9Å; M15-F19 VanDerWaalsContact O-CD2 3.31Å; M15-F19 WeakPolarHBondContact O-CD2 3.45Å; M15-F19 PolarHBondContact O-N 3.35Å; M15-L36 HydrophobicContact SD-CD1 3.78Å; M15-L36 HydrophobicContact SD-CD2 4.05Å; M15-Y60 WeakPolarHBondContact CE-O 3.38Å; M15-V61 HydrophobicContact CB-CG2 4.15Å; M15-V61 HydrophobicContact CG-CG2 3.91Å; M15-Y64 HydrophobicContact CE-CG 4.35Å; M15-Y64 HydrophobicContact SD-CG 4.35Å
16T86.3Confident85.3Confident69 Ų6972.7 Ų72.742%0.42339%0.393SS..Hα-helixtrans-67.6-40175.9-52.30000111.4E12 N13 L14 H20E12-T16 WeakPolarHBondContact O-CB 3.47Å; E12-T16 PolarHBondContact O-N 3.01Å; E12-T16 PolarHBondContact O-OG1 3.35Å; N13-T16 PolarHBondContact O-N 3.38Å; L14-T16 VanDerWaalsContact C-N 3.33Å; T16-H20 WeakPolarHBondContact O-CB 3.49Å; T16-H20 PolarHBondContact O-N 3.45Å; T16-H20 VanDerWaalsContact O-N 3.14Å
17E87.5Confident85.8Confident68 Ų6873.5 Ų73.532%0.31839%0.389SS..Hα-helixtrans-62.4-44.9173.1-174.1-173.7161.100111.2N13 L14 F19 H20 T23 R27 I31N13-E17 WeakPolarHBondContact O-CB 3.36Å; N13-E17 PolarHBondContact O-N 2.99Å; L14-E17 PolarHBondContact O-N 3.35Å; E17-F19 VanDerWaalsContact C-N 3.34Å; E17-F19 PolarHBondContact O-N 2.9Å; E17-H20 WeakPolarHBondContact O-CB 3.36Å; E17-H20 PolarHBondContact O-N 3.25Å; E17-T23 HydrophobicContact CG-CG2 4.5Å; E17-T23 WeakPolarHBondContact O-CB 3.33Å; E17-T23 PolarHBondContact O-OG1 2.8Å; E17-R27 IonicContact OE1-CZ 3.52Å; E17-R27 IonicContact OE1-NE 2.81Å; E17-R27 PolarHBondContact OE1-NE 3.2Å; E17-R27 IonicContact OE1-NH2 3.31Å; E17-R27 PolarHBondContact OE1-NH2 2.79Å; E17-R27 IonicContact OE2-NH2 3.71Å; E17-I31 HydrophobicContact CB-CD1 4.47Å; E17-I31 HydrophobicContact CG-CD1 4.07Å
18F86.9Confident86.1Confident49 Ų4974.5 Ų74.522%0.21539%0.388CS..Hα-helixtrans-59.6-41.6-179.5-178.3-90.7000112.9L14 M15 K28 I31 A32L14-F18 WeakPolarHBondContact O-CB 3.25Å; L14-F18 PolarHBondContact O-N 2.87Å; M15-F18 PolarHBondContact O-N 3.17Å; F18-K28 HydrophobicContact CD2-CB 4.06Å; F18-K28 HydrophobicContact CD2-CG 4.15Å; F18-K28 HydrophobicContact CE2-CB 3.76Å; F18-K28 HydrophobicContact CE2-CG 4.19Å; F18-K28 WeakPolarHBondContact CE2-O 3.27Å; F18-K28 WeakPolarHBondContact O-CE 3.26Å; F18-I31 HydrophobicContact CB-CG2 4.29Å; F18-I31 HydrophobicContact CD2-CB 4.21Å; F18-I31 HydrophobicContact CD2-CG2 4.06Å; F18-A32 HydrophobicContact CE2-CB 4.03Å
19F85.4Confident86.1Confident103 Ų10381.7 Ų81.745%0.45242%0.415SS..Hα-helixtrans-89.8-0-179.6-71.1-70.8000114.3M15 E17 Y60M15-F19 HydrophobicContact CE-CE2 3.9Å; M15-F19 VanDerWaalsContact O-CD2 3.31Å; M15-F19 WeakPolarHBondContact O-CD2 3.45Å; M15-F19 PolarHBondContact O-N 3.35Å; E17-F19 VanDerWaalsContact C-N 3.34Å; E17-F19 PolarHBondContact O-N 2.9Å; F19-Y60 HydrophobicContact CB-CE1 4.2Å; F19-Y60 HydrophobicContact CB-CE2 4.21Å; F19-Y60 HydrophobicContact CD1-CE1 4.14Å; F19-Y60 AromaticContact CD2-CD1 3.31Å; F19-Y60 HydrophobicContact CD2-CD1 3.31Å; F19-Y60 HydrophobicContact CD2-CD2 4.05Å; F19-Y60 AromaticContact CD2-CE1 3.57Å; F19-Y60 HydrophobicContact CD2-CE1 3.57Å; F19-Y60 HydrophobicContact CD2-CE2 4.27Å; F19-Y60 AromaticContact CD2-CG 3.58Å; F19-Y60 HydrophobicContact CD2-CG 3.58Å; F19-Y60 HydrophobicContact CE1-CE1 4.45Å; F19-Y60 AromaticContact CE2-CD1 3.38Å; F19-Y60 HydrophobicContact CE2-CD1 3.38Å; F19-Y60 AromaticContact CE2-CE1 3.93Å; F19-Y60 HydrophobicContact CE2-CE1 3.93Å; F19-Y60 AromaticContact CE2-CG 3.86Å; F19-Y60 HydrophobicContact CE2-CG 3.86Å; F19-Y60 AromaticContact CG-CD1 3.96Å; F19-Y60 HydrophobicContact CG-CD1 3.96Å; F19-Y60 AromaticContact CG-CE1 3.7Å; F19-Y60 HydrophobicContact CG-CE1 3.7Å; F19-Y60 HydrophobicContact CG-CE2 4.44Å; F19-Y60 HydrophobicContact CG-CG 4.44Å; F19-Y60 AromaticContact CG-CZ 3.96Å; F19-Y60 HydrophobicContact CZ-CD1 4.06Å; F19-Y60 HydrophobicContact CZ-CE1 4.36Å
20H88.5Confident86.2Confident98 Ų9878.5 Ų78.545%0.45441%0.406SS..  trans-69.8141.9177.5-161.8-90.1000111.7T16 E17 C22 T23T16-H20 WeakPolarHBondContact O-CB 3.49Å; T16-H20 PolarHBondContact O-N 3.45Å; T16-H20 VanDerWaalsContact O-N 3.14Å; E17-H20 WeakPolarHBondContact O-CB 3.36Å; E17-H20 PolarHBondContact O-N 3.25Å; H20-C22 PolarHBondContact ND1-N 2.71Å; H20-C22 PolarHBondContact O-N 3.34Å; H20-T23 PolarHBondContact O-N 2.8Å
21S82.6Confident86.3Confident110 Ų11076.2 Ų76.277%0.76939%0.387SS*.THydrogen-bonded Turntrans-64.7-25.7-17656.70000113.7
22C85Confident86Confident100 Ų10077.5 Ų77.568%0.67640%0.399SS*.THydrogen-bonded Turntrans-89.4-1.2-178.2-54.80000114.7H20H20-C22 PolarHBondContact ND1-N 2.71Å; H20-C22 PolarHBondContact O-N 3.34Å
23T88.1Confident85.4Confident23 Ų2381 Ų8114%0.14142%0.415CS..  trans-82.1127.6-176.8-51.70000110.6E17 H20 R27 K28E17-T23 HydrophobicContact CG-CG2 4.5Å; E17-T23 WeakPolarHBondContact O-CB 3.33Å; E17-T23 PolarHBondContact O-OG1 2.8Å; H20-T23 PolarHBondContact O-N 2.8Å; T23-R27 HydrophobicContact CG2-CB 3.95Å; T23-R27 HydrophobicContact CG2-CG 3.77Å; T23-K28 HydrophobicContact CG2-CG 3.83Å; T23-K28 VanDerWaalsContact O-CE 3.28Å; T23-K28 WeakPolarHBondContact O-CE 2.94Å
24T87.9Confident84.9Confident85 Ų8580.9 Ų80.952%0.52141%0.411SS..  trans-68.6154.8-178.363.60000112E26 R27 K28T24-E26 PolarHBondContact O-N 3.25Å; T24-R27 PolarHBondContact O-N 3.01Å; T24-R27 WeakPolarHBondContact OG1-CB 3.29Å; T24-R27 PolarHBondContact OG1-N 3.12Å; T24-K28 WeakPolarHBondContact O-CG 3.5Å; T24-K28 PolarHBondContact O-N 3.31Å
25N86.9Confident84.5Confident135 Ų13582.3 Ų82.372%0.72242%0.419SS*.Hα-helixtrans-60.6-34.5177.6-71.9-19.2000112.6R29N25-R29 PolarHBondContact O-N 3.23Å
26E87Confident84.4Confident164 Ų16482.6 Ų82.677%0.76642%0.421SS*.Hα-helixtrans-63.4-48.5175.1-68.4175.4179.100111.3T24 K28 R29 E30T24-E26 PolarHBondContact O-N 3.25Å; E26-K28 VanDerWaalsContact C-N 3.35Å; E26-K28 PolarHBondContact O-N 2.93Å; E26-R29 WeakPolarHBondContact O-CB 3.35Å; E26-R29 PolarHBondContact O-N 2.95Å; E26-R29 VanDerWaalsContact O-N 3.15Å; E26-E30 PolarHBondContact O-N 3.24Å
27R88.1Confident84.2Confident67 Ų6783.1 Ų83.125%0.25342%0.42SS..Hα-helixtrans-64.7-38.2178-178.157.3177.7168.35.8112.2E17 T23 T24 R29 E30 I31E17-R27 IonicContact OE1-CZ 3.52Å; E17-R27 IonicContact OE1-NE 2.81Å; E17-R27 PolarHBondContact OE1-NE 3.2Å; E17-R27 IonicContact OE1-NH2 3.31Å; E17-R27 PolarHBondContact OE1-NH2 2.79Å; E17-R27 IonicContact OE2-NH2 3.71Å; T23-R27 HydrophobicContact CG2-CB 3.95Å; T23-R27 HydrophobicContact CG2-CG 3.77Å; T24-R27 PolarHBondContact O-N 3.01Å; T24-R27 WeakPolarHBondContact OG1-CB 3.29Å; T24-R27 PolarHBondContact OG1-N 3.12Å; R27-R29 VanDerWaalsContact C-N 3.32Å; R27-R29 PolarHBondContact O-N 3.45Å; R27-E30 WeakPolarHBondContact CD-OE2 3.42Å; R27-E30 IonicContact CZ-OE2 3.79Å; R27-E30 IonicContact NH1-OE1 2.88Å; R27-E30 PolarHBondContact NH1-OE1 3.3Å; R27-E30 IonicContact NH1-OE2 2.79Å; R27-E30 PolarHBondContact NH1-OE2 3.44Å; R27-E30 PolarHBondContact O-N 3.16Å; R27-I31 HydrophobicContact CG-CD1 3.99Å; R27-I31 VanDerWaalsContact O-CG1 3.3Å; R27-I31 WeakPolarHBondContact O-CG1 3.38Å; R27-I31 PolarHBondContact O-N 3.41Å
28K86.5Confident83.9Confident58 Ų5884 Ų8425%0.25243%0.427SS..Hα-helixtrans-60.7-41.9173.2-71.4-178.2-173.7-176.30111.6F18 T23 T24 E26 I31 A32F18-K28 HydrophobicContact CD2-CB 4.06Å; F18-K28 HydrophobicContact CD2-CG 4.15Å; F18-K28 HydrophobicContact CE2-CB 3.76Å; F18-K28 HydrophobicContact CE2-CG 4.19Å; F18-K28 WeakPolarHBondContact CE2-O 3.27Å; F18-K28 WeakPolarHBondContact O-CE 3.26Å; T23-K28 HydrophobicContact CG2-CG 3.83Å; T23-K28 VanDerWaalsContact O-CE 3.28Å; T23-K28 WeakPolarHBondContact O-CE 2.94Å; T24-K28 WeakPolarHBondContact O-CG 3.5Å; T24-K28 PolarHBondContact O-N 3.31Å; E26-K28 VanDerWaalsContact C-N 3.35Å; E26-K28 PolarHBondContact O-N 2.93Å; K28-I31 PolarHBondContact O-N 2.72Å; K28-A32 WeakPolarHBondContact O-CB 3.38Å; K28-A32 PolarHBondContact O-N 3.39Å
29R84.5Confident83.7Confident166 Ų16683.5 Ų83.563%0.62643%0.425SS*.Hα-helixtrans-63.6-45.7177-169.7179.9-69.4161.6-2.1111.4N25 E26 R27 A32 E33N25-R29 PolarHBondContact O-N 3.23Å; E26-R29 WeakPolarHBondContact O-CB 3.35Å; E26-R29 PolarHBondContact O-N 2.95Å; E26-R29 VanDerWaalsContact O-N 3.15Å; R27-R29 VanDerWaalsContact C-N 3.32Å; R27-R29 PolarHBondContact O-N 3.45Å; R29-A32 PolarHBondContact O-N 3.36Å; R29-E33 VanDerWaalsContact CG-CD 3.44Å; R29-E33 HydrophobicContact CG-CG 4.14Å; R29-E33 WeakPolarHBondContact CG-OE1 3.47Å; R29-E33 WeakPolarHBondContact CG-OE2 3.48Å; R29-E33 WeakPolarHBondContact O-CB 3.37Å; R29-E33 PolarHBondContact O-N 3.07Å
30E86.2Confident83.4Confident79 Ų7979.6 Ų79.637%0.36941%0.412SS..Hα-helixtrans-57.8-50175.9-170-165161.600111.7E26 R27 A32 E34 L35E26-E30 PolarHBondContact O-N 3.24Å; R27-E30 WeakPolarHBondContact CD-OE2 3.42Å; R27-E30 IonicContact CZ-OE2 3.79Å; R27-E30 IonicContact NH1-OE1 2.88Å; R27-E30 PolarHBondContact NH1-OE1 3.3Å; R27-E30 IonicContact NH1-OE2 2.79Å; R27-E30 PolarHBondContact NH1-OE2 3.44Å; R27-E30 PolarHBondContact O-N 3.16Å; E30-A32 VanDerWaalsContact C-N 3.34Å; E30-A32 PolarHBondContact O-N 3.41Å; E30-E34 WeakPolarHBondContact O-CA 3.13Å; E30-E34 WeakPolarHBondContact O-CB 3.49Å; E30-E34 PolarHBondContact O-N 3.23Å; E30-L35 PolarHBondContact O-N 3.28Å
31I84.6Confident82.7Confident0 Ų080.9 Ų80.90%042%0.419CS..Iπ-helixtrans-59.7-44.8178.1-66.4166.9000111E17 F18 R27 K28 L35 L36E17-I31 HydrophobicContact CB-CD1 4.47Å; E17-I31 HydrophobicContact CG-CD1 4.07Å; F18-I31 HydrophobicContact CB-CG2 4.29Å; F18-I31 HydrophobicContact CD2-CB 4.21Å; F18-I31 HydrophobicContact CD2-CG2 4.06Å; R27-I31 HydrophobicContact CG-CD1 3.99Å; R27-I31 VanDerWaalsContact O-CG1 3.3Å; R27-I31 WeakPolarHBondContact O-CG1 3.38Å; R27-I31 PolarHBondContact O-N 3.41Å; K28-I31 PolarHBondContact O-N 2.72Å; I31-L35 HydrophobicContact CG1-CD1 4.45Å; I31-L35 WeakPolarHBondContact O-CB 3.38Å; I31-L35 PolarHBondContact O-N 3.26Å; I31-L36 HydrophobicContact CG2-CD1 4.06Å; I31-L36 HydrophobicContact CG2-CG 4.19Å; I31-L36 WeakPolarHBondContact O-CG 3.38Å; I31-L36 PolarHBondContact O-N 3.37Å
32A79.1Confident82.6Confident38 Ų3880.9 Ų80.931%0.31441%0.406SS..Iπ-helixtrans-70.4-50.7-177.400000113.3F18 K28 R29 E30 N37F18-A32 HydrophobicContact CE2-CB 4.03Å; K28-A32 WeakPolarHBondContact O-CB 3.38Å; K28-A32 PolarHBondContact O-N 3.39Å; R29-A32 PolarHBondContact O-N 3.36Å; E30-A32 VanDerWaalsContact C-N 3.34Å; E30-A32 PolarHBondContact O-N 3.41Å; A32-N37 PolarHBondContact O-N 3.48Å; A32-N37 VanDerWaalsContact O-N 3.12Å
33E73.9Confident81.9Confident121 Ų12182.6 Ų82.657%0.56542%0.42SS*.Iπ-helixtrans-83.4-36.9-171.6-67.9179.1-177.900112.7R29 N37R29-E33 VanDerWaalsContact CG-CD 3.44Å; R29-E33 HydrophobicContact CG-CG 4.14Å; R29-E33 WeakPolarHBondContact CG-OE1 3.47Å; R29-E33 WeakPolarHBondContact CG-OE2 3.48Å; R29-E33 WeakPolarHBondContact O-CB 3.37Å; R29-E33 PolarHBondContact O-N 3.07Å; E33-N37 WeakPolarHBondContact O-CB 3.39Å
34E74.9Confident81.3Confident114 Ų11482.3 Ų82.353%0.53342%0.421SS..Iπ-helixtrans-99.9-33.7-174.7-60.3-170.4169.500113.8E30 N38E30-E34 WeakPolarHBondContact O-CA 3.13Å; E30-E34 WeakPolarHBondContact O-CB 3.49Å; E30-E34 PolarHBondContact O-N 3.23Å; E34-N38 WeakPolarHBondContact O-CB 3.48Å; E34-N38 PolarHBondContact O-ND2 2.87Å
35L79.5Confident81.1Confident71 Ų7178.4 Ų78.437%0.37240%0.397SS..Iπ-helixtrans-97.4-54-175.9-61.1177.8000111.7L14 E30 I31 F39L14-L35 HydrophobicContact CD2-CD1 3.9Å; E30-L35 PolarHBondContact O-N 3.28Å; I31-L35 HydrophobicContact CG1-CD1 4.45Å; I31-L35 WeakPolarHBondContact O-CB 3.38Å; I31-L35 PolarHBondContact O-N 3.26Å; L35-F39 WeakPolarHBondContact O-CB 3.5Å; L35-F39 PolarHBondContact O-N 3.21Å; L35-F39 VanDerWaalsContact O-N 3.11Å
36L83.1Confident81.1Confident17 Ų1772.5 Ų72.59%0.08937%0.365CS..Iπ-helixtrans-72.1-50.1-177-65.1178000111.7L11 M15 I31 N38 F39 A40 Y64L11-L36 HydrophobicContact CD1-CD2 3.67Å; M15-L36 HydrophobicContact SD-CD1 3.78Å; M15-L36 HydrophobicContact SD-CD2 4.05Å; I31-L36 HydrophobicContact CG2-CD1 4.06Å; I31-L36 HydrophobicContact CG2-CG 4.19Å; I31-L36 WeakPolarHBondContact O-CG 3.38Å; I31-L36 PolarHBondContact O-N 3.37Å; L36-N38 VanDerWaalsContact C-N 3.31Å; L36-N38 PolarHBondContact O-N 3Å; L36-F39 PolarHBondContact O-N 2.95Å; L36-F39 VanDerWaalsContact O-N 3.13Å; L36-A40 PolarHBondContact O-N 2.99Å; L36-Y64 WeakPolarHBondContact CA-OH 3.42Å; L36-Y64 HydrophobicContact CB-CE2 3.8Å; L36-Y64 HydrophobicContact CD1-CE2 4.35Å; L36-Y64 HydrophobicContact CD2-CD2 4.48Å; L36-Y64 HydrophobicContact CD2-CE1 4.12Å; L36-Y64 HydrophobicContact CD2-CE2 4Å; L36-Y64 HydrophobicContact CG-CE2 4.26Å; L36-Y64 PolarHBondContact O-OH 3.15Å
37N81.8Confident81.2Confident79 Ų7970.5 Ų70.542%0.42235%0.35SS..Hα-helixtrans-60.4-40.7179.4-164.818.9000112.3A32 E33 F39 A40 Q41A32-N37 PolarHBondContact O-N 3.48Å; A32-N37 VanDerWaalsContact O-N 3.12Å; E33-N37 WeakPolarHBondContact O-CB 3.39Å; N37-F39 PolarHBondContact O-N 2.88Å; N37-A40 PolarHBondContact O-N 2.9Å; N37-Q41 PolarHBondContact ND2-NE2 3.47Å; N37-Q41 WeakPolarHBondContact O-CG 3.46Å; N37-Q41 PolarHBondContact O-N 3.12Å; N37-Q41 VanDerWaalsContact O-N 3.09Å; N37-Q41 PolarHBondContact OD1-NE2 3.42Å; N37-Q41 VanDerWaalsContact OD1-NE2 3.08Å
38N80.6Confident81Confident87 Ų8770.5 Ų70.547%0.46535%0.353SS..Hα-helixtrans-63.6-40.6175.6-77.5-19.2000112.2E34 L36 Q41 Q42E34-N38 WeakPolarHBondContact O-CB 3.48Å; E34-N38 PolarHBondContact O-ND2 2.87Å; L36-N38 VanDerWaalsContact C-N 3.31Å; L36-N38 PolarHBondContact O-N 3Å; N38-Q41 PolarHBondContact O-N 3.49Å; N38-Q42 WeakPolarHBondContact O-CG 3.41Å; N38-Q42 PolarHBondContact O-N 3.45Å
39F82.7Confident81.1Confident38 Ų3867.7 Ų67.717%0.16734%0.341CS..Hα-helixtrans-61.5-46.2173.1175.3-92.4000111.9L35 L36 N37 Q41 Q42 A45 H48 F52 Y64L35-F39 WeakPolarHBondContact O-CB 3.5Å; L35-F39 PolarHBondContact O-N 3.21Å; L35-F39 VanDerWaalsContact O-N 3.11Å; L36-F39 PolarHBondContact O-N 2.95Å; L36-F39 VanDerWaalsContact O-N 3.13Å; N37-F39 PolarHBondContact O-N 2.88Å; F39-Q41 PolarHBondContact O-N 3.24Å; F39-Q42 WeakPolarHBondContact O-CB 3.5Å; F39-Q42 PolarHBondContact O-N 3.28Å; F39-Q42 VanDerWaalsContact O-N 3.09Å; F39-A45 HydrophobicContact CE1-CB 4.33Å; F39-A45 HydrophobicContact CZ-CB 4.45Å; F39-A45 VanDerWaalsContact O-CB 3.26Å; F39-A45 WeakPolarHBondContact O-CB 3.15Å; F39-H48 HydrophobicContact CZ-CB 4.05Å; F39-F52 HydrophobicContact CE1-CE2 4.43Å; F39-F52 AromaticContact CZ-CE2 3.79Å; F39-F52 HydrophobicContact CZ-CE2 3.79Å; F39-F52 HydrophobicContact CZ-CZ 4.43Å; F39-Y64 AromaticContact CD1-CE1 3.88Å; F39-Y64 HydrophobicContact CD1-CE1 3.88Å; F39-Y64 WeakPolarHBondContact CD1-OH 3.31Å; F39-Y64 HydrophobicContact CE1-CE1 4.14Å
40A79.7Confident81.3Confident22 Ų2261.1 Ų61.118%0.18232%0.318CS..Hα-helixtrans-62.3-27.6-179.400000113.3L36 N37 V68L36-A40 PolarHBondContact O-N 2.99Å; N37-A40 PolarHBondContact O-N 2.9Å; A40-V68 HydrophobicContact CB-CG2 3.93Å
41Q75.1Confident81.3Confident125 Ų12559.9 Ų59.958%0.58431%0.314SS*.THydrogen-bonded Turntrans-84.4-9.8177.4-69.1177.922.800114N37 N38 F39N37-Q41 PolarHBondContact ND2-NE2 3.47Å; N37-Q41 WeakPolarHBondContact O-CG 3.46Å; N37-Q41 PolarHBondContact O-N 3.12Å; N37-Q41 VanDerWaalsContact O-N 3.09Å; N37-Q41 PolarHBondContact OD1-NE2 3.42Å; N37-Q41 VanDerWaalsContact OD1-NE2 3.08Å; N38-Q41 PolarHBondContact O-N 3.49Å; F39-Q41 PolarHBondContact O-N 3.24Å
42Q79.3Confident81.5Confident110 Ų11059.9 Ų59.951%0.51431%0.314SS..SBendtrans-67.3137.5179.4-73.417012.800111.9N38 F39 G44 A45N38-Q42 WeakPolarHBondContact O-CG 3.41Å; N38-Q42 PolarHBondContact O-N 3.45Å; F39-Q42 WeakPolarHBondContact O-CB 3.5Å; F39-Q42 PolarHBondContact O-N 3.28Å; F39-Q42 VanDerWaalsContact O-N 3.09Å; Q42-G44 PolarHBondContact O-N 2.89Å; Q42-A45 HydrophobicContact CB-CB 4.25Å; Q42-A45 VanDerWaalsContact O-CB 3.27Å; Q42-A45 WeakPolarHBondContact O-CB 3.27Å; Q42-A45 PolarHBondContact O-N 3.09Å; Q42-A45 VanDerWaalsContact O-N 3.1Å
43S70.5Confident81.9Confident136 Ų13658.4 Ų58.495%0.95130%0.3SS*.THydrogen-bonded Turntrans-62.2121.5174.7-174.30000110.5
44G76.3Confident82.4Confident17 Ų1755.2 Ų55.218%0.17529%0.292CS..THydrogen-bonded Turntrans84.94.6-177.400000115.6Q42 W46 R47Q42-G44 PolarHBondContact O-N 2.89Å; G44-W46 PolarHBondContact O-N 3.45Å; G44-W46 VanDerWaalsContact O-N 3.09Å; G44-R47 WeakPolarHBondContact O-CB 3.06Å; G44-R47 PolarHBondContact O-N 2.98Å
45A83.6Confident83Confident3 Ų354.9 Ų54.93%0.02529%0.293CS..Hα-helixtrans-54.1-30.517700000113.6F39 Q42 R47 H48 C49F39-A45 HydrophobicContact CE1-CB 4.33Å; F39-A45 HydrophobicContact CZ-CB 4.45Å; F39-A45 VanDerWaalsContact O-CB 3.26Å; F39-A45 WeakPolarHBondContact O-CB 3.15Å; Q42-A45 HydrophobicContact CB-CB 4.25Å; Q42-A45 VanDerWaalsContact O-CB 3.27Å; Q42-A45 WeakPolarHBondContact O-CB 3.27Å; Q42-A45 PolarHBondContact O-N 3.09Å; Q42-A45 VanDerWaalsContact O-N 3.1Å; A45-R47 PolarHBondContact O-N 2.92Å; A45-H48 PolarHBondContact O-N 3.26Å; A45-C49 PolarHBondContact O-N 3.21Å; A45-C49 PolarHBondContact O-SG 3.38Å
46W86.6Confident83.4Confident10 Ų1051.9 Ų51.94%0.03828%0.278CS..Hα-helixtrans-62-29.2176.770.8-98.3000113.2G44 C49 L50 F69 L72 D84 E87 I88G44-W46 PolarHBondContact O-N 3.45Å; G44-W46 VanDerWaalsContact O-N 3.09Å; W46-C49 PolarHBondContact O-N 3.46Å; W46-L50 PolarHBondContact O-N 3.24Å; W46-F69 HydrophobicContact CB-CD1 4.44Å; W46-F69 HydrophobicContact CB-CE1 3.86Å; W46-F69 HydrophobicContact CB-CZ 4.22Å; W46-F69 HydrophobicContact CE3-CE1 4.16Å; W46-F69 HydrophobicContact CE3-CZ 4.41Å; W46-F69 VanDerWaalsContact O-CZ 3.3Å; W46-F69 WeakPolarHBondContact O-CZ 3.49Å; W46-L72 HydrophobicContact CB-CD2 3.79Å; W46-L72 HydrophobicContact CG-CD2 4.03Å; W46-D84 HydrophobicContact CH2-CB 4.46Å; W46-D84 HydrophobicContact CZ2-CB 3.7Å; W46-E87 HydrophobicContact CH2-CB 4.22Å; W46-E87 HydrophobicContact CH2-CG 4.16Å; W46-E87 WeakPolarHBondContact CH2-OE2 3.4Å; W46-E87 HydrophobicContact CZ3-CG 4.47Å; W46-I88 HydrophobicContact CD2-CD1 3.85Å; W46-I88 HydrophobicContact CD2-CG1 4.09Å; W46-I88 HydrophobicContact CE3-CD1 3.88Å; W46-I88 HydrophobicContact CE3-CG1 3.59Å; W46-I88 HydrophobicContact CG-CD1 4.3Å; W46-I88 HydrophobicContact CH2-CG1 4.01Å; W46-I88 HydrophobicContact CZ2-CD1 4.49Å; W46-I88 HydrophobicContact CZ2-CG1 4.47Å; W46-I88 HydrophobicContact CZ3-CD1 4.22Å; W46-I88 HydrophobicContact CZ3-CG1 3.55Å
47R87.8Confident83.4Confident122 Ų12262.2 Ų62.246%0.4632%0.316SS..Hα-helixtrans-68.6-41.5176.2-66.1-173.1-178.3130.93111.1G44 A45 L50 L51 D84G44-R47 WeakPolarHBondContact O-CB 3.06Å; G44-R47 PolarHBondContact O-N 2.98Å; A45-R47 PolarHBondContact O-N 2.92Å; R47-L50 PolarHBondContact O-N 3.27Å; R47-L51 PolarHBondContact O-N 2.7Å; R47-L51 VanDerWaalsContact O-N 3.16Å; R47-D84 IonicContact CZ-OD1 3.81Å; R47-D84 IonicContact NH2-OD1 2.72Å; R47-D84 PolarHBondContact NH2-OD1 2.88Å; R47-D84 IonicContact NH2-OD2 3.76Å
48H85.5Confident83.7Confident67 Ų6760 Ų6031%0.3130%0.304SS..Hα-helixtrans-64.4-42.3172.2-63.9-61.5000111D4 F39 A45 L50 L51 F52D4-H48 IonicContact OD1-CE1 3.16Å; D4-H48 PolarHBondContact OD1-CE1 2.74Å; D4-H48 IonicContact OD1-ND1 2.97Å; D4-H48 PolarHBondContact OD1-ND1 3.41Å; F39-H48 HydrophobicContact CZ-CB 4.05Å; A45-H48 PolarHBondContact O-N 3.26Å; H48-L50 VanDerWaalsContact C-N 3.32Å; H48-L50 PolarHBondContact O-N 3.49Å; H48-L51 WeakPolarHBondContact O-CB 3.45Å; H48-L51 PolarHBondContact O-N 3.07Å; H48-L51 VanDerWaalsContact O-N 3.17Å; H48-F52 HydrophobicContact CB-CE1 4.36Å; H48-F52 HydrophobicContact CB-CE2 3.97Å; H48-F52 HydrophobicContact CB-CZ 3.82Å; H48-F52 VanDerWaalsContact O-CD1 3.27Å; H48-F52 WeakPolarHBondContact O-CD1 3.3Å; H48-F52 WeakPolarHBondContact O-CD2 3.24Å; H48-F52 WeakPolarHBondContact O-CG 3.21Å; H48-F52 PolarHBondContact O-N 3.21Å
49C88.9Confident84.2Confident0 Ų060.3 Ų60.30%030%0.303CS..Hα-helixtrans-60-39.5175.3-64.80000112.6A45 W46 L51 F52 L53 F69A45-C49 PolarHBondContact O-N 3.21Å; A45-C49 PolarHBondContact O-SG 3.38Å; W46-C49 PolarHBondContact O-N 3.46Å; C49-L51 VanDerWaalsContact C-N 3.34Å; C49-F52 PolarHBondContact O-N 3.44Å; C49-L53 VanDerWaalsContact O-CG 3.31Å; C49-L53 WeakPolarHBondContact O-CG 3.49Å; C49-L53 PolarHBondContact O-N 3.33Å; C49-F69 HydrophobicContact CB-CD2 4.34Å; C49-F69 HydrophobicContact CB-CE2 3.73Å; C49-F69 HydrophobicContact CB-CZ 4.32Å
50L87.4Confident84.5Confident28 Ų2863.4 Ų63.415%0.14731%0.314CS..Hα-helixtrans-62.3-42.4175.6-17364.8000111.7W46 R47 H48 S54 F69 C91 L92W46-L50 PolarHBondContact O-N 3.24Å; R47-L50 PolarHBondContact O-N 3.27Å; H48-L50 VanDerWaalsContact C-N 3.32Å; H48-L50 PolarHBondContact O-N 3.49Å; L50-S54 PolarHBondContact O-N 3.21Å; L50-S54 PolarHBondContact O-OG 2.99Å; L50-S54 VanDerWaalsContact O-OG 3.05Å; L50-F69 HydrophobicContact CB-CZ 4.13Å; L50-C91 HydrophobicContact CD1-CB 4.14Å; L50-C91 HydrophobicContact CD2-CB 3.96Å; L50-L92 HydrophobicContact CD1-CD2 4Å
51L86.1Confident84.9Confident52 Ų5262.4 Ų62.427%0.27231%0.305SS..Hα-helixtrans-66.3-41.3176.1-175.2143000111.4D4 R47 H48 C49 S54 N55D4-L51 HydrophobicContact CB-CD1 3.88Å; D4-L51 HydrophobicContact CB-CD2 3.9Å; R47-L51 PolarHBondContact O-N 2.7Å; R47-L51 VanDerWaalsContact O-N 3.16Å; H48-L51 WeakPolarHBondContact O-CB 3.45Å; H48-L51 PolarHBondContact O-N 3.07Å; H48-L51 VanDerWaalsContact O-N 3.17Å; C49-L51 VanDerWaalsContact C-N 3.34Å; L51-S54 PolarHBondContact O-N 3.39Å; L51-N55 WeakPolarHBondContact O-CB 3.3Å; L51-N55 PolarHBondContact O-N 3.16Å; L51-N55 PolarHBondContact O-ND2 2.75Å
52F89Confident85.6Confident1 Ų157 Ų570%0.00428%0.281CS..Hα-helixtrans-62-46.6177.6-60-21000111.6L8 L11 F39 H48 C49 S54 N55 T56 V61L8-F52 HydrophobicContact CB-CD1 3.72Å; L8-F52 HydrophobicContact CB-CE1 3.68Å; L8-F52 HydrophobicContact CD1-CB 3.84Å; L8-F52 HydrophobicContact CD1-CD1 3.51Å; L8-F52 HydrophobicContact CD1-CE1 4.23Å; L8-F52 HydrophobicContact CD1-CG 3.75Å; L8-F52 HydrophobicContact CG-CD1 4.11Å; L11-F52 HydrophobicContact CD2-CD2 3.59Å; L11-F52 HydrophobicContact CD2-CE2 3.53Å; L11-F52 HydrophobicContact CD2-CZ 4.49Å; F39-F52 HydrophobicContact CE1-CE2 4.43Å; F39-F52 AromaticContact CZ-CE2 3.79Å; F39-F52 HydrophobicContact CZ-CE2 3.79Å; F39-F52 HydrophobicContact CZ-CZ 4.43Å; H48-F52 HydrophobicContact CB-CE1 4.36Å; H48-F52 HydrophobicContact CB-CE2 3.97Å; H48-F52 HydrophobicContact CB-CZ 3.82Å; H48-F52 VanDerWaalsContact O-CD1 3.27Å; H48-F52 WeakPolarHBondContact O-CD1 3.3Å; H48-F52 WeakPolarHBondContact O-CD2 3.24Å; H48-F52 WeakPolarHBondContact O-CG 3.21Å; H48-F52 PolarHBondContact O-N 3.21Å; C49-F52 PolarHBondContact O-N 3.44Å; F52-S54 PolarHBondContact O-N 3.23Å; F52-N55 PolarHBondContact O-N 3.46Å; F52-N55 VanDerWaalsContact O-N 3.09Å; F52-T56 WeakPolarHBondContact O-CB 3.34Å; F52-T56 WeakPolarHBondContact O-CG2 3.29Å; F52-T56 PolarHBondContact O-N 3.28Å; F52-V61 HydrophobicContact CB-CG1 4.27Å
53L86.8Confident86.1Confident6 Ų654.7 Ų54.73%0.03127%0.27CS..Hα-helixtrans-59-30.6177.3-71.5170000113.1C49 M62 L66 F69 L95 Q99C49-L53 VanDerWaalsContact O-CG 3.31Å; C49-L53 WeakPolarHBondContact O-CG 3.49Å; C49-L53 PolarHBondContact O-N 3.33Å; L53-M62 HydrophobicContact CD2-CB 4.03Å; L53-M62 HydrophobicContact CD2-CG 4.21Å; L53-L66 HydrophobicContact CD1-CD2 3.85Å; L53-L66 HydrophobicContact CD1-CG 4.44Å; L53-L66 HydrophobicContact CD2-CD2 4.19Å; L53-L66 HydrophobicContact CD2-CG 4.01Å; L53-F69 HydrophobicContact CD1-CD2 4.17Å; L53-F69 HydrophobicContact CD1-CE2 3.86Å; L53-L95 HydrophobicContact CB-CD2 3.82Å; L53-L95 HydrophobicContact CD1-CD2 4.12Å; L53-Q99 PolarHBondContact O-OE1 2.89Å
54S85.7Confident87.1Confident55 Ų5549.5 Ų49.539%0.38523%0.23SC..Hα-helixtrans-79.4-25179.4-56.60000113.2L50 L51 F52L50-S54 PolarHBondContact O-N 3.21Å; L50-S54 PolarHBondContact O-OG 2.99Å; L50-S54 VanDerWaalsContact O-OG 3.05Å; L51-S54 PolarHBondContact O-N 3.39Å; F52-S54 PolarHBondContact O-N 3.23Å
55N86.8Confident87.8Confident106 Ų10648.7 Ų48.757%0.56722%0.222SC*.Hα-helixtrans-120.2-18.9-164.4-66.3-29.2000115.2L8 L51 F52L8-N55 HydrophobicContact CD2-CB 4.12Å; L51-N55 WeakPolarHBondContact O-CB 3.3Å; L51-N55 PolarHBondContact O-N 3.16Å; L51-N55 PolarHBondContact O-ND2 2.75Å; F52-N55 PolarHBondContact O-N 3.46Å; F52-N55 VanDerWaalsContact O-N 3.09Å
56T87.8Confident88.2Confident8 Ų848.6 Ų48.65%0.04922%0.221CC..  trans-88.9159.6178.6-167.40000112.4E12 F52 N58 V61 M62E12-T56 WeakPolarHBondContact OE1-CB 3.47Å; E12-T56 PolarHBondContact OE1-OG1 3.23Å; F52-T56 WeakPolarHBondContact O-CB 3.34Å; F52-T56 WeakPolarHBondContact O-CG2 3.29Å; F52-T56 PolarHBondContact O-N 3.28Å; T56-N58 WeakPolarHBondContact OG1-CB 3.32Å; T56-N58 PolarHBondContact OG1-N 2.94Å; T56-V61 HydrophobicContact CG2-CB 4.3Å; T56-V61 HydrophobicContact CG2-CG1 4.16Å; T56-M62 HydrophobicContact CG2-CE 3.9Å; T56-M62 HydrophobicContact CG2-CG 3.66Å; T56-M62 WeakPolarHBondContact O-CE 3.35Å
57R84Confident88.4Confident235 Ų23550.3 Ų50.389%0.88723%0.233SC*.  trans-115-0.4162.5-65.3-174.5-179.8-179.10.4112.4E59R57-E59 PolarHBondContact O-N 3.01Å
58N88.3Confident88.4Confident33 Ų3345 Ų4518%0.17621%0.213CC..  trans-77.4111.8-179.3-172.4-36.1000109.9E12 T56 Y60 V61 M62E12-N58 HydrophobicContact CG-CB 4.1Å; T56-N58 WeakPolarHBondContact OG1-CB 3.32Å; T56-N58 PolarHBondContact OG1-N 2.94Å; N58-Y60 PolarHBondContact O-N 2.83Å; N58-Y60 WeakPolarHBondContact OD1-CB 2.99Å; N58-Y60 WeakPolarHBondContact OD1-CD2 3.19Å; N58-Y60 PolarHBondContact OD1-N 3.02Å; N58-V61 HydrophobicContact CB-CB 4.22Å; N58-V61 HydrophobicContact CB-CG2 4Å; N58-V61 PolarHBondContact O-N 3.03Å; N58-V61 VanDerWaalsContact O-N 3.15Å; N58-M62 PolarHBondContact O-N 2.98Å; N58-M62 VanDerWaalsContact O-N 3.07Å
59E90Very high88.7Confident92 Ų9241.8 Ų41.843%0.4320%0.199SC..Hα-helixtrans-60.2-33.2-176.4-59.2177.6167.700112.5R57 M62 M63 P104 F106R57-E59 PolarHBondContact O-N 3.01Å; E59-M62 PolarHBondContact O-N 3.38Å; E59-M63 PolarHBondContact O-N 3.4Å; E59-P104 HydrophobicContact CG-CG 4.12Å; E59-P104 VanDerWaalsContact OE1-CG 3.22Å; E59-P104 WeakPolarHBondContact OE1-CG 3.5Å; E59-F106 HydrophobicContact CB-CE2 4.47Å; E59-F106 HydrophobicContact CB-CZ 4.33Å; E59-F106 HydrophobicContact CG-CZ 4.46Å
60Y88.6Confident88.7Confident104 Ų10443 Ų4341%0.40820%0.204SC..Hα-helixtrans-66-44.2177.1-57.8-59.2000111.3M15 F19 N58 M62 M63 Y64M15-Y60 WeakPolarHBondContact CE-O 3.38Å; F19-Y60 HydrophobicContact CB-CE1 4.2Å; F19-Y60 HydrophobicContact CB-CE2 4.21Å; F19-Y60 HydrophobicContact CD1-CE1 4.14Å; F19-Y60 AromaticContact CD2-CD1 3.31Å; F19-Y60 HydrophobicContact CD2-CD1 3.31Å; F19-Y60 HydrophobicContact CD2-CD2 4.05Å; F19-Y60 AromaticContact CD2-CE1 3.57Å; F19-Y60 HydrophobicContact CD2-CE1 3.57Å; F19-Y60 HydrophobicContact CD2-CE2 4.27Å; F19-Y60 AromaticContact CD2-CG 3.58Å; F19-Y60 HydrophobicContact CD2-CG 3.58Å; F19-Y60 HydrophobicContact CE1-CE1 4.45Å; F19-Y60 AromaticContact CE2-CD1 3.38Å; F19-Y60 HydrophobicContact CE2-CD1 3.38Å; F19-Y60 AromaticContact CE2-CE1 3.93Å; F19-Y60 HydrophobicContact CE2-CE1 3.93Å; F19-Y60 AromaticContact CE2-CG 3.86Å; F19-Y60 HydrophobicContact CE2-CG 3.86Å; F19-Y60 AromaticContact CG-CD1 3.96Å; F19-Y60 HydrophobicContact CG-CD1 3.96Å; F19-Y60 AromaticContact CG-CE1 3.7Å; F19-Y60 HydrophobicContact CG-CE1 3.7Å; F19-Y60 HydrophobicContact CG-CE2 4.44Å; F19-Y60 HydrophobicContact CG-CG 4.44Å; F19-Y60 AromaticContact CG-CZ 3.96Å; F19-Y60 HydrophobicContact CZ-CD1 4.06Å; F19-Y60 HydrophobicContact CZ-CE1 4.36Å; N58-Y60 PolarHBondContact O-N 2.83Å; N58-Y60 WeakPolarHBondContact OD1-CB 2.99Å; N58-Y60 WeakPolarHBondContact OD1-CD2 3.19Å; N58-Y60 PolarHBondContact OD1-N 3.02Å; Y60-M62 VanDerWaalsContact C-N 3.33Å; Y60-M62 PolarHBondContact O-N 2.8Å; Y60-M63 PolarHBondContact O-N 3.2Å; Y60-Y64 WeakPolarHBondContact O-CB 3.47Å; Y60-Y64 PolarHBondContact O-N 2.94Å
61V89Confident88.6Confident0 Ų044.7 Ų44.70%021%0.214CC..Hα-helixtrans-65.9-38.3177.7177.60000111.2L8 L11 E12 M15 F52 T56 N58 S65L8-V61 HydrophobicContact CD1-CG1 4.16Å; L11-V61 HydrophobicContact CD2-CG1 3.77Å; L11-V61 HydrophobicContact CG-CG1 4.18Å; L11-V61 HydrophobicContact CG-CG2 4.26Å; E12-V61 HydrophobicContact CB-CG2 4.35Å; E12-V61 HydrophobicContact CG-CG2 3.76Å; M15-V61 HydrophobicContact CB-CG2 4.15Å; M15-V61 HydrophobicContact CG-CG2 3.91Å; F52-V61 HydrophobicContact CB-CG1 4.27Å; T56-V61 HydrophobicContact CG2-CB 4.3Å; T56-V61 HydrophobicContact CG2-CG1 4.16Å; N58-V61 HydrophobicContact CB-CB 4.22Å; N58-V61 HydrophobicContact CB-CG2 4Å; N58-V61 PolarHBondContact O-N 3.03Å; N58-V61 VanDerWaalsContact O-N 3.15Å; V61-S65 VanDerWaalsContact O-CB 3.3Å; V61-S65 WeakPolarHBondContact O-CB 3.37Å; V61-S65 PolarHBondContact O-N 2.9Å; V61-S65 PolarHBondContact O-OG 3.45Å
62M89.9Confident88.7Confident13 Ų1342.8 Ų42.86%0.06420%0.203CC..Hα-helixtrans-62.6-49.3174.2-67-175.8178.900111.7L53 T56 N58 E59 Y60 Y64 S65 L66 V103 I107L53-M62 HydrophobicContact CD2-CB 4.03Å; L53-M62 HydrophobicContact CD2-CG 4.21Å; T56-M62 HydrophobicContact CG2-CE 3.9Å; T56-M62 HydrophobicContact CG2-CG 3.66Å; T56-M62 WeakPolarHBondContact O-CE 3.35Å; N58-M62 PolarHBondContact O-N 2.98Å; N58-M62 VanDerWaalsContact O-N 3.07Å; E59-M62 PolarHBondContact O-N 3.38Å; Y60-M62 VanDerWaalsContact C-N 3.33Å; Y60-M62 PolarHBondContact O-N 2.8Å; M62-Y64 VanDerWaalsContact C-N 3.35Å; M62-Y64 PolarHBondContact O-N 3.12Å; M62-S65 PolarHBondContact O-N 2.74Å; M62-L66 WeakPolarHBondContact O-CG 3.46Å; M62-L66 PolarHBondContact O-N 3.46Å; M62-V103 HydrophobicContact CE-CG1 4.49Å; M62-V103 HydrophobicContact SD-CG1 4.27Å; M62-I107 HydrophobicContact CB-CD1 3.84Å; M62-I107 HydrophobicContact CB-CG1 4.43Å; M62-I107 HydrophobicContact CB-CG2 4.15Å; M62-I107 HydrophobicContact SD-CG1 4.45Å; M62-I107 HydrophobicContact SD-CG2 4.11Å
63M90.4Very high88.6Confident60 Ų6042.7 Ų42.730%0.29620%0.203SC..Hα-helixtrans-60.7-43.5177.7-83-55.2-7500112.5E59 Y60 L66 T67 F106 I107 K110E59-M63 PolarHBondContact O-N 3.4Å; Y60-M63 PolarHBondContact O-N 3.2Å; M63-L66 PolarHBondContact O-N 2.95Å; M63-T67 WeakPolarHBondContact O-CB 3.44Å; M63-T67 PolarHBondContact O-N 3.49Å; M63-T67 PolarHBondContact O-OG1 2.79Å; M63-F106 HydrophobicContact CG-CD2 4.32Å; M63-F106 HydrophobicContact CG-CE2 4.26Å; M63-F106 HydrophobicContact SD-CD2 4.08Å; M63-I107 HydrophobicContact CB-CD1 4.33Å; M63-I107 HydrophobicContact CG-CD1 3.37Å; M63-I107 HydrophobicContact SD-CD1 3.53Å; M63-I107 VanDerWaalsContact SD-CD1 3.53Å; M63-K110 HydrophobicContact CE-CD 4.42Å; M63-K110 HydrophobicContact CE-CG 4.23Å; M63-K110 HydrophobicContact SD-CB 4.16Å; M63-K110 HydrophobicContact SD-CG 4.17Å
64Y90.3Very high88.5Confident28 Ų2843.6 Ų43.611%0.1121%0.208CC..Hα-helixtrans-61.1-49176.5174.2-104.7000111.3L11 M15 L36 F39 Y60 M62 L66 T67 V68L11-Y64 HydrophobicContact CD1-CD1 4.16Å; L11-Y64 HydrophobicContact CD1-CE1 4.06Å; L11-Y64 HydrophobicContact CD2-CD1 4.07Å; L11-Y64 HydrophobicContact CD2-CE1 4.24Å; M15-Y64 HydrophobicContact CE-CG 4.35Å; M15-Y64 HydrophobicContact SD-CG 4.35Å; L36-Y64 WeakPolarHBondContact CA-OH 3.42Å; L36-Y64 HydrophobicContact CB-CE2 3.8Å; L36-Y64 HydrophobicContact CD1-CE2 4.35Å; L36-Y64 HydrophobicContact CD2-CD2 4.48Å; L36-Y64 HydrophobicContact CD2-CE1 4.12Å; L36-Y64 HydrophobicContact CD2-CE2 4Å; L36-Y64 HydrophobicContact CG-CE2 4.26Å; L36-Y64 PolarHBondContact O-OH 3.15Å; F39-Y64 AromaticContact CD1-CE1 3.88Å; F39-Y64 HydrophobicContact CD1-CE1 3.88Å; F39-Y64 WeakPolarHBondContact CD1-OH 3.31Å; F39-Y64 HydrophobicContact CE1-CE1 4.14Å; Y60-Y64 WeakPolarHBondContact O-CB 3.47Å; Y60-Y64 PolarHBondContact O-N 2.94Å; M62-Y64 VanDerWaalsContact C-N 3.35Å; M62-Y64 PolarHBondContact O-N 3.12Å; Y64-L66 VanDerWaalsContact C-N 3.32Å; Y64-L66 PolarHBondContact O-N 2.7Å; Y64-T67 CarbonylContact O-C 3.42Å; Y64-T67 WeakPolarHBondContact O-CA 3.41Å; Y64-T67 WeakPolarHBondContact O-CB 3.34Å; Y64-T67 PolarHBondContact O-N 3.45Å; Y64-V68 HydrophobicContact CD1-CG2 4.43Å; Y64-V68 HydrophobicContact CE1-CG2 4Å; Y64-V68 HydrophobicContact CE2-CG2 4.19Å; Y64-V68 WeakPolarHBondContact O-CG2 3.27Å; Y64-V68 PolarHBondContact O-N 3.18Å
65S91.1Very high88.2Confident0 Ų045.2 Ų45.20%021%0.208CC..Hα-helixtrans-58.3-42.6178-61.10000112V61 M62 T67 V68 F69V61-S65 VanDerWaalsContact O-CB 3.3Å; V61-S65 WeakPolarHBondContact O-CB 3.37Å; V61-S65 PolarHBondContact O-N 2.9Å; V61-S65 PolarHBondContact O-OG 3.45Å; M62-S65 PolarHBondContact O-N 2.74Å; S65-T67 VanDerWaalsContact C-N 3.33Å; S65-T67 PolarHBondContact O-N 3.16Å; S65-V68 WeakPolarHBondContact O-CB 3.06Å; S65-V68 PolarHBondContact O-N 3.07Å; S65-F69 VanDerWaalsContact O-CD2 3.25Å; S65-F69 WeakPolarHBondContact O-CD2 3.33Å; S65-F69 PolarHBondContact O-N 3.35Å; S65-F69 VanDerWaalsContact O-N 3.13Å
66L92Very high87.8Confident0 Ų042.7 Ų42.70%019%0.194CC..Hα-helixtrans-67.4-32.2174.7-67.7174.6000113L53 M62 M63 Y64 F69 E70 I107 K110 L111L53-L66 HydrophobicContact CD1-CD2 3.85Å; L53-L66 HydrophobicContact CD1-CG 4.44Å; L53-L66 HydrophobicContact CD2-CD2 4.19Å; L53-L66 HydrophobicContact CD2-CG 4.01Å; M62-L66 WeakPolarHBondContact O-CG 3.46Å; M62-L66 PolarHBondContact O-N 3.46Å; M63-L66 PolarHBondContact O-N 2.95Å; Y64-L66 VanDerWaalsContact C-N 3.32Å; Y64-L66 PolarHBondContact O-N 2.7Å; L66-F69 PolarHBondContact O-N 3.34Å; L66-E70 PolarHBondContact O-N 2.92Å; L66-I107 HydrophobicContact CD1-CG2 3.86Å; L66-I107 WeakPolarHBondContact CD1-O 3.45Å; L66-K110 HydrophobicContact CB-CG 3.75Å; L66-K110 HydrophobicContact CD1-CB 3.86Å; L66-K110 HydrophobicContact CD1-CG 3.84Å; L66-K110 HydrophobicContact CG-CG 4.42Å; L66-L111 HydrophobicContact CD1-CB 4.15Å; L66-L111 HydrophobicContact CD2-CB 3.94Å; L66-L111 HydrophobicContact CD2-CD1 3.73Å; L66-L111 HydrophobicContact CD2-CG 4.37Å
67T90.5Very high87.7Confident47 Ų4742.6 Ų42.629%0.28819%0.192SC..Hα-helixtrans-70.4-34.7175.2-55.50000111.4M63 Y64 S65 E70 N71M63-T67 WeakPolarHBondContact O-CB 3.44Å; M63-T67 PolarHBondContact O-N 3.49Å; M63-T67 PolarHBondContact O-OG1 2.79Å; Y64-T67 CarbonylContact O-C 3.42Å; Y64-T67 WeakPolarHBondContact O-CA 3.41Å; Y64-T67 WeakPolarHBondContact O-CB 3.34Å; Y64-T67 PolarHBondContact O-N 3.45Å; S65-T67 VanDerWaalsContact C-N 3.33Å; S65-T67 PolarHBondContact O-N 3.16Å; T67-E70 PolarHBondContact O-N 2.67Å; T67-N71 WeakPolarHBondContact O-CB 3.48Å; T67-N71 PolarHBondContact O-N 2.79Å; T67-N71 PolarHBondContact O-ND2 2.93Å
68V89.1Confident87.4Confident9 Ų935.2 Ų35.26%0.05517%0.169CC..Hα-helixtrans-61.3-45.3170175.90000110.2A40 Y64 S65 N71 L72A40-V68 HydrophobicContact CB-CG2 3.93Å; Y64-V68 HydrophobicContact CD1-CG2 4.43Å; Y64-V68 HydrophobicContact CE1-CG2 4Å; Y64-V68 HydrophobicContact CE2-CG2 4.19Å; Y64-V68 WeakPolarHBondContact O-CG2 3.27Å; Y64-V68 PolarHBondContact O-N 3.18Å; S65-V68 WeakPolarHBondContact O-CB 3.06Å; S65-V68 PolarHBondContact O-N 3.07Å; V68-N71 PolarHBondContact O-N 3.11Å; V68-L72 VanDerWaalsContact O-CB 3.29Å; V68-L72 WeakPolarHBondContact O-CB 3.14Å; V68-L72 PolarHBondContact O-N 2.83Å
69F91Very high86.8Confident1 Ų135.9 Ų35.90%0.00418%0.184CC..Hα-helixtrans-63.4-44.6174.7-80.2-71.1000113.2W46 C49 L50 L53 S65 L66 N71 L72 V73 I88 L92 V114W46-F69 HydrophobicContact CB-CD1 4.44Å; W46-F69 HydrophobicContact CB-CE1 3.86Å; W46-F69 HydrophobicContact CB-CZ 4.22Å; W46-F69 HydrophobicContact CE3-CE1 4.16Å; W46-F69 HydrophobicContact CE3-CZ 4.41Å; W46-F69 VanDerWaalsContact O-CZ 3.3Å; W46-F69 WeakPolarHBondContact O-CZ 3.49Å; C49-F69 HydrophobicContact CB-CD2 4.34Å; C49-F69 HydrophobicContact CB-CE2 3.73Å; C49-F69 HydrophobicContact CB-CZ 4.32Å; L50-F69 HydrophobicContact CB-CZ 4.13Å; L53-F69 HydrophobicContact CD1-CD2 4.17Å; L53-F69 HydrophobicContact CD1-CE2 3.86Å; S65-F69 VanDerWaalsContact O-CD2 3.25Å; S65-F69 WeakPolarHBondContact O-CD2 3.33Å; S65-F69 PolarHBondContact O-N 3.35Å; S65-F69 VanDerWaalsContact O-N 3.13Å; L66-F69 PolarHBondContact O-N 3.34Å; F69-N71 VanDerWaalsContact C-N 3.34Å; F69-N71 PolarHBondContact O-N 3.42Å; F69-L72 HydrophobicContact CD1-CD2 4.3Å; F69-L72 WeakPolarHBondContact O-CB 3.48Å; F69-L72 PolarHBondContact O-N 2.97Å; F69-V73 WeakPolarHBondContact O-CB 3.35Å; F69-V73 VanDerWaalsContact O-CG2 3.24Å; F69-V73 WeakPolarHBondContact O-CG2 3.44Å; F69-V73 PolarHBondContact O-N 3.31Å; F69-I88 HydrophobicContact CD1-CG2 4.36Å; F69-I88 HydrophobicContact CE1-CD1 4.39Å; F69-I88 HydrophobicContact CE1-CG1 4.29Å; F69-I88 HydrophobicContact CE1-CG2 4.23Å; F69-L92 HydrophobicContact CD1-CD1 4.19Å; F69-L92 HydrophobicContact CE1-CD1 4.45Å; F69-L92 HydrophobicContact CE1-CD2 4.5Å; F69-L92 HydrophobicContact CE2-CD2 4.26Å; F69-L92 HydrophobicContact CG-CD1 4.46Å; F69-L92 HydrophobicContact CZ-CD2 4.25Å; F69-V114 HydrophobicContact CB-CG1 3.68Å; F69-V114 HydrophobicContact CB-CG2 4.35Å
70E89.3Confident86.4Confident25 Ų2532.8 Ų32.812%0.11717%0.17CC..Hα-helixtrans-58.2-46176.6-175.7-176.1-133.800111.3L66 T67 V73 N74 K110 K113 V114L66-E70 PolarHBondContact O-N 2.92Å; T67-E70 PolarHBondContact O-N 2.67Å; E70-V73 PolarHBondContact O-N 3.47Å; E70-N74 WeakPolarHBondContact CG-ND2 3.18Å; E70-N74 VanDerWaalsContact O-CB 3.28Å; E70-N74 WeakPolarHBondContact O-CB 3.34Å; E70-N74 VanDerWaalsContact O-CG 3.29Å; E70-N74 PolarHBondContact O-N 2.95Å; E70-N74 PolarHBondContact O-ND2 3.01Å; E70-K110 IonicContact OE1-NZ 3.4Å; E70-K110 PolarHBondContact OE1-NZ 2.95Å; E70-K110 WeakPolarHBondContact OE2-CE 3.3Å; E70-K110 IonicContact OE2-NZ 2.83Å; E70-K110 PolarHBondContact OE2-NZ 2.84Å; E70-K113 WeakPolarHBondContact OE1-CE 3.28Å; E70-K113 IonicContact OE1-NZ 2.74Å; E70-K113 PolarHBondContact OE1-NZ 3.24Å; E70-V114 HydrophobicContact CB-CG2 4.06Å
71N85.9Confident86.3Confident64 Ų6430.4 Ų30.434%0.34217%0.172SC..Hα-helixtrans-64.4-42175.9-78.2-38.9000112T67 V68 F69 V73 N74 K75T67-N71 WeakPolarHBondContact O-CB 3.48Å; T67-N71 PolarHBondContact O-N 2.79Å; T67-N71 PolarHBondContact O-ND2 2.93Å; V68-N71 PolarHBondContact O-N 3.11Å; F69-N71 VanDerWaalsContact C-N 3.34Å; F69-N71 PolarHBondContact O-N 3.42Å; N71-V73 VanDerWaalsContact C-N 3.33Å; N71-V73 PolarHBondContact O-N 3.46Å; N71-N74 PolarHBondContact O-N 3.48Å; N71-K75 VanDerWaalsContact O-CB 3.25Å; N71-K75 WeakPolarHBondContact O-CB 3.35Å; N71-K75 PolarHBondContact O-N 3.3Å
72L87.3Confident86Confident11 Ų1135 Ų356%0.05820%0.204CC..Iπ-helixtrans-57.6-47.2175.9-179.674.7000110.9W46 V68 F69 M76 W77 L80 I88W46-L72 HydrophobicContact CB-CD2 3.79Å; W46-L72 HydrophobicContact CG-CD2 4.03Å; V68-L72 VanDerWaalsContact O-CB 3.29Å; V68-L72 WeakPolarHBondContact O-CB 3.14Å; V68-L72 PolarHBondContact O-N 2.83Å; F69-L72 HydrophobicContact CD1-CD2 4.3Å; F69-L72 WeakPolarHBondContact O-CB 3.48Å; F69-L72 PolarHBondContact O-N 2.97Å; L72-M76 HydrophobicContact CD1-CB 4.14Å; L72-M76 HydrophobicContact CD1-CE 3.61Å; L72-M76 CarbonylContact O-C 3.5Å; L72-M76 VanDerWaalsContact O-C 3.31Å; L72-M76 WeakPolarHBondContact O-CA 3.38Å; L72-M76 PolarHBondContact O-N 3.3Å; L72-W77 PolarHBondContact O-N 3.29Å; L72-L80 HydrophobicContact CD2-CD2 4.45Å; L72-I88 HydrophobicContact CD2-CD1 3.76Å
73V87.6Confident85.9Confident0 Ų040.2 Ų40.20%023%0.229CC..Iπ-helixtrans-71.5-39.4-178.3177.10000112.1F69 E70 N71 W77 D117 I118 Q121F69-V73 WeakPolarHBondContact O-CB 3.35Å; F69-V73 VanDerWaalsContact O-CG2 3.24Å; F69-V73 WeakPolarHBondContact O-CG2 3.44Å; F69-V73 PolarHBondContact O-N 3.31Å; E70-V73 PolarHBondContact O-N 3.47Å; N71-V73 VanDerWaalsContact C-N 3.33Å; N71-V73 PolarHBondContact O-N 3.46Å; V73-W77 HydrophobicContact CB-CE3 4.27Å; V73-W77 HydrophobicContact CG1-CE3 4.44Å; V73-W77 HydrophobicContact CG2-CE3 3.79Å; V73-W77 HydrophobicContact CG2-CZ3 3.85Å; V73-W77 WeakPolarHBondContact O-CB 3.5Å; V73-D117 HydrophobicContact CB-CB 4.47Å; V73-D117 VanDerWaalsContact CG1-C 3.48Å; V73-D117 HydrophobicContact CG1-CB 3.73Å; V73-D117 WeakPolarHBondContact CG1-O 3.35Å; V73-I118 HydrophobicContact CB-CG1 4.38Å; V73-I118 HydrophobicContact CG1-CB 4.47Å; V73-I118 HydrophobicContact CG1-CG1 3.84Å; V73-I118 HydrophobicContact CG2-CD1 4.18Å; V73-I118 HydrophobicContact CG2-CG1 3.54Å; V73-Q121 HydrophobicContact CG1-CG 4.33Å
74N83.3Confident85.7Confident24 Ų2438.7 Ų38.713%0.12822%0.221CC..Iπ-helixtrans-85-20.9-174.8-65.9-28.7000113.4E70 N71 D117 R120E70-N74 WeakPolarHBondContact CG-ND2 3.18Å; E70-N74 VanDerWaalsContact O-CB 3.28Å; E70-N74 WeakPolarHBondContact O-CB 3.34Å; E70-N74 VanDerWaalsContact O-CG 3.29Å; E70-N74 PolarHBondContact O-N 2.95Å; E70-N74 PolarHBondContact O-ND2 3.01Å; N71-N74 PolarHBondContact O-N 3.48Å; N74-D117 PolarHBondContact ND2-OD2 2.9Å; N74-R120 PolarHBondContact OD1-NH2 3.45Å
75K79.2Confident85.7Confident90 Ų9039 Ų3939%0.39122%0.223SC..Iπ-helixtrans-122.1-35.1-174-60.2-176.5179.3176.70115.2N71N71-K75 VanDerWaalsContact O-CB 3.25Å; N71-K75 WeakPolarHBondContact O-CB 3.35Å; N71-K75 PolarHBondContact O-N 3.3Å
76M79.5Confident85.6Confident53 Ų5344 Ų4426%0.26125%0.248SC..Iπ-helixtrans-115.11.4-171.9-61.2-163-63.200113.6L72 I78 G79 L80 S1141L72-M76 HydrophobicContact CD1-CB 4.14Å; L72-M76 HydrophobicContact CD1-CE 3.61Å; L72-M76 CarbonylContact O-C 3.5Å; L72-M76 VanDerWaalsContact O-C 3.31Å; L72-M76 WeakPolarHBondContact O-CA 3.38Å; L72-M76 PolarHBondContact O-N 3.3Å; M76-I78 PolarHBondContact O-N 2.92Å; M76-G79 PolarHBondContact O-N 2.95Å; M76-L80 PolarHBondContact O-N 2.97Å; M76-S1141 WeakPolarHBondContact CG-O 3.43Å; M76-S1141 VanDerWaalsContact SD-O 3.35Å
77W85.6Confident85.5Confident6 Ų647.4 Ų47.42%0.02326%0.264CS..THydrogen-bonded Turntrans-58.7-44.8-171.5-168.9-110.6000112.3L72 V73 G79 L80 K85 I88 R89 I118 Q121 D122L72-W77 PolarHBondContact O-N 3.29Å; V73-W77 HydrophobicContact CB-CE3 4.27Å; V73-W77 HydrophobicContact CG1-CE3 4.44Å; V73-W77 HydrophobicContact CG2-CE3 3.79Å; V73-W77 HydrophobicContact CG2-CZ3 3.85Å; V73-W77 WeakPolarHBondContact O-CB 3.5Å; W77-G79 VanDerWaalsContact C-N 3.29Å; W77-G79 PolarHBondContact O-N 3.02Å; W77-L80 HydrophobicContact CE3-CD2 4.29Å; W77-L80 HydrophobicContact CZ3-CD2 4.17Å; W77-L80 WeakPolarHBondContact O-CB 3.35Å; W77-L80 PolarHBondContact O-N 3.45Å; W77-L80 VanDerWaalsContact O-N 3.13Å; W77-K85 HydrophobicContact CD2-CG 4.42Å; W77-K85 HydrophobicContact CH2-CB 4.12Å; W77-K85 HydrophobicContact CH2-CG 4.07Å; W77-K85 HydrophobicContact CZ2-CB 4Å; W77-K85 HydrophobicContact CZ2-CD 4.38Å; W77-K85 HydrophobicContact CZ2-CG 3.88Å; W77-K85 HydrophobicContact CZ3-CG 4.41Å; W77-K85 WeakPolarHBondContact O-CE 3.36Å; W77-K85 PolarHBondContact O-NZ 3.28Å; W77-I88 HydrophobicContact CH2-CB 4.48Å; W77-I88 HydrophobicContact CH2-CG2 4.35Å; W77-I88 HydrophobicContact CZ3-CD1 4.2Å; W77-I88 HydrophobicContact CZ3-CG2 4.31Å; W77-R89 HydrophobicContact CH2-CG 4.37Å; W77-R89 HydrophobicContact CZ2-CG 4.38Å; W77-I118 HydrophobicContact CH2-CD1 4.27Å; W77-I118 HydrophobicContact CH2-CG1 3.99Å; W77-I118 HydrophobicContact CH2-CG2 3.82Å; W77-I118 HydrophobicContact CZ2-CG1 4.38Å; W77-I118 HydrophobicContact CZ2-CG2 3.53Å; W77-I118 HydrophobicContact CZ3-CG1 4.28Å; W77-Q121 HydrophobicContact CG-CB 4.41Å; W77-Q121 HydrophobicContact CG-CG 4.34Å; W77-D122 WeakPolarHBondContact CZ2-OD2 3.32Å; W77-D122 VanDerWaalsContact NE1-CG 3.35Å; W77-D122 PolarHBondContact NE1-OD1 3.12Å; W77-D122 PolarHBondContact NE1-OD2 3.49Å
78I78.5Confident85.5Confident79 Ų7945.2 Ų45.241%0.40525%0.251SS..THydrogen-bonded Turntrans-59.7-41.4-178-55.5172000111.3M76 L80 K85 Y1134 L1149M76-I78 PolarHBondContact O-N 2.92Å; I78-L80 VanDerWaalsContact C-N 3.3Å; I78-L80 PolarHBondContact O-N 3.4Å; I78-K85 PolarHBondContact O-NZ 3.46Å; I78-Y1134 WeakPolarHBondContact CD1-OH 3.42Å; I78-L1149 HydrophobicContact CB-CD1 4.24Å; I78-L1149 HydrophobicContact CG2-CD1 3.5Å; I78-L1149 VanDerWaalsContact CG2-CD1 3.5Å
79G74.6Confident85.6Confident47 Ų4747 Ų4749%0.48526%0.256SS..THydrogen-bonded Turntrans-76.2-8.9-179.300000115.4M76 W77M76-G79 PolarHBondContact O-N 2.95Å; W77-G79 VanDerWaalsContact C-N 3.29Å; W77-G79 PolarHBondContact O-N 3.02Å
80L82.6Confident85.5Confident27 Ų2749.2 Ų49.214%0.14127%0.272CS..SBendtrans-76.7141.6179.8-169.370.4000111.6L72 M76 W77 I78 D84 K85 I88L72-L80 HydrophobicContact CD2-CD2 4.45Å; M76-L80 PolarHBondContact O-N 2.97Å; W77-L80 HydrophobicContact CE3-CD2 4.29Å; W77-L80 HydrophobicContact CZ3-CD2 4.17Å; W77-L80 WeakPolarHBondContact O-CB 3.35Å; W77-L80 PolarHBondContact O-N 3.45Å; W77-L80 VanDerWaalsContact O-N 3.13Å; I78-L80 VanDerWaalsContact C-N 3.3Å; I78-L80 PolarHBondContact O-N 3.4Å; L80-D84 HydrophobicContact CD1-CB 3.97Å; L80-D84 HydrophobicContact CD2-CB 3.99Å; L80-D84 HydrophobicContact CG-CB 3.83Å; L80-K85 HydrophobicContact CB-CG 4.21Å; L80-K85 HydrophobicContact CD2-CG 3.9Å; L80-K85 HydrophobicContact CG-CG 4.23Å; L80-K85 WeakPolarHBondContact O-CE 3.23Å; L80-K85 PolarHBondContact O-NZ 2.87Å; L80-I88 HydrophobicContact CD2-CD1 3.7Å
81A85.1Confident85.5Confident54 Ų5449.7 Ų49.745%0.44628%0.278SS..  trans-59.4144.5177.100000111.8Q83 D84 K85A81-Q83 PolarHBondContact O-N 3.41Å; A81-D84 PolarHBondContact O-N 3.35Å; A81-D84 VanDerWaalsContact O-N 3.16Å; A81-K85 WeakPolarHBondContact O-CG 3.33Å; A81-K85 PolarHBondContact O-N 3.41Å
82S84.2Confident85.8Confident96 Ų9646.7 Ų46.767%0.67126%0.262SS*.Hα-helixtrans-59-35-178.553.90000113.2M86S82-M86 WeakPolarHBondContact O-CB 3.23Å; S82-M86 PolarHBondContact O-N 2.95Å
83Q86.1Confident86Confident124 Ų12447.6 Ų47.658%0.57927%0.268SS*.Hα-helixtrans-64.8-46.1176.6-171.762.525.300111.8A81 M86 E87A81-Q83 PolarHBondContact O-N 3.41Å; Q83-M86 WeakPolarHBondContact O-CB 3.34Å; Q83-M86 PolarHBondContact O-N 3.44Å; Q83-E87 PolarHBondContact O-N 3.26Å
84D87.9Confident86.2Confident27 Ų2754.3 Ų54.314%0.14430%0.298CS..Hα-helixtrans-65.5-40.6178.6-68.6-20.6000110.9W46 R47 L80 A81 M86 E87 I88W46-D84 HydrophobicContact CH2-CB 4.46Å; W46-D84 HydrophobicContact CZ2-CB 3.7Å; R47-D84 IonicContact CZ-OD1 3.81Å; R47-D84 IonicContact NH2-OD1 2.72Å; R47-D84 PolarHBondContact NH2-OD1 2.88Å; R47-D84 IonicContact NH2-OD2 3.76Å; L80-D84 HydrophobicContact CD1-CB 3.97Å; L80-D84 HydrophobicContact CD2-CB 3.99Å; L80-D84 HydrophobicContact CG-CB 3.83Å; A81-D84 PolarHBondContact O-N 3.35Å; A81-D84 VanDerWaalsContact O-N 3.16Å; D84-M86 VanDerWaalsContact C-N 3.32Å; D84-M86 PolarHBondContact O-N 3.06Å; D84-E87 PolarHBondContact O-N 3.23Å; D84-I88 VanDerWaalsContact O-CG1 3.27Å; D84-I88 WeakPolarHBondContact O-CG1 3.22Å; D84-I88 PolarHBondContact O-N 2.96Å
85K89.4Confident86.5Confident34 Ų3454 Ų5415%0.14830%0.295CS..Hα-helixtrans-57.6-44.9172.6-70.2174.9176.9167.80111.9W77 I78 L80 A81 R89W77-K85 HydrophobicContact CD2-CG 4.42Å; W77-K85 HydrophobicContact CH2-CB 4.12Å; W77-K85 HydrophobicContact CH2-CG 4.07Å; W77-K85 HydrophobicContact CZ2-CB 4Å; W77-K85 HydrophobicContact CZ2-CD 4.38Å; W77-K85 HydrophobicContact CZ2-CG 3.88Å; W77-K85 HydrophobicContact CZ3-CG 4.41Å; W77-K85 WeakPolarHBondContact O-CE 3.36Å; W77-K85 PolarHBondContact O-NZ 3.28Å; I78-K85 PolarHBondContact O-NZ 3.46Å; L80-K85 HydrophobicContact CB-CG 4.21Å; L80-K85 HydrophobicContact CD2-CG 3.9Å; L80-K85 HydrophobicContact CG-CG 4.23Å; L80-K85 WeakPolarHBondContact O-CE 3.23Å; L80-K85 PolarHBondContact O-NZ 2.87Å; A81-K85 WeakPolarHBondContact O-CG 3.33Å; A81-K85 PolarHBondContact O-N 3.41Å; K85-R89 WeakPolarHBondContact O-CB 3.41Å; K85-R89 VanDerWaalsContact O-CG 3.28Å; K85-R89 WeakPolarHBondContact O-CG 3.26Å; K85-R89 PolarHBondContact O-N 3.28Å; K85-R89 PolarHBondContact O-NE 3.04Å
86M88.3Confident87.1Confident105 Ų10549.9 Ų49.952%0.51728%0.278SS..Hα-helixtrans-64.5-42.8179.1-173.2-175.5-68.400111.1S82 Q83 D84 R89 S90S82-M86 WeakPolarHBondContact O-CB 3.23Å; S82-M86 PolarHBondContact O-N 2.95Å; Q83-M86 WeakPolarHBondContact O-CB 3.34Å; Q83-M86 PolarHBondContact O-N 3.44Å; D84-M86 VanDerWaalsContact C-N 3.32Å; D84-M86 PolarHBondContact O-N 3.06Å; M86-R89 PolarHBondContact O-N 2.91Å; M86-S90 WeakPolarHBondContact O-CB 3.47Å; M86-S90 PolarHBondContact O-N 2.9Å; M86-S90 PolarHBondContact O-OG 2.93Å
87E89.8Confident87.6Confident72 Ų7251.2 Ų51.234%0.33629%0.286SS..Hα-helixtrans-60.3-51.6177.1-170175.1176.400111W46 Q83 D84 R89 S90 C91W46-E87 HydrophobicContact CH2-CB 4.22Å; W46-E87 HydrophobicContact CH2-CG 4.16Å; W46-E87 WeakPolarHBondContact CH2-OE2 3.4Å; W46-E87 HydrophobicContact CZ3-CG 4.47Å; Q83-E87 PolarHBondContact O-N 3.26Å; D84-E87 PolarHBondContact O-N 3.23Å; E87-R89 PolarHBondContact O-N 3.41Å; E87-S90 PolarHBondContact O-N 3.49Å; E87-S90 VanDerWaalsContact O-N 3.09Å; E87-S90 PolarHBondContact O-OG 2.71Å; E87-C91 WeakPolarHBondContact O-CB 3.46Å; E87-C91 PolarHBondContact O-N 3.29Å; E87-C91 PolarHBondContact O-SG 3.32Å; E87-C91 VanDerWaalsContact O-SG 3.34Å
88I90.7Very high87.7Confident2 Ų254.8 Ų54.81%0.0132%0.316CS..Hα-helixtrans-58.1-46.6178-64.8169.7000111.1W46 F69 L72 W77 L80 D84 S90 C91 L92 I118W46-I88 HydrophobicContact CD2-CD1 3.85Å; W46-I88 HydrophobicContact CD2-CG1 4.09Å; W46-I88 HydrophobicContact CE3-CD1 3.88Å; W46-I88 HydrophobicContact CE3-CG1 3.59Å; W46-I88 HydrophobicContact CG-CD1 4.3Å; W46-I88 HydrophobicContact CH2-CG1 4.01Å; W46-I88 HydrophobicContact CZ2-CD1 4.49Å; W46-I88 HydrophobicContact CZ2-CG1 4.47Å; W46-I88 HydrophobicContact CZ3-CD1 4.22Å; W46-I88 HydrophobicContact CZ3-CG1 3.55Å; F69-I88 HydrophobicContact CD1-CG2 4.36Å; F69-I88 HydrophobicContact CE1-CD1 4.39Å; F69-I88 HydrophobicContact CE1-CG1 4.29Å; F69-I88 HydrophobicContact CE1-CG2 4.23Å; L72-I88 HydrophobicContact CD2-CD1 3.76Å; W77-I88 HydrophobicContact CH2-CB 4.48Å; W77-I88 HydrophobicContact CH2-CG2 4.35Å; W77-I88 HydrophobicContact CZ3-CD1 4.2Å; W77-I88 HydrophobicContact CZ3-CG2 4.31Å; L80-I88 HydrophobicContact CD2-CD1 3.7Å; D84-I88 VanDerWaalsContact O-CG1 3.27Å; D84-I88 WeakPolarHBondContact O-CG1 3.22Å; D84-I88 PolarHBondContact O-N 2.96Å; I88-S90 PolarHBondContact O-N 2.9Å; I88-C91 PolarHBondContact O-N 3.26Å; I88-L92 HydrophobicContact CG2-CD1 3.65Å; I88-L92 HydrophobicContact CG2-CG 4.14Å; I88-L92 PolarHBondContact O-N 2.89Å; I88-L92 VanDerWaalsContact O-N 3.14Å; I88-I118 HydrophobicContact CG2-CD1 3.83Å
89R90.9Very high88.1Confident45 Ų4553.2 Ų53.217%0.1731%0.307CS..Hα-helixtrans-60.2-32.3177.4-79.5-174.9-63.2123.8-13113W77 K85 M86 E87 P93 I118 D122 F126 Y127W77-R89 HydrophobicContact CH2-CG 4.37Å; W77-R89 HydrophobicContact CZ2-CG 4.38Å; K85-R89 WeakPolarHBondContact O-CB 3.41Å; K85-R89 VanDerWaalsContact O-CG 3.28Å; K85-R89 WeakPolarHBondContact O-CG 3.26Å; K85-R89 PolarHBondContact O-N 3.28Å; K85-R89 PolarHBondContact O-NE 3.04Å; M86-R89 PolarHBondContact O-N 2.91Å; E87-R89 PolarHBondContact O-N 3.41Å; R89-P93 WeakPolarHBondContact O-CD 3.26Å; R89-P93 VanDerWaalsContact O-CG 3.28Å; R89-P93 WeakPolarHBondContact O-CG 3.42Å; R89-I118 HydrophobicContact CG-CG2 3.5Å; R89-D122 WeakPolarHBondContact CD-OD2 3.37Å; R89-D122 IonicContact NE-OD2 2.74Å; R89-D122 PolarHBondContact NE-OD2 3.39Å; R89-F126 PolarHBondContact NH1-O 2.86Å; R89-Y127 HydrophobicContact CG-CD1 4.38Å
90S88.7Confident88.7Confident49 Ų4952.3 Ų52.334%0.34329%0.29SS..Hα-helixtrans-84.9-31.918079.80000113.4M86 E87 I88 K94M86-S90 WeakPolarHBondContact O-CB 3.47Å; M86-S90 PolarHBondContact O-N 2.9Å; M86-S90 PolarHBondContact O-OG 2.93Å; E87-S90 PolarHBondContact O-N 3.49Å; E87-S90 VanDerWaalsContact O-N 3.09Å; E87-S90 PolarHBondContact O-OG 2.71Å; I88-S90 PolarHBondContact O-N 2.9Å; S90-K94 VanDerWaalsContact O-CD 3.25Å; S90-K94 WeakPolarHBondContact O-CD 3.22Å; S90-K94 WeakPolarHBondContact O-CE 3.46Å; S90-K94 VanDerWaalsContact O-CG 3.26Å; S90-K94 WeakPolarHBondContact O-CG 3.45Å
91C90.8Very high88.9Confident35 Ų3559.1 Ų59.124%0.23632%0.319CS..Hα-helixtrans-87.2-43.6-171.6-71.40000113.1L50 E87 I88 K94 L95L50-C91 HydrophobicContact CD1-CB 4.14Å; L50-C91 HydrophobicContact CD2-CB 3.96Å; E87-C91 WeakPolarHBondContact O-CB 3.46Å; E87-C91 PolarHBondContact O-N 3.29Å; E87-C91 PolarHBondContact O-SG 3.32Å; E87-C91 VanDerWaalsContact O-SG 3.34Å; I88-C91 PolarHBondContact O-N 3.26Å; C91-K94 PolarHBondContact O-N 3.49Å; C91-L95 WeakPolarHBondContact O-CB 3.39Å; C91-L95 PolarHBondContact O-N 3.07Å
92L92.1Very high88.9Confident1 Ų161 Ų611%0.00533%0.329CS..Hα-helixtrans-63.7-42.7-176.3-65.9-178.9000113.5L50 F69 I88 K94 L95 L96 L111 V114 I115 I118L50-L92 HydrophobicContact CD1-CD2 4Å; F69-L92 HydrophobicContact CD1-CD1 4.19Å; F69-L92 HydrophobicContact CE1-CD1 4.45Å; F69-L92 HydrophobicContact CE1-CD2 4.5Å; F69-L92 HydrophobicContact CE2-CD2 4.26Å; F69-L92 HydrophobicContact CG-CD1 4.46Å; F69-L92 HydrophobicContact CZ-CD2 4.25Å; I88-L92 HydrophobicContact CG2-CD1 3.65Å; I88-L92 HydrophobicContact CG2-CG 4.14Å; I88-L92 PolarHBondContact O-N 2.89Å; I88-L92 VanDerWaalsContact O-N 3.14Å; L92-K94 PolarHBondContact O-N 2.96Å; L92-L95 PolarHBondContact O-N 3.34Å; L92-L96 PolarHBondContact O-N 2.83Å; L92-L111 HydrophobicContact CB-CD1 4.25Å; L92-L111 HydrophobicContact CD2-CD1 4.08Å; L92-V114 HydrophobicContact CD1-CG1 3.78Å; L92-I115 HydrophobicContact CB-CD1 4.3Å; L92-I115 HydrophobicContact CB-CG1 3.97Å; L92-I118 HydrophobicContact CD1-CD1 3.97Å
93P91Very high89.1Confident29 Ų2957.5 Ų57.519%0.18830%0.303CS..Hα-helixtrans-64-37.5174.3-24.136.2000113.2R89 L96 L97 I115 Y127R89-P93 WeakPolarHBondContact O-CD 3.26Å; R89-P93 VanDerWaalsContact O-CG 3.28Å; R89-P93 WeakPolarHBondContact O-CG 3.42Å; P93-L96 PolarHBondContact O-N 3.46Å; P93-L97 WeakPolarHBondContact O-CG 3.43Å; P93-L97 PolarHBondContact O-N 2.98Å; P93-I115 HydrophobicContact CG-CD1 4.36Å; P93-I115 HydrophobicContact CG-CG2 4.33Å; P93-Y127 WeakPolarHBondContact CG-OH 3.17Å
94K90.8Very high89.2Confident142 Ų14253.4 Ų53.462%0.61729%0.287SS*.Hα-helixtrans-63.8-42.8175.3-70.6175.4-172.3171.70111.3S90 C91 L92 L97 A98S90-K94 VanDerWaalsContact O-CD 3.25Å; S90-K94 WeakPolarHBondContact O-CD 3.22Å; S90-K94 WeakPolarHBondContact O-CE 3.46Å; S90-K94 VanDerWaalsContact O-CG 3.26Å; S90-K94 WeakPolarHBondContact O-CG 3.45Å; C91-K94 PolarHBondContact O-N 3.49Å; L92-K94 PolarHBondContact O-N 2.96Å; K94-L97 PolarHBondContact O-N 3.13Å; K94-A98 WeakPolarHBondContact O-CB 3.42Å; K94-A98 PolarHBondContact O-N 2.95Å
95L90.5Very high89.2Confident16 Ų1659.7 Ų59.78%0.08431%0.31CS..Hα-helixtrans-61.7-45.6175.7-176.371.8000111.2L53 C91 L92 L97 A98 Q99 L111L53-L95 HydrophobicContact CB-CD2 3.82Å; L53-L95 HydrophobicContact CD1-CD2 4.12Å; C91-L95 WeakPolarHBondContact O-CB 3.39Å; C91-L95 PolarHBondContact O-N 3.07Å; L92-L95 PolarHBondContact O-N 3.34Å; L95-L97 PolarHBondContact O-N 3.46Å; L95-A98 PolarHBondContact O-N 3.36Å; L95-Q99 HydrophobicContact CD1-CG 4.22Å; L95-Q99 WeakPolarHBondContact O-CB 3.46Å; L95-Q99 PolarHBondContact O-N 3.36Å; L95-L111 HydrophobicContact CD2-CD2 4.41Å
96L91.1Very high89.2Confident5 Ų561.6 Ų61.63%0.02632%0.319CS..Hα-helixtrans-56.6-50.9175.8-18066.3000110.7L92 P93 A98 Q99 H100 R108 L111 I115 L146 M150L92-L96 PolarHBondContact O-N 2.83Å; P93-L96 PolarHBondContact O-N 3.46Å; L96-A98 VanDerWaalsContact C-N 3.32Å; L96-A98 PolarHBondContact O-N 3.49Å; L96-Q99 PolarHBondContact O-N 3.42Å; L96-H100 HydrophobicContact CD1-CB 4.31Å; L96-H100 WeakPolarHBondContact O-CA 3.43Å; L96-H100 WeakPolarHBondContact O-CB 3.45Å; L96-H100 PolarHBondContact O-N 3.21Å; L96-H100 PolarHBondContact O-ND1 3.21Å; L96-R108 HydrophobicContact CD1-CG 4.08Å; L96-L111 HydrophobicContact CB-CD2 3.78Å; L96-L111 HydrophobicContact CB-CG 4.22Å; L96-L111 HydrophobicContact CD1-CB 4.42Å; L96-L111 HydrophobicContact CD1-CD2 3.81Å; L96-L111 HydrophobicContact CD1-CG 4.05Å; L96-L111 HydrophobicContact CG-CD2 4.41Å; L96-I115 HydrophobicContact CB-CD1 4.05Å; L96-I115 HydrophobicContact CD2-CD1 3.77Å; L96-I115 HydrophobicContact CG-CD1 4.5Å; L96-L146 HydrophobicContact CD1-CD1 4.11Å; L96-L146 HydrophobicContact CD2-CD1 4.23Å; L96-L146 HydrophobicContact CD2-CD2 4.31Å; L96-L146 HydrophobicContact CG-CD1 4.35Å; L96-L146 HydrophobicContact CG-CD2 4.21Å; L96-M150 HydrophobicContact CD2-SD 3.95Å
97L90.7Very high89.4Confident81 Ų8156.9 Ų56.942%0.42430%0.295SS..Hα-helixtrans-63.4-37.3179.8-68.6176.9000112.7P93 K94 L95 H100 L137 L143 L146P93-L97 WeakPolarHBondContact O-CG 3.43Å; P93-L97 PolarHBondContact O-N 2.98Å; K94-L97 PolarHBondContact O-N 3.13Å; L95-L97 PolarHBondContact O-N 3.46Å; L97-H100 PolarHBondContact O-CE1 2.94Å; L97-H100 VanDerWaalsContact O-CE1 3.25Å; L97-H100 PolarHBondContact O-ND1 2.91Å; L97-L137 HydrophobicContact CD2-CD2 3.88Å; L97-L143 HydrophobicContact CD2-CD1 4.29Å; L97-L146 HydrophobicContact CD2-CD2 4.3Å
98A88.4Confident89.6Confident80 Ų8055.8 Ų55.866%0.66129%0.288SS*.Hα-helixtrans-69.6-37178.500000113.3K94 L95 L96K94-A98 WeakPolarHBondContact O-CB 3.42Å; K94-A98 PolarHBondContact O-N 2.95Å; L95-A98 PolarHBondContact O-N 3.36Å; L96-A98 VanDerWaalsContact C-N 3.32Å; L96-A98 PolarHBondContact O-N 3.49Å
99Q87.2Confident89.7Confident46 Ų4658.2 Ų58.222%0.21530%0.301CS..Hα-helixtrans-116.7-4.7-167-63.9-174.2-12.700115.4L53 L95 L96 K101 S102 V103L53-Q99 PolarHBondContact O-OE1 2.89Å; L95-Q99 HydrophobicContact CD1-CG 4.22Å; L95-Q99 WeakPolarHBondContact O-CB 3.46Å; L95-Q99 PolarHBondContact O-N 3.36Å; L96-Q99 PolarHBondContact O-N 3.42Å; Q99-K101 PolarHBondContact O-N 3.41Å; Q99-S102 WeakPolarHBondContact CA-OG 3.46Å; Q99-S102 PolarHBondContact O-N 3.28Å; Q99-S102 PolarHBondContact O-OG 2.97Å; Q99-V103 HydrophobicContact CB-CG1 4.22Å; Q99-V103 PolarHBondContact O-N 3.49Å
100H86.3Confident89.8Confident29 Ų2957.8 Ų57.813%0.13430%0.301CS..THydrogen-bonded Turntrans-55.8-23.5-174.566.4-73.8000115.4L96 L97 R108 L146L96-H100 HydrophobicContact CD1-CB 4.31Å; L96-H100 WeakPolarHBondContact O-CA 3.43Å; L96-H100 WeakPolarHBondContact O-CB 3.45Å; L96-H100 PolarHBondContact O-N 3.21Å; L96-H100 PolarHBondContact O-ND1 3.21Å; L97-H100 PolarHBondContact O-CE1 2.94Å; L97-H100 VanDerWaalsContact O-CE1 3.25Å; L97-H100 PolarHBondContact O-ND1 2.91Å; H100-R108 HydrophobicContact CB-CG 4.24Å; H100-L146 HydrophobicContact CB-CD1 4.46Å; H100-L146 HydrophobicContact CB-CD2 4.12Å
101K86.1Confident90.1Very high170 Ų17056 Ų5674%0.73929%0.287SS*.THydrogen-bonded Turntrans-88.1-23.1175.9-60.6-171.3178-177.30113.6Q99Q99-K101 PolarHBondContact O-N 3.41Å
102S85.1Confident90.3Very high94 Ų9454.3 Ų54.366%0.65728%0.276SS*.THydrogen-bonded Turntrans-94.8-19.9-175.157.70000113.6Q99Q99-S102 WeakPolarHBondContact CA-OG 3.46Å; Q99-S102 PolarHBondContact O-N 3.28Å; Q99-S102 PolarHBondContact O-OG 2.97Å
103V88.3Confident90.3Very high22 Ų2255.9 Ų55.913%0.13328%0.283CS..SBendtrans-98.1150.9-179.5-58.60000112M62 Q99 I107 R108M62-V103 HydrophobicContact CE-CG1 4.49Å; M62-V103 HydrophobicContact SD-CG1 4.27Å; Q99-V103 HydrophobicContact CB-CG1 4.22Å; Q99-V103 PolarHBondContact O-N 3.49Å; V103-I107 HydrophobicContact CB-CB 4.29Å; V103-I107 HydrophobicContact CB-CG2 4.17Å; V103-I107 HydrophobicContact CG2-CB 4.41Å; V103-I107 HydrophobicContact CG2-CG2 4.28Å; V103-R108 HydrophobicContact CG2-CB 3.99Å
104P89.7Confident90.5Very high37 Ų3754.5 Ų54.524%0.2427%0.274CS..  trans-57.5152.4174.3-23.632.3000113.3E59 F106 I107 R108E59-P104 HydrophobicContact CG-CG 4.12Å; E59-P104 VanDerWaalsContact OE1-CG 3.22Å; E59-P104 WeakPolarHBondContact OE1-CG 3.5Å; P104-F106 VanDerWaalsContact C-N 3.27Å; P104-F106 HydrophobicContact CB-CD1 3.83Å; P104-F106 HydrophobicContact CB-CE1 3.36Å; P104-F106 HydrophobicContact CB-CE2 4.42Å; P104-F106 HydrophobicContact CB-CZ 3.69Å; P104-F106 HydrophobicContact CG-CE1 4.14Å; P104-F106 HydrophobicContact CG-CZ 4.05Å; P104-F106 PolarHBondContact O-N 3.19Å; P104-I107 HydrophobicContact CB-CG1 4.33Å; P104-I107 HydrophobicContact CG-CG1 4.32Å; P104-I107 PolarHBondContact O-N 3.32Å; P104-I107 VanDerWaalsContact O-N 3.13Å; P104-R108 PolarHBondContact O-N 3.29Å
105Y88.1Confident90.6Very high159 Ų15947.9 Ų47.962%0.62425%0.245SC*.Hα-helixtrans-58.8-34.8-174.775.1-88.7000113.5R108 N109Y105-R108 PolarHBondContact O-N 3.31Å; Y105-N109 VanDerWaalsContact O-CB 3.3Å; Y105-N109 WeakPolarHBondContact O-CB 3.25Å; Y105-N109 PolarHBondContact O-N 2.89Å; Y105-N109 PolarHBondContact O-OD1 3.37Å; Y105-N109 VanDerWaalsContact O-OD1 3.12Å
106F89.8Confident90.8Very high75 Ų7547.1 Ų47.133%0.32924%0.241SC..Hα-helixtrans-71.5-35.5179.759.7-94.5000112.3E59 M63 P104 K110E59-F106 HydrophobicContact CB-CE2 4.47Å; E59-F106 HydrophobicContact CB-CZ 4.33Å; E59-F106 HydrophobicContact CG-CZ 4.46Å; M63-F106 HydrophobicContact CG-CD2 4.32Å; M63-F106 HydrophobicContact CG-CE2 4.26Å; M63-F106 HydrophobicContact SD-CD2 4.08Å; P104-F106 VanDerWaalsContact C-N 3.27Å; P104-F106 HydrophobicContact CB-CD1 3.83Å; P104-F106 HydrophobicContact CB-CE1 3.36Å; P104-F106 HydrophobicContact CB-CE2 4.42Å; P104-F106 HydrophobicContact CB-CZ 3.69Å; P104-F106 HydrophobicContact CG-CE1 4.14Å; P104-F106 HydrophobicContact CG-CZ 4.05Å; P104-F106 PolarHBondContact O-N 3.19Å; F106-K110 VanDerWaalsContact O-CB 3.29Å; F106-K110 WeakPolarHBondContact O-CB 3.44Å; F106-K110 PolarHBondContact O-N 3.24Å
107I92.3Very high90.8Very high5 Ų546.9 Ų46.93%0.02624%0.239CC..Hα-helixtrans-65-49.9171.2-58.1-58000110M62 M63 L66 V103 P104 N109 K110 L111M62-I107 HydrophobicContact CB-CD1 3.84Å; M62-I107 HydrophobicContact CB-CG1 4.43Å; M62-I107 HydrophobicContact CB-CG2 4.15Å; M62-I107 HydrophobicContact SD-CG1 4.45Å; M62-I107 HydrophobicContact SD-CG2 4.11Å; M63-I107 HydrophobicContact CB-CD1 4.33Å; M63-I107 HydrophobicContact CG-CD1 3.37Å; M63-I107 HydrophobicContact SD-CD1 3.53Å; M63-I107 VanDerWaalsContact SD-CD1 3.53Å; L66-I107 HydrophobicContact CD1-CG2 3.86Å; L66-I107 WeakPolarHBondContact CD1-O 3.45Å; V103-I107 HydrophobicContact CB-CB 4.29Å; V103-I107 HydrophobicContact CB-CG2 4.17Å; V103-I107 HydrophobicContact CG2-CB 4.41Å; V103-I107 HydrophobicContact CG2-CG2 4.28Å; P104-I107 HydrophobicContact CB-CG1 4.33Å; P104-I107 HydrophobicContact CG-CG1 4.32Å; P104-I107 PolarHBondContact O-N 3.32Å; P104-I107 VanDerWaalsContact O-N 3.13Å; I107-N109 PolarHBondContact O-N 3.09Å; I107-K110 PolarHBondContact O-N 2.84Å; I107-L111 PolarHBondContact O-N 3.24Å
108R93.1Very high90.9Very high49 Ų4943.1 Ų43.119%0.18522%0.22CC..Hα-helixtrans-55.7-50.4178.6-177.7-163.568.3-162.6-1.9111.1L96 H100 V103 P104 Y105 K110 L111 C112 L146L96-R108 HydrophobicContact CD1-CG 4.08Å; H100-R108 HydrophobicContact CB-CG 4.24Å; V103-R108 HydrophobicContact CG2-CB 3.99Å; P104-R108 PolarHBondContact O-N 3.29Å; Y105-R108 PolarHBondContact O-N 3.31Å; R108-K110 VanDerWaalsContact C-N 3.32Å; R108-K110 PolarHBondContact O-N 3.17Å; R108-L111 PolarHBondContact O-N 3.21Å; R108-C112 PolarHBondContact O-N 3.14Å; R108-C112 PolarHBondContact O-SG 2.91Å; R108-C112 VanDerWaalsContact O-SG 3.36Å; R108-L146 HydrophobicContact CG-CD1 4.09Å
109N93.1Very high91Very high53 Ų5339.3 Ų39.328%0.28319%0.188SC..Hα-helixtrans-65-36.6-179.5-69.17.8000111.4Y105 I107 C112 K113Y105-N109 VanDerWaalsContact O-CB 3.3Å; Y105-N109 WeakPolarHBondContact O-CB 3.25Å; Y105-N109 PolarHBondContact O-N 2.89Å; Y105-N109 PolarHBondContact O-OD1 3.37Å; Y105-N109 VanDerWaalsContact O-OD1 3.12Å; I107-N109 PolarHBondContact O-N 3.09Å; N109-C112 WeakPolarHBondContact O-CB 3.47Å; N109-C112 PolarHBondContact O-N 3.02Å; N109-K113 WeakPolarHBondContact O-CB 3.47Å; N109-K113 PolarHBondContact O-N 3.47Å
110K93.9Very high91.2Very high37 Ų3737.1 Ų37.116%0.16118%0.178CC..Hα-helixtrans-64.6-40.9173.9-17468172.7-172.20112M63 L66 E70 F106 I107 R108 K113 V114M63-K110 HydrophobicContact CE-CD 4.42Å; M63-K110 HydrophobicContact CE-CG 4.23Å; M63-K110 HydrophobicContact SD-CB 4.16Å; M63-K110 HydrophobicContact SD-CG 4.17Å; L66-K110 HydrophobicContact CB-CG 3.75Å; L66-K110 HydrophobicContact CD1-CB 3.86Å; L66-K110 HydrophobicContact CD1-CG 3.84Å; L66-K110 HydrophobicContact CG-CG 4.42Å; E70-K110 IonicContact OE1-NZ 3.4Å; E70-K110 PolarHBondContact OE1-NZ 2.95Å; E70-K110 WeakPolarHBondContact OE2-CE 3.3Å; E70-K110 IonicContact OE2-NZ 2.83Å; E70-K110 PolarHBondContact OE2-NZ 2.84Å; F106-K110 VanDerWaalsContact O-CB 3.29Å; F106-K110 WeakPolarHBondContact O-CB 3.44Å; F106-K110 PolarHBondContact O-N 3.24Å; I107-K110 PolarHBondContact O-N 2.84Å; R108-K110 VanDerWaalsContact C-N 3.32Å; R108-K110 PolarHBondContact O-N 3.17Å; K110-K113 WeakPolarHBondContact O-CB 3.41Å; K110-K113 PolarHBondContact O-N 2.86Å; K110-V114 WeakPolarHBondContact O-CG2 3.4Å; K110-V114 PolarHBondContact O-N 3.49Å
111L93.9Very high91.3Very high11 Ų1137.2 Ų37.26%0.05818%0.178CC..Hα-helixtrans-65.1-42.5174.2177.257.5000111.8L66 L92 L95 L96 I107 R108 K113 V114 I115L66-L111 HydrophobicContact CD1-CB 4.15Å; L66-L111 HydrophobicContact CD2-CB 3.94Å; L66-L111 HydrophobicContact CD2-CD1 3.73Å; L66-L111 HydrophobicContact CD2-CG 4.37Å; L92-L111 HydrophobicContact CB-CD1 4.25Å; L92-L111 HydrophobicContact CD2-CD1 4.08Å; L95-L111 HydrophobicContact CD2-CD2 4.41Å; L96-L111 HydrophobicContact CB-CD2 3.78Å; L96-L111 HydrophobicContact CB-CG 4.22Å; L96-L111 HydrophobicContact CD1-CB 4.42Å; L96-L111 HydrophobicContact CD1-CD2 3.81Å; L96-L111 HydrophobicContact CD1-CG 4.05Å; L96-L111 HydrophobicContact CG-CD2 4.41Å; I107-L111 PolarHBondContact O-N 3.24Å; R108-L111 PolarHBondContact O-N 3.21Å; L111-K113 VanDerWaalsContact C-N 3.3Å; L111-K113 PolarHBondContact O-N 3.05Å; L111-V114 PolarHBondContact O-N 3.4Å; L111-I115 HydrophobicContact CD1-CD1 4.22Å; L111-I115 HydrophobicContact CD1-CG1 4.48Å; L111-I115 HydrophobicContact CG-CD1 4.23Å; L111-I115 WeakPolarHBondContact O-CG1 3.47Å; L111-I115 PolarHBondContact O-N 3.38Å; L111-I115 VanDerWaalsContact O-N 3.08Å
112C94.1Very high91.5Very high0 Ų029.7 Ų29.70%015%0.147CC..Hα-helixtrans-55.4-47170.9-69.80000111R108 N109 V114 I115 V116 V149 M150R108-C112 PolarHBondContact O-N 3.14Å; R108-C112 PolarHBondContact O-SG 2.91Å; R108-C112 VanDerWaalsContact O-SG 3.36Å; N109-C112 WeakPolarHBondContact O-CB 3.47Å; N109-C112 PolarHBondContact O-N 3.02Å; C112-V114 PolarHBondContact O-N 3.25Å; C112-I115 PolarHBondContact O-N 3.07Å; C112-V116 WeakPolarHBondContact O-CG2 3.3Å; C112-V116 PolarHBondContact O-N 3.25Å; C112-V149 HydrophobicContact CB-CG1 4.47Å; C112-M150 HydrophobicContact CB-CG 4.04Å
113K93.4Very high91.8Very high34 Ų3426 Ų2615%0.14812%0.118CC..Hα-helixtrans-57.9-48.4177.4-170.7-169.9178.3-165.70112.3E70 N109 K110 L111 I115 V116 D117 T153 E157E70-K113 WeakPolarHBondContact OE1-CE 3.28Å; E70-K113 IonicContact OE1-NZ 2.74Å; E70-K113 PolarHBondContact OE1-NZ 3.24Å; N109-K113 WeakPolarHBondContact O-CB 3.47Å; N109-K113 PolarHBondContact O-N 3.47Å; K110-K113 WeakPolarHBondContact O-CB 3.41Å; K110-K113 PolarHBondContact O-N 2.86Å; L111-K113 VanDerWaalsContact C-N 3.3Å; L111-K113 PolarHBondContact O-N 3.05Å; K113-I115 VanDerWaalsContact C-N 3.28Å; K113-I115 PolarHBondContact O-N 3.4Å; K113-V116 CarbonylContact O-C 3.59Å; K113-V116 WeakPolarHBondContact O-CA 3.36Å; K113-V116 WeakPolarHBondContact O-CB 3.37Å; K113-V116 PolarHBondContact O-N 3.42Å; K113-V116 VanDerWaalsContact O-N 3.07Å; K113-D117 PolarHBondContact O-N 3.27Å; K113-T153 HydrophobicContact CB-CG2 4Å; K113-T153 HydrophobicContact CG-CG2 3.98Å; K113-E157 WeakPolarHBondContact CE-OE1 3.47Å; K113-E157 IonicContact NZ-OE1 3.96Å
114V94.1Very high91.7Very high0 Ų026.4 Ų26.40%012%0.122CC..Hα-helixtrans-58-40.9177.2171.30000111.6F69 E70 L92 K110 L111 C112 D117 I118F69-V114 HydrophobicContact CB-CG1 3.68Å; F69-V114 HydrophobicContact CB-CG2 4.35Å; E70-V114 HydrophobicContact CB-CG2 4.06Å; L92-V114 HydrophobicContact CD1-CG1 3.78Å; K110-V114 WeakPolarHBondContact O-CG2 3.4Å; K110-V114 PolarHBondContact O-N 3.49Å; L111-V114 PolarHBondContact O-N 3.4Å; C112-V114 PolarHBondContact O-N 3.25Å; V114-D117 PolarHBondContact O-N 3.02Å; V114-I118 WeakPolarHBondContact O-CG1 3.32Å; V114-I118 PolarHBondContact O-N 3.43Å; V114-I118 VanDerWaalsContact O-N 3.11Å
115I94.6Very high91.6Very high2 Ų230.7 Ų30.71%0.0114%0.14CC..Hα-helixtrans-66-39.9176.8-65.8163.1000111.1L92 P93 L96 L111 C112 K113 I118 G119 F130 M150L92-I115 HydrophobicContact CB-CD1 4.3Å; L92-I115 HydrophobicContact CB-CG1 3.97Å; P93-I115 HydrophobicContact CG-CD1 4.36Å; P93-I115 HydrophobicContact CG-CG2 4.33Å; L96-I115 HydrophobicContact CB-CD1 4.05Å; L96-I115 HydrophobicContact CD2-CD1 3.77Å; L96-I115 HydrophobicContact CG-CD1 4.5Å; L111-I115 HydrophobicContact CD1-CD1 4.22Å; L111-I115 HydrophobicContact CD1-CG1 4.48Å; L111-I115 HydrophobicContact CG-CD1 4.23Å; L111-I115 WeakPolarHBondContact O-CG1 3.47Å; L111-I115 PolarHBondContact O-N 3.38Å; L111-I115 VanDerWaalsContact O-N 3.08Å; C112-I115 PolarHBondContact O-N 3.07Å; K113-I115 VanDerWaalsContact C-N 3.28Å; K113-I115 PolarHBondContact O-N 3.4Å; I115-I118 WeakPolarHBondContact O-CB 3.16Å; I115-I118 PolarHBondContact O-N 3.21Å; I115-G119 PolarHBondContact O-N 3.46Å; I115-F130 HydrophobicContact CG2-CE2 4.3Å; I115-M150 HydrophobicContact CG2-CE 3.91Å
116V93.8Very high91.5Very high0 Ų029.7 Ų29.70%014%0.139CC..Hα-helixtrans-64.5-42.1174.5171.10000111.3C112 K113 I118 G119 R120 F130 T153 T154 E157 L158C112-V116 WeakPolarHBondContact O-CG2 3.3Å; C112-V116 PolarHBondContact O-N 3.25Å; K113-V116 CarbonylContact O-C 3.59Å; K113-V116 WeakPolarHBondContact O-CA 3.36Å; K113-V116 WeakPolarHBondContact O-CB 3.37Å; K113-V116 PolarHBondContact O-N 3.42Å; K113-V116 VanDerWaalsContact O-N 3.07Å; V116-I118 PolarHBondContact O-N 2.91Å; V116-G119 CarbonylContact O-C 3.58Å; V116-G119 WeakPolarHBondContact O-CA 3.42Å; V116-G119 PolarHBondContact O-N 2.99Å; V116-R120 WeakPolarHBondContact O-CB 3.47Å; V116-R120 PolarHBondContact O-N 3.42Å; V116-F130 HydrophobicContact CB-CZ 4.39Å; V116-F130 HydrophobicContact CG1-CZ 4.5Å; V116-F130 HydrophobicContact CG2-CE2 4.43Å; V116-F130 HydrophobicContact CG2-CZ 4.12Å; V116-T153 HydrophobicContact CB-CG2 4.14Å; V116-T153 HydrophobicContact CG1-CG2 4.23Å; V116-T153 HydrophobicContact CG2-CG2 4.08Å; V116-T154 WeakPolarHBondContact CG2-OG1 3.36Å; V116-E157 HydrophobicContact CG1-CB 3.94Å; V116-E157 HydrophobicContact CG1-CG 4.39Å; V116-L158 HydrophobicContact CG1-CD1 3.68Å
117D91.6Very high91.4Very high0 Ų027.3 Ų27.30%013%0.128CC..Hα-helixtrans-59.6-35175.5-71.4-8.8000111V73 N74 K113 V114 R120 Q121V73-D117 HydrophobicContact CB-CB 4.47Å; V73-D117 VanDerWaalsContact CG1-C 3.48Å; V73-D117 HydrophobicContact CG1-CB 3.73Å; V73-D117 WeakPolarHBondContact CG1-O 3.35Å; N74-D117 PolarHBondContact ND2-OD2 2.9Å; K113-D117 PolarHBondContact O-N 3.27Å; V114-D117 PolarHBondContact O-N 3.02Å; D117-R120 VanDerWaalsContact O-CB 3.32Å; D117-R120 WeakPolarHBondContact O-CB 3.46Å; D117-R120 PolarHBondContact O-N 2.89Å; D117-Q121 WeakPolarHBondContact O-CG 3.34Å; D117-Q121 PolarHBondContact O-N 3.35Å
118I92.3Very high91.3Very high2 Ų232.6 Ų32.61%0.0115%0.152CC..Hα-helixtrans-68.3-43.8172.4-62.1163.6000110.6V73 W77 I88 R89 L92 V114 I115 V116 R120 Q121 D122 Y127V73-I118 HydrophobicContact CB-CG1 4.38Å; V73-I118 HydrophobicContact CG1-CB 4.47Å; V73-I118 HydrophobicContact CG1-CG1 3.84Å; V73-I118 HydrophobicContact CG2-CD1 4.18Å; V73-I118 HydrophobicContact CG2-CG1 3.54Å; W77-I118 HydrophobicContact CH2-CD1 4.27Å; W77-I118 HydrophobicContact CH2-CG1 3.99Å; W77-I118 HydrophobicContact CH2-CG2 3.82Å; W77-I118 HydrophobicContact CZ2-CG1 4.38Å; W77-I118 HydrophobicContact CZ2-CG2 3.53Å; W77-I118 HydrophobicContact CZ3-CG1 4.28Å; I88-I118 HydrophobicContact CG2-CD1 3.83Å; R89-I118 HydrophobicContact CG-CG2 3.5Å; L92-I118 HydrophobicContact CD1-CD1 3.97Å; V114-I118 WeakPolarHBondContact O-CG1 3.32Å; V114-I118 PolarHBondContact O-N 3.43Å; V114-I118 VanDerWaalsContact O-N 3.11Å; I115-I118 WeakPolarHBondContact O-CB 3.16Å; I115-I118 PolarHBondContact O-N 3.21Å; V116-I118 PolarHBondContact O-N 2.91Å; I118-R120 VanDerWaalsContact C-N 3.28Å; I118-R120 PolarHBondContact O-N 3.47Å; I118-Q121 PolarHBondContact O-N 3.39Å; I118-Q121 VanDerWaalsContact O-N 3.13Å; I118-D122 PolarHBondContact O-N 3.36Å; I118-Y127 HydrophobicContact CG2-CD1 4.13Å; I118-Y127 HydrophobicContact CG2-CE1 4.47Å
119G91.3Very high91.1Very high0 Ų035.1 Ų35.10%017%0.169CC..Hα-helixtrans-56.7-42.717300000112.1I115 V116 Q121 D122 W123I115-G119 PolarHBondContact O-N 3.46Å; V116-G119 CarbonylContact O-C 3.58Å; V116-G119 WeakPolarHBondContact O-CA 3.42Å; V116-G119 PolarHBondContact O-N 2.99Å; G119-Q121 PolarHBondContact O-N 3.47Å; G119-D122 PolarHBondContact O-N 3.47Å; G119-W123 WeakPolarHBondContact O-CB 3.42Å; G119-W123 PolarHBondContact O-N 3.36Å
120R90.7Very high91.1Very high1 Ų132.6 Ų32.60%0.00416%0.156CC..Hα-helixtrans-55.1-36.7175.6-168177.469.5153.115.8112.1N74 V116 D117 I118 E157 L158 D164 L165 R169 L173N74-R120 PolarHBondContact OD1-NH2 3.45Å; V116-R120 WeakPolarHBondContact O-CB 3.47Å; V116-R120 PolarHBondContact O-N 3.42Å; D117-R120 VanDerWaalsContact O-CB 3.32Å; D117-R120 WeakPolarHBondContact O-CB 3.46Å; D117-R120 PolarHBondContact O-N 2.89Å; I118-R120 VanDerWaalsContact C-N 3.28Å; I118-R120 PolarHBondContact O-N 3.47Å; R120-E157 VanDerWaalsContact CD-O 3.3Å; R120-E157 WeakPolarHBondContact CD-O 3.31Å; R120-E157 IonicContact CZ-OE2 2.64Å; R120-E157 IonicContact NH1-OE2 3.93Å; R120-E157 PolarHBondContact NH1-OE2 3.05Å; R120-L158 HydrophobicContact CB-CD1 3.71Å; R120-L158 HydrophobicContact CB-CG 4.21Å; R120-L158 HydrophobicContact CG-CD1 4.04Å; R120-L158 HydrophobicContact CG-CG 4.26Å; R120-D164 IonicContact CZ-OD1 3.16Å; R120-D164 IonicContact CZ-OD2 3.4Å; R120-D164 IonicContact NH1-OD1 3.73Å; R120-D164 PolarHBondContact NH1-OD1 3.41Å; R120-D164 IonicContact NH1-OD2 2.62Å; R120-D164 PolarHBondContact NH1-OD2 3.47Å; R120-D164 IonicContact NH2-OD1 3.01Å; R120-D164 IonicContact NH2-OD2 2.69Å; R120-D164 PolarHBondContact NH2-OD2 3.03Å; R120-L165 HydrophobicContact CG-CD1 3.64Å; R120-R169 PolarHBondContact O-NE 3.34Å; R120-R169 VanDerWaalsContact O-NE 3.09Å; R120-R169 PolarHBondContact O-NH2 3.43Å; R120-L173 HydrophobicContact CG-CD1 3.97Å
121Q87.9Confident91Very high30 Ų3031.1 Ų31.114%0.1415%0.149CC..Hα-helixtrans-84.4-42.4177.4-61.1-64.3-6.400113.7V73 W77 D117 I118 G119 R169V73-Q121 HydrophobicContact CG1-CG 4.33Å; W77-Q121 HydrophobicContact CG-CB 4.41Å; W77-Q121 HydrophobicContact CG-CG 4.34Å; D117-Q121 WeakPolarHBondContact O-CG 3.34Å; D117-Q121 PolarHBondContact O-N 3.35Å; I118-Q121 PolarHBondContact O-N 3.39Å; I118-Q121 VanDerWaalsContact O-N 3.13Å; G119-Q121 PolarHBondContact O-N 3.47Å; Q121-R169 PolarHBondContact O-NH2 3.44Å; Q121-R169 VanDerWaalsContact O-NH2 3.16Å
122D90.4Very high90.9Very high13 Ų1333.9 Ų33.97%0.0717%0.167CC..Hα-helixtrans-109.9-12.9-163.7-81.58.3000115.2W77 R89 I118 G119 P124 M125 F126 Y127W77-D122 WeakPolarHBondContact CZ2-OD2 3.32Å; W77-D122 VanDerWaalsContact NE1-CG 3.35Å; W77-D122 PolarHBondContact NE1-OD1 3.12Å; W77-D122 PolarHBondContact NE1-OD2 3.49Å; R89-D122 WeakPolarHBondContact CD-OD2 3.37Å; R89-D122 IonicContact NE-OD2 2.74Å; R89-D122 PolarHBondContact NE-OD2 3.39Å; I118-D122 PolarHBondContact O-N 3.36Å; G119-D122 PolarHBondContact O-N 3.47Å; D122-P124 CarbonylContact O-C 3.59Å; D122-M125 PolarHBondContact O-N 2.87Å; D122-F126 HydrophobicContact CB-CB 3.87Å; D122-F126 PolarHBondContact O-N 2.88Å; D122-Y127 PolarHBondContact O-N 3.1Å
123W91.9Very high90.8Very high15 Ų1536.9 Ų36.96%0.05718%0.183CC..THydrogen-bonded Turntrans-80.4133.7-179.2177.267.4000111.8G119 F130 F131 L158 R169 L173 L176 L177G119-W123 WeakPolarHBondContact O-CB 3.42Å; G119-W123 PolarHBondContact O-N 3.36Å; W123-F130 HydrophobicContact CB-CB 4.5Å; W123-F130 HydrophobicContact CB-CD1 4.11Å; W123-F130 HydrophobicContact CD2-CD1 4.41Å; W123-F130 HydrophobicContact CG-CB 4.47Å; W123-F130 HydrophobicContact CG-CD1 4.01Å; W123-F131 HydrophobicContact CH2-CD2 4.27Å; W123-F131 HydrophobicContact CH2-CG 4.44Å; W123-F131 HydrophobicContact CZ2-CB 3.76Å; W123-F131 HydrophobicContact CZ2-CD2 4.22Å; W123-F131 AromaticContact CZ2-CG 3.97Å; W123-F131 HydrophobicContact CZ2-CG 3.97Å; W123-L158 HydrophobicContact CE3-CD2 3.81Å; W123-L158 HydrophobicContact CZ3-CD2 3.99Å; W123-R169 VanDerWaalsContact O-CZ 3.23Å; W123-R169 PolarHBondContact O-NH1 3.23Å; W123-R169 PolarHBondContact O-NH2 2.93Å; W123-L173 HydrophobicContact CE3-CD2 3.94Å; W123-L173 HydrophobicContact CZ3-CD2 4.37Å; W123-L176 HydrophobicContact CE3-CB 4.47Å; W123-L176 HydrophobicContact CE3-CD1 4.26Å; W123-L176 HydrophobicContact CH2-CB 3.48Å; W123-L176 VanDerWaalsContact CH2-CB 3.48Å; W123-L176 HydrophobicContact CZ2-CB 4.23Å; W123-L176 HydrophobicContact CZ3-CB 3.61Å; W123-L176 HydrophobicContact CZ3-CD1 4.17Å; W123-L177 HydrophobicContact CH2-CD2 4.18Å; W123-L177 HydrophobicContact CZ3-CD2 4.11Å; W123-L177 HydrophobicContact CZ3-CG 4.26Å
124P86.4Confident90.8Very high32 Ų3235.3 Ų35.321%0.20818%0.176CC..THydrogen-bonded Turncis-94.1-17.33.235-30.7000113.4D122 F126 Y127 H128 L176D122-P124 CarbonylContact O-C 3.59Å; P124-F126 PolarHBondContact O-N 2.99Å; P124-Y127 CarbonylContact O-C 3.53Å; P124-H128 WeakPolarHBondContact O-CA 3.45Å; P124-H128 PolarHBondContact O-CD2 3.35Å; P124-H128 PolarHBondContact O-N 3.2Å; P124-H128 VanDerWaalsContact O-N 3.13Å; P124-H128 PolarHBondContact O-NE2 3.31Å; P124-L176 HydrophobicContact CG-CD1 4.1Å; P124-L176 HydrophobicContact CG-CD2 4.41Å
125M86.5Confident90.7Very high126 Ų12636.3 Ų36.362%0.62118%0.181SC*.THydrogen-bonded Turntrans-65.8-36.1-164.5-67.4-62.4-70.500115.5D122 H128D122-M125 PolarHBondContact O-N 2.87Å; M125-H128 PolarHBondContact O-CE1 3.39Å; M125-H128 PolarHBondContact O-NE2 3.41Å
126F85.6Confident90.6Very high138 Ų13840.9 Ų40.961%0.60520%0.203SC*.THydrogen-bonded Turntrans-110.4-23.6-179.6-62.8-68.3000111.6R89 D122 P124R89-F126 PolarHBondContact NH1-O 2.86Å; D122-F126 HydrophobicContact CB-CB 3.87Å; D122-F126 PolarHBondContact O-N 2.88Å; P124-F126 PolarHBondContact O-N 2.99Å
127Y89.3Confident90.5Very high26 Ų2642.1 Ų42.110%0.10221%0.209CC..  trans-12463.3177.3-161.8-179.9000112.2R89 P93 I118 D122 P124 D129 F130R89-Y127 HydrophobicContact CG-CD1 4.38Å; P93-Y127 WeakPolarHBondContact CG-OH 3.17Å; I118-Y127 HydrophobicContact CG2-CD1 4.13Å; I118-Y127 HydrophobicContact CG2-CE1 4.47Å; D122-Y127 PolarHBondContact O-N 3.1Å; P124-Y127 CarbonylContact O-C 3.53Å; Y127-D129 PolarHBondContact O-N 2.62Å; Y127-F130 HydrophobicContact CD1-CB 3.78Å; Y127-F130 HydrophobicContact CD1-CD2 4.14Å; Y127-F130 HydrophobicContact CD1-CG 4.21Å; Y127-F130 HydrophobicContact CD2-CB 3.83Å; Y127-F130 HydrophobicContact CE1-CB 3.95Å; Y127-F130 AromaticContact CE1-CD2 3.7Å; Y127-F130 HydrophobicContact CE1-CD2 3.7Å; Y127-F130 HydrophobicContact CE1-CG 4.19Å; Y127-F130 HydrophobicContact CE2-CB 3.99Å; Y127-F130 HydrophobicContact CG-CB 3.72Å; Y127-F130 WeakPolarHBondContact O-CB 3.44Å; Y127-F130 PolarHBondContact O-N 2.88Å
128H88.4Confident90.6Very high116 Ų11642.5 Ų42.554%0.53721%0.211SC..THydrogen-bonded Turntrans-52.7-46.1-174.4-57.790000114.1P124 M125 F130P124-H128 WeakPolarHBondContact O-CA 3.45Å; P124-H128 PolarHBondContact O-CD2 3.35Å; P124-H128 PolarHBondContact O-N 3.2Å; P124-H128 VanDerWaalsContact O-N 3.13Å; P124-H128 PolarHBondContact O-NE2 3.31Å; M125-H128 PolarHBondContact O-CE1 3.39Å; M125-H128 PolarHBondContact O-NE2 3.41Å; H128-F130 VanDerWaalsContact C-N 3.29Å; H128-F130 PolarHBondContact O-N 3.49Å
129D88.9Confident90.5Very high101 Ų10148.2 Ų48.254%0.5424%0.238SC..THydrogen-bonded Turntrans-82.2-1.3-173.2-55.7-47.6000113.9Y127 F131 T132 N133Y127-D129 PolarHBondContact O-N 2.62Å; D129-F131 PolarHBondContact O-N 3.23Å; D129-T132 PolarHBondContact O-N 2.94Å; D129-N133 VanDerWaalsContact O-CB 3.23Å; D129-N133 WeakPolarHBondContact O-CB 3.44Å; D129-N133 PolarHBondContact O-N 3.35Å; D129-N133 PolarHBondContact O-ND2 2.9Å
130F93.3Very high90.5Very high1 Ų151.2 Ų51.20%0.00426%0.256CS..Hα-helixtrans-52.3-56.7-174.3168.2-108.8000112.9I115 V116 W123 Y127 H128 T134 M150 T154 L158I115-F130 HydrophobicContact CG2-CE2 4.3Å; V116-F130 HydrophobicContact CB-CZ 4.39Å; V116-F130 HydrophobicContact CG1-CZ 4.5Å; V116-F130 HydrophobicContact CG2-CE2 4.43Å; V116-F130 HydrophobicContact CG2-CZ 4.12Å; W123-F130 HydrophobicContact CB-CB 4.5Å; W123-F130 HydrophobicContact CB-CD1 4.11Å; W123-F130 HydrophobicContact CD2-CD1 4.41Å; W123-F130 HydrophobicContact CG-CB 4.47Å; W123-F130 HydrophobicContact CG-CD1 4.01Å; Y127-F130 HydrophobicContact CD1-CB 3.78Å; Y127-F130 HydrophobicContact CD1-CD2 4.14Å; Y127-F130 HydrophobicContact CD1-CG 4.21Å; Y127-F130 HydrophobicContact CD2-CB 3.83Å; Y127-F130 HydrophobicContact CE1-CB 3.95Å; Y127-F130 AromaticContact CE1-CD2 3.7Å; Y127-F130 HydrophobicContact CE1-CD2 3.7Å; Y127-F130 HydrophobicContact CE1-CG 4.19Å; Y127-F130 HydrophobicContact CE2-CB 3.99Å; Y127-F130 HydrophobicContact CG-CB 3.72Å; Y127-F130 WeakPolarHBondContact O-CB 3.44Å; Y127-F130 PolarHBondContact O-N 2.88Å; H128-F130 VanDerWaalsContact C-N 3.29Å; H128-F130 PolarHBondContact O-N 3.49Å; F130-T134 PolarHBondContact O-N 3.05Å; F130-T134 PolarHBondContact O-OG1 2.9Å; F130-M150 HydrophobicContact CE2-CE 4.38Å; F130-T154 HydrophobicContact CE1-CG2 4Å; F130-T154 HydrophobicContact CZ-CG2 4.25Å; F130-L158 HydrophobicContact CE1-CD2 4.37Å
131F91.8Very high90.1Very high5 Ų556.7 Ų56.72%0.02229%0.292CS..Hα-helixtrans-72.7-39.3-175.8-159.9-92.7000111.5W123 D129 N133 T134 L135 L151 T154 L177 Q180 V184W123-F131 HydrophobicContact CH2-CD2 4.27Å; W123-F131 HydrophobicContact CH2-CG 4.44Å; W123-F131 HydrophobicContact CZ2-CB 3.76Å; W123-F131 HydrophobicContact CZ2-CD2 4.22Å; W123-F131 AromaticContact CZ2-CG 3.97Å; W123-F131 HydrophobicContact CZ2-CG 3.97Å; D129-F131 PolarHBondContact O-N 3.23Å; F131-N133 VanDerWaalsContact C-N 3.32Å; F131-N133 PolarHBondContact O-N 3.32Å; F131-T134 WeakPolarHBondContact O-CB 3.2Å; F131-T134 PolarHBondContact O-N 3.32Å; F131-T134 VanDerWaalsContact O-N 3.14Å; F131-L135 HydrophobicContact CD1-CD1 3.97Å; F131-L135 HydrophobicContact CD1-CD2 4.46Å; F131-L135 HydrophobicContact CD1-CG 4.02Å; F131-L135 HydrophobicContact CE1-CD1 3.9Å; F131-L135 HydrophobicContact CE1-CD2 3.87Å; F131-L135 HydrophobicContact CE1-CG 3.92Å; F131-L135 HydrophobicContact CZ-CD2 4.47Å; F131-L135 WeakPolarHBondContact O-CG 3.32Å; F131-L135 PolarHBondContact O-N 3.11Å; F131-L151 HydrophobicContact CZ-CD1 4.31Å; F131-T154 HydrophobicContact CD2-CG2 4.22Å; F131-T154 HydrophobicContact CE2-CG2 4.07Å; F131-L177 HydrophobicContact CD2-CD2 4.36Å; F131-L177 HydrophobicContact CE2-CD2 3.72Å; F131-L177 HydrophobicContact CZ-CD2 4.41Å; F131-Q180 HydrophobicContact CD1-CB 4.24Å; F131-Q180 HydrophobicContact CD1-CG 3.79Å; F131-Q180 HydrophobicContact CE1-CB 3.45Å; F131-Q180 VanDerWaalsContact CE1-CB 3.45Å; F131-Q180 HydrophobicContact CE1-CG 3.53Å; F131-Q180 HydrophobicContact CZ-CB 3.75Å; F131-Q180 HydrophobicContact CZ-CG 4.08Å; F131-V184 HydrophobicContact CE1-CG2 4.11Å; F131-V184 HydrophobicContact CZ-CG2 3.85Å
132T92.1Very high90.1Very high70 Ų7058.9 Ų58.943%0.42932%0.315SS..Hα-helixtrans-59.1-42.8175.5-49.30000111.6D129 L135 Q136D129-T132 PolarHBondContact O-N 2.94Å; T132-L135 PolarHBondContact O-N 3.39Å; T132-Q136 WeakPolarHBondContact O-CG 3.21Å; T132-Q136 PolarHBondContact O-N 3.14Å
133N92.1Very high90.1Very high63 Ų6360.1 Ų60.134%0.33732%0.321SS..Hα-helixtrans-62.4-43.1175.2-70.6-20.5000111.1D129 F131 L135 Q136 L137D129-N133 VanDerWaalsContact O-CB 3.23Å; D129-N133 WeakPolarHBondContact O-CB 3.44Å; D129-N133 PolarHBondContact O-N 3.35Å; D129-N133 PolarHBondContact O-ND2 2.9Å; F131-N133 VanDerWaalsContact C-N 3.32Å; F131-N133 PolarHBondContact O-N 3.32Å; N133-L135 VanDerWaalsContact C-N 3.32Å; N133-L135 PolarHBondContact O-N 3.25Å; N133-Q136 PolarHBondContact O-N 2.98Å; N133-L137 VanDerWaalsContact O-CG 3.32Å; N133-L137 WeakPolarHBondContact O-CG 3.22Å; N133-L137 PolarHBondContact O-N 3.46Å
134T93.1Very high90Very high0 Ų059.6 Ų59.60%032%0.32CS..Hα-helixtrans-58-44.3174.8-60.40000111.6F130 F131 L137 I138 M150 L151F130-T134 PolarHBondContact O-N 3.05Å; F130-T134 PolarHBondContact O-OG1 2.9Å; F131-T134 WeakPolarHBondContact O-CB 3.2Å; F131-T134 PolarHBondContact O-N 3.32Å; F131-T134 VanDerWaalsContact O-N 3.14Å; T134-L137 PolarHBondContact O-N 3.39Å; T134-I138 WeakPolarHBondContact O-CG1 3.49Å; T134-I138 PolarHBondContact O-N 3.38Å; T134-M150 HydrophobicContact CG2-CB 4.01Å; T134-L151 HydrophobicContact CG2-CB 4.11Å
135L92.7Very high90.1Very high21 Ų2160 Ų6011%0.1132%0.323CS..Hα-helixtrans-64.9-40.2176.1-61.8-177.5000112.5F131 T132 N133 L137 I138 Q139 T183 V184 L187F131-L135 HydrophobicContact CD1-CD1 3.97Å; F131-L135 HydrophobicContact CD1-CD2 4.46Å; F131-L135 HydrophobicContact CD1-CG 4.02Å; F131-L135 HydrophobicContact CE1-CD1 3.9Å; F131-L135 HydrophobicContact CE1-CD2 3.87Å; F131-L135 HydrophobicContact CE1-CG 3.92Å; F131-L135 HydrophobicContact CZ-CD2 4.47Å; F131-L135 WeakPolarHBondContact O-CG 3.32Å; F131-L135 PolarHBondContact O-N 3.11Å; T132-L135 PolarHBondContact O-N 3.39Å; N133-L135 VanDerWaalsContact C-N 3.32Å; N133-L135 PolarHBondContact O-N 3.25Å; L135-L137 VanDerWaalsContact C-N 3.34Å; L135-L137 PolarHBondContact O-N 3.44Å; L135-I138 WeakPolarHBondContact O-CB 3.44Å; L135-I138 PolarHBondContact O-N 3.3Å; L135-Q139 WeakPolarHBondContact O-CG 3.16Å; L135-Q139 PolarHBondContact O-N 3.3Å; L135-Q139 VanDerWaalsContact O-N 3.08Å; L135-T183 HydrophobicContact CD1-CG2 4.24Å; L135-V184 HydrophobicContact CD2-CG2 4.05Å; L135-L187 HydrophobicContact CB-CD1 4.46Å; L135-L187 HydrophobicContact CD2-CD1 3.87Å
136Q92.5Very high90.4Very high99 Ų9954.3 Ų54.346%0.46330%0.295SS..Hα-helixtrans-64.1-37176.6-73.6175.73.900112.6T132 N133 I138 Q139 T140T132-Q136 WeakPolarHBondContact O-CG 3.21Å; T132-Q136 PolarHBondContact O-N 3.14Å; N133-Q136 PolarHBondContact O-N 2.98Å; Q136-I138 VanDerWaalsContact C-N 3.31Å; Q136-I138 PolarHBondContact O-N 3.47Å; Q136-Q139 PolarHBondContact O-N 2.93Å; Q136-T140 PolarHBondContact O-N 3.47Å; Q136-T140 VanDerWaalsContact O-N 3.17Å; Q136-T140 PolarHBondContact O-OG1 2.97Å
137L92.3Very high90.7Very high25 Ų2547.7 Ų47.713%0.13127%0.266CS..Hα-helixtrans-61.9-40.4174.2-68.8175000111.3L97 N133 T134 L135 T140 L143 A144 M150L97-L137 HydrophobicContact CD2-CD2 3.88Å; N133-L137 VanDerWaalsContact O-CG 3.32Å; N133-L137 WeakPolarHBondContact O-CG 3.22Å; N133-L137 PolarHBondContact O-N 3.46Å; T134-L137 PolarHBondContact O-N 3.39Å; L135-L137 VanDerWaalsContact C-N 3.34Å; L135-L137 PolarHBondContact O-N 3.44Å; L137-T140 PolarHBondContact O-N 2.92Å; L137-L143 HydrophobicContact CD2-CB 4.12Å; L137-L143 HydrophobicContact CD2-CD1 3.72Å; L137-L143 HydrophobicContact CD2-CG 4.49Å; L137-L143 CarbonylContact O-C 3.57Å; L137-L143 VanDerWaalsContact O-C 3.27Å; L137-A144 WeakPolarHBondContact O-CA 3.45Å; L137-A144 PolarHBondContact O-N 3.34Å; L137-M150 HydrophobicContact CD1-SD 3.65Å
138I92.6Very high90.9Very high8 Ų846.5 Ų46.54%0.04126%0.261CS..Hα-helixtrans-65-41.1177-64.9168000111.3T134 L135 Q136 T140 A144 G147 L148 L151 I191T134-I138 WeakPolarHBondContact O-CG1 3.49Å; T134-I138 PolarHBondContact O-N 3.38Å; L135-I138 WeakPolarHBondContact O-CB 3.44Å; L135-I138 PolarHBondContact O-N 3.3Å; Q136-I138 VanDerWaalsContact C-N 3.31Å; Q136-I138 PolarHBondContact O-N 3.47Å; I138-T140 PolarHBondContact O-N 3.26Å; I138-A144 WeakPolarHBondContact O-CB 3.39Å; I138-G147 VanDerWaalsContact CG1-C 3.48Å; I138-L148 HydrophobicContact CD1-CD2 4.38Å; I138-L148 HydrophobicContact CG1-CD2 4.34Å; I138-L148 HydrophobicContact CG2-CD2 4.3Å; I138-L151 HydrophobicContact CD1-CB 3.96Å; I138-L151 HydrophobicContact CD1-CD2 3.72Å; I138-L151 HydrophobicContact CD1-CG 4.35Å; I138-I191 HydrophobicContact CG2-CD1 3.59Å
139Q90.4Very high91.1Very high122 Ų12241.4 Ų41.457%0.5724%0.239SC*.Hα-helixtrans-70.7-19.6-179.4-70.6174.3-18.500113.4L135 Q136 P141 L187L135-Q139 WeakPolarHBondContact O-CG 3.16Å; L135-Q139 PolarHBondContact O-N 3.3Å; L135-Q139 VanDerWaalsContact O-N 3.08Å; Q136-Q139 PolarHBondContact O-N 2.93Å; Q139-P141 WeakPolarHBondContact O-CD 3.4Å; Q139-L187 HydrophobicContact CG-CD2 3.9Å
140T90.8Very high91.4Very high64 Ų6437.1 Ų37.139%0.39322%0.215SC..SBendtrans-89.5112.5179.3-57.40000110.1Q136 L137 I138 A142 L143 A144Q136-T140 PolarHBondContact O-N 3.47Å; Q136-T140 VanDerWaalsContact O-N 3.17Å; Q136-T140 PolarHBondContact O-OG1 2.97Å; L137-T140 PolarHBondContact O-N 2.92Å; I138-T140 PolarHBondContact O-N 3.26Å; T140-A142 VanDerWaalsContact C-N 3.32Å; T140-A142 PolarHBondContact O-N 2.76Å; T140-A142 VanDerWaalsContact O-N 3.11Å; T140-L143 HydrophobicContact CG2-CB 4.34Å; T140-L143 HydrophobicContact CG2-CD1 4.22Å; T140-L143 HydrophobicContact CG2-CG 4.26Å; T140-L143 CarbonylContact O-C 3.6Å; T140-L143 PolarHBondContact O-N 3.26Å; T140-A144 PolarHBondContact O-N 3.43Å
141P84.1Confident91.4Very high116 Ų11637.4 Ų37.475%0.75322%0.217SC*.THydrogen-bonded Turntrans-54-41.7-169.5-28.835.1000114.9Q139 L143 A144Q139-P141 WeakPolarHBondContact O-CD 3.4Å; P141-L143 VanDerWaalsContact C-N 3.28Å; P141-L143 PolarHBondContact O-N 3.4Å; P141-A144 PolarHBondContact O-N 3.45Å
142A86.4Confident91.5Very high75 Ų7539.6 Ų39.662%0.6223%0.226SC*.THydrogen-bonded Turntrans-71.3-19.5-179.400000114.2T140T140-A142 VanDerWaalsContact C-N 3.32Å; T140-A142 PolarHBondContact O-N 2.76Å; T140-A142 VanDerWaalsContact O-N 3.11Å
143L90.1Very high91.6Very high39 Ų3937 Ų3720%0.20421%0.21CC..THydrogen-bonded Turntrans-111.6-3.7-178.9-61.1176000112.4L97 L137 T140 P141 L146 G147L97-L143 HydrophobicContact CD2-CD1 4.29Å; L137-L143 HydrophobicContact CD2-CB 4.12Å; L137-L143 HydrophobicContact CD2-CD1 3.72Å; L137-L143 HydrophobicContact CD2-CG 4.49Å; L137-L143 CarbonylContact O-C 3.57Å; L137-L143 VanDerWaalsContact O-C 3.27Å; T140-L143 HydrophobicContact CG2-CB 4.34Å; T140-L143 HydrophobicContact CG2-CD1 4.22Å; T140-L143 HydrophobicContact CG2-CG 4.26Å; T140-L143 CarbonylContact O-C 3.6Å; T140-L143 PolarHBondContact O-N 3.26Å; P141-L143 VanDerWaalsContact C-N 3.28Å; P141-L143 PolarHBondContact O-N 3.4Å; L143-L146 WeakPolarHBondContact O-CA 3.47Å; L143-L146 WeakPolarHBondContact O-CB 3.49Å; L143-L146 PolarHBondContact O-N 3.14Å; L143-G147 PolarHBondContact O-N 2.78Å
144A89.7Confident91.6Very high4 Ų434 Ų343%0.03320%0.195CC..Hα-helixtrans-55.1-42.9-176.400000113.7L137 I138 T140 P141 L146 G147 L148 L246L137-A144 WeakPolarHBondContact O-CA 3.45Å; L137-A144 PolarHBondContact O-N 3.34Å; I138-A144 WeakPolarHBondContact O-CB 3.39Å; T140-A144 PolarHBondContact O-N 3.43Å; P141-A144 PolarHBondContact O-N 3.45Å; A144-L146 VanDerWaalsContact C-N 3.29Å; A144-L146 PolarHBondContact O-N 3.21Å; A144-G147 PolarHBondContact O-N 2.9Å; A144-L148 WeakPolarHBondContact O-CG 3.24Å; A144-L148 PolarHBondContact O-N 3.43Å; A144-L246 HydrophobicContact CB-CD1 3.85Å
145P90.1Very high91.6Very high41 Ų4134.3 Ų34.327%0.26620%0.196SC..Hα-helixtrans-60.1-38.5175.3-23.533.8000113V149 L246 L249P145-V149 WeakPolarHBondContact O-CG2 3.4Å; P145-V149 PolarHBondContact O-N 2.83Å; P145-V149 VanDerWaalsContact O-N 3.13Å; P145-L246 HydrophobicContact CG-CD1 3.93Å; P145-L249 HydrophobicContact CB-CD1 3.93Å
146L91.4Very high91.5Very high6 Ų636.7 Ų36.73%0.03121%0.207CC..Hα-helixtrans-68.9-42.9177.2179.965.8000111.1L96 L97 H100 R108 L143 A144 L148 V149 M150L96-L146 HydrophobicContact CD1-CD1 4.11Å; L96-L146 HydrophobicContact CD2-CD1 4.23Å; L96-L146 HydrophobicContact CD2-CD2 4.31Å; L96-L146 HydrophobicContact CG-CD1 4.35Å; L96-L146 HydrophobicContact CG-CD2 4.21Å; L97-L146 HydrophobicContact CD2-CD2 4.3Å; H100-L146 HydrophobicContact CB-CD1 4.46Å; H100-L146 HydrophobicContact CB-CD2 4.12Å; R108-L146 HydrophobicContact CG-CD1 4.09Å; L143-L146 WeakPolarHBondContact O-CA 3.47Å; L143-L146 WeakPolarHBondContact O-CB 3.49Å; L143-L146 PolarHBondContact O-N 3.14Å; A144-L146 VanDerWaalsContact C-N 3.29Å; A144-L146 PolarHBondContact O-N 3.21Å; L146-L148 PolarHBondContact O-N 2.98Å; L146-V149 PolarHBondContact O-N 3.35Å; L146-M150 PolarHBondContact O-N 3Å
147G93.1Very high91.3Very high0 Ų032.7 Ų32.70%019%0.188CC..Hα-helixtrans-60.8-40.9175.600000112.9I138 L143 A144 M150 L151I138-G147 VanDerWaalsContact CG1-C 3.48Å; L143-G147 PolarHBondContact O-N 2.78Å; A144-G147 PolarHBondContact O-N 2.9Å; G147-M150 PolarHBondContact O-N 3.38Å; G147-L151 WeakPolarHBondContact O-CB 3.33Å; G147-L151 PolarHBondContact O-N 3.42Å
148L93.2Very high91.2Very high0 Ų031.5 Ų31.50%018%0.182CC..Hα-helixtrans-67.2-40.7176.4-69.8173000112.4I138 A144 L146 M150 L151 K152 L188 I191 L246 L249 V250 C253I138-L148 HydrophobicContact CD1-CD2 4.38Å; I138-L148 HydrophobicContact CG1-CD2 4.34Å; I138-L148 HydrophobicContact CG2-CD2 4.3Å; A144-L148 WeakPolarHBondContact O-CG 3.24Å; A144-L148 PolarHBondContact O-N 3.43Å; L146-L148 PolarHBondContact O-N 2.98Å; L148-M150 VanDerWaalsContact C-N 3.33Å; L148-M150 PolarHBondContact O-N 3.48Å; L148-L151 PolarHBondContact O-N 3.4Å; L148-K152 WeakPolarHBondContact O-CB 3.38Å; L148-K152 PolarHBondContact O-N 3.27Å; L148-L188 HydrophobicContact CD2-CD2 3.35Å; L148-I191 HydrophobicContact CD2-CD1 4.46Å; L148-L246 HydrophobicContact CD1-CD1 3.51Å; L148-L246 HydrophobicContact CD1-CG 4.19Å; L148-L249 HydrophobicContact CB-CB 4.02Å; L148-L249 HydrophobicContact CD1-CB 3.81Å; L148-V250 HydrophobicContact CD1-CG2 3.57Å; L148-V250 HydrophobicContact CD2-CG2 4.01Å; L148-V250 HydrophobicContact CG-CG2 4.47Å; L148-C253 PolarHBondContact O-SG 2.82Å
149V93.3Very high90.8Very high10 Ų1031.4 Ų31.46%0.06118%0.182CC..Hα-helixtrans-59.7-46.1172.3170.20000110.2C112 P145 L146 L151 K152 T153 L249C112-V149 HydrophobicContact CB-CG1 4.47Å; P145-V149 WeakPolarHBondContact O-CG2 3.4Å; P145-V149 PolarHBondContact O-N 2.83Å; P145-V149 VanDerWaalsContact O-N 3.13Å; L146-V149 PolarHBondContact O-N 3.35Å; V149-L151 VanDerWaalsContact C-N 3.35Å; V149-L151 PolarHBondContact O-N 2.92Å; V149-K152 PolarHBondContact O-N 2.95Å; V149-T153 PolarHBondContact O-N 3.45Å; V149-T153 PolarHBondContact O-OG1 3.48Å; V149-T153 VanDerWaalsContact O-OG1 3.07Å; V149-L249 HydrophobicContact CG2-CD1 4.34Å; V149-L249 HydrophobicContact CG2-CD2 3.89Å
150M93.6Very high89.9Confident10 Ų1030 Ų305%0.04919%0.185CC..Hα-helixtrans-61-41.5175.8-76.2-168.569.500112.5L96 C112 I115 F130 T134 L137 L146 G147 L148 T154L96-M150 HydrophobicContact CD2-SD 3.95Å; C112-M150 HydrophobicContact CB-CG 4.04Å; I115-M150 HydrophobicContact CG2-CE 3.91Å; F130-M150 HydrophobicContact CE2-CE 4.38Å; T134-M150 HydrophobicContact CG2-CB 4.01Å; L137-M150 HydrophobicContact CD1-SD 3.65Å; L146-M150 PolarHBondContact O-N 3Å; G147-M150 PolarHBondContact O-N 3.38Å; L148-M150 VanDerWaalsContact C-N 3.33Å; L148-M150 PolarHBondContact O-N 3.48Å; M150-T154 VanDerWaalsContact O-CB 3.27Å; M150-T154 WeakPolarHBondContact O-CB 3.3Å; M150-T154 PolarHBondContact O-N 2.95Å; M150-T154 PolarHBondContact O-OG1 3Å
151L95Very high89.1Confident7 Ų727.7 Ų27.74%0.03717%0.171CC..Hα-helixtrans-64.7-45.2177.4176.867.4000112.2F131 T134 I138 G147 L148 V149 T154 S155 V184 L188F131-L151 HydrophobicContact CZ-CD1 4.31Å; T134-L151 HydrophobicContact CG2-CB 4.11Å; I138-L151 HydrophobicContact CD1-CB 3.96Å; I138-L151 HydrophobicContact CD1-CD2 3.72Å; I138-L151 HydrophobicContact CD1-CG 4.35Å; G147-L151 WeakPolarHBondContact O-CB 3.33Å; G147-L151 PolarHBondContact O-N 3.42Å; L148-L151 PolarHBondContact O-N 3.4Å; V149-L151 VanDerWaalsContact C-N 3.35Å; V149-L151 PolarHBondContact O-N 2.92Å; L151-T154 WeakPolarHBondContact O-CB 3.25Å; L151-T154 PolarHBondContact O-N 3.01Å; L151-S155 PolarHBondContact O-N 3.36Å; L151-V184 HydrophobicContact CD1-CG1 4.1Å; L151-V184 HydrophobicContact CD1-CG2 4.17Å; L151-V184 HydrophobicContact CD2-CG1 3.68Å; L151-V184 HydrophobicContact CG-CG1 4.43Å; L151-L188 HydrophobicContact CD2-CD1 4.3Å; L151-L188 HydrophobicContact CD2-CD2 4.08Å; L151-L188 HydrophobicContact CD2-CG 4.46Å
152K93.4Very high88.4Confident51 Ų5129.8 Ų29.822%0.22216%0.164CC..Hα-helixtrans-57.9-52.7176.4-171.3-177177.5-172.10110.6L148 V149 T154 S155 E156 E252L148-K152 WeakPolarHBondContact O-CB 3.38Å; L148-K152 PolarHBondContact O-N 3.27Å; V149-K152 PolarHBondContact O-N 2.95Å; K152-T154 VanDerWaalsContact C-N 3.27Å; K152-T154 PolarHBondContact O-N 3.48Å; K152-S155 WeakPolarHBondContact O-CA 3.49Å; K152-S155 WeakPolarHBondContact O-CB 3.24Å; K152-S155 PolarHBondContact O-N 3.26Å; K152-E156 WeakPolarHBondContact CE-OE1 3.26Å; K152-E156 WeakPolarHBondContact O-CG 3.42Å; K152-E156 PolarHBondContact O-N 2.84Å; K152-E252 HydrophobicContact CD-CB 4.22Å; K152-E252 IonicContact NZ-OE2 3.65Å; K152-E252 PolarHBondContact NZ-OE2 3.4Å
153T93.1Very high87.4Confident16 Ų1629.5 Ų29.510%0.09815%0.15CC..Hα-helixtrans-62.2-36.5178.1-54.90000111.7K113 V116 V149 E156 E157K113-T153 HydrophobicContact CB-CG2 4Å; K113-T153 HydrophobicContact CG-CG2 3.98Å; V116-T153 HydrophobicContact CB-CG2 4.14Å; V116-T153 HydrophobicContact CG1-CG2 4.23Å; V116-T153 HydrophobicContact CG2-CG2 4.08Å; V149-T153 PolarHBondContact O-N 3.45Å; V149-T153 PolarHBondContact O-OG1 3.48Å; V149-T153 VanDerWaalsContact O-OG1 3.07Å; T153-E156 PolarHBondContact O-N 2.9Å; T153-E157 HydrophobicContact CG2-CG 4.33Å; T153-E157 WeakPolarHBondContact O-CB 3.4Å; T153-E157 PolarHBondContact O-N 3.32Å
154T93.8Very high86.6Confident1 Ų128.7 Ų28.71%0.00615%0.146CC..Hα-helixtrans-61-44.8172.4-58.40000111.1V116 F130 F131 M150 L151 K152 L158 L177V116-T154 WeakPolarHBondContact CG2-OG1 3.36Å; F130-T154 HydrophobicContact CE1-CG2 4Å; F130-T154 HydrophobicContact CZ-CG2 4.25Å; F131-T154 HydrophobicContact CD2-CG2 4.22Å; F131-T154 HydrophobicContact CE2-CG2 4.07Å; M150-T154 VanDerWaalsContact O-CB 3.27Å; M150-T154 WeakPolarHBondContact O-CB 3.3Å; M150-T154 PolarHBondContact O-N 2.95Å; M150-T154 PolarHBondContact O-OG1 3Å; L151-T154 WeakPolarHBondContact O-CB 3.25Å; L151-T154 PolarHBondContact O-N 3.01Å; K152-T154 VanDerWaalsContact C-N 3.27Å; K152-T154 PolarHBondContact O-N 3.48Å; T154-L158 HydrophobicContact CG2-CD1 4.17Å; T154-L158 HydrophobicContact CG2-CD2 3.84Å; T154-L158 HydrophobicContact CG2-CG 4.45Å; T154-L158 VanDerWaalsContact O-CB 3.29Å; T154-L158 WeakPolarHBondContact O-CB 3.24Å; T154-L158 PolarHBondContact O-N 3.49Å; T154-L177 HydrophobicContact CG2-CD2 4.33Å
155S91.9Very high86.3Confident5 Ų528.5 Ų28.54%0.03514%0.144CC..Hα-helixtrans-63.7-41.6176.5-176.20000112.2L151 K152 A159 H256 W260L151-S155 PolarHBondContact O-N 3.36Å; K152-S155 WeakPolarHBondContact O-CA 3.49Å; K152-S155 WeakPolarHBondContact O-CB 3.24Å; K152-S155 PolarHBondContact O-N 3.26Å; S155-A159 WeakPolarHBondContact O-CB 3.43Å; S155-A159 PolarHBondContact O-N 3.39Å; S155-H256 PolarHBondContact O-CE1 3.37Å; S155-H256 PolarHBondContact OG-CE1 3.29Å; S155-H256 PolarHBondContact OG-ND1 3.38Å; S155-W260 PolarHBondContact OG-NE1 3.38Å
156E90.9Very high86Confident71 Ų7127.7 Ų27.733%0.33214%0.139SC..Hα-helixtrans-64-47.3179.2-71.1166.7174.200111.6K152 T153 H256K152-E156 WeakPolarHBondContact CE-OE1 3.26Å; K152-E156 WeakPolarHBondContact O-CG 3.42Å; K152-E156 PolarHBondContact O-N 2.84Å; T153-E156 PolarHBondContact O-N 2.9Å; E156-H256 VanDerWaalsContact CA-CE1 3.42Å; E156-H256 WeakPolarHBondContact CA-CE1 3.48Å; E156-H256 PolarHBondContact N-CE1 3.13Å
157E89.1Confident85.7Confident15 Ų1528.7 Ų28.77%0.0715%0.146CC..Hα-helixtrans-87-28.5-172-69.7-67.7161.200114.4K113 V116 R120 T153 P161K113-E157 WeakPolarHBondContact CE-OE1 3.47Å; K113-E157 IonicContact NZ-OE1 3.96Å; V116-E157 HydrophobicContact CG1-CB 3.94Å; V116-E157 HydrophobicContact CG1-CG 4.39Å; R120-E157 VanDerWaalsContact CD-O 3.3Å; R120-E157 WeakPolarHBondContact CD-O 3.31Å; R120-E157 IonicContact CZ-OE2 2.64Å; R120-E157 IonicContact NH1-OE2 3.93Å; R120-E157 PolarHBondContact NH1-OE2 3.05Å; T153-E157 HydrophobicContact CG2-CG 4.33Å; T153-E157 WeakPolarHBondContact O-CB 3.4Å; T153-E157 PolarHBondContact O-N 3.32Å; E157-P161 WeakPolarHBondContact O-CA 3.37Å; E157-P161 WeakPolarHBondContact O-CB 3.44Å
158L90.1Very high85.3Confident0 Ų031 Ų310%017%0.165CC..Hα-helixtrans-99-28.6-178.2-7864.8000113.4V116 R120 W123 F130 T154 P161 L173 L177V116-L158 HydrophobicContact CG1-CD1 3.68Å; R120-L158 HydrophobicContact CB-CD1 3.71Å; R120-L158 HydrophobicContact CB-CG 4.21Å; R120-L158 HydrophobicContact CG-CD1 4.04Å; R120-L158 HydrophobicContact CG-CG 4.26Å; W123-L158 HydrophobicContact CE3-CD2 3.81Å; W123-L158 HydrophobicContact CZ3-CD2 3.99Å; F130-L158 HydrophobicContact CE1-CD2 4.37Å; T154-L158 HydrophobicContact CG2-CD1 4.17Å; T154-L158 HydrophobicContact CG2-CD2 3.84Å; T154-L158 HydrophobicContact CG2-CG 4.45Å; T154-L158 VanDerWaalsContact O-CB 3.29Å; T154-L158 WeakPolarHBondContact O-CB 3.24Å; T154-L158 PolarHBondContact O-N 3.49Å; L158-P161 WeakPolarHBondContact O-CD 3.47Å; L158-L173 HydrophobicContact CD2-CD2 3.96Å; L158-L173 HydrophobicContact CG-CD1 4.26Å; L158-L173 HydrophobicContact CG-CD2 4.12Å; L158-L177 HydrophobicContact CB-CD1 3.57Å; L158-L177 HydrophobicContact CB-CG 4.3Å; L158-L177 HydrophobicContact CD2-CD2 4.45Å
159A83.3Confident85Confident6 Ų632.5 Ų32.55%0.0517%0.171CC..Hα-helixtrans-86.9-34.1-178.900000113S155 P161 L177 W260S155-A159 WeakPolarHBondContact O-CB 3.43Å; S155-A159 PolarHBondContact O-N 3.39Å; A159-P161 WeakPolarHBondContact O-CD 3.39Å; A159-L177 HydrophobicContact CB-CD1 3.79Å; A159-W260 HydrophobicContact CB-CD2 3.5Å; A159-W260 VanDerWaalsContact CB-CD2 3.5Å; A159-W260 HydrophobicContact CB-CE3 3.96Å; A159-W260 HydrophobicContact CB-CG 3.91Å; A159-W260 HydrophobicContact CB-CH2 4.09Å; A159-W260 HydrophobicContact CB-CZ2 3.61Å; A159-W260 HydrophobicContact CB-CZ3 4.23Å
160C71.1Confident84.8Confident92 Ų9233.7 Ų33.762%0.62218%0.175SC*.SBendtrans-124.160.3172.9-168.50000110.9
161P73.6Confident84.4Confident17 Ų1737.4 Ų37.411%0.1120%0.195CC..  trans-61.9142.2-176.524.9-33.4000111.5E157 L158 A159 L165 K170E157-P161 WeakPolarHBondContact O-CA 3.37Å; E157-P161 WeakPolarHBondContact O-CB 3.44Å; L158-P161 WeakPolarHBondContact O-CD 3.47Å; A159-P161 WeakPolarHBondContact O-CD 3.39Å; P161-L165 HydrophobicContact CB-CD1 3.61Å; P161-L165 HydrophobicContact CG-CD1 4.37Å; P161-K170 HydrophobicContact CB-CG 4.26Å; P161-K170 HydrophobicContact CG-CB 3.81Å; P161-K170 HydrophobicContact CG-CD 3.8Å; P161-K170 HydrophobicContact CG-CG 3.44Å; P161-K170 VanDerWaalsContact CG-CG 3.44Å
162R70.9Confident84.3Confident159 Ų15941 Ų4160%0.621%0.211SC*.  trans-61.8172.5174-61.5178.6-177-160.2-4.8110.7D164 K170R162-D164 WeakPolarHBondContact CB-OD1 3.39Å; R162-D164 PolarHBondContact O-N 3.04Å; R162-K170 WeakPolarHBondContact O-CE 3.35Å; R162-K170 PolarHBondContact O-NZ 2.65Å
163E64.3Low84.1Confident70 Ų7038.5 Ų38.533%0.32720%0.201SC..THydrogen-bonded Turntrans-7210.6-179.7-63.6-175.5-171.900114.6L165 K1061 R1133E163-L165 PolarHBondContact O-N 3.24Å; E163-K1061 WeakPolarHBondContact OE1-CE 3.42Å; E163-K1061 IonicContact OE1-NZ 3.45Å; E163-K1061 PolarHBondContact OE1-NZ 3.27Å; E163-K1061 WeakPolarHBondContact OE2-CE 3.15Å; E163-K1061 IonicContact OE2-NZ 2.93Å; E163-R1133 IonicContact OE1-NH1 3.86Å; E163-R1133 IonicContact OE2-CZ 2.82Å; E163-R1133 IonicContact OE2-NH1 3.84Å; E163-R1133 PolarHBondContact OE2-NH1 3.27Å
164D73.5Confident84Confident22 Ų2243 Ų4312%0.11822%0.216CC..THydrogen-bonded Turntrans-87.816.2175.461.5-15.5000113R120 R162 Y1134 L1137R120-D164 IonicContact CZ-OD1 3.16Å; R120-D164 IonicContact CZ-OD2 3.4Å; R120-D164 IonicContact NH1-OD1 3.73Å; R120-D164 PolarHBondContact NH1-OD1 3.41Å; R120-D164 IonicContact NH1-OD2 2.62Å; R120-D164 PolarHBondContact NH1-OD2 3.47Å; R120-D164 IonicContact NH2-OD1 3.01Å; R120-D164 IonicContact NH2-OD2 2.69Å; R120-D164 PolarHBondContact NH2-OD2 3.03Å; R162-D164 WeakPolarHBondContact CB-OD1 3.39Å; R162-D164 PolarHBondContact O-N 3.04Å; D164-Y1134 VanDerWaalsContact C-CD2 3.41Å; D164-Y1134 WeakPolarHBondContact O-CD2 3.26Å; D164-Y1134 WeakPolarHBondContact O-CE2 3.27Å; D164-L1137 HydrophobicContact CB-CD2 3.7Å
165L82.9Confident83.8Confident0 Ų049.5 Ų49.50%024%0.244CC..SBendtrans-132.3150.6172.1-65.6178.1000111.6R120 P161 E163 R169 K170 L173 N1130R120-L165 HydrophobicContact CG-CD1 3.64Å; P161-L165 HydrophobicContact CB-CD1 3.61Å; P161-L165 HydrophobicContact CG-CD1 4.37Å; E163-L165 PolarHBondContact O-N 3.24Å; L165-R169 HydrophobicContact CD1-CG 4.42Å; L165-R169 HydrophobicContact CD2-CG 4.39Å; L165-K170 HydrophobicContact CB-CG 4.09Å; L165-K170 WeakPolarHBondContact O-CE 3.41Å; L165-L173 HydrophobicContact CD1-CD1 3.93Å; L165-N1130 PolarHBondContact O-ND2 3.12Å
166S84.8Confident83.9Confident23 Ų2350.8 Ų50.816%0.16125%0.25CS..  trans-65.7147.2169.568.50000111.6A168 R169 K170 D1131S166-A168 PolarHBondContact O-N 3.44Å; S166-R169 WeakPolarHBondContact O-CB 3.47Å; S166-R169 PolarHBondContact O-N 2.89Å; S166-R169 WeakPolarHBondContact OG-CB 3.09Å; S166-R169 PolarHBondContact OG-N 3.44Å; S166-K170 WeakPolarHBondContact O-CG 3.46Å; S166-K170 PolarHBondContact O-N 3.28Å; S166-K170 VanDerWaalsContact O-N 3.07Å; S166-D1131 VanDerWaalsContact CA-OD1 3.27Å; S166-D1131 WeakPolarHBondContact CA-OD1 3.36Å
167V85.1Confident83.9Confident27 Ų2747.9 Ų47.916%0.16424%0.237CC..Hα-helixtrans-57.9-40-179.3177.80000111.3R169 K170 D171 R1127 N1130 D1131V167-R169 VanDerWaalsContact C-N 3.25Å; V167-R169 PolarHBondContact O-N 2.85Å; V167-K170 WeakPolarHBondContact O-CB 3.39Å; V167-K170 PolarHBondContact O-N 2.98Å; V167-K170 VanDerWaalsContact O-N 3.08Å; V167-D171 PolarHBondContact O-N 3.36Å; V167-R1127 HydrophobicContact CB-CG 3.99Å; V167-R1127 HydrophobicContact CG1-CG 4.31Å; V167-R1127 HydrophobicContact CG2-CB 4.22Å; V167-R1127 HydrophobicContact CG2-CG 3.91Å; V167-N1130 HydrophobicContact CG2-CB 3.84Å; V167-N1130 WeakPolarHBondContact CG2-ND2 3.49Å; V167-N1130 PolarHBondContact N-ND2 3.44Å; V167-D1131 PolarHBondContact N-OD1 3.2Å
168A85.3Confident84Confident49 Ų4950 Ų5041%0.40525%0.249SC..Hα-helixtrans-57.5-39.917700000112.3S166 E172S166-A168 PolarHBondContact O-N 3.44Å; A168-E172 WeakPolarHBondContact O-CB 3.5Å; A168-E172 PolarHBondContact O-N 3.1Å
169R87.1Confident84Confident31 Ų3155.3 Ų55.312%0.11727%0.274CS..Hα-helixtrans-70.4-38.1176.6-176.557176.41673.7111.7R120 Q121 W123 L165 S166 V167 E172 L173R120-R169 PolarHBondContact O-NE 3.34Å; R120-R169 VanDerWaalsContact O-NE 3.09Å; R120-R169 PolarHBondContact O-NH2 3.43Å; Q121-R169 PolarHBondContact O-NH2 3.44Å; Q121-R169 VanDerWaalsContact O-NH2 3.16Å; W123-R169 VanDerWaalsContact O-CZ 3.23Å; W123-R169 PolarHBondContact O-NH1 3.23Å; W123-R169 PolarHBondContact O-NH2 2.93Å; L165-R169 HydrophobicContact CD1-CG 4.42Å; L165-R169 HydrophobicContact CD2-CG 4.39Å; S166-R169 WeakPolarHBondContact O-CB 3.47Å; S166-R169 PolarHBondContact O-N 2.89Å; S166-R169 WeakPolarHBondContact OG-CB 3.09Å; S166-R169 PolarHBondContact OG-N 3.44Å; V167-R169 VanDerWaalsContact C-N 3.25Å; V167-R169 PolarHBondContact O-N 2.85Å; R169-E172 WeakPolarHBondContact CD-OE2 3.22Å; R169-E172 IonicContact CZ-OE2 3.08Å; R169-E172 IonicContact NH1-OE1 3.89Å; R169-E172 IonicContact NH1-OE2 2.75Å; R169-E172 PolarHBondContact NH1-OE2 3.38Å; R169-E172 PolarHBondContact O-N 3.4Å; R169-L173 HydrophobicContact CG-CD1 4.16Å; R169-L173 HydrophobicContact CG-CG 4.42Å; R169-L173 WeakPolarHBondContact O-CB 3.45Å; R169-L173 VanDerWaalsContact O-CG 3.27Å; R169-L173 WeakPolarHBondContact O-CG 3.33Å; R169-L173 PolarHBondContact O-N 2.98Å
170K88.1Confident84.4Confident36 Ų3657.7 Ų57.716%0.15728%0.284CS..Hα-helixtrans-60.8-46.5175-58.2-175.1170.7-179.10111.5P161 R162 L165 S166 V167 L173 R174 N1130P161-K170 HydrophobicContact CB-CG 4.26Å; P161-K170 HydrophobicContact CG-CB 3.81Å; P161-K170 HydrophobicContact CG-CD 3.8Å; P161-K170 HydrophobicContact CG-CG 3.44Å; P161-K170 VanDerWaalsContact CG-CG 3.44Å; R162-K170 WeakPolarHBondContact O-CE 3.35Å; R162-K170 PolarHBondContact O-NZ 2.65Å; L165-K170 HydrophobicContact CB-CG 4.09Å; L165-K170 WeakPolarHBondContact O-CE 3.41Å; S166-K170 WeakPolarHBondContact O-CG 3.46Å; S166-K170 PolarHBondContact O-N 3.28Å; S166-K170 VanDerWaalsContact O-N 3.07Å; V167-K170 WeakPolarHBondContact O-CB 3.39Å; V167-K170 PolarHBondContact O-N 2.98Å; V167-K170 VanDerWaalsContact O-N 3.08Å; K170-L173 PolarHBondContact O-N 3.44Å; K170-R174 WeakPolarHBondContact O-CB 3.39Å; K170-R174 PolarHBondContact O-N 3.29Å; K170-N1130 PolarHBondContact NZ-OD1 2.93Å
171D86.2Confident85.4Confident87 Ų8753.6 Ų53.647%0.46526%0.256SS..Hα-helixtrans-64.2-42.5178.6-69.3-22.7000111.7V167 R174 K175V167-D171 PolarHBondContact O-N 3.36Å; D171-R174 PolarHBondContact O-N 2.99Å; D171-K175 WeakPolarHBondContact O-CB 3.3Å; D171-K175 PolarHBondContact O-N 3.19Å
172E91.2Very high86.2Confident82 Ų8257 Ų5738%0.38328%0.278SS..Hα-helixtrans-60.2-52.5175.4-175.2-171.4-160.900111.4A168 R169 R174 K175 L176A168-E172 WeakPolarHBondContact O-CB 3.5Å; A168-E172 PolarHBondContact O-N 3.1Å; R169-E172 WeakPolarHBondContact CD-OE2 3.22Å; R169-E172 IonicContact CZ-OE2 3.08Å; R169-E172 IonicContact NH1-OE1 3.89Å; R169-E172 IonicContact NH1-OE2 2.75Å; R169-E172 PolarHBondContact NH1-OE2 3.38Å; R169-E172 PolarHBondContact O-N 3.4Å; E172-R174 VanDerWaalsContact C-N 3.33Å; E172-R174 PolarHBondContact O-N 3.31Å; E172-K175 PolarHBondContact O-N 3.28Å; E172-L176 HydrophobicContact CG-CD1 3.96Å; E172-L176 HydrophobicContact CG-CG 4.5Å; E172-L176 VanDerWaalsContact O-CG 3.29Å; E172-L176 WeakPolarHBondContact O-CG 3.36Å; E172-L176 PolarHBondContact O-N 3.22Å
173L90.8Very high87.1Confident0 Ų052.9 Ų52.90%027%0.27CS..Hα-helixtrans-59.1-44.2178.7-73.1173.9000111.7R120 W123 L158 L165 R169 K170 K175 L176 L177R120-L173 HydrophobicContact CG-CD1 3.97Å; W123-L173 HydrophobicContact CE3-CD2 3.94Å; W123-L173 HydrophobicContact CZ3-CD2 4.37Å; L158-L173 HydrophobicContact CD2-CD2 3.96Å; L158-L173 HydrophobicContact CG-CD1 4.26Å; L158-L173 HydrophobicContact CG-CD2 4.12Å; L165-L173 HydrophobicContact CD1-CD1 3.93Å; R169-L173 HydrophobicContact CG-CD1 4.16Å; R169-L173 HydrophobicContact CG-CG 4.42Å; R169-L173 WeakPolarHBondContact O-CB 3.45Å; R169-L173 VanDerWaalsContact O-CG 3.27Å; R169-L173 WeakPolarHBondContact O-CG 3.33Å; R169-L173 PolarHBondContact O-N 2.98Å; K170-L173 PolarHBondContact O-N 3.44Å; L173-K175 PolarHBondContact O-N 3.2Å; L173-L176 PolarHBondContact O-N 3.43Å; L173-L177 WeakPolarHBondContact O-CB 3.41Å; L173-L177 WeakPolarHBondContact O-CG 3.48Å; L173-L177 PolarHBondContact O-N 2.57Å
174R90.1Very high88.5Confident110 Ų11049.8 Ų49.842%0.41526%0.256SS..Hα-helixtrans-61.1-44.6177.1-173.9175.4-174137.84111.3K170 D171 E172 L177 L178 W260K170-R174 WeakPolarHBondContact O-CB 3.39Å; K170-R174 PolarHBondContact O-N 3.29Å; D171-R174 PolarHBondContact O-N 2.99Å; E172-R174 VanDerWaalsContact C-N 3.33Å; E172-R174 PolarHBondContact O-N 3.31Å; R174-L177 PolarHBondContact O-N 3.07Å; R174-L178 HydrophobicContact CG-CD1 4.25Å; R174-L178 WeakPolarHBondContact O-CB 3.36Å; R174-L178 VanDerWaalsContact O-CG 3.25Å; R174-L178 WeakPolarHBondContact O-CG 3.23Å; R174-L178 PolarHBondContact O-N 3.4Å; R174-W260 PolarHBondContact NH2-O 3.48Å
175K90.5Very high89.3Confident137 Ų13749.1 Ų49.160%0.59625%0.253SS*.Hα-helixtrans-61.4-48.4177.1-175.6-176.7174.2-1730111.4D171 E172 L173 L177 L178 E179D171-K175 WeakPolarHBondContact O-CB 3.3Å; D171-K175 PolarHBondContact O-N 3.19Å; E172-K175 PolarHBondContact O-N 3.28Å; L173-K175 PolarHBondContact O-N 3.2Å; K175-L177 VanDerWaalsContact C-N 3.34Å; K175-L177 PolarHBondContact O-N 2.96Å; K175-L178 PolarHBondContact O-N 3.29Å; K175-E179 PolarHBondContact O-N 3.42Å; K175-E179 VanDerWaalsContact O-N 3.15Å
176L92.1Very high89.6Confident32 Ų3251.3 Ų51.317%0.16828%0.275CS..Hα-helixtrans-61.5-41.5178.8-69.1167.8000111.9W123 P124 E172 L173 E179 Q180W123-L176 HydrophobicContact CE3-CB 4.47Å; W123-L176 HydrophobicContact CE3-CD1 4.26Å; W123-L176 HydrophobicContact CH2-CB 3.48Å; W123-L176 VanDerWaalsContact CH2-CB 3.48Å; W123-L176 HydrophobicContact CZ2-CB 4.23Å; W123-L176 HydrophobicContact CZ3-CB 3.61Å; W123-L176 HydrophobicContact CZ3-CD1 4.17Å; P124-L176 HydrophobicContact CG-CD1 4.1Å; P124-L176 HydrophobicContact CG-CD2 4.41Å; E172-L176 HydrophobicContact CG-CD1 3.96Å; E172-L176 HydrophobicContact CG-CG 4.5Å; E172-L176 VanDerWaalsContact O-CG 3.29Å; E172-L176 WeakPolarHBondContact O-CG 3.36Å; E172-L176 PolarHBondContact O-N 3.22Å; L173-L176 PolarHBondContact O-N 3.43Å; L176-E179 PolarHBondContact O-N 3Å; L176-Q180 WeakPolarHBondContact O-CG 3.44Å; L176-Q180 PolarHBondContact O-N 3.21Å
177L91.7Very high89.9Confident10 Ų1052.1 Ų52.15%0.05228%0.277CS..Hα-helixtrans-64.8-42.8175.4-76-179.9000112W123 F131 T154 L158 A159 L173 R174 K175 E179 Q180 V181 W260W123-L177 HydrophobicContact CH2-CD2 4.18Å; W123-L177 HydrophobicContact CZ3-CD2 4.11Å; W123-L177 HydrophobicContact CZ3-CG 4.26Å; F131-L177 HydrophobicContact CD2-CD2 4.36Å; F131-L177 HydrophobicContact CE2-CD2 3.72Å; F131-L177 HydrophobicContact CZ-CD2 4.41Å; T154-L177 HydrophobicContact CG2-CD2 4.33Å; L158-L177 HydrophobicContact CB-CD1 3.57Å; L158-L177 HydrophobicContact CB-CG 4.3Å; L158-L177 HydrophobicContact CD2-CD2 4.45Å; A159-L177 HydrophobicContact CB-CD1 3.79Å; L173-L177 WeakPolarHBondContact O-CB 3.41Å; L173-L177 WeakPolarHBondContact O-CG 3.48Å; L173-L177 PolarHBondContact O-N 2.57Å; R174-L177 PolarHBondContact O-N 3.07Å; K175-L177 VanDerWaalsContact C-N 3.34Å; K175-L177 PolarHBondContact O-N 2.96Å; L177-E179 PolarHBondContact O-N 3.26Å; L177-Q180 WeakPolarHBondContact O-CA 3.38Å; L177-Q180 WeakPolarHBondContact O-CB 3.37Å; L177-Q180 PolarHBondContact O-N 2.95Å; L177-V181 WeakPolarHBondContact O-CG2 3.18Å; L177-V181 PolarHBondContact O-N 3.44Å; L177-V181 VanDerWaalsContact O-N 3.1Å; L177-W260 HydrophobicContact CB-CH2 3.92Å; L177-W260 HydrophobicContact CD1-CH2 4.34Å
178L91.2Very high90.2Very high60 Ų6050.8 Ų50.831%0.31427%0.27SS..Hα-helixtrans-58-37177.4-76.2171000112.2R174 K175 Q180 V181 W260 P262R174-L178 HydrophobicContact CG-CD1 4.25Å; R174-L178 WeakPolarHBondContact O-CB 3.36Å; R174-L178 VanDerWaalsContact O-CG 3.25Å; R174-L178 WeakPolarHBondContact O-CG 3.23Å; R174-L178 PolarHBondContact O-N 3.4Å; K175-L178 PolarHBondContact O-N 3.29Å; L178-Q180 PolarHBondContact O-N 3.17Å; L178-V181 HydrophobicContact CD2-CG2 4.47Å; L178-V181 PolarHBondContact O-N 3.17Å; L178-W260 HydrophobicContact CD2-CE3 4.49Å; L178-W260 HydrophobicContact CD2-CZ3 3.77Å; L178-W260 HydrophobicContact CG-CZ3 4.12Å; L178-P262 HydrophobicContact CD2-CG 3.98Å
179E91.1Very high90.4Very high112 Ų11248.9 Ų48.952%0.52325%0.253SS..Hα-helixtrans-63.2-28.6174.5-69.1172.7-17100112.5K175 L176 L177K175-E179 PolarHBondContact O-N 3.42Å; K175-E179 VanDerWaalsContact O-N 3.15Å; L176-E179 PolarHBondContact O-N 3Å; L177-E179 PolarHBondContact O-N 3.26Å
180Q91.6Very high90.4Very high56 Ų5648.6 Ų48.626%0.26226%0.259SS..Hα-helixtrans-89.3-16.3179.5-57.7-57.2-45.900114.1F131 L176 L177 L178 T183 V184F131-Q180 HydrophobicContact CD1-CB 4.24Å; F131-Q180 HydrophobicContact CD1-CG 3.79Å; F131-Q180 HydrophobicContact CE1-CB 3.45Å; F131-Q180 VanDerWaalsContact CE1-CB 3.45Å; F131-Q180 HydrophobicContact CE1-CG 3.53Å; F131-Q180 HydrophobicContact CZ-CB 3.75Å; F131-Q180 HydrophobicContact CZ-CG 4.08Å; L176-Q180 WeakPolarHBondContact O-CG 3.44Å; L176-Q180 PolarHBondContact O-N 3.21Å; L177-Q180 WeakPolarHBondContact O-CA 3.38Å; L177-Q180 WeakPolarHBondContact O-CB 3.37Å; L177-Q180 PolarHBondContact O-N 2.95Å; L178-Q180 PolarHBondContact O-N 3.17Å; Q180-T183 PolarHBondContact O-N 3.23Å; Q180-T183 VanDerWaalsContact O-N 3.15Å; Q180-V184 WeakPolarHBondContact O-CG2 3.24Å; Q180-V184 PolarHBondContact O-N 3.24Å
181V91.1Very high90.4Very high5 Ų548 Ų483%0.0326%0.258CS..Hα-helixtrans-51.9-46.6-175.5166.80000113.1L177 L178 T183 V184 L185 W260 I261L177-V181 WeakPolarHBondContact O-CG2 3.18Å; L177-V181 PolarHBondContact O-N 3.44Å; L177-V181 VanDerWaalsContact O-N 3.1Å; L178-V181 HydrophobicContact CD2-CG2 4.47Å; L178-V181 PolarHBondContact O-N 3.17Å; V181-T183 VanDerWaalsContact C-N 3.33Å; V181-T183 PolarHBondContact O-N 3.21Å; V181-V184 PolarHBondContact O-N 3.21Å; V181-L185 HydrophobicContact CG1-CD1 3.68Å; V181-L185 HydrophobicContact CG1-CG 4.03Å; V181-L185 WeakPolarHBondContact O-CB 3.46Å; V181-L185 WeakPolarHBondContact O-CG 3.36Å; V181-L185 PolarHBondContact O-N 3.43Å; V181-W260 HydrophobicContact CG2-CH2 3.94Å; V181-I261 HydrophobicContact CG1-CD1 4.21Å; V181-I261 HydrophobicContact CG1-CG2 4.26Å; V181-I261 HydrophobicContact CG2-CG2 3.78Å
182P89.9Confident90.3Very high89 Ų8943.9 Ų43.958%0.57824%0.236SC*.Hα-helixtrans-59.3-42.3-179.8-2535.3000113.1G186P182-G186 PolarHBondContact O-N 2.85Å
183T91.1Very high90Very high72 Ų7243 Ų4344%0.44223%0.232SC..Hα-helixtrans-65.3-44.8177.5-53.30000111.1L135 Q180 V181 G186 L187L135-T183 HydrophobicContact CD1-CG2 4.24Å; Q180-T183 PolarHBondContact O-N 3.23Å; Q180-T183 VanDerWaalsContact O-N 3.15Å; V181-T183 VanDerWaalsContact C-N 3.33Å; V181-T183 PolarHBondContact O-N 3.21Å; T183-G186 PolarHBondContact O-N 3.39Å; T183-L187 HydrophobicContact CG2-CD1 4.35Å; T183-L187 WeakPolarHBondContact O-CG 3.43Å; T183-L187 PolarHBondContact O-N 3.31Å
184V92.5Very high89.5Confident6 Ų646.2 Ų46.24%0.03625%0.251CS..Hα-helixtrans-62.3-49.6178.5172.20000111F131 L135 L151 Q180 V181 G186 L187 L188 L257F131-V184 HydrophobicContact CE1-CG2 4.11Å; F131-V184 HydrophobicContact CZ-CG2 3.85Å; L135-V184 HydrophobicContact CD2-CG2 4.05Å; L151-V184 HydrophobicContact CD1-CG1 4.1Å; L151-V184 HydrophobicContact CD1-CG2 4.17Å; L151-V184 HydrophobicContact CD2-CG1 3.68Å; L151-V184 HydrophobicContact CG-CG1 4.43Å; Q180-V184 WeakPolarHBondContact O-CG2 3.24Å; Q180-V184 PolarHBondContact O-N 3.24Å; V181-V184 PolarHBondContact O-N 3.21Å; V184-G186 VanDerWaalsContact C-N 3.3Å; V184-G186 PolarHBondContact O-N 3.41Å; V184-L187 PolarHBondContact O-N 3.08Å; V184-L188 HydrophobicContact CG1-CD1 3.92Å; V184-L188 HydrophobicContact CG1-CG 4.26Å; V184-L188 WeakPolarHBondContact O-CG 3.46Å; V184-L188 PolarHBondContact O-N 3.31Å; V184-L257 HydrophobicContact CG1-CD1 3.85Å
185L90.4Very high88.5Confident8 Ų842.9 Ų42.94%0.04224%0.239CC..Hα-helixtrans-61.8-39.2178.7-69.2-179.8000111.6V181 L188 T189 L254 L257 F258 I261 S266 L271V181-L185 HydrophobicContact CG1-CD1 3.68Å; V181-L185 HydrophobicContact CG1-CG 4.03Å; V181-L185 WeakPolarHBondContact O-CB 3.46Å; V181-L185 WeakPolarHBondContact O-CG 3.36Å; V181-L185 PolarHBondContact O-N 3.43Å; L185-L188 PolarHBondContact O-N 3.06Å; L185-T189 VanDerWaalsContact O-CB 3.27Å; L185-T189 WeakPolarHBondContact O-CB 3.49Å; L185-T189 PolarHBondContact O-N 3.21Å; L185-T189 PolarHBondContact O-OG1 3.39Å; L185-L254 HydrophobicContact CD2-CD2 3.67Å; L185-L257 HydrophobicContact CD2-CD1 4.31Å; L185-F258 HydrophobicContact CD2-CE1 4.3Å; L185-I261 HydrophobicContact CD1-CD1 4.17Å; L185-S266 WeakPolarHBondContact CD1-O 3.49Å; L185-L271 HydrophobicContact CD1-CD2 4.5Å; L185-L271 HydrophobicContact CD2-CD2 4.06Å
186G89.3Confident87.4Confident46 Ų4639.3 Ų39.347%0.47422%0.222SC..Hα-helixtrans-60.1-44.217400000112.9P182 T183 V184 G190P182-G186 PolarHBondContact O-N 2.85Å; T183-G186 PolarHBondContact O-N 3.39Å; V184-G186 VanDerWaalsContact C-N 3.3Å; V184-G186 PolarHBondContact O-N 3.41Å; G186-G190 PolarHBondContact O-N 3.07Å
187L91Very high86Confident39 Ų3942.3 Ų42.320%0.20424%0.238CC..Hα-helixtrans-65.9-46.8177.1-70.9169.4000112.3L135 Q139 T183 V184 T189 G190 I191L135-L187 HydrophobicContact CB-CD1 4.46Å; L135-L187 HydrophobicContact CD2-CD1 3.87Å; Q139-L187 HydrophobicContact CG-CD2 3.9Å; T183-L187 HydrophobicContact CG2-CD1 4.35Å; T183-L187 WeakPolarHBondContact O-CG 3.43Å; T183-L187 PolarHBondContact O-N 3.31Å; V184-L187 PolarHBondContact O-N 3.08Å; L187-T189 VanDerWaalsContact C-N 3.35Å; L187-T189 PolarHBondContact O-N 2.88Å; L187-G190 PolarHBondContact O-N 2.65Å; L187-I191 WeakPolarHBondContact O-CG1 3.34Å; L187-I191 PolarHBondContact O-N 2.71Å
188L92.5Very high84.4Confident0 Ų047.7 Ų47.70%026%0.261CS..Hα-helixtrans-63.1-42.4178.8-65.6-178.4000111.4L148 L151 V184 L185 I191 L192 V250 C253 L254 L257L148-L188 HydrophobicContact CD2-CD2 3.35Å; L151-L188 HydrophobicContact CD2-CD1 4.3Å; L151-L188 HydrophobicContact CD2-CD2 4.08Å; L151-L188 HydrophobicContact CD2-CG 4.46Å; V184-L188 HydrophobicContact CG1-CD1 3.92Å; V184-L188 HydrophobicContact CG1-CG 4.26Å; V184-L188 WeakPolarHBondContact O-CG 3.46Å; V184-L188 PolarHBondContact O-N 3.31Å; L185-L188 PolarHBondContact O-N 3.06Å; L188-I191 PolarHBondContact O-N 2.92Å; L188-L192 WeakPolarHBondContact O-CG 3.49Å; L188-L192 PolarHBondContact O-N 3.47Å; L188-L192 VanDerWaalsContact O-N 3.17Å; L188-V250 HydrophobicContact CB-CG1 3.91Å; L188-V250 HydrophobicContact CD2-CG1 4.05Å; L188-V250 HydrophobicContact CD2-CG2 4.19Å; L188-V250 HydrophobicContact CG-CG1 4.45Å; L188-C253 HydrophobicContact CD1-CB 4.04Å; L188-L254 HydrophobicContact CB-CD2 4.14Å; L188-L254 HydrophobicContact CB-CG 4.44Å; L188-L254 HydrophobicContact CD1-CD2 3.72Å; L188-L254 HydrophobicContact CD1-CG 4Å; L188-L257 HydrophobicContact CD1-CD1 3.79Å
189T89.2Confident82.6Confident8 Ų847.6 Ų47.65%0.04926%0.259CS..Hα-helixtrans-62.3-47.1174.8-52.50000110.7L185 L187 I191 L192 E193 L271L185-T189 VanDerWaalsContact O-CB 3.27Å; L185-T189 WeakPolarHBondContact O-CB 3.49Å; L185-T189 PolarHBondContact O-N 3.21Å; L185-T189 PolarHBondContact O-OG1 3.39Å; L187-T189 VanDerWaalsContact C-N 3.35Å; L187-T189 PolarHBondContact O-N 2.88Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.22Å; T189-L192 PolarHBondContact O-N 3.12Å; T189-L192 VanDerWaalsContact O-N 3.11Å; T189-E193 HydrophobicContact CG2-CG 4.2Å; T189-E193 WeakPolarHBondContact O-CG 3.49Å; T189-E193 PolarHBondContact O-N 3.17Å; T189-L271 HydrophobicContact CG2-CB 4.33Å; T189-L271 WeakPolarHBondContact OG1-CD1 3.49Å
190G87Confident80.5Confident25 Ų2544 Ų4426%0.25825%0.246SC..Hα-helixtrans-60.4-37.7178.400000113.1G186 L187 E193 T194G186-G190 PolarHBondContact O-N 3.07Å; L187-G190 PolarHBondContact O-N 2.65Å; G190-E193 PolarHBondContact O-N 3.11Å; G190-T194 VanDerWaalsContact O-CG2 3.27Å; G190-T194 WeakPolarHBondContact O-CG2 3.38Å; G190-T194 PolarHBondContact O-N 3.1Å; G190-T194 PolarHBondContact O-OG1 3.28Å
191I87.3Confident78.1Confident24 Ų2446.5 Ų46.512%0.12327%0.265CS..Hα-helixtrans-60.9-51.2173.2-67166.5000109.6I138 L148 L187 L188 T189 E193 T194 Y195 L246 V250I138-I191 HydrophobicContact CG2-CD1 3.59Å; L148-I191 HydrophobicContact CD2-CD1 4.46Å; L187-I191 WeakPolarHBondContact O-CG1 3.34Å; L187-I191 PolarHBondContact O-N 2.71Å; L188-I191 PolarHBondContact O-N 2.92Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.22Å; I191-E193 VanDerWaalsContact C-N 3.34Å; I191-E193 PolarHBondContact O-N 3.3Å; I191-T194 PolarHBondContact O-N 3Å; I191-T194 PolarHBondContact O-OG1 3.25Å; I191-Y195 HydrophobicContact CG2-CD2 4.35Å; I191-Y195 HydrophobicContact CG2-CE2 3.96Å; I191-Y195 WeakPolarHBondContact O-CD2 3.47Å; I191-L246 HydrophobicContact CG2-CD2 3.9Å; I191-L246 HydrophobicContact CG2-CG 4.24Å; I191-V250 HydrophobicContact CB-CG2 4.28Å; I191-V250 HydrophobicContact CD1-CG2 4.34Å; I191-V250 HydrophobicContact CG2-CG2 3.86Å
192L85.8Confident75.8Confident0 Ų052.7 Ų52.70%030%0.296CS..Hα-helixtrans-59.5-42.3178.3-66.3179.5000112.5L188 T189 Y195 W196 C247 V250 L251 L254 F278L188-L192 WeakPolarHBondContact O-CG 3.49Å; L188-L192 PolarHBondContact O-N 3.47Å; L188-L192 VanDerWaalsContact O-N 3.17Å; T189-L192 PolarHBondContact O-N 3.12Å; T189-L192 VanDerWaalsContact O-N 3.11Å; L192-Y195 PolarHBondContact O-N 2.83Å; L192-W196 PolarHBondContact O-N 3.38Å; L192-C247 HydrophobicContact CD2-CB 4.44Å; L192-V250 HydrophobicContact CD1-CG1 3.92Å; L192-V250 HydrophobicContact CD2-CB 4.13Å; L192-V250 HydrophobicContact CD2-CG1 3.82Å; L192-V250 HydrophobicContact CG-CG1 3.71Å; L192-L251 HydrophobicContact CD1-CD2 4.43Å; L192-L254 HydrophobicContact CD1-CD1 3.89Å; L192-F278 HydrophobicContact CB-CE2 3.81Å; L192-F278 HydrophobicContact CD2-CD2 4.02Å; L192-F278 HydrophobicContact CD2-CE2 3.65Å; L192-F278 HydrophobicContact CD2-CZ 3.97Å; L192-F278 HydrophobicContact CG-CE2 4.17Å
193E83.1Confident73.3Confident64 Ų6451.9 Ų51.930%0.29930%0.297SS..Hα-helixtrans-66.9-40179.6-75.2179.6167.500112.6T189 G190 I191 Y195 W196 D197T189-E193 HydrophobicContact CG2-CG 4.2Å; T189-E193 WeakPolarHBondContact O-CG 3.49Å; T189-E193 PolarHBondContact O-N 3.17Å; G190-E193 PolarHBondContact O-N 3.11Å; I191-E193 VanDerWaalsContact C-N 3.34Å; I191-E193 PolarHBondContact O-N 3.3Å; E193-Y195 PolarHBondContact O-N 3.32Å; E193-Y195 VanDerWaalsContact O-N 3.17Å; E193-W196 WeakPolarHBondContact O-CB 2.9Å; E193-W196 PolarHBondContact O-N 3.08Å; E193-W196 VanDerWaalsContact O-N 3.1Å; E193-D197 PolarHBondContact O-N 2.77Å
194T80.6Confident70.5Confident67 Ų6753 Ų5341%0.41131%0.308SS..Hα-helixtrans-59.5-31177.555.50000112.8G190 I191 K198G190-T194 VanDerWaalsContact O-CG2 3.27Å; G190-T194 WeakPolarHBondContact O-CG2 3.38Å; G190-T194 PolarHBondContact O-N 3.1Å; G190-T194 PolarHBondContact O-OG1 3.28Å; I191-T194 PolarHBondContact O-N 3Å; I191-T194 PolarHBondContact O-OG1 3.25Å; T194-K198 VanDerWaalsContact O-CB 3.3Å; T194-K198 WeakPolarHBondContact O-CB 3.43Å; T194-K198 WeakPolarHBondContact O-CD 3.28Å; T194-K198 WeakPolarHBondContact O-CG 3.24Å; T194-K198 PolarHBondContact O-N 3Å
195Y70.5Confident67.6Low41 Ų4158.8 Ų58.816%0.16134%0.344CS..Hα-helixtrans-82.5-38.1174.4-66.6-73.1000111.9I191 L192 E193 D197 H199 S243 L246I191-Y195 HydrophobicContact CG2-CD2 4.35Å; I191-Y195 HydrophobicContact CG2-CE2 3.96Å; I191-Y195 WeakPolarHBondContact O-CD2 3.47Å; L192-Y195 PolarHBondContact O-N 2.83Å; E193-Y195 PolarHBondContact O-N 3.32Å; E193-Y195 VanDerWaalsContact O-N 3.17Å; Y195-D197 VanDerWaalsContact C-N 3.34Å; Y195-D197 PolarHBondContact O-N 3.26Å; Y195-H199 WeakPolarHBondContact O-CB 3.39Å; Y195-H199 PolarHBondContact O-CD2 2.86Å; Y195-H199 PolarHBondContact O-N 3.39Å; Y195-S243 WeakPolarHBondContact CE1-OG 3.39Å; Y195-L246 HydrophobicContact CE2-CD2 3.67Å; Y195-L246 VanDerWaalsContact OH-CD2 3.29Å; Y195-L246 WeakPolarHBondContact OH-CD2 3.4Å
196W66.4Low65Low62 Ų6264.1 Ų64.124%0.23538%0.379CS..Hα-helixtrans-54-48.7171.3172.2-104.7000112.1L192 E193 H199 S200 L231 H277L192-W196 PolarHBondContact O-N 3.38Å; E193-W196 WeakPolarHBondContact O-CB 2.9Å; E193-W196 PolarHBondContact O-N 3.08Å; E193-W196 VanDerWaalsContact O-N 3.1Å; W196-H199 PolarHBondContact O-N 2.98Å; W196-S200 PolarHBondContact O-N 3.28Å; W196-S200 VanDerWaalsContact O-N 3.08Å; W196-L231 HydrophobicContact CZ2-CB 4.39Å; W196-L231 HydrophobicContact CZ2-CD2 3.92Å; W196-H277 AromaticContact CD2-CD2 3.99Å; W196-H277 HydrophobicContact CE3-CB 4.21Å; W196-H277 AromaticContact CE3-CD2 3.16Å; W196-H277 AromaticContact CE3-CE1 3.12Å; W196-H277 AromaticContact CE3-CG 3.26Å; W196-H277 AromaticContact CE3-ND1 3.31Å; W196-H277 VanDerWaalsContact CE3-ND1 3.31Å; W196-H277 AromaticContact CE3-NE2 3.08Å; W196-H277 HydrophobicContact CH2-CB 4.2Å; W196-H277 AromaticContact CH2-CG 3.83Å; W196-H277 AromaticContact CH2-ND1 3.57Å; W196-H277 HydrophobicContact CZ3-CB 4.02Å; W196-H277 AromaticContact CZ3-CD2 3.59Å; W196-H277 AromaticContact CZ3-CE1 2.92Å; W196-H277 WeakPolarHBondContact CZ3-CE1 3.41Å; W196-H277 AromaticContact CZ3-CG 3.18Å; W196-H277 AromaticContact CZ3-ND1 2.8Å; W196-H277 WeakPolarHBondContact CZ3-ND1 3.3Å; W196-H277 AromaticContact CZ3-NE2 3.46Å; W196-H277 WeakPolarHBondContact CZ3-NE2 3.22Å
197D63.3Low62.3Low94 Ų9467.5 Ų67.550%0.50339%0.392SS..Hα-helixtrans-73.5-42.3-177.8-73.7-19.6000113.2E193 Y195 H199 S200 V201E193-D197 PolarHBondContact O-N 2.77Å; Y195-D197 VanDerWaalsContact C-N 3.34Å; Y195-D197 PolarHBondContact O-N 3.26Å; D197-H199 PolarHBondContact O-N 3.46Å; D197-S200 PolarHBondContact O-N 3.4Å; D197-V201 WeakPolarHBondContact O-CG2 3.34Å; D197-V201 PolarHBondContact O-N 3.48Å
198K57.3Low59.6Low123 Ų12371.1 Ų71.154%0.53542%0.418SS..Hα-helixtrans-56.6-32.8175.4-81.2173.7-174.6173.90112.1T194 I202T194-K198 VanDerWaalsContact O-CB 3.3Å; T194-K198 WeakPolarHBondContact O-CB 3.43Å; T194-K198 WeakPolarHBondContact O-CD 3.28Å; T194-K198 WeakPolarHBondContact O-CG 3.24Å; T194-K198 PolarHBondContact O-N 3Å; K198-I202 WeakPolarHBondContact O-CD1 3.33Å; K198-I202 WeakPolarHBondContact O-CG1 3.48Å
199H53.2Low56.6Low59 Ų5975.4 Ų75.427%0.27345%0.448SS..Hα-helixtrans-93-18.4-178.8-68.7-61.9000114.2Y195 W196 D197 A237Y195-H199 WeakPolarHBondContact O-CB 3.39Å; Y195-H199 PolarHBondContact O-CD2 2.86Å; Y195-H199 PolarHBondContact O-N 3.39Å; W196-H199 PolarHBondContact O-N 2.98Å; D197-H199 PolarHBondContact O-N 3.46Å; H199-A237 HydrophobicContact CB-CB 4.41Å
200S46.8Very low53.8Low36 Ų3680.4 Ų80.425%0.25248%0.481SS..Hα-helixtrans-71.7-32.6172.4-166.20000112.7W196 D197 Q234W196-S200 PolarHBondContact O-N 3.28Å; W196-S200 VanDerWaalsContact O-N 3.08Å; D197-S200 PolarHBondContact O-N 3.4Å; S200-Q234 PolarHBondContact OG-OE1 2.68Å
201V42.8Very low51.4Low109 Ų10985.9 Ų85.966%0.66151%0.509SS*.THydrogen-bonded Turntrans-78.6-25.1-174.3178.20000113.9D197 A203 S204D197-V201 WeakPolarHBondContact O-CG2 3.34Å; D197-V201 PolarHBondContact O-N 3.48Å; V201-A203 VanDerWaalsContact C-N 3.31Å; V201-A203 PolarHBondContact O-N 2.82Å; V201-S204 PolarHBondContact O-OG 3.3Å
202I42.7Very low49Very low134 Ų13488.3 Ų88.369%0.68753%0.528SS*.THydrogen-bonded Turntrans-80.3-8.8-174.3-59.7171.3000112.7K198 S204K198-I202 WeakPolarHBondContact O-CD1 3.33Å; K198-I202 WeakPolarHBondContact O-CG1 3.48Å; I202-S204 VanDerWaalsContact C-N 3.32Å; I202-S204 PolarHBondContact O-N 2.95Å
203A36.1Very low46.6Very low73 Ų7397.6 Ų97.660%0.60356%0.564SS**  trans-8935.8179.700000114.7V201V201-A203 VanDerWaalsContact C-N 3.31Å; V201-A203 PolarHBondContact O-N 2.82Å
204S33.1Very low44.4Very low94 Ų94103.1 Ų103.166%0.65759%0.589SS**  trans-97.283.5179.737.10000112.5V201 I202V201-S204 PolarHBondContact O-OG 3.3Å; I202-S204 VanDerWaalsContact C-N 3.32Å; I202-S204 PolarHBondContact O-N 2.95Å
205T32Very low42.6Very low129 Ų129103.4 Ų103.479%0.79159%0.594SS**  trans-164.215915841.30000112
206P35.3Very low41.3Very low119 Ų119106 Ų10677%0.77361%0.614SS**  -88.5-170.6-97.543.5-25.7000113.2
207P33.3Very low40.2Very low118 Ų118109.6 Ų109.677%0.76663%0.633SS**PPolyproline II helixtrans-71.6155.7-155.933.3-34.7000114.1
208P33.4Very low39.3Very low114 Ų114109.3 Ų109.374%0.7463%0.631SS**PPolyproline II helixtrans-77138.9-176.730.9-32.9000112.5
209S28.7Very low38.7Very low91 Ų91104.3 Ų104.364%0.63661%0.61SS**PPolyproline II helixtrans-62.1153.7167.5-51.90000111.8T211S209-T211 VanDerWaalsContact C-N 3.27Å; S209-T211 PolarHBondContact O-N 3.45Å
210P31.9Very low38.3Very low113 Ų113103 Ų10373%0.73461%0.612SS**THydrogen-bonded Turntrans-77.113-159.831.2-36.6000116.9
211T35.9Very low38.2Very low139 Ų139105.4 Ų105.485%0.85363%0.629SS**THydrogen-bonded Turntrans-96.54.4-174.626.50000115.6S209S209-T211 VanDerWaalsContact C-N 3.27Å; S209-T211 PolarHBondContact O-N 3.45Å
212S36.6Very low38.4Very low75 Ų75103.3 Ų103.352%0.52461%0.614SS.*SBendtrans-113.322.8-179.9720000114.6
213R35Very low38.9Very low196 Ų19698 Ų9874%0.7459%0.586SS**  trans-85.7-22.9-165.5-124.1175.8-177.2171.5-0.5115.7S215R213-S215 PolarHBondContact O-N 3.08Å
214E36.8Very low39.2Very low180 Ų180103.4 Ų103.484%0.84160%0.599SS**SBendtrans-80.7-14.2-168.7-69.4176.3168.400115.6
215S42.9Very low39.6Very low73 Ų73102.5 Ų102.551%0.5160%0.604SS.*SBendtrans-108.8-7.7-174.1480000115.4R213R213-S215 PolarHBondContact O-N 3.08Å
216V43Very low40.1Very low96 Ų9698.8 Ų98.858%0.58258%0.584SS**Hα-helixtrans-75.6-15.8170.8-178.90000110.7G220V216-G220 PolarHBondContact O-N 2.84Å
217E43.4Very low40.6Very low136 Ų136101.3 Ų101.364%0.63659%0.585SS**Hα-helixtrans-76.7-33.4-174.6-72.5-177.2163.300113.9G220 S221E217-G220 CarbonylContact O-C 3.56Å; E217-G220 PolarHBondContact O-N 3.15Å; E217-S221 WeakPolarHBondContact O-CA 3.1Å; E217-S221 WeakPolarHBondContact O-CB 3.41Å; E217-S221 PolarHBondContact O-N 3.15Å; E217-S221 PolarHBondContact O-OG 3.39Å
218L45.1Very low41.1Very low89 Ų8998.6 Ų98.647%0.46656%0.56SS.*Hα-helixtrans-70.6-49.1-176.4-106.3153.9000113.9G220 S221 L222L218-G220 VanDerWaalsContact C-N 3.31Å; L218-S221 PolarHBondContact O-N 3.08Å; L218-S221 PolarHBondContact O-OG 3.39Å; L218-L222 HydrophobicContact CD2-CD1 3.71Å; L218-L222 HydrophobicContact CD2-CG 4.44Å; L218-L222 VanDerWaalsContact O-CB 3.27Å; L218-L222 WeakPolarHBondContact O-CB 3.39Å; L218-L222 WeakPolarHBondContact O-CD1 3.05Å; L218-L222 VanDerWaalsContact O-CG 3.31Å; L218-L222 WeakPolarHBondContact O-CG 3.27Å; L218-L222 PolarHBondContact O-N 2.61Å
219L45.8Very low41.7Very low17 Ų1794 Ų949%0.08953%0.531CS..Hα-helixtrans-69.2-30.3173.8-103.3149.6000111.9F223 F365L219-F223 HydrophobicContact CD2-CD2 3.86Å; L219-F223 HydrophobicContact CD2-CE2 4.03Å; L219-F223 WeakPolarHBondContact O-CB 3.39Å; L219-F223 WeakPolarHBondContact O-CD2 3.01Å; L219-F223 PolarHBondContact O-N 3.02Å; L219-F365 HydrophobicContact CD1-CD2 3.93Å
220G43.8Very low42.6Very low31 Ų3197.6 Ų97.632%0.3254%0.535SS..Hα-helixtrans-78.4-27.717600000114.3V216 E217 L218V216-G220 PolarHBondContact O-N 2.84Å; E217-G220 CarbonylContact O-C 3.56Å; E217-G220 PolarHBondContact O-N 3.15Å; L218-G220 VanDerWaalsContact C-N 3.31Å
221S45.6Very low43.5Very low87 Ų8794.7 Ų94.761%0.60851%0.513SS*.Hα-helixtrans-88.3-36.3179.174.40000112.4E217 L218E217-S221 WeakPolarHBondContact O-CA 3.1Å; E217-S221 WeakPolarHBondContact O-CB 3.41Å; E217-S221 PolarHBondContact O-N 3.15Å; E217-S221 PolarHBondContact O-OG 3.39Å; L218-S221 PolarHBondContact O-N 3.08Å; L218-S221 PolarHBondContact O-OG 3.39Å
222L47.2Very low44.3Very low65 Ų6588.6 Ų88.634%0.3448%0.475SS..Hα-helixtrans-76.4-32.8176.9-72.4164.3000112.4L218 E419L218-L222 HydrophobicContact CD2-CD1 3.71Å; L218-L222 HydrophobicContact CD2-CG 4.44Å; L218-L222 VanDerWaalsContact O-CB 3.27Å; L218-L222 WeakPolarHBondContact O-CB 3.39Å; L218-L222 WeakPolarHBondContact O-CD1 3.05Å; L218-L222 VanDerWaalsContact O-CG 3.31Å; L218-L222 WeakPolarHBondContact O-CG 3.27Å; L218-L222 PolarHBondContact O-N 2.61Å; L222-E419 WeakPolarHBondContact CD1-OE2 3.27Å
223F52.6Low44.9Very low22 Ų2288.6 Ų88.610%0.09647%0.474CS..THydrogen-bonded Turntrans-119.291178.8-54.8-78.1000109L219 G225 F360 Q361L219-F223 HydrophobicContact CD2-CD2 3.86Å; L219-F223 HydrophobicContact CD2-CE2 4.03Å; L219-F223 WeakPolarHBondContact O-CB 3.39Å; L219-F223 WeakPolarHBondContact O-CD2 3.01Å; L219-F223 PolarHBondContact O-N 3.02Å; F223-G225 PolarHBondContact O-N 3.14Å; F223-F360 HydrophobicContact CE1-CD1 4.44Å; F223-F360 AromaticContact CE1-CE1 3.69Å; F223-F360 HydrophobicContact CE1-CE1 3.69Å; F223-F360 HydrophobicContact CE1-CZ 4.49Å; F223-F360 HydrophobicContact CZ-CD1 4.46Å; F223-F360 AromaticContact CZ-CE1 3.49Å; F223-F360 HydrophobicContact CZ-CE1 3.49Å; F223-F360 VanDerWaalsContact CZ-CE1 3.49Å; F223-F360 AromaticContact CZ-CZ 3.86Å; F223-F360 HydrophobicContact CZ-CZ 3.86Å; F223-Q361 HydrophobicContact CD1-CG 4Å; F223-Q361 HydrophobicContact CE1-CG 3.61Å; F223-Q361 HydrophobicContact CZ-CG 3.92Å
224Q41.7Very low45.9Very low188 Ų18882.9 Ų82.988%0.87946%0.456SS*.THydrogen-bonded Turntrans-30.894.7178.8-72.3176.2-7.300112.9S226Q224-S226 PolarHBondContact O-N 3.32Å
225G42.4Very low46.7Very low74 Ų7479.3 Ų79.376%0.76345%0.448SS*.THydrogen-bonded Turntrans33.938.3161.500000119.1F223F223-G225 PolarHBondContact O-N 3.14Å
226S42.8Very low47.6Very low52 Ų5277.2 Ų77.236%0.36443%0.431SS..  trans-77.5141.817883.10000109.8Q224 Y228 S229Q224-S226 PolarHBondContact O-N 3.32Å; S226-Y228 PolarHBondContact O-N 3.13Å; S226-Y228 WeakPolarHBondContact OG-CB 3.33Å; S226-S229 PolarHBondContact O-N 3.03Å; S226-S229 VanDerWaalsContact O-N 3.07Å
227Q44.3Very low48.4Very low171 Ų17174.8 Ų74.880%0.79942%0.421SS*.Hα-helixtrans-52.2-23175.4-69.3-179.71.300112.5K230 L231Q227-K230 PolarHBondContact O-N 3Å; Q227-L231 PolarHBondContact O-N 3.27Å
228Y44.4Very low49.3Very low62 Ų6271.2 Ų71.224%0.24342%0.415CS..Hα-helixtrans-67.8-35.6179.3-153.2-98.5000114.1S226 K230 L231 L232 A273 Q362S226-Y228 PolarHBondContact O-N 3.13Å; S226-Y228 WeakPolarHBondContact OG-CB 3.33Å; Y228-K230 VanDerWaalsContact C-N 3.29Å; Y228-K230 PolarHBondContact O-N 2.93Å; Y228-L231 PolarHBondContact O-N 3.11Å; Y228-L232 HydrophobicContact CD1-CD1 4.02Å; Y228-L232 HydrophobicContact CD1-CG 4.47Å; Y228-L232 HydrophobicContact CE1-CD1 4.17Å; Y228-L232 HydrophobicContact CE1-CG 4.5Å; Y228-L232 PolarHBondContact O-N 2.95Å; Y228-L232 VanDerWaalsContact O-N 3.1Å; Y228-A273 HydrophobicContact CE2-CB 4.37Å; Y228-A273 WeakPolarHBondContact OH-CA 3.45Å; Y228-A273 WeakPolarHBondContact OH-CB 3.2Å; Y228-Q362 PolarHBondContact OH-NE2 3.16Å
229S45.7Very low50.5Low17 Ų1768.3 Ų68.312%0.11940%0.399CS..Hα-helixtrans-65.2-32.3176.7179.50000112.4S226 L232 C233S226-S229 PolarHBondContact O-N 3.03Å; S226-S229 VanDerWaalsContact O-N 3.07Å; S229-L232 PolarHBondContact O-N 3.3Å; S229-C233 PolarHBondContact O-SG 3.32Å
230K47.6Very low52Low166 Ų16671.1 Ų71.172%0.72241%0.414SS*.Hα-helixtrans-70.7-36.5175.2-67.3-179.6-179.9175.60112.5Q227 Y228 C233Q227-K230 PolarHBondContact O-N 3Å; Y228-K230 VanDerWaalsContact C-N 3.29Å; Y228-K230 PolarHBondContact O-N 2.93Å; K230-C233 PolarHBondContact O-N 3.39Å
231L50.8Low53.5Low52 Ų5275.1 Ų75.127%0.27243%0.429SS..Hα-helixtrans-67.5-35.1174.2-81.2148.8000112.1W196 Q227 Y228 C233 Q234W196-L231 HydrophobicContact CZ2-CB 4.39Å; W196-L231 HydrophobicContact CZ2-CD2 3.92Å; Q227-L231 PolarHBondContact O-N 3.27Å; Y228-L231 PolarHBondContact O-N 3.11Å; L231-C233 PolarHBondContact O-N 3.04Å; L231-Q234 PolarHBondContact O-N 2.7Å
232L52.8Low55Low11 Ų1178.5 Ų78.56%0.05844%0.435CS..Hα-helixtrans-66.9-16174.3-74.7169.2000113.9Y228 S229 R280 F365Y228-L232 HydrophobicContact CD1-CD1 4.02Å; Y228-L232 HydrophobicContact CD1-CG 4.47Å; Y228-L232 HydrophobicContact CE1-CD1 4.17Å; Y228-L232 HydrophobicContact CE1-CG 4.5Å; Y228-L232 PolarHBondContact O-N 2.95Å; Y228-L232 VanDerWaalsContact O-N 3.1Å; S229-L232 PolarHBondContact O-N 3.3Å; L232-R280 PolarHBondContact O-NH1 3.44Å; L232-R280 PolarHBondContact O-NH2 2.99Å; L232-F365 HydrophobicContact CB-CD2 4.14Å; L232-F365 HydrophobicContact CB-CE2 3.99Å; L232-F365 HydrophobicContact CB-CZ 4.47Å; L232-F365 HydrophobicContact CD2-CD1 4.31Å; L232-F365 HydrophobicContact CD2-CG 4.38Å; L232-F365 WeakPolarHBondContact O-CE2 3.38Å; L232-F365 WeakPolarHBondContact O-CZ 3.42Å
233C48.9Very low56.6Low76 Ų7675.8 Ų75.851%0.51442%0.421SS..THydrogen-bonded Turntrans-101.4-0.6-178.5-69.10000114.6S229 K230 L231S229-C233 PolarHBondContact O-SG 3.32Å; K230-C233 PolarHBondContact O-N 3.39Å; L231-C233 PolarHBondContact O-N 3.04Å
234Q56.4Low58.2Low75 Ų7575.5 Ų75.535%0.3542%0.42SS..SBendtrans-74.2141.9-179.2-68.7-176.4-4.300112.4S200 L231S200-Q234 PolarHBondContact OG-OE1 2.68Å; L231-Q234 PolarHBondContact O-N 2.7Å
235P53.1Low60.2Low106 Ų10671.6 Ų71.669%0.68840%0.402SS*.PPolyproline II helixtrans-69.7136.7175.727.1-31.4000111.5
236M62.6Low62.4Low29 Ų2968.7 Ų68.714%0.14337%0.369CS..PPolyproline II helixtrans-75.8127.7-178.9-54.7-70.4-67.700110.7H277 F281 D284M236-H277 WeakPolarHBondContact CE-CE1 3.15Å; M236-H277 PolarHBondContact SD-CE1 3.25Å; M236-F281 HydrophobicContact CB-CE1 4.34Å; M236-F281 HydrophobicContact CE-CD1 4.04Å; M236-F281 HydrophobicContact CE-CD2 3.27Å; M236-F281 HydrophobicContact CE-CE1 3.81Å; M236-F281 HydrophobicContact CE-CE2 3.01Å; M236-F281 HydrophobicContact CE-CG 3.8Å; M236-F281 HydrophobicContact CE-CZ 3.31Å; M236-D284 WeakPolarHBondContact CG-OD2 3.36Å
237A59.7Low64.6Low44 Ų4466.2 Ų66.236%0.36435%0.351SS..PPolyproline II helixtrans-76.5157172.900000111.4H199H199-A237 HydrophobicContact CB-CB 4.41Å
238A62.5Low66.9Low62 Ų6258.1 Ų58.151%0.51231%0.314SS..PPolyproline II helixtrans-72.2131.3170.600000109.8
239L69.6Low69.1Low27 Ų2756.2 Ų56.214%0.14131%0.308CS..PPolyproline II helixtrans-78.1141.4171.2-66.1164.7000108.9H244 F281 I331L239-H244 HydrophobicContact CB-CB 4.21Å; L239-F281 HydrophobicContact CD1-CE1 4.03Å; L239-F281 HydrophobicContact CD1-CE2 4.27Å; L239-F281 HydrophobicContact CD1-CZ 3.73Å; L239-F281 HydrophobicContact CG-CE1 4.25Å; L239-F281 HydrophobicContact CG-CZ 4Å; L239-I331 HydrophobicContact CD1-CD1 3.42Å; L239-I331 VanDerWaalsContact CD1-CD1 3.42Å
240D76.9Confident71.4Confident76 Ų7655.4 Ų55.441%0.40630%0.302SS..PPolyproline II helixtrans-70.9157.8165.361.9-61.9000110.7E242 S243 H244D240-E242 VanDerWaalsContact C-N 3.26Å; D240-E242 PolarHBondContact O-N 3.49Å; D240-S243 VanDerWaalsContact CG-OG 3.24Å; D240-S243 PolarHBondContact O-N 2.85Å; D240-S243 WeakPolarHBondContact OD1-CB 3.46Å; D240-S243 PolarHBondContact OD1-OG 3.06Å; D240-S243 PolarHBondContact OD2-N 3.26Å; D240-S243 PolarHBondContact OD2-OG 3.36Å; D240-H244 WeakPolarHBondContact O-CB 3.5Å; D240-H244 PolarHBondContact O-N 3.13Å
241N75.7Confident73.6Confident116 Ų11647.5 Ų47.562%0.6227%0.268SS*.Hα-helixtrans-58.2-35.4-173.1-73.54.9000113.4Q245N241-Q245 WeakPolarHBondContact O-CB 3.24Å; N241-Q245 PolarHBondContact O-N 3.36Å; N241-Q245 VanDerWaalsContact O-N 3.08Å
242E77.6Confident75.7Confident157 Ų15746.8 Ų46.873%0.73426%0.263SS*.Hα-helixtrans-70.5-48179.5-64.1-172.1170.700111.2D240 H244 Q245 L246D240-E242 VanDerWaalsContact C-N 3.26Å; D240-E242 PolarHBondContact O-N 3.49Å; E242-H244 VanDerWaalsContact C-N 3.32Å; E242-H244 PolarHBondContact O-N 3.03Å; E242-Q245 PolarHBondContact O-N 3.45Å; E242-L246 WeakPolarHBondContact O-CB 3.45Å; E242-L246 PolarHBondContact O-N 3.12Å
243S81.3Confident77.6Confident8 Ų846.4 Ų46.46%0.05626%0.261CS..Hα-helixtrans-63.4-37.7175.4-55.80000112.5Y195 D240 L246 C247Y195-S243 WeakPolarHBondContact CE1-OG 3.39Å; D240-S243 VanDerWaalsContact CG-OG 3.24Å; D240-S243 PolarHBondContact O-N 2.85Å; D240-S243 WeakPolarHBondContact OD1-CB 3.46Å; D240-S243 PolarHBondContact OD1-OG 3.06Å; D240-S243 PolarHBondContact OD2-N 3.26Å; D240-S243 PolarHBondContact OD2-OG 3.36Å; S243-L246 PolarHBondContact O-N 2.76Å; S243-C247 WeakPolarHBondContact O-CB 3.43Å; S243-C247 PolarHBondContact O-N 2.98Å; S243-C247 PolarHBondContact O-SG 2.84Å
244H84.5Confident79.7Confident17 Ų1742.8 Ų42.88%0.07924%0.237CC..Hα-helixtrans-59.1-52.3175.2171.678.3000111.3L239 D240 E242 L246 C247 C248 D327 I331L239-H244 HydrophobicContact CB-CB 4.21Å; D240-H244 WeakPolarHBondContact O-CB 3.5Å; D240-H244 PolarHBondContact O-N 3.13Å; E242-H244 VanDerWaalsContact C-N 3.32Å; E242-H244 PolarHBondContact O-N 3.03Å; H244-L246 VanDerWaalsContact C-N 3.3Å; H244-L246 PolarHBondContact O-N 2.97Å; H244-C247 PolarHBondContact O-N 3.5Å; H244-C248 PolarHBondContact O-N 2.78Å; H244-C248 PolarHBondContact O-SG 3.29Å; H244-C248 VanDerWaalsContact O-SG 3.42Å; H244-D327 PolarHBondContact CE1-O 2.98Å; H244-D327 IonicContact NE2-OD1 2.7Å; H244-I331 HydrophobicContact CB-CD1 4.49Å; H244-I331 WeakPolarHBondContact ND1-CD1 3.49Å
245Q85.1Confident81.4Confident105 Ų10540 Ų4049%0.49123%0.226SC..Hα-helixtrans-61.8-39.7179.2-175.8175.57.700111.8N241 E242 C248 L249N241-Q245 WeakPolarHBondContact O-CB 3.24Å; N241-Q245 PolarHBondContact O-N 3.36Å; N241-Q245 VanDerWaalsContact O-N 3.08Å; E242-Q245 PolarHBondContact O-N 3.45Å; Q245-C248 PolarHBondContact O-N 3.03Å; Q245-L249 HydrophobicContact CG-CD1 4.5Å; Q245-L249 WeakPolarHBondContact O-CG 3.22Å; Q245-L249 PolarHBondContact O-N 3.36Å; Q245-L249 VanDerWaalsContact O-N 3.12Å
246L88.1Confident83.2Confident13 Ų1337 Ų377%0.06820%0.203CC..Hα-helixtrans-65.6-45.3179-168.773.1000111.9A144 P145 L148 I191 Y195 E242 S243 H244 C248 L249 V250A144-L246 HydrophobicContact CB-CD1 3.85Å; P145-L246 HydrophobicContact CG-CD1 3.93Å; L148-L246 HydrophobicContact CD1-CD1 3.51Å; L148-L246 HydrophobicContact CD1-CG 4.19Å; I191-L246 HydrophobicContact CG2-CD2 3.9Å; I191-L246 HydrophobicContact CG2-CG 4.24Å; Y195-L246 HydrophobicContact CE2-CD2 3.67Å; Y195-L246 VanDerWaalsContact OH-CD2 3.29Å; Y195-L246 WeakPolarHBondContact OH-CD2 3.4Å; E242-L246 WeakPolarHBondContact O-CB 3.45Å; E242-L246 PolarHBondContact O-N 3.12Å; S243-L246 PolarHBondContact O-N 2.76Å; H244-L246 VanDerWaalsContact C-N 3.3Å; H244-L246 PolarHBondContact O-N 2.97Å; L246-C248 PolarHBondContact O-N 3.38Å; L246-L249 PolarHBondContact O-N 3.43Å; L246-V250 WeakPolarHBondContact O-CG2 3.45Å; L246-V250 PolarHBondContact O-N 3.38Å
247C89.7Confident84.6Confident0 Ų036.1 Ų36.10%020%0.199CC..Hα-helixtrans-63-40.9176.9-66.40000111.9L192 S243 H244 L249 V250 L251 F278 I331L192-C247 HydrophobicContact CD2-CB 4.44Å; S243-C247 WeakPolarHBondContact O-CB 3.43Å; S243-C247 PolarHBondContact O-N 2.98Å; S243-C247 PolarHBondContact O-SG 2.84Å; H244-C247 PolarHBondContact O-N 3.5Å; C247-L249 PolarHBondContact O-N 3.29Å; C247-V250 PolarHBondContact O-N 3.49Å; C247-L251 WeakPolarHBondContact O-CG 3.49Å; C247-L251 PolarHBondContact O-N 3.49Å; C247-F278 HydrophobicContact CB-CE1 4.13Å; C247-I331 HydrophobicContact CB-CD1 4.34Å
248C91.1Very high86.1Confident2 Ų234 Ų341%0.01418%0.182CC..Hα-helixtrans-56.2-48.5173.5-75.50000111.6H244 Q245 L246 V250 L251 E252 I331 L334H244-C248 PolarHBondContact O-N 2.78Å; H244-C248 PolarHBondContact O-SG 3.29Å; H244-C248 VanDerWaalsContact O-SG 3.42Å; Q245-C248 PolarHBondContact O-N 3.03Å; L246-C248 PolarHBondContact O-N 3.38Å; C248-V250 VanDerWaalsContact C-N 3.34Å; C248-V250 PolarHBondContact O-N 3.38Å; C248-L251 PolarHBondContact O-N 2.84Å; C248-E252 WeakPolarHBondContact O-CB 3.39Å; C248-E252 WeakPolarHBondContact O-CG 3.49Å; C248-E252 PolarHBondContact O-N 3.43Å; C248-I331 WeakPolarHBondContact SG-CG1 3.49Å; C248-L334 HydrophobicContact CB-CD1 3.78Å
249L91.8Very high87.3Confident21 Ų2133.7 Ų33.711%0.1118%0.175CC..Hα-helixtrans-62.7-39.2178.6-72171.1000112.4P145 L148 V149 Q245 L246 C247 C253P145-L249 HydrophobicContact CB-CD1 3.93Å; L148-L249 HydrophobicContact CB-CB 4.02Å; L148-L249 HydrophobicContact CD1-CB 3.81Å; V149-L249 HydrophobicContact CG2-CD1 4.34Å; V149-L249 HydrophobicContact CG2-CD2 3.89Å; Q245-L249 HydrophobicContact CG-CD1 4.5Å; Q245-L249 WeakPolarHBondContact O-CG 3.22Å; Q245-L249 PolarHBondContact O-N 3.36Å; Q245-L249 VanDerWaalsContact O-N 3.12Å; L246-L249 PolarHBondContact O-N 3.43Å; C247-L249 PolarHBondContact O-N 3.29Å; L249-C253 PolarHBondContact O-N 3.25Å; L249-C253 PolarHBondContact O-SG 3.25Å
250V94.6Very high88.2Confident0 Ų033.6 Ų33.60%017%0.173CC..Hα-helixtrans-63.1-46.8175.7172.50000111.2L148 L188 I191 L192 L246 C247 C248 C253 L254L148-V250 HydrophobicContact CD1-CG2 3.57Å; L148-V250 HydrophobicContact CD2-CG2 4.01Å; L148-V250 HydrophobicContact CG-CG2 4.47Å; L188-V250 HydrophobicContact CB-CG1 3.91Å; L188-V250 HydrophobicContact CD2-CG1 4.05Å; L188-V250 HydrophobicContact CD2-CG2 4.19Å; L188-V250 HydrophobicContact CG-CG1 4.45Å; I191-V250 HydrophobicContact CB-CG2 4.28Å; I191-V250 HydrophobicContact CD1-CG2 4.34Å; I191-V250 HydrophobicContact CG2-CG2 3.86Å; L192-V250 HydrophobicContact CD1-CG1 3.92Å; L192-V250 HydrophobicContact CD2-CB 4.13Å; L192-V250 HydrophobicContact CD2-CG1 3.82Å; L192-V250 HydrophobicContact CG-CG1 3.71Å; L246-V250 WeakPolarHBondContact O-CG2 3.45Å; L246-V250 PolarHBondContact O-N 3.38Å; C247-V250 PolarHBondContact O-N 3.49Å; C248-V250 VanDerWaalsContact C-N 3.34Å; C248-V250 PolarHBondContact O-N 3.38Å; V250-C253 WeakPolarHBondContact O-CB 3.14Å; V250-C253 PolarHBondContact O-N 3.44Å; V250-L254 HydrophobicContact CG1-CD1 3.95Å; V250-L254 HydrophobicContact CG1-CG 4.36Å; V250-L254 WeakPolarHBondContact O-CG 3.43Å; V250-L254 PolarHBondContact O-N 3.45Å
251L93.6Very high88.8Confident0 Ų030.1 Ų30.10%015%0.154CC..Hα-helixtrans-64.8-40.6179-67.2169.7000111.6L192 C247 C248 C253 L254 A255 F278 I331 L334 A335 C338L192-L251 HydrophobicContact CD1-CD2 4.43Å; C247-L251 WeakPolarHBondContact O-CG 3.49Å; C247-L251 PolarHBondContact O-N 3.49Å; C248-L251 PolarHBondContact O-N 2.84Å; L251-C253 VanDerWaalsContact C-N 3.32Å; L251-C253 PolarHBondContact O-N 2.95Å; L251-L254 HydrophobicContact CD2-CD1 4.49Å; L251-L254 PolarHBondContact O-N 3.3Å; L251-A255 WeakPolarHBondContact O-CB 3.47Å; L251-A255 PolarHBondContact O-N 3.14Å; L251-F278 HydrophobicContact CD1-CB 4.24Å; L251-I331 HydrophobicContact CD1-CG2 4.22Å; L251-L334 HydrophobicContact CB-CB 3.93Å; L251-L334 HydrophobicContact CD1-CB 4.14Å; L251-A335 HydrophobicContact CD1-CB 3.97Å; L251-A335 HydrophobicContact CD2-CB 4.16Å; L251-C338 PolarHBondContact O-SG 3.36Å
252E93.4Very high89.2Confident38 Ų3827.4 Ų27.418%0.17814%0.143CC..Hα-helixtrans-59.7-41.2172.8-73.7177.7-158.800112.1K152 C248 H256 R330 L334K152-E252 HydrophobicContact CD-CB 4.22Å; K152-E252 IonicContact NZ-OE2 3.65Å; K152-E252 PolarHBondContact NZ-OE2 3.4Å; C248-E252 WeakPolarHBondContact O-CB 3.39Å; C248-E252 WeakPolarHBondContact O-CG 3.49Å; C248-E252 PolarHBondContact O-N 3.43Å; E252-H256 PolarHBondContact O-N 3.47Å; E252-R330 IonicContact OE1-NH2 3.64Å; E252-R330 PolarHBondContact OE1-NH2 2.69Å; E252-L334 HydrophobicContact CG-CD1 4.09Å; E252-L334 HydrophobicContact CG-CD2 3.72Å
253C93.6Very high89.3Confident2 Ų220.2 Ų20.21%0.01411%0.11CC..Hα-helixtrans-63.1-47.1174.1-670000111.4L148 L188 L249 V250 L251 H256 L257L148-C253 PolarHBondContact O-SG 2.82Å; L188-C253 HydrophobicContact CD1-CB 4.04Å; L249-C253 PolarHBondContact O-N 3.25Å; L249-C253 PolarHBondContact O-SG 3.25Å; V250-C253 WeakPolarHBondContact O-CB 3.14Å; V250-C253 PolarHBondContact O-N 3.44Å; L251-C253 VanDerWaalsContact C-N 3.32Å; L251-C253 PolarHBondContact O-N 2.95Å; C253-H256 PolarHBondContact O-N 3.5Å; C253-L257 WeakPolarHBondContact O-CB 3.43Å; C253-L257 VanDerWaalsContact O-CG 3.24Å; C253-L257 WeakPolarHBondContact O-CG 3.29Å; C253-L257 PolarHBondContact O-N 3.49Å
254L93.3Very high89Confident0 Ų022.1 Ų22.10%012%0.123CC..Hα-helixtrans-62.1-45.3-179.6-73.8171.5000111.8L185 L188 L192 V250 L251 H256 L257 F258 L271 I275L185-L254 HydrophobicContact CD2-CD2 3.67Å; L188-L254 HydrophobicContact CB-CD2 4.14Å; L188-L254 HydrophobicContact CB-CG 4.44Å; L188-L254 HydrophobicContact CD1-CD2 3.72Å; L188-L254 HydrophobicContact CD1-CG 4Å; L192-L254 HydrophobicContact CD1-CD1 3.89Å; V250-L254 HydrophobicContact CG1-CD1 3.95Å; V250-L254 HydrophobicContact CG1-CG 4.36Å; V250-L254 WeakPolarHBondContact O-CG 3.43Å; V250-L254 PolarHBondContact O-N 3.45Å; L251-L254 HydrophobicContact CD2-CD1 4.49Å; L251-L254 PolarHBondContact O-N 3.3Å; L254-H256 VanDerWaalsContact C-N 3.34Å; L254-H256 PolarHBondContact O-N 2.9Å; L254-L257 PolarHBondContact O-N 3.11Å; L254-F258 HydrophobicContact CB-CE2 4.1Å; L254-F258 HydrophobicContact CB-CZ 4.29Å; L254-F258 HydrophobicContact CD2-CE1 4.44Å; L254-F258 HydrophobicContact CD2-CZ 4.08Å; L254-F258 WeakPolarHBondContact O-CB 3.39Å; L254-F258 VanDerWaalsContact O-CD2 3.27Å; L254-F258 WeakPolarHBondContact O-CD2 3.46Å; L254-F258 WeakPolarHBondContact O-CG 3.5Å; L254-F258 PolarHBondContact O-N 3.31Å; L254-L271 HydrophobicContact CD1-CD1 3.89Å; L254-L271 HydrophobicContact CD2-CD1 4.02Å; L254-L271 HydrophobicContact CD2-CD2 4.45Å; L254-I275 HydrophobicContact CD1-CD1 4.4Å; L254-I275 HydrophobicContact CD1-CG1 4.28Å
255A91.5Very high88.4Confident16 Ų1626.4 Ų26.413%0.13215%0.151CC..Hα-helixtrans-56.1-48.6176.600000111.3L251 F258 S259 T337L251-A255 WeakPolarHBondContact O-CB 3.47Å; L251-A255 PolarHBondContact O-N 3.14Å; A255-F258 PolarHBondContact O-N 3.47Å; A255-S259 PolarHBondContact O-N 3.35Å; A255-T337 HydrophobicContact CB-CG2 4.41Å
256H91.8Very high88Confident45 Ų4522.5 Ų22.521%0.20814%0.135CC..Hα-helixtrans-67.2-41178.7-172.5-89.5000112.3S155 E156 E252 C253 L254 F258 S259 W260S155-H256 PolarHBondContact O-CE1 3.37Å; S155-H256 PolarHBondContact OG-CE1 3.29Å; S155-H256 PolarHBondContact OG-ND1 3.38Å; E156-H256 VanDerWaalsContact CA-CE1 3.42Å; E156-H256 WeakPolarHBondContact CA-CE1 3.48Å; E156-H256 PolarHBondContact N-CE1 3.13Å; E252-H256 PolarHBondContact O-N 3.47Å; C253-H256 PolarHBondContact O-N 3.5Å; L254-H256 VanDerWaalsContact C-N 3.34Å; L254-H256 PolarHBondContact O-N 2.9Å; H256-F258 VanDerWaalsContact C-N 3.34Å; H256-F258 PolarHBondContact O-N 3.28Å; H256-S259 WeakPolarHBondContact O-CB 3.26Å; H256-S259 PolarHBondContact O-N 3.17Å; H256-S259 PolarHBondContact O-OG 3.04Å; H256-W260 AromaticContact ND1-NE1 3.97Å; H256-W260 VanDerWaalsContact O-CD1 3.23Å
257L91.6Very high87.5Confident10 Ų1022.8 Ų22.85%0.05214%0.137CC..Hα-helixtrans-58.9-44.8175.5-73.3170.1000111.6V184 L185 L188 C253 L254 S259 W260 I261V184-L257 HydrophobicContact CG1-CD1 3.85Å; L185-L257 HydrophobicContact CD2-CD1 4.31Å; L188-L257 HydrophobicContact CD1-CD1 3.79Å; C253-L257 WeakPolarHBondContact O-CB 3.43Å; C253-L257 VanDerWaalsContact O-CG 3.24Å; C253-L257 WeakPolarHBondContact O-CG 3.29Å; C253-L257 PolarHBondContact O-N 3.49Å; L254-L257 PolarHBondContact O-N 3.11Å; L257-S259 PolarHBondContact O-N 3.29Å; L257-W260 HydrophobicContact CD2-CZ2 3.58Å; L257-W260 PolarHBondContact O-N 3.27Å; L257-I261 WeakPolarHBondContact O-CG1 3.49Å; L257-I261 WeakPolarHBondContact O-CG2 3.43Å; L257-I261 PolarHBondContact O-N 2.82Å; L257-I261 VanDerWaalsContact O-N 3.1Å
258F89.9Confident87Confident0 Ų025.7 Ų25.70%015%0.154CC..Hα-helixtrans-62.1-25.1179.5-63.6-25.3000113.6L185 L254 A255 H256 W260 I261 L263 L271 I275 C338 E341 L342 K345L185-F258 HydrophobicContact CD2-CE1 4.3Å; L254-F258 HydrophobicContact CB-CE2 4.1Å; L254-F258 HydrophobicContact CB-CZ 4.29Å; L254-F258 HydrophobicContact CD2-CE1 4.44Å; L254-F258 HydrophobicContact CD2-CZ 4.08Å; L254-F258 WeakPolarHBondContact O-CB 3.39Å; L254-F258 VanDerWaalsContact O-CD2 3.27Å; L254-F258 WeakPolarHBondContact O-CD2 3.46Å; L254-F258 WeakPolarHBondContact O-CG 3.5Å; L254-F258 PolarHBondContact O-N 3.31Å; A255-F258 PolarHBondContact O-N 3.47Å; H256-F258 VanDerWaalsContact C-N 3.34Å; H256-F258 PolarHBondContact O-N 3.28Å; F258-W260 VanDerWaalsContact C-N 3.28Å; F258-W260 PolarHBondContact O-N 3.15Å; F258-I261 HydrophobicContact CD1-CD1 3.85Å; F258-I261 HydrophobicContact CD1-CG1 4.45Å; F258-I261 HydrophobicContact CE1-CD1 4.28Å; F258-L263 HydrophobicContact CB-CD2 4.22Å; F258-L263 HydrophobicContact CD1-CD2 3.58Å; F258-L263 HydrophobicContact CE1-CD2 4.28Å; F258-L263 HydrophobicContact CG-CD2 4.14Å; F258-L271 HydrophobicContact CE1-CD2 4.16Å; F258-L271 HydrophobicContact CZ-CD2 3.91Å; F258-L271 HydrophobicContact CZ-CG 4.4Å; F258-I275 HydrophobicContact CE2-CD1 3.63Å; F258-I275 HydrophobicContact CZ-CD1 3.79Å; F258-C338 HydrophobicContact CD2-CB 4.31Å; F258-C338 HydrophobicContact CE2-CB 4.14Å; F258-E341 HydrophobicContact CB-CB 3.95Å; F258-L342 HydrophobicContact CB-CD2 4.46Å; F258-L342 HydrophobicContact CD1-CD2 3.83Å; F258-L342 HydrophobicContact CD2-CD1 4.1Å; F258-L342 HydrophobicContact CD2-CD2 3.59Å; F258-L342 HydrophobicContact CD2-CG 3.54Å; F258-L342 HydrophobicContact CE1-CD2 3.86Å; F258-L342 HydrophobicContact CE2-CD1 3.61Å; F258-L342 HydrophobicContact CE2-CD2 3.63Å; F258-L342 HydrophobicContact CE2-CG 3.58Å; F258-L342 HydrophobicContact CG-CD2 3.7Å; F258-L342 HydrophobicContact CG-CG 4.11Å; F258-L342 HydrophobicContact CZ-CD1 4.11Å; F258-L342 HydrophobicContact CZ-CD2 3.75Å; F258-L342 HydrophobicContact CZ-CG 4.18Å; F258-K345 VanDerWaalsContact O-CE 3.23Å; F258-K345 WeakPolarHBondContact O-CE 3.49Å; F258-K345 PolarHBondContact O-NZ 2.75Å
259S89.2Confident86.2Confident54 Ų5427 Ų2738%0.37816%0.163SC..Hα-helixtrans-62-29.9177.177.20000113.6A255 H256 L257 K345A255-S259 PolarHBondContact O-N 3.35Å; H256-S259 WeakPolarHBondContact O-CB 3.26Å; H256-S259 PolarHBondContact O-N 3.17Å; H256-S259 PolarHBondContact O-OG 3.04Å; L257-S259 PolarHBondContact O-N 3.29Å; S259-K345 PolarHBondContact O-NZ 2.85Å
260W88.3Confident85.5Confident25 Ų2529.2 Ų29.210%0.09518%0.177CC..Hα-helixtrans-127.1-18.1-172.865.2-94.5000116.2S155 A159 R174 L177 L178 V181 H256 L257 F258S155-W260 PolarHBondContact OG-NE1 3.38Å; A159-W260 HydrophobicContact CB-CD2 3.5Å; A159-W260 VanDerWaalsContact CB-CD2 3.5Å; A159-W260 HydrophobicContact CB-CE3 3.96Å; A159-W260 HydrophobicContact CB-CG 3.91Å; A159-W260 HydrophobicContact CB-CH2 4.09Å; A159-W260 HydrophobicContact CB-CZ2 3.61Å; A159-W260 HydrophobicContact CB-CZ3 4.23Å; R174-W260 PolarHBondContact NH2-O 3.48Å; L177-W260 HydrophobicContact CB-CH2 3.92Å; L177-W260 HydrophobicContact CD1-CH2 4.34Å; L178-W260 HydrophobicContact CD2-CE3 4.49Å; L178-W260 HydrophobicContact CD2-CZ3 3.77Å; L178-W260 HydrophobicContact CG-CZ3 4.12Å; V181-W260 HydrophobicContact CG2-CH2 3.94Å; H256-W260 AromaticContact ND1-NE1 3.97Å; H256-W260 VanDerWaalsContact O-CD1 3.23Å; L257-W260 HydrophobicContact CD2-CZ2 3.58Å; L257-W260 PolarHBondContact O-N 3.27Å; F258-W260 VanDerWaalsContact C-N 3.28Å; F258-W260 PolarHBondContact O-N 3.15Å
261I88.9Confident85Confident3 Ų329.2 Ų29.22%0.01518%0.177CC..SBendtrans-73.9151.5179.669.9178.4000112.5V181 L185 L257 F258 L263V181-I261 HydrophobicContact CG1-CD1 4.21Å; V181-I261 HydrophobicContact CG1-CG2 4.26Å; V181-I261 HydrophobicContact CG2-CG2 3.78Å; L185-I261 HydrophobicContact CD1-CD1 4.17Å; L257-I261 WeakPolarHBondContact O-CG1 3.49Å; L257-I261 WeakPolarHBondContact O-CG2 3.43Å; L257-I261 PolarHBondContact O-N 2.82Å; L257-I261 VanDerWaalsContact O-N 3.1Å; F258-I261 HydrophobicContact CD1-CD1 3.85Å; F258-I261 HydrophobicContact CD1-CG1 4.45Å; F258-I261 HydrophobicContact CE1-CD1 4.28Å; I261-L263 HydrophobicContact CD1-CD2 3.87Å; I261-L263 HydrophobicContact CG1-CD2 3.64Å; I261-L263 HydrophobicContact CG1-CG 4.44Å; I261-L263 PolarHBondContact O-N 2.9Å; I261-L263 VanDerWaalsContact O-N 3.11Å
262P84.9Confident84.4Confident59 Ų5929.3 Ų29.338%0.38318%0.178SC..  trans-71.5100.6167.729.1-32.6000110.1L178 S264 T265 S266L178-P262 HydrophobicContact CD2-CG 3.98Å; P262-S264 PolarHBondContact O-N 3.33Å; P262-T265 PolarHBondContact O-OG1 3.22Å; P262-S266 WeakPolarHBondContact O-CB 3.45Å; P262-S266 PolarHBondContact O-OG 3.49Å
263L79.6Confident83.8Confident6 Ų628.5 Ų28.53%0.03118%0.177CC..Hα-helixtrans-66.7-30.6-173.9-73.1-174.4000114.4F258 I261 T265 S266 I267 L342 K345 C347F258-L263 HydrophobicContact CB-CD2 4.22Å; F258-L263 HydrophobicContact CD1-CD2 3.58Å; F258-L263 HydrophobicContact CE1-CD2 4.28Å; F258-L263 HydrophobicContact CG-CD2 4.14Å; I261-L263 HydrophobicContact CD1-CD2 3.87Å; I261-L263 HydrophobicContact CG1-CD2 3.64Å; I261-L263 HydrophobicContact CG1-CG 4.44Å; I261-L263 PolarHBondContact O-N 2.9Å; I261-L263 VanDerWaalsContact O-N 3.11Å; L263-T265 PolarHBondContact O-N 3.28Å; L263-S266 PolarHBondContact O-N 2.9Å; L263-I267 HydrophobicContact CB-CD1 3.6Å; L263-I267 HydrophobicContact CB-CG1 4.16Å; L263-I267 HydrophobicContact CD1-CD1 4.13Å; L263-I267 HydrophobicContact CD2-CD1 3.88Å; L263-I267 HydrophobicContact CD2-CG1 3.88Å; L263-I267 HydrophobicContact CG-CD1 4.06Å; L263-I267 WeakPolarHBondContact O-CG1 3.43Å; L263-I267 PolarHBondContact O-N 2.94Å; L263-L342 HydrophobicContact CD1-CD2 3.94Å; L263-L342 HydrophobicContact CD2-CD2 3.82Å; L263-K345 HydrophobicContact CD1-CB 3.98Å; L263-K345 HydrophobicContact CD1-CD 3.65Å; L263-K345 HydrophobicContact CD1-CG 4.09Å; L263-K345 HydrophobicContact CG-CD 4.14Å; L263-C347 HydrophobicContact CB-CB 4.11Å
264S73.8Confident83.3Confident49 Ų4928.7 Ų28.734%0.34318%0.179SC..Hα-helixtrans-59.3-30.1-176.847.20000114P262 P349P262-S264 PolarHBondContact O-N 3.33Å; S264-P349 WeakPolarHBondContact O-CA 3.16Å
265T72.6Confident83Confident106 Ų10628.7 Ų28.765%0.6518%0.179SC*.Hα-helixtrans-105-7.9-17855.80000113.5P262 L263P262-T265 PolarHBondContact O-OG1 3.22Å; L263-T265 PolarHBondContact O-N 3.28Å
266S76.3Confident82.6Confident24 Ų2428 Ų2817%0.16817%0.173CC..Hα-helixtrans-116.6-22-164.5-48.20000113.9L185 P262 L263L185-S266 WeakPolarHBondContact CD1-O 3.49Å; P262-S266 WeakPolarHBondContact O-CB 3.45Å; P262-S266 PolarHBondContact O-OG 3.49Å; L263-S266 PolarHBondContact O-N 2.9Å
267I77.8Confident82.2Confident19 Ų1926.6 Ų26.610%0.09717%0.166CC..  trans-82129-179.1-59.9163.1000110.4L263 L342 Y355L263-I267 HydrophobicContact CB-CD1 3.6Å; L263-I267 HydrophobicContact CB-CG1 4.16Å; L263-I267 HydrophobicContact CD1-CD1 4.13Å; L263-I267 HydrophobicContact CD2-CD1 3.88Å; L263-I267 HydrophobicContact CD2-CG1 3.88Å; L263-I267 HydrophobicContact CG-CD1 4.06Å; L263-I267 WeakPolarHBondContact O-CG1 3.43Å; L263-I267 PolarHBondContact O-N 2.94Å; I267-L342 HydrophobicContact CD1-CD2 3.52Å; I267-L342 HydrophobicContact CG1-CD2 3.89Å; I267-Y355 HydrophobicContact CD1-CE2 4.23Å; I267-Y355 HydrophobicContact CG2-CD2 4.33Å; I267-Y355 HydrophobicContact CG2-CE2 3.98Å
268T79.5Confident81.9Confident60 Ų6026.3 Ų26.337%0.36817%0.165SC..  trans-100.9150169.862.70000111.3T270 L271 L272T268-T270 PolarHBondContact O-N 3.07Å; T268-T270 PolarHBondContact OG1-OG1 2.91Å; T268-T270 VanDerWaalsContact OG1-OG1 3.07Å; T268-L271 PolarHBondContact O-N 3.36Å; T268-L271 WeakPolarHBondContact OG1-CB 3.34Å; T268-L271 PolarHBondContact OG1-N 3.49Å; T268-L272 PolarHBondContact O-N 3.47Å
269P74.8Confident81.8Confident30 Ų3026.3 Ų26.320%0.19517%0.165CC..Hα-helixtrans-59.6-25.6174.4-25.234.5000114.1A273 R358P269-A273 WeakPolarHBondContact O-CB 3.44Å; P269-A273 PolarHBondContact O-N 2.83Å; P269-A273 VanDerWaalsContact O-N 3.12Å; P269-R358 PolarHBondContact O-NH1 2.99Å
270T77.3Confident81.5Confident67 Ų6723.9 Ų23.941%0.41115%0.147SC..Hα-helixtrans-75.4-41.8178.151.70000112.9T268 L272 A273 S274T268-T270 PolarHBondContact O-N 3.07Å; T268-T270 PolarHBondContact OG1-OG1 2.91Å; T268-T270 VanDerWaalsContact OG1-OG1 3.07Å; T270-L272 VanDerWaalsContact C-N 3.29Å; T270-L272 PolarHBondContact O-N 2.85Å; T270-A273 WeakPolarHBondContact O-CB 3.35Å; T270-A273 PolarHBondContact O-N 3.48Å; T270-S274 PolarHBondContact O-N 3.18Å; T270-S274 PolarHBondContact O-OG 3.17Å
271L83.7Confident81.2Confident1 Ų123.1 Ų23.11%0.00515%0.145CC..Hα-helixtrans-61.1-43.1173.1173.656.5000110.6L185 T189 L254 F258 T268 A273 S274 I275L185-L271 HydrophobicContact CD1-CD2 4.5Å; L185-L271 HydrophobicContact CD2-CD2 4.06Å; T189-L271 HydrophobicContact CG2-CB 4.33Å; T189-L271 WeakPolarHBondContact OG1-CD1 3.49Å; L254-L271 HydrophobicContact CD1-CD1 3.89Å; L254-L271 HydrophobicContact CD2-CD1 4.02Å; L254-L271 HydrophobicContact CD2-CD2 4.45Å; F258-L271 HydrophobicContact CE1-CD2 4.16Å; F258-L271 HydrophobicContact CZ-CD2 3.91Å; F258-L271 HydrophobicContact CZ-CG 4.4Å; T268-L271 PolarHBondContact O-N 3.36Å; T268-L271 WeakPolarHBondContact OG1-CB 3.34Å; T268-L271 PolarHBondContact OG1-N 3.49Å; L271-A273 PolarHBondContact O-N 2.99Å; L271-S274 PolarHBondContact O-N 2.97Å; L271-I275 HydrophobicContact CD1-CD1 3.77Å; L271-I275 HydrophobicContact CD1-CG1 4.09Å; L271-I275 HydrophobicContact CG-CD1 3.93Å; L271-I275 WeakPolarHBondContact O-CG1 3.49Å; L271-I275 PolarHBondContact O-N 2.81Å
272L81.7Confident80.7Confident2 Ų223.4 Ų23.41%0.0115%0.148CC..Hα-helixtrans-59.4-48.4176-166.669.2000111.8T268 T270 S274 I275 F276 L342 Y355 R358 M359T268-L272 PolarHBondContact O-N 3.47Å; T270-L272 VanDerWaalsContact C-N 3.29Å; T270-L272 PolarHBondContact O-N 2.85Å; L272-S274 VanDerWaalsContact C-N 3.28Å; L272-S274 PolarHBondContact O-N 3.42Å; L272-I275 PolarHBondContact O-N 3.49Å; L272-F276 HydrophobicContact CD1-CD2 4.08Å; L272-F276 HydrophobicContact CD1-CE2 3.74Å; L272-F276 HydrophobicContact CG-CD2 3.94Å; L272-F276 HydrophobicContact CG-CE2 3.93Å; L272-F276 WeakPolarHBondContact O-CD2 3.43Å; L272-F276 PolarHBondContact O-N 2.94Å; L272-L342 HydrophobicContact CD1-CD1 3.97Å; L272-Y355 HydrophobicContact CD1-CE2 4.05Å; L272-Y355 HydrophobicContact CD2-CD2 3.8Å; L272-Y355 HydrophobicContact CD2-CE2 3.84Å; L272-Y355 HydrophobicContact CG-CE2 4.5Å; L272-R358 HydrophobicContact CD2-CB 4.12Å; L272-M359 HydrophobicContact CD1-SD 3.64Å; L272-M359 HydrophobicContact CD2-CG 3.9Å; L272-M359 HydrophobicContact CD2-SD 3.83Å; L272-M359 HydrophobicContact CG-SD 4.17Å
273A79.5Confident80.3Confident20 Ų2020.6 Ų20.617%0.16513%0.13CC..Hα-helixtrans-54.9-45.3176.200000112.2Y228 P269 T270 L271 H277Y228-A273 HydrophobicContact CE2-CB 4.37Å; Y228-A273 WeakPolarHBondContact OH-CA 3.45Å; Y228-A273 WeakPolarHBondContact OH-CB 3.2Å; P269-A273 WeakPolarHBondContact O-CB 3.44Å; P269-A273 PolarHBondContact O-N 2.83Å; P269-A273 VanDerWaalsContact O-N 3.12Å; T270-A273 WeakPolarHBondContact O-CB 3.35Å; T270-A273 PolarHBondContact O-N 3.48Å; L271-A273 PolarHBondContact O-N 2.99Å; A273-H277 WeakPolarHBondContact O-CB 3.29Å; A273-H277 PolarHBondContact O-N 2.93Å
274S83.6Confident79.9Confident7 Ų721.5 Ų21.55%0.04914%0.135CC..Hα-helixtrans-63.6-49179.8-61.90000111.5T270 L271 L272 F276 H277 F278T270-S274 PolarHBondContact O-N 3.18Å; T270-S274 PolarHBondContact O-OG 3.17Å; L271-S274 PolarHBondContact O-N 2.97Å; L272-S274 VanDerWaalsContact C-N 3.28Å; L272-S274 PolarHBondContact O-N 3.42Å; S274-F276 PolarHBondContact O-N 3.33Å; S274-H277 WeakPolarHBondContact O-CB 3.4Å; S274-H277 PolarHBondContact O-N 3.27Å; S274-H277 VanDerWaalsContact O-N 3.15Å; S274-F278 VanDerWaalsContact O-CD2 3.23Å; S274-F278 WeakPolarHBondContact O-CD2 3.44Å; S274-F278 PolarHBondContact O-N 3.43Å; S274-F278 VanDerWaalsContact O-N 3.08Å
275I87.1Confident79.3Confident0 Ų021.8 Ų21.80%013%0.132CC..Hα-helixtrans-61.4-46.4-179.9-64.2161.8000111L254 F258 L271 L272 H277 F278 A279 A335 C338 V339 L342L254-I275 HydrophobicContact CD1-CD1 4.4Å; L254-I275 HydrophobicContact CD1-CG1 4.28Å; F258-I275 HydrophobicContact CE2-CD1 3.63Å; F258-I275 HydrophobicContact CZ-CD1 3.79Å; L271-I275 HydrophobicContact CD1-CD1 3.77Å; L271-I275 HydrophobicContact CD1-CG1 4.09Å; L271-I275 HydrophobicContact CG-CD1 3.93Å; L271-I275 WeakPolarHBondContact O-CG1 3.49Å; L271-I275 PolarHBondContact O-N 2.81Å; L272-I275 PolarHBondContact O-N 3.49Å; I275-H277 VanDerWaalsContact C-N 3.27Å; I275-H277 PolarHBondContact O-N 3.14Å; I275-F278 PolarHBondContact O-N 2.88Å; I275-F278 VanDerWaalsContact O-N 3.11Å; I275-A279 PolarHBondContact O-N 3.25Å; I275-A335 HydrophobicContact CG2-CB 4.45Å; I275-A335 WeakPolarHBondContact CG2-O 3.35Å; I275-C338 HydrophobicContact CD1-CB 4.44Å; I275-C338 HydrophobicContact CG2-CB 3.76Å; I275-V339 HydrophobicContact CG2-CG2 3.67Å; I275-L342 HydrophobicContact CD1-CD1 3.93Å
276F83.8Confident78.4Confident0 Ų025.9 Ų25.90%014%0.136CC..Hα-helixtrans-64.8-32.5177.1-85.8-74000112.8L272 S274 A279 R280 V339 M359 Q362 L366 F397L272-F276 HydrophobicContact CD1-CD2 4.08Å; L272-F276 HydrophobicContact CD1-CE2 3.74Å; L272-F276 HydrophobicContact CG-CD2 3.94Å; L272-F276 HydrophobicContact CG-CE2 3.93Å; L272-F276 WeakPolarHBondContact O-CD2 3.43Å; L272-F276 PolarHBondContact O-N 2.94Å; S274-F276 PolarHBondContact O-N 3.33Å; F276-A279 PolarHBondContact O-N 3.03Å; F276-R280 WeakPolarHBondContact O-CG 3.29Å; F276-R280 PolarHBondContact O-N 3.31Å; F276-V339 HydrophobicContact CD1-CG2 4.16Å; F276-V339 HydrophobicContact CD2-CG2 4.46Å; F276-V339 HydrophobicContact CE1-CG1 3.79Å; F276-V339 HydrophobicContact CE1-CG2 3.89Å; F276-V339 HydrophobicContact CE2-CG1 4.34Å; F276-V339 HydrophobicContact CE2-CG2 4.18Å; F276-V339 HydrophobicContact CG-CG2 4.45Å; F276-V339 HydrophobicContact CZ-CB 4.41Å; F276-V339 HydrophobicContact CZ-CG1 3.52Å; F276-V339 HydrophobicContact CZ-CG2 3.9Å; F276-M359 HydrophobicContact CE2-CE 4.03Å; F276-M359 HydrophobicContact CE2-SD 3.42Å; F276-M359 WeakPolarHBondContact CE2-SD 3.22Å; F276-M359 HydrophobicContact CZ-CE 3.65Å; F276-M359 HydrophobicContact CZ-SD 3.71Å; F276-Q362 HydrophobicContact CB-CB 4.07Å; F276-Q362 HydrophobicContact CB-CG 3.72Å; F276-Q362 HydrophobicContact CD1-CB 3.38Å; F276-Q362 HydrophobicContact CD1-CG 3.99Å; F276-Q362 HydrophobicContact CD2-CB 3.99Å; F276-Q362 HydrophobicContact CD2-CG 3.83Å; F276-Q362 HydrophobicContact CE1-CB 3.68Å; F276-Q362 HydrophobicContact CE2-CB 4.26Å; F276-Q362 HydrophobicContact CE2-CG 4.43Å; F276-Q362 HydrophobicContact CG-CB 3.54Å; F276-Q362 HydrophobicContact CG-CG 3.57Å; F276-Q362 HydrophobicContact CZ-CB 4.11Å; F276-L366 HydrophobicContact CD1-CD1 4Å; F276-L366 HydrophobicContact CE1-CD1 4.26Å; F276-F397 HydrophobicContact CE1-CE1 4.44Å; F276-F397 HydrophobicContact CE1-CE2 4.45Å; F276-F397 AromaticContact CE1-CZ 3.91Å; F276-F397 HydrophobicContact CE1-CZ 3.91Å; F276-F397 HydrophobicContact CZ-CE2 4.24Å; F276-F397 AromaticContact CZ-CZ 3.98Å; F276-F397 HydrophobicContact CZ-CZ 3.98Å
277H83.3Confident76.9Confident17 Ų1729 Ų298%0.07915%0.153CC..Hα-helixtrans-58.9-48.2170.5166.857.8000111.4W196 M236 A273 S274 I275 A279 R280W196-H277 AromaticContact CD2-CD2 3.99Å; W196-H277 HydrophobicContact CE3-CB 4.21Å; W196-H277 AromaticContact CE3-CD2 3.16Å; W196-H277 AromaticContact CE3-CE1 3.12Å; W196-H277 AromaticContact CE3-CG 3.26Å; W196-H277 AromaticContact CE3-ND1 3.31Å; W196-H277 VanDerWaalsContact CE3-ND1 3.31Å; W196-H277 AromaticContact CE3-NE2 3.08Å; W196-H277 HydrophobicContact CH2-CB 4.2Å; W196-H277 AromaticContact CH2-CG 3.83Å; W196-H277 AromaticContact CH2-ND1 3.57Å; W196-H277 HydrophobicContact CZ3-CB 4.02Å; W196-H277 AromaticContact CZ3-CD2 3.59Å; W196-H277 AromaticContact CZ3-CE1 2.92Å; W196-H277 WeakPolarHBondContact CZ3-CE1 3.41Å; W196-H277 AromaticContact CZ3-CG 3.18Å; W196-H277 AromaticContact CZ3-ND1 2.8Å; W196-H277 WeakPolarHBondContact CZ3-ND1 3.3Å; W196-H277 AromaticContact CZ3-NE2 3.46Å; W196-H277 WeakPolarHBondContact CZ3-NE2 3.22Å; M236-H277 WeakPolarHBondContact CE-CE1 3.15Å; M236-H277 PolarHBondContact SD-CE1 3.25Å; A273-H277 WeakPolarHBondContact O-CB 3.29Å; A273-H277 PolarHBondContact O-N 2.93Å; S274-H277 WeakPolarHBondContact O-CB 3.4Å; S274-H277 PolarHBondContact O-N 3.27Å; S274-H277 VanDerWaalsContact O-N 3.15Å; I275-H277 VanDerWaalsContact C-N 3.27Å; I275-H277 PolarHBondContact O-N 3.14Å; H277-A279 VanDerWaalsContact C-N 3.33Å; H277-A279 PolarHBondContact O-N 3.29Å; H277-R280 VanDerWaalsContact O-CB 3.24Å; H277-R280 WeakPolarHBondContact O-CB 3.5Å; H277-R280 PolarHBondContact O-N 3.09Å; H277-R280 VanDerWaalsContact O-N 3.14Å
278F85.7Confident74.7Confident4 Ų437.8 Ų37.82%0.01819%0.191CC..Hα-helixtrans-68.3-31.8179.1-76.9-82.1000112.8L192 C247 L251 S274 I275 R280 F281 I331 A335L192-F278 HydrophobicContact CB-CE2 3.81Å; L192-F278 HydrophobicContact CD2-CD2 4.02Å; L192-F278 HydrophobicContact CD2-CE2 3.65Å; L192-F278 HydrophobicContact CD2-CZ 3.97Å; L192-F278 HydrophobicContact CG-CE2 4.17Å; C247-F278 HydrophobicContact CB-CE1 4.13Å; L251-F278 HydrophobicContact CD1-CB 4.24Å; S274-F278 VanDerWaalsContact O-CD2 3.23Å; S274-F278 WeakPolarHBondContact O-CD2 3.44Å; S274-F278 PolarHBondContact O-N 3.43Å; S274-F278 VanDerWaalsContact O-N 3.08Å; I275-F278 PolarHBondContact O-N 2.88Å; I275-F278 VanDerWaalsContact O-N 3.11Å; F278-R280 PolarHBondContact O-N 3.23Å; F278-R280 VanDerWaalsContact O-N 3.15Å; F278-F281 HydrophobicContact CD1-CD2 4.01Å; F278-F281 AromaticContact CD1-CE2 3.71Å; F278-F281 HydrophobicContact CD1-CE2 3.71Å; F278-F281 HydrophobicContact CE1-CE2 4.02Å; F278-F281 WeakPolarHBondContact O-CB 3.18Å; F278-F281 WeakPolarHBondContact O-CD2 3.22Å; F278-F281 PolarHBondContact O-N 3.38Å; F278-F281 VanDerWaalsContact O-N 3.1Å; F278-I331 HydrophobicContact CB-CG2 4.13Å; F278-I331 HydrophobicContact CD1-CG2 3.82Å; F278-I331 HydrophobicContact CG-CG2 4.46Å; F278-A335 HydrophobicContact CB-CB 3.88Å
279A86.6Confident72.4Confident0 Ų039.2 Ų39.20%021%0.209CC..Hα-helixtrans-58.8-26.9172.900000112.7I275 F276 H277 F281 G282 A335 M336 Y390I275-A279 PolarHBondContact O-N 3.25Å; F276-A279 PolarHBondContact O-N 3.03Å; H277-A279 VanDerWaalsContact C-N 3.33Å; H277-A279 PolarHBondContact O-N 3.29Å; A279-F281 VanDerWaalsContact C-N 3.26Å; A279-F281 PolarHBondContact O-N 3.47Å; A279-G282 PolarHBondContact O-N 3.49Å; A279-A335 HydrophobicContact CB-CB 3.97Å; A279-A335 VanDerWaalsContact N-CB 3.3Å; A279-M336 HydrophobicContact CB-CG 4.09Å; A279-M336 HydrophobicContact CB-SD 3.68Å; A279-Y390 WeakPolarHBondContact O-CE2 3.22Å; A279-Y390 PolarHBondContact O-OH 3.2Å
280R83.7Confident70.3Confident2 Ų247.8 Ų47.81%0.00824%0.243CC..G310 helixtrans-67.4-21.2178-68.1169.266.6-162.9-5.4114L232 F276 H277 F278 G282 C283 F365 L366 R369L232-R280 PolarHBondContact O-NH1 3.44Å; L232-R280 PolarHBondContact O-NH2 2.99Å; F276-R280 WeakPolarHBondContact O-CG 3.29Å; F276-R280 PolarHBondContact O-N 3.31Å; H277-R280 VanDerWaalsContact O-CB 3.24Å; H277-R280 WeakPolarHBondContact O-CB 3.5Å; H277-R280 PolarHBondContact O-N 3.09Å; H277-R280 VanDerWaalsContact O-N 3.14Å; F278-R280 PolarHBondContact O-N 3.23Å; F278-R280 VanDerWaalsContact O-N 3.15Å; R280-G282 PolarHBondContact O-N 3.32Å; R280-C283 PolarHBondContact O-N 2.94Å; R280-C283 VanDerWaalsContact O-N 3.13Å; R280-F365 HydrophobicContact CG-CE1 4.03Å; R280-L366 HydrophobicContact CB-CD2 4.47Å; R280-L366 HydrophobicContact CG-CD2 3.68Å; R280-R369 VanDerWaalsContact NE-NH1 3.19Å
281F80.4Confident68Low10 Ų1051.2 Ų51.24%0.04426%0.264CS..G310 helixtrans-60.6-31.8175.9-82.5-86.5000111.9M236 L239 F278 A279 C283 D284 R328 I331M236-F281 HydrophobicContact CB-CE1 4.34Å; M236-F281 HydrophobicContact CE-CD1 4.04Å; M236-F281 HydrophobicContact CE-CD2 3.27Å; M236-F281 HydrophobicContact CE-CE1 3.81Å; M236-F281 HydrophobicContact CE-CE2 3.01Å; M236-F281 HydrophobicContact CE-CG 3.8Å; M236-F281 HydrophobicContact CE-CZ 3.31Å; L239-F281 HydrophobicContact CD1-CE1 4.03Å; L239-F281 HydrophobicContact CD1-CE2 4.27Å; L239-F281 HydrophobicContact CD1-CZ 3.73Å; L239-F281 HydrophobicContact CG-CE1 4.25Å; L239-F281 HydrophobicContact CG-CZ 4Å; F278-F281 HydrophobicContact CD1-CD2 4.01Å; F278-F281 AromaticContact CD1-CE2 3.71Å; F278-F281 HydrophobicContact CD1-CE2 3.71Å; F278-F281 HydrophobicContact CE1-CE2 4.02Å; F278-F281 WeakPolarHBondContact O-CB 3.18Å; F278-F281 WeakPolarHBondContact O-CD2 3.22Å; F278-F281 PolarHBondContact O-N 3.38Å; F278-F281 VanDerWaalsContact O-N 3.1Å; A279-F281 VanDerWaalsContact C-N 3.26Å; A279-F281 PolarHBondContact O-N 3.47Å; F281-C283 VanDerWaalsContact C-N 3.3Å; F281-C283 PolarHBondContact O-N 2.9Å; F281-D284 PolarHBondContact O-N 3.17Å; F281-R328 HydrophobicContact CD1-CG 4.17Å; F281-I331 HydrophobicContact CB-CG2 4.18Å; F281-I331 HydrophobicContact CD2-CG2 3.97Å; F281-I331 HydrophobicContact CG-CG2 4.22Å
282G80.2Confident65.4Low8 Ų855 Ų558%0.08230%0.304CS..G310 helixtrans-66.2-28.9176.100000113.5A279 R280 L386A279-G282 PolarHBondContact O-N 3.49Å; R280-G282 PolarHBondContact O-N 3.32Å; G282-L386 VanDerWaalsContact O-CD2 3.22Å; G282-L386 WeakPolarHBondContact O-CD2 3.44Å
283C75.3Confident62.8Low0 Ų059.8 Ų59.80%034%0.343CS..G310 helixtrans-87.8-2.3-179.1-62.50000115R280 F281 R369 L370 R382 Y390R280-C283 PolarHBondContact O-N 2.94Å; R280-C283 VanDerWaalsContact O-N 3.13Å; F281-C283 VanDerWaalsContact C-N 3.3Å; F281-C283 PolarHBondContact O-N 2.9Å; C283-R369 HydrophobicContact CB-CG 4.44Å; C283-L370 HydrophobicContact CB-CD2 4.19Å; C283-R382 PolarHBondContact O-NH2 3.49Å; C283-R382 VanDerWaalsContact O-NH2 3.08Å; C283-Y390 VanDerWaalsContact SG-CE1 3.59Å; C283-Y390 PolarHBondContact SG-OH 2.89Å
284D71.1Confident60.3Low26 Ų2667.1 Ų67.114%0.13938%0.379CS..  trans-106.3101.5-167.4-102.9-28.4000114.4M236 F281 R369M236-D284 WeakPolarHBondContact CG-OD2 3.36Å; F281-D284 PolarHBondContact O-N 3.17Å; D284-R369 IonicContact OD1-CZ 3.47Å; D284-R369 IonicContact OD1-NE 2.58Å; D284-R369 IonicContact OD1-NH2 2.74Å; D284-R369 PolarHBondContact OD1-NH2 3.02Å; D284-R369 IonicContact OD2-CZ 2.63Å; D284-R369 IonicContact OD2-NH1 3.2Å; D284-R369 PolarHBondContact OD2-NH1 2.94Å; D284-R369 IonicContact OD2-NH2 3.41Å; D284-R369 PolarHBondContact OD2-NH2 3.5Å
285L60.9Low57.8Low54 Ų5474.8 Ų74.828%0.28342%0.418SS..  trans-88.81.5-176.7-63.5165.2000114.5T287 R382 E385 L386L285-T287 PolarHBondContact O-N 2.79Å; L285-R382 HydrophobicContact CD1-CG 3.64Å; L285-E385 HydrophobicContact CD1-CB 4.06Å; L285-E385 HydrophobicContact CD2-CB 3.95Å; L285-L386 HydrophobicContact CD1-CD2 4.4Å; L285-L386 HydrophobicContact CD2-CD2 4.07Å; L285-L386 HydrophobicContact CG-CD2 4.21Å
286R54.5Low54.9Low193 Ų19380.1 Ų80.173%0.72846%0.455SS*.  trans-81.2113.4-171.1-76.1-173.2177-174.2-0.3113.7R328R286-R328 PolarHBondContact O-NH1 3.05Å
287T44.2Very low52.1Low88 Ų8884.6 Ų84.654%0.5449%0.486SS..  trans-123.669.915343.80000110.2L285 A289L285-T287 PolarHBondContact O-N 2.79Å; T287-A289 PolarHBondContact O-N 3.08Å
288K32.2Very low49.3Very low205 Ų20590 Ų9089%0.89152%0.52SS*.  trans-85.798.4163.3-85.8-169.8176.2-1770109.4
289A30.9Very low46.6Very low90 Ų9094.4 Ų94.474%0.74455%0.552SS**  trans-61.2129.4162.200000109.1T287 T291T287-A289 PolarHBondContact O-N 3.08Å; A289-T291 PolarHBondContact O-N 3.28Å; A289-T291 VanDerWaalsContact O-N 3.14Å
290K31.2Very low43.7Very low209 Ų209102.3 Ų102.391%0.90959%0.594SS**  trans-69.5102.8170.8-75.5177175.6176.20108.7
291T29.4Very low40.9Very low139 Ų139105.9 Ų105.985%0.85363%0.632SS**  trans-105.1106.9155.431.30000108.2A289A289-T291 PolarHBondContact O-N 3.28Å; A289-T291 VanDerWaalsContact O-N 3.14Å
292G28.9Very low38.9Very low82 Ų82111 Ų11185%0.84567%0.666SS**  trans-85124.4165.200000109.4
293A25.7Very low36.4Very low101 Ų101118.1 Ų118.184%0.83570%0.701SS**  trans-153.3128.1152.300000108.5
294L28.1Very low34.1Very low174 Ų174125.5 Ų125.591%0.91174%0.741SS**  trans-66.1151.2-172.1-76.694.8000113.4
295I31.2Very low32.7Very low169 Ų169130 Ų13087%0.86777%0.771SS**  trans-67.6132.1165.6-61.4165.3000109.5
296S25.5Very low31Very low112 Ų112131 Ų13178%0.78379%0.794SS**  trans-130.9108.8150.469.50000110.8
297S25.5Very low29.7Very low94 Ų94126.4 Ų126.466%0.65780%0.798SS**  trans-1.4153.3152.559.20000123.9
298T24.8Very low29.2Very low129 Ų129128.4 Ų128.479%0.79181%0.81SS**  trans96.9102.7145.554.50000122.2
299S28Very low29.1Very low97 Ų97124.4 Ų124.468%0.67881%0.805SS**  39.5133.4126.263.30000125
300N26.3Very low28.9Very low167 Ų167125.4 Ų125.489%0.89380%0.802SS**  trans82.6121.3142.2-69-4.2000122.1
301G24.7Very low29Very low77 Ų77120.8 Ų120.879%0.79479%0.791SS**  trans127.1147.6144.300000117.1
302P38.5Very low29.2Very low116 Ų116121.9 Ų121.975%0.75379%0.792SS**  trans-116.4168.3-146.740.6-28.1000117.6
303L27.3Very low29.4Very low158 Ų158121.7 Ų121.783%0.82779%0.79SS**  trans65.1112.1155.4-65.9154.3000120.3
304N27.2Very low29.9Very low156 Ų156126.5 Ų126.583%0.83480%0.795SS**  172.4158.8104-114.1-2.7000113
305P40.7Very low30Very low119 Ų119121 Ų12177%0.77378%0.781SS**  trans-95.5145.2-170.537-31000112.7
306G26Very low30.2Very low75 Ų75123.4 Ų123.477%0.77378%0.779SS**  trans163.5136164.400000115.7
307A26.6Very low30.8Very low97 Ų97124.8 Ų124.880%0.80278%0.777SS**  trans84100.9161.100000118.3
308V34.8Very low31.5Very low130 Ų130122.7 Ų122.779%0.78877%0.771SS**  trans-52.3140.9150.8177.60000109.8T310V308-T310 HydrophobicContact CG1-CG2 4.42Å
309P30.4Very low32.2Very low121 Ų121123.5 Ų123.579%0.78677%0.766SS**  -125.5134.712921.4-4.6000112.5
310T26.2Very low33.1Very low111 Ų111125.2 Ų125.268%0.68176%0.763SS**  trans-53132.1171.141.50000114.7V308V308-T310 HydrophobicContact CG1-CG2 4.42Å
311T33.5Very low34.3Very low112 Ų112119.9 Ų119.969%0.68774%0.739SS**  trans44.4111.6132.763.20000119.5
312N32.8Very low35.7Very low163 Ų163123.3 Ų123.387%0.87273%0.734SS**  164.5109.6107.6-88.3-19.6000110.2
313G32.6Very low36.6Very low78 Ų78121.8 Ų121.880%0.80472%0.723SS**  trans173.919.717500000118.2
314E36.6Very low38.4Very low201 Ų201117.3 Ų117.394%0.93970%0.7SS**  trans-139.8120176-69.1-172.4158.800110.9
315G31.2Very low40.3Very low60 Ų60115.1 Ų115.162%0.61968%0.683SS**SBendtrans-177.8-14.3179.200000115.7
316R35.8Very low41.7Very low219 Ų219112.2 Ų112.283%0.82667%0.669SS**SBendtrans-96.5-24.2-177.8-88.2179.5167.5172.5-3.9116
317N37.8Very low44Very low140 Ų140110.6 Ų110.675%0.74964%0.642SS**Hα-helixtrans-84.2-21.6-176.3-77.7-5.1000114.4
318G39.6Very low46.4Very low51 Ų51107.9 Ų107.953%0.52661%0.611SS.*Hα-helixtrans-72.4-46.6178.100000113.5Q320 S321 E322G318-Q320 PolarHBondContact O-N 2.91Å; G318-S321 PolarHBondContact O-N 3.39Å; G318-E322 PolarHBondContact O-N 3.45Å
319Q38.8Very low48.6Very low145 Ų145102.2 Ų102.268%0.67858%0.578SS**Hα-helixtrans-64.8-35.1-178-79.4176.8-20.200113.5V323Q319-V323 VanDerWaalsContact O-CG2 3.27Å; Q319-V323 WeakPolarHBondContact O-CG2 3.38Å; Q319-V323 PolarHBondContact O-N 3.05Å
320Q47.2Very low51.3Low133 Ų133102.5 Ų102.562%0.62156%0.564SS**Hα-helixtrans-72.5-27.5177.5-104.6174-10.700113.3G318 N324G318-Q320 PolarHBondContact O-N 2.91Å; Q320-N324 PolarHBondContact O-N 3.28Å; Q320-N324 PolarHBondContact O-ND2 3.37Å
321S51.4Low54.3Low55 Ų5597.2 Ų97.239%0.38553%0.531SS..Hα-helixtrans-75.8-35.3178.5-170.10000112.2G318 K325G318-S321 PolarHBondContact O-N 3.39Å; S321-K325 PolarHBondContact O-N 3.44Å
322E54.5Low56.9Low149 Ų14991.9 Ų91.970%0.69650%0.499SS*.Hα-helixtrans-73.8-41.8177.7-71.2-161.5154.100112.9G318 N324 K325 A326G318-E322 PolarHBondContact O-N 3.45Å; E322-N324 VanDerWaalsContact C-N 3.32Å; E322-N324 PolarHBondContact O-N 2.85Å; E322-K325 WeakPolarHBondContact O-CB 3.49Å; E322-K325 PolarHBondContact O-N 3.02Å; E322-A326 PolarHBondContact O-N 3.38Å
323V58.1Low59.7Low85 Ų8585.4 Ų85.452%0.51547%0.465SS..Hα-helixtrans-59.1-44.1176173.70000110.8Q319 K325 A326 D327Q319-V323 VanDerWaalsContact O-CG2 3.27Å; Q319-V323 WeakPolarHBondContact O-CG2 3.38Å; Q319-V323 PolarHBondContact O-N 3.05Å; V323-K325 VanDerWaalsContact C-N 3.26Å; V323-K325 PolarHBondContact O-N 3.45Å; V323-A326 PolarHBondContact O-N 3.32Å; V323-D327 WeakPolarHBondContact O-CB 3.45Å; V323-D327 VanDerWaalsContact O-CG 3.26Å; V323-D327 PolarHBondContact O-N 2.93Å
324N64.4Low62.5Low64 Ų6483.1 Ų83.134%0.34243%0.434SS..Hα-helixtrans-64.9-26.4175.8-79.7-47.4000113.8Q320 E322 R328Q320-N324 PolarHBondContact O-N 3.28Å; Q320-N324 PolarHBondContact O-ND2 3.37Å; E322-N324 VanDerWaalsContact C-N 3.32Å; E322-N324 PolarHBondContact O-N 2.85Å; N324-R328 VanDerWaalsContact O-CG 3.25Å; N324-R328 WeakPolarHBondContact O-CG 3.39Å; N324-R328 PolarHBondContact O-N 2.95Å
325K67.2Low65.1Low109 Ų10973.6 Ų73.647%0.47439%0.389SS..Hα-helixtrans-75.3-46.2175.8-171.8-178.2176.6-1730110.5S321 E322 V323 D327 R328 A329 E385S321-K325 PolarHBondContact O-N 3.44Å; E322-K325 WeakPolarHBondContact O-CB 3.49Å; E322-K325 PolarHBondContact O-N 3.02Å; V323-K325 VanDerWaalsContact C-N 3.26Å; V323-K325 PolarHBondContact O-N 3.45Å; K325-D327 PolarHBondContact O-N 3.01Å; K325-R328 PolarHBondContact O-N 3.16Å; K325-A329 PolarHBondContact O-N 3.45Å; K325-E385 VanDerWaalsContact CE-O 3.25Å; K325-E385 WeakPolarHBondContact CE-O 3.29Å; K325-E385 PolarHBondContact NZ-O 3.11Å
326A70.8Confident68Low59 Ų5970.7 Ų70.749%0.48836%0.36SS..Hα-helixtrans-61.8-41.6176.700000112.2E322 V323 R328 A329 R330E322-A326 PolarHBondContact O-N 3.38Å; V323-A326 PolarHBondContact O-N 3.32Å; A326-R328 PolarHBondContact O-N 3.3Å; A326-A329 PolarHBondContact O-N 3.25Å; A326-R330 WeakPolarHBondContact O-CB 3.41Å; A326-R330 PolarHBondContact O-N 3.46Å
327D74.7Confident70.8Confident40 Ų4062 Ų6221%0.21433%0.331CS..Hα-helixtrans-63.7-43.3177.4-71.4-21.3000111.4H244 V323 K325 A329 R330 I331H244-D327 PolarHBondContact CE1-O 2.98Å; H244-D327 IonicContact NE2-OD1 2.7Å; V323-D327 WeakPolarHBondContact O-CB 3.45Å; V323-D327 VanDerWaalsContact O-CG 3.26Å; V323-D327 PolarHBondContact O-N 2.93Å; K325-D327 PolarHBondContact O-N 3.01Å; D327-A329 PolarHBondContact O-N 3.49Å; D327-R330 PolarHBondContact O-N 2.89Å; D327-I331 PolarHBondContact O-N 3.42Å
328R76.1Confident73.3Confident40 Ų4055.4 Ų55.415%0.15130%0.296CS..Hα-helixtrans-64.4-41.9175.8-73175.7179.3-158.20.3112.7F281 R286 N324 K325 A326 R330 I331 G332F281-R328 HydrophobicContact CD1-CG 4.17Å; R286-R328 PolarHBondContact O-NH1 3.05Å; N324-R328 VanDerWaalsContact O-CG 3.25Å; N324-R328 WeakPolarHBondContact O-CG 3.39Å; N324-R328 PolarHBondContact O-N 2.95Å; K325-R328 PolarHBondContact O-N 3.16Å; A326-R328 PolarHBondContact O-N 3.3Å; R328-R330 VanDerWaalsContact C-N 3.35Å; R328-I331 PolarHBondContact O-N 3.06Å; R328-G332 PolarHBondContact O-N 2.93Å; R328-G332 VanDerWaalsContact O-N 3.1Å
329A81.9Confident75.7Confident11 Ų1153 Ų539%0.09127%0.271CS..Hα-helixtrans-58.9-47.3175.900000111K325 A326 D327 I331 G332 V333 D387K325-A329 PolarHBondContact O-N 3.45Å; A326-A329 PolarHBondContact O-N 3.25Å; D327-A329 PolarHBondContact O-N 3.49Å; A329-I331 PolarHBondContact O-N 3.2Å; A329-G332 CarbonylContact O-C 3.56Å; A329-G332 WeakPolarHBondContact O-CA 3.19Å; A329-G332 PolarHBondContact O-N 3.38Å; A329-V333 WeakPolarHBondContact O-CG2 3.42Å; A329-V333 PolarHBondContact O-N 3.42Å; A329-D387 HydrophobicContact CB-CB 3.58Å
330R87.2Confident78.2Confident127 Ų12746.7 Ų46.748%0.47924%0.242SC..Hα-helixtrans-56.7-45.7178.8-175.7179.9172.9-163.9-3.5113.2E252 A326 D327 R328 G332 V333 L334E252-R330 IonicContact OE1-NH2 3.64Å; E252-R330 PolarHBondContact OE1-NH2 2.69Å; A326-R330 WeakPolarHBondContact O-CB 3.41Å; A326-R330 PolarHBondContact O-N 3.46Å; D327-R330 PolarHBondContact O-N 2.89Å; R328-R330 VanDerWaalsContact C-N 3.35Å; R330-G332 VanDerWaalsContact C-N 3.33Å; R330-G332 PolarHBondContact O-N 2.87Å; R330-V333 PolarHBondContact O-N 3.2Å; R330-L334 HydrophobicContact CG-CD1 4.3Å; R330-L334 WeakPolarHBondContact O-CG 3.48Å; R330-L334 PolarHBondContact O-N 3.43Å
331I87.9Confident80.2Confident1 Ų143.6 Ų43.61%0.00523%0.227CC..Hα-helixtrans-61.3-44174.9-79.8176.6000110.9L239 H244 C247 C248 L251 F278 F281 D327 R328 A329 V333 L334 A335L239-I331 HydrophobicContact CD1-CD1 3.42Å; L239-I331 VanDerWaalsContact CD1-CD1 3.42Å; H244-I331 HydrophobicContact CB-CD1 4.49Å; H244-I331 WeakPolarHBondContact ND1-CD1 3.49Å; C247-I331 HydrophobicContact CB-CD1 4.34Å; C248-I331 WeakPolarHBondContact SG-CG1 3.49Å; L251-I331 HydrophobicContact CD1-CG2 4.22Å; F278-I331 HydrophobicContact CB-CG2 4.13Å; F278-I331 HydrophobicContact CD1-CG2 3.82Å; F278-I331 HydrophobicContact CG-CG2 4.46Å; F281-I331 HydrophobicContact CB-CG2 4.18Å; F281-I331 HydrophobicContact CD2-CG2 3.97Å; F281-I331 HydrophobicContact CG-CG2 4.22Å; D327-I331 PolarHBondContact O-N 3.42Å; R328-I331 PolarHBondContact O-N 3.06Å; A329-I331 PolarHBondContact O-N 3.2Å; I331-V333 VanDerWaalsContact C-N 3.34Å; I331-V333 PolarHBondContact O-N 2.83Å; I331-L334 PolarHBondContact O-N 2.97Å; I331-A335 WeakPolarHBondContact O-CB 3.41Å; I331-A335 PolarHBondContact O-N 3.46Å
332G88.7Confident81.8Confident0 Ų041 Ų410%021%0.21CC..Hα-helixtrans-57.6-46176.700000112.3R328 A329 R330 A335 M336R328-G332 PolarHBondContact O-N 2.93Å; R328-G332 VanDerWaalsContact O-N 3.1Å; A329-G332 CarbonylContact O-C 3.56Å; A329-G332 WeakPolarHBondContact O-CA 3.19Å; A329-G332 PolarHBondContact O-N 3.38Å; R330-G332 VanDerWaalsContact C-N 3.33Å; R330-G332 PolarHBondContact O-N 2.87Å; G332-A335 PolarHBondContact O-N 3.19Å; G332-M336 WeakPolarHBondContact O-CB 3.09Å; G332-M336 WeakPolarHBondContact O-CG 3.33Å; G332-M336 PolarHBondContact O-N 2.94Å
333V91.4Very high83.1Confident26 Ų2634 Ų3416%0.15818%0.176CC..Hα-helixtrans-63.3-46.91791730000111.3A329 R330 I331 A335 M336 T337 Y390 K393A329-V333 WeakPolarHBondContact O-CG2 3.42Å; A329-V333 PolarHBondContact O-N 3.42Å; R330-V333 PolarHBondContact O-N 3.2Å; I331-V333 VanDerWaalsContact C-N 3.34Å; I331-V333 PolarHBondContact O-N 2.83Å; V333-A335 PolarHBondContact O-N 3.19Å; V333-M336 PolarHBondContact O-N 3.07Å; V333-T337 WeakPolarHBondContact O-CB 3.46Å; V333-T337 PolarHBondContact O-N 3.42Å; V333-T337 PolarHBondContact O-OG1 2.96Å; V333-Y390 HydrophobicContact CG2-CD2 4.38Å; V333-K393 HydrophobicContact CG1-CG 4.43Å
334L91.6Very high84.4Confident31 Ų3132.2 Ų32.216%0.16217%0.168CC..Hα-helixtrans-62.4-44.1178.3-71.7173.6000111.5C248 L251 E252 R330 I331 T337 C338C248-L334 HydrophobicContact CB-CD1 3.78Å; L251-L334 HydrophobicContact CB-CB 3.93Å; L251-L334 HydrophobicContact CD1-CB 4.14Å; E252-L334 HydrophobicContact CG-CD1 4.09Å; E252-L334 HydrophobicContact CG-CD2 3.72Å; R330-L334 HydrophobicContact CG-CD1 4.3Å; R330-L334 WeakPolarHBondContact O-CG 3.48Å; R330-L334 PolarHBondContact O-N 3.43Å; I331-L334 PolarHBondContact O-N 2.97Å; L334-T337 WeakPolarHBondContact O-CB 3.24Å; L334-T337 PolarHBondContact O-N 3.12Å; L334-C338 PolarHBondContact O-N 3.08Å; L334-C338 PolarHBondContact O-SG 2.93Å; L334-C338 VanDerWaalsContact O-SG 3.35Å
335A91.8Very high85.2Confident0 Ų032 Ų320%016%0.164CC..Hα-helixtrans-64.9-42.5176.900000112L251 I275 F278 A279 I331 G332 V333 T337 C338 V339L251-A335 HydrophobicContact CD1-CB 3.97Å; L251-A335 HydrophobicContact CD2-CB 4.16Å; I275-A335 HydrophobicContact CG2-CB 4.45Å; I275-A335 WeakPolarHBondContact CG2-O 3.35Å; F278-A335 HydrophobicContact CB-CB 3.88Å; A279-A335 HydrophobicContact CB-CB 3.97Å; A279-A335 VanDerWaalsContact N-CB 3.3Å; I331-A335 WeakPolarHBondContact O-CB 3.41Å; I331-A335 PolarHBondContact O-N 3.46Å; G332-A335 PolarHBondContact O-N 3.19Å; V333-A335 PolarHBondContact O-N 3.19Å; A335-T337 VanDerWaalsContact C-N 3.27Å; A335-T337 PolarHBondContact O-N 3.12Å; A335-C338 WeakPolarHBondContact O-CB 3.4Å; A335-C338 PolarHBondContact O-N 2.9Å; A335-V339 WeakPolarHBondContact O-CG2 3.38Å; A335-V339 PolarHBondContact O-N 3.35Å
336M92.1Very high85.3Confident0 Ų032.1 Ų32.10%017%0.17CC..Hα-helixtrans-64.1-33174-76.7-56.5-50.700112.5A279 G332 V333 V339 N340 L366 Y390 K393 F394 F397A279-M336 HydrophobicContact CB-CG 4.09Å; A279-M336 HydrophobicContact CB-SD 3.68Å; G332-M336 WeakPolarHBondContact O-CB 3.09Å; G332-M336 WeakPolarHBondContact O-CG 3.33Å; G332-M336 PolarHBondContact O-N 2.94Å; V333-M336 PolarHBondContact O-N 3.07Å; M336-V339 HydrophobicContact CE-CB 4.47Å; M336-V339 HydrophobicContact CE-CG1 4.46Å; M336-V339 WeakPolarHBondContact O-CB 3.47Å; M336-V339 PolarHBondContact O-N 2.78Å; M336-N340 PolarHBondContact O-N 3.01Å; M336-L366 HydrophobicContact SD-CD1 4.28Å; M336-Y390 HydrophobicContact CB-CE2 4.44Å; M336-Y390 HydrophobicContact CG-CD2 4.01Å; M336-Y390 HydrophobicContact CG-CE2 3.36Å; M336-Y390 HydrophobicContact SD-CE2 4.49Å; M336-K393 HydrophobicContact CB-CB 3.95Å; M336-F394 HydrophobicContact CE-CB 4.47Å; M336-F394 HydrophobicContact CE-CD2 4.05Å; M336-F394 HydrophobicContact SD-CD2 4.43Å; M336-F397 HydrophobicContact CE-CB 3.49Å; M336-F397 VanDerWaalsContact CE-CB 3.49Å; M336-F397 HydrophobicContact CE-CD1 3.95Å; M336-F397 HydrophobicContact CE-CD2 4.45Å; M336-F397 HydrophobicContact CE-CG 3.72Å
337T92.9Very high85.2Confident37 Ų3729.8 Ų29.823%0.22715%0.15CC..Hα-helixtrans-63.2-45172.7-560000110.7A255 V333 L334 A335 V339 N340 E341A255-T337 HydrophobicContact CB-CG2 4.41Å; V333-T337 WeakPolarHBondContact O-CB 3.46Å; V333-T337 PolarHBondContact O-N 3.42Å; V333-T337 PolarHBondContact O-OG1 2.96Å; L334-T337 WeakPolarHBondContact O-CB 3.24Å; L334-T337 PolarHBondContact O-N 3.12Å; A335-T337 VanDerWaalsContact C-N 3.27Å; A335-T337 PolarHBondContact O-N 3.12Å; T337-V339 VanDerWaalsContact C-N 3.31Å; T337-V339 PolarHBondContact O-N 3.01Å; T337-N340 PolarHBondContact O-N 3.01Å; T337-E341 WeakPolarHBondContact O-CG 3.29Å; T337-E341 PolarHBondContact O-N 2.83Å
338C90.9Very high84.7Confident0 Ų031.9 Ų31.90%016%0.164CC..Hα-helixtrans-57.4-43.7171.9-60.50000112L251 F258 I275 L334 A335 E341 L342L251-C338 PolarHBondContact O-SG 3.36Å; F258-C338 HydrophobicContact CD2-CB 4.31Å; F258-C338 HydrophobicContact CE2-CB 4.14Å; I275-C338 HydrophobicContact CD1-CB 4.44Å; I275-C338 HydrophobicContact CG2-CB 3.76Å; L334-C338 PolarHBondContact O-N 3.08Å; L334-C338 PolarHBondContact O-SG 2.93Å; L334-C338 VanDerWaalsContact O-SG 3.35Å; A335-C338 WeakPolarHBondContact O-CB 3.4Å; A335-C338 PolarHBondContact O-N 2.9Å; C338-E341 PolarHBondContact O-N 3.49Å; C338-L342 VanDerWaalsContact O-CG 3.25Å; C338-L342 WeakPolarHBondContact O-CG 3.25Å; C338-L342 PolarHBondContact O-N 2.93Å; C338-L342 VanDerWaalsContact O-N 3.07Å
339V89.8Confident84.1Confident0 Ų030.5 Ų30.50%016%0.16CC..Hα-helixtrans-61.2-45.1177.2174.40000111I275 F276 A335 M336 T337 E341 L342 V343 F397I275-V339 HydrophobicContact CG2-CG2 3.67Å; F276-V339 HydrophobicContact CD1-CG2 4.16Å; F276-V339 HydrophobicContact CD2-CG2 4.46Å; F276-V339 HydrophobicContact CE1-CG1 3.79Å; F276-V339 HydrophobicContact CE1-CG2 3.89Å; F276-V339 HydrophobicContact CE2-CG1 4.34Å; F276-V339 HydrophobicContact CE2-CG2 4.18Å; F276-V339 HydrophobicContact CG-CG2 4.45Å; F276-V339 HydrophobicContact CZ-CB 4.41Å; F276-V339 HydrophobicContact CZ-CG1 3.52Å; F276-V339 HydrophobicContact CZ-CG2 3.9Å; A335-V339 WeakPolarHBondContact O-CG2 3.38Å; A335-V339 PolarHBondContact O-N 3.35Å; M336-V339 HydrophobicContact CE-CB 4.47Å; M336-V339 HydrophobicContact CE-CG1 4.46Å; M336-V339 WeakPolarHBondContact O-CB 3.47Å; M336-V339 PolarHBondContact O-N 2.78Å; T337-V339 VanDerWaalsContact C-N 3.31Å; T337-V339 PolarHBondContact O-N 3.01Å; V339-E341 PolarHBondContact O-N 3.31Å; V339-L342 WeakPolarHBondContact O-CB 3.33Å; V339-L342 PolarHBondContact O-N 2.74Å; V339-L342 VanDerWaalsContact O-N 3.16Å; V339-V343 HydrophobicContact CG1-CG2 3.96Å; V339-V343 WeakPolarHBondContact O-CG2 3.38Å; V339-V343 PolarHBondContact O-N 3.42Å; V339-F397 HydrophobicContact CG1-CD2 3.44Å; V339-F397 VanDerWaalsContact CG1-CD2 3.44Å; V339-F397 HydrophobicContact CG1-CE2 3.34Å; V339-F397 HydrophobicContact CG1-CG 4.26Å; V339-F397 HydrophobicContact CG1-CZ 4.07Å
340N91.1Very high83Confident14 Ų1438.3 Ų38.38%0.07520%0.197CC..Hα-helixtrans-63.4-41.7179.7-72.7-8.2000112.2M336 T337 L342 V343 S344 K393 F397 L400M336-N340 PolarHBondContact O-N 3.01Å; T337-N340 PolarHBondContact O-N 3.01Å; N340-L342 VanDerWaalsContact C-N 3.29Å; N340-L342 PolarHBondContact O-N 3.35Å; N340-V343 PolarHBondContact O-N 2.92Å; N340-S344 VanDerWaalsContact O-CB 3.24Å; N340-S344 WeakPolarHBondContact O-CB 3.18Å; N340-S344 PolarHBondContact O-N 2.92Å; N340-S344 PolarHBondContact O-OG 3.38Å; N340-K393 PolarHBondContact ND2-O 2.91Å; N340-F397 WeakPolarHBondContact OD1-CA 3.34Å; N340-F397 WeakPolarHBondContact OD1-CB 3.28Å; N340-F397 PolarHBondContact OD1-N 3.42Å; N340-L400 HydrophobicContact CB-CD1 4.02Å
341E89.6Confident81.9Confident67 Ų6737.1 Ų37.131%0.31320%0.2SC..Hα-helixtrans-62.6-34.6173.7-70.4-59.3148.500112.9F258 T337 C338 V339 S344F258-E341 HydrophobicContact CB-CB 3.95Å; T337-E341 WeakPolarHBondContact O-CG 3.29Å; T337-E341 PolarHBondContact O-N 2.83Å; C338-E341 PolarHBondContact O-N 3.49Å; V339-E341 PolarHBondContact O-N 3.31Å; E341-S344 PolarHBondContact O-OG 2.77Å; E341-S344 VanDerWaalsContact O-OG 3.13Å
342L85.3Confident80.7Confident2 Ų239.8 Ų39.81%0.0121%0.212CC..Hα-helixtrans-70.1-42.2175.2-71.1171.2000112.1F258 L263 I267 L272 I275 C338 V339 N340F258-L342 HydrophobicContact CB-CD2 4.46Å; F258-L342 HydrophobicContact CD1-CD2 3.83Å; F258-L342 HydrophobicContact CD2-CD1 4.1Å; F258-L342 HydrophobicContact CD2-CD2 3.59Å; F258-L342 HydrophobicContact CD2-CG 3.54Å; F258-L342 HydrophobicContact CE1-CD2 3.86Å; F258-L342 HydrophobicContact CE2-CD1 3.61Å; F258-L342 HydrophobicContact CE2-CD2 3.63Å; F258-L342 HydrophobicContact CE2-CG 3.58Å; F258-L342 HydrophobicContact CG-CD2 3.7Å; F258-L342 HydrophobicContact CG-CG 4.11Å; F258-L342 HydrophobicContact CZ-CD1 4.11Å; F258-L342 HydrophobicContact CZ-CD2 3.75Å; F258-L342 HydrophobicContact CZ-CG 4.18Å; L263-L342 HydrophobicContact CD1-CD2 3.94Å; L263-L342 HydrophobicContact CD2-CD2 3.82Å; I267-L342 HydrophobicContact CD1-CD2 3.52Å; I267-L342 HydrophobicContact CG1-CD2 3.89Å; L272-L342 HydrophobicContact CD1-CD1 3.97Å; I275-L342 HydrophobicContact CD1-CD1 3.93Å; C338-L342 VanDerWaalsContact O-CG 3.25Å; C338-L342 WeakPolarHBondContact O-CG 3.25Å; C338-L342 PolarHBondContact O-N 2.93Å; C338-L342 VanDerWaalsContact O-N 3.07Å; V339-L342 WeakPolarHBondContact O-CB 3.33Å; V339-L342 PolarHBondContact O-N 2.74Å; V339-L342 VanDerWaalsContact O-N 3.16Å; N340-L342 VanDerWaalsContact C-N 3.29Å; N340-L342 PolarHBondContact O-N 3.35Å
343V81.9Confident79.6Confident0 Ų047.9 Ų47.90%025%0.249CC..Hα-helixtrans-79.2-33.6-174.3-177.50000111.8V339 N340 K345 M359 F397 L400 H405V339-V343 HydrophobicContact CG1-CG2 3.96Å; V339-V343 WeakPolarHBondContact O-CG2 3.38Å; V339-V343 PolarHBondContact O-N 3.42Å; N340-V343 PolarHBondContact O-N 2.92Å; V343-K345 PolarHBondContact O-N 3.34Å; V343-M359 HydrophobicContact CG2-CE 3.27Å; V343-F397 HydrophobicContact CG2-CD2 3.89Å; V343-F397 HydrophobicContact CG2-CE2 3.62Å; V343-L400 HydrophobicContact CB-CB 4.34Å; V343-L400 HydrophobicContact CG1-CB 3.7Å; V343-H405 VanDerWaalsContact CG1-CD2 3.47Å; V343-H405 WeakPolarHBondContact CG1-CD2 3.48Å; V343-H405 PolarHBondContact O-NE2 3.18Å
344S85.1Confident78.5Confident49 Ų4950.6 Ų50.634%0.34326%0.26SS..Hα-helixtrans-60.2-29-179.267.80000112.4N340 E341N340-S344 VanDerWaalsContact O-CB 3.24Å; N340-S344 WeakPolarHBondContact O-CB 3.18Å; N340-S344 PolarHBondContact O-N 2.92Å; N340-S344 PolarHBondContact O-OG 3.38Å; E341-S344 PolarHBondContact O-OG 2.77Å; E341-S344 VanDerWaalsContact O-OG 3.13Å
345K81.1Confident77.5Confident60 Ų6049.5 Ų49.526%0.26125%0.254SS..SBendtrans-84.1134.1176.8-60.4-164179.9179.20111.3F258 S259 L263 V343 C347F258-K345 VanDerWaalsContact O-CE 3.23Å; F258-K345 WeakPolarHBondContact O-CE 3.49Å; F258-K345 PolarHBondContact O-NZ 2.75Å; S259-K345 PolarHBondContact O-NZ 2.85Å; L263-K345 HydrophobicContact CD1-CB 3.98Å; L263-K345 HydrophobicContact CD1-CD 3.65Å; L263-K345 HydrophobicContact CD1-CG 4.09Å; L263-K345 HydrophobicContact CG-CD 4.14Å; V343-K345 PolarHBondContact O-N 3.34Å; K345-C347 PolarHBondContact O-N 2.74Å
346N70.1Confident76.4Confident110 Ų11050 Ų5059%0.58826%0.257SS*.  trans-69.547.2172.9-91.7-50.9000113.1V404 R408N346-V404 WeakPolarHBondContact OD1-CG1 3.49Å; N346-R408 PolarHBondContact OD1-NH2 3Å
347C68.6Low75.4Confident11 Ų1152.1 Ų52.17%0.07427%0.268CS..  trans-70.5150.2-178.161.50000112.4L263 K345 R408L263-C347 HydrophobicContact CB-CB 4.11Å; K345-C347 PolarHBondContact O-N 2.74Å; C347-R408 PolarHBondContact O-NH1 3.2Å
348V64.3Low74.5Confident84 Ų8452.8 Ų52.851%0.50927%0.266SS..  trans-129.589.3170.5-177.40000106.4F352V348-F352 HydrophobicContact CB-CD2 4.06Å; V348-F352 HydrophobicContact CB-CE2 4.19Å; V348-F352 HydrophobicContact CG1-CB 4.25Å; V348-F352 HydrophobicContact CG1-CD2 3.5Å; V348-F352 HydrophobicContact CG1-CE2 3.89Å; V348-F352 HydrophobicContact CG1-CG 3.88Å; V348-F352 HydrophobicContact CG2-CD2 4.48Å; V348-F352 HydrophobicContact CG2-CE2 4.11Å
349P63.1Low73.7Confident10 Ų1053 Ų537%0.06527%0.267CS..  trans-62.9159.9178.4-27.238.5000112.9S264 D351 F352 Y355S264-P349 WeakPolarHBondContact O-CA 3.16Å; P349-D351 VanDerWaalsContact C-N 3.26Å; P349-D351 PolarHBondContact O-N 3.47Å; P349-F352 WeakPolarHBondContact O-CA 3.22Å; P349-F352 WeakPolarHBondContact O-CB 3.43Å; P349-F352 PolarHBondContact O-N 3.31Å; P349-F352 VanDerWaalsContact O-N 3.12Å; P349-Y355 HydrophobicContact CB-CG 4.43Å; P349-Y355 HydrophobicContact CG-CD1 3.81Å; P349-Y355 HydrophobicContact CG-CD2 4.01Å; P349-Y355 HydrophobicContact CG-CE1 4.19Å; P349-Y355 HydrophobicContact CG-CE2 4.38Å; P349-Y355 HydrophobicContact CG-CG 3.71Å
350M58.7Low73Confident175 Ų17553.2 Ų53.286%0.86227%0.268SS*.THydrogen-bonded Turntrans-58.2-37.3178.4-65.8-72-90.900112.3F352M350-F352 PolarHBondContact O-N 3.09Å
351D63.4Low72.3Confident102 Ų10253.9 Ų53.955%0.54527%0.271SS..THydrogen-bonded Turntrans-99.156.7171-61.1-43.7000111P349 E353 E354 Y355P349-D351 VanDerWaalsContact C-N 3.26Å; P349-D351 PolarHBondContact O-N 3.47Å; D351-E353 VanDerWaalsContact C-N 3.32Å; D351-E353 PolarHBondContact O-N 2.68Å; D351-E354 HydrophobicContact CB-CB 4.49Å; D351-E354 PolarHBondContact O-N 2.94Å; D351-Y355 PolarHBondContact O-N 2.84Å
352F64.3Low71.6Confident58 Ų5850.9 Ų50.925%0.25426%0.257SS..Hα-helixtrans-53.2-42.9-170.1-177.5-115.1000114.4V348 P349 M350 L356 R408V348-F352 HydrophobicContact CB-CD2 4.06Å; V348-F352 HydrophobicContact CB-CE2 4.19Å; V348-F352 HydrophobicContact CG1-CB 4.25Å; V348-F352 HydrophobicContact CG1-CD2 3.5Å; V348-F352 HydrophobicContact CG1-CE2 3.89Å; V348-F352 HydrophobicContact CG1-CG 3.88Å; V348-F352 HydrophobicContact CG2-CD2 4.48Å; V348-F352 HydrophobicContact CG2-CE2 4.11Å; P349-F352 WeakPolarHBondContact O-CA 3.22Å; P349-F352 WeakPolarHBondContact O-CB 3.43Å; P349-F352 PolarHBondContact O-N 3.31Å; P349-F352 VanDerWaalsContact O-N 3.12Å; M350-F352 PolarHBondContact O-N 3.09Å; F352-L356 HydrophobicContact CD1-CD1 4.02Å; F352-L356 HydrophobicContact CD2-CD1 4.23Å; F352-L356 HydrophobicContact CD2-CG 4.48Å; F352-L356 HydrophobicContact CE1-CD1 3.4Å; F352-L356 HydrophobicContact CE2-CD1 3.65Å; F352-L356 HydrophobicContact CE2-CG 4.1Å; F352-L356 HydrophobicContact CG-CD1 4.41Å; F352-L356 HydrophobicContact CZ-CD1 3.2Å; F352-L356 HydrophobicContact CZ-CG 4.15Å; F352-L356 PolarHBondContact O-N 3.41Å; F352-R408 HydrophobicContact CZ-CB 4.45Å
353E64.2Low71.3Confident169 Ų16950.8 Ų50.879%0.7926%0.256SS*.Hα-helixtrans-68.5-42.7-178-68.6-172.3167.600112D351 L356 L357D351-E353 VanDerWaalsContact C-N 3.32Å; D351-E353 PolarHBondContact O-N 2.68Å; E353-L356 PolarHBondContact O-N 3.21Å; E353-L357 VanDerWaalsContact O-CB 3.22Å; E353-L357 WeakPolarHBondContact O-CB 3.4Å; E353-L357 PolarHBondContact O-N 3.5Å
354E68Low71.1Confident83 Ų8351 Ų5139%0.38826%0.258SS..Hα-helixtrans-69.3-38.7179.1-170.1177.418000111.5D351 L357 R358D351-E354 HydrophobicContact CB-CB 4.49Å; D351-E354 PolarHBondContact O-N 2.94Å; E354-L357 PolarHBondContact O-N 3.04Å; E354-R358 WeakPolarHBondContact O-CB 3.39Å; E354-R358 WeakPolarHBondContact O-CG 3.47Å; E354-R358 PolarHBondContact O-N 3.38Å; E354-R358 IonicContact OE1-CZ 2.82Å; E354-R358 VanDerWaalsContact OE1-CZ 3.27Å; E354-R358 IonicContact OE1-NE 3.29Å; E354-R358 PolarHBondContact OE1-NE 3.25Å; E354-R358 VanDerWaalsContact OE1-NE 3.17Å; E354-R358 IonicContact OE1-NH2 3.2Å; E354-R358 PolarHBondContact OE1-NH2 3.24Å
355Y70.8Confident70.9Confident8 Ų849.4 Ų49.43%0.03124%0.244CC..Hα-helixtrans-58.6-53173.8175.3-98.6000111.6I267 L272 P349 D351 L357 R358 M359I267-Y355 HydrophobicContact CD1-CE2 4.23Å; I267-Y355 HydrophobicContact CG2-CD2 4.33Å; I267-Y355 HydrophobicContact CG2-CE2 3.98Å; L272-Y355 HydrophobicContact CD1-CE2 4.05Å; L272-Y355 HydrophobicContact CD2-CD2 3.8Å; L272-Y355 HydrophobicContact CD2-CE2 3.84Å; L272-Y355 HydrophobicContact CG-CE2 4.5Å; P349-Y355 HydrophobicContact CB-CG 4.43Å; P349-Y355 HydrophobicContact CG-CD1 3.81Å; P349-Y355 HydrophobicContact CG-CD2 4.01Å; P349-Y355 HydrophobicContact CG-CE1 4.19Å; P349-Y355 HydrophobicContact CG-CE2 4.38Å; P349-Y355 HydrophobicContact CG-CG 3.71Å; D351-Y355 PolarHBondContact O-N 2.84Å; Y355-L357 VanDerWaalsContact C-N 3.34Å; Y355-L357 PolarHBondContact O-N 3.46Å; Y355-R358 PolarHBondContact O-N 3.42Å; Y355-M359 HydrophobicContact CD1-CG 4.21Å; Y355-M359 HydrophobicContact CE1-CG 3.89Å; Y355-M359 HydrophobicContact CE2-CG 4.22Å; Y355-M359 HydrophobicContact CE2-SD 4.46Å; Y355-M359 WeakPolarHBondContact O-CB 3.36Å; Y355-M359 VanDerWaalsContact O-CG 3.25Å; Y355-M359 WeakPolarHBondContact O-CG 3.39Å; Y355-M359 PolarHBondContact O-N 3.31Å
356L68.5Low70.9Confident10 Ų1046.6 Ų46.65%0.05223%0.232CC..Hα-helixtrans-64.2-38.6179.6-79.1178000112.5F352 E353 M359 F360 H405 R408 I409F352-L356 HydrophobicContact CD1-CD1 4.02Å; F352-L356 HydrophobicContact CD2-CD1 4.23Å; F352-L356 HydrophobicContact CD2-CG 4.48Å; F352-L356 HydrophobicContact CE1-CD1 3.4Å; F352-L356 HydrophobicContact CE2-CD1 3.65Å; F352-L356 HydrophobicContact CE2-CG 4.1Å; F352-L356 HydrophobicContact CG-CD1 4.41Å; F352-L356 HydrophobicContact CZ-CD1 3.2Å; F352-L356 HydrophobicContact CZ-CG 4.15Å; F352-L356 PolarHBondContact O-N 3.41Å; E353-L356 PolarHBondContact O-N 3.21Å; L356-M359 PolarHBondContact O-N 3.07Å; L356-F360 VanDerWaalsContact O-CB 3.29Å; L356-F360 WeakPolarHBondContact O-CB 3.33Å; L356-F360 PolarHBondContact O-N 3.36Å; L356-H405 HydrophobicContact CD2-CB 4.34Å; L356-R408 HydrophobicContact CD1-CB 4.23Å; L356-I409 HydrophobicContact CB-CG2 3.9Å; L356-I409 HydrophobicContact CD1-CG2 3.77Å; L356-I409 HydrophobicContact CD2-CG2 4.13Å; L356-I409 HydrophobicContact CG-CG2 4.18Å
357L71.9Confident71.6Confident45 Ų4541.3 Ų41.324%0.23620%0.204CC..Hα-helixtrans-63.9-44.4177.3-175.565.9000111.5E353 E354 Y355 F360 Q361 Q414E353-L357 VanDerWaalsContact O-CB 3.22Å; E353-L357 WeakPolarHBondContact O-CB 3.4Å; E353-L357 PolarHBondContact O-N 3.5Å; E354-L357 PolarHBondContact O-N 3.04Å; Y355-L357 VanDerWaalsContact C-N 3.34Å; Y355-L357 PolarHBondContact O-N 3.46Å; L357-F360 HydrophobicContact CD1-CD1 4.3Å; L357-F360 PolarHBondContact O-N 3.07Å; L357-Q361 WeakPolarHBondContact O-CB 3.46Å; L357-Q361 VanDerWaalsContact O-CG 3.26Å; L357-Q361 WeakPolarHBondContact O-CG 3.05Å; L357-Q361 PolarHBondContact O-N 3.2Å; L357-Q414 HydrophobicContact CD1-CB 3.93Å; L357-Q414 VanDerWaalsContact CD1-OE1 3.24Å; L357-Q414 VanDerWaalsContact CD2-OE1 3.31Å
358R73.6Confident72.3Confident51 Ų5143 Ų4319%0.19221%0.21CC..Hα-helixtrans-66.1-46.1176.4-73.2-177.5-173.7-152.73.4111.6P269 L272 E354 Y355 F360 Q361 Q362P269-R358 PolarHBondContact O-NH1 2.99Å; L272-R358 HydrophobicContact CD2-CB 4.12Å; E354-R358 WeakPolarHBondContact O-CB 3.39Å; E354-R358 WeakPolarHBondContact O-CG 3.47Å; E354-R358 PolarHBondContact O-N 3.38Å; E354-R358 IonicContact OE1-CZ 2.82Å; E354-R358 VanDerWaalsContact OE1-CZ 3.27Å; E354-R358 IonicContact OE1-NE 3.29Å; E354-R358 PolarHBondContact OE1-NE 3.25Å; E354-R358 VanDerWaalsContact OE1-NE 3.17Å; E354-R358 IonicContact OE1-NH2 3.2Å; E354-R358 PolarHBondContact OE1-NH2 3.24Å; Y355-R358 PolarHBondContact O-N 3.42Å; R358-F360 VanDerWaalsContact C-N 3.27Å; R358-F360 PolarHBondContact O-N 3.25Å; R358-Q361 PolarHBondContact O-N 3.23Å; R358-Q362 VanDerWaalsContact O-CG 3.23Å; R358-Q362 WeakPolarHBondContact O-CG 3.24Å; R358-Q362 PolarHBondContact O-N 3Å
359M73.8Confident73Confident5 Ų540.2 Ų40.23%0.02519%0.191CC..Hα-helixtrans-51.3-49.5173.5-79.1-62.4-54.500111.3L272 F276 V343 Y355 L356 Q362 T363 F397L272-M359 HydrophobicContact CD1-SD 3.64Å; L272-M359 HydrophobicContact CD2-CG 3.9Å; L272-M359 HydrophobicContact CD2-SD 3.83Å; L272-M359 HydrophobicContact CG-SD 4.17Å; F276-M359 HydrophobicContact CE2-CE 4.03Å; F276-M359 HydrophobicContact CE2-SD 3.42Å; F276-M359 WeakPolarHBondContact CE2-SD 3.22Å; F276-M359 HydrophobicContact CZ-CE 3.65Å; F276-M359 HydrophobicContact CZ-SD 3.71Å; V343-M359 HydrophobicContact CG2-CE 3.27Å; Y355-M359 HydrophobicContact CD1-CG 4.21Å; Y355-M359 HydrophobicContact CE1-CG 3.89Å; Y355-M359 HydrophobicContact CE2-CG 4.22Å; Y355-M359 HydrophobicContact CE2-SD 4.46Å; Y355-M359 WeakPolarHBondContact O-CB 3.36Å; Y355-M359 VanDerWaalsContact O-CG 3.25Å; Y355-M359 WeakPolarHBondContact O-CG 3.39Å; Y355-M359 PolarHBondContact O-N 3.31Å; L356-M359 PolarHBondContact O-N 3.07Å; M359-Q362 PolarHBondContact O-N 2.94Å; M359-T363 WeakPolarHBondContact O-CB 3.42Å; M359-T363 PolarHBondContact O-N 3.39Å; M359-T363 PolarHBondContact O-OG1 3.31Å; M359-F397 HydrophobicContact CE-CE2 3.82Å; M359-F397 HydrophobicContact CE-CZ 4.24Å
360F75.3Confident73.9Confident4 Ų439.8 Ų39.82%0.01819%0.188CC..Hα-helixtrans-61.7-52.3177.2157.7-118.9000112.1F223 L356 L357 R358 Q362 T363 F364 Q414 F415 P416F223-F360 HydrophobicContact CE1-CD1 4.44Å; F223-F360 AromaticContact CE1-CE1 3.69Å; F223-F360 HydrophobicContact CE1-CE1 3.69Å; F223-F360 HydrophobicContact CE1-CZ 4.49Å; F223-F360 HydrophobicContact CZ-CD1 4.46Å; F223-F360 AromaticContact CZ-CE1 3.49Å; F223-F360 HydrophobicContact CZ-CE1 3.49Å; F223-F360 VanDerWaalsContact CZ-CE1 3.49Å; F223-F360 AromaticContact CZ-CZ 3.86Å; F223-F360 HydrophobicContact CZ-CZ 3.86Å; L356-F360 VanDerWaalsContact O-CB 3.29Å; L356-F360 WeakPolarHBondContact O-CB 3.33Å; L356-F360 PolarHBondContact O-N 3.36Å; L357-F360 HydrophobicContact CD1-CD1 4.3Å; L357-F360 PolarHBondContact O-N 3.07Å; R358-F360 VanDerWaalsContact C-N 3.27Å; R358-F360 PolarHBondContact O-N 3.25Å; F360-Q362 PolarHBondContact O-N 2.97Å; F360-T363 WeakPolarHBondContact O-CA 3.29Å; F360-T363 WeakPolarHBondContact O-CB 3.35Å; F360-T363 PolarHBondContact O-N 3.18Å; F360-F364 HydrophobicContact CD2-CB 4.28Å; F360-F364 HydrophobicContact CE2-CB 3.66Å; F360-F364 AromaticContact CE2-CD2 3.88Å; F360-F364 HydrophobicContact CE2-CD2 3.88Å; F360-F364 HydrophobicContact CE2-CG 4.07Å; F360-F364 HydrophobicContact CZ-CB 4.13Å; F360-F364 HydrophobicContact CZ-CD2 4.2Å; F360-F364 HydrophobicContact CZ-CG 4.27Å; F360-F364 WeakPolarHBondContact O-CB 3.44Å; F360-F364 PolarHBondContact O-N 3.19Å; F360-Q414 WeakPolarHBondContact CE1-O 3.42Å; F360-F415 AromaticContact CD1-CD2 3.89Å; F360-F415 HydrophobicContact CD1-CD2 3.89Å; F360-F415 AromaticContact CD2-CD2 3.19Å; F360-F415 HydrophobicContact CD2-CD2 3.19Å; F360-F415 AromaticContact CD2-CE2 3.18Å; F360-F415 HydrophobicContact CD2-CE2 3.18Å; F360-F415 AromaticContact CE1-CD2 3.87Å; F360-F415 HydrophobicContact CE1-CD2 3.87Å; F360-F415 AromaticContact CE2-CD2 3.19Å; F360-F415 HydrophobicContact CE2-CD2 3.19Å; F360-F415 AromaticContact CE2-CE2 3.24Å; F360-F415 HydrophobicContact CE2-CE2 3.24Å; F360-F415 HydrophobicContact CE2-CG 4.47Å; F360-F415 AromaticContact CG-CD2 3.57Å; F360-F415 HydrophobicContact CG-CD2 3.57Å; F360-F415 AromaticContact CG-CE2 3.98Å; F360-F415 HydrophobicContact CG-CE2 3.98Å; F360-F415 AromaticContact CZ-CD2 3.58Å; F360-F415 HydrophobicContact CZ-CD2 3.58Å; F360-F415 HydrophobicContact CZ-CE2 4.08Å; F360-P416 HydrophobicContact CZ-CG 3.99Å
361Q76.6Confident75Confident28 Ų2831.6 Ų31.613%0.13115%0.148CC..Hα-helixtrans-54.8-40.5-178.9-77.9171.50.100111.6F223 L357 R358 F365F223-Q361 HydrophobicContact CD1-CG 4Å; F223-Q361 HydrophobicContact CE1-CG 3.61Å; F223-Q361 HydrophobicContact CZ-CG 3.92Å; L357-Q361 WeakPolarHBondContact O-CB 3.46Å; L357-Q361 VanDerWaalsContact O-CG 3.26Å; L357-Q361 WeakPolarHBondContact O-CG 3.05Å; L357-Q361 PolarHBondContact O-N 3.2Å; R358-Q361 PolarHBondContact O-N 3.23Å; Q361-F365 WeakPolarHBondContact O-CB 3.38Å; Q361-F365 PolarHBondContact O-N 2.63Å
362Q76Confident75.2Confident4 Ų433.8 Ų33.82%0.01915%0.148CC..Hα-helixtrans-71.2-40.6177.1-61.1-65.9-13.400112.3Y228 F276 R358 M359 F360 F365 L366Y228-Q362 PolarHBondContact OH-NE2 3.16Å; F276-Q362 HydrophobicContact CB-CB 4.07Å; F276-Q362 HydrophobicContact CB-CG 3.72Å; F276-Q362 HydrophobicContact CD1-CB 3.38Å; F276-Q362 HydrophobicContact CD1-CG 3.99Å; F276-Q362 HydrophobicContact CD2-CB 3.99Å; F276-Q362 HydrophobicContact CD2-CG 3.83Å; F276-Q362 HydrophobicContact CE1-CB 3.68Å; F276-Q362 HydrophobicContact CE2-CB 4.26Å; F276-Q362 HydrophobicContact CE2-CG 4.43Å; F276-Q362 HydrophobicContact CG-CB 3.54Å; F276-Q362 HydrophobicContact CG-CG 3.57Å; F276-Q362 HydrophobicContact CZ-CB 4.11Å; R358-Q362 VanDerWaalsContact O-CG 3.23Å; R358-Q362 WeakPolarHBondContact O-CG 3.24Å; R358-Q362 PolarHBondContact O-N 3Å; M359-Q362 PolarHBondContact O-N 2.94Å; F360-Q362 PolarHBondContact O-N 2.97Å; Q362-F365 PolarHBondContact O-N 2.58Å; Q362-L366 WeakPolarHBondContact O-CB 3.37Å; Q362-L366 WeakPolarHBondContact O-CG 3.49Å; Q362-L366 PolarHBondContact O-N 3.08Å
363T77.3Confident75.3Confident0 Ų035.1 Ų35.10%016%0.155CC..Hα-helixtrans-56.6-52.3174-53.60000110.7M359 F360 F365 L366 L367 F397 L398 F401 F420M359-T363 WeakPolarHBondContact O-CB 3.42Å; M359-T363 PolarHBondContact O-N 3.39Å; M359-T363 PolarHBondContact O-OG1 3.31Å; F360-T363 WeakPolarHBondContact O-CA 3.29Å; F360-T363 WeakPolarHBondContact O-CB 3.35Å; F360-T363 PolarHBondContact O-N 3.18Å; T363-F365 PolarHBondContact O-N 3.25Å; T363-L366 PolarHBondContact O-N 3.18Å; T363-L367 VanDerWaalsContact O-CB 3.29Å; T363-L367 WeakPolarHBondContact O-CB 3.5Å; T363-L367 PolarHBondContact O-N 2.71Å; T363-F397 HydrophobicContact CG2-CE1 3.71Å; T363-F397 HydrophobicContact CG2-CZ 4.13Å; T363-F397 WeakPolarHBondContact OG1-CE1 3.36Å; T363-F397 WeakPolarHBondContact OG1-CZ 3.44Å; T363-L398 HydrophobicContact CG2-CD2 4Å; T363-F401 HydrophobicContact CG2-CD1 4.37Å; T363-F401 HydrophobicContact CG2-CE1 4.41Å; T363-F420 HydrophobicContact CG2-CE2 4.14Å
364F77.8Confident75.1Confident6 Ų634.8 Ų34.83%0.02616%0.159CC..Hα-helixtrans-62.5-44.8179.9-167.8-90.8000111.1F360 L367 Q368 P416 E419 F420 L423F360-F364 HydrophobicContact CD2-CB 4.28Å; F360-F364 HydrophobicContact CE2-CB 3.66Å; F360-F364 AromaticContact CE2-CD2 3.88Å; F360-F364 HydrophobicContact CE2-CD2 3.88Å; F360-F364 HydrophobicContact CE2-CG 4.07Å; F360-F364 HydrophobicContact CZ-CB 4.13Å; F360-F364 HydrophobicContact CZ-CD2 4.2Å; F360-F364 HydrophobicContact CZ-CG 4.27Å; F360-F364 WeakPolarHBondContact O-CB 3.44Å; F360-F364 PolarHBondContact O-N 3.19Å; F364-L367 PolarHBondContact O-N 3.46Å; F364-Q368 WeakPolarHBondContact O-CB 3.34Å; F364-Q368 PolarHBondContact O-N 2.82Å; F364-P416 HydrophobicContact CE2-CG 4.4Å; F364-E419 HydrophobicContact CE2-CB 3.78Å; F364-E419 HydrophobicContact CZ-CB 3.91Å; F364-E419 WeakPolarHBondContact CZ-OE2 3.48Å; F364-F420 HydrophobicContact CD2-CB 4.43Å; F364-L423 HydrophobicContact CD1-CD1 4.32Å; F364-L423 HydrophobicContact CD2-CD1 3.83Å; F364-L423 HydrophobicContact CE1-CD1 4.05Å; F364-L423 HydrophobicContact CE2-CD1 3.53Å; F364-L423 HydrophobicContact CE2-CG 4.49Å; F364-L423 HydrophobicContact CG-CD1 4.23Å; F364-L423 HydrophobicContact CZ-CD1 3.65Å
365F80.7Confident75.2Confident15 Ų1535 Ų357%0.06616%0.163CC..Hα-helixtrans-60.5-48.1177.5174.3-90.1000112.4L219 L232 R280 Q361 Q362 T363 Q368 R369L219-F365 HydrophobicContact CD1-CD2 3.93Å; L232-F365 HydrophobicContact CB-CD2 4.14Å; L232-F365 HydrophobicContact CB-CE2 3.99Å; L232-F365 HydrophobicContact CB-CZ 4.47Å; L232-F365 HydrophobicContact CD2-CD1 4.31Å; L232-F365 HydrophobicContact CD2-CG 4.38Å; L232-F365 WeakPolarHBondContact O-CE2 3.38Å; L232-F365 WeakPolarHBondContact O-CZ 3.42Å; R280-F365 HydrophobicContact CG-CE1 4.03Å; Q361-F365 WeakPolarHBondContact O-CB 3.38Å; Q361-F365 PolarHBondContact O-N 2.63Å; Q362-F365 PolarHBondContact O-N 2.58Å; T363-F365 PolarHBondContact O-N 3.25Å; F365-Q368 PolarHBondContact O-N 2.81Å; F365-R369 VanDerWaalsContact O-CB 3.24Å; F365-R369 WeakPolarHBondContact O-CB 3.42Å; F365-R369 PolarHBondContact O-N 3.1Å
366L82.6Confident75.3Confident0 Ų037.1 Ų37.10%018%0.183CC..Hα-helixtrans-64-46.3179.5-73.2175.8000111F276 R280 M336 Q362 T363 Q368 R369 L370 F394F276-L366 HydrophobicContact CD1-CD1 4Å; F276-L366 HydrophobicContact CE1-CD1 4.26Å; R280-L366 HydrophobicContact CB-CD2 4.47Å; R280-L366 HydrophobicContact CG-CD2 3.68Å; M336-L366 HydrophobicContact SD-CD1 4.28Å; Q362-L366 WeakPolarHBondContact O-CB 3.37Å; Q362-L366 WeakPolarHBondContact O-CG 3.49Å; Q362-L366 PolarHBondContact O-N 3.08Å; T363-L366 PolarHBondContact O-N 3.18Å; L366-Q368 PolarHBondContact O-N 3.12Å; L366-R369 WeakPolarHBondContact O-CB 3.29Å; L366-R369 PolarHBondContact O-N 2.63Å; L366-R369 VanDerWaalsContact O-N 3.14Å; L366-L370 WeakPolarHBondContact O-CG 3.46Å; L366-L370 PolarHBondContact O-N 3.4Å; L366-F394 HydrophobicContact CB-CE2 3.67Å; L366-F394 HydrophobicContact CB-CZ 4.21Å; L366-F394 HydrophobicContact CD1-CE2 4.19Å
367L84Confident75.7Confident0 Ų043.8 Ų43.80%021%0.213CC..Hα-helixtrans-62.9-44.4178.6-170.163.3000111.5T363 F364 R369 L370 T371 F394 L398 F420 L423 Y427T363-L367 VanDerWaalsContact O-CB 3.29Å; T363-L367 WeakPolarHBondContact O-CB 3.5Å; T363-L367 PolarHBondContact O-N 2.71Å; F364-L367 PolarHBondContact O-N 3.46Å; L367-R369 VanDerWaalsContact C-N 3.29Å; L367-R369 PolarHBondContact O-N 3.31Å; L367-L370 PolarHBondContact O-N 2.96Å; L367-T371 WeakPolarHBondContact O-CB 3.5Å; L367-T371 WeakPolarHBondContact O-CG2 3.38Å; L367-T371 PolarHBondContact O-N 3.43Å; L367-T371 PolarHBondContact O-OG1 3.49Å; L367-F394 HydrophobicContact CB-CZ 4.08Å; L367-F394 HydrophobicContact CD1-CE1 3.77Å; L367-F394 HydrophobicContact CD1-CZ 3.96Å; L367-L398 HydrophobicContact CD1-CD1 4.08Å; L367-L398 HydrophobicContact CD2-CD2 4.46Å; L367-F420 HydrophobicContact CD2-CD2 4.18Å; L367-F420 HydrophobicContact CD2-CE2 4.04Å; L367-L423 HydrophobicContact CD2-CB 3.55Å; L367-L423 HydrophobicContact CG-CB 3.8Å; L367-Y427 HydrophobicContact CD1-CD1 4.4Å; L367-Y427 HydrophobicContact CD1-CD2 4.05Å; L367-Y427 HydrophobicContact CD1-CG 3.82Å
368Q82.9Confident75.9Confident45 Ų4543.9 Ų43.921%0.2122%0.215CC..Hα-helixtrans-62.8-37.3174.2-172.1-177.822.600111.2F364 F365 L366 T371 R372 L423F364-Q368 WeakPolarHBondContact O-CB 3.34Å; F364-Q368 PolarHBondContact O-N 2.82Å; F365-Q368 PolarHBondContact O-N 2.81Å; L366-Q368 PolarHBondContact O-N 3.12Å; Q368-T371 CarbonylContact O-C 3.22Å; Q368-T371 PolarHBondContact O-N 3.35Å; Q368-R372 WeakPolarHBondContact O-CA 3.35Å; Q368-R372 VanDerWaalsContact O-CB 3.27Å; Q368-R372 WeakPolarHBondContact O-CB 3.48Å; Q368-R372 PolarHBondContact O-N 2.99Å; Q368-L423 HydrophobicContact CB-CD1 3.92Å; Q368-L423 HydrophobicContact CB-CD2 4.42Å; Q368-L423 HydrophobicContact CG-CD2 4.45Å
369R79.6Confident76.2Confident27 Ų2741.6 Ų41.610%0.10221%0.207CC..Hα-helixtrans-66.3-41.1177.8-171.5178.8-168.116021.9111.4R280 C283 D284 F365 L366 L367 T371 R372 R382R280-R369 VanDerWaalsContact NE-NH1 3.19Å; C283-R369 HydrophobicContact CB-CG 4.44Å; D284-R369 IonicContact OD1-CZ 3.47Å; D284-R369 IonicContact OD1-NE 2.58Å; D284-R369 IonicContact OD1-NH2 2.74Å; D284-R369 PolarHBondContact OD1-NH2 3.02Å; D284-R369 IonicContact OD2-CZ 2.63Å; D284-R369 IonicContact OD2-NH1 3.2Å; D284-R369 PolarHBondContact OD2-NH1 2.94Å; D284-R369 IonicContact OD2-NH2 3.41Å; D284-R369 PolarHBondContact OD2-NH2 3.5Å; F365-R369 VanDerWaalsContact O-CB 3.24Å; F365-R369 WeakPolarHBondContact O-CB 3.42Å; F365-R369 PolarHBondContact O-N 3.1Å; L366-R369 WeakPolarHBondContact O-CB 3.29Å; L366-R369 PolarHBondContact O-N 2.63Å; L366-R369 VanDerWaalsContact O-N 3.14Å; L367-R369 VanDerWaalsContact C-N 3.29Å; L367-R369 PolarHBondContact O-N 3.31Å; R369-T371 VanDerWaalsContact C-N 3.35Å; R369-R372 WeakPolarHBondContact O-CB 3.49Å; R369-R382 PolarHBondContact O-NH1 2.87Å; R369-R382 PolarHBondContact O-NH2 2.92Å
370L82.1Confident76.7Confident0 Ų044 Ų440%022%0.217CC..Hα-helixtrans-67.2-37176.3-70.1170.8000111.7C283 L366 L367 L383 L386 F394 Y427C283-L370 HydrophobicContact CB-CD2 4.19Å; L366-L370 WeakPolarHBondContact O-CG 3.46Å; L366-L370 PolarHBondContact O-N 3.4Å; L367-L370 PolarHBondContact O-N 2.96Å; L370-L383 HydrophobicContact CB-CD2 4.33Å; L370-L383 HydrophobicContact CD2-CD2 4.27Å; L370-L386 HydrophobicContact CD2-CD1 3.36Å; L370-F394 HydrophobicContact CD1-CD1 3.5Å; L370-F394 HydrophobicContact CD1-CD2 4.3Å; L370-F394 HydrophobicContact CD1-CE1 3.3Å; L370-F394 HydrophobicContact CD1-CE2 4.14Å; L370-F394 HydrophobicContact CD1-CG 4.01Å; L370-F394 HydrophobicContact CD1-CZ 3.66Å; L370-Y427 HydrophobicContact CD1-CE2 4.28Å
371T80.9Confident77Confident3 Ų346.1 Ų46.12%0.01823%0.233CC..THydrogen-bonded Turntrans-102.519.2-177.160.30000113.8L367 Q368 R369 E373 L423 K426 Y427L367-T371 WeakPolarHBondContact O-CB 3.5Å; L367-T371 WeakPolarHBondContact O-CG2 3.38Å; L367-T371 PolarHBondContact O-N 3.43Å; L367-T371 PolarHBondContact O-OG1 3.49Å; Q368-T371 CarbonylContact O-C 3.22Å; Q368-T371 PolarHBondContact O-N 3.35Å; R369-T371 VanDerWaalsContact C-N 3.35Å; T371-E373 PolarHBondContact O-N 3.2Å; T371-E373 VanDerWaalsContact O-N 3.12Å; T371-L423 WeakPolarHBondContact OG1-CD2 3.38Å; T371-K426 HydrophobicContact CG2-CB 4.04Å; T371-Y427 HydrophobicContact CG2-CD2 4.49Å
372R68.1Low77.3Confident148 Ų14846.2 Ų46.256%0.55823%0.232SC*.  trans-60.4-27.9-166-175.6177.4176.7178.13.7114.5Q368 R369Q368-R372 WeakPolarHBondContact O-CA 3.35Å; Q368-R372 VanDerWaalsContact O-CB 3.27Å; Q368-R372 WeakPolarHBondContact O-CB 3.48Å; Q368-R372 PolarHBondContact O-N 2.99Å; R369-R372 WeakPolarHBondContact O-CB 3.49Å
373E66.9Low77.8Confident86 Ų8646.2 Ų46.240%0.40223%0.232SC..SBendtrans-90.8141.8-170.2-59.2-167.1-173.400111.4T371 N375 T378 V379T371-E373 PolarHBondContact O-N 3.2Å; T371-E373 VanDerWaalsContact O-N 3.12Å; E373-N375 PolarHBondContact O-N 2.65Å; E373-T378 VanDerWaalsContact CB-OG1 3.22Å; E373-T378 WeakPolarHBondContact CB-OG1 3.26Å; E373-T378 WeakPolarHBondContact OE2-CB 3.35Å; E373-T378 PolarHBondContact OE2-OG1 3.29Å; E373-V379 HydrophobicContact CB-CG2 4.23Å; E373-V379 VanDerWaalsContact O-CG2 3.3Å; E373-V379 WeakPolarHBondContact O-CG2 3.43Å
374N59.2Low78.2Confident163 Ų16351.4 Ų51.487%0.87226%0.256SS*.SBendtrans-75.1-12.8-174.8-71.1-15.7000113.2
375N71.2Confident78.5Confident86 Ų8655.5 Ų55.546%0.4628%0.275SS..SBendtrans-103.6128.7-178.1-170.1-1.5000111.2E373 H377 T378 V379E373-N375 PolarHBondContact O-N 2.65Å; N375-H377 VanDerWaalsContact C-N 3.3Å; N375-H377 PolarHBondContact O-N 3.48Å; N375-H377 PolarHBondContact OD1-N 3.48Å; N375-T378 HydrophobicContact CB-CG2 4.13Å; N375-T378 PolarHBondContact O-N 3.41Å; N375-T378 VanDerWaalsContact O-N 3.13Å; N375-T378 PolarHBondContact O-OG1 3.23Å; N375-V379 PolarHBondContact O-N 3.08Å; N375-V379 VanDerWaalsContact O-N 3.14Å
376A73.4Confident78.8Confident54 Ų5455.6 Ų55.645%0.44628%0.277SS..Hα-helixtrans-57.1-41.2-179.900000112.5T378 V379 K380 N430A376-T378 VanDerWaalsContact C-N 3.27Å; A376-T378 PolarHBondContact O-N 2.97Å; A376-V379 PolarHBondContact O-N 3.25Å; A376-K380 PolarHBondContact O-N 3.21Å; A376-N430 PolarHBondContact O-OD1 3.48Å
377H75Confident78.9Confident150 Ų15058.6 Ų58.669%0.69429%0.293SS*.Hα-helixtrans-60.8-36.7178.5-77-66.3000113.1N375 S381N375-H377 VanDerWaalsContact C-N 3.3Å; N375-H377 PolarHBondContact O-N 3.48Å; N375-H377 PolarHBondContact OD1-N 3.48Å; H377-S381 WeakPolarHBondContact O-CB 3.49Å; H377-S381 PolarHBondContact O-N 2.86Å
378T77.7Confident79.1Confident46 Ų4664.9 Ų64.928%0.28232%0.322SS..Hα-helixtrans-82.1-30.4-17769.10000111.8E373 N375 A376 R382E373-T378 VanDerWaalsContact CB-OG1 3.22Å; E373-T378 WeakPolarHBondContact CB-OG1 3.26Å; E373-T378 WeakPolarHBondContact OE2-CB 3.35Å; E373-T378 PolarHBondContact OE2-OG1 3.29Å; N375-T378 HydrophobicContact CB-CG2 4.13Å; N375-T378 PolarHBondContact O-N 3.41Å; N375-T378 VanDerWaalsContact O-N 3.13Å; N375-T378 PolarHBondContact O-OG1 3.23Å; A376-T378 VanDerWaalsContact C-N 3.27Å; A376-T378 PolarHBondContact O-N 2.97Å; T378-R382 VanDerWaalsContact O-CB 3.22Å; T378-R382 WeakPolarHBondContact O-CB 3.48Å; T378-R382 PolarHBondContact O-N 3.35Å
379V80.1Confident79.4Confident3 Ų365.5 Ų65.52%0.01833%0.331CS..Hα-helixtrans-63.3-47167.6179.50000110.8E373 N375 A376 R382 L383 N430E373-V379 HydrophobicContact CB-CG2 4.23Å; E373-V379 VanDerWaalsContact O-CG2 3.3Å; E373-V379 WeakPolarHBondContact O-CG2 3.43Å; N375-V379 PolarHBondContact O-N 3.08Å; N375-V379 VanDerWaalsContact O-N 3.14Å; A376-V379 PolarHBondContact O-N 3.25Å; V379-R382 WeakPolarHBondContact O-CB 3.34Å; V379-R382 PolarHBondContact O-N 3.21Å; V379-L383 HydrophobicContact CG1-CD1 4.19Å; V379-L383 WeakPolarHBondContact O-CG 3.48Å; V379-L383 PolarHBondContact O-N 3.47Å; V379-N430 HydrophobicContact CB-CB 4.27Å; V379-N430 HydrophobicContact CG1-CB 3.7Å
380K83.3Confident79.9Confident56 Ų5664.3 Ų64.324%0.24333%0.327CS..Hα-helixtrans-61.1-48.9177.9-174.6174.2-179.21760112.1A376 R382 L383 Q384 N430A376-K380 PolarHBondContact O-N 3.21Å; K380-R382 PolarHBondContact O-N 3.33Å; K380-L383 PolarHBondContact O-N 3.12Å; K380-Q384 WeakPolarHBondContact O-CG 3.39Å; K380-Q384 PolarHBondContact O-N 2.89Å; K380-N430 HydrophobicContact CB-CB 4.47Å
381S82.2Confident80.4Confident49 Ų4964.9 Ų64.934%0.34333%0.33SS..Hα-helixtrans-56-42.4175.5-170.80000111.2H377 Q384 E385H377-S381 WeakPolarHBondContact O-CB 3.49Å; H377-S381 PolarHBondContact O-N 2.86Å; S381-Q384 PolarHBondContact O-N 3.04Å; S381-E385 WeakPolarHBondContact O-CG 3.46Å; S381-E385 PolarHBondContact O-N 2.97Å; S381-E385 PolarHBondContact OG-OE1 3.39Å
382R83.3Confident80.9Confident30 Ų3069.6 Ų69.611%0.11335%0.352CS..Hα-helixtrans-63.3-44.6178.5-174.6171.6-174.3-178.6-8.6112.4C283 L285 R369 T378 V379 K380 Q384 E385 L386C283-R382 PolarHBondContact O-NH2 3.49Å; C283-R382 VanDerWaalsContact O-NH2 3.08Å; L285-R382 HydrophobicContact CD1-CG 3.64Å; R369-R382 PolarHBondContact O-NH1 2.87Å; R369-R382 PolarHBondContact O-NH2 2.92Å; T378-R382 VanDerWaalsContact O-CB 3.22Å; T378-R382 WeakPolarHBondContact O-CB 3.48Å; T378-R382 PolarHBondContact O-N 3.35Å; V379-R382 WeakPolarHBondContact O-CB 3.34Å; V379-R382 PolarHBondContact O-N 3.21Å; K380-R382 PolarHBondContact O-N 3.33Å; R382-Q384 VanDerWaalsContact C-N 3.33Å; R382-E385 PolarHBondContact O-N 3.45Å; R382-L386 WeakPolarHBondContact O-CG 2.94Å
383L86.3Confident82Confident3 Ų365.7 Ų65.72%0.01634%0.339CS..Hα-helixtrans-66.6-36.3178.5-67.2175.6000111.8L370 V379 K380 E385 L386 L391 Y427 N430L370-L383 HydrophobicContact CB-CD2 4.33Å; L370-L383 HydrophobicContact CD2-CD2 4.27Å; V379-L383 HydrophobicContact CG1-CD1 4.19Å; V379-L383 WeakPolarHBondContact O-CG 3.48Å; V379-L383 PolarHBondContact O-N 3.47Å; K380-L383 PolarHBondContact O-N 3.12Å; L383-E385 VanDerWaalsContact C-N 3.3Å; L383-E385 PolarHBondContact O-N 3.32Å; L383-L386 HydrophobicContact CD2-CD1 3.95Å; L383-L386 PolarHBondContact O-N 3.44Å; L383-L391 HydrophobicContact CD2-CD1 3.99Å; L383-Y427 HydrophobicContact CD1-CD2 4.39Å; L383-Y427 HydrophobicContact CD2-CD2 4.35Å; L383-Y427 HydrophobicContact CD2-CE2 4.09Å; L383-N430 HydrophobicContact CD1-CB 4.09Å; L383-N430 WeakPolarHBondContact CD1-O 3.23Å
384Q85.7Confident83.2Confident109 Ų10961.6 Ų61.651%0.50932%0.32SS..Hα-helixtrans-65.3-30.4174.2-73.4178-25.600113.4K380 S381 R382 L386 P432K380-Q384 WeakPolarHBondContact O-CG 3.39Å; K380-Q384 PolarHBondContact O-N 2.89Å; S381-Q384 PolarHBondContact O-N 3.04Å; R382-Q384 VanDerWaalsContact C-N 3.33Å; Q384-L386 VanDerWaalsContact C-N 3.31Å; Q384-P432 HydrophobicContact CB-CB 4.49Å; Q384-P432 HydrophobicContact CG-CB 3.49Å; Q384-P432 VanDerWaalsContact CG-CB 3.49Å
385E84.2Confident84.9Confident92 Ų9254.2 Ų54.243%0.4328%0.281SS..THydrogen-bonded Turntrans-78.9-13.6179.3-76174.1-150.900114L285 K325 S381 R382 L383L285-E385 HydrophobicContact CD1-CB 4.06Å; L285-E385 HydrophobicContact CD2-CB 3.95Å; K325-E385 VanDerWaalsContact CE-O 3.25Å; K325-E385 WeakPolarHBondContact CE-O 3.29Å; K325-E385 PolarHBondContact NZ-O 3.11Å; S381-E385 WeakPolarHBondContact O-CG 3.46Å; S381-E385 PolarHBondContact O-N 2.97Å; S381-E385 PolarHBondContact OG-OE1 3.39Å; R382-E385 PolarHBondContact O-N 3.45Å; L383-E385 VanDerWaalsContact C-N 3.3Å; L383-E385 PolarHBondContact O-N 3.32Å
386L85.4Confident85.9Confident18 Ų1853.4 Ų53.49%0.09428%0.276CS..SBendtrans-76.4161.2178.8-63.9171.2000111.3G282 L285 L370 R382 L383 Q384G282-L386 VanDerWaalsContact O-CD2 3.22Å; G282-L386 WeakPolarHBondContact O-CD2 3.44Å; L285-L386 HydrophobicContact CD1-CD2 4.4Å; L285-L386 HydrophobicContact CD2-CD2 4.07Å; L285-L386 HydrophobicContact CG-CD2 4.21Å; L370-L386 HydrophobicContact CD2-CD1 3.36Å; R382-L386 WeakPolarHBondContact O-CG 2.94Å; L383-L386 HydrophobicContact CD2-CD1 3.95Å; L383-L386 PolarHBondContact O-N 3.44Å; Q384-L386 VanDerWaalsContact C-N 3.31Å
387D86.4Confident86.8Confident63 Ų6350.8 Ų50.834%0.33726%0.255SS..  trans-67.9130.9170.8-176.7-96.1000110.3A329 S389 Y390 L391A329-D387 HydrophobicContact CB-CB 3.58Å; D387-S389 PolarHBondContact O-N 2.9Å; D387-S389 WeakPolarHBondContact OD1-CB 3.46Å; D387-S389 PolarHBondContact OD1-N 2.72Å; D387-Y390 WeakPolarHBondContact O-CB 3.08Å; D387-Y390 PolarHBondContact O-N 3.29Å; D387-Y390 PolarHBondContact OD1-N 3.04Å; D387-Y390 VanDerWaalsContact OD1-N 3.1Å; D387-L391 PolarHBondContact O-N 3.02Å; D387-L391 VanDerWaalsContact O-N 3.09Å
388E87.9Confident87.6Confident132 Ų13243.7 Ų43.762%0.61722%0.222SC*.Hα-helixtrans-60.9-45.5-176.4-176.3172.3-159.700111.4Y390 L391 E392E388-Y390 VanDerWaalsContact C-N 3.26Å; E388-Y390 PolarHBondContact O-N 3.19Å; E388-L391 WeakPolarHBondContact O-CB 3.35Å; E388-L391 PolarHBondContact O-N 3Å; E388-E392 WeakPolarHBondContact O-CG 3.48Å; E388-E392 PolarHBondContact O-N 2.96Å
389S89.1Confident88.3Confident58 Ų5846.8 Ų46.841%0.40623%0.228SC..Hα-helixtrans-62.8-33.1177.4-57.20000112.2D387 K393D387-S389 PolarHBondContact O-N 2.9Å; D387-S389 WeakPolarHBondContact OD1-CB 3.46Å; D387-S389 PolarHBondContact OD1-N 2.72Å; S389-K393 VanDerWaalsContact O-CG 3.25Å; S389-K393 WeakPolarHBondContact O-CG 3.31Å; S389-K393 PolarHBondContact O-N 3.11Å; S389-K393 VanDerWaalsContact O-N 3.1Å
390Y90.6Very high88.8Confident1 Ų148.8 Ų48.80%0.00424%0.239CC..Hα-helixtrans-65.8-44.3172.7-177.1-94.4000111.9A279 C283 V333 M336 D387 E388 K393 F394A279-Y390 WeakPolarHBondContact O-CE2 3.22Å; A279-Y390 PolarHBondContact O-OH 3.2Å; C283-Y390 VanDerWaalsContact SG-CE1 3.59Å; C283-Y390 PolarHBondContact SG-OH 2.89Å; V333-Y390 HydrophobicContact CG2-CD2 4.38Å; M336-Y390 HydrophobicContact CB-CE2 4.44Å; M336-Y390 HydrophobicContact CG-CD2 4.01Å; M336-Y390 HydrophobicContact CG-CE2 3.36Å; M336-Y390 HydrophobicContact SD-CE2 4.49Å; D387-Y390 WeakPolarHBondContact O-CB 3.08Å; D387-Y390 PolarHBondContact O-N 3.29Å; D387-Y390 PolarHBondContact OD1-N 3.04Å; D387-Y390 VanDerWaalsContact OD1-N 3.1Å; E388-Y390 VanDerWaalsContact C-N 3.26Å; E388-Y390 PolarHBondContact O-N 3.19Å; Y390-K393 PolarHBondContact O-N 3.22Å; Y390-F394 HydrophobicContact CE1-CB 4.46Å; Y390-F394 WeakPolarHBondContact O-CB 3.43Å; Y390-F394 PolarHBondContact O-N 2.97Å
391L90.8Very high89Confident13 Ų1346.2 Ų46.27%0.06823%0.228CC..Hα-helixtrans-64.4-40.6-179.7-168.669000111.7L383 D387 E388 F394 T395 Y427 P432L383-L391 HydrophobicContact CD2-CD1 3.99Å; D387-L391 PolarHBondContact O-N 3.02Å; D387-L391 VanDerWaalsContact O-N 3.09Å; E388-L391 WeakPolarHBondContact O-CB 3.35Å; E388-L391 PolarHBondContact O-N 3Å; L391-F394 PolarHBondContact O-N 3.48Å; L391-T395 WeakPolarHBondContact O-CB 3.37Å; L391-T395 PolarHBondContact O-N 3.35Å; L391-T395 PolarHBondContact O-OG1 2.7Å; L391-Y427 HydrophobicContact CD1-CE2 3.84Å; L391-Y427 WeakPolarHBondContact CD1-OH 3.49Å; L391-P432 HydrophobicContact CD2-CG 3.66Å
392E91.8Very high89.4Confident101 Ų10144.3 Ų44.347%0.47221%0.214SC..Hα-helixtrans-57.9-53.9171.5-72178.3172.500111.1E388 F394 T395 D396E388-E392 WeakPolarHBondContact O-CG 3.48Å; E388-E392 PolarHBondContact O-N 2.96Å; E392-F394 VanDerWaalsContact C-N 3.26Å; E392-F394 PolarHBondContact O-N 3.41Å; E392-T395 PolarHBondContact O-N 3.12Å; E392-D396 PolarHBondContact O-N 3.36Å
393K92.1Very high89.7Confident67 Ų6745.9 Ų45.929%0.29123%0.229SC..Hα-helixtrans-61.9-33.4-179.9-66.6-62.9169.7-152.50113V333 M336 N340 S389 Y390 D396 F397V333-K393 HydrophobicContact CG1-CG 4.43Å; M336-K393 HydrophobicContact CB-CB 3.95Å; N340-K393 PolarHBondContact ND2-O 2.91Å; S389-K393 VanDerWaalsContact O-CG 3.25Å; S389-K393 WeakPolarHBondContact O-CG 3.31Å; S389-K393 PolarHBondContact O-N 3.11Å; S389-K393 VanDerWaalsContact O-N 3.1Å; Y390-K393 PolarHBondContact O-N 3.22Å; K393-D396 IonicContact NZ-OD2 3.26Å; K393-F397 WeakPolarHBondContact O-CB 3.46Å; K393-F397 PolarHBondContact O-N 2.93Å
394F92.5Very high89.6Confident0 Ų047 Ų470%024%0.237CC..Hα-helixtrans-71.7-35174.2-175.6-100000112.6M336 L366 L367 L370 Y390 L391 E392 F397 L398 Y427M336-F394 HydrophobicContact CE-CB 4.47Å; M336-F394 HydrophobicContact CE-CD2 4.05Å; M336-F394 HydrophobicContact SD-CD2 4.43Å; L366-F394 HydrophobicContact CB-CE2 3.67Å; L366-F394 HydrophobicContact CB-CZ 4.21Å; L366-F394 HydrophobicContact CD1-CE2 4.19Å; L367-F394 HydrophobicContact CB-CZ 4.08Å; L367-F394 HydrophobicContact CD1-CE1 3.77Å; L367-F394 HydrophobicContact CD1-CZ 3.96Å; L370-F394 HydrophobicContact CD1-CD1 3.5Å; L370-F394 HydrophobicContact CD1-CD2 4.3Å; L370-F394 HydrophobicContact CD1-CE1 3.3Å; L370-F394 HydrophobicContact CD1-CE2 4.14Å; L370-F394 HydrophobicContact CD1-CG 4.01Å; L370-F394 HydrophobicContact CD1-CZ 3.66Å; Y390-F394 HydrophobicContact CE1-CB 4.46Å; Y390-F394 WeakPolarHBondContact O-CB 3.43Å; Y390-F394 PolarHBondContact O-N 2.97Å; L391-F394 PolarHBondContact O-N 3.48Å; E392-F394 VanDerWaalsContact C-N 3.26Å; E392-F394 PolarHBondContact O-N 3.41Å; F394-F397 HydrophobicContact CD2-CD1 4.17Å; F394-F397 HydrophobicContact CE2-CD1 4.03Å; F394-F397 HydrophobicContact CE2-CE1 4.43Å; F394-F397 WeakPolarHBondContact O-CB 3.5Å; F394-F397 PolarHBondContact O-N 3.05Å; F394-L398 HydrophobicContact CD1-CD1 4.19Å; F394-L398 HydrophobicContact CD1-CG 4.49Å; F394-L398 HydrophobicContact CE1-CD1 3.69Å; F394-L398 HydrophobicContact CE1-CD2 4.42Å; F394-L398 HydrophobicContact CE1-CG 4.05Å; F394-L398 HydrophobicContact CZ-CD1 4.31Å; F394-L398 HydrophobicContact CZ-CD2 4.21Å; F394-L398 HydrophobicContact CZ-CG 4.27Å; F394-L398 WeakPolarHBondContact O-CG 3.39Å; F394-L398 PolarHBondContact O-N 3.25Å; F394-L398 VanDerWaalsContact O-N 3.1Å; F394-Y427 AromaticContact CD1-CE2 3.97Å; F394-Y427 HydrophobicContact CD1-CE2 3.97Å; F394-Y427 AromaticContact CD1-CZ 3.78Å; F394-Y427 HydrophobicContact CE1-CD2 4.47Å; F394-Y427 HydrophobicContact CE1-CE2 4.01Å
395T93.7Very high89.4Confident8 Ų842.1 Ų42.15%0.04921%0.214CC..Hα-helixtrans-69.6-41.9174.6-52.80000111.1L391 E392 F397 L398 R399 Y427 A439 I443L391-T395 WeakPolarHBondContact O-CB 3.37Å; L391-T395 PolarHBondContact O-N 3.35Å; L391-T395 PolarHBondContact O-OG1 2.7Å; E392-T395 PolarHBondContact O-N 3.12Å; T395-F397 VanDerWaalsContact C-N 3.28Å; T395-F397 PolarHBondContact O-N 2.95Å; T395-L398 PolarHBondContact O-N 2.84Å; T395-R399 PolarHBondContact O-N 2.97Å; T395-Y427 PolarHBondContact OG1-OH 2.88Å; T395-A439 HydrophobicContact CG2-CB 3.69Å; T395-I443 HydrophobicContact CG2-CD1 3.96Å
396D92.5Very high89.4Confident68 Ų6837.8 Ų37.836%0.36419%0.193SC..Hα-helixtrans-55.5-44.5170.7-74.6-19.9000111.4E392 K393 L398 R399 L400E392-D396 PolarHBondContact O-N 3.36Å; K393-D396 IonicContact NZ-OD2 3.26Å; D396-L398 PolarHBondContact O-N 3.12Å; D396-R399 WeakPolarHBondContact O-CB 3.39Å; D396-R399 PolarHBondContact O-N 2.65Å; D396-L400 WeakPolarHBondContact O-CB 3.41Å; D396-L400 WeakPolarHBondContact O-CG 3.46Å; D396-L400 PolarHBondContact O-N 3.47Å
397F91.7Very high89.3Confident0 Ų046 Ų460%022%0.223CC..Hα-helixtrans-57.4-48.8176.5170.9-121.6000112F276 M336 V339 N340 V343 M359 T363 K393 F394 T395 R399 L400 F401F276-F397 HydrophobicContact CE1-CE1 4.44Å; F276-F397 HydrophobicContact CE1-CE2 4.45Å; F276-F397 AromaticContact CE1-CZ 3.91Å; F276-F397 HydrophobicContact CE1-CZ 3.91Å; F276-F397 HydrophobicContact CZ-CE2 4.24Å; F276-F397 AromaticContact CZ-CZ 3.98Å; F276-F397 HydrophobicContact CZ-CZ 3.98Å; M336-F397 HydrophobicContact CE-CB 3.49Å; M336-F397 VanDerWaalsContact CE-CB 3.49Å; M336-F397 HydrophobicContact CE-CD1 3.95Å; M336-F397 HydrophobicContact CE-CD2 4.45Å; M336-F397 HydrophobicContact CE-CG 3.72Å; V339-F397 HydrophobicContact CG1-CD2 3.44Å; V339-F397 VanDerWaalsContact CG1-CD2 3.44Å; V339-F397 HydrophobicContact CG1-CE2 3.34Å; V339-F397 HydrophobicContact CG1-CG 4.26Å; V339-F397 HydrophobicContact CG1-CZ 4.07Å; N340-F397 WeakPolarHBondContact OD1-CA 3.34Å; N340-F397 WeakPolarHBondContact OD1-CB 3.28Å; N340-F397 PolarHBondContact OD1-N 3.42Å; V343-F397 HydrophobicContact CG2-CD2 3.89Å; V343-F397 HydrophobicContact CG2-CE2 3.62Å; M359-F397 HydrophobicContact CE-CE2 3.82Å; M359-F397 HydrophobicContact CE-CZ 4.24Å; T363-F397 HydrophobicContact CG2-CE1 3.71Å; T363-F397 HydrophobicContact CG2-CZ 4.13Å; T363-F397 WeakPolarHBondContact OG1-CE1 3.36Å; T363-F397 WeakPolarHBondContact OG1-CZ 3.44Å; K393-F397 WeakPolarHBondContact O-CB 3.46Å; K393-F397 PolarHBondContact O-N 2.93Å; F394-F397 HydrophobicContact CD2-CD1 4.17Å; F394-F397 HydrophobicContact CE2-CD1 4.03Å; F394-F397 HydrophobicContact CE2-CE1 4.43Å; F394-F397 WeakPolarHBondContact O-CB 3.5Å; F394-F397 PolarHBondContact O-N 3.05Å; T395-F397 VanDerWaalsContact C-N 3.28Å; T395-F397 PolarHBondContact O-N 2.95Å; F397-R399 VanDerWaalsContact C-N 3.32Å; F397-R399 PolarHBondContact O-N 3.46Å; F397-L400 PolarHBondContact O-N 2.83Å; F397-F401 VanDerWaalsContact O-CB 3.29Å; F397-F401 WeakPolarHBondContact O-CB 3.44Å; F397-F401 PolarHBondContact O-N 3.14Å
398L92.7Very high88.9Confident0 Ų047 Ų470%022%0.222CC..Hα-helixtrans-60.8-41.5177.2-68.2175.6000111.4T363 L367 F394 T395 D396 F401 V402 F420 L424 Y427 I443T363-L398 HydrophobicContact CG2-CD2 4Å; L367-L398 HydrophobicContact CD1-CD1 4.08Å; L367-L398 HydrophobicContact CD2-CD2 4.46Å; F394-L398 HydrophobicContact CD1-CD1 4.19Å; F394-L398 HydrophobicContact CD1-CG 4.49Å; F394-L398 HydrophobicContact CE1-CD1 3.69Å; F394-L398 HydrophobicContact CE1-CD2 4.42Å; F394-L398 HydrophobicContact CE1-CG 4.05Å; F394-L398 HydrophobicContact CZ-CD1 4.31Å; F394-L398 HydrophobicContact CZ-CD2 4.21Å; F394-L398 HydrophobicContact CZ-CG 4.27Å; F394-L398 WeakPolarHBondContact O-CG 3.39Å; F394-L398 PolarHBondContact O-N 3.25Å; F394-L398 VanDerWaalsContact O-N 3.1Å; T395-L398 PolarHBondContact O-N 2.84Å; D396-L398 PolarHBondContact O-N 3.12Å; L398-F401 PolarHBondContact O-N 2.68Å; L398-V402 WeakPolarHBondContact O-CB 3.42Å; L398-V402 VanDerWaalsContact O-CG2 3.31Å; L398-V402 WeakPolarHBondContact O-CG2 3.25Å; L398-V402 PolarHBondContact O-N 3.01Å; L398-F420 HydrophobicContact CD2-CE2 4.34Å; L398-L424 HydrophobicContact CD1-CD1 4.14Å; L398-Y427 HydrophobicContact CD1-CD1 3.87Å; L398-Y427 HydrophobicContact CD1-CE1 3.77Å; L398-I443 HydrophobicContact CB-CD1 3.72Å
399R93.1Very high88.5Confident112 Ų11241.3 Ų41.342%0.42320%0.196SC..Hα-helixtrans-62-47.4176.2-174.8-178.5178.8148.55.2112.2T395 D396 F397 F401 V402 S403 D442 I443T395-R399 PolarHBondContact O-N 2.97Å; D396-R399 WeakPolarHBondContact O-CB 3.39Å; D396-R399 PolarHBondContact O-N 2.65Å; F397-R399 VanDerWaalsContact C-N 3.32Å; F397-R399 PolarHBondContact O-N 3.46Å; R399-F401 VanDerWaalsContact C-N 3.35Å; R399-V402 PolarHBondContact O-N 2.95Å; R399-S403 WeakPolarHBondContact O-CB 3.39Å; R399-S403 PolarHBondContact O-N 3.45Å; R399-S403 PolarHBondContact O-OG 3.46Å; R399-D442 IonicContact CZ-OD2 3.3Å; R399-D442 IonicContact NH1-OD2 2.65Å; R399-D442 PolarHBondContact NH1-OD2 3.17Å; R399-I443 HydrophobicContact CB-CD1 4.21Å; R399-I443 HydrophobicContact CB-CG1 3.79Å; R399-I443 HydrophobicContact CG-CG1 4.3Å
400L90.1Very high88Confident45 Ų4538.7 Ų38.724%0.23618%0.177CC..Hα-helixtrans-63.9-41.6177.6-70173.6000111.2N340 V343 D396 F397 S403 V404N340-L400 HydrophobicContact CB-CD1 4.02Å; V343-L400 HydrophobicContact CB-CB 4.34Å; V343-L400 HydrophobicContact CG1-CB 3.7Å; D396-L400 WeakPolarHBondContact O-CB 3.41Å; D396-L400 WeakPolarHBondContact O-CG 3.46Å; D396-L400 PolarHBondContact O-N 3.47Å; F397-L400 PolarHBondContact O-N 2.83Å; L400-S403 WeakPolarHBondContact CA-OG 3.26Å; L400-S403 PolarHBondContact O-OG 2.93Å; L400-V404 VanDerWaalsContact O-CB 3.25Å; L400-V404 WeakPolarHBondContact O-CB 3.39Å; L400-V404 WeakPolarHBondContact O-CG2 3.32Å; L400-V404 PolarHBondContact O-N 2.92Å
401F87.8Confident87.2Confident2 Ų242.2 Ų42.21%0.00920%0.202CC..Iπ-helixtrans-62.1-48.3177.2178.5-100.4000112T363 F397 L398 R399 H405 L406 I409 F415 F420T363-F401 HydrophobicContact CG2-CD1 4.37Å; T363-F401 HydrophobicContact CG2-CE1 4.41Å; F397-F401 VanDerWaalsContact O-CB 3.29Å; F397-F401 WeakPolarHBondContact O-CB 3.44Å; F397-F401 PolarHBondContact O-N 3.14Å; L398-F401 PolarHBondContact O-N 2.68Å; R399-F401 VanDerWaalsContact C-N 3.35Å; F401-H405 HydrophobicContact CD2-CB 4.36Å; F401-H405 PolarHBondContact O-N 3.49Å; F401-L406 PolarHBondContact O-N 3.35Å; F401-I409 HydrophobicContact CE1-CD1 4.02Å; F401-I409 HydrophobicContact CE2-CD1 3.79Å; F401-I409 HydrophobicContact CZ-CD1 3.21Å; F401-F415 HydrophobicContact CZ-CE2 4.39Å; F401-F420 HydrophobicContact CD1-CE2 4.5Å; F401-F420 HydrophobicContact CD1-CZ 4.26Å; F401-F420 HydrophobicContact CE1-CE2 4.25Å; F401-F420 HydrophobicContact CE1-CZ 4.22Å
402V89.8Confident86.5Confident8 Ų843.7 Ų43.75%0.04821%0.213CC..Iπ-helixtrans-66.1-42.2179.8171.50000111.9L398 R399 L406 F420 I443 V446 F447L398-V402 WeakPolarHBondContact O-CB 3.42Å; L398-V402 VanDerWaalsContact O-CG2 3.31Å; L398-V402 WeakPolarHBondContact O-CG2 3.25Å; L398-V402 PolarHBondContact O-N 3.01Å; R399-V402 PolarHBondContact O-N 2.95Å; V402-L406 HydrophobicContact CG1-CD2 4.03Å; V402-L406 VanDerWaalsContact O-CB 3.3Å; V402-L406 WeakPolarHBondContact O-CB 3.37Å; V402-F420 HydrophobicContact CG2-CE1 4.25Å; V402-F420 HydrophobicContact CG2-CZ 4.14Å; V402-I443 HydrophobicContact CB-CG2 4.02Å; V402-I443 HydrophobicContact CG1-CG2 4.19Å; V402-I443 HydrophobicContact CG2-CG2 3.73Å; V402-V446 HydrophobicContact CG1-CB 4.4Å; V402-V446 HydrophobicContact CG1-CG1 4.06Å; V402-F447 HydrophobicContact CG1-CB 4.05Å
403S89Confident85.5Confident63 Ų6345.1 Ų45.144%0.44123%0.231SC..Iπ-helixtrans-73.6-40.5-178.355.10000113.9R399 L400R399-S403 WeakPolarHBondContact O-CB 3.39Å; R399-S403 PolarHBondContact O-N 3.45Å; R399-S403 PolarHBondContact O-OG 3.46Å; L400-S403 WeakPolarHBondContact CA-OG 3.26Å; L400-S403 PolarHBondContact O-OG 2.93Å
404V84.8Confident84.5Confident28 Ų2847.3 Ų47.317%0.1724%0.243CC..Iπ-helixtrans-99-42.8-168.9-175.10000112.6N346 L400N346-V404 WeakPolarHBondContact OD1-CG1 3.49Å; L400-V404 VanDerWaalsContact O-CB 3.25Å; L400-V404 WeakPolarHBondContact O-CB 3.39Å; L400-V404 WeakPolarHBondContact O-CG2 3.32Å; L400-V404 PolarHBondContact O-N 2.92Å
405H81.8Confident83.8Confident6 Ų647.5 Ų47.53%0.02824%0.244CC..Iπ-helixtrans-111.6-25.4-164.8-63.3-73.4000114.5V343 L356 F401 R407 R408V343-H405 VanDerWaalsContact CG1-CD2 3.47Å; V343-H405 WeakPolarHBondContact CG1-CD2 3.48Å; V343-H405 PolarHBondContact O-NE2 3.18Å; L356-H405 HydrophobicContact CD2-CB 4.34Å; F401-H405 HydrophobicContact CD2-CB 4.36Å; F401-H405 PolarHBondContact O-N 3.49Å; H405-R407 VanDerWaalsContact C-N 3.28Å; H405-R407 PolarHBondContact O-N 3.07Å; H405-R408 WeakPolarHBondContact O-CB 3.45Å; H405-R408 PolarHBondContact O-N 3.5Å
406L84.2Confident83.3Confident0 Ų048.4 Ų48.40%025%0.249CC..Hα-helixtrans-53.8-42.4-175.8-176.565.3000113.5F401 V402 R408 I409 E410 F415 I417 F447F401-L406 PolarHBondContact O-N 3.35Å; V402-L406 HydrophobicContact CG1-CD2 4.03Å; V402-L406 VanDerWaalsContact O-CB 3.3Å; V402-L406 WeakPolarHBondContact O-CB 3.37Å; L406-R408 PolarHBondContact O-N 3.04Å; L406-R408 VanDerWaalsContact O-N 3.08Å; L406-I409 HydrophobicContact CD1-CD1 4.45Å; L406-I409 HydrophobicContact CD1-CG1 4.39Å; L406-I409 WeakPolarHBondContact O-CG1 3.46Å; L406-I409 PolarHBondContact O-N 3.04Å; L406-I409 VanDerWaalsContact O-N 3.12Å; L406-E410 WeakPolarHBondContact O-CB 3.32Å; L406-E410 PolarHBondContact O-N 3.46Å; L406-F415 HydrophobicContact CD1-CE1 3.77Å; L406-F415 HydrophobicContact CD1-CZ 3.85Å; L406-I417 HydrophobicContact CD1-CD1 4.05Å; L406-F447 HydrophobicContact CD2-CD2 3.56Å; L406-F447 HydrophobicContact CD2-CE2 4.02Å
407R82.6Confident82.9Confident192 Ų19245.1 Ų45.173%0.72523%0.232SC*.Hα-helixtrans-55.9-28.1178.3178166.3-172.9-173.13.3113.1H405 F450H405-R407 VanDerWaalsContact C-N 3.28Å; H405-R407 PolarHBondContact O-N 3.07Å; R407-F450 HydrophobicContact CB-CD2 4.21Å; R407-F450 HydrophobicContact CB-CE2 3.67Å; R407-F450 HydrophobicContact CB-CZ 4.42Å; R407-F450 HydrophobicContact CG-CD2 4.47Å; R407-F450 HydrophobicContact CG-CE2 3.75Å
408R79.4Confident82.6Confident83 Ų8348.8 Ų48.831%0.31325%0.254SS..Hα-helixtrans-84.6-27.1-176.2-47.6-171.1-168.9-180-6.7112.4N346 C347 F352 L356 H405 L406N346-R408 PolarHBondContact OD1-NH2 3Å; C347-R408 PolarHBondContact O-NH1 3.2Å; F352-R408 HydrophobicContact CZ-CB 4.45Å; L356-R408 HydrophobicContact CD1-CB 4.23Å; H405-R408 WeakPolarHBondContact O-CB 3.45Å; H405-R408 PolarHBondContact O-N 3.5Å; L406-R408 PolarHBondContact O-N 3.04Å; L406-R408 VanDerWaalsContact O-N 3.08Å
409I77.8Confident82.3Confident13 Ų1352.1 Ų52.17%0.06727%0.27CS..Hα-helixtrans-108.9-20.6-172.659.9169.1000114.5L356 F401 L406 S411 S412 F415L356-I409 HydrophobicContact CB-CG2 3.9Å; L356-I409 HydrophobicContact CD1-CG2 3.77Å; L356-I409 HydrophobicContact CD2-CG2 4.13Å; L356-I409 HydrophobicContact CG-CG2 4.18Å; F401-I409 HydrophobicContact CE1-CD1 4.02Å; F401-I409 HydrophobicContact CE2-CD1 3.79Å; F401-I409 HydrophobicContact CZ-CD1 3.21Å; L406-I409 HydrophobicContact CD1-CD1 4.45Å; L406-I409 HydrophobicContact CD1-CG1 4.39Å; L406-I409 WeakPolarHBondContact O-CG1 3.46Å; L406-I409 PolarHBondContact O-N 3.04Å; L406-I409 VanDerWaalsContact O-N 3.12Å; I409-S411 PolarHBondContact O-N 2.94Å; I409-S411 VanDerWaalsContact O-N 3.07Å; I409-S412 VanDerWaalsContact O-CB 3.23Å; I409-S412 WeakPolarHBondContact O-CB 3.42Å; I409-S412 PolarHBondContact O-N 2.82Å; I409-F415 HydrophobicContact CD1-CD1 4.46Å; I409-F415 HydrophobicContact CD1-CD2 3.98Å; I409-F415 HydrophobicContact CD1-CE1 4.26Å; I409-F415 HydrophobicContact CD1-CE2 3.83Å; I409-F415 HydrophobicContact CD1-CG 4.31Å; I409-F415 HydrophobicContact CD1-CZ 3.98Å; I409-F415 HydrophobicContact CG1-CD1 4.44Å; I409-F415 HydrophobicContact CG1-CE1 4.43Å
410E79.3Confident82.1Confident2 Ų246.9 Ų46.91%0.00925%0.25CC..THydrogen-bonded Turntrans-58.6-28.9-172.2174.5-82.8173.500113.8L406 F450 K454 R468 Y469L406-E410 WeakPolarHBondContact O-CB 3.32Å; L406-E410 PolarHBondContact O-N 3.46Å; E410-F450 HydrophobicContact CG-CE1 4.49Å; E410-K454 IonicContact OE1-NZ 3.67Å; E410-K454 PolarHBondContact OE1-NZ 3.18Å; E410-K454 IonicContact OE2-NZ 3Å; E410-K454 PolarHBondContact OE2-NZ 3.37Å; E410-R468 PolarHBondContact O-NH1 2.88Å; E410-R468 IonicContact OE1-NH1 3.67Å; E410-R468 PolarHBondContact OE1-NH1 3.29Å; E410-Y469 VanDerWaalsContact CD-OH 3.28Å; E410-Y469 VanDerWaalsContact CG-OH 3.22Å; E410-Y469 WeakPolarHBondContact CG-OH 3.29Å; E410-Y469 PolarHBondContact OE1-OH 2.9Å
411S74.1Confident82.1Confident76 Ų7644.9 Ų44.953%0.53124%0.239SC..THydrogen-bonded Turntrans-87.3-5178.8-60.50000113.4I409I409-S411 PolarHBondContact O-N 2.94Å; I409-S411 VanDerWaalsContact O-N 3.07Å
412S76.1Confident82.2Confident44 Ų4446.3 Ų46.331%0.30826%0.255SS..  trans-74.7133.8177.1-179.90000110.9I409 Q414 F415I409-S412 VanDerWaalsContact O-CB 3.23Å; I409-S412 WeakPolarHBondContact O-CB 3.42Å; I409-S412 PolarHBondContact O-N 2.82Å; S412-Q414 PolarHBondContact O-N 2.96Å; S412-Q414 PolarHBondContact OG-N 2.97Å; S412-F415 PolarHBondContact O-N 3.25Å
413P70.6Confident82.2Confident131 Ų13146.9 Ų46.985%0.85126%0.258SS*.THydrogen-bonded Turntrans-66.7-18.6177.827.9-34.9000113.1F415P413-F415 VanDerWaalsContact C-N 3.27Å; P413-F415 PolarHBondContact O-N 2.82Å
414Q70.8Confident82.3Confident112 Ų11243.9 Ų43.952%0.52324%0.237SC..THydrogen-bonded Turntrans-82.4-5.2179.3-62.7175.9-3.700112.9L357 F360 S412 P416L357-Q414 HydrophobicContact CD1-CB 3.93Å; L357-Q414 VanDerWaalsContact CD1-OE1 3.24Å; L357-Q414 VanDerWaalsContact CD2-OE1 3.31Å; F360-Q414 WeakPolarHBondContact CE1-O 3.42Å; S412-Q414 PolarHBondContact O-N 2.96Å; S412-Q414 PolarHBondContact OG-N 2.97Å; Q414-P416 VanDerWaalsContact O-CD 3.26Å; Q414-P416 WeakPolarHBondContact O-CD 3.38Å
415F78.6Confident82.8Confident5 Ų544.1 Ų44.12%0.02224%0.235CC..  trans-10799.4-178.6-179-112.8000111.5F360 F401 L406 I409 S412 P413 I417 F420F360-F415 AromaticContact CD1-CD2 3.89Å; F360-F415 HydrophobicContact CD1-CD2 3.89Å; F360-F415 AromaticContact CD2-CD2 3.19Å; F360-F415 HydrophobicContact CD2-CD2 3.19Å; F360-F415 AromaticContact CD2-CE2 3.18Å; F360-F415 HydrophobicContact CD2-CE2 3.18Å; F360-F415 AromaticContact CE1-CD2 3.87Å; F360-F415 HydrophobicContact CE1-CD2 3.87Å; F360-F415 AromaticContact CE2-CD2 3.19Å; F360-F415 HydrophobicContact CE2-CD2 3.19Å; F360-F415 AromaticContact CE2-CE2 3.24Å; F360-F415 HydrophobicContact CE2-CE2 3.24Å; F360-F415 HydrophobicContact CE2-CG 4.47Å; F360-F415 AromaticContact CG-CD2 3.57Å; F360-F415 HydrophobicContact CG-CD2 3.57Å; F360-F415 AromaticContact CG-CE2 3.98Å; F360-F415 HydrophobicContact CG-CE2 3.98Å; F360-F415 AromaticContact CZ-CD2 3.58Å; F360-F415 HydrophobicContact CZ-CD2 3.58Å; F360-F415 HydrophobicContact CZ-CE2 4.08Å; F401-F415 HydrophobicContact CZ-CE2 4.39Å; L406-F415 HydrophobicContact CD1-CE1 3.77Å; L406-F415 HydrophobicContact CD1-CZ 3.85Å; I409-F415 HydrophobicContact CD1-CD1 4.46Å; I409-F415 HydrophobicContact CD1-CD2 3.98Å; I409-F415 HydrophobicContact CD1-CE1 4.26Å; I409-F415 HydrophobicContact CD1-CE2 3.83Å; I409-F415 HydrophobicContact CD1-CG 4.31Å; I409-F415 HydrophobicContact CD1-CZ 3.98Å; I409-F415 HydrophobicContact CG1-CD1 4.44Å; I409-F415 HydrophobicContact CG1-CE1 4.43Å; S412-F415 PolarHBondContact O-N 3.25Å; P413-F415 VanDerWaalsContact C-N 3.27Å; P413-F415 PolarHBondContact O-N 2.82Å; F415-I417 HydrophobicContact CD1-CB 3.85Å; F415-I417 HydrophobicContact CE1-CB 3.58Å; F415-I417 HydrophobicContact CE1-CD1 3.45Å; F415-I417 VanDerWaalsContact CE1-CD1 3.45Å; F415-I417 HydrophobicContact CE1-CG1 3.98Å; F415-I417 HydrophobicContact CZ-CB 4.45Å; F415-I417 HydrophobicContact CZ-CD1 3.87Å; F415-I417 PolarHBondContact O-N 3.25Å; F415-F420 HydrophobicContact CE2-CB 4.45Å; F415-F420 HydrophobicContact CZ-CB 4.21Å; F415-F420 HydrophobicContact CZ-CD1 4.34Å; F415-F420 HydrophobicContact CZ-CG 4.19Å
416P82.6Confident83.2Confident26 Ų2647.8 Ų47.817%0.16925%0.251CS..  trans-72.175.4173.831-38.7000111.5F360 F364 Q414 V418 E419 F420F360-P416 HydrophobicContact CZ-CG 3.99Å; F364-P416 HydrophobicContact CE2-CG 4.4Å; Q414-P416 VanDerWaalsContact O-CD 3.26Å; Q414-P416 WeakPolarHBondContact O-CD 3.38Å; P416-V418 PolarHBondContact O-N 2.97Å; P416-E419 HydrophobicContact CB-CB 4.13Å; P416-E419 HydrophobicContact CB-CG 4.08Å; P416-E419 PolarHBondContact O-N 3.47Å; P416-E419 VanDerWaalsContact O-N 3.12Å; P416-F420 PolarHBondContact O-N 3.48Å
417I84.8Confident83.6Confident0 Ų047.8 Ų47.80%025%0.251CS..Hα-helixtrans-54.1-38.7-179.6-17961.2000112.9L406 F415 E419 F420 L421 F447 Y469L406-I417 HydrophobicContact CD1-CD1 4.05Å; F415-I417 HydrophobicContact CD1-CB 3.85Å; F415-I417 HydrophobicContact CE1-CB 3.58Å; F415-I417 HydrophobicContact CE1-CD1 3.45Å; F415-I417 VanDerWaalsContact CE1-CD1 3.45Å; F415-I417 HydrophobicContact CE1-CG1 3.98Å; F415-I417 HydrophobicContact CZ-CB 4.45Å; F415-I417 HydrophobicContact CZ-CD1 3.87Å; F415-I417 PolarHBondContact O-N 3.25Å; I417-E419 VanDerWaalsContact C-N 3.33Å; I417-E419 PolarHBondContact O-N 3.42Å; I417-F420 HydrophobicContact CD1-CD1 3.99Å; I417-F420 WeakPolarHBondContact O-CB 3.47Å; I417-F420 PolarHBondContact O-N 2.76Å; I417-L421 HydrophobicContact CD1-CD1 4.42Å; I417-L421 HydrophobicContact CD1-CD2 4.33Å; I417-L421 HydrophobicContact CD1-CG 4.07Å; I417-L421 HydrophobicContact CG1-CD1 4.2Å; I417-L421 HydrophobicContact CG1-CG 4.27Å; I417-L421 VanDerWaalsContact O-CG 3.31Å; I417-L421 WeakPolarHBondContact O-CG 3.18Å; I417-L421 PolarHBondContact O-N 3.02Å; I417-F447 HydrophobicContact CD1-CE2 4.39Å; I417-Y469 HydrophobicContact CG1-CE1 3.64Å; I417-Y469 HydrophobicContact CG2-CE1 4Å
418V85.4Confident84.2Confident77 Ų7738.7 Ų38.747%0.46722%0.217SC..Hα-helixtrans-64-40.8-178.6-179.90000110.9P416 L421 G422P416-V418 PolarHBondContact O-N 2.97Å; V418-L421 PolarHBondContact O-N 3.26Å; V418-G422 PolarHBondContact O-N 2.87Å
419E85.9Confident84.8Confident70 Ų7035.6 Ų35.633%0.32721%0.206SC..Hα-helixtrans-69.3-40.2176.1-62.6178.5-166.300111.4L222 F364 P416 I417 L421 G422 L423L222-E419 WeakPolarHBondContact CD1-OE2 3.27Å; F364-E419 HydrophobicContact CE2-CB 3.78Å; F364-E419 HydrophobicContact CZ-CB 3.91Å; F364-E419 WeakPolarHBondContact CZ-OE2 3.48Å; P416-E419 HydrophobicContact CB-CB 4.13Å; P416-E419 HydrophobicContact CB-CG 4.08Å; P416-E419 PolarHBondContact O-N 3.47Å; P416-E419 VanDerWaalsContact O-N 3.12Å; I417-E419 VanDerWaalsContact C-N 3.33Å; I417-E419 PolarHBondContact O-N 3.42Å; E419-L421 VanDerWaalsContact C-N 3.33Å; E419-L421 PolarHBondContact O-N 2.95Å; E419-G422 PolarHBondContact O-N 3.45Å; E419-G422 VanDerWaalsContact O-N 3.14Å; E419-L423 WeakPolarHBondContact O-CG 3.47Å; E419-L423 PolarHBondContact O-N 3.1Å
420F88.1Confident85.5Confident1 Ų136 Ų360%0.00421%0.209CC..Hα-helixtrans-57.6-46.7174170.7-97.2000111.3T363 F364 L367 L398 F401 V402 F415 P416 I417 G422 L423 L424T363-F420 HydrophobicContact CG2-CE2 4.14Å; F364-F420 HydrophobicContact CD2-CB 4.43Å; L367-F420 HydrophobicContact CD2-CD2 4.18Å; L367-F420 HydrophobicContact CD2-CE2 4.04Å; L398-F420 HydrophobicContact CD2-CE2 4.34Å; F401-F420 HydrophobicContact CD1-CE2 4.5Å; F401-F420 HydrophobicContact CD1-CZ 4.26Å; F401-F420 HydrophobicContact CE1-CE2 4.25Å; F401-F420 HydrophobicContact CE1-CZ 4.22Å; V402-F420 HydrophobicContact CG2-CE1 4.25Å; V402-F420 HydrophobicContact CG2-CZ 4.14Å; F415-F420 HydrophobicContact CE2-CB 4.45Å; F415-F420 HydrophobicContact CZ-CB 4.21Å; F415-F420 HydrophobicContact CZ-CD1 4.34Å; F415-F420 HydrophobicContact CZ-CG 4.19Å; P416-F420 PolarHBondContact O-N 3.48Å; I417-F420 HydrophobicContact CD1-CD1 3.99Å; I417-F420 WeakPolarHBondContact O-CB 3.47Å; I417-F420 PolarHBondContact O-N 2.76Å; F420-G422 VanDerWaalsContact C-N 3.3Å; F420-G422 PolarHBondContact O-N 3.37Å; F420-L423 PolarHBondContact O-N 3.29Å; F420-L424 HydrophobicContact CE1-CD2 4.34Å; F420-L424 WeakPolarHBondContact O-CB 3.32Å; F420-L424 PolarHBondContact O-N 3.24Å
421L90.4Very high86Confident3 Ų336.4 Ų36.42%0.01621%0.21CC..Hα-helixtrans-62.8-37.3175.8-66.7177.8000111.8I417 V418 E419 L424 F425 W444 F447 Y469 A472I417-L421 HydrophobicContact CD1-CD1 4.42Å; I417-L421 HydrophobicContact CD1-CD2 4.33Å; I417-L421 HydrophobicContact CD1-CG 4.07Å; I417-L421 HydrophobicContact CG1-CD1 4.2Å; I417-L421 HydrophobicContact CG1-CG 4.27Å; I417-L421 VanDerWaalsContact O-CG 3.31Å; I417-L421 WeakPolarHBondContact O-CG 3.18Å; I417-L421 PolarHBondContact O-N 3.02Å; V418-L421 PolarHBondContact O-N 3.26Å; E419-L421 VanDerWaalsContact C-N 3.33Å; E419-L421 PolarHBondContact O-N 2.95Å; L421-L424 PolarHBondContact O-N 3.03Å; L421-F425 VanDerWaalsContact O-CB 3.24Å; L421-F425 WeakPolarHBondContact O-CB 3.25Å; L421-F425 PolarHBondContact O-N 2.61Å; L421-W444 HydrophobicContact CB-CH2 4.17Å; L421-W444 HydrophobicContact CD2-CH2 3.91Å; L421-W444 HydrophobicContact CD2-CZ3 3.77Å; L421-F447 HydrophobicContact CD1-CE1 4.08Å; L421-F447 HydrophobicContact CD1-CZ 3.76Å; L421-F447 HydrophobicContact CD2-CD1 4.33Å; L421-F447 HydrophobicContact CD2-CD2 4.43Å; L421-F447 HydrophobicContact CD2-CE1 4.07Å; L421-F447 HydrophobicContact CD2-CE2 4.17Å; L421-F447 HydrophobicContact CD2-CZ 3.99Å; L421-F447 HydrophobicContact CG-CZ 4.48Å; L421-Y469 HydrophobicContact CD1-CD1 3.75Å; L421-Y469 HydrophobicContact CD1-CE1 4Å; L421-A472 HydrophobicContact CD1-CB 4.31Å
422G90.1Very high86.6Confident33 Ų3334.5 Ų34.534%0.3420%0.196SC..Hα-helixtrans-64.1-38.1174.200000113.4V418 E419 F420 K426V418-G422 PolarHBondContact O-N 2.87Å; E419-G422 PolarHBondContact O-N 3.45Å; E419-G422 VanDerWaalsContact O-N 3.14Å; F420-G422 VanDerWaalsContact C-N 3.3Å; F420-G422 PolarHBondContact O-N 3.37Å; G422-K426 WeakPolarHBondContact O-CG 3.43Å; G422-K426 PolarHBondContact O-N 3.24Å; G422-K426 VanDerWaalsContact O-N 3.15Å
423L89.4Confident87.2Confident19 Ų1935.3 Ų35.310%0.09920%0.199CC..Hα-helixtrans-72.2-40.8174.2-65.1178000111.9F364 L367 Q368 T371 E419 F420 F425 K426 Y427F364-L423 HydrophobicContact CD1-CD1 4.32Å; F364-L423 HydrophobicContact CD2-CD1 3.83Å; F364-L423 HydrophobicContact CE1-CD1 4.05Å; F364-L423 HydrophobicContact CE2-CD1 3.53Å; F364-L423 HydrophobicContact CE2-CG 4.49Å; F364-L423 HydrophobicContact CG-CD1 4.23Å; F364-L423 HydrophobicContact CZ-CD1 3.65Å; L367-L423 HydrophobicContact CD2-CB 3.55Å; L367-L423 HydrophobicContact CG-CB 3.8Å; Q368-L423 HydrophobicContact CB-CD1 3.92Å; Q368-L423 HydrophobicContact CB-CD2 4.42Å; Q368-L423 HydrophobicContact CG-CD2 4.45Å; T371-L423 WeakPolarHBondContact OG1-CD2 3.38Å; E419-L423 WeakPolarHBondContact O-CG 3.47Å; E419-L423 PolarHBondContact O-N 3.1Å; F420-L423 PolarHBondContact O-N 3.29Å; L423-F425 VanDerWaalsContact C-N 3.31Å; L423-F425 PolarHBondContact O-N 3.31Å; L423-K426 PolarHBondContact O-N 3.12Å; L423-Y427 WeakPolarHBondContact O-CB 3.45Å; L423-Y427 PolarHBondContact O-N 3.45Å
424L92.6Very high88Confident1 Ų131 Ų311%0.00517%0.168CC..Hα-helixtrans-60.8-43.8174.9-179.263.3000110.3L398 F420 L421 K426 Y427 T428 I443 W444L398-L424 HydrophobicContact CD1-CD1 4.14Å; F420-L424 HydrophobicContact CE1-CD2 4.34Å; F420-L424 WeakPolarHBondContact O-CB 3.32Å; F420-L424 PolarHBondContact O-N 3.24Å; L421-L424 PolarHBondContact O-N 3.03Å; L424-K426 PolarHBondContact O-N 3.46Å; L424-Y427 WeakPolarHBondContact O-CB 3.49Å; L424-Y427 PolarHBondContact O-N 3.01Å; L424-Y427 VanDerWaalsContact O-N 3.11Å; L424-T428 WeakPolarHBondContact O-CB 3.19Å; L424-T428 PolarHBondContact O-N 3.28Å; L424-T428 PolarHBondContact O-OG1 3.3Å; L424-I443 HydrophobicContact CD1-CG2 4.44Å; L424-I443 HydrophobicContact CD2-CG2 4.1Å; L424-W444 HydrophobicContact CB-CZ2 4.1Å; L424-W444 HydrophobicContact CD2-CD2 4.18Å; L424-W444 HydrophobicContact CD2-CH2 4.2Å; L424-W444 HydrophobicContact CD2-CZ2 3.79Å; L424-W444 HydrophobicContact CG-CZ2 3.76Å
425F93.6Very high88.9Confident32 Ų3231.9 Ų31.914%0.1417%0.172CC..Hα-helixtrans-56-51.3174.5176.5-82.5000111.1L421 L423 Y427 T428 F429 W444 L475 L476 E479L421-F425 VanDerWaalsContact O-CB 3.24Å; L421-F425 WeakPolarHBondContact O-CB 3.25Å; L421-F425 PolarHBondContact O-N 2.61Å; L423-F425 VanDerWaalsContact C-N 3.31Å; L423-F425 PolarHBondContact O-N 3.31Å; F425-Y427 VanDerWaalsContact C-N 3.26Å; F425-Y427 PolarHBondContact O-N 3.5Å; F425-T428 PolarHBondContact O-N 2.79Å; F425-F429 HydrophobicContact CD1-CD2 4.08Å; F425-F429 AromaticContact CD2-CD2 3.72Å; F425-F429 HydrophobicContact CD2-CD2 3.72Å; F425-F429 AromaticContact CD2-CE2 3.4Å; F425-F429 HydrophobicContact CD2-CE2 3.4Å; F425-F429 VanDerWaalsContact CD2-CE2 3.4Å; F425-F429 AromaticContact CE1-CD2 3.96Å; F425-F429 HydrophobicContact CE1-CD2 3.96Å; F425-F429 HydrophobicContact CE1-CE2 4.5Å; F425-F429 AromaticContact CE2-CD2 3.59Å; F425-F429 HydrophobicContact CE2-CD2 3.59Å; F425-F429 AromaticContact CE2-CE2 3.29Å; F425-F429 HydrophobicContact CE2-CE2 3.29Å; F425-F429 HydrophobicContact CE2-CZ 4.28Å; F425-F429 AromaticContact CG-CD2 3.95Å; F425-F429 HydrophobicContact CG-CD2 3.95Å; F425-F429 HydrophobicContact CG-CE2 4.07Å; F425-F429 AromaticContact CZ-CD2 3.72Å; F425-F429 HydrophobicContact CZ-CD2 3.72Å; F425-F429 AromaticContact CZ-CE2 3.89Å; F425-F429 HydrophobicContact CZ-CE2 3.89Å; F425-F429 VanDerWaalsContact O-CD2 3.24Å; F425-F429 WeakPolarHBondContact O-CD2 3.34Å; F425-F429 PolarHBondContact O-N 3.49Å; F425-F429 VanDerWaalsContact O-N 3.13Å; F425-W444 HydrophobicContact CB-CZ2 4.12Å; F425-L475 HydrophobicContact CD1-CD2 4.17Å; F425-L475 HydrophobicContact CD2-CD2 4.07Å; F425-L475 HydrophobicContact CD2-CG 4.36Å; F425-L475 HydrophobicContact CE1-CD2 3.96Å; F425-L475 HydrophobicContact CE1-CG 4.42Å; F425-L475 HydrophobicContact CE2-CB 4.47Å; F425-L475 HydrophobicContact CE2-CD2 3.85Å; F425-L475 HydrophobicContact CE2-CG 3.73Å; F425-L475 HydrophobicContact CG-CD2 4.24Å; F425-L475 HydrophobicContact CZ-CD2 3.8Å; F425-L475 HydrophobicContact CZ-CG 3.77Å; F425-L476 HydrophobicContact CD2-CD1 4.46Å; F425-E479 HydrophobicContact CE2-CB 3.67Å; F425-E479 HydrophobicContact CE2-CG 4.16Å; F425-E479 HydrophobicContact CZ-CB 3.56Å; F425-E479 HydrophobicContact CZ-CG 3.68Å
426K91.4Very high89.4Confident83 Ų8332.1 Ų32.136%0.36118%0.176SC..Hα-helixtrans-59.5-37.5176.2-73.8179.4179.6-175.30112.3T371 G422 L423 L424 N430T371-K426 HydrophobicContact CG2-CB 4.04Å; G422-K426 WeakPolarHBondContact O-CG 3.43Å; G422-K426 PolarHBondContact O-N 3.24Å; G422-K426 VanDerWaalsContact O-N 3.15Å; L423-K426 PolarHBondContact O-N 3.12Å; L424-K426 PolarHBondContact O-N 3.46Å; K426-N430 WeakPolarHBondContact O-CB 3.37Å; K426-N430 PolarHBondContact O-N 3.33Å; K426-N430 PolarHBondContact O-ND2 3Å
427Y93.1Very high90Very high0 Ų031 Ų310%017%0.169CC..Hα-helixtrans-69.1-43.6178.3-179.5-103.8000112L367 L370 T371 L383 L391 F394 T395 L398 L423 L424 F425 Q431L367-Y427 HydrophobicContact CD1-CD1 4.4Å; L367-Y427 HydrophobicContact CD1-CD2 4.05Å; L367-Y427 HydrophobicContact CD1-CG 3.82Å; L370-Y427 HydrophobicContact CD1-CE2 4.28Å; T371-Y427 HydrophobicContact CG2-CD2 4.49Å; L383-Y427 HydrophobicContact CD1-CD2 4.39Å; L383-Y427 HydrophobicContact CD2-CD2 4.35Å; L383-Y427 HydrophobicContact CD2-CE2 4.09Å; L391-Y427 HydrophobicContact CD1-CE2 3.84Å; L391-Y427 WeakPolarHBondContact CD1-OH 3.49Å; F394-Y427 AromaticContact CD1-CE2 3.97Å; F394-Y427 HydrophobicContact CD1-CE2 3.97Å; F394-Y427 AromaticContact CD1-CZ 3.78Å; F394-Y427 HydrophobicContact CE1-CD2 4.47Å; F394-Y427 HydrophobicContact CE1-CE2 4.01Å; T395-Y427 PolarHBondContact OG1-OH 2.88Å; L398-Y427 HydrophobicContact CD1-CD1 3.87Å; L398-Y427 HydrophobicContact CD1-CE1 3.77Å; L423-Y427 WeakPolarHBondContact O-CB 3.45Å; L423-Y427 PolarHBondContact O-N 3.45Å; L424-Y427 WeakPolarHBondContact O-CB 3.49Å; L424-Y427 PolarHBondContact O-N 3.01Å; L424-Y427 VanDerWaalsContact O-N 3.11Å; F425-Y427 VanDerWaalsContact C-N 3.26Å; F425-Y427 PolarHBondContact O-N 3.5Å; Y427-Q431 WeakPolarHBondContact O-CG 3.44Å; Y427-Q431 PolarHBondContact O-N 2.89Å; Y427-Q431 PolarHBondContact O-NE2 3.18Å; Y427-Q431 PolarHBondContact OH-NE2 3.47Å
428T94.5Very high90.4Very high1 Ų131.6 Ų31.61%0.00617%0.171CC..Hα-helixtrans-61-51.6179.6-59.10000112.1L424 F425 N430 Q431 Y437 C440 W444L424-T428 WeakPolarHBondContact O-CB 3.19Å; L424-T428 PolarHBondContact O-N 3.28Å; L424-T428 PolarHBondContact O-OG1 3.3Å; F425-T428 PolarHBondContact O-N 2.79Å; T428-N430 VanDerWaalsContact C-N 3.29Å; T428-N430 PolarHBondContact O-N 3.45Å; T428-Q431 WeakPolarHBondContact O-CG 3.41Å; T428-Q431 PolarHBondContact O-N 3.49Å; T428-Y437 HydrophobicContact CG2-CD2 3.96Å; T428-Y437 HydrophobicContact CG2-CE2 4.08Å; T428-C440 HydrophobicContact CG2-CB 3.62Å; T428-C440 WeakPolarHBondContact OG1-CB 3.5Å; T428-W444 PolarHBondContact OG1-NE1 3.31Å
429F92.1Very high90.8Very high19 Ų1929.5 Ų29.58%0.08316%0.161CC..Hα-helixtrans-83.1-4.2-172.3-65.5-69.4000114.4F425 Y437 L476 E479 I480 R483F425-F429 HydrophobicContact CD1-CD2 4.08Å; F425-F429 AromaticContact CD2-CD2 3.72Å; F425-F429 HydrophobicContact CD2-CD2 3.72Å; F425-F429 AromaticContact CD2-CE2 3.4Å; F425-F429 HydrophobicContact CD2-CE2 3.4Å; F425-F429 VanDerWaalsContact CD2-CE2 3.4Å; F425-F429 AromaticContact CE1-CD2 3.96Å; F425-F429 HydrophobicContact CE1-CD2 3.96Å; F425-F429 HydrophobicContact CE1-CE2 4.5Å; F425-F429 AromaticContact CE2-CD2 3.59Å; F425-F429 HydrophobicContact CE2-CD2 3.59Å; F425-F429 AromaticContact CE2-CE2 3.29Å; F425-F429 HydrophobicContact CE2-CE2 3.29Å; F425-F429 HydrophobicContact CE2-CZ 4.28Å; F425-F429 AromaticContact CG-CD2 3.95Å; F425-F429 HydrophobicContact CG-CD2 3.95Å; F425-F429 HydrophobicContact CG-CE2 4.07Å; F425-F429 AromaticContact CZ-CD2 3.72Å; F425-F429 HydrophobicContact CZ-CD2 3.72Å; F425-F429 AromaticContact CZ-CE2 3.89Å; F425-F429 HydrophobicContact CZ-CE2 3.89Å; F425-F429 VanDerWaalsContact O-CD2 3.24Å; F425-F429 WeakPolarHBondContact O-CD2 3.34Å; F425-F429 PolarHBondContact O-N 3.49Å; F425-F429 VanDerWaalsContact O-N 3.13Å; F429-Y437 HydrophobicContact CD1-CE2 4.19Å; F429-Y437 AromaticContact CE1-CE2 3.94Å; F429-Y437 HydrophobicContact CE1-CE2 3.94Å; F429-L476 HydrophobicContact CE2-CD1 3.89Å; F429-L476 HydrophobicContact CZ-CD1 3.88Å; F429-E479 HydrophobicContact CB-CG 4.37Å; F429-E479 HydrophobicContact CD1-CB 4.47Å; F429-E479 HydrophobicContact CD1-CG 3.62Å; F429-E479 HydrophobicContact CD2-CB 4.31Å; F429-E479 HydrophobicContact CD2-CG 3.76Å; F429-E479 HydrophobicContact CE1-CB 4.12Å; F429-E479 HydrophobicContact CE1-CG 3.75Å; F429-E479 HydrophobicContact CE2-CB 3.99Å; F429-E479 HydrophobicContact CE2-CG 3.92Å; F429-E479 HydrophobicContact CG-CG 3.62Å; F429-E479 HydrophobicContact CZ-CB 3.89Å; F429-E479 HydrophobicContact CZ-CG 3.92Å; F429-I480 HydrophobicContact CE1-CG1 4.03Å; F429-I480 HydrophobicContact CZ-CG1 3.75Å; F429-R483 HydrophobicContact CD1-CG 3.74Å; F429-R483 HydrophobicContact CE1-CG 3.89Å
430N91.4Very high91.3Very high22 Ų2226.1 Ų26.112%0.11815%0.146CC..THydrogen-bonded Turntrans-108.59.5172.5-66.4-59.8000113.2A376 V379 K380 L383 K426 T428A376-N430 PolarHBondContact O-OD1 3.48Å; V379-N430 HydrophobicContact CB-CB 4.27Å; V379-N430 HydrophobicContact CG1-CB 3.7Å; K380-N430 HydrophobicContact CB-CB 4.47Å; L383-N430 HydrophobicContact CD1-CB 4.09Å; L383-N430 WeakPolarHBondContact CD1-O 3.23Å; K426-N430 WeakPolarHBondContact O-CB 3.37Å; K426-N430 PolarHBondContact O-N 3.33Å; K426-N430 PolarHBondContact O-ND2 3Å; T428-N430 VanDerWaalsContact C-N 3.29Å; T428-N430 PolarHBondContact O-N 3.45Å
431Q91Very high91.7Very high10 Ų1026.1 Ų26.15%0.04715%0.146CC..  trans-54.9139.1176-75.2-59.8-51.500111.4Y427 T428Y427-Q431 WeakPolarHBondContact O-CG 3.44Å; Y427-Q431 PolarHBondContact O-N 2.89Å; Y427-Q431 PolarHBondContact O-NE2 3.18Å; Y427-Q431 PolarHBondContact OH-NE2 3.47Å; T428-Q431 WeakPolarHBondContact O-CG 3.41Å; T428-Q431 PolarHBondContact O-N 3.49Å
432P86.4Confident91.9Very high36 Ų3628.4 Ų28.423%0.23416%0.158CC..SBendtrans-75.6-29.4-177.430.7-34.6000112.8Q384 L391Q384-P432 HydrophobicContact CB-CB 4.49Å; Q384-P432 HydrophobicContact CG-CB 3.49Å; Q384-P432 VanDerWaalsContact CG-CB 3.49Å; L391-P432 HydrophobicContact CD2-CG 3.66Å
433T88.3Confident92.2Very high61 Ų6126.8 Ų26.837%0.37414%0.142SC..SBendtrans-120.6156-174.960.90000111.6G436 Y437T433-G436 PolarHBondContact O-N 3.27Å; T433-G436 PolarHBondContact OG1-N 2.86Å; T433-Y437 PolarHBondContact O-N 3.3Å; T433-Y437 VanDerWaalsContact O-N 3.14Å
434H87.5Confident92.6Very high41 Ų4126 Ų2619%0.1914%0.137CC..Hα-helixtrans-66.3-38.9175.6-60.9162.4000111.8G436 Y437 F438 L496 E508H434-G436 VanDerWaalsContact C-N 3.35Å; H434-G436 PolarHBondContact O-N 2.97Å; H434-Y437 CarbonylContact O-C 3.59Å; H434-Y437 WeakPolarHBondContact O-CA 3.02Å; H434-Y437 WeakPolarHBondContact O-CB 3.22Å; H434-Y437 PolarHBondContact O-N 3.19Å; H434-Y437 VanDerWaalsContact O-N 3.11Å; H434-F438 HydrophobicContact CB-CE2 4.39Å; H434-F438 HydrophobicContact CB-CZ 4.44Å; H434-F438 WeakPolarHBondContact O-CD2 3.41Å; H434-F438 WeakPolarHBondContact O-CG 3.44Å; H434-F438 PolarHBondContact O-N 2.83Å; H434-L496 WeakPolarHBondContact CE1-CD2 2.92Å; H434-L496 VanDerWaalsContact ND1-CD2 3.27Å; H434-L496 WeakPolarHBondContact ND1-CD2 3.48Å; H434-E508 IonicContact ND1-OE1 2.97Å
435E89.3Confident92.7Very high129 Ų12926.8 Ų26.860%0.60314%0.143SC*.Hα-helixtrans-59.3-42.3173.7-67.5-57.9144.400112.5Y437 F438 A439E435-Y437 VanDerWaalsContact C-N 3.33Å; E435-Y437 PolarHBondContact O-N 3.04Å; E435-F438 PolarHBondContact O-N 2.65Å; E435-A439 WeakPolarHBondContact O-CB 3.4Å; E435-A439 PolarHBondContact O-N 2.88Å
436G90.6Very high92.8Very high11 Ų1127.2 Ų27.211%0.11315%0.148CC..Hα-helixtrans-63.8-38.3174.500000112.6T433 H434 C440T433-G436 PolarHBondContact O-N 3.27Å; T433-G436 PolarHBondContact OG1-N 2.86Å; H434-G436 VanDerWaalsContact C-N 3.35Å; H434-G436 PolarHBondContact O-N 2.97Å; G436-C440 PolarHBondContact O-N 3.45Å; G436-C440 VanDerWaalsContact O-N 3.08Å; G436-C440 PolarHBondContact O-SG 3.03Å
437Y93.4Very high92.9Very high3 Ų323.5 Ų23.51%0.01213%0.132CC..Hα-helixtrans-64.2-45.2173.5170.3-111.8000111.7T428 F429 T433 H434 E435 C440 L441 Y512 S516T428-Y437 HydrophobicContact CG2-CD2 3.96Å; T428-Y437 HydrophobicContact CG2-CE2 4.08Å; F429-Y437 HydrophobicContact CD1-CE2 4.19Å; F429-Y437 AromaticContact CE1-CE2 3.94Å; F429-Y437 HydrophobicContact CE1-CE2 3.94Å; T433-Y437 PolarHBondContact O-N 3.3Å; T433-Y437 VanDerWaalsContact O-N 3.14Å; H434-Y437 CarbonylContact O-C 3.59Å; H434-Y437 WeakPolarHBondContact O-CA 3.02Å; H434-Y437 WeakPolarHBondContact O-CB 3.22Å; H434-Y437 PolarHBondContact O-N 3.19Å; H434-Y437 VanDerWaalsContact O-N 3.11Å; E435-Y437 VanDerWaalsContact C-N 3.33Å; E435-Y437 PolarHBondContact O-N 3.04Å; Y437-C440 CarbonylContact O-C 3.23Å; Y437-C440 WeakPolarHBondContact O-CA 2.92Å; Y437-C440 WeakPolarHBondContact O-CB 2.8Å; Y437-C440 PolarHBondContact O-N 3.41Å; Y437-C440 VanDerWaalsContact O-N 3.12Å; Y437-L441 HydrophobicContact CD1-CD1 4.22Å; Y437-L441 HydrophobicContact CD2-CG 4.42Å; Y437-L441 HydrophobicContact CE1-CD1 3.57Å; Y437-L441 HydrophobicContact CE1-CG 4.13Å; Y437-L441 HydrophobicContact CE2-CD1 4.27Å; Y437-L441 HydrophobicContact CE2-CD2 3.83Å; Y437-L441 HydrophobicContact CE2-CG 4.01Å; Y437-L441 WeakPolarHBondContact O-CG 3.24Å; Y437-L441 PolarHBondContact O-N 3.31Å; Y437-Y512 HydrophobicContact CD1-CD2 4.44Å; Y437-Y512 AromaticContact CD1-CE2 3.75Å; Y437-Y512 HydrophobicContact CD1-CE2 3.75Å; Y437-Y512 HydrophobicContact CE1-CD2 4.39Å; Y437-Y512 AromaticContact CE1-CE2 3.64Å; Y437-Y512 HydrophobicContact CE1-CE2 3.64Å; Y437-Y512 AromaticContact CE1-CZ 3.94Å; Y437-S516 PolarHBondContact OH-OG 3.39Å
438F93.4Very high92.9Very high12 Ų1223.5 Ų23.55%0.05313%0.132CC..Hα-helixtrans-61.1-46.5176-65.9-19.9000112.4H434 E435 C440 L441 D442 Y512 Q515H434-F438 HydrophobicContact CB-CE2 4.39Å; H434-F438 HydrophobicContact CB-CZ 4.44Å; H434-F438 WeakPolarHBondContact O-CD2 3.41Å; H434-F438 WeakPolarHBondContact O-CG 3.44Å; H434-F438 PolarHBondContact O-N 2.83Å; E435-F438 PolarHBondContact O-N 2.65Å; F438-C440 PolarHBondContact O-N 3.31Å; F438-L441 WeakPolarHBondContact O-CB 3.46Å; F438-L441 PolarHBondContact O-N 3.31Å; F438-D442 PolarHBondContact O-N 3.02Å; F438-Y512 AromaticContact CE1-CD2 3.51Å; F438-Y512 HydrophobicContact CE1-CD2 3.51Å; F438-Y512 HydrophobicContact CE1-CE2 4.23Å; F438-Y512 HydrophobicContact CE1-CG 4.19Å; F438-Y512 AromaticContact CZ-CD2 3.69Å; F438-Y512 HydrophobicContact CZ-CD2 3.69Å; F438-Y512 HydrophobicContact CZ-CG 4.25Å; F438-Q515 HydrophobicContact CD1-CB 4.5Å; F438-Q515 HydrophobicContact CD1-CG 4.41Å
439A94.6Very high92.9Very high32 Ų3226.7 Ų26.726%0.26415%0.149SC..Hα-helixtrans-58.6-34.9174.100000111.8T395 E435 I443T395-A439 HydrophobicContact CG2-CB 3.69Å; E435-A439 WeakPolarHBondContact O-CB 3.4Å; E435-A439 PolarHBondContact O-N 2.88Å; A439-I443 WeakPolarHBondContact O-CG1 3.14Å; A439-I443 PolarHBondContact O-N 3.42Å
440C96.3Very high92.8Very high0 Ų027.6 Ų27.60%015%0.153CC..Hα-helixtrans-71.1-39.7172.7-70.70000113.3T428 G436 Y437 F438 D442 I443 W444T428-C440 HydrophobicContact CG2-CB 3.62Å; T428-C440 WeakPolarHBondContact OG1-CB 3.5Å; G436-C440 PolarHBondContact O-N 3.45Å; G436-C440 VanDerWaalsContact O-N 3.08Å; G436-C440 PolarHBondContact O-SG 3.03Å; Y437-C440 CarbonylContact O-C 3.23Å; Y437-C440 WeakPolarHBondContact O-CA 2.92Å; Y437-C440 WeakPolarHBondContact O-CB 2.8Å; Y437-C440 PolarHBondContact O-N 3.41Å; Y437-C440 VanDerWaalsContact O-N 3.12Å; F438-C440 PolarHBondContact O-N 3.31Å; C440-D442 VanDerWaalsContact C-N 3.26Å; C440-D442 PolarHBondContact O-N 3.06Å; C440-I443 WeakPolarHBondContact O-CB 3.37Å; C440-I443 PolarHBondContact O-N 3.14Å; C440-I443 VanDerWaalsContact O-N 3.12Å; C440-W444 PolarHBondContact O-N 3.34Å
441L96Very high92.7Very high1 Ų126.6 Ų26.61%0.00515%0.147CC..Hα-helixtrans-61.7-35.4174.6-68.7-173.1000111.7Y437 F438 I443 W444 S445 I480 Q515 V519Y437-L441 HydrophobicContact CD1-CD1 4.22Å; Y437-L441 HydrophobicContact CD2-CG 4.42Å; Y437-L441 HydrophobicContact CE1-CD1 3.57Å; Y437-L441 HydrophobicContact CE1-CG 4.13Å; Y437-L441 HydrophobicContact CE2-CD1 4.27Å; Y437-L441 HydrophobicContact CE2-CD2 3.83Å; Y437-L441 HydrophobicContact CE2-CG 4.01Å; Y437-L441 WeakPolarHBondContact O-CG 3.24Å; Y437-L441 PolarHBondContact O-N 3.31Å; F438-L441 WeakPolarHBondContact O-CB 3.46Å; F438-L441 PolarHBondContact O-N 3.31Å; L441-I443 VanDerWaalsContact C-N 3.32Å; L441-I443 PolarHBondContact O-N 3.34Å; L441-W444 WeakPolarHBondContact O-CB 3.48Å; L441-W444 PolarHBondContact O-N 3.38Å; L441-S445 WeakPolarHBondContact O-CB 3.4Å; L441-S445 PolarHBondContact O-N 3.24Å; L441-S445 PolarHBondContact O-OG 3.21Å; L441-I480 HydrophobicContact CD2-CD1 4.31Å; L441-Q515 HydrophobicContact CD1-CG 4.12Å; L441-V519 HydrophobicContact CB-CG2 4.06Å; L441-V519 HydrophobicContact CD2-CG2 4.13Å; L441-V519 HydrophobicContact CG-CG2 4.49Å
442D95.8Very high92.7Very high50 Ų5026.6 Ų26.627%0.26715%0.148SC..Hα-helixtrans-60.7-41.6172.2-76.61.8000111.6R399 F438 C440 W444 S445 V446 Q515R399-D442 IonicContact CZ-OD2 3.3Å; R399-D442 IonicContact NH1-OD2 2.65Å; R399-D442 PolarHBondContact NH1-OD2 3.17Å; F438-D442 PolarHBondContact O-N 3.02Å; C440-D442 VanDerWaalsContact C-N 3.26Å; C440-D442 PolarHBondContact O-N 3.06Å; D442-W444 VanDerWaalsContact C-N 3.35Å; D442-S445 WeakPolarHBondContact O-CB 3.48Å; D442-S445 PolarHBondContact O-N 3.45Å; D442-V446 WeakPolarHBondContact O-CG2 3.49Å; D442-V446 PolarHBondContact O-N 3.4Å; D442-Q515 PolarHBondContact OD1-NE2 3.17Å
443I95.8Very high92.8Very high0 Ų028.9 Ų28.90%016%0.162CC..Hα-helixtrans-61.9-44.8175.8-61168.9000110.4T395 L398 R399 V402 L424 A439 C440 L441 S445 V446 F447T395-I443 HydrophobicContact CG2-CD1 3.96Å; L398-I443 HydrophobicContact CB-CD1 3.72Å; R399-I443 HydrophobicContact CB-CD1 4.21Å; R399-I443 HydrophobicContact CB-CG1 3.79Å; R399-I443 HydrophobicContact CG-CG1 4.3Å; V402-I443 HydrophobicContact CB-CG2 4.02Å; V402-I443 HydrophobicContact CG1-CG2 4.19Å; V402-I443 HydrophobicContact CG2-CG2 3.73Å; L424-I443 HydrophobicContact CD1-CG2 4.44Å; L424-I443 HydrophobicContact CD2-CG2 4.1Å; A439-I443 WeakPolarHBondContact O-CG1 3.14Å; A439-I443 PolarHBondContact O-N 3.42Å; C440-I443 WeakPolarHBondContact O-CB 3.37Å; C440-I443 PolarHBondContact O-N 3.14Å; C440-I443 VanDerWaalsContact O-N 3.12Å; L441-I443 VanDerWaalsContact C-N 3.32Å; L441-I443 PolarHBondContact O-N 3.34Å; I443-S445 VanDerWaalsContact C-N 3.35Å; I443-V446 PolarHBondContact O-N 3.37Å; I443-F447 PolarHBondContact O-N 3.18Å
444W96.6Very high92.6Very high2 Ų227.1 Ų27.11%0.00815%0.149CC..Hα-helixtrans-61.1-43.5174.6-76.6108.7000111.7L421 L424 F425 T428 C440 L441 D442 V446 F447 L448 L476 V519L421-W444 HydrophobicContact CB-CH2 4.17Å; L421-W444 HydrophobicContact CD2-CH2 3.91Å; L421-W444 HydrophobicContact CD2-CZ3 3.77Å; L424-W444 HydrophobicContact CB-CZ2 4.1Å; L424-W444 HydrophobicContact CD2-CD2 4.18Å; L424-W444 HydrophobicContact CD2-CH2 4.2Å; L424-W444 HydrophobicContact CD2-CZ2 3.79Å; L424-W444 HydrophobicContact CG-CZ2 3.76Å; F425-W444 HydrophobicContact CB-CZ2 4.12Å; T428-W444 PolarHBondContact OG1-NE1 3.31Å; C440-W444 PolarHBondContact O-N 3.34Å; L441-W444 WeakPolarHBondContact O-CB 3.48Å; L441-W444 PolarHBondContact O-N 3.38Å; D442-W444 VanDerWaalsContact C-N 3.35Å; W444-V446 PolarHBondContact O-N 3.35Å; W444-F447 HydrophobicContact CE3-CD1 4.19Å; W444-F447 HydrophobicContact CZ3-CD1 4.29Å; W444-F447 WeakPolarHBondContact O-CB 3.21Å; W444-F447 PolarHBondContact O-N 3.21Å; W444-F447 VanDerWaalsContact O-N 3.16Å; W444-L448 VanDerWaalsContact O-CG 3.22Å; W444-L448 WeakPolarHBondContact O-CG 3.34Å; W444-L448 PolarHBondContact O-N 3.13Å; W444-L476 HydrophobicContact CD2-CD1 3.96Å; W444-L476 HydrophobicContact CD2-CD2 3.82Å; W444-L476 HydrophobicContact CE3-CD1 4.39Å; W444-L476 HydrophobicContact CE3-CD2 3.56Å; W444-L476 HydrophobicContact CG-CD1 4.29Å; W444-L476 HydrophobicContact CG-CD2 4.27Å; W444-L476 HydrophobicContact CZ2-CD1 4.16Å; W444-L476 HydrophobicContact CZ3-CD2 3.98Å; W444-V519 HydrophobicContact CB-CG1 4.4Å
445S95.8Very high92.4Very high17 Ų1725.9 Ų25.912%0.11914%0.144CC..Hα-helixtrans-57-47.1175.5-86.50000112.4L441 D442 I443 F447 L448 D449L441-S445 WeakPolarHBondContact O-CB 3.4Å; L441-S445 PolarHBondContact O-N 3.24Å; L441-S445 PolarHBondContact O-OG 3.21Å; D442-S445 WeakPolarHBondContact O-CB 3.48Å; D442-S445 PolarHBondContact O-N 3.45Å; I443-S445 VanDerWaalsContact C-N 3.35Å; S445-F447 VanDerWaalsContact C-N 3.32Å; S445-F447 PolarHBondContact O-N 3.08Å; S445-L448 PolarHBondContact O-N 3.41Å; S445-D449 PolarHBondContact O-N 3.46Å
446V94.5Very high92.1Very high42 Ų4225.8 Ų25.826%0.25514%0.141SC..Hα-helixtrans-61.1-41.8175.8173.40000111.2V402 D442 I443 W444 F450V402-V446 HydrophobicContact CG1-CB 4.4Å; V402-V446 HydrophobicContact CG1-CG1 4.06Å; D442-V446 WeakPolarHBondContact O-CG2 3.49Å; D442-V446 PolarHBondContact O-N 3.4Å; I443-V446 PolarHBondContact O-N 3.37Å; W444-V446 PolarHBondContact O-N 3.35Å; V446-F450 WeakPolarHBondContact O-CB 3.5Å; V446-F450 PolarHBondContact O-N 2.98Å
447F94.3Very high91.7Very high4 Ų429.4 Ų29.42%0.01816%0.164CC..Hα-helixtrans-63.5-43176.4173.9-103000112.6V402 L406 I417 L421 I443 W444 S445 F450 L451 Y469V402-F447 HydrophobicContact CG1-CB 4.05Å; L406-F447 HydrophobicContact CD2-CD2 3.56Å; L406-F447 HydrophobicContact CD2-CE2 4.02Å; I417-F447 HydrophobicContact CD1-CE2 4.39Å; L421-F447 HydrophobicContact CD1-CE1 4.08Å; L421-F447 HydrophobicContact CD1-CZ 3.76Å; L421-F447 HydrophobicContact CD2-CD1 4.33Å; L421-F447 HydrophobicContact CD2-CD2 4.43Å; L421-F447 HydrophobicContact CD2-CE1 4.07Å; L421-F447 HydrophobicContact CD2-CE2 4.17Å; L421-F447 HydrophobicContact CD2-CZ 3.99Å; L421-F447 HydrophobicContact CG-CZ 4.48Å; I443-F447 PolarHBondContact O-N 3.18Å; W444-F447 HydrophobicContact CE3-CD1 4.19Å; W444-F447 HydrophobicContact CZ3-CD1 4.29Å; W444-F447 WeakPolarHBondContact O-CB 3.21Å; W444-F447 PolarHBondContact O-N 3.21Å; W444-F447 VanDerWaalsContact O-N 3.16Å; S445-F447 VanDerWaalsContact C-N 3.32Å; S445-F447 PolarHBondContact O-N 3.08Å; F447-F450 HydrophobicContact CD2-CD1 4.43Å; F447-F450 HydrophobicContact CE2-CD1 4.48Å; F447-F450 WeakPolarHBondContact O-CB 3.27Å; F447-F450 PolarHBondContact O-N 3.29Å; F447-L451 HydrophobicContact CE1-CD2 4.44Å; F447-L451 PolarHBondContact O-N 3.44Å; F447-Y469 AromaticContact CZ-CD1 3.96Å; F447-Y469 HydrophobicContact CZ-CD1 3.96Å; F447-Y469 AromaticContact CZ-CE1 3.97Å; F447-Y469 HydrophobicContact CZ-CE1 3.97Å
448L94.3Very high90.8Very high0 Ų035.6 Ų35.60%019%0.188CC..Hα-helixtrans-65.7-41.9178.9-66.5169000111.1W444 S445 F450 L451 T452 L473 V519 K522 V523 L526W444-L448 VanDerWaalsContact O-CG 3.22Å; W444-L448 WeakPolarHBondContact O-CG 3.34Å; W444-L448 PolarHBondContact O-N 3.13Å; S445-L448 PolarHBondContact O-N 3.41Å; L448-F450 VanDerWaalsContact C-N 3.32Å; L448-F450 PolarHBondContact O-N 3.45Å; L448-L451 PolarHBondContact O-N 3.1Å; L448-L451 VanDerWaalsContact O-N 3.12Å; L448-T452 WeakPolarHBondContact O-CB 3.44Å; L448-T452 PolarHBondContact O-N 3.07Å; L448-T452 PolarHBondContact O-OG1 2.73Å; L448-T452 VanDerWaalsContact O-OG1 3.12Å; L448-L473 HydrophobicContact CD2-CD2 3.5Å; L448-V519 HydrophobicContact CD1-CG1 3.85Å; L448-K522 HydrophobicContact CB-CB 4.11Å; L448-K522 HydrophobicContact CB-CD 4.26Å; L448-K522 HydrophobicContact CD1-CB 3.7Å; L448-K522 HydrophobicContact CD1-CD 4.43Å; L448-K522 HydrophobicContact CG-CB 4.48Å; L448-V523 HydrophobicContact CD1-CG2 3.85Å; L448-V523 HydrophobicContact CD2-CG2 3.97Å; L448-L526 HydrophobicContact CB-CD1 4.49Å; L448-L526 HydrophobicContact CD2-CD1 3.67Å
449D93.1Very high89.4Confident69 Ų6941.2 Ų41.237%0.36922%0.218SC..Hα-helixtrans-62.9-39.9176.3-64.7-21.6000111.7S445 T453 K522S445-D449 PolarHBondContact O-N 3.46Å; D449-T453 WeakPolarHBondContact O-CB 3.18Å; D449-T453 PolarHBondContact O-N 3.33Å; D449-T453 PolarHBondContact O-OG1 3.48Å; D449-K522 VanDerWaalsContact OD1-CE 3.32Å; D449-K522 WeakPolarHBondContact OD1-CE 3.12Å; D449-K522 IonicContact OD1-NZ 3.27Å; D449-K522 PolarHBondContact OD1-NZ 3.33Å; D449-K522 IonicContact OD2-NZ 2.65Å; D449-K522 PolarHBondContact OD2-NZ 3.29Å
450F90.6Very high88.2Confident37 Ų3744.5 Ų44.516%0.16225%0.245CC..Hα-helixtrans-59.3-47.7171.4162.8-102.4000111.5R407 E410 V446 F447 L448 T453 K454R407-F450 HydrophobicContact CB-CD2 4.21Å; R407-F450 HydrophobicContact CB-CE2 3.67Å; R407-F450 HydrophobicContact CB-CZ 4.42Å; R407-F450 HydrophobicContact CG-CD2 4.47Å; R407-F450 HydrophobicContact CG-CE2 3.75Å; E410-F450 HydrophobicContact CG-CE1 4.49Å; V446-F450 WeakPolarHBondContact O-CB 3.5Å; V446-F450 PolarHBondContact O-N 2.98Å; F447-F450 HydrophobicContact CD2-CD1 4.43Å; F447-F450 HydrophobicContact CE2-CD1 4.48Å; F447-F450 WeakPolarHBondContact O-CB 3.27Å; F447-F450 PolarHBondContact O-N 3.29Å; L448-F450 VanDerWaalsContact C-N 3.32Å; L448-F450 PolarHBondContact O-N 3.45Å; F450-T453 PolarHBondContact O-N 3.14Å; F450-K454 HydrophobicContact CE1-CD 4.48Å; F450-K454 HydrophobicContact CZ-CD 4.16Å; F450-K454 WeakPolarHBondContact O-CB 3.5Å; F450-K454 PolarHBondContact O-N 3.33Å
451L89.8Confident87.2Confident1 Ų148.8 Ų48.81%0.00527%0.268CS..Hα-helixtrans-64.8-43.3-179.6-177.456.4000111.8F447 L448 T453 K454 I455 V465 Y469 L473 L526F447-L451 HydrophobicContact CE1-CD2 4.44Å; F447-L451 PolarHBondContact O-N 3.44Å; L448-L451 PolarHBondContact O-N 3.1Å; L448-L451 VanDerWaalsContact O-N 3.12Å; L451-T453 PolarHBondContact O-N 3.15Å; L451-K454 PolarHBondContact O-N 3.34Å; L451-I455 HydrophobicContact CD1-CD1 3.92Å; L451-I455 HydrophobicContact CD1-CG1 4.3Å; L451-I455 HydrophobicContact CG-CD1 3.86Å; L451-I455 WeakPolarHBondContact O-CD1 3.42Å; L451-I455 WeakPolarHBondContact O-CG1 3.47Å; L451-I455 PolarHBondContact O-N 2.78Å; L451-V465 HydrophobicContact CD1-CG1 4.17Å; L451-Y469 HydrophobicContact CD1-CD2 3.85Å; L451-Y469 HydrophobicContact CD1-CE2 4.13Å; L451-Y469 HydrophobicContact CD2-CD2 4.26Å; L451-Y469 HydrophobicContact CD2-CG 4.24Å; L451-L473 HydrophobicContact CD2-CD1 3.87Å; L451-L526 HydrophobicContact CB-CD1 4.42Å; L451-L526 HydrophobicContact CD2-CD1 3.88Å; L451-L526 HydrophobicContact CG-CD1 4.2Å; L451-L526 HydrophobicContact CG-CD2 4.2Å
452T89.6Confident86.3Confident11 Ų1154.5 Ų54.57%0.06729%0.289CS..Hα-helixtrans-57.6-47.6174.1-65.10000111L448 K454 I455 K456 E525 L526L448-T452 WeakPolarHBondContact O-CB 3.44Å; L448-T452 PolarHBondContact O-N 3.07Å; L448-T452 PolarHBondContact O-OG1 2.73Å; L448-T452 VanDerWaalsContact O-OG1 3.12Å; T452-K454 PolarHBondContact O-N 3.11Å; T452-I455 PolarHBondContact O-N 3.39Å; T452-K456 HydrophobicContact CG2-CD 4.01Å; T452-K456 VanDerWaalsContact CG2-NZ 3.34Å; T452-K456 WeakPolarHBondContact O-CB 3.33Å; T452-K456 WeakPolarHBondContact O-CG 3.25Å; T452-K456 PolarHBondContact O-N 3.33Å; T452-E525 WeakPolarHBondContact CG2-OE1 3.42Å; T452-L526 WeakPolarHBondContact OG1-CD2 3.23Å
453T88.8Confident85.5Confident84 Ų8459.4 Ų59.452%0.51531%0.311SS..Hα-helixtrans-62.6-42.2177.1-57.40000111.6D449 F450 L451 K456 S457D449-T453 WeakPolarHBondContact O-CB 3.18Å; D449-T453 PolarHBondContact O-N 3.33Å; D449-T453 PolarHBondContact O-OG1 3.48Å; F450-T453 PolarHBondContact O-N 3.14Å; L451-T453 PolarHBondContact O-N 3.15Å; T453-K456 PolarHBondContact O-N 3.41Å; T453-S457 WeakPolarHBondContact O-CB 3.34Å; T453-S457 PolarHBondContact O-N 2.8Å; T453-S457 PolarHBondContact O-OG 2.92Å
454K84.2Confident84.8Confident24 Ų2462.9 Ų62.910%0.10434%0.335CS..Hα-helixtrans-61.5-45.5178.1-175.8175.5176.7177.20111.6E410 F450 L451 T452 S457 R458 V465E410-K454 IonicContact OE1-NZ 3.67Å; E410-K454 PolarHBondContact OE1-NZ 3.18Å; E410-K454 IonicContact OE2-NZ 3Å; E410-K454 PolarHBondContact OE2-NZ 3.37Å; F450-K454 HydrophobicContact CE1-CD 4.48Å; F450-K454 HydrophobicContact CZ-CD 4.16Å; F450-K454 WeakPolarHBondContact O-CB 3.5Å; F450-K454 PolarHBondContact O-N 3.33Å; L451-K454 PolarHBondContact O-N 3.34Å; T452-K454 PolarHBondContact O-N 3.11Å; K454-S457 PolarHBondContact O-N 3.14Å; K454-S457 PolarHBondContact O-OG 3.45Å; K454-R458 PolarHBondContact O-N 3.42Å; K454-R458 VanDerWaalsContact O-N 3.08Å; K454-V465 HydrophobicContact CD-CG1 4.39Å
455I84.3Confident84.1Confident15 Ų1563.7 Ų63.78%0.07734%0.34CS..Hα-helixtrans-64.6-44.4178.3-70.6158.9000111.1L451 T452 S457 R458 R462 L466 L526L451-I455 HydrophobicContact CD1-CD1 3.92Å; L451-I455 HydrophobicContact CD1-CG1 4.3Å; L451-I455 HydrophobicContact CG-CD1 3.86Å; L451-I455 WeakPolarHBondContact O-CD1 3.42Å; L451-I455 WeakPolarHBondContact O-CG1 3.47Å; L451-I455 PolarHBondContact O-N 2.78Å; T452-I455 PolarHBondContact O-N 3.39Å; I455-S457 PolarHBondContact O-N 2.84Å; I455-R458 CarbonylContact O-C 3.59Å; I455-R458 PolarHBondContact O-N 2.95Å; I455-R462 HydrophobicContact CG2-CB 4.45Å; I455-R462 HydrophobicContact CG2-CG 3.8Å; I455-L466 HydrophobicContact CD1-CD1 4.31Å; I455-L466 HydrophobicContact CD1-CD2 3.4Å; I455-L466 VanDerWaalsContact CD1-CD2 3.4Å; I455-L466 HydrophobicContact CD1-CG 3.69Å; I455-L466 HydrophobicContact CG1-CG 4.33Å; I455-L526 HydrophobicContact CD1-CD2 3.45Å; I455-L526 VanDerWaalsContact CD1-CD2 3.45Å
456K83.4Confident83.6Confident127 Ų12763.7 Ų63.755%0.55234%0.339SS*.Hα-helixtrans-59.8-34.7175.8-72.5174.4-177.3167.60111.8T452 T453 E525T452-K456 HydrophobicContact CG2-CD 4.01Å; T452-K456 VanDerWaalsContact CG2-NZ 3.34Å; T452-K456 WeakPolarHBondContact O-CB 3.33Å; T452-K456 WeakPolarHBondContact O-CG 3.25Å; T452-K456 PolarHBondContact O-N 3.33Å; T453-K456 PolarHBondContact O-N 3.41Å; K456-E525 IonicContact NZ-OE1 3.45Å; K456-E525 PolarHBondContact NZ-OE1 3.01Å
457S81Confident83.1Confident86 Ų8666.5 Ų66.560%0.60135%0.352SS*.Hα-helixtrans-80.2-23.3179.174.10000115.7T453 K454 I455T453-S457 WeakPolarHBondContact O-CB 3.34Å; T453-S457 PolarHBondContact O-N 2.8Å; T453-S457 PolarHBondContact O-OG 2.92Å; K454-S457 PolarHBondContact O-N 3.14Å; K454-S457 PolarHBondContact O-OG 3.45Å; I455-S457 PolarHBondContact O-N 2.84Å
458R73.8Confident82.8Confident133 Ų13371.6 Ų71.650%0.50237%0.372SS..  trans-124.762.5-175.4-67.5-168.2179.9-1731.3111.7K454 I455 A460 D461 R462K454-R458 PolarHBondContact O-N 3.42Å; K454-R458 VanDerWaalsContact O-N 3.08Å; I455-R458 CarbonylContact O-C 3.59Å; I455-R458 PolarHBondContact O-N 2.95Å; R458-A460 VanDerWaalsContact C-N 3.27Å; R458-A460 PolarHBondContact O-N 3.48Å; R458-D461 PolarHBondContact O-N 2.94Å; R458-R462 PolarHBondContact O-N 3.17Å
459L65.9Low82.6Confident130 Ų13071.7 Ų71.768%0.68137%0.372SS*.G310 helixtrans-58.7-33.3-174.6-67.3174000114D461 R462L459-D461 PolarHBondContact O-N 3.37Å; L459-R462 WeakPolarHBondContact O-CB 3.49Å
460A68.8Low82.4Confident101 Ų10171.2 Ų71.284%0.83537%0.366SS*.G310 helixtrans-68-30.6-17800000114R458R458-A460 VanDerWaalsContact C-N 3.27Å; R458-A460 PolarHBondContact O-N 3.48Å
461D74.8Confident82.4Confident91 Ų9175.6 Ų75.649%0.48739%0.392SS..G310 helixtrans-106.912.1-176.8-67.4-30000112.8R458 L459 E463 S464 V465R458-D461 PolarHBondContact O-N 2.94Å; L459-D461 PolarHBondContact O-N 3.37Å; D461-E463 VanDerWaalsContact C-N 3.34Å; D461-E463 PolarHBondContact O-N 3.18Å; D461-S464 PolarHBondContact O-N 2.98Å; D461-S464 VanDerWaalsContact O-N 3.09Å; D461-S464 PolarHBondContact O-OG 3.37Å; D461-V465 HydrophobicContact CB-CG2 4.48Å; D461-V465 PolarHBondContact O-N 2.95Å; D461-V465 VanDerWaalsContact O-N 3.12Å
462R77.9Confident82.4Confident120 Ų12076.7 Ų76.745%0.45340%0.401SS..Hα-helixtrans-48.3-50.5-171.6169.7173.6-178.8-168.63.9113.3I455 R458 L459 V465 L466I455-R462 HydrophobicContact CG2-CB 4.45Å; I455-R462 HydrophobicContact CG2-CG 3.8Å; R458-R462 PolarHBondContact O-N 3.17Å; L459-R462 WeakPolarHBondContact O-CB 3.49Å; R462-V465 PolarHBondContact O-N 3.38Å; R462-L466 HydrophobicContact CG-CD1 3.74Å; R462-L466 WeakPolarHBondContact O-CB 3.36Å; R462-L466 WeakPolarHBondContact O-CG 3.35Å; R462-L466 PolarHBondContact O-N 3.14Å
463E78.5Confident82.6Confident154 Ų15476.2 Ų76.272%0.7240%0.398SS*.Hα-helixtrans-66.5-39.6-176.6-68.4-173.1169.200112.2D461 V465 L466 N467D461-E463 VanDerWaalsContact C-N 3.34Å; D461-E463 PolarHBondContact O-N 3.18Å; E463-V465 PolarHBondContact O-N 3.15Å; E463-L466 PolarHBondContact O-N 3.26Å; E463-N467 VanDerWaalsContact O-CB 3.26Å; E463-N467 WeakPolarHBondContact O-CB 3.46Å; E463-N467 PolarHBondContact O-N 3.44Å; E463-N467 PolarHBondContact O-ND2 2.87Å; E463-N467 VanDerWaalsContact O-ND2 3.1Å
464S81.7Confident82.8Confident73 Ų7374 Ų7451%0.5138%0.384SS..Hα-helixtrans-64.6-41.617975.10000112.1D461 R468D461-S464 PolarHBondContact O-N 2.98Å; D461-S464 VanDerWaalsContact O-N 3.09Å; D461-S464 PolarHBondContact O-OG 3.37Å; S464-R468 PolarHBondContact O-N 3.02Å
465V81.7Confident83.3Confident18 Ų1877 Ų7711%0.10940%0.401CS..Hα-helixtrans-69.2-45.2178177.80000110.4L451 K454 D461 R462 E463 R468 Y469L451-V465 HydrophobicContact CD1-CG1 4.17Å; K454-V465 HydrophobicContact CD-CG1 4.39Å; D461-V465 HydrophobicContact CB-CG2 4.48Å; D461-V465 PolarHBondContact O-N 2.95Å; D461-V465 VanDerWaalsContact O-N 3.12Å; R462-V465 PolarHBondContact O-N 3.38Å; E463-V465 PolarHBondContact O-N 3.15Å; V465-R468 WeakPolarHBondContact O-CB 3.4Å; V465-R468 PolarHBondContact O-N 3.1Å; V465-Y469 HydrophobicContact CG1-CD2 4.4Å; V465-Y469 HydrophobicContact CG1-CE2 4.23Å; V465-Y469 WeakPolarHBondContact O-CD2 3.42Å
466L83.9Confident83.8Confident17 Ų1776.3 Ų76.39%0.08940%0.397CS..Hα-helixtrans-62.4-43.2178.1-83169.1000112.2I455 R462 E463 R468 Y469 K470 L526 L527I455-L466 HydrophobicContact CD1-CD1 4.31Å; I455-L466 HydrophobicContact CD1-CD2 3.4Å; I455-L466 VanDerWaalsContact CD1-CD2 3.4Å; I455-L466 HydrophobicContact CD1-CG 3.69Å; I455-L466 HydrophobicContact CG1-CG 4.33Å; R462-L466 HydrophobicContact CG-CD1 3.74Å; R462-L466 WeakPolarHBondContact O-CB 3.36Å; R462-L466 WeakPolarHBondContact O-CG 3.35Å; R462-L466 PolarHBondContact O-N 3.14Å; E463-L466 PolarHBondContact O-N 3.26Å; L466-R468 PolarHBondContact O-N 3.38Å; L466-Y469 PolarHBondContact O-N 3.03Å; L466-K470 WeakPolarHBondContact O-CB 3.14Å; L466-K470 PolarHBondContact O-N 3.09Å; L466-L526 HydrophobicContact CD2-CB 4.4Å; L466-L526 HydrophobicContact CD2-CD2 4.49Å; L466-L527 HydrophobicContact CD2-CD2 4.13Å
467N85.5Confident84.3Confident101 Ų10170.4 Ų70.454%0.5437%0.372SS..Hα-helixtrans-60.6-30.7179.4-76.1-28000112.6E463 Y469E463-N467 VanDerWaalsContact O-CB 3.26Å; E463-N467 WeakPolarHBondContact O-CB 3.46Å; E463-N467 PolarHBondContact O-N 3.44Å; E463-N467 PolarHBondContact O-ND2 2.87Å; E463-N467 VanDerWaalsContact O-ND2 3.1Å; N467-Y469 VanDerWaalsContact C-N 3.32Å; N467-Y469 PolarHBondContact O-N 3.06Å
468R86.9Confident85Confident112 Ų11273.8 Ų73.842%0.42337%0.371SS..Hα-helixtrans-63.9-34.2175.3-172.7-178.9-174.1-168.74.7113.3E410 S464 V465 L466E410-R468 PolarHBondContact O-NH1 2.88Å; E410-R468 IonicContact OE1-NH1 3.67Å; E410-R468 PolarHBondContact OE1-NH1 3.29Å; S464-R468 PolarHBondContact O-N 3.02Å; V465-R468 WeakPolarHBondContact O-CB 3.4Å; V465-R468 PolarHBondContact O-N 3.1Å; L466-R468 PolarHBondContact O-N 3.38Å
469Y89.6Confident86Confident2 Ų270.3 Ų70.31%0.00836%0.361CS..Hα-helixtrans-102.1-10.2-175.1-65.7-69.1000113.7E410 I417 L421 F447 L451 V465 L466 N467 D471 A472 L473E410-Y469 VanDerWaalsContact CD-OH 3.28Å; E410-Y469 VanDerWaalsContact CG-OH 3.22Å; E410-Y469 WeakPolarHBondContact CG-OH 3.29Å; E410-Y469 PolarHBondContact OE1-OH 2.9Å; I417-Y469 HydrophobicContact CG1-CE1 3.64Å; I417-Y469 HydrophobicContact CG2-CE1 4Å; L421-Y469 HydrophobicContact CD1-CD1 3.75Å; L421-Y469 HydrophobicContact CD1-CE1 4Å; F447-Y469 AromaticContact CZ-CD1 3.96Å; F447-Y469 HydrophobicContact CZ-CD1 3.96Å; F447-Y469 AromaticContact CZ-CE1 3.97Å; F447-Y469 HydrophobicContact CZ-CE1 3.97Å; L451-Y469 HydrophobicContact CD1-CD2 3.85Å; L451-Y469 HydrophobicContact CD1-CE2 4.13Å; L451-Y469 HydrophobicContact CD2-CD2 4.26Å; L451-Y469 HydrophobicContact CD2-CG 4.24Å; V465-Y469 HydrophobicContact CG1-CD2 4.4Å; V465-Y469 HydrophobicContact CG1-CE2 4.23Å; V465-Y469 WeakPolarHBondContact O-CD2 3.42Å; L466-Y469 PolarHBondContact O-N 3.03Å; N467-Y469 VanDerWaalsContact C-N 3.32Å; N467-Y469 PolarHBondContact O-N 3.06Å; Y469-D471 PolarHBondContact O-N 3.49Å; Y469-A472 PolarHBondContact O-N 2.86Å; Y469-L473 WeakPolarHBondContact O-CG 3.34Å; Y469-L473 PolarHBondContact O-N 3.44Å
470K89.4Confident87.3Confident58 Ų5864.1 Ų64.125%0.25233%0.328SS..Hα-helixtrans-49.9-55.3-170.1-176.7-177.5174.51780113.5L466 A472 L473 V474 L527 H530L466-K470 WeakPolarHBondContact O-CB 3.14Å; L466-K470 PolarHBondContact O-N 3.09Å; K470-A472 VanDerWaalsContact C-N 3.34Å; K470-A472 PolarHBondContact O-N 3.35Å; K470-L473 PolarHBondContact O-N 3.21Å; K470-V474 WeakPolarHBondContact O-CG2 3.49Å; K470-V474 PolarHBondContact O-N 2.97Å; K470-L527 HydrophobicContact CG-CD1 4.29Å; K470-L527 HydrophobicContact CG-CD2 4.49Å; K470-H530 VanDerWaalsContact CE-CD2 3.49Å; K470-H530 WeakPolarHBondContact CE-CD2 3.37Å; K470-H530 WeakPolarHBondContact CE-CE1 3.42Å; K470-H530 WeakPolarHBondContact CE-NE2 3.41Å; K470-H530 PolarHBondContact NZ-CE1 2.87Å; K470-H530 PolarHBondContact NZ-NE2 3.12Å
471D90.4Very high88.5Confident130 Ų13059.5 Ų59.570%0.69529%0.289SS*.Hα-helixtrans-65.6-38.4-174-62-28000112.1Y469 V474 L475Y469-D471 PolarHBondContact O-N 3.49Å; D471-V474 PolarHBondContact O-N 3.3Å; D471-L475 WeakPolarHBondContact O-CB 3.24Å; D471-L475 PolarHBondContact O-N 3.37Å
472A91Very high89.4Confident23 Ų2356.6 Ų56.619%0.1927%0.274CS..Hα-helixtrans-65.3-41.2177.100000111.8L421 Y469 K470 L475 L476L421-A472 HydrophobicContact CD1-CB 4.31Å; Y469-A472 PolarHBondContact O-N 2.86Å; K470-A472 VanDerWaalsContact C-N 3.34Å; K470-A472 PolarHBondContact O-N 3.35Å; A472-L475 PolarHBondContact O-N 3.44Å; A472-L476 WeakPolarHBondContact O-CB 3.18Å; A472-L476 PolarHBondContact O-N 2.86Å
473L94.1Very high90Very high1 Ų152 Ų521%0.00526%0.256CS..Hα-helixtrans-69.9-39.1178.4-67.2179.7000112.4L448 L451 Y469 K470 L475 L476 L477 V523 L526 L527L448-L473 HydrophobicContact CD2-CD2 3.5Å; L451-L473 HydrophobicContact CD2-CD1 3.87Å; Y469-L473 WeakPolarHBondContact O-CG 3.34Å; Y469-L473 PolarHBondContact O-N 3.44Å; K470-L473 PolarHBondContact O-N 3.21Å; L473-L475 VanDerWaalsContact C-N 3.35Å; L473-L476 PolarHBondContact O-N 3.27Å; L473-L477 WeakPolarHBondContact O-CB 3.48Å; L473-L477 PolarHBondContact O-N 3.24Å; L473-V523 HydrophobicContact CB-CG1 4.21Å; L473-V523 HydrophobicContact CD2-CG2 4.49Å; L473-L526 HydrophobicContact CD1-CD1 4.27Å; L473-L527 HydrophobicContact CB-CD1 3.54Å; L473-L527 HydrophobicContact CD1-CD1 3.78Å; L473-L527 HydrophobicContact CD1-CG 4.23Å; L473-L527 HydrophobicContact CG-CD1 4.29Å
474V92.9Very high90.7Very high39 Ų3944.6 Ų44.624%0.23622%0.222CC..Hα-helixtrans-66.2-39.4174.8173.20000110.9K470 D471 L477 R478 L527 H530K470-V474 WeakPolarHBondContact O-CG2 3.49Å; K470-V474 PolarHBondContact O-N 2.97Å; D471-V474 PolarHBondContact O-N 3.3Å; V474-L477 PolarHBondContact O-N 3.47Å; V474-R478 WeakPolarHBondContact O-CB 3.33Å; V474-R478 PolarHBondContact O-N 3.19Å; V474-L527 HydrophobicContact CG2-CD1 4.2Å; V474-H530 HydrophobicContact CG2-CB 3.93Å
475L93.6Very high91.3Very high86 Ų8641.2 Ų41.245%0.4520%0.198SC..Hα-helixtrans-63.9-45.8174.5-170.577.4000111.5F425 D471 A472 L473 L477 R478 E479F425-L475 HydrophobicContact CD1-CD2 4.17Å; F425-L475 HydrophobicContact CD2-CD2 4.07Å; F425-L475 HydrophobicContact CD2-CG 4.36Å; F425-L475 HydrophobicContact CE1-CD2 3.96Å; F425-L475 HydrophobicContact CE1-CG 4.42Å; F425-L475 HydrophobicContact CE2-CB 4.47Å; F425-L475 HydrophobicContact CE2-CD2 3.85Å; F425-L475 HydrophobicContact CE2-CG 3.73Å; F425-L475 HydrophobicContact CG-CD2 4.24Å; F425-L475 HydrophobicContact CZ-CD2 3.8Å; F425-L475 HydrophobicContact CZ-CG 3.77Å; D471-L475 WeakPolarHBondContact O-CB 3.24Å; D471-L475 PolarHBondContact O-N 3.37Å; A472-L475 PolarHBondContact O-N 3.44Å; L473-L475 VanDerWaalsContact C-N 3.35Å; L475-L477 PolarHBondContact O-N 2.86Å; L475-R478 PolarHBondContact O-N 3.49Å; L475-E479 PolarHBondContact O-N 3.19Å
476L95.2Very high91.8Very high0 Ų040.6 Ų40.60%019%0.194CC..Hα-helixtrans-55.9-50.4175.5-18068000111F425 F429 W444 A472 L473 R478 E479 I480 V519 V523F425-L476 HydrophobicContact CD2-CD1 4.46Å; F429-L476 HydrophobicContact CE2-CD1 3.89Å; F429-L476 HydrophobicContact CZ-CD1 3.88Å; W444-L476 HydrophobicContact CD2-CD1 3.96Å; W444-L476 HydrophobicContact CD2-CD2 3.82Å; W444-L476 HydrophobicContact CE3-CD1 4.39Å; W444-L476 HydrophobicContact CE3-CD2 3.56Å; W444-L476 HydrophobicContact CG-CD1 4.29Å; W444-L476 HydrophobicContact CG-CD2 4.27Å; W444-L476 HydrophobicContact CZ2-CD1 4.16Å; W444-L476 HydrophobicContact CZ3-CD2 3.98Å; A472-L476 WeakPolarHBondContact O-CB 3.18Å; A472-L476 PolarHBondContact O-N 2.86Å; L473-L476 PolarHBondContact O-N 3.27Å; L476-R478 PolarHBondContact O-N 3.41Å; L476-E479 PolarHBondContact O-N 3.21Å; L476-I480 HydrophobicContact CD1-CD1 3.96Å; L476-I480 HydrophobicContact CD1-CG1 4.37Å; L476-I480 HydrophobicContact CG-CD1 3.9Å; L476-I480 VanDerWaalsContact O-CG1 3.3Å; L476-I480 WeakPolarHBondContact O-CG1 3.47Å; L476-I480 PolarHBondContact O-N 3.24Å; L476-V519 HydrophobicContact CD2-CG1 4.13Å; L476-V523 HydrophobicContact CD2-CG2 4.13Å
477L94.4Very high92Very high3 Ų344.3 Ų44.32%0.01621%0.207CC..Hα-helixtrans-55.2-52.1177173.267.5000111.6L473 V474 L475 E479 I480 L481 V520 V523 A531 T534L473-L477 WeakPolarHBondContact O-CB 3.48Å; L473-L477 PolarHBondContact O-N 3.24Å; V474-L477 PolarHBondContact O-N 3.47Å; L475-L477 PolarHBondContact O-N 2.86Å; L477-E479 VanDerWaalsContact C-N 3.31Å; L477-E479 PolarHBondContact O-N 2.83Å; L477-I480 PolarHBondContact O-N 2.72Å; L477-L481 HydrophobicContact CD1-CD1 4.12Å; L477-L481 HydrophobicContact CD1-CG 4.27Å; L477-L481 HydrophobicContact CG-CD1 4.16Å; L477-L481 WeakPolarHBondContact O-CG 3.46Å; L477-L481 PolarHBondContact O-N 2.95Å; L477-V520 HydrophobicContact CD1-CB 4.16Å; L477-V520 HydrophobicContact CD1-CG1 3.58Å; L477-V520 HydrophobicContact CD1-CG2 3.95Å; L477-V523 HydrophobicContact CB-CG1 4.22Å; L477-A531 VanDerWaalsContact CD2-CA 3.41Å; L477-A531 HydrophobicContact CD2-CB 3.77Å; L477-T534 HydrophobicContact CD2-CG2 4.18Å; L477-T534 HydrophobicContact CG-CG2 4.46Å
478R94.3Very high92.2Very high157 Ų15745 Ų4559%0.59221%0.205SC*.Hα-helixtrans-59.8-42.8-177.1-177178.8178.4-177-0.5111.7V474 L475 L476 L481 N482 T534V474-R478 WeakPolarHBondContact O-CB 3.33Å; V474-R478 PolarHBondContact O-N 3.19Å; L475-R478 PolarHBondContact O-N 3.49Å; L476-R478 PolarHBondContact O-N 3.41Å; R478-L481 PolarHBondContact O-N 3.43Å; R478-N482 VanDerWaalsContact O-CG 3.26Å; R478-N482 PolarHBondContact O-N 2.99Å; R478-N482 PolarHBondContact O-ND2 2.96Å; R478-N482 PolarHBondContact O-OD1 2.58Å; R478-T534 HydrophobicContact CB-CG2 4.36Å
479E94.8Very high92.2Very high60 Ų6040.9 Ų40.928%0.2819%0.192SC..Hα-helixtrans-71.7-39-178.2-16560.2-160.800112F425 F429 L475 L476 L477 L481 N482 R483F425-E479 HydrophobicContact CE2-CB 3.67Å; F425-E479 HydrophobicContact CE2-CG 4.16Å; F425-E479 HydrophobicContact CZ-CB 3.56Å; F425-E479 HydrophobicContact CZ-CG 3.68Å; F429-E479 HydrophobicContact CB-CG 4.37Å; F429-E479 HydrophobicContact CD1-CB 4.47Å; F429-E479 HydrophobicContact CD1-CG 3.62Å; F429-E479 HydrophobicContact CD2-CB 4.31Å; F429-E479 HydrophobicContact CD2-CG 3.76Å; F429-E479 HydrophobicContact CE1-CB 4.12Å; F429-E479 HydrophobicContact CE1-CG 3.75Å; F429-E479 HydrophobicContact CE2-CB 3.99Å; F429-E479 HydrophobicContact CE2-CG 3.92Å; F429-E479 HydrophobicContact CG-CG 3.62Å; F429-E479 HydrophobicContact CZ-CB 3.89Å; F429-E479 HydrophobicContact CZ-CG 3.92Å; L475-E479 PolarHBondContact O-N 3.19Å; L476-E479 PolarHBondContact O-N 3.21Å; L477-E479 VanDerWaalsContact C-N 3.31Å; L477-E479 PolarHBondContact O-N 2.83Å; E479-L481 VanDerWaalsContact C-N 3.29Å; E479-L481 PolarHBondContact O-N 3.24Å; E479-N482 WeakPolarHBondContact O-CB 3.25Å; E479-N482 PolarHBondContact O-N 3.48Å; E479-N482 VanDerWaalsContact O-N 3.14Å; E479-N482 PolarHBondContact OE2-ND2 3.04Å; E479-N482 VanDerWaalsContact OE2-ND2 3.16Å; E479-R483 WeakPolarHBondContact O-CG 3.32Å; E479-R483 PolarHBondContact O-N 3.33Å
480I94.7Very high92.1Very high0 Ų042.3 Ų42.30%020%0.199CC..Hα-helixtrans-60-42.3172.8-64.3171.7000110.5F429 L441 L476 L477 N482 R483 I484 V519 V520F429-I480 HydrophobicContact CE1-CG1 4.03Å; F429-I480 HydrophobicContact CZ-CG1 3.75Å; L441-I480 HydrophobicContact CD2-CD1 4.31Å; L476-I480 HydrophobicContact CD1-CD1 3.96Å; L476-I480 HydrophobicContact CD1-CG1 4.37Å; L476-I480 HydrophobicContact CG-CD1 3.9Å; L476-I480 VanDerWaalsContact O-CG1 3.3Å; L476-I480 WeakPolarHBondContact O-CG1 3.47Å; L476-I480 PolarHBondContact O-N 3.24Å; L477-I480 PolarHBondContact O-N 2.72Å; I480-N482 VanDerWaalsContact C-N 3.34Å; I480-N482 PolarHBondContact O-N 3.2Å; I480-R483 PolarHBondContact O-N 3.26Å; I480-R483 VanDerWaalsContact O-N 3.11Å; I480-I484 PolarHBondContact O-N 3.37Å; I480-I484 VanDerWaalsContact O-N 3.17Å; I480-V519 HydrophobicContact CD1-CB 3.91Å; I480-V519 HydrophobicContact CD1-CG1 3.49Å; I480-V519 VanDerWaalsContact CD1-CG1 3.49Å; I480-V520 HydrophobicContact CB-CG2 4.21Å; I480-V520 HydrophobicContact CG2-CG2 3.69Å
481L93.1Very high92Very high4 Ų442.9 Ų42.92%0.02121%0.214CC..Hα-helixtrans-61.6-41.6175.2-68177.7000111.9L477 R478 E479 R483 I484 Q485 V520 T534 L535L477-L481 HydrophobicContact CD1-CD1 4.12Å; L477-L481 HydrophobicContact CD1-CG 4.27Å; L477-L481 HydrophobicContact CG-CD1 4.16Å; L477-L481 WeakPolarHBondContact O-CG 3.46Å; L477-L481 PolarHBondContact O-N 2.95Å; R478-L481 PolarHBondContact O-N 3.43Å; E479-L481 VanDerWaalsContact C-N 3.29Å; E479-L481 PolarHBondContact O-N 3.24Å; L481-R483 VanDerWaalsContact C-N 3.29Å; L481-R483 PolarHBondContact O-N 2.71Å; L481-I484 HydrophobicContact CD2-CD1 4.07Å; L481-I484 WeakPolarHBondContact O-CG1 3.36Å; L481-I484 PolarHBondContact O-N 3.38Å; L481-Q485 VanDerWaalsContact O-CG 3.32Å; L481-Q485 WeakPolarHBondContact O-CG 3.29Å; L481-Q485 PolarHBondContact O-OE1 3.02Å; L481-V520 HydrophobicContact CD2-CG2 4.47Å; L481-T534 HydrophobicContact CD1-CG2 4.17Å; L481-L535 HydrophobicContact CD1-CB 4.31Å; L481-L535 HydrophobicContact CD1-CD1 3.92Å; L481-L535 HydrophobicContact CD2-CD1 3.65Å; L481-L535 HydrophobicContact CG-CD1 4.45Å
482N93.4Very high91.7Very high31 Ų3138.9 Ų38.917%0.16619%0.191CC..Hα-helixtrans-61.1-39.7173.3-65-23.6000111.7R478 E479 I480 I484 Q485 F488 N489R478-N482 VanDerWaalsContact O-CG 3.26Å; R478-N482 PolarHBondContact O-N 2.99Å; R478-N482 PolarHBondContact O-ND2 2.96Å; R478-N482 PolarHBondContact O-OD1 2.58Å; E479-N482 WeakPolarHBondContact O-CB 3.25Å; E479-N482 PolarHBondContact O-N 3.48Å; E479-N482 VanDerWaalsContact O-N 3.14Å; E479-N482 PolarHBondContact OE2-ND2 3.04Å; E479-N482 VanDerWaalsContact OE2-ND2 3.16Å; I480-N482 VanDerWaalsContact C-N 3.34Å; I480-N482 PolarHBondContact O-N 3.2Å; N482-I484 VanDerWaalsContact C-N 3.35Å; N482-I484 PolarHBondContact O-N 3.02Å; N482-Q485 PolarHBondContact O-N 3.22Å; N482-F488 HydrophobicContact CB-CD2 3.81Å; N482-F488 HydrophobicContact CB-CE2 4.2Å; N482-F488 HydrophobicContact CB-CG 4.33Å; N482-F488 VanDerWaalsContact OD1-CE2 3.3Å; N482-F488 WeakPolarHBondContact OD1-CE2 3.23Å; N482-N489 PolarHBondContact O-ND2 3.42Å
483R91.9Very high91.6Very high22 Ų2238 Ų388%0.08318%0.183CC..Hα-helixtrans-68.3-26.4-176.5-69.5-69.3-70.3167.2-0.5114.5F429 E479 I480 L481 N489 Q492 Y512F429-R483 HydrophobicContact CD1-CG 3.74Å; F429-R483 HydrophobicContact CE1-CG 3.89Å; E479-R483 WeakPolarHBondContact O-CG 3.32Å; E479-R483 PolarHBondContact O-N 3.33Å; I480-R483 PolarHBondContact O-N 3.26Å; I480-R483 VanDerWaalsContact O-N 3.11Å; L481-R483 VanDerWaalsContact C-N 3.29Å; L481-R483 PolarHBondContact O-N 2.71Å; R483-N489 WeakPolarHBondContact CA-ND2 3.44Å; R483-N489 PolarHBondContact NH1-OD1 3.33Å; R483-Q492 VanDerWaalsContact NH2-OE1 3.08Å; R483-Y512 PolarHBondContact O-OH 2.85Å
484I92.8Very high91.4Very high0 Ų042.8 Ų42.80%021%0.205CC..THydrogen-bonded Turntrans-88.7-5.2176.464.7169.8000113.3I480 L481 N482 Y512 L513 L517I480-I484 PolarHBondContact O-N 3.37Å; I480-I484 VanDerWaalsContact O-N 3.17Å; L481-I484 HydrophobicContact CD2-CD1 4.07Å; L481-I484 WeakPolarHBondContact O-CG1 3.36Å; L481-I484 PolarHBondContact O-N 3.38Å; N482-I484 VanDerWaalsContact C-N 3.35Å; N482-I484 PolarHBondContact O-N 3.02Å; I484-Y512 HydrophobicContact CG2-CE1 4.4Å; I484-L513 HydrophobicContact CB-CD1 3.94Å; I484-L513 HydrophobicContact CD1-CD1 4.06Å; I484-L513 HydrophobicContact CG2-CD1 3.93Å; I484-L517 HydrophobicContact CD1-CD2 3.95Å
485Q93.3Very high91.1Very high2 Ų248 Ų481%0.00923%0.227CC..  trans-100.5127.3-178.1-70.4-176.7-86.400112.1L481 N482 R487 F488 N489 D579L481-Q485 VanDerWaalsContact O-CG 3.32Å; L481-Q485 WeakPolarHBondContact O-CG 3.29Å; L481-Q485 PolarHBondContact O-OE1 3.02Å; N482-Q485 PolarHBondContact O-N 3.22Å; Q485-R487 VanDerWaalsContact C-N 3.27Å; Q485-R487 HydrophobicContact CB-CG 4.16Å; Q485-R487 PolarHBondContact O-N 3.08Å; Q485-F488 HydrophobicContact CB-CD2 4.02Å; Q485-F488 PolarHBondContact O-N 3.06Å; Q485-N489 PolarHBondContact O-N 2.7Å; Q485-D579 VanDerWaalsContact C-OD1 3.23Å; Q485-D579 WeakPolarHBondContact CA-OD1 3.34Å; Q485-D579 WeakPolarHBondContact CB-OD1 3.47Å; Q485-D579 HydrophobicContact CG-CB 4.39Å; Q485-D579 PolarHBondContact NE2-OD2 3Å
486F92Very high90.9Very high5 Ų544.5 Ų44.52%0.02221%0.209CC..Hα-helixtrans-58.9-33.2173.5-73.5-98.8000112.3F488 N489 Q490 L493 E494 W509 C575 R578 D579F486-F488 PolarHBondContact O-N 3.16Å; F486-N489 PolarHBondContact O-N 3.38Å; F486-Q490 WeakPolarHBondContact O-CA 3.36Å; F486-Q490 VanDerWaalsContact O-CB 3.28Å; F486-Q490 WeakPolarHBondContact O-CB 3.06Å; F486-Q490 PolarHBondContact O-N 3.04Å; F486-L493 HydrophobicContact CD1-CB 3.96Å; F486-L493 HydrophobicContact CD1-CD1 4.42Å; F486-L493 HydrophobicContact CD2-CD1 3.95Å; F486-L493 HydrophobicContact CE1-CB 3.56Å; F486-L493 HydrophobicContact CE2-CB 4.26Å; F486-L493 HydrophobicContact CE2-CD1 4.12Å; F486-L493 HydrophobicContact CG-CB 4.46Å; F486-L493 HydrophobicContact CG-CD1 4.1Å; F486-L493 HydrophobicContact CZ-CB 3.72Å; F486-L493 HydrophobicContact CZ-CD1 4.42Å; F486-E494 HydrophobicContact CD1-CG 4.46Å; F486-E494 HydrophobicContact CE1-CG 4.17Å; F486-W509 HydrophobicContact CD2-CH2 4.28Å; F486-W509 AromaticContact CE2-CH2 3.3Å; F486-W509 HydrophobicContact CE2-CH2 3.3Å; F486-W509 AromaticContact CE2-CZ2 3.68Å; F486-W509 HydrophobicContact CE2-CZ2 3.68Å; F486-W509 AromaticContact CE2-CZ3 3.9Å; F486-W509 HydrophobicContact CE2-CZ3 3.9Å; F486-W509 HydrophobicContact CZ-CE3 4.43Å; F486-W509 AromaticContact CZ-CH2 3.75Å; F486-W509 HydrophobicContact CZ-CH2 3.75Å; F486-W509 HydrophobicContact CZ-CZ2 4.17Å; F486-W509 AromaticContact CZ-CZ3 3.87Å; F486-W509 HydrophobicContact CZ-CZ3 3.87Å; F486-C575 HydrophobicContact CB-CB 4.03Å; F486-R578 HydrophobicContact CD2-CB 3.44Å; F486-R578 VanDerWaalsContact CD2-CB 3.44Å; F486-R578 HydrophobicContact CD2-CG 4.44Å; F486-R578 HydrophobicContact CE2-CB 3.6Å; F486-R578 HydrophobicContact CE2-CG 4.31Å; F486-R578 HydrophobicContact CG-CB 4Å; F486-R578 HydrophobicContact CZ-CB 4.28Å; F486-D579 WeakPolarHBondContact CA-OD1 3.06Å; F486-D579 PolarHBondContact N-OD1 3.41Å
487R89.2Confident90.5Very high95 Ų9546.8 Ų46.836%0.35822%0.221SC..Hα-helixtrans-56.5-27.2177.275.517668.8179.6-4.5113.6Q485 E541 N542 D579Q485-R487 VanDerWaalsContact C-N 3.27Å; Q485-R487 HydrophobicContact CB-CG 4.16Å; Q485-R487 PolarHBondContact O-N 3.08Å; R487-E541 IonicContact NH1-OE2 3.7Å; R487-E541 PolarHBondContact NH1-OE2 2.87Å; R487-N542 PolarHBondContact NH2-ND2 3.4Å; R487-N542 PolarHBondContact NH2-OD1 3.13Å; R487-D579 WeakPolarHBondContact CB-OD2 3.45Å; R487-D579 WeakPolarHBondContact CG-OD2 3.49Å; R487-D579 IonicContact CZ-OD2 3.38Å; R487-D579 PolarHBondContact N-OD1 3.47Å; R487-D579 IonicContact NE-OD2 3.97Å; R487-D579 PolarHBondContact NE-OD2 3.32Å; R487-D579 IonicContact NH2-OD2 2.8Å
488F88.6Confident90Very high115 Ų11549.6 Ų49.650%0.50424%0.236SC..Hα-helixtrans-105.9-34.3-179.5-60-62.8000112.6N482 Q485 F486N482-F488 HydrophobicContact CB-CD2 3.81Å; N482-F488 HydrophobicContact CB-CE2 4.2Å; N482-F488 HydrophobicContact CB-CG 4.33Å; N482-F488 VanDerWaalsContact OD1-CE2 3.3Å; N482-F488 WeakPolarHBondContact OD1-CE2 3.23Å; Q485-F488 HydrophobicContact CB-CD2 4.02Å; Q485-F488 PolarHBondContact O-N 3.06Å; F486-F488 PolarHBondContact O-N 3.16Å
489N88.3Confident89.5Confident26 Ų2650.4 Ų50.414%0.13925%0.247CC..Hα-helixtrans-126.123.3-168.6-65.3-81.3000114.3N482 R483 Q485 F486 A491 Q492 L493N482-N489 PolarHBondContact O-ND2 3.42Å; R483-N489 WeakPolarHBondContact CA-ND2 3.44Å; R483-N489 PolarHBondContact NH1-OD1 3.33Å; Q485-N489 PolarHBondContact O-N 2.7Å; F486-N489 PolarHBondContact O-N 3.38Å; N489-A491 VanDerWaalsContact C-N 3.34Å; N489-A491 PolarHBondContact O-N 3.26Å; N489-A491 VanDerWaalsContact O-N 3.11Å; N489-Q492 PolarHBondContact O-N 2.89Å; N489-L493 HydrophobicContact CB-CD1 4.13Å; N489-L493 HydrophobicContact CB-CG 4.07Å; N489-L493 PolarHBondContact O-N 3.34Å; N489-L493 VanDerWaalsContact O-N 3.13Å
490Q88.1Confident88.9Confident32 Ų3252.1 Ų52.115%0.1526%0.261CS..Hα-helixtrans-39.4-55.8-175.2-176172.814.600114.2F486 Q492 L493 E494 R571F486-Q490 WeakPolarHBondContact O-CA 3.36Å; F486-Q490 VanDerWaalsContact O-CB 3.28Å; F486-Q490 WeakPolarHBondContact O-CB 3.06Å; F486-Q490 PolarHBondContact O-N 3.04Å; Q490-Q492 VanDerWaalsContact C-N 3.29Å; Q490-Q492 PolarHBondContact O-N 3.13Å; Q490-L493 PolarHBondContact O-N 2.93Å; Q490-L493 VanDerWaalsContact O-N 3.16Å; Q490-E494 VanDerWaalsContact CG-CD 3.44Å; Q490-E494 HydrophobicContact CG-CG 4.13Å; Q490-E494 VanDerWaalsContact CG-OE1 3.24Å; Q490-E494 WeakPolarHBondContact CG-OE1 3.4Å; Q490-E494 PolarHBondContact NE2-OE1 2.9Å; Q490-E494 WeakPolarHBondContact O-CB 3.42Å; Q490-E494 WeakPolarHBondContact O-CG 3.29Å; Q490-E494 PolarHBondContact O-N 3.45Å; Q490-R571 VanDerWaalsContact CD-NH2 3.29Å
491A86Confident88.4Confident69 Ų6957.4 Ų57.457%0.5729%0.289SS*.Hα-helixtrans-60.3-34.3-174.600000113.9N489 E495N489-A491 VanDerWaalsContact C-N 3.34Å; N489-A491 PolarHBondContact O-N 3.26Å; N489-A491 VanDerWaalsContact O-N 3.11Å; A491-E495 WeakPolarHBondContact O-CG 3.37Å
492Q85Confident87.9Confident46 Ų4659.9 Ų59.922%0.21530%0.302CS..Hα-helixtrans-80.1-35.2178.4-72.5168.325.600111.6R483 N489 Q490 E495R483-Q492 VanDerWaalsContact NH2-OE1 3.08Å; N489-Q492 PolarHBondContact O-N 2.89Å; Q490-Q492 VanDerWaalsContact C-N 3.29Å; Q490-Q492 PolarHBondContact O-N 3.13Å; Q492-E495 PolarHBondContact O-N 3.49Å
493L89.3Confident87.3Confident5 Ų566.8 Ų66.83%0.02634%0.339CS..Hα-helixtrans-78.4-25.5-177.4-58.1-179.4000112.6F486 N489 Q490 E495 L496 W509 Y512F486-L493 HydrophobicContact CD1-CB 3.96Å; F486-L493 HydrophobicContact CD1-CD1 4.42Å; F486-L493 HydrophobicContact CD2-CD1 3.95Å; F486-L493 HydrophobicContact CE1-CB 3.56Å; F486-L493 HydrophobicContact CE2-CB 4.26Å; F486-L493 HydrophobicContact CE2-CD1 4.12Å; F486-L493 HydrophobicContact CG-CB 4.46Å; F486-L493 HydrophobicContact CG-CD1 4.1Å; F486-L493 HydrophobicContact CZ-CB 3.72Å; F486-L493 HydrophobicContact CZ-CD1 4.42Å; N489-L493 HydrophobicContact CB-CD1 4.13Å; N489-L493 HydrophobicContact CB-CG 4.07Å; N489-L493 PolarHBondContact O-N 3.34Å; N489-L493 VanDerWaalsContact O-N 3.13Å; Q490-L493 PolarHBondContact O-N 2.93Å; Q490-L493 VanDerWaalsContact O-N 3.16Å; L493-E495 VanDerWaalsContact C-N 3.32Å; L493-L496 HydrophobicContact CD2-CD1 4.12Å; L493-W509 HydrophobicContact CB-CH2 4.5Å; L493-W509 HydrophobicContact CB-CZ3 3.77Å; L493-W509 HydrophobicContact CD1-CH2 4.15Å; L493-W509 HydrophobicContact CD1-CZ3 4.07Å; L493-W509 HydrophobicContact CD2-CH2 4.48Å; L493-W509 HydrophobicContact CD2-CZ3 3.73Å; L493-W509 HydrophobicContact CG-CZ3 4.01Å; L493-Y512 HydrophobicContact CD2-CD1 4.31Å; L493-Y512 HydrophobicContact CD2-CE1 3.68Å
494E87.9Confident86.6Confident101 Ų10170.3 Ų70.347%0.47236%0.36SS..SBendtrans-75.5-17.7172.6-73.3176.1168.200113.4F486 Q490 L496F486-E494 HydrophobicContact CD1-CG 4.46Å; F486-E494 HydrophobicContact CE1-CG 4.17Å; Q490-E494 VanDerWaalsContact CG-CD 3.44Å; Q490-E494 HydrophobicContact CG-CG 4.13Å; Q490-E494 VanDerWaalsContact CG-OE1 3.24Å; Q490-E494 WeakPolarHBondContact CG-OE1 3.4Å; Q490-E494 PolarHBondContact NE2-OE1 2.9Å; Q490-E494 WeakPolarHBondContact O-CB 3.42Å; Q490-E494 WeakPolarHBondContact O-CG 3.29Å; Q490-E494 PolarHBondContact O-N 3.45Å; E494-L496 VanDerWaalsContact C-N 3.35Å
495E88.4Confident86Confident150 Ų15077.9 Ų77.970%0.70140%0.395SS*.SBendtrans-79.5-18.6175.4-75173.3-177.800112.8A491 Q492 L493A491-E495 WeakPolarHBondContact O-CG 3.37Å; Q492-E495 PolarHBondContact O-N 3.49Å; L493-E495 VanDerWaalsContact C-N 3.32Å
496L89Confident85.6Confident12 Ų1279.9 Ų79.96%0.06340%0.404CS..SBendtrans-74.6133.2-180-68.2170.7000110.8H434 L493 E494 D498 E508 W509 Y512H434-L496 WeakPolarHBondContact CE1-CD2 2.92Å; H434-L496 VanDerWaalsContact ND1-CD2 3.27Å; H434-L496 WeakPolarHBondContact ND1-CD2 3.48Å; L493-L496 HydrophobicContact CD2-CD1 4.12Å; E494-L496 VanDerWaalsContact C-N 3.35Å; L496-D498 PolarHBondContact O-N 3.17Å; L496-E508 HydrophobicContact CD2-CG 3.89Å; L496-E508 WeakPolarHBondContact CD2-OE1 3.44Å; L496-W509 HydrophobicContact CB-CB 4.32Å; L496-W509 HydrophobicContact CB-CE3 4.4Å; L496-W509 HydrophobicContact CD1-CE3 3.64Å; L496-W509 HydrophobicContact CD1-CZ3 4.08Å; L496-Y512 HydrophobicContact CD1-CD1 4.03Å; L496-Y512 HydrophobicContact CD1-CD2 4.24Å; L496-Y512 HydrophobicContact CD1-CG 3.83Å
497D85.7Confident85.4Confident48 Ų4879.9 Ų79.926%0.25741%0.405SS..  trans-68.9130.9176.3-178.342.2000112.2E499 T500 T507 E508 W509D497-E499 PolarHBondContact OD1-N 3.26Å; D497-E499 VanDerWaalsContact OD1-N 3.15Å; D497-T500 WeakPolarHBondContact OD2-CA 3.24Å; D497-T500 WeakPolarHBondContact OD2-CB 3.44Å; D497-T500 WeakPolarHBondContact OD2-CG2 3.47Å; D497-T500 PolarHBondContact OD2-N 3.06Å; D497-T500 PolarHBondContact OD2-OG1 3.42Å; D497-T507 WeakPolarHBondContact O-CB 3.16Å; D497-E508 HydrophobicContact CB-CB 4.09Å; D497-E508 PolarHBondContact N-OE2 3.1Å; D497-E508 WeakPolarHBondContact O-CB 3.27Å; D497-E508 PolarHBondContact O-N 3.07Å; D497-W509 PolarHBondContact O-N 2.92Å
498D84.4Confident85.4Confident61 Ų6179.4 Ų79.433%0.32641%0.406SS..SBendtrans-121.414.5178.9-155.416.7000112.1L496 T507 W509 R578L496-D498 PolarHBondContact O-N 3.17Å; D498-T507 PolarHBondContact OD1-OG1 3.47Å; D498-W509 HydrophobicContact CB-CB 4.14Å; D498-R578 IonicContact OD2-CZ 3.2Å; D498-R578 IonicContact OD2-NH1 3.14Å; D498-R578 PolarHBondContact OD2-NH1 3.23Å; D498-R578 IonicContact OD2-NH2 3.25Å; D498-R578 PolarHBondContact OD2-NH2 3.22Å
499E82.7Confident85.4Confident175 Ų17574.4 Ų74.482%0.81838%0.384SS*.SBendtrans-118-43.2-179.2-63.8-170.2173.300114D497D497-E499 PolarHBondContact OD1-N 3.26Å; D497-E499 VanDerWaalsContact OD1-N 3.15Å
500T84Confident85.4Confident95 Ų9576.5 Ų76.558%0.58339%0.393SS*.  trans-85.6138.2-176.276.10000111.6D497 T507D497-T500 WeakPolarHBondContact OD2-CA 3.24Å; D497-T500 WeakPolarHBondContact OD2-CB 3.44Å; D497-T500 WeakPolarHBondContact OD2-CG2 3.47Å; D497-T500 PolarHBondContact OD2-N 3.06Å; D497-T500 PolarHBondContact OD2-OG1 3.42Å; T500-T507 WeakPolarHBondContact O-CA 3.23Å
501L83.6Confident85.5Confident111 Ų11179.1 Ų79.158%0.58140%0.402SS*.  trans-98133.4179-59.7178.3000110Q506 T507L501-Q506 WeakPolarHBondContact CA-O 3.49Å; L501-T507 HydrophobicContact CD2-CG2 3.83Å
502D83.2Confident85.8Confident56 Ų5675.9 Ų75.930%0.29938%0.375SS..  trans-77.8-176.9171.371.50.7000112.5D504 Q505 Q506 R511D502-D504 PolarHBondContact O-N 2.86Å; D502-D504 VanDerWaalsContact O-N 3.13Å; D502-D504 WeakPolarHBondContact OD1-CA 3.45Å; D502-D504 WeakPolarHBondContact OD1-CB 3.35Å; D502-D504 PolarHBondContact OD1-N 3.22Å; D502-Q505 PolarHBondContact O-N 2.97Å; D502-Q505 PolarHBondContact OD1-N 3.15Å; D502-Q506 VanDerWaalsContact CG-O 3.29Å; D502-Q506 PolarHBondContact N-O 2.98Å; D502-Q506 PolarHBondContact OD1-N 3.09Å; D502-R511 IonicContact OD2-NH1 3.39Å
503D80.6Confident86.1Confident177 Ų17773.8 Ų73.895%0.94737%0.365SS*.THydrogen-bonded Turntrans-59.4-22178.1-68.9-27.9000112.9Q505D503-Q505 VanDerWaalsContact C-N 3.34Å
504D77Confident86.2Confident96 Ų9676.7 Ų76.751%0.51338%0.376SS..THydrogen-bonded Turntrans-90.97.5176.8-71.1-32000112.7D502 Q506D502-D504 PolarHBondContact O-N 2.86Å; D502-D504 VanDerWaalsContact O-N 3.13Å; D502-D504 WeakPolarHBondContact OD1-CA 3.45Å; D502-D504 WeakPolarHBondContact OD1-CB 3.35Å; D502-D504 PolarHBondContact OD1-N 3.22Å; D504-Q506 VanDerWaalsContact C-N 3.33Å
505Q79.8Confident86.3Confident158 Ų15873.2 Ų73.274%0.73836%0.36SS*.SBendtrans59.537.2-174.4-55.4-1793.300113.5D502 D503D502-Q505 PolarHBondContact O-N 2.97Å; D502-Q505 PolarHBondContact OD1-N 3.15Å; D503-Q505 VanDerWaalsContact C-N 3.34Å
506Q84.6Confident86.6Confident45 Ų4566.1 Ų66.121%0.2133%0.326CS..  trans-126.1148.9178.9-63.7-178.513.300111.9L501 D502 D504 Q510L501-Q506 WeakPolarHBondContact CA-O 3.49Å; D502-Q506 VanDerWaalsContact CG-O 3.29Å; D502-Q506 PolarHBondContact N-O 2.98Å; D502-Q506 PolarHBondContact OD1-N 3.09Å; D504-Q506 VanDerWaalsContact C-N 3.33Å; Q506-Q510 HydrophobicContact CB-CB 4.24Å
507T88.1Confident86.7Confident4 Ų466 Ų663%0.02533%0.325CS..  trans-79.5161.8171.967.90000111.2D497 D498 T500 L501 W509 Q510 R511D497-T507 WeakPolarHBondContact O-CB 3.16Å; D498-T507 PolarHBondContact OD1-OG1 3.47Å; T500-T507 WeakPolarHBondContact O-CA 3.23Å; L501-T507 HydrophobicContact CD2-CG2 3.83Å; T507-W509 VanDerWaalsContact C-N 3.26Å; T507-W509 PolarHBondContact O-N 3.49Å; T507-Q510 WeakPolarHBondContact O-CB 3.2Å; T507-Q510 PolarHBondContact O-N 3.04Å; T507-Q510 VanDerWaalsContact O-N 3.09Å; T507-Q510 WeakPolarHBondContact OG1-CB 3.38Å; T507-Q510 WeakPolarHBondContact OG1-CG 3.42Å; T507-Q510 PolarHBondContact OG1-N 3.41Å; T507-Q510 VanDerWaalsContact OG1-N 3.17Å; T507-R511 PolarHBondContact O-N 3.19Å
508E88.3Confident87Confident85 Ų8567.5 Ų67.540%0.39733%0.331SS..Hα-helixtrans-58-42.5175.4-166.6-166.8176.600111.1H434 L496 D497 Q510 R511 Y512H434-E508 IonicContact ND1-OE1 2.97Å; L496-E508 HydrophobicContact CD2-CG 3.89Å; L496-E508 WeakPolarHBondContact CD2-OE1 3.44Å; D497-E508 HydrophobicContact CB-CB 4.09Å; D497-E508 PolarHBondContact N-OE2 3.1Å; D497-E508 WeakPolarHBondContact O-CB 3.27Å; D497-E508 PolarHBondContact O-N 3.07Å; E508-Q510 PolarHBondContact O-N 2.97Å; E508-R511 PolarHBondContact O-N 3Å; E508-Y512 WeakPolarHBondContact O-CB 3.44Å; E508-Y512 PolarHBondContact O-N 3.37Å
509W89Confident87.5Confident10 Ų1064.6 Ų64.64%0.03832%0.316CS..Hα-helixtrans-56.3-47.8172.1169.2-110.4000112.5F486 L493 L496 D497 D498 T507 R511 Y512 L513 S582F486-W509 HydrophobicContact CD2-CH2 4.28Å; F486-W509 AromaticContact CE2-CH2 3.3Å; F486-W509 HydrophobicContact CE2-CH2 3.3Å; F486-W509 AromaticContact CE2-CZ2 3.68Å; F486-W509 HydrophobicContact CE2-CZ2 3.68Å; F486-W509 AromaticContact CE2-CZ3 3.9Å; F486-W509 HydrophobicContact CE2-CZ3 3.9Å; F486-W509 HydrophobicContact CZ-CE3 4.43Å; F486-W509 AromaticContact CZ-CH2 3.75Å; F486-W509 HydrophobicContact CZ-CH2 3.75Å; F486-W509 HydrophobicContact CZ-CZ2 4.17Å; F486-W509 AromaticContact CZ-CZ3 3.87Å; F486-W509 HydrophobicContact CZ-CZ3 3.87Å; L493-W509 HydrophobicContact CB-CH2 4.5Å; L493-W509 HydrophobicContact CB-CZ3 3.77Å; L493-W509 HydrophobicContact CD1-CH2 4.15Å; L493-W509 HydrophobicContact CD1-CZ3 4.07Å; L493-W509 HydrophobicContact CD2-CH2 4.48Å; L493-W509 HydrophobicContact CD2-CZ3 3.73Å; L493-W509 HydrophobicContact CG-CZ3 4.01Å; L496-W509 HydrophobicContact CB-CB 4.32Å; L496-W509 HydrophobicContact CB-CE3 4.4Å; L496-W509 HydrophobicContact CD1-CE3 3.64Å; L496-W509 HydrophobicContact CD1-CZ3 4.08Å; D497-W509 PolarHBondContact O-N 2.92Å; D498-W509 HydrophobicContact CB-CB 4.14Å; T507-W509 VanDerWaalsContact C-N 3.26Å; T507-W509 PolarHBondContact O-N 3.49Å; W509-R511 PolarHBondContact O-N 2.92Å; W509-Y512 PolarHBondContact O-N 3.43Å; W509-L513 WeakPolarHBondContact O-CB 3.24Å; W509-L513 PolarHBondContact O-N 2.78Å; W509-S582 WeakPolarHBondContact CZ2-OG 3.11Å
510Q88.7Confident87.9Confident71 Ų7156.5 Ų56.533%0.33228%0.278SS..Hα-helixtrans-64.2-40.8179.4-73.3167.513.200111.8Q506 T507 E508 L513 R514Q506-Q510 HydrophobicContact CB-CB 4.24Å; T507-Q510 WeakPolarHBondContact O-CB 3.2Å; T507-Q510 PolarHBondContact O-N 3.04Å; T507-Q510 VanDerWaalsContact O-N 3.09Å; T507-Q510 WeakPolarHBondContact OG1-CB 3.38Å; T507-Q510 WeakPolarHBondContact OG1-CG 3.42Å; T507-Q510 PolarHBondContact OG1-N 3.41Å; T507-Q510 VanDerWaalsContact OG1-N 3.17Å; E508-Q510 PolarHBondContact O-N 2.97Å; Q510-L513 PolarHBondContact O-N 3.44Å; Q510-R514 VanDerWaalsContact O-CB 3.25Å; Q510-R514 WeakPolarHBondContact O-CB 3.37Å; Q510-R514 PolarHBondContact O-N 3.09Å
511R90.1Very high88.2Confident87 Ų8752.9 Ų52.933%0.32826%0.258SS..Hα-helixtrans-61.1-47.5175.3-174.8-178.1179.995.41.3111.3D502 T507 E508 W509 L513 R514 Q515D502-R511 IonicContact OD2-NH1 3.39Å; T507-R511 PolarHBondContact O-N 3.19Å; E508-R511 PolarHBondContact O-N 3Å; W509-R511 PolarHBondContact O-N 2.92Å; R511-L513 PolarHBondContact O-N 3.1Å; R511-R514 PolarHBondContact O-N 3.17Å; R511-Q515 PolarHBondContact O-N 3.47Å
512Y92.3Very high88.6Confident1 Ų149.9 Ų49.90%0.00424%0.24CC..Hα-helixtrans-58.8-46.6177.6179-88.7000112.4Y437 F438 R483 I484 L493 L496 E508 W509 S516Y437-Y512 HydrophobicContact CD1-CD2 4.44Å; Y437-Y512 AromaticContact CD1-CE2 3.75Å; Y437-Y512 HydrophobicContact CD1-CE2 3.75Å; Y437-Y512 HydrophobicContact CE1-CD2 4.39Å; Y437-Y512 AromaticContact CE1-CE2 3.64Å; Y437-Y512 HydrophobicContact CE1-CE2 3.64Å; Y437-Y512 AromaticContact CE1-CZ 3.94Å; F438-Y512 AromaticContact CE1-CD2 3.51Å; F438-Y512 HydrophobicContact CE1-CD2 3.51Å; F438-Y512 HydrophobicContact CE1-CE2 4.23Å; F438-Y512 HydrophobicContact CE1-CG 4.19Å; F438-Y512 AromaticContact CZ-CD2 3.69Å; F438-Y512 HydrophobicContact CZ-CD2 3.69Å; F438-Y512 HydrophobicContact CZ-CG 4.25Å; R483-Y512 PolarHBondContact O-OH 2.85Å; I484-Y512 HydrophobicContact CG2-CE1 4.4Å; L493-Y512 HydrophobicContact CD2-CD1 4.31Å; L493-Y512 HydrophobicContact CD2-CE1 3.68Å; L496-Y512 HydrophobicContact CD1-CD1 4.03Å; L496-Y512 HydrophobicContact CD1-CD2 4.24Å; L496-Y512 HydrophobicContact CD1-CG 3.83Å; E508-Y512 WeakPolarHBondContact O-CB 3.44Å; E508-Y512 PolarHBondContact O-N 3.37Å; W509-Y512 PolarHBondContact O-N 3.43Å; Y512-S516 WeakPolarHBondContact O-CB 3.48Å; Y512-S516 PolarHBondContact O-N 3.15Å; Y512-S516 PolarHBondContact O-OG 3.1Å
513L91.4Very high89Confident2 Ų247.3 Ų47.31%0.0123%0.226CC..Hα-helixtrans-65.2-45.8178.1-177.660.7000111.1I484 W509 Q510 R511 Q515 S516 L517 Q585I484-L513 HydrophobicContact CB-CD1 3.94Å; I484-L513 HydrophobicContact CD1-CD1 4.06Å; I484-L513 HydrophobicContact CG2-CD1 3.93Å; W509-L513 WeakPolarHBondContact O-CB 3.24Å; W509-L513 PolarHBondContact O-N 2.78Å; Q510-L513 PolarHBondContact O-N 3.44Å; R511-L513 PolarHBondContact O-N 3.1Å; L513-Q515 PolarHBondContact O-N 3.32Å; L513-S516 PolarHBondContact O-N 3.24Å; L513-L517 HydrophobicContact CD1-CD1 3.88Å; L513-L517 HydrophobicContact CD1-CD2 4.48Å; L513-L517 HydrophobicContact CD1-CG 3.98Å; L513-L517 HydrophobicContact CG-CD1 3.85Å; L513-L517 HydrophobicContact CG-CG 4.3Å; L513-L517 WeakPolarHBondContact O-CB 3.45Å; L513-L517 VanDerWaalsContact O-CG 3.26Å; L513-L517 WeakPolarHBondContact O-CG 3.28Å; L513-L517 PolarHBondContact O-N 3.48Å; L513-Q585 HydrophobicContact CD2-CB 4.4Å; L513-Q585 VanDerWaalsContact CD2-OE1 3.3Å
514R90.8Very high89.4Confident66 Ų6638.9 Ų38.925%0.24918%0.181CC..Hα-helixtrans-57.3-52.3179.7-171.9-175.888.2-167.65.4111.7Q510 R511 S516 L517 E518Q510-R514 VanDerWaalsContact O-CB 3.25Å; Q510-R514 WeakPolarHBondContact O-CB 3.37Å; Q510-R514 PolarHBondContact O-N 3.09Å; R511-R514 PolarHBondContact O-N 3.17Å; R514-S516 VanDerWaalsContact C-N 3.31Å; R514-S516 PolarHBondContact O-N 3.43Å; R514-L517 PolarHBondContact O-N 3.06Å; R514-E518 IonicContact NE-OE1 3.17Å; R514-E518 WeakPolarHBondContact O-CG 3.36Å; R514-E518 PolarHBondContact O-N 3.37Å
515Q91.2Very high89.9Confident28 Ų2838.1 Ų38.113%0.13118%0.175CC..Hα-helixtrans-65-36-177-164.1168.69.300112.1F438 L441 D442 R511 L513F438-Q515 HydrophobicContact CD1-CB 4.5Å; F438-Q515 HydrophobicContact CD1-CG 4.41Å; L441-Q515 HydrophobicContact CD1-CG 4.12Å; D442-Q515 PolarHBondContact OD1-NE2 3.17Å; R511-Q515 PolarHBondContact O-N 3.47Å; L513-Q515 PolarHBondContact O-N 3.32Å
516S94.1Very high90.3Very high0 Ų031.1 Ų31.10%014%0.142CC..Hα-helixtrans-65.1-44.7173.1-63.60000111.8Y437 Y512 L513 R514 E518 V519 V520Y437-S516 PolarHBondContact OH-OG 3.39Å; Y512-S516 WeakPolarHBondContact O-CB 3.48Å; Y512-S516 PolarHBondContact O-N 3.15Å; Y512-S516 PolarHBondContact O-OG 3.1Å; L513-S516 PolarHBondContact O-N 3.24Å; R514-S516 VanDerWaalsContact C-N 3.31Å; R514-S516 PolarHBondContact O-N 3.43Å; S516-E518 PolarHBondContact O-N 2.86Å; S516-V519 PolarHBondContact O-N 2.91Å; S516-V520 PolarHBondContact O-N 2.89Å
517L91.8Very high90.5Very high9 Ų929.6 Ų29.65%0.04714%0.135CC..Hα-helixtrans-70.6-28.2-179.3-68.9-179.1000113.6I484 L513 R514 V519 V520 A521 Q585 A586I484-L517 HydrophobicContact CD1-CD2 3.95Å; L513-L517 HydrophobicContact CD1-CD1 3.88Å; L513-L517 HydrophobicContact CD1-CD2 4.48Å; L513-L517 HydrophobicContact CD1-CG 3.98Å; L513-L517 HydrophobicContact CG-CD1 3.85Å; L513-L517 HydrophobicContact CG-CG 4.3Å; L513-L517 WeakPolarHBondContact O-CB 3.45Å; L513-L517 VanDerWaalsContact O-CG 3.26Å; L513-L517 WeakPolarHBondContact O-CG 3.28Å; L513-L517 PolarHBondContact O-N 3.48Å; R514-L517 PolarHBondContact O-N 3.06Å; L517-V519 VanDerWaalsContact C-N 3.32Å; L517-V519 PolarHBondContact O-N 3.38Å; L517-V520 WeakPolarHBondContact O-CB 3.25Å; L517-V520 PolarHBondContact O-N 3.5Å; L517-A521 PolarHBondContact O-N 3.17Å; L517-Q585 HydrophobicContact CD1-CB 4.3Å; L517-A586 HydrophobicContact CD1-CB 4.33Å; L517-A586 HydrophobicContact CD2-CB 3.47Å; L517-A586 VanDerWaalsContact CD2-CB 3.47Å
518E91.9Very high90.4Very high80 Ų8030.3 Ų30.337%0.37414%0.14SC..Hα-helixtrans-60.8-41.1173.5-77.7173.1-162.600111.8R514 S516 A521 K522R514-E518 IonicContact NE-OE1 3.17Å; R514-E518 WeakPolarHBondContact O-CG 3.36Å; R514-E518 PolarHBondContact O-N 3.37Å; S516-E518 PolarHBondContact O-N 2.86Å; E518-A521 PolarHBondContact O-N 3.03Å; E518-K522 WeakPolarHBondContact O-CG 3.42Å; E518-K522 PolarHBondContact O-N 3.06Å; E518-K522 VanDerWaalsContact O-N 3.11Å
519V93.5Very high90.3Very high1 Ų129.7 Ų29.71%0.00615%0.145CC..Hα-helixtrans-67.6-40.2174.9179.80000110.9L441 W444 L448 L476 I480 S516 L517 A521 K522 V523L441-V519 HydrophobicContact CB-CG2 4.06Å; L441-V519 HydrophobicContact CD2-CG2 4.13Å; L441-V519 HydrophobicContact CG-CG2 4.49Å; W444-V519 HydrophobicContact CB-CG1 4.4Å; L448-V519 HydrophobicContact CD1-CG1 3.85Å; L476-V519 HydrophobicContact CD2-CG1 4.13Å; I480-V519 HydrophobicContact CD1-CB 3.91Å; I480-V519 HydrophobicContact CD1-CG1 3.49Å; I480-V519 VanDerWaalsContact CD1-CG1 3.49Å; S516-V519 PolarHBondContact O-N 2.91Å; L517-V519 VanDerWaalsContact C-N 3.32Å; L517-V519 PolarHBondContact O-N 3.38Å; V519-A521 VanDerWaalsContact C-N 3.33Å; V519-A521 PolarHBondContact O-N 3.11Å; V519-K522 PolarHBondContact O-N 3.08Å; V519-V523 WeakPolarHBondContact O-CG2 3.3Å; V519-V523 PolarHBondContact O-N 3.45Å
520V92.6Very high90.3Very high4 Ų432.3 Ų32.32%0.02416%0.158CC..Hα-helixtrans-57.9-44.9174170.30000111.4L477 I480 L481 S516 L517 V523 M524L477-V520 HydrophobicContact CD1-CB 4.16Å; L477-V520 HydrophobicContact CD1-CG1 3.58Å; L477-V520 HydrophobicContact CD1-CG2 3.95Å; I480-V520 HydrophobicContact CB-CG2 4.21Å; I480-V520 HydrophobicContact CG2-CG2 3.69Å; L481-V520 HydrophobicContact CD2-CG2 4.47Å; S516-V520 PolarHBondContact O-N 2.89Å; L517-V520 WeakPolarHBondContact O-CB 3.25Å; L517-V520 PolarHBondContact O-N 3.5Å; V520-V523 PolarHBondContact O-N 3.1Å; V520-M524 PolarHBondContact O-N 3.4Å
521A90Very high90.3Very high19 Ų1929.1 Ų29.116%0.15714%0.144CC..Hα-helixtrans-61.7-46178.200000111.8L517 E518 V519 V523 M524 E525L517-A521 PolarHBondContact O-N 3.17Å; E518-A521 PolarHBondContact O-N 3.03Å; V519-A521 VanDerWaalsContact C-N 3.33Å; V519-A521 PolarHBondContact O-N 3.11Å; A521-V523 VanDerWaalsContact C-N 3.33Å; A521-V523 PolarHBondContact O-N 2.51Å; A521-M524 WeakPolarHBondContact O-CB 3.25Å; A521-M524 PolarHBondContact O-N 3.43Å; A521-M524 VanDerWaalsContact O-N 3.07Å; A521-E525 PolarHBondContact O-N 2.94Å
522K91.6Very high90.2Very high49 Ų4926.5 Ų26.521%0.21313%0.134CC..Hα-helixtrans-61.2-39.2175.7-71.4-173.9179.7-164.70112.7L448 D449 E518 V519 M524 E525L448-K522 HydrophobicContact CB-CB 4.11Å; L448-K522 HydrophobicContact CB-CD 4.26Å; L448-K522 HydrophobicContact CD1-CB 3.7Å; L448-K522 HydrophobicContact CD1-CD 4.43Å; L448-K522 HydrophobicContact CG-CB 4.48Å; D449-K522 VanDerWaalsContact OD1-CE 3.32Å; D449-K522 WeakPolarHBondContact OD1-CE 3.12Å; D449-K522 IonicContact OD1-NZ 3.27Å; D449-K522 PolarHBondContact OD1-NZ 3.33Å; D449-K522 IonicContact OD2-NZ 2.65Å; D449-K522 PolarHBondContact OD2-NZ 3.29Å; E518-K522 WeakPolarHBondContact O-CG 3.42Å; E518-K522 PolarHBondContact O-N 3.06Å; E518-K522 VanDerWaalsContact O-N 3.11Å; V519-K522 PolarHBondContact O-N 3.08Å; K522-M524 VanDerWaalsContact C-N 3.32Å; K522-E525 PolarHBondContact O-N 2.89Å
523V92.8Very high90.1Very high1 Ų129.7 Ų29.71%0.00616%0.157CC..Hα-helixtrans-65.6-36.4174.11760000111.2L448 L473 L476 L477 V519 V520 A521 L526 L527L448-V523 HydrophobicContact CD1-CG2 3.85Å; L448-V523 HydrophobicContact CD2-CG2 3.97Å; L473-V523 HydrophobicContact CB-CG1 4.21Å; L473-V523 HydrophobicContact CD2-CG2 4.49Å; L476-V523 HydrophobicContact CD2-CG2 4.13Å; L477-V523 HydrophobicContact CB-CG1 4.22Å; V519-V523 WeakPolarHBondContact O-CG2 3.3Å; V519-V523 PolarHBondContact O-N 3.45Å; V520-V523 PolarHBondContact O-N 3.1Å; A521-V523 VanDerWaalsContact C-N 3.33Å; A521-V523 PolarHBondContact O-N 2.51Å; V523-L526 PolarHBondContact O-N 2.88Å; V523-L527 PolarHBondContact O-N 3.33Å
524M87.3Confident90.1Very high1 Ų131.1 Ų31.11%0.00517%0.166CC..Hα-helixtrans-66.7-38.1176.1-168.9-168.4-157.800112.9V520 A521 K522 L526 L527 P528 A531 L590 H593 F594V520-M524 PolarHBondContact O-N 3.4Å; A521-M524 WeakPolarHBondContact O-CB 3.25Å; A521-M524 PolarHBondContact O-N 3.43Å; A521-M524 VanDerWaalsContact O-N 3.07Å; K522-M524 VanDerWaalsContact C-N 3.32Å; M524-L526 PolarHBondContact O-N 2.85Å; M524-L527 PolarHBondContact O-N 2.98Å; M524-P528 VanDerWaalsContact O-CA 3.26Å; M524-P528 WeakPolarHBondContact O-CA 3.45Å; M524-P528 WeakPolarHBondContact O-CB 3.49Å; M524-P528 WeakPolarHBondContact O-CD 3.45Å; M524-P528 VanDerWaalsContact O-N 3.15Å; M524-A531 HydrophobicContact CB-CB 3.99Å; M524-A531 HydrophobicContact CG-CB 3.89Å; M524-L590 HydrophobicContact CB-CD2 4.45Å; M524-L590 HydrophobicContact CE-CB 4.13Å; M524-L590 HydrophobicContact CE-CD1 3.81Å; M524-L590 HydrophobicContact CE-CG 4.38Å; M524-L590 HydrophobicContact SD-CB 3.73Å; M524-L590 HydrophobicContact SD-CD1 3.64Å; M524-L590 HydrophobicContact SD-CD2 3.46Å; M524-L590 WeakPolarHBondContact SD-CD2 3.47Å; M524-L590 HydrophobicContact SD-CG 3.73Å; M524-H593 HydrophobicContact CE-CB 4.41Å; M524-H593 HydrophobicContact SD-CB 3.77Å; M524-F594 HydrophobicContact CE-CE1 4.33Å; M524-F594 HydrophobicContact CE-CE2 3.94Å; M524-F594 HydrophobicContact CE-CZ 3.63Å
525E87.8Confident90.2Very high80 Ų8028.3 Ų28.337%0.37416%0.156SC..Hα-helixtrans-54.2-38173.9-169.6-172.4169.500110.5T452 K456 A521 K522T452-E525 WeakPolarHBondContact CG2-OE1 3.42Å; K456-E525 IonicContact NZ-OE1 3.45Å; K456-E525 PolarHBondContact NZ-OE1 3.01Å; A521-E525 PolarHBondContact O-N 2.94Å; K522-E525 PolarHBondContact O-N 2.89Å
526L88.9Confident90.2Very high10 Ų1029 Ų295%0.05216%0.158CC..Hα-helixtrans-82.9-46.8-179.2-66169.2000113.8L448 L451 T452 I455 L466 L473 V523 M524 P528L448-L526 HydrophobicContact CB-CD1 4.49Å; L448-L526 HydrophobicContact CD2-CD1 3.67Å; L451-L526 HydrophobicContact CB-CD1 4.42Å; L451-L526 HydrophobicContact CD2-CD1 3.88Å; L451-L526 HydrophobicContact CG-CD1 4.2Å; L451-L526 HydrophobicContact CG-CD2 4.2Å; T452-L526 WeakPolarHBondContact OG1-CD2 3.23Å; I455-L526 HydrophobicContact CD1-CD2 3.45Å; I455-L526 VanDerWaalsContact CD1-CD2 3.45Å; L466-L526 HydrophobicContact CD2-CB 4.4Å; L466-L526 HydrophobicContact CD2-CD2 4.49Å; L473-L526 HydrophobicContact CD1-CD1 4.27Å; V523-L526 PolarHBondContact O-N 2.88Å; M524-L526 PolarHBondContact O-N 2.85Å; L526-P528 VanDerWaalsContact C-CD 3.45Å; L526-P528 WeakPolarHBondContact O-CD 3.42Å
527L88.8Confident90.2Very high13 Ų1331.9 Ų31.97%0.06818%0.177CC..SBendtrans-12863.7-172.4-65.2179.4000112.6L466 K470 L473 V474 V523 M524 S529 H530 A531L466-L527 HydrophobicContact CD2-CD2 4.13Å; K470-L527 HydrophobicContact CG-CD1 4.29Å; K470-L527 HydrophobicContact CG-CD2 4.49Å; L473-L527 HydrophobicContact CB-CD1 3.54Å; L473-L527 HydrophobicContact CD1-CD1 3.78Å; L473-L527 HydrophobicContact CD1-CG 4.23Å; L473-L527 HydrophobicContact CG-CD1 4.29Å; V474-L527 HydrophobicContact CG2-CD1 4.2Å; V523-L527 PolarHBondContact O-N 3.33Å; M524-L527 PolarHBondContact O-N 2.98Å; L527-S529 PolarHBondContact O-N 3.35Å; L527-H530 HydrophobicContact CB-CB 4.36Å; L527-H530 PolarHBondContact O-N 3.19Å; L527-A531 WeakPolarHBondContact O-CB 3.39Å; L527-A531 PolarHBondContact O-N 3.03Å
528P86.1Confident90.2Very high20 Ų2033 Ų3313%0.1319%0.185CC..Hα-helixtrans-62.4-49.9-168.225.2-39.1000115.2M524 L526 H530 A531 F532M524-P528 VanDerWaalsContact O-CA 3.26Å; M524-P528 WeakPolarHBondContact O-CA 3.45Å; M524-P528 WeakPolarHBondContact O-CB 3.49Å; M524-P528 WeakPolarHBondContact O-CD 3.45Å; M524-P528 VanDerWaalsContact O-N 3.15Å; L526-P528 VanDerWaalsContact C-CD 3.45Å; L526-P528 WeakPolarHBondContact O-CD 3.42Å; P528-H530 VanDerWaalsContact C-N 3.3Å; P528-H530 PolarHBondContact O-N 2.98Å; P528-A531 PolarHBondContact O-N 3.26Å; P528-F532 WeakPolarHBondContact O-CB 3.25Å; P528-F532 PolarHBondContact O-N 2.89Å
529S85.5Confident90.3Very high72 Ų7229.3 Ų29.350%0.50317%0.167SC..Hα-helixtrans-65.5-36.4-178-49.10000111.6L527 S533L527-S529 PolarHBondContact O-N 3.35Å; S529-S533 WeakPolarHBondContact O-CB 3.35Å; S529-S533 PolarHBondContact O-N 2.89Å; S529-S533 PolarHBondContact O-OG 3.01Å
530H88.5Confident90.3Very high65 Ų6530.7 Ų30.730%0.30117%0.174SC..Hα-helixtrans-70.8-41.6177.1-64.382.3000110.7K470 V474 L527 P528 S533 T534K470-H530 VanDerWaalsContact CE-CD2 3.49Å; K470-H530 WeakPolarHBondContact CE-CD2 3.37Å; K470-H530 WeakPolarHBondContact CE-CE1 3.42Å; K470-H530 WeakPolarHBondContact CE-NE2 3.41Å; K470-H530 PolarHBondContact NZ-CE1 2.87Å; K470-H530 PolarHBondContact NZ-NE2 3.12Å; V474-H530 HydrophobicContact CG2-CB 3.93Å; L527-H530 HydrophobicContact CB-CB 4.36Å; L527-H530 PolarHBondContact O-N 3.19Å; P528-H530 VanDerWaalsContact C-N 3.3Å; P528-H530 PolarHBondContact O-N 2.98Å; H530-S533 WeakPolarHBondContact CA-OG 3.45Å; H530-S533 PolarHBondContact O-N 3.41Å; H530-S533 PolarHBondContact O-OG 3.26Å; H530-T534 WeakPolarHBondContact O-CB 3.18Å; H530-T534 PolarHBondContact O-N 2.93Å; H530-T534 PolarHBondContact O-OG1 3.45Å
531A88.6Confident90.4Very high4 Ų435.7 Ų35.73%0.03320%0.197CC..Hα-helixtrans-61.1-46176.600000112L477 M524 L527 P528 T534 L535L477-A531 VanDerWaalsContact CD2-CA 3.41Å; L477-A531 HydrophobicContact CD2-CB 3.77Å; M524-A531 HydrophobicContact CB-CB 3.99Å; M524-A531 HydrophobicContact CG-CB 3.89Å; L527-A531 WeakPolarHBondContact O-CB 3.39Å; L527-A531 PolarHBondContact O-N 3.03Å; P528-A531 PolarHBondContact O-N 3.26Å; A531-T534 PolarHBondContact O-N 2.8Å; A531-L535 WeakPolarHBondContact O-CB 3.39Å; A531-L535 PolarHBondContact O-N 3.21Å
532F88.4Confident90.5Very high31 Ų3134.8 Ų34.814%0.13619%0.189CC..Hα-helixtrans-59.8-49.1173.6-174.4-101.4000112.2P528 T534 L535 F536 F594 D605 V609P528-F532 WeakPolarHBondContact O-CB 3.25Å; P528-F532 PolarHBondContact O-N 2.89Å; F532-T534 PolarHBondContact O-N 3.07Å; F532-T534 VanDerWaalsContact O-N 3.12Å; F532-L535 PolarHBondContact O-N 3.26Å; F532-F536 HydrophobicContact CD1-CB 4.46Å; F532-F536 HydrophobicContact CD2-CB 4.32Å; F532-F536 HydrophobicContact CE1-CB 4.14Å; F532-F536 HydrophobicContact CE1-CD1 4.36Å; F532-F536 HydrophobicContact CE1-CG 4.18Å; F532-F536 HydrophobicContact CE2-CB 3.99Å; F532-F536 AromaticContact CE2-CD2 3.96Å; F532-F536 HydrophobicContact CE2-CD2 3.96Å; F532-F536 HydrophobicContact CE2-CG 4.05Å; F532-F536 HydrophobicContact CZ-CB 3.89Å; F532-F536 HydrophobicContact CZ-CD1 4.11Å; F532-F536 AromaticContact CZ-CD2 3.84Å; F532-F536 HydrophobicContact CZ-CD2 3.84Å; F532-F536 HydrophobicContact CZ-CE2 4.39Å; F532-F536 AromaticContact CZ-CG 3.67Å; F532-F536 HydrophobicContact CZ-CG 3.67Å; F532-F536 VanDerWaalsContact O-CB 3.29Å; F532-F536 WeakPolarHBondContact O-CB 3.47Å; F532-F536 PolarHBondContact O-N 3.31Å; F532-F594 HydrophobicContact CD2-CZ 4.12Å; F532-F594 HydrophobicContact CE2-CZ 4.48Å; F532-D605 HydrophobicContact CD1-CB 4.18Å; F532-D605 HydrophobicContact CD2-CB 4.3Å; F532-D605 HydrophobicContact CE1-CB 3.89Å; F532-D605 HydrophobicContact CE2-CB 4.02Å; F532-D605 HydrophobicContact CG-CB 4.37Å; F532-D605 HydrophobicContact CZ-CB 3.8Å; F532-V609 HydrophobicContact CE2-CG2 3.6Å; F532-V609 HydrophobicContact CZ-CG2 4.22Å
533S90.3Very high90.7Very high69 Ų6932.5 Ų32.548%0.48318%0.18SC..Hα-helixtrans-63.2-18.9179.171.10000114.3S529 H530 P537S529-S533 WeakPolarHBondContact O-CB 3.35Å; S529-S533 PolarHBondContact O-N 2.89Å; S529-S533 PolarHBondContact O-OG 3.01Å; H530-S533 WeakPolarHBondContact CA-OG 3.45Å; H530-S533 PolarHBondContact O-N 3.41Å; H530-S533 PolarHBondContact O-OG 3.26Å; S533-P537 VanDerWaalsContact O-CD 3.25Å; S533-P537 WeakPolarHBondContact O-CD 3.42Å; S533-P537 VanDerWaalsContact O-CG 3.25Å; S533-P537 WeakPolarHBondContact O-CG 3.35Å
534T91.9Very high90.7Very high31 Ų3136.7 Ų36.719%0.1920%0.202CC..Hα-helixtrans-91.3-44177.1-52.90000111.1L477 R478 L481 H530 A531 F532 V538L477-T534 HydrophobicContact CD2-CG2 4.18Å; L477-T534 HydrophobicContact CG-CG2 4.46Å; R478-T534 HydrophobicContact CB-CG2 4.36Å; L481-T534 HydrophobicContact CD1-CG2 4.17Å; H530-T534 WeakPolarHBondContact O-CB 3.18Å; H530-T534 PolarHBondContact O-N 2.93Å; H530-T534 PolarHBondContact O-OG1 3.45Å; A531-T534 PolarHBondContact O-N 2.8Å; F532-T534 PolarHBondContact O-N 3.07Å; F532-T534 VanDerWaalsContact O-N 3.12Å; T534-V538 WeakPolarHBondContact O-CG2 3.46Å
535L92.1Very high91Very high8 Ų840 Ų404%0.04222%0.222CC..Hα-helixtrans-77.7-45.6-175.5-179.267.8000112.9L481 A531 F532 V538 L539 L583 A586 V587 L590L481-L535 HydrophobicContact CD1-CB 4.31Å; L481-L535 HydrophobicContact CD1-CD1 3.92Å; L481-L535 HydrophobicContact CD2-CD1 3.65Å; L481-L535 HydrophobicContact CG-CD1 4.45Å; A531-L535 WeakPolarHBondContact O-CB 3.39Å; A531-L535 PolarHBondContact O-N 3.21Å; F532-L535 PolarHBondContact O-N 3.26Å; L535-V538 PolarHBondContact O-N 3.48Å; L535-L539 PolarHBondContact O-N 3.22Å; L535-L583 HydrophobicContact CD1-CD2 3.74Å; L535-A586 HydrophobicContact CD1-CB 4.27Å; L535-A586 HydrophobicContact CD2-CB 4.45Å; L535-V587 HydrophobicContact CD2-CG2 3.79Å; L535-V587 HydrophobicContact CG-CG2 4.26Å; L535-L590 HydrophobicContact CD2-CD1 3.34Å; L535-L590 HydrophobicContact CD2-CG 4.46Å
536F92.1Very high91.3Very high41 Ų4136.2 Ų36.218%0.1820%0.204CC..Hα-helixtrans-63.6-41-170.6-171.5-104.3000113.6F532 V538 L539 Q540 A608 V609 R612F532-F536 HydrophobicContact CD1-CB 4.46Å; F532-F536 HydrophobicContact CD2-CB 4.32Å; F532-F536 HydrophobicContact CE1-CB 4.14Å; F532-F536 HydrophobicContact CE1-CD1 4.36Å; F532-F536 HydrophobicContact CE1-CG 4.18Å; F532-F536 HydrophobicContact CE2-CB 3.99Å; F532-F536 AromaticContact CE2-CD2 3.96Å; F532-F536 HydrophobicContact CE2-CD2 3.96Å; F532-F536 HydrophobicContact CE2-CG 4.05Å; F532-F536 HydrophobicContact CZ-CB 3.89Å; F532-F536 HydrophobicContact CZ-CD1 4.11Å; F532-F536 AromaticContact CZ-CD2 3.84Å; F532-F536 HydrophobicContact CZ-CD2 3.84Å; F532-F536 HydrophobicContact CZ-CE2 4.39Å; F532-F536 AromaticContact CZ-CG 3.67Å; F532-F536 HydrophobicContact CZ-CG 3.67Å; F532-F536 VanDerWaalsContact O-CB 3.29Å; F532-F536 WeakPolarHBondContact O-CB 3.47Å; F532-F536 PolarHBondContact O-N 3.31Å; F536-V538 PolarHBondContact O-N 3.4Å; F536-L539 HydrophobicContact CD2-CD2 4.27Å; F536-L539 HydrophobicContact CE2-CD2 4.47Å; F536-L539 WeakPolarHBondContact O-CB 3.44Å; F536-L539 PolarHBondContact O-N 2.93Å; F536-Q540 WeakPolarHBondContact O-CB 3.48Å; F536-Q540 PolarHBondContact O-N 3.07Å; F536-A608 HydrophobicContact CZ-CB 4.3Å; F536-V609 HydrophobicContact CD2-CG2 3.87Å; F536-V609 HydrophobicContact CE2-CG2 3.86Å; F536-R612 HydrophobicContact CZ-CG 4.31Å
537P93.7Very high91.6Very high62 Ų6237.2 Ų37.240%0.40321%0.209SC..Hα-helixtrans-62.4-40.4175.3-24.836.5000113.2S533 L539 Q540 E541S533-P537 VanDerWaalsContact O-CD 3.25Å; S533-P537 WeakPolarHBondContact O-CD 3.42Å; S533-P537 VanDerWaalsContact O-CG 3.25Å; S533-P537 WeakPolarHBondContact O-CG 3.35Å; P537-L539 VanDerWaalsContact C-N 3.34Å; P537-Q540 PolarHBondContact O-N 3.16Å; P537-E541 WeakPolarHBondContact O-CG 3.39Å; P537-E541 PolarHBondContact O-N 3.23Å
538V92.8Very high91.7Very high33 Ų3337.6 Ų37.620%0.222%0.217CC..Hα-helixtrans-67.2-38.4179.2-177.10000110.8T534 L535 F536 N542 L583T534-V538 WeakPolarHBondContact O-CG2 3.46Å; L535-V538 PolarHBondContact O-N 3.48Å; F536-V538 PolarHBondContact O-N 3.4Å; V538-N542 PolarHBondContact O-ND2 3.41Å; V538-L583 HydrophobicContact CG1-CD1 3.92Å; V538-L583 HydrophobicContact CG1-CD2 4.37Å
539L94.1Very high92Very high2 Ų236.9 Ų36.91%0.0121%0.212CC..Hα-helixtrans-59.7-50.7169.9178.775.8000110.7L535 F536 P537 E541 N542 L543 L580 L583 L584 V587L535-L539 PolarHBondContact O-N 3.22Å; F536-L539 HydrophobicContact CD2-CD2 4.27Å; F536-L539 HydrophobicContact CE2-CD2 4.47Å; F536-L539 WeakPolarHBondContact O-CB 3.44Å; F536-L539 PolarHBondContact O-N 2.93Å; P537-L539 VanDerWaalsContact C-N 3.34Å; L539-E541 VanDerWaalsContact C-N 3.33Å; L539-E541 PolarHBondContact O-N 3.28Å; L539-N542 PolarHBondContact O-N 3.29Å; L539-N542 VanDerWaalsContact O-N 3.11Å; L539-L543 HydrophobicContact CD1-CD1 4.41Å; L539-L543 HydrophobicContact CD1-CG 4.38Å; L539-L543 HydrophobicContact CD2-CD1 4.1Å; L539-L543 HydrophobicContact CG-CD1 3.84Å; L539-L543 HydrophobicContact CG-CG 4.14Å; L539-L543 WeakPolarHBondContact O-CG 3.45Å; L539-L543 PolarHBondContact O-N 3.03Å; L539-L580 HydrophobicContact CD1-CD1 3.93Å; L539-L583 HydrophobicContact CD1-CB 3.82Å; L539-L584 HydrophobicContact CD1-CD2 4.23Å; L539-L584 HydrophobicContact CD1-CG 4.45Å; L539-V587 HydrophobicContact CD1-CG2 4.37Å; L539-V587 HydrophobicContact CD2-CG2 3.81Å
540Q93.8Very high92.1Very high29 Ų2941.2 Ų41.214%0.13622%0.217CC..Hα-helixtrans-57.7-43.3-176.8-172.765.644.100112.1F536 P537 N542 L543 D544F536-Q540 WeakPolarHBondContact O-CB 3.48Å; F536-Q540 PolarHBondContact O-N 3.07Å; P537-Q540 PolarHBondContact O-N 3.16Å; Q540-N542 VanDerWaalsContact C-N 3.32Å; Q540-N542 PolarHBondContact O-N 3.45Å; Q540-L543 WeakPolarHBondContact O-CB 3.41Å; Q540-L543 PolarHBondContact O-N 2.87Å; Q540-L543 VanDerWaalsContact O-N 3.17Å; Q540-D544 PolarHBondContact NE2-OD1 3.23Å; Q540-D544 PolarHBondContact O-N 3.24Å
541E93.2Very high92.2Very high109 Ų10945.2 Ų45.251%0.50924%0.236SC..Hα-helixtrans-56.5-44.1176.2-73.7177.7-177.800112.6R487 P537 L539 V545R487-E541 IonicContact NH1-OE2 3.7Å; R487-E541 PolarHBondContact NH1-OE2 2.87Å; P537-E541 WeakPolarHBondContact O-CG 3.39Å; P537-E541 PolarHBondContact O-N 3.23Å; L539-E541 VanDerWaalsContact C-N 3.33Å; L539-E541 PolarHBondContact O-N 3.28Å; E541-V545 WeakPolarHBondContact O-CG2 3.35Å; E541-V545 PolarHBondContact O-N 3.18Å
542N93.6Very high92.2Very high1 Ų149.2 Ų49.21%0.00525%0.253CS..Hα-helixtrans-72-35.4178.1-70.4-76.7000112.3R487 V538 L539 Q540 D544 V545 Y546 S576 L580 L583R487-N542 PolarHBondContact NH2-ND2 3.4Å; R487-N542 PolarHBondContact NH2-OD1 3.13Å; V538-N542 PolarHBondContact O-ND2 3.41Å; L539-N542 PolarHBondContact O-N 3.29Å; L539-N542 VanDerWaalsContact O-N 3.11Å; Q540-N542 VanDerWaalsContact C-N 3.32Å; Q540-N542 PolarHBondContact O-N 3.45Å; N542-D544 VanDerWaalsContact C-N 3.34Å; N542-V545 PolarHBondContact O-N 2.76Å; N542-Y546 PolarHBondContact O-N 3.25Å; N542-Y546 VanDerWaalsContact O-N 3.07Å; N542-S576 PolarHBondContact OD1-O 3.3Å; N542-S576 PolarHBondContact OD1-OG 2.86Å; N542-L580 HydrophobicContact CB-CB 4Å; N542-L580 HydrophobicContact CB-CD1 4.01Å; N542-L580 HydrophobicContact CB-CG 4.43Å; N542-L583 WeakPolarHBondContact ND2-CD1 3.44Å
543L94.2Very high92.1Very high1 Ų149.2 Ų49.21%0.00525%0.254CS..Hα-helixtrans-62.7-43175.2-72.8-177.4000111.5L539 Q540 V545 Y546 L547 L580 R612 V616L539-L543 HydrophobicContact CD1-CD1 4.41Å; L539-L543 HydrophobicContact CD1-CG 4.38Å; L539-L543 HydrophobicContact CD2-CD1 4.1Å; L539-L543 HydrophobicContact CG-CD1 3.84Å; L539-L543 HydrophobicContact CG-CG 4.14Å; L539-L543 WeakPolarHBondContact O-CG 3.45Å; L539-L543 PolarHBondContact O-N 3.03Å; Q540-L543 WeakPolarHBondContact O-CB 3.41Å; Q540-L543 PolarHBondContact O-N 2.87Å; Q540-L543 VanDerWaalsContact O-N 3.17Å; L543-V545 VanDerWaalsContact C-N 3.27Å; L543-V545 PolarHBondContact O-N 2.92Å; L543-Y546 PolarHBondContact O-N 3.16Å; L543-Y546 VanDerWaalsContact O-N 3.15Å; L543-L547 WeakPolarHBondContact O-CB 3.05Å; L543-L547 VanDerWaalsContact O-CG 3.28Å; L543-L547 WeakPolarHBondContact O-CG 3.5Å; L543-L547 PolarHBondContact O-N 3.37Å; L543-L580 HydrophobicContact CD2-CD1 3.47Å; L543-L580 VanDerWaalsContact CD2-CD1 3.47Å; L543-L580 HydrophobicContact CD2-CD2 4Å; L543-L580 HydrophobicContact CD2-CG 4.35Å; L543-L580 HydrophobicContact CG-CD1 4Å; L543-R612 HydrophobicContact CD1-CB 4.14Å; L543-V616 HydrophobicContact CD1-CG2 4.23Å; L543-V616 HydrophobicContact CD2-CB 4.38Å; L543-V616 HydrophobicContact CD2-CG1 4.19Å; L543-V616 HydrophobicContact CD2-CG2 3.36Å; L543-V616 HydrophobicContact CG-CG2 4.31Å
544D94Very high92Very high88 Ų8848.6 Ų48.647%0.47125%0.247SC..Hα-helixtrans-61.9-37.4178.5-67-21.6000111.3Q540 N542 G548Q540-D544 PolarHBondContact NE2-OD1 3.23Å; Q540-D544 PolarHBondContact O-N 3.24Å; N542-D544 VanDerWaalsContact C-N 3.34Å; D544-G548 WeakPolarHBondContact O-CA 3.25Å; D544-G548 PolarHBondContact O-N 3.13Å
545V93.4Very high91.5Very high70 Ų7051.5 Ų51.542%0.42427%0.265SS..Hα-helixtrans-62.8-49.6172.5174.80000111E541 N542 L543 G548 L549E541-V545 WeakPolarHBondContact O-CG2 3.35Å; E541-V545 PolarHBondContact O-N 3.18Å; N542-V545 PolarHBondContact O-N 2.76Å; L543-V545 VanDerWaalsContact C-N 3.27Å; L543-V545 PolarHBondContact O-N 2.92Å; V545-G548 PolarHBondContact O-N 3.21Å; V545-L549 PolarHBondContact O-N 3.41Å
546Y94.6Very high90.6Very high2 Ų254.3 Ų54.31%0.00828%0.282CS..Hα-helixtrans-64.7-47.9-177.7-178.2-106.2000112.9N542 L543 G548 L549 L577 L580 V616 Y619 L625 F640 V643N542-Y546 PolarHBondContact O-N 3.25Å; N542-Y546 VanDerWaalsContact O-N 3.07Å; L543-Y546 PolarHBondContact O-N 3.16Å; L543-Y546 VanDerWaalsContact O-N 3.15Å; Y546-G548 VanDerWaalsContact C-N 3.26Å; Y546-G548 PolarHBondContact O-N 2.99Å; Y546-L549 HydrophobicContact CD2-CD1 4.05Å; Y546-L549 VanDerWaalsContact O-CB 3.32Å; Y546-L549 WeakPolarHBondContact O-CB 3.34Å; Y546-L549 WeakPolarHBondContact O-CG 3.4Å; Y546-L549 PolarHBondContact O-N 3.07Å; Y546-L577 HydrophobicContact CD2-CD2 3.54Å; Y546-L577 HydrophobicContact CE2-CD2 4.05Å; Y546-L580 HydrophobicContact CD1-CD2 4.41Å; Y546-L580 HydrophobicContact CD2-CD2 4.37Å; Y546-L580 HydrophobicContact CG-CD2 3.93Å; Y546-V616 HydrophobicContact CD1-CG1 4.06Å; Y546-V616 HydrophobicContact CE1-CG1 3.9Å; Y546-Y619 AromaticContact CD1-CD1 3.91Å; Y546-Y619 HydrophobicContact CD1-CD1 3.91Å; Y546-Y619 AromaticContact CD1-CE1 3.98Å; Y546-Y619 HydrophobicContact CD1-CE1 3.98Å; Y546-Y619 AromaticContact CE1-CD1 3.55Å; Y546-Y619 HydrophobicContact CE1-CD1 3.55Å; Y546-Y619 AromaticContact CE1-CE1 3.83Å; Y546-Y619 HydrophobicContact CE1-CE1 3.83Å; Y546-Y619 VanDerWaalsContact O-CE1 3.29Å; Y546-Y619 WeakPolarHBondContact O-CE1 3.43Å; Y546-Y619 PolarHBondContact O-OH 3.41Å; Y546-Y619 VanDerWaalsContact O-OH 3.12Å; Y546-L625 HydrophobicContact CD2-CD1 4.22Å; Y546-L625 HydrophobicContact CE2-CD1 3.44Å; Y546-L625 VanDerWaalsContact CE2-CD1 3.44Å; Y546-F640 HydrophobicContact CE2-CD1 4.06Å; Y546-F640 HydrophobicContact CE2-CE1 4.49Å; Y546-V643 HydrophobicContact CD1-CG1 4.37Å; Y546-V643 HydrophobicContact CD2-CG1 3.99Å; Y546-V643 HydrophobicContact CE1-CG1 4.09Å; Y546-V643 HydrophobicContact CE2-CB 4.26Å; Y546-V643 HydrophobicContact CE2-CG1 3.68Å; Y546-V643 HydrophobicContact CG-CG1 4.31Å
547L93.3Very high89.8Confident30 Ų3056 Ų5616%0.15731%0.311CS..Hα-helixtrans-66.7-30.8177.2-65175.3000111.5L543 L549 E615 V616 Y619L543-L547 WeakPolarHBondContact O-CB 3.05Å; L543-L547 VanDerWaalsContact O-CG 3.28Å; L543-L547 WeakPolarHBondContact O-CG 3.5Å; L543-L547 PolarHBondContact O-N 3.37Å; L547-L549 PolarHBondContact O-N 3.26Å; L547-E615 HydrophobicContact CD1-CG 4.35Å; L547-V616 HydrophobicContact CD1-CG2 4.38Å; L547-V616 HydrophobicContact CD2-CG2 4.2Å; L547-V616 HydrophobicContact CG-CG2 4.46Å; L547-Y619 HydrophobicContact CD2-CD1 3.77Å; L547-Y619 HydrophobicContact CD2-CD2 4.06Å; L547-Y619 HydrophobicContact CD2-CE1 4.41Å; L547-Y619 HydrophobicContact CD2-CG 3.54Å; L547-Y619 PolarHBondContact O-OH 3.28Å
548G92.1Very high88.5Confident22 Ų2259.4 Ų59.423%0.22734%0.337CS..G310 helixtrans-68.9-14.3174.400000114.4D544 V545 Y546 R550 Q551D544-G548 WeakPolarHBondContact O-CA 3.25Å; D544-G548 PolarHBondContact O-N 3.13Å; V545-G548 PolarHBondContact O-N 3.21Å; Y546-G548 VanDerWaalsContact C-N 3.26Å; Y546-G548 PolarHBondContact O-N 2.99Å; G548-R550 PolarHBondContact O-N 2.91Å; G548-R550 VanDerWaalsContact O-N 3.11Å; G548-Q551 WeakPolarHBondContact O-CG 3.41Å; G548-Q551 PolarHBondContact O-N 3.49Å; G548-Q551 PolarHBondContact O-NE2 3.48Å; G548-Q551 VanDerWaalsContact O-NE2 3.16Å
549L92.2Very high87.5Confident4 Ų459.5 Ų59.52%0.02134%0.339CS..G310 helixtrans-61-24.3-177-68.5174.2000113.7V545 Y546 L547 Q551 F552 I564 L573 L625 F640V545-L549 PolarHBondContact O-N 3.41Å; Y546-L549 HydrophobicContact CD2-CD1 4.05Å; Y546-L549 VanDerWaalsContact O-CB 3.32Å; Y546-L549 WeakPolarHBondContact O-CB 3.34Å; Y546-L549 WeakPolarHBondContact O-CG 3.4Å; Y546-L549 PolarHBondContact O-N 3.07Å; L547-L549 PolarHBondContact O-N 3.26Å; L549-Q551 PolarHBondContact O-N 3.42Å; L549-Q551 VanDerWaalsContact O-N 3.12Å; L549-F552 PolarHBondContact O-N 2.61Å; L549-I564 HydrophobicContact CD2-CD1 3.9Å; L549-L573 HydrophobicContact CD1-CD1 4.25Å; L549-L573 HydrophobicContact CD2-CD1 3.89Å; L549-L573 HydrophobicContact CD2-CD2 4.29Å; L549-L625 HydrophobicContact CD1-CD1 4.11Å; L549-F640 HydrophobicContact CD1-CE1 3.61Å; L549-F640 HydrophobicContact CD1-CZ 4.16Å
550R87.8Confident87Confident163 Ų16363.8 Ų63.862%0.61536%0.359SS*.G310 helixtrans-54.2-33.7179.3-171.3171.6-177.3165.12.6113.5G548 F552 I553 Y619G548-R550 PolarHBondContact O-N 2.91Å; G548-R550 VanDerWaalsContact O-N 3.11Å; R550-F552 PolarHBondContact O-N 3.07Å; R550-I553 PolarHBondContact O-N 3.1Å; R550-Y619 HydrophobicContact CB-CE2 4.03Å; R550-Y619 PolarHBondContact N-OH 3.17Å
551Q89.4Confident86.6Confident150 Ų15067.2 Ų67.270%0.70137%0.37SS*.G310 helixtrans-69.7-17.4179.276.8-161.1-32.500113.4G548 L549G548-Q551 WeakPolarHBondContact O-CG 3.41Å; G548-Q551 PolarHBondContact O-N 3.49Å; G548-Q551 PolarHBondContact O-NE2 3.48Å; G548-Q551 VanDerWaalsContact O-NE2 3.16Å; L549-Q551 PolarHBondContact O-N 3.42Å; L549-Q551 VanDerWaalsContact O-N 3.12Å
552F88.8Confident86.4Confident87 Ų8762.3 Ų62.338%0.38235%0.348SS..G310 helixtrans-100.1-0.1178.8-58.8-73.5000113L549 R550 L562 N563 I564L549-F552 PolarHBondContact O-N 2.61Å; R550-F552 PolarHBondContact O-N 3.07Å; F552-L562 HydrophobicContact CB-CD1 4.05Å; F552-N563 VanDerWaalsContact O-CB 3.24Å; F552-N563 WeakPolarHBondContact O-CB 3.49Å; F552-N563 PolarHBondContact O-N 3.27Å; F552-I564 HydrophobicContact CB-CD1 4.24Å; F552-I564 HydrophobicContact CB-CG1 4.1Å; F552-I564 HydrophobicContact CD1-CG1 4.47Å; F552-I564 HydrophobicContact CD2-CD1 4.22Å; F552-I564 HydrophobicContact CG-CD1 4.19Å; F552-I564 HydrophobicContact CG-CG1 4.2Å
553I87.8Confident86.2Confident32 Ų3265.8 Ų65.816%0.16437%0.366CS..EExtended strand (participates in β ladder)trans-83.1121.4176.6-58.1174.8000108.9R550 Q560 R561 L625 L628R550-I553 PolarHBondContact O-N 3.1Å; I553-Q560 HydrophobicContact CG2-CB 4.18Å; I553-R561 WeakPolarHBondContact CA-O 3.24Å; I553-L625 HydrophobicContact CD1-CD2 3.88Å; I553-L628 HydrophobicContact CD1-CD1 3.94Å; I553-L628 HydrophobicContact CG1-CD1 4.14Å; I553-L628 HydrophobicContact CG2-CD2 4.34Å
554V86.7Confident85.9Confident56 Ų5666.8 Ų66.834%0.33937%0.371SS..EExtended strand (participates in β ladder)trans-111.2131.9176.2-178.90000108.8T556 R561 N563V554-T556 HydrophobicContact CG1-CG2 4.35Å; V554-R561 HydrophobicContact CB-CG 4.17Å; V554-R561 PolarHBondContact N-O 3.06Å; V554-R561 PolarHBondContact O-N 2.69Å; V554-N563 HydrophobicContact CG2-CB 3.79Å
555T82.6Confident85.5Confident91 Ų9167.5 Ų67.556%0.55838%0.379SS*.EExtended strand (participates in β ladder)trans-94.9115.1174.8-44.50000109.4Q560T555-Q560 HydrophobicContact CG2-CG 4.31Å
556T72.4Confident85.3Confident68 Ų6866.3 Ų66.342%0.41738%0.377SS..EExtended strand (participates in β ladder)trans-11595.7175.236.70000109.1V554 S558 S559V554-T556 HydrophobicContact CG1-CG2 4.35Å; T556-S558 PolarHBondContact O-N 2.87Å; T556-S559 PolarHBondContact N-O 2.79Å; T556-S559 PolarHBondContact O-N 3.43Å; T556-S559 PolarHBondContact O-OG 2.98Å
557G74.4Confident84.9Confident76 Ų7674.2 Ų74.278%0.78441%0.414SS*.THydrogen-bonded Turntrans70.8-125-175.100000111.9
558S66.9Low84.7Confident134 Ų13478.4 Ų78.494%0.93744%0.436SS*.THydrogen-bonded Turntrans-90.2-7.4177.6600000114.5T556T556-S558 PolarHBondContact O-N 2.87Å
559S71.4Confident84.5Confident35 Ų3581 Ų8125%0.24545%0.445CS..EExtended strand (participates in β ladder)trans-104.3141.7178.566.30000112.1T556 E629T556-S559 PolarHBondContact N-O 2.79Å; T556-S559 PolarHBondContact O-N 3.43Å; T556-S559 PolarHBondContact O-OG 2.98Å; S559-E629 WeakPolarHBondContact CB-OE1 3.24Å; S559-E629 PolarHBondContact OG-OE1 2.88Å
560Q84.6Confident84.4Confident92 Ų9281.2 Ų81.243%0.4345%0.447SS..EExtended strand (participates in β ladder)trans-103.1129.4173-67-176.9-4.800108.7I553 T555 L628 E629I553-Q560 HydrophobicContact CG2-CB 4.18Å; T555-Q560 HydrophobicContact CG2-CG 4.31Å; Q560-L628 HydrophobicContact CB-CD2 3.29Å; Q560-L628 HydrophobicContact CG-CD2 4.44Å; Q560-E629 PolarHBondContact O-N 3.09Å; Q560-E629 VanDerWaalsContact O-N 3.1Å
561R86.2Confident84.4Confident101 Ų10180 Ų8038%0.38144%0.442SS..EExtended strand (participates in β ladder)trans-122.6144-179.171.6178-142.2177.97.7111.4I553 V554 N563 E629I553-R561 WeakPolarHBondContact CA-O 3.24Å; V554-R561 HydrophobicContact CB-CG 4.17Å; V554-R561 PolarHBondContact N-O 3.06Å; V554-R561 PolarHBondContact O-N 2.69Å; R561-N563 PolarHBondContact NH2-OD1 3.2Å; R561-E629 CarbonylContact C-O 3.57Å; R561-E629 WeakPolarHBondContact CA-O 3.48Å; R561-E629 HydrophobicContact CB-CB 4.03Å
562L88.9Confident84.5Confident6 Ų681.4 Ų81.43%0.03144%0.441CS..EExtended strand (participates in β ladder)trans-82.9116.4170.2-175.366.1000109.5F552 I564 L573 E629 T630 F640F552-L562 HydrophobicContact CB-CD1 4.05Å; L562-I564 HydrophobicContact CD1-CD1 4.06Å; L562-I564 HydrophobicContact CD1-CG1 4.27Å; L562-I564 HydrophobicContact CD2-CB 4.43Å; L562-I564 HydrophobicContact CD2-CD1 4.28Å; L562-I564 HydrophobicContact CG-CB 4.22Å; L562-I564 HydrophobicContact CG-CD1 4.2Å; L562-I564 HydrophobicContact CG-CG1 4.14Å; L562-I564 PolarHBondContact O-N 2.98Å; L562-L573 HydrophobicContact CD2-CD2 3.98Å; L562-E629 PolarHBondContact N-O 3.48Å; L562-T630 HydrophobicContact CB-CG2 4.22Å; L562-T630 HydrophobicContact CD2-CG2 4.34Å; L562-F640 HydrophobicContact CD2-CE2 4.18Å; L562-F640 HydrophobicContact CD2-CZ 3.87Å
563N88.4Confident84.7Confident73 Ų7377.7 Ų77.739%0.3943%0.425SS..  trans-84.346.4-177.8-160.946.8000112.5F552 V554 R561F552-N563 VanDerWaalsContact O-CB 3.24Å; F552-N563 WeakPolarHBondContact O-CB 3.49Å; F552-N563 PolarHBondContact O-N 3.27Å; V554-N563 HydrophobicContact CG2-CB 3.79Å; R561-N563 PolarHBondContact NH2-OD1 3.2Å
564I88Confident84.9Confident22 Ų2277.7 Ų77.711%0.11342%0.424CS..  trans-120.5100.3172.6-58.5175.2000106.3L549 F552 L562 D569 C570 L573L549-I564 HydrophobicContact CD2-CD1 3.9Å; F552-I564 HydrophobicContact CB-CD1 4.24Å; F552-I564 HydrophobicContact CB-CG1 4.1Å; F552-I564 HydrophobicContact CD1-CG1 4.47Å; F552-I564 HydrophobicContact CD2-CD1 4.22Å; F552-I564 HydrophobicContact CG-CD1 4.19Å; F552-I564 HydrophobicContact CG-CG1 4.2Å; L562-I564 HydrophobicContact CD1-CD1 4.06Å; L562-I564 HydrophobicContact CD1-CG1 4.27Å; L562-I564 HydrophobicContact CD2-CB 4.43Å; L562-I564 HydrophobicContact CD2-CD1 4.28Å; L562-I564 HydrophobicContact CG-CB 4.22Å; L562-I564 HydrophobicContact CG-CD1 4.2Å; L562-I564 HydrophobicContact CG-CG1 4.14Å; L562-I564 PolarHBondContact O-N 2.98Å; I564-D569 HydrophobicContact CG2-CB 3.83Å; I564-C570 PolarHBondContact O-SG 3.4Å; I564-C570 VanDerWaalsContact O-SG 3.39Å; I564-L573 HydrophobicContact CD1-CD2 4.02Å
565T85.6Confident85.1Confident103 Ų10375.5 Ų75.563%0.63241%0.412SS*.  trans-119.6-15-170.656.80000113.7A631T565-A631 HydrophobicContact CG2-CB 4.23Å
566A88.8Confident85.7Confident46 Ų4672 Ų7238%0.3839%0.391SS..  trans-72.3129.8177.300000110.3N568 D569 C570A566-N568 VanDerWaalsContact C-N 3.32Å; A566-N568 PolarHBondContact O-N 3.38Å; A566-D569 HydrophobicContact CB-CB 4.29Å; A566-D569 PolarHBondContact O-N 3.03Å; A566-C570 PolarHBondContact O-N 2.78Å; A566-C570 PolarHBondContact O-SG 3.4Å
567E86.6Confident86.8Confident168 Ų16868.9 Ų68.979%0.78537%0.372SS*.Hα-helixtrans-54.4-43.9-174.6-172.5-178.5172.500113.1D569 C570 R571E567-D569 VanDerWaalsContact C-N 3.33Å; E567-D569 PolarHBondContact O-N 3.47Å; E567-C570 PolarHBondContact O-N 3.24Å; E567-R571 WeakPolarHBondContact O-CB 3.49Å; E567-R571 PolarHBondContact O-N 3.37Å
568N88.4Confident87.7Confident117 Ų11766.6 Ų66.663%0.62634%0.339SS*.Hα-helixtrans-64.5-36.4177.7-74.2-33.4000112.8A566 R572A566-N568 VanDerWaalsContact C-N 3.32Å; A566-N568 PolarHBondContact O-N 3.38Å; N568-R572 VanDerWaalsContact O-CG 3.3Å; N568-R572 WeakPolarHBondContact O-CG 3.41Å; N568-R572 PolarHBondContact O-N 3.4Å
569D89.4Confident89Confident78 Ų7860.3 Ų60.342%0.41730%0.295SS..Hα-helixtrans-75.6-37178.9-64.3-31.2000110.6I564 A566 E567 R572 L573I564-D569 HydrophobicContact CG2-CB 3.83Å; A566-D569 HydrophobicContact CB-CB 4.29Å; A566-D569 PolarHBondContact O-N 3.03Å; E567-D569 VanDerWaalsContact C-N 3.33Å; E567-D569 PolarHBondContact O-N 3.47Å; D569-R572 PolarHBondContact O-N 3.39Å; D569-R572 IonicContact OD1-NH1 2.71Å; D569-L573 VanDerWaalsContact O-CB 3.3Å; D569-L573 WeakPolarHBondContact O-CB 3.35Å; D569-L573 PolarHBondContact O-N 3.36Å
570C88.8Confident90.2Very high8 Ų858.7 Ų58.75%0.05428%0.283CS..Hα-helixtrans-61.4-43.4170.8-65.90000111.7I564 A566 E567 L573 H574 V632I564-C570 PolarHBondContact O-SG 3.4Å; I564-C570 VanDerWaalsContact O-SG 3.39Å; A566-C570 PolarHBondContact O-N 2.78Å; A566-C570 PolarHBondContact O-SG 3.4Å; E567-C570 PolarHBondContact O-N 3.24Å; C570-L573 PolarHBondContact O-N 3.31Å; C570-H574 WeakPolarHBondContact O-CB 3.43Å; C570-H574 PolarHBondContact O-N 3.01Å; C570-V632 HydrophobicContact CB-CG2 4.41Å
571R89Confident90.6Very high136 Ų13654.6 Ų54.651%0.51327%0.265SS..Hα-helixtrans-64.1-43.9176.5-177177.4175.4153.65.9112Q490 E567 L573 H574 C575Q490-R571 VanDerWaalsContact CD-NH2 3.29Å; E567-R571 WeakPolarHBondContact O-CB 3.49Å; E567-R571 PolarHBondContact O-N 3.37Å; R571-L573 VanDerWaalsContact C-N 3.33Å; R571-L573 PolarHBondContact O-N 2.58Å; R571-H574 WeakPolarHBondContact O-CB 3.32Å; R571-H574 PolarHBondContact O-N 3.34Å; R571-C575 PolarHBondContact O-N 3.34Å; R571-C575 PolarHBondContact O-SG 2.83Å
572R90.6Very high91Very high181 Ų18149.8 Ų49.868%0.68325%0.247SC*.Hα-helixtrans-62.1-41.7175.3-75.9172.7177.3174.6-2111.9N568 D569 C575 S576N568-R572 VanDerWaalsContact O-CG 3.3Å; N568-R572 WeakPolarHBondContact O-CG 3.41Å; N568-R572 PolarHBondContact O-N 3.4Å; D569-R572 PolarHBondContact O-N 3.39Å; D569-R572 IonicContact OD1-NH1 2.71Å; R572-C575 PolarHBondContact O-N 3.32Å; R572-S576 WeakPolarHBondContact O-CB 3.47Å; R572-S576 PolarHBondContact O-N 3.31Å
573L92.4Very high91.3Very high9 Ų949.5 Ų49.55%0.04725%0.246CC..Hα-helixtrans-62.5-47.9175.9179.558.9000110.9L549 L562 I564 D569 C570 R571 C575 S576 L577 L636 F640L549-L573 HydrophobicContact CD1-CD1 4.25Å; L549-L573 HydrophobicContact CD2-CD1 3.89Å; L549-L573 HydrophobicContact CD2-CD2 4.29Å; L562-L573 HydrophobicContact CD2-CD2 3.98Å; I564-L573 HydrophobicContact CD1-CD2 4.02Å; D569-L573 VanDerWaalsContact O-CB 3.3Å; D569-L573 WeakPolarHBondContact O-CB 3.35Å; D569-L573 PolarHBondContact O-N 3.36Å; C570-L573 PolarHBondContact O-N 3.31Å; R571-L573 VanDerWaalsContact C-N 3.33Å; R571-L573 PolarHBondContact O-N 2.58Å; L573-C575 PolarHBondContact O-N 3Å; L573-S576 PolarHBondContact O-N 3.5Å; L573-S576 VanDerWaalsContact O-N 3.12Å; L573-L577 HydrophobicContact CD1-CD1 4.08Å; L573-L577 HydrophobicContact CD1-CD2 4.28Å; L573-L577 HydrophobicContact CD1-CG 3.97Å; L573-L577 HydrophobicContact CG-CD1 3.92Å; L573-L577 HydrophobicContact CG-CG 4.27Å; L573-L577 VanDerWaalsContact O-CG 3.28Å; L573-L577 WeakPolarHBondContact O-CG 3.38Å; L573-L577 PolarHBondContact O-N 2.97Å; L573-L636 HydrophobicContact CD2-CD1 4.37Å; L573-L636 HydrophobicContact CD2-CD2 4.19Å; L573-L636 HydrophobicContact CG-CD2 4.16Å; L573-F640 HydrophobicContact CD2-CZ 4.23Å
574H91.8Very high91.6Very high31 Ų3146 Ų4614%0.14423%0.227CC..Hα-helixtrans-52.1-52.6174.6171.160.5000111.8C570 R571 S576 L577 R578 V635 L636 D639C570-H574 WeakPolarHBondContact O-CB 3.43Å; C570-H574 PolarHBondContact O-N 3.01Å; R571-H574 WeakPolarHBondContact O-CB 3.32Å; R571-H574 PolarHBondContact O-N 3.34Å; H574-S576 VanDerWaalsContact C-N 3.33Å; H574-S576 PolarHBondContact O-N 2.95Å; H574-L577 PolarHBondContact O-N 3.34Å; H574-R578 PolarHBondContact O-N 3.5Å; H574-V635 HydrophobicContact CB-CG1 4.17Å; H574-V635 VanDerWaalsContact ND1-CG1 3.34Å; H574-V635 WeakPolarHBondContact ND1-CG1 3.39Å; H574-L636 HydrophobicContact CB-CD2 4.22Å; H574-D639 IonicContact CE1-OD1 2.65Å; H574-D639 IonicContact CE1-OD2 3.28Å; H574-D639 IonicContact CG-OD2 3.69Å; H574-D639 VanDerWaalsContact ND1-CG 3.31Å; H574-D639 IonicContact ND1-OD1 2.86Å; H574-D639 PolarHBondContact ND1-OD1 3.29Å; H574-D639 IonicContact ND1-OD2 2.71Å; H574-D639 PolarHBondContact ND1-OD2 3.03Å
575C92.8Very high91.9Very high11 Ų1147.3 Ų47.37%0.07423%0.233CC..Hα-helixtrans-59.6-41.6177.5-61.90000112.4F486 R571 R572 L573 R578 D579F486-C575 HydrophobicContact CB-CB 4.03Å; R571-C575 PolarHBondContact O-N 3.34Å; R571-C575 PolarHBondContact O-SG 2.83Å; R572-C575 PolarHBondContact O-N 3.32Å; L573-C575 PolarHBondContact O-N 3Å; C575-R578 PolarHBondContact O-N 3.01Å; C575-D579 VanDerWaalsContact O-CB 3.32Å; C575-D579 WeakPolarHBondContact O-CB 3.36Å; C575-D579 PolarHBondContact O-N 3.37Å
576S94.7Very high92.1Very high18 Ų1842.5 Ų42.513%0.12620%0.203CC..Hα-helixtrans-67.5-35.6179.1-173.20000112.8N542 R572 L573 H574 L580N542-S576 PolarHBondContact OD1-O 3.3Å; N542-S576 PolarHBondContact OD1-OG 2.86Å; R572-S576 WeakPolarHBondContact O-CB 3.47Å; R572-S576 PolarHBondContact O-N 3.31Å; L573-S576 PolarHBondContact O-N 3.5Å; L573-S576 VanDerWaalsContact O-N 3.12Å; H574-S576 VanDerWaalsContact C-N 3.33Å; H574-S576 PolarHBondContact O-N 2.95Å; S576-L580 VanDerWaalsContact O-CB 3.32Å; S576-L580 WeakPolarHBondContact O-CB 3.38Å; S576-L580 PolarHBondContact O-N 3.49Å
577L94.4Very high92.3Very high2 Ų240.5 Ų40.51%0.0119%0.186CC..Hα-helixtrans-70.6-42.7176.3-65.2172000111.5Y546 L573 H574 L580 S581 L636 D639 F640 V643Y546-L577 HydrophobicContact CD2-CD2 3.54Å; Y546-L577 HydrophobicContact CE2-CD2 4.05Å; L573-L577 HydrophobicContact CD1-CD1 4.08Å; L573-L577 HydrophobicContact CD1-CD2 4.28Å; L573-L577 HydrophobicContact CD1-CG 3.97Å; L573-L577 HydrophobicContact CG-CD1 3.92Å; L573-L577 HydrophobicContact CG-CG 4.27Å; L573-L577 VanDerWaalsContact O-CG 3.28Å; L573-L577 WeakPolarHBondContact O-CG 3.38Å; L573-L577 PolarHBondContact O-N 2.97Å; H574-L577 PolarHBondContact O-N 3.34Å; L577-L580 WeakPolarHBondContact O-CB 3.47Å; L577-L580 PolarHBondContact O-N 3.46Å; L577-S581 PolarHBondContact O-N 2.85Å; L577-L636 HydrophobicContact CD1-CD2 4.22Å; L577-D639 HydrophobicContact CB-CB 3.78Å; L577-D639 HydrophobicContact CD1-CB 3.6Å; L577-D639 HydrophobicContact CG-CB 4.33Å; L577-F640 HydrophobicContact CD1-CD1 3.72Å; L577-F640 HydrophobicContact CD1-CE1 3.44Å; L577-F640 VanDerWaalsContact CD1-CE1 3.44Å; L577-F640 HydrophobicContact CD1-CG 4.49Å; L577-F640 HydrophobicContact CD1-CZ 4.01Å; L577-F640 HydrophobicContact CD2-CD1 4.04Å; L577-F640 HydrophobicContact CD2-CE1 3.89Å; L577-F640 HydrophobicContact CG-CE1 4.33Å; L577-V643 HydrophobicContact CB-CG2 3.98Å; L577-V643 HydrophobicContact CD2-CG2 4.06Å; L577-V643 WeakPolarHBondContact O-CG2 3.48Å
578R93.5Very high92.6Very high28 Ų2833 Ų3311%0.10615%0.154CC..Hα-helixtrans-65.1-41.8174.9-67.5-69.3-68.8-171.8-7.4111.6F486 D498 H574 C575 L580 S581 S582 D639 D642F486-R578 HydrophobicContact CD2-CB 3.44Å; F486-R578 VanDerWaalsContact CD2-CB 3.44Å; F486-R578 HydrophobicContact CD2-CG 4.44Å; F486-R578 HydrophobicContact CE2-CB 3.6Å; F486-R578 HydrophobicContact CE2-CG 4.31Å; F486-R578 HydrophobicContact CG-CB 4Å; F486-R578 HydrophobicContact CZ-CB 4.28Å; D498-R578 IonicContact OD2-CZ 3.2Å; D498-R578 IonicContact OD2-NH1 3.14Å; D498-R578 PolarHBondContact OD2-NH1 3.23Å; D498-R578 IonicContact OD2-NH2 3.25Å; D498-R578 PolarHBondContact OD2-NH2 3.22Å; H574-R578 PolarHBondContact O-N 3.5Å; C575-R578 PolarHBondContact O-N 3.01Å; R578-L580 VanDerWaalsContact C-N 3.32Å; R578-L580 PolarHBondContact O-N 3.35Å; R578-S581 WeakPolarHBondContact O-CB 3.44Å; R578-S581 PolarHBondContact O-N 2.95Å; R578-S582 PolarHBondContact O-N 3.36Å; R578-S582 PolarHBondContact O-OG 3.17Å; R578-D639 VanDerWaalsContact CD-OD1 3.27Å; R578-D639 WeakPolarHBondContact CD-OD1 3.43Å; R578-D642 IonicContact NH1-OD2 3.81Å; R578-D642 PolarHBondContact NH1-OD2 3.23Å
579D94.8Very high92.5Very high1 Ų134 Ų341%0.00515%0.149CC..Hα-helixtrans-55.9-47.4170.9-78.31000111.4Q485 F486 R487 C575 S581 S582 L583Q485-D579 VanDerWaalsContact C-OD1 3.23Å; Q485-D579 WeakPolarHBondContact CA-OD1 3.34Å; Q485-D579 WeakPolarHBondContact CB-OD1 3.47Å; Q485-D579 HydrophobicContact CG-CB 4.39Å; Q485-D579 PolarHBondContact NE2-OD2 3Å; F486-D579 WeakPolarHBondContact CA-OD1 3.06Å; F486-D579 PolarHBondContact N-OD1 3.41Å; R487-D579 WeakPolarHBondContact CB-OD2 3.45Å; R487-D579 WeakPolarHBondContact CG-OD2 3.49Å; R487-D579 IonicContact CZ-OD2 3.38Å; R487-D579 PolarHBondContact N-OD1 3.47Å; R487-D579 IonicContact NE-OD2 3.97Å; R487-D579 PolarHBondContact NE-OD2 3.32Å; R487-D579 IonicContact NH2-OD2 2.8Å; C575-D579 VanDerWaalsContact O-CB 3.32Å; C575-D579 WeakPolarHBondContact O-CB 3.36Å; C575-D579 PolarHBondContact O-N 3.37Å; D579-S581 VanDerWaalsContact C-N 3.34Å; D579-S581 PolarHBondContact O-N 3.1Å; D579-S582 PolarHBondContact O-N 2.76Å; D579-L583 WeakPolarHBondContact O-CB 3.42Å; D579-L583 VanDerWaalsContact O-CG 3.22Å; D579-L583 WeakPolarHBondContact O-CG 3.34Å; D579-L583 PolarHBondContact O-N 3.31Å
580L96.3Very high92.3Very high1 Ų130.6 Ų30.61%0.00513%0.131CC..Hα-helixtrans-61.6-43.3179.4-179.352.4000111.6L539 N542 L543 Y546 S576 L577 R578 S582 L583 L584 V643L539-L580 HydrophobicContact CD1-CD1 3.93Å; N542-L580 HydrophobicContact CB-CB 4Å; N542-L580 HydrophobicContact CB-CD1 4.01Å; N542-L580 HydrophobicContact CB-CG 4.43Å; L543-L580 HydrophobicContact CD2-CD1 3.47Å; L543-L580 VanDerWaalsContact CD2-CD1 3.47Å; L543-L580 HydrophobicContact CD2-CD2 4Å; L543-L580 HydrophobicContact CD2-CG 4.35Å; L543-L580 HydrophobicContact CG-CD1 4Å; Y546-L580 HydrophobicContact CD1-CD2 4.41Å; Y546-L580 HydrophobicContact CD2-CD2 4.37Å; Y546-L580 HydrophobicContact CG-CD2 3.93Å; S576-L580 VanDerWaalsContact O-CB 3.32Å; S576-L580 WeakPolarHBondContact O-CB 3.38Å; S576-L580 PolarHBondContact O-N 3.49Å; L577-L580 WeakPolarHBondContact O-CB 3.47Å; L577-L580 PolarHBondContact O-N 3.46Å; R578-L580 VanDerWaalsContact C-N 3.32Å; R578-L580 PolarHBondContact O-N 3.35Å; L580-S582 PolarHBondContact O-N 3.36Å; L580-L583 PolarHBondContact O-N 3.34Å; L580-L584 HydrophobicContact CD1-CD1 4.04Å; L580-L584 HydrophobicContact CD1-CD2 4.44Å; L580-L584 HydrophobicContact CD1-CG 3.91Å; L580-L584 HydrophobicContact CG-CD1 3.91Å; L580-L584 HydrophobicContact CG-CG 4.29Å; L580-L584 WeakPolarHBondContact O-CB 3.35Å; L580-L584 VanDerWaalsContact O-CG 3.24Å; L580-L584 WeakPolarHBondContact O-CG 3.09Å; L580-L584 PolarHBondContact O-N 3.35Å; L580-V643 HydrophobicContact CB-CG2 4.27Å; L580-V643 HydrophobicContact CD2-CG1 3.55Å; L580-V643 HydrophobicContact CD2-CG2 4.32Å; L580-V643 HydrophobicContact CG-CG1 4.02Å; L580-V643 HydrophobicContact CG-CG2 4.36Å
581S94.1Very high92.3Very high6 Ų630.5 Ų30.54%0.04213%0.131CC..Hα-helixtrans-57.3-47.7175.3-1770000111.8L577 R578 D579 L583 L584 Q585 Q646L577-S581 PolarHBondContact O-N 2.85Å; R578-S581 WeakPolarHBondContact O-CB 3.44Å; R578-S581 PolarHBondContact O-N 2.95Å; D579-S581 VanDerWaalsContact C-N 3.34Å; D579-S581 PolarHBondContact O-N 3.1Å; S581-L583 PolarHBondContact O-N 2.95Å; S581-L584 PolarHBondContact O-N 3.03Å; S581-Q585 WeakPolarHBondContact O-CG 3.36Å; S581-Q585 PolarHBondContact O-N 3.23Å; S581-Q585 VanDerWaalsContact O-N 3.17Å; S581-Q646 WeakPolarHBondContact OG-CG 3.33Å
582S93.9Very high92.2Very high1 Ų131.4 Ų31.41%0.00714%0.14CC..Hα-helixtrans-61.7-42175.7-60.80000112.7W509 R578 D579 L580 Q585 A586W509-S582 WeakPolarHBondContact CZ2-OG 3.11Å; R578-S582 PolarHBondContact O-N 3.36Å; R578-S582 PolarHBondContact O-OG 3.17Å; D579-S582 PolarHBondContact O-N 2.76Å; L580-S582 PolarHBondContact O-N 3.36Å; S582-Q585 PolarHBondContact O-N 2.91Å; S582-A586 PolarHBondContact O-N 3.11Å
583L95.1Very high92Very high0 Ų024.8 Ų24.80%012%0.117CC..Hα-helixtrans-71.9-35-179.5-68.6166.8000112.6L535 V538 L539 N542 D579 L580 S581 Q585 A586 V587L535-L583 HydrophobicContact CD1-CD2 3.74Å; V538-L583 HydrophobicContact CG1-CD1 3.92Å; V538-L583 HydrophobicContact CG1-CD2 4.37Å; L539-L583 HydrophobicContact CD1-CB 3.82Å; N542-L583 WeakPolarHBondContact ND2-CD1 3.44Å; D579-L583 WeakPolarHBondContact O-CB 3.42Å; D579-L583 VanDerWaalsContact O-CG 3.22Å; D579-L583 WeakPolarHBondContact O-CG 3.34Å; D579-L583 PolarHBondContact O-N 3.31Å; L580-L583 PolarHBondContact O-N 3.34Å; S581-L583 PolarHBondContact O-N 2.95Å; L583-Q585 VanDerWaalsContact C-N 3.34Å; L583-A586 WeakPolarHBondContact O-CB 3.06Å; L583-A586 PolarHBondContact O-N 3.39Å; L583-V587 VanDerWaalsContact O-CG2 3.25Å; L583-V587 WeakPolarHBondContact O-CG2 3.49Å; L583-V587 PolarHBondContact O-N 3.49Å
584L95.4Very high91.8Very high0 Ų024.4 Ų24.40%012%0.115CC..Hα-helixtrans-62.9-42172.7-73.6167.7000110.9L539 L580 S581 V587 G588 L613 V643 Q646 A647 A650L539-L584 HydrophobicContact CD1-CD2 4.23Å; L539-L584 HydrophobicContact CD1-CG 4.45Å; L580-L584 HydrophobicContact CD1-CD1 4.04Å; L580-L584 HydrophobicContact CD1-CD2 4.44Å; L580-L584 HydrophobicContact CD1-CG 3.91Å; L580-L584 HydrophobicContact CG-CD1 3.91Å; L580-L584 HydrophobicContact CG-CG 4.29Å; L580-L584 WeakPolarHBondContact O-CB 3.35Å; L580-L584 VanDerWaalsContact O-CG 3.24Å; L580-L584 WeakPolarHBondContact O-CG 3.09Å; L580-L584 PolarHBondContact O-N 3.35Å; S581-L584 PolarHBondContact O-N 3.03Å; L584-V587 PolarHBondContact O-N 2.9Å; L584-G588 PolarHBondContact O-N 2.88Å; L584-L613 HydrophobicContact CD2-CD2 3.5Å; L584-V643 HydrophobicContact CD1-CG1 4.23Å; L584-V643 WeakPolarHBondContact CD1-O 3.48Å; L584-Q646 HydrophobicContact CB-CB 4.02Å; L584-Q646 HydrophobicContact CD1-CB 4.23Å; L584-A647 HydrophobicContact CD1-CB 4.12Å; L584-A650 HydrophobicContact CB-CB 4.45Å; L584-A650 WeakPolarHBondContact O-CB 3.43Å
585Q93.3Very high91.6Very high49 Ų4925.6 Ų25.623%0.22912%0.122CC..Hα-helixtrans-62.4-43.7172.4-71.9-176.255.500112L513 L517 S581 S582 L583 V587 G588 R589 Q646L513-Q585 HydrophobicContact CD2-CB 4.4Å; L513-Q585 VanDerWaalsContact CD2-OE1 3.3Å; L517-Q585 HydrophobicContact CD1-CB 4.3Å; S581-Q585 WeakPolarHBondContact O-CG 3.36Å; S581-Q585 PolarHBondContact O-N 3.23Å; S581-Q585 VanDerWaalsContact O-N 3.17Å; S582-Q585 PolarHBondContact O-N 2.91Å; L583-Q585 VanDerWaalsContact C-N 3.34Å; Q585-V587 VanDerWaalsContact C-N 3.35Å; Q585-V587 PolarHBondContact O-N 3.31Å; Q585-G588 PolarHBondContact O-N 3.5Å; Q585-R589 WeakPolarHBondContact O-CG 3.47Å; Q585-R589 PolarHBondContact O-N 2.79Å; Q585-Q646 VanDerWaalsContact CG-CD 3.49Å; Q585-Q646 HydrophobicContact CG-CG 4.1Å
586A91.3Very high91.3Very high2 Ų227 Ų272%0.01714%0.139CC..Hα-helixtrans-54.5-52.3175.700000110.7L517 L535 S582 L583 G588 R589 L590L517-A586 HydrophobicContact CD1-CB 4.33Å; L517-A586 HydrophobicContact CD2-CB 3.47Å; L517-A586 VanDerWaalsContact CD2-CB 3.47Å; L535-A586 HydrophobicContact CD1-CB 4.27Å; L535-A586 HydrophobicContact CD2-CB 4.45Å; S582-A586 PolarHBondContact O-N 3.11Å; L583-A586 WeakPolarHBondContact O-CB 3.06Å; L583-A586 PolarHBondContact O-N 3.39Å; A586-G588 PolarHBondContact O-N 2.86Å; A586-R589 PolarHBondContact O-N 3.13Å; A586-L590 WeakPolarHBondContact O-CG 3.37Å; A586-L590 PolarHBondContact O-N 2.94Å
587V92.4Very high90.8Very high4 Ų435.8 Ų35.82%0.02418%0.178CC..Hα-helixtrans-64.5-37.1-179.5173.50000112.7L535 L539 L583 L584 Q585 L590 V609 Y654L535-V587 HydrophobicContact CD2-CG2 3.79Å; L535-V587 HydrophobicContact CG-CG2 4.26Å; L539-V587 HydrophobicContact CD1-CG2 4.37Å; L539-V587 HydrophobicContact CD2-CG2 3.81Å; L583-V587 VanDerWaalsContact O-CG2 3.25Å; L583-V587 WeakPolarHBondContact O-CG2 3.49Å; L583-V587 PolarHBondContact O-N 3.49Å; L584-V587 PolarHBondContact O-N 2.9Å; Q585-V587 VanDerWaalsContact C-N 3.35Å; Q585-V587 PolarHBondContact O-N 3.31Å; V587-L590 WeakPolarHBondContact O-CB 3.34Å; V587-L590 PolarHBondContact O-N 3.47Å; V587-L590 VanDerWaalsContact O-N 3.17Å; V587-V609 HydrophobicContact CG1-CG1 3.31Å; V587-V609 HydrophobicContact CG1-CG2 4.48Å; V587-Y654 HydrophobicContact CG1-CE2 4.22Å; V587-Y654 WeakPolarHBondContact O-CE2 3.35Å; V587-Y654 PolarHBondContact O-OH 3.05Å
588G91.7Very high90.2Very high10 Ų1038.3 Ų38.310%0.10319%0.193CC..Hα-helixtrans-60.5-43174.300000112.3L584 Q585 A586 L590 A591 A653L584-G588 PolarHBondContact O-N 2.88Å; Q585-G588 PolarHBondContact O-N 3.5Å; A586-G588 PolarHBondContact O-N 2.86Å; G588-L590 PolarHBondContact O-N 2.66Å; G588-A591 WeakPolarHBondContact O-CB 3.27Å; G588-A591 PolarHBondContact O-N 3.12Å; G588-A653 VanDerWaalsContact O-CB 3.29Å; G588-A653 WeakPolarHBondContact O-CB 3.27Å
589R87.4Confident90Very high137 Ų13737.1 Ų37.152%0.51719%0.189SC..Hα-helixtrans-64.1-20.5175.6-68.8-67.9-175.6126.3-1113.6Q585 A586 A591Q585-R589 WeakPolarHBondContact O-CG 3.47Å; Q585-R589 PolarHBondContact O-N 2.79Å; A586-R589 PolarHBondContact O-N 3.13Å; R589-A591 VanDerWaalsContact C-N 3.34Å
590L83.9Confident89.6Confident8 Ų841 Ų414%0.04222%0.221CC..THydrogen-bonded Turntrans-82.5-8.5179-57-173.3000113.8M524 L535 A586 V587 G588 E592 H593 F594M524-L590 HydrophobicContact CB-CD2 4.45Å; M524-L590 HydrophobicContact CE-CB 4.13Å; M524-L590 HydrophobicContact CE-CD1 3.81Å; M524-L590 HydrophobicContact CE-CG 4.38Å; M524-L590 HydrophobicContact SD-CB 3.73Å; M524-L590 HydrophobicContact SD-CD1 3.64Å; M524-L590 HydrophobicContact SD-CD2 3.46Å; M524-L590 WeakPolarHBondContact SD-CD2 3.47Å; M524-L590 HydrophobicContact SD-CG 3.73Å; L535-L590 HydrophobicContact CD2-CD1 3.34Å; L535-L590 HydrophobicContact CD2-CG 4.46Å; A586-L590 WeakPolarHBondContact O-CG 3.37Å; A586-L590 PolarHBondContact O-N 2.94Å; V587-L590 WeakPolarHBondContact O-CB 3.34Å; V587-L590 PolarHBondContact O-N 3.47Å; V587-L590 VanDerWaalsContact O-N 3.17Å; G588-L590 PolarHBondContact O-N 2.66Å; L590-E592 VanDerWaalsContact C-N 3.27Å; L590-E592 PolarHBondContact O-N 3.42Å; L590-E592 VanDerWaalsContact O-N 3.17Å; L590-H593 WeakPolarHBondContact O-CB 3.38Å; L590-H593 PolarHBondContact O-N 2.9Å; L590-H593 PolarHBondContact O-ND1 3.27Å; L590-F594 HydrophobicContact CB-CE2 4.22Å; L590-F594 WeakPolarHBondContact O-CD2 3.34Å
591A89.4Confident89.1Confident6 Ų644.8 Ų44.85%0.0525%0.253CS..G310 helixtrans-54.7-38.8-173.900000113.7G588 R589 H593 F594 A653 Y654G588-A591 WeakPolarHBondContact O-CB 3.27Å; G588-A591 PolarHBondContact O-N 3.12Å; R589-A591 VanDerWaalsContact C-N 3.34Å; A591-H593 PolarHBondContact O-N 3.02Å; A591-F594 PolarHBondContact O-N 2.73Å; A591-A653 HydrophobicContact CB-CB 4.07Å; A591-A653 VanDerWaalsContact CB-O 3.3Å; A591-A653 WeakPolarHBondContact CB-O 3.16Å; A591-Y654 HydrophobicContact CB-CD1 4.19Å; A591-Y654 HydrophobicContact CB-CD2 3.85Å; A591-Y654 HydrophobicContact CB-CE1 4.19Å; A591-Y654 HydrophobicContact CB-CE2 3.84Å; A591-Y654 HydrophobicContact CB-CG 4.01Å
592E87.7Confident88.7Confident154 Ų15446.1 Ų46.172%0.7226%0.257SS*.G310 helixtrans-64.7-18.2179.3-63.9-175.2172.500113.6L590 F594 I595L590-E592 VanDerWaalsContact C-N 3.27Å; L590-E592 PolarHBondContact O-N 3.42Å; L590-E592 VanDerWaalsContact O-N 3.17Å; E592-F594 VanDerWaalsContact C-N 3.3Å; E592-F594 PolarHBondContact O-N 2.99Å; E592-I595 WeakPolarHBondContact O-CG1 3.27Å
593H85.1Confident88.5Confident43 Ų4347.9 Ų47.920%0.19926%0.264CS..G310 helixtrans-87.30.1-179.9-57.983.9000113.3M524 L590 A591 R602M524-H593 HydrophobicContact CE-CB 4.41Å; M524-H593 HydrophobicContact SD-CB 3.77Å; L590-H593 WeakPolarHBondContact O-CB 3.38Å; L590-H593 PolarHBondContact O-N 2.9Å; L590-H593 PolarHBondContact O-ND1 3.27Å; A591-H593 PolarHBondContact O-N 3.02Å; H593-R602 PolarHBondContact O-NH1 2.69Å
594F88.2Confident88.3Confident1 Ų152.4 Ų52.40%0.00429%0.292CS..G310 helixtrans-1101.5178.5-65.5-70.9000113.6M524 F532 L590 A591 E592 F599 R602 D605 A606 Y654M524-F594 HydrophobicContact CE-CE1 4.33Å; M524-F594 HydrophobicContact CE-CE2 3.94Å; M524-F594 HydrophobicContact CE-CZ 3.63Å; F532-F594 HydrophobicContact CD2-CZ 4.12Å; F532-F594 HydrophobicContact CE2-CZ 4.48Å; L590-F594 HydrophobicContact CB-CE2 4.22Å; L590-F594 WeakPolarHBondContact O-CD2 3.34Å; A591-F594 PolarHBondContact O-N 2.73Å; E592-F594 VanDerWaalsContact C-N 3.3Å; E592-F594 PolarHBondContact O-N 2.99Å; F594-F599 WeakPolarHBondContact O-CA 3.5Å; F594-F599 WeakPolarHBondContact O-CD2 3.47Å; F594-R602 HydrophobicContact CD1-CB 3.83Å; F594-R602 HydrophobicContact CE1-CB 4.21Å; F594-D605 HydrophobicContact CE1-CB 4.04Å; F594-A606 HydrophobicContact CB-CB 3.85Å; F594-A606 HydrophobicContact CD1-CB 3.7Å; F594-A606 HydrophobicContact CD2-CB 4.37Å; F594-A606 HydrophobicContact CE1-CB 4.3Å; F594-A606 HydrophobicContact CG-CB 3.73Å; F594-Y654 AromaticContact CD2-CE1 3.8Å; F594-Y654 HydrophobicContact CD2-CE1 3.8Å; F594-Y654 HydrophobicContact CE2-CE1 4.25Å; F594-Y654 WeakPolarHBondContact CE2-OH 3.34Å
595I88.3Confident88.1Confident55 Ų5554.6 Ų54.628%0.28230%0.304SS..SBendtrans-106.1172.1-178.857.3168.1000112.5E592 H656 W657E592-I595 WeakPolarHBondContact O-CG1 3.27Å; I595-H656 HydrophobicContact CG2-CB 4.48Å; I595-W657 HydrophobicContact CG2-CB 3.85Å
596G87.8Confident88Confident42 Ų4252.2 Ų52.243%0.43329%0.293SS..G310 helixtrans74.9-139.7175.200000113V598 F599 Q660G596-V598 PolarHBondContact O-N 3.32Å; G596-F599 VanDerWaalsContact O-CB 3.25Å; G596-F599 WeakPolarHBondContact O-CB 3.39Å; G596-F599 PolarHBondContact O-N 2.94Å; G596-Q660 PolarHBondContact O-NE2 3.39Å
597E82.2Confident88Confident201 Ų20153 Ų5394%0.93930%0.297SS*.G310 helixtrans-62.8-23.1-176-63.1-174.3171.800113.6
598V83.2Confident88.1Confident55 Ų5554.3 Ų54.333%0.33331%0.308SS..G310 helixtrans-92.3-6.8-175.7-166.90000112.4G596 A600 A601 R602G596-V598 PolarHBondContact O-N 3.32Å; V598-A600 PolarHBondContact O-N 2.72Å; V598-A601 PolarHBondContact O-N 3.01Å; V598-R602 HydrophobicContact CG1-CG 3.91Å; V598-R602 VanDerWaalsContact CG1-CZ 3.48Å; V598-R602 VanDerWaalsContact CG1-NE 3.33Å; V598-R602 PolarHBondContact O-N 3.11Å
599F88.6Confident88.2Confident4 Ų454 Ų542%0.01830%0.304CS..THydrogen-bonded Turntrans-53-53.7-175.6178.3-95.2000112.8F594 G596 A601 R602 F603 W657 Q660 F661 E664F594-F599 WeakPolarHBondContact O-CA 3.5Å; F594-F599 WeakPolarHBondContact O-CD2 3.47Å; G596-F599 VanDerWaalsContact O-CB 3.25Å; G596-F599 WeakPolarHBondContact O-CB 3.39Å; G596-F599 PolarHBondContact O-N 2.94Å; F599-A601 VanDerWaalsContact C-N 3.32Å; F599-A601 PolarHBondContact O-N 2.77Å; F599-R602 CarbonylContact O-C 3.27Å; F599-R602 PolarHBondContact O-N 3.42Å; F599-F603 AromaticContact CE1-CD2 3.83Å; F599-F603 HydrophobicContact CE1-CD2 3.83Å; F599-F603 HydrophobicContact CE1-CE2 4.37Å; F599-F603 HydrophobicContact CE2-CD2 4.28Å; F599-F603 AromaticContact CZ-CD2 3.59Å; F599-F603 HydrophobicContact CZ-CD2 3.59Å; F599-F603 AromaticContact CZ-CE2 3.9Å; F599-F603 HydrophobicContact CZ-CE2 3.9Å; F599-F603 WeakPolarHBondContact O-CA 3.14Å; F599-F603 WeakPolarHBondContact O-CB 3.18Å; F599-F603 PolarHBondContact O-N 2.78Å; F599-W657 AromaticContact CD2-CD1 3.62Å; F599-W657 AromaticContact CD2-NE1 3.58Å; F599-W657 AromaticContact CE2-CD1 3.49Å; F599-W657 VanDerWaalsContact CE2-CD1 3.49Å; F599-W657 HydrophobicContact CE2-CD2 4.3Å; F599-W657 AromaticContact CE2-CE2 3.8Å; F599-W657 HydrophobicContact CE2-CG 4.13Å; F599-W657 HydrophobicContact CE2-CZ2 4.47Å; F599-W657 AromaticContact CE2-NE1 3.24Å; F599-Q660 HydrophobicContact CD1-CG 4.05Å; F599-Q660 HydrophobicContact CD2-CB 4.08Å; F599-Q660 VanDerWaalsContact CD2-CD 3.48Å; F599-Q660 HydrophobicContact CD2-CG 3.76Å; F599-Q660 HydrophobicContact CE1-CG 4.16Å; F599-Q660 HydrophobicContact CE2-CB 3.89Å; F599-Q660 HydrophobicContact CE2-CG 3.86Å; F599-Q660 HydrophobicContact CG-CG 3.88Å; F599-Q660 VanDerWaalsContact CG-NE2 3.26Å; F599-Q660 HydrophobicContact CZ-CB 4.36Å; F599-Q660 HydrophobicContact CZ-CG 4.08Å; F599-F661 HydrophobicContact CE2-CB 4.44Å; F599-F661 HydrophobicContact CZ-CB 4Å; F599-E664 WeakPolarHBondContact CD1-OE1 3.49Å; F599-E664 VanDerWaalsContact CD1-OE2 3.27Å; F599-E664 WeakPolarHBondContact CD1-OE2 3.17Å; F599-E664 HydrophobicContact CE1-CB 4.44Å; F599-E664 VanDerWaalsContact CE1-CD 3.48Å; F599-E664 HydrophobicContact CE1-CG 4.41Å; F599-E664 WeakPolarHBondContact CE1-OE2 3.31Å
600A86.4Confident88.5Confident81 Ų8147.5 Ų47.567%0.66928%0.279SS*.G310 helixtrans-62.7-37.3-177.700000112.8V598 R602V598-A600 PolarHBondContact O-N 2.72Å; A600-R602 VanDerWaalsContact C-N 3.33Å; A600-R602 PolarHBondContact O-N 3.4Å
601A85.8Confident89.1Confident82 Ų8251 Ų5168%0.67830%0.296SS*.G310 helixtrans-71.8-25.8-178.100000113.3V598 F599V598-A601 PolarHBondContact O-N 3.01Å; F599-A601 VanDerWaalsContact C-N 3.32Å; F599-A601 PolarHBondContact O-N 2.77Å
602R86.4Confident89.3Confident34 Ų3454.6 Ų54.613%0.12831%0.308CS..G310 helixtrans-121.317.1-176.8-60.3-170.1-161.3155.914.2113.9H593 F594 V598 F599 A600 T604 D605 A606H593-R602 PolarHBondContact O-NH1 2.69Å; F594-R602 HydrophobicContact CD1-CB 3.83Å; F594-R602 HydrophobicContact CE1-CB 4.21Å; V598-R602 HydrophobicContact CG1-CG 3.91Å; V598-R602 VanDerWaalsContact CG1-CZ 3.48Å; V598-R602 VanDerWaalsContact CG1-NE 3.33Å; V598-R602 PolarHBondContact O-N 3.11Å; F599-R602 CarbonylContact O-C 3.27Å; F599-R602 PolarHBondContact O-N 3.42Å; A600-R602 VanDerWaalsContact C-N 3.33Å; A600-R602 PolarHBondContact O-N 3.4Å; R602-T604 PolarHBondContact O-N 3.3Å; R602-D605 PolarHBondContact O-N 3.14Å; R602-A606 PolarHBondContact O-N 2.84Å
603F89.6Confident89.7Confident37 Ų3747.4 Ų47.416%0.16227%0.274CS..Hα-helixtrans-55.6-42.1-177.9177.5-99.6000111.6F599 L607 W657 F661F599-F603 AromaticContact CE1-CD2 3.83Å; F599-F603 HydrophobicContact CE1-CD2 3.83Å; F599-F603 HydrophobicContact CE1-CE2 4.37Å; F599-F603 HydrophobicContact CE2-CD2 4.28Å; F599-F603 AromaticContact CZ-CD2 3.59Å; F599-F603 HydrophobicContact CZ-CD2 3.59Å; F599-F603 AromaticContact CZ-CE2 3.9Å; F599-F603 HydrophobicContact CZ-CE2 3.9Å; F599-F603 WeakPolarHBondContact O-CA 3.14Å; F599-F603 WeakPolarHBondContact O-CB 3.18Å; F599-F603 PolarHBondContact O-N 2.78Å; F603-L607 HydrophobicContact CE1-CD2 3.78Å; F603-L607 HydrophobicContact CZ-CD2 4.21Å; F603-L607 WeakPolarHBondContact O-CB 3.23Å; F603-L607 PolarHBondContact O-N 3.3Å; F603-W657 AromaticContact CD2-CZ2 3.82Å; F603-W657 HydrophobicContact CD2-CZ2 3.82Å; F603-W657 HydrophobicContact CE2-CH2 4.13Å; F603-W657 AromaticContact CE2-CZ2 3.71Å; F603-W657 HydrophobicContact CE2-CZ2 3.71Å; F603-F661 HydrophobicContact CE2-CB 4.48Å; F603-F661 HydrophobicContact CE2-CD1 4.44Å; F603-F661 AromaticContact CE2-CD2 3.51Å; F603-F661 HydrophobicContact CE2-CD2 3.51Å; F603-F661 AromaticContact CE2-CE2 3.77Å; F603-F661 HydrophobicContact CE2-CE2 3.77Å; F603-F661 AromaticContact CE2-CG 3.91Å; F603-F661 HydrophobicContact CE2-CG 3.91Å; F603-F661 HydrophobicContact CE2-CZ 4.35Å; F603-F661 AromaticContact CZ-CD2 3.76Å; F603-F661 HydrophobicContact CZ-CD2 3.76Å; F603-F661 HydrophobicContact CZ-CE1 4.39Å; F603-F661 AromaticContact CZ-CE2 3.48Å; F603-F661 HydrophobicContact CZ-CE2 3.48Å; F603-F661 VanDerWaalsContact CZ-CE2 3.48Å; F603-F661 HydrophobicContact CZ-CG 4.36Å; F603-F661 AromaticContact CZ-CZ 3.84Å; F603-F661 HydrophobicContact CZ-CZ 3.84Å
604T90.2Very high90.3Very high96 Ų9645.8 Ų45.859%0.58927%0.268SS*.Hα-helixtrans-65.9-45.1-179.141.90000112.8R602 L607 A608R602-T604 PolarHBondContact O-N 3.3Å; T604-L607 PolarHBondContact O-N 2.8Å; T604-A608 WeakPolarHBondContact O-CB 3.3Å; T604-A608 PolarHBondContact O-N 3.37Å
605D90.5Very high90.6Very high45 Ų4549.6 Ų49.624%0.24129%0.285CS..Hα-helixtrans-62-46.9176.4-64.9-20.6000111.3F532 F594 R602 A608 V609F532-D605 HydrophobicContact CD1-CB 4.18Å; F532-D605 HydrophobicContact CD2-CB 4.3Å; F532-D605 HydrophobicContact CE1-CB 3.89Å; F532-D605 HydrophobicContact CE2-CB 4.02Å; F532-D605 HydrophobicContact CG-CB 4.37Å; F532-D605 HydrophobicContact CZ-CB 3.8Å; F594-D605 HydrophobicContact CE1-CB 4.04Å; R602-D605 PolarHBondContact O-N 3.14Å; D605-A608 PolarHBondContact O-N 3.17Å; D605-V609 WeakPolarHBondContact O-CG2 3.49Å; D605-V609 PolarHBondContact O-N 3.41Å
606A91.5Very high90.9Very high0 Ų047 Ų470%027%0.272CS..Hα-helixtrans-65.9-41.1178.600000112.2F594 R602 V609 V610 W657F594-A606 HydrophobicContact CB-CB 3.85Å; F594-A606 HydrophobicContact CD1-CB 3.7Å; F594-A606 HydrophobicContact CD2-CB 4.37Å; F594-A606 HydrophobicContact CE1-CB 4.3Å; F594-A606 HydrophobicContact CG-CB 3.73Å; R602-A606 PolarHBondContact O-N 2.84Å; A606-V609 WeakPolarHBondContact O-CB 3.28Å; A606-V609 PolarHBondContact O-N 3.16Å; A606-V610 WeakPolarHBondContact O-CG2 3.45Å; A606-V610 PolarHBondContact O-N 2.99Å; A606-W657 HydrophobicContact CB-CD2 4.27Å; A606-W657 VanDerWaalsContact CB-CE2 3.49Å; A606-W657 HydrophobicContact CB-CZ2 3.76Å; A606-W657 VanDerWaalsContact CB-NE1 3.27Å
607L92.8Very high91.2Very high19 Ų1945 Ų4510%0.09925%0.251CS..Hα-helixtrans-61.2-44.4176.7179.164.9000111.4F603 T604 V609 V610 E611 W657 L676F603-L607 HydrophobicContact CE1-CD2 3.78Å; F603-L607 HydrophobicContact CZ-CD2 4.21Å; F603-L607 WeakPolarHBondContact O-CB 3.23Å; F603-L607 PolarHBondContact O-N 3.3Å; T604-L607 PolarHBondContact O-N 2.8Å; L607-V609 VanDerWaalsContact C-N 3.29Å; L607-V609 PolarHBondContact O-N 3.4Å; L607-V610 PolarHBondContact O-N 3.11Å; L607-E611 HydrophobicContact CD1-CG 4.29Å; L607-E611 HydrophobicContact CG-CG 4.5Å; L607-E611 WeakPolarHBondContact O-CB 3.49Å; L607-E611 WeakPolarHBondContact O-CG 3.28Å; L607-E611 PolarHBondContact O-N 2.96Å; L607-W657 HydrophobicContact CB-CH2 4.06Å; L607-W657 HydrophobicContact CB-CZ2 4.25Å; L607-W657 HydrophobicContact CD1-CH2 4.03Å; L607-L676 HydrophobicContact CD1-CD1 3.98Å
608A92.8Very high91.8Very high31 Ų3136.4 Ų36.426%0.25621%0.213SC..Hα-helixtrans-60-39.3176.900000112.1F536 T604 D605 R612F536-A608 HydrophobicContact CZ-CB 4.3Å; T604-A608 WeakPolarHBondContact O-CB 3.3Å; T604-A608 PolarHBondContact O-N 3.37Å; D605-A608 PolarHBondContact O-N 3.17Å; A608-R612 WeakPolarHBondContact O-CG 3.46Å; A608-R612 PolarHBondContact O-N 3.45Å
609V94Very high92.4Very high3 Ų334.6 Ų34.62%0.01820%0.2CC..Hα-helixtrans-64.1-51.9174170.30000111.2F532 F536 V587 D605 A606 L607 E611 R612 L613 Y654F532-V609 HydrophobicContact CE2-CG2 3.6Å; F532-V609 HydrophobicContact CZ-CG2 4.22Å; F536-V609 HydrophobicContact CD2-CG2 3.87Å; F536-V609 HydrophobicContact CE2-CG2 3.86Å; V587-V609 HydrophobicContact CG1-CG1 3.31Å; V587-V609 HydrophobicContact CG1-CG2 4.48Å; D605-V609 WeakPolarHBondContact O-CG2 3.49Å; D605-V609 PolarHBondContact O-N 3.41Å; A606-V609 WeakPolarHBondContact O-CB 3.28Å; A606-V609 PolarHBondContact O-N 3.16Å; L607-V609 VanDerWaalsContact C-N 3.29Å; L607-V609 PolarHBondContact O-N 3.4Å; V609-E611 VanDerWaalsContact C-N 3.32Å; V609-E611 PolarHBondContact O-N 3.13Å; V609-R612 PolarHBondContact O-N 2.99Å; V609-R612 VanDerWaalsContact O-N 3.16Å; V609-L613 HydrophobicContact CG1-CD1 3.81Å; V609-L613 HydrophobicContact CG1-CG 4.18Å; V609-L613 WeakPolarHBondContact O-CG 3.47Å; V609-L613 PolarHBondContact O-N 3.1Å; V609-Y654 HydrophobicContact CG1-CE1 4.27Å; V609-Y654 HydrophobicContact CG1-CE2 4.06Å
610V95.3Very high92.5Very high1 Ų134.4 Ų34.41%0.00620%0.2CC..Hα-helixtrans-62.2-40.5-176.91720000111.3A606 L607 R612 L613 V614 L651 Y654 W657 L658 L676A606-V610 WeakPolarHBondContact O-CG2 3.45Å; A606-V610 PolarHBondContact O-N 2.99Å; L607-V610 PolarHBondContact O-N 3.11Å; V610-R612 VanDerWaalsContact C-N 3.34Å; V610-R612 PolarHBondContact O-N 3.24Å; V610-L613 PolarHBondContact O-N 3.36Å; V610-V614 HydrophobicContact CG1-CG2 4.42Å; V610-V614 WeakPolarHBondContact O-CG2 3.24Å; V610-V614 PolarHBondContact O-N 3.47Å; V610-L651 HydrophobicContact CG1-CD1 4.14Å; V610-Y654 HydrophobicContact CG2-CD1 3.57Å; V610-Y654 HydrophobicContact CG2-CE1 4.29Å; V610-Y654 HydrophobicContact CG2-CG 3.77Å; V610-W657 HydrophobicContact CB-CZ3 4.14Å; V610-W657 HydrophobicContact CG1-CZ3 4.23Å; V610-W657 HydrophobicContact CG2-CE3 3.84Å; V610-W657 HydrophobicContact CG2-CZ3 3.79Å; V610-L658 HydrophobicContact CG1-CD2 4.28Å; V610-L676 HydrophobicContact CG1-CD1 4.34Å; V610-L676 HydrophobicContact CG1-CD2 4.45Å
611E94.9Very high92.7Very high82 Ų8231 Ų3138%0.38317%0.171SC..Hα-helixtrans-58-45.4174.6-79.1179.6159.400111.8L607 V609 V614 E615 Q672 L676L607-E611 HydrophobicContact CD1-CG 4.29Å; L607-E611 HydrophobicContact CG-CG 4.5Å; L607-E611 WeakPolarHBondContact O-CB 3.49Å; L607-E611 WeakPolarHBondContact O-CG 3.28Å; L607-E611 PolarHBondContact O-N 2.96Å; V609-E611 VanDerWaalsContact C-N 3.32Å; V609-E611 PolarHBondContact O-N 3.13Å; E611-V614 PolarHBondContact O-N 3.21Å; E611-E615 WeakPolarHBondContact O-CB 3.26Å; E611-E615 PolarHBondContact O-N 3.46Å; E611-Q672 PolarHBondContact OE1-NE2 2.69Å; E611-L676 HydrophobicContact CG-CD2 3.9Å
612R94.8Very high92.9Very high80 Ų8034.1 Ų34.130%0.30217%0.172SC..Hα-helixtrans-66.8-40.9176.4-69-56.1-170.8172.63.7112.8F536 L543 A608 V609 V610 V614 E615 V616F536-R612 HydrophobicContact CZ-CG 4.31Å; L543-R612 HydrophobicContact CD1-CB 4.14Å; A608-R612 WeakPolarHBondContact O-CG 3.46Å; A608-R612 PolarHBondContact O-N 3.45Å; V609-R612 PolarHBondContact O-N 2.99Å; V609-R612 VanDerWaalsContact O-N 3.16Å; V610-R612 VanDerWaalsContact C-N 3.34Å; V610-R612 PolarHBondContact O-N 3.24Å; R612-V614 VanDerWaalsContact C-N 3.32Å; R612-V614 PolarHBondContact O-N 3.47Å; R612-E615 VanDerWaalsContact CD-OE2 3.27Å; R612-E615 WeakPolarHBondContact CD-OE2 3.39Å; R612-E615 IonicContact CZ-OE2 3.66Å; R612-E615 IonicContact NE-OE2 3.86Å; R612-E615 IonicContact NH1-OE1 3.65Å; R612-E615 IonicContact NH1-OE2 3.95Å; R612-E615 PolarHBondContact NH1-OE2 3.19Å; R612-E615 PolarHBondContact O-N 3.34Å; R612-V616 WeakPolarHBondContact O-CB 3.21Å; R612-V616 WeakPolarHBondContact O-CG2 3.34Å; R612-V616 PolarHBondContact O-N 2.95Å
613L96.3Very high93Very high3 Ų333.1 Ų33.12%0.01617%0.169CC..Hα-helixtrans-61.8-41.4176.2-68.6176.5000111.6L584 V609 V610 T617 A650 L651 Y654L584-L613 HydrophobicContact CD2-CD2 3.5Å; V609-L613 HydrophobicContact CG1-CD1 3.81Å; V609-L613 HydrophobicContact CG1-CG 4.18Å; V609-L613 WeakPolarHBondContact O-CG 3.47Å; V609-L613 PolarHBondContact O-N 3.1Å; V610-L613 PolarHBondContact O-N 3.36Å; L613-T617 WeakPolarHBondContact O-CB 3.42Å; L613-T617 PolarHBondContact O-N 3.43Å; L613-T617 PolarHBondContact O-OG1 3.46Å; L613-A650 HydrophobicContact CD1-CB 4.11Å; L613-A650 HydrophobicContact CD2-CB 3.8Å; L613-L651 HydrophobicContact CB-CB 4.28Å; L613-L651 HydrophobicContact CB-CD1 4.2Å; L613-Y654 HydrophobicContact CD1-CD2 4.01Å; L613-Y654 HydrophobicContact CD1-CE2 4.08Å
614V96.4Very high92.9Very high10 Ų1033 Ų336%0.06117%0.173CC..Hα-helixtrans-65-44.5174.8171.50000111.1V610 E611 R612 V616 T617 C618 L651 L676 A680V610-V614 HydrophobicContact CG1-CG2 4.42Å; V610-V614 WeakPolarHBondContact O-CG2 3.24Å; V610-V614 PolarHBondContact O-N 3.47Å; E611-V614 PolarHBondContact O-N 3.21Å; R612-V614 VanDerWaalsContact C-N 3.32Å; R612-V614 PolarHBondContact O-N 3.47Å; V614-V616 PolarHBondContact O-N 3.46Å; V614-T617 PolarHBondContact O-N 3.4Å; V614-C618 WeakPolarHBondContact O-CB 3.5Å; V614-C618 PolarHBondContact O-N 2.58Å; V614-C618 PolarHBondContact O-SG 3.16Å; V614-L651 HydrophobicContact CG2-CD1 3.85Å; V614-L651 HydrophobicContact CG2-CD2 3.88Å; V614-L676 HydrophobicContact CB-CD2 4.39Å; V614-L676 HydrophobicContact CG2-CD2 4.1Å; V614-A680 HydrophobicContact CG2-CB 4.47Å
615E95.4Very high92.7Very high80 Ų8028.5 Ų28.537%0.37415%0.145SC..Hα-helixtrans-57.6-47.7177.4-178-179.7-164.100111.9L547 E611 R612 C618 Y619L547-E615 HydrophobicContact CD1-CG 4.35Å; E611-E615 WeakPolarHBondContact O-CB 3.26Å; E611-E615 PolarHBondContact O-N 3.46Å; R612-E615 VanDerWaalsContact CD-OE2 3.27Å; R612-E615 WeakPolarHBondContact CD-OE2 3.39Å; R612-E615 IonicContact CZ-OE2 3.66Å; R612-E615 IonicContact NE-OE2 3.86Å; R612-E615 IonicContact NH1-OE1 3.65Å; R612-E615 IonicContact NH1-OE2 3.95Å; R612-E615 PolarHBondContact NH1-OE2 3.19Å; R612-E615 PolarHBondContact O-N 3.34Å; E615-C618 WeakPolarHBondContact O-CB 3.38Å; E615-C618 PolarHBondContact O-N 2.74Å; E615-Y619 WeakPolarHBondContact O-CB 3.35Å; E615-Y619 PolarHBondContact O-N 3.38Å
616V94.8Very high92.5Very high0 Ų027.1 Ų27.10%014%0.137CC..Hα-helixtrans-67.5-39.6-178.1175.10000111.7L543 Y546 L547 R612 V614 Y619 G620 A647L543-V616 HydrophobicContact CD1-CG2 4.23Å; L543-V616 HydrophobicContact CD2-CB 4.38Å; L543-V616 HydrophobicContact CD2-CG1 4.19Å; L543-V616 HydrophobicContact CD2-CG2 3.36Å; L543-V616 HydrophobicContact CG-CG2 4.31Å; Y546-V616 HydrophobicContact CD1-CG1 4.06Å; Y546-V616 HydrophobicContact CE1-CG1 3.9Å; L547-V616 HydrophobicContact CD1-CG2 4.38Å; L547-V616 HydrophobicContact CD2-CG2 4.2Å; L547-V616 HydrophobicContact CG-CG2 4.46Å; R612-V616 WeakPolarHBondContact O-CB 3.21Å; R612-V616 WeakPolarHBondContact O-CG2 3.34Å; R612-V616 PolarHBondContact O-N 2.95Å; V614-V616 PolarHBondContact O-N 3.46Å; V616-Y619 PolarHBondContact O-N 2.75Å; V616-G620 PolarHBondContact O-N 3.35Å; V616-A647 HydrophobicContact CG1-CB 3.95Å
617T94.6Very high92.2Very high0 Ų031.6 Ų31.60%016%0.161CC..Hα-helixtrans-64.5-46.8174.7-55.90000110.8L613 V614 Y619 G620 S621 H644 L648 A683L613-T617 WeakPolarHBondContact O-CB 3.42Å; L613-T617 PolarHBondContact O-N 3.43Å; L613-T617 PolarHBondContact O-OG1 3.46Å; V614-T617 PolarHBondContact O-N 3.4Å; T617-Y619 VanDerWaalsContact C-N 3.32Å; T617-Y619 PolarHBondContact O-N 3.08Å; T617-G620 PolarHBondContact O-N 3.45Å; T617-S621 PolarHBondContact O-N 2.93Å; T617-S621 PolarHBondContact O-OG 3.14Å; T617-H644 PolarHBondContact O-NE2 2.87Å; T617-L648 HydrophobicContact CG2-CD2 3.32Å; T617-L648 HydrophobicContact CG2-CG 3.94Å; T617-A683 HydrophobicContact CG2-CB 3.84Å
618C94.5Very high91.9Very high21 Ų2130.9 Ų30.914%0.14216%0.157CC..Hα-helixtrans-57.7-45.5174.4-76.30000111.8V614 E615 S621 Q622V614-C618 WeakPolarHBondContact O-CB 3.5Å; V614-C618 PolarHBondContact O-N 2.58Å; V614-C618 PolarHBondContact O-SG 3.16Å; E615-C618 WeakPolarHBondContact O-CB 3.38Å; E615-C618 PolarHBondContact O-N 2.74Å; C618-S621 PolarHBondContact O-N 2.72Å; C618-Q622 WeakPolarHBondContact O-CB 3.36Å; C618-Q622 WeakPolarHBondContact O-CG 3.27Å; C618-Q622 PolarHBondContact O-N 2.95Å
619Y94.4Very high91.6Very high17 Ų1734.7 Ų34.77%0.06717%0.17CC..Hα-helixtrans-61.2-48.1178.5175.2-98.9000111.9Y546 L547 R550 E615 V616 T617 S621 Q622 T623 L625Y546-Y619 AromaticContact CD1-CD1 3.91Å; Y546-Y619 HydrophobicContact CD1-CD1 3.91Å; Y546-Y619 AromaticContact CD1-CE1 3.98Å; Y546-Y619 HydrophobicContact CD1-CE1 3.98Å; Y546-Y619 AromaticContact CE1-CD1 3.55Å; Y546-Y619 HydrophobicContact CE1-CD1 3.55Å; Y546-Y619 AromaticContact CE1-CE1 3.83Å; Y546-Y619 HydrophobicContact CE1-CE1 3.83Å; Y546-Y619 VanDerWaalsContact O-CE1 3.29Å; Y546-Y619 WeakPolarHBondContact O-CE1 3.43Å; Y546-Y619 PolarHBondContact O-OH 3.41Å; Y546-Y619 VanDerWaalsContact O-OH 3.12Å; L547-Y619 HydrophobicContact CD2-CD1 3.77Å; L547-Y619 HydrophobicContact CD2-CD2 4.06Å; L547-Y619 HydrophobicContact CD2-CE1 4.41Å; L547-Y619 HydrophobicContact CD2-CG 3.54Å; L547-Y619 PolarHBondContact O-OH 3.28Å; R550-Y619 HydrophobicContact CB-CE2 4.03Å; R550-Y619 PolarHBondContact N-OH 3.17Å; E615-Y619 WeakPolarHBondContact O-CB 3.35Å; E615-Y619 PolarHBondContact O-N 3.38Å; V616-Y619 PolarHBondContact O-N 2.75Å; T617-Y619 VanDerWaalsContact C-N 3.32Å; T617-Y619 PolarHBondContact O-N 3.08Å; Y619-S621 VanDerWaalsContact C-N 3.35Å; Y619-S621 PolarHBondContact O-N 3.43Å; Y619-Q622 PolarHBondContact O-N 3.21Å; Y619-T623 HydrophobicContact CD2-CG2 3.88Å; Y619-T623 HydrophobicContact CE1-CG2 4.47Å; Y619-T623 HydrophobicContact CE2-CG2 3.6Å; Y619-T623 HydrophobicContact CG-CG2 4.43Å; Y619-T623 WeakPolarHBondContact O-CB 3.49Å; Y619-T623 WeakPolarHBondContact O-CG2 3.42Å; Y619-T623 PolarHBondContact O-N 3.4Å; Y619-T623 PolarHBondContact O-OG1 3.18Å; Y619-L625 HydrophobicContact CE1-CD1 4Å
620G91Very high91.3Very high0 Ų035.5 Ų35.50%017%0.174CC..Hα-helixtrans-58.1-44.3177.700000112.6V616 T617 S624V616-G620 PolarHBondContact O-N 3.35Å; T617-G620 PolarHBondContact O-N 3.45Å; G620-S624 WeakPolarHBondContact O-CA 3.49Å; G620-S624 PolarHBondContact O-N 3.25Å
621S91.1Very high90.7Very high11 Ų1137.9 Ų37.98%0.07719%0.194CC..Hα-helixtrans-71.4-33.4178.4-66.20000114.1T617 C618 Y619 H644 A683T617-S621 PolarHBondContact O-N 2.93Å; T617-S621 PolarHBondContact O-OG 3.14Å; C618-S621 PolarHBondContact O-N 2.72Å; Y619-S621 VanDerWaalsContact C-N 3.35Å; Y619-S621 PolarHBondContact O-N 3.43Å; S621-H644 PolarHBondContact N-CE1 3.02Å; S621-H644 VanDerWaalsContact N-CE1 3.29Å; S621-H644 PolarHBondContact OG-CE1 3.24Å; S621-H644 PolarHBondContact OG-NE2 3.35Å; S621-A683 VanDerWaalsContact CB-O 3.24Å; S621-A683 WeakPolarHBondContact CB-O 3.22Å; S621-A683 PolarHBondContact OG-O 2.86Å
622Q90.2Very high90.4Very high146 Ų14636.5 Ų36.568%0.68219%0.191SC*.Hα-helixtrans-77.6-34.6179.2-73.4172.415.800113C618 Y619C618-Q622 WeakPolarHBondContact O-CB 3.36Å; C618-Q622 WeakPolarHBondContact O-CG 3.27Å; C618-Q622 PolarHBondContact O-N 2.95Å; Y619-Q622 PolarHBondContact O-N 3.21Å
623T87.3Confident89.9Confident13 Ų1335.8 Ų35.88%0.0820%0.197CC..Hα-helixtrans-92-21.8-17756.50000113.3Y619 L625Y619-T623 HydrophobicContact CD2-CG2 3.88Å; Y619-T623 HydrophobicContact CE1-CG2 4.47Å; Y619-T623 HydrophobicContact CE2-CG2 3.6Å; Y619-T623 HydrophobicContact CG-CG2 4.43Å; Y619-T623 WeakPolarHBondContact O-CB 3.49Å; Y619-T623 WeakPolarHBondContact O-CG2 3.42Å; Y619-T623 PolarHBondContact O-N 3.4Å; Y619-T623 PolarHBondContact O-OG1 3.18Å; T623-L625 VanDerWaalsContact C-N 3.31Å; T623-L625 PolarHBondContact O-N 3.08Å; T623-L625 WeakPolarHBondContact OG1-CG 3.34Å
624S88.5Confident89.5Confident34 Ų3440.3 Ų40.324%0.23823%0.229CC..THydrogen-bonded Turntrans49.249.5-179.1-61.40000112.5G620 Y626 D627G620-S624 WeakPolarHBondContact O-CA 3.49Å; G620-S624 PolarHBondContact O-N 3.25Å; S624-Y626 PolarHBondContact O-N 3.02Å; S624-Y626 PolarHBondContact OG-OH 3.2Å; S624-D627 PolarHBondContact O-N 3.38Å
625L86.1Confident89Confident2 Ų242.4 Ų42.41%0.0124%0.242CC..G310 helixtrans-55.1-29-175-61.4-174.1000114Y546 L549 I553 Y619 T623 D627 L628 F640Y546-L625 HydrophobicContact CD2-CD1 4.22Å; Y546-L625 HydrophobicContact CE2-CD1 3.44Å; Y546-L625 VanDerWaalsContact CE2-CD1 3.44Å; L549-L625 HydrophobicContact CD1-CD1 4.11Å; I553-L625 HydrophobicContact CD1-CD2 3.88Å; Y619-L625 HydrophobicContact CE1-CD1 4Å; T623-L625 VanDerWaalsContact C-N 3.31Å; T623-L625 PolarHBondContact O-N 3.08Å; T623-L625 WeakPolarHBondContact OG1-CG 3.34Å; L625-D627 PolarHBondContact O-N 3.36Å; L625-L628 HydrophobicContact CB-CD1 4.34Å; L625-L628 HydrophobicContact CD2-CD1 3.42Å; L625-L628 VanDerWaalsContact CD2-CD1 3.42Å; L625-L628 HydrophobicContact CD2-CG 4.5Å; L625-L628 HydrophobicContact CG-CD1 4.46Å; L625-L628 WeakPolarHBondContact O-CB 3.29Å; L625-L628 PolarHBondContact O-N 3.02Å; L625-F640 HydrophobicContact CB-CB 4.11Å; L625-F640 HydrophobicContact CB-CD1 4.07Å; L625-F640 HydrophobicContact CB-CD2 4.28Å; L625-F640 HydrophobicContact CB-CG 3.91Å; L625-F640 HydrophobicContact CD1-CD1 3.87Å; L625-F640 HydrophobicContact CD1-CE1 4.01Å
626Y85.2Confident88.8Confident16 Ų1638.6 Ų38.66%0.06322%0.224CC..G310 helixtrans-65-25.317754.8-95.1000113.2S624 L687 V692 P693 L696S624-Y626 PolarHBondContact O-N 3.02Å; S624-Y626 PolarHBondContact OG-OH 3.2Å; Y626-L687 HydrophobicContact CE1-CD2 4.22Å; Y626-V692 HydrophobicContact CE2-CG1 4.28Å; Y626-V692 HydrophobicContact CE2-CG2 4.15Å; Y626-P693 HydrophobicContact CD2-CG 4.21Å; Y626-L696 HydrophobicContact CD1-CD1 3.52Å; Y626-L696 HydrophobicContact CD2-CD1 4.47Å; Y626-L696 HydrophobicContact CE1-CD1 3.92Å; Y626-L696 HydrophobicContact CG-CD1 3.85Å
627D86.5Confident88.6Confident95 Ų9541.9 Ų41.951%0.50824%0.238SC..G310 helixtrans-92-10.5178.7-75.7-21.9000113.2S624 L625S624-D627 PolarHBondContact O-N 3.38Å; L625-D627 PolarHBondContact O-N 3.36Å
628L86.8Confident88.5Confident4 Ų444.8 Ų44.82%0.02126%0.257CS..SBendtrans-64.8148.1-177.5-67.9178.9000113I553 Q560 L625 T630 K637I553-L628 HydrophobicContact CD1-CD1 3.94Å; I553-L628 HydrophobicContact CG1-CD1 4.14Å; I553-L628 HydrophobicContact CG2-CD2 4.34Å; Q560-L628 HydrophobicContact CB-CD2 3.29Å; Q560-L628 HydrophobicContact CG-CD2 4.44Å; L625-L628 HydrophobicContact CB-CD1 4.34Å; L625-L628 HydrophobicContact CD2-CD1 3.42Å; L625-L628 VanDerWaalsContact CD2-CD1 3.42Å; L625-L628 HydrophobicContact CD2-CG 4.5Å; L625-L628 HydrophobicContact CG-CD1 4.46Å; L625-L628 WeakPolarHBondContact O-CB 3.29Å; L625-L628 PolarHBondContact O-N 3.02Å; L628-T630 HydrophobicContact CB-CG2 4.48Å; L628-K637 WeakPolarHBondContact O-CE 3.37Å; L628-K637 PolarHBondContact O-NZ 3.25Å
629E84.9Confident88.4Confident111 Ų11144 Ų4452%0.51925%0.252SS..BIsolated β-bridgetrans-72.8125.3164.5-70.8176.8-166.800109.5S559 Q560 R561 L562S559-E629 WeakPolarHBondContact CB-OE1 3.24Å; S559-E629 PolarHBondContact OG-OE1 2.88Å; Q560-E629 PolarHBondContact O-N 3.09Å; Q560-E629 VanDerWaalsContact O-N 3.1Å; R561-E629 CarbonylContact C-O 3.57Å; R561-E629 WeakPolarHBondContact CA-O 3.48Å; R561-E629 HydrophobicContact CB-CB 4.03Å; L562-E629 PolarHBondContact N-O 3.48Å
630T87.8Confident88.4Confident19 Ų1943.3 Ų43.312%0.11725%0.249CC..  trans-127.9156.4-17966.40000110.3L562 L628 V632 P633 F640L562-T630 HydrophobicContact CB-CG2 4.22Å; L562-T630 HydrophobicContact CD2-CG2 4.34Å; L628-T630 HydrophobicContact CB-CG2 4.48Å; T630-V632 VanDerWaalsContact C-N 3.28Å; T630-V632 PolarHBondContact O-N 3.39Å; T630-P633 WeakPolarHBondContact OG1-CA 3.43Å; T630-F640 HydrophobicContact CG2-CE2 4.01Å
631A83.9Confident88.5Confident51 Ų5144.1 Ų44.142%0.42125%0.254SS..SBendtrans-64.8-31.3-179.600000113.2T565T565-A631 HydrophobicContact CG2-CB 4.23Å
632V87.3Confident88.6Confident53 Ų5344.5 Ų44.532%0.32126%0.255SS..SBendtrans-130.576.3-178.8-166.60000109.5C570 T630 S634 V635 L636C570-V632 HydrophobicContact CB-CG2 4.41Å; T630-V632 VanDerWaalsContact C-N 3.28Å; T630-V632 PolarHBondContact O-N 3.39Å; V632-S634 VanDerWaalsContact C-N 3.32Å; V632-S634 PolarHBondContact O-N 3.12Å; V632-V635 HydrophobicContact CG1-CB 3.97Å; V632-V635 HydrophobicContact CG1-CG2 3.77Å; V632-V635 PolarHBondContact O-N 3.45Å; V632-L636 PolarHBondContact O-N 3.05Å
633P85.5Confident88.8Confident66 Ų6637.5 Ų37.543%0.42922%0.223SC..Hα-helixtrans-67.9-28.9-17025.8-33.9000113.4T630 V635 K637T630-P633 WeakPolarHBondContact OG1-CA 3.43Å; P633-V635 PolarHBondContact O-N 3.42Å; P633-K637 HydrophobicContact CB-CD 4.17Å; P633-K637 HydrophobicContact CB-CG 4.34Å; P633-K637 VanDerWaalsContact O-CB 3.29Å; P633-K637 WeakPolarHBondContact O-CB 3.42Å; P633-K637 WeakPolarHBondContact O-CG 3.49Å; P633-K637 PolarHBondContact O-N 3.4Å
634S86.6Confident89.2Confident98 Ų9837 Ų3769%0.68522%0.219SC*.Hα-helixtrans-66.9-20.4177.954.30000113.7V632V632-S634 VanDerWaalsContact C-N 3.32Å; V632-S634 PolarHBondContact O-N 3.12Å
635V87.4Confident89.5Confident53 Ų5335.4 Ų35.432%0.32121%0.208SC..Hα-helixtrans-106.9-54.2-178179.20000110.6H574 V632 P633 K637 P638 D639H574-V635 HydrophobicContact CB-CG1 4.17Å; H574-V635 VanDerWaalsContact ND1-CG1 3.34Å; H574-V635 WeakPolarHBondContact ND1-CG1 3.39Å; V632-V635 HydrophobicContact CG1-CB 3.97Å; V632-V635 HydrophobicContact CG1-CG2 3.77Å; V632-V635 PolarHBondContact O-N 3.45Å; P633-V635 PolarHBondContact O-N 3.42Å; V635-K637 PolarHBondContact O-N 2.91Å; V635-P638 WeakPolarHBondContact O-CD 3.32Å; V635-D639 VanDerWaalsContact O-CG 3.28Å; V635-D639 PolarHBondContact O-N 3.48Å
636L90.8Very high89.9Confident1 Ų137 Ų371%0.00522%0.216CC..Hα-helixtrans-75.1-29.4-171.1-65.6176000113.7L573 H574 L577 V632 D639 F640L573-L636 HydrophobicContact CD2-CD1 4.37Å; L573-L636 HydrophobicContact CD2-CD2 4.19Å; L573-L636 HydrophobicContact CG-CD2 4.16Å; H574-L636 HydrophobicContact CB-CD2 4.22Å; L577-L636 HydrophobicContact CD1-CD2 4.22Å; V632-L636 PolarHBondContact O-N 3.05Å; L636-D639 PolarHBondContact O-N 3.43Å; L636-F640 HydrophobicContact CB-CD2 4.4Å; L636-F640 HydrophobicContact CB-CE2 3.99Å; L636-F640 WeakPolarHBondContact O-CD2 3.39Å; L636-F640 WeakPolarHBondContact O-CG 3.41Å; L636-F640 PolarHBondContact O-N 3Å
637K91.1Very high90.5Very high68 Ų6836.3 Ų36.330%0.29621%0.213SC..Hα-helixtrans-68.1-45.2178.9-68.6-168.9169.9-151.60112.5L628 P633 V635 D639 F640 T641L628-K637 WeakPolarHBondContact O-CE 3.37Å; L628-K637 PolarHBondContact O-NZ 3.25Å; P633-K637 HydrophobicContact CB-CD 4.17Å; P633-K637 HydrophobicContact CB-CG 4.34Å; P633-K637 VanDerWaalsContact O-CB 3.29Å; P633-K637 WeakPolarHBondContact O-CB 3.42Å; P633-K637 WeakPolarHBondContact O-CG 3.49Å; P633-K637 PolarHBondContact O-N 3.4Å; V635-K637 PolarHBondContact O-N 2.91Å; K637-D639 VanDerWaalsContact C-N 3.33Å; K637-D639 PolarHBondContact O-N 3.26Å; K637-F640 PolarHBondContact O-N 2.94Å; K637-T641 WeakPolarHBondContact O-CB 3.34Å; K637-T641 PolarHBondContact O-N 3.3Å; K637-T641 PolarHBondContact O-OG1 2.96Å
638P90.9Very high91Very high62 Ų6231.8 Ų31.840%0.40319%0.189SC..Hα-helixtrans-53.7-47.5167.9-28.434.8000112.6V635 F640 T641 D642V635-P638 WeakPolarHBondContact O-CD 3.32Å; P638-F640 PolarHBondContact O-N 3.19Å; P638-T641 CarbonylContact O-C 3.59Å; P638-T641 WeakPolarHBondContact O-CB 3.33Å; P638-T641 PolarHBondContact O-N 2.9Å; P638-T641 VanDerWaalsContact O-N 3.12Å; P638-D642 WeakPolarHBondContact O-CB 3.24Å; P638-D642 PolarHBondContact O-N 3.21Å
639D92.2Very high91.4Very high5 Ų533 Ų333%0.02720%0.2CC..Hα-helixtrans-59-45179.8-64.2-31.2000113.1H574 L577 R578 V635 L636 K637 T641 D642 V643H574-D639 IonicContact CE1-OD1 2.65Å; H574-D639 IonicContact CE1-OD2 3.28Å; H574-D639 IonicContact CG-OD2 3.69Å; H574-D639 VanDerWaalsContact ND1-CG 3.31Å; H574-D639 IonicContact ND1-OD1 2.86Å; H574-D639 PolarHBondContact ND1-OD1 3.29Å; H574-D639 IonicContact ND1-OD2 2.71Å; H574-D639 PolarHBondContact ND1-OD2 3.03Å; L577-D639 HydrophobicContact CB-CB 3.78Å; L577-D639 HydrophobicContact CD1-CB 3.6Å; L577-D639 HydrophobicContact CG-CB 4.33Å; R578-D639 VanDerWaalsContact CD-OD1 3.27Å; R578-D639 WeakPolarHBondContact CD-OD1 3.43Å; V635-D639 VanDerWaalsContact O-CG 3.28Å; V635-D639 PolarHBondContact O-N 3.48Å; L636-D639 PolarHBondContact O-N 3.43Å; K637-D639 VanDerWaalsContact C-N 3.33Å; K637-D639 PolarHBondContact O-N 3.26Å; D639-T641 VanDerWaalsContact C-N 3.32Å; D639-T641 PolarHBondContact O-N 3.11Å; D639-D642 PolarHBondContact O-N 3.39Å; D639-V643 WeakPolarHBondContact O-CG2 3.35Å; D639-V643 PolarHBondContact O-N 2.9Å
640F94.7Very high91.9Very high1 Ų127.9 Ų27.90%0.00418%0.176CC..Hα-helixtrans-64.8-38.1176.9-69.4-45.7000112.3Y546 L549 L562 L573 L577 L625 T630 L636 K637 P638 D642 H644Y546-F640 HydrophobicContact CE2-CD1 4.06Å; Y546-F640 HydrophobicContact CE2-CE1 4.49Å; L549-F640 HydrophobicContact CD1-CE1 3.61Å; L549-F640 HydrophobicContact CD1-CZ 4.16Å; L562-F640 HydrophobicContact CD2-CE2 4.18Å; L562-F640 HydrophobicContact CD2-CZ 3.87Å; L573-F640 HydrophobicContact CD2-CZ 4.23Å; L577-F640 HydrophobicContact CD1-CD1 3.72Å; L577-F640 HydrophobicContact CD1-CE1 3.44Å; L577-F640 VanDerWaalsContact CD1-CE1 3.44Å; L577-F640 HydrophobicContact CD1-CG 4.49Å; L577-F640 HydrophobicContact CD1-CZ 4.01Å; L577-F640 HydrophobicContact CD2-CD1 4.04Å; L577-F640 HydrophobicContact CD2-CE1 3.89Å; L577-F640 HydrophobicContact CG-CE1 4.33Å; L625-F640 HydrophobicContact CB-CB 4.11Å; L625-F640 HydrophobicContact CB-CD1 4.07Å; L625-F640 HydrophobicContact CB-CD2 4.28Å; L625-F640 HydrophobicContact CB-CG 3.91Å; L625-F640 HydrophobicContact CD1-CD1 3.87Å; L625-F640 HydrophobicContact CD1-CE1 4.01Å; T630-F640 HydrophobicContact CG2-CE2 4.01Å; L636-F640 HydrophobicContact CB-CD2 4.4Å; L636-F640 HydrophobicContact CB-CE2 3.99Å; L636-F640 WeakPolarHBondContact O-CD2 3.39Å; L636-F640 WeakPolarHBondContact O-CG 3.41Å; L636-F640 PolarHBondContact O-N 3Å; K637-F640 PolarHBondContact O-N 2.94Å; P638-F640 PolarHBondContact O-N 3.19Å; F640-D642 VanDerWaalsContact C-N 3.34Å; F640-H644 WeakPolarHBondContact O-CB 3.37Å; F640-H644 PolarHBondContact O-N 3.42Å
641T93.8Very high92.3Very high17 Ų1727.1 Ų27.110%0.10417%0.171CC..Hα-helixtrans-63.7-43.2174.9-55.10000110.1K637 P638 D639 A645 P693 K695 L696K637-T641 WeakPolarHBondContact O-CB 3.34Å; K637-T641 PolarHBondContact O-N 3.3Å; K637-T641 PolarHBondContact O-OG1 2.96Å; P638-T641 CarbonylContact O-C 3.59Å; P638-T641 WeakPolarHBondContact O-CB 3.33Å; P638-T641 PolarHBondContact O-N 2.9Å; P638-T641 VanDerWaalsContact O-N 3.12Å; D639-T641 VanDerWaalsContact C-N 3.32Å; D639-T641 PolarHBondContact O-N 3.11Å; T641-A645 WeakPolarHBondContact O-CB 3.44Å; T641-A645 PolarHBondContact O-N 3.02Å; T641-P693 HydrophobicContact CG2-CB 3.82Å; T641-P693 HydrophobicContact CG2-CG 4.25Å; T641-K695 HydrophobicContact CG2-CB 4.42Å; T641-L696 HydrophobicContact CG2-CD1 3.96Å; T641-L696 HydrophobicContact CG2-CG 3.82Å; T641-L696 WeakPolarHBondContact O-CD2 3.41Å
642D92.3Very high92.9Very high19 Ų1927 Ų2710%0.10216%0.162CC..Hα-helixtrans-67.2-49.3-179.6-78.4-8.9000112.7R578 P638 D639 F640 H644 A645 Q646 K695R578-D642 IonicContact NH1-OD2 3.81Å; R578-D642 PolarHBondContact NH1-OD2 3.23Å; P638-D642 WeakPolarHBondContact O-CB 3.24Å; P638-D642 PolarHBondContact O-N 3.21Å; D639-D642 PolarHBondContact O-N 3.39Å; F640-D642 VanDerWaalsContact C-N 3.34Å; D642-H644 VanDerWaalsContact C-N 3.27Å; D642-H644 PolarHBondContact O-N 2.87Å; D642-A645 PolarHBondContact O-N 2.6Å; D642-Q646 WeakPolarHBondContact O-CB 3.35Å; D642-Q646 VanDerWaalsContact O-CG 3.29Å; D642-Q646 WeakPolarHBondContact O-CG 3.46Å; D642-Q646 PolarHBondContact O-N 3.36Å; D642-K695 WeakPolarHBondContact OD1-CE 3.36Å; D642-K695 IonicContact OD1-NZ 3.57Å; D642-K695 PolarHBondContact OD1-NZ 3.11Å
643V95.5Very high93.3Very high0 Ų026.3 Ų26.30%016%0.162CC..Hα-helixtrans-56.9-45.2178167.90000110.6Y546 L577 L580 L584 D639 Q646 A647Y546-V643 HydrophobicContact CD1-CG1 4.37Å; Y546-V643 HydrophobicContact CD2-CG1 3.99Å; Y546-V643 HydrophobicContact CE1-CG1 4.09Å; Y546-V643 HydrophobicContact CE2-CB 4.26Å; Y546-V643 HydrophobicContact CE2-CG1 3.68Å; Y546-V643 HydrophobicContact CG-CG1 4.31Å; L577-V643 HydrophobicContact CB-CG2 3.98Å; L577-V643 HydrophobicContact CD2-CG2 4.06Å; L577-V643 WeakPolarHBondContact O-CG2 3.48Å; L580-V643 HydrophobicContact CB-CG2 4.27Å; L580-V643 HydrophobicContact CD2-CG1 3.55Å; L580-V643 HydrophobicContact CD2-CG2 4.32Å; L580-V643 HydrophobicContact CG-CG1 4.02Å; L580-V643 HydrophobicContact CG-CG2 4.36Å; L584-V643 HydrophobicContact CD1-CG1 4.23Å; L584-V643 WeakPolarHBondContact CD1-O 3.48Å; D639-V643 WeakPolarHBondContact O-CG2 3.35Å; D639-V643 PolarHBondContact O-N 2.9Å; V643-Q646 PolarHBondContact O-N 3.37Å; V643-A647 WeakPolarHBondContact O-CB 3.46Å; V643-A647 PolarHBondContact O-N 3.4Å
644H95.4Very high93.8Very high2 Ų223.2 Ų23.21%0.00914%0.141CC..Hα-helixtrans-71.4-39.6-178.9-172.5-171.7000112T617 S621 F640 D642 Q646 A647 L648 L696T617-H644 PolarHBondContact O-NE2 2.87Å; S621-H644 PolarHBondContact N-CE1 3.02Å; S621-H644 VanDerWaalsContact N-CE1 3.29Å; S621-H644 PolarHBondContact OG-CE1 3.24Å; S621-H644 PolarHBondContact OG-NE2 3.35Å; F640-H644 WeakPolarHBondContact O-CB 3.37Å; F640-H644 PolarHBondContact O-N 3.42Å; D642-H644 VanDerWaalsContact C-N 3.27Å; D642-H644 PolarHBondContact O-N 2.87Å; H644-Q646 PolarHBondContact O-N 3.43Å; H644-A647 PolarHBondContact O-N 3.1Å; H644-L648 WeakPolarHBondContact O-CG 3.4Å; H644-L648 PolarHBondContact O-N 3.22Å; H644-L648 VanDerWaalsContact O-N 3.14Å; H644-L696 HydrophobicContact CB-CD2 3.66Å
645A95Very high94.2Very high1 Ų119 Ų191%0.00811%0.112CC..Hα-helixtrans-61.7-43.8173.900000111.6T641 D642 L648 A649 K695 L696T641-A645 WeakPolarHBondContact O-CB 3.44Å; T641-A645 PolarHBondContact O-N 3.02Å; D642-A645 PolarHBondContact O-N 2.6Å; A645-L648 WeakPolarHBondContact O-CB 3.46Å; A645-L648 PolarHBondContact O-N 3.19Å; A645-A649 WeakPolarHBondContact O-CB 3.33Å; A645-A649 PolarHBondContact O-N 3.21Å; A645-K695 HydrophobicContact CB-CD 4.29Å; A645-K695 HydrophobicContact CB-CG 3.94Å; A645-L696 HydrophobicContact CB-CD2 3.92Å; A645-L696 VanDerWaalsContact N-CD2 3.29Å
646Q95.1Very high94.5Very high36 Ų3622 Ų2217%0.16812%0.122CC..Hα-helixtrans-70.6-30.3177.9-66.1-56.3-14.300112.9S581 L584 Q585 D642 V643 H644 A649 A650S581-Q646 WeakPolarHBondContact OG-CG 3.33Å; L584-Q646 HydrophobicContact CB-CB 4.02Å; L584-Q646 HydrophobicContact CD1-CB 4.23Å; Q585-Q646 VanDerWaalsContact CG-CD 3.49Å; Q585-Q646 HydrophobicContact CG-CG 4.1Å; D642-Q646 WeakPolarHBondContact O-CB 3.35Å; D642-Q646 VanDerWaalsContact O-CG 3.29Å; D642-Q646 WeakPolarHBondContact O-CG 3.46Å; D642-Q646 PolarHBondContact O-N 3.36Å; V643-Q646 PolarHBondContact O-N 3.37Å; H644-Q646 PolarHBondContact O-N 3.43Å; Q646-A649 PolarHBondContact O-N 3.43Å; Q646-A650 WeakPolarHBondContact O-CB 3.48Å; Q646-A650 PolarHBondContact O-N 3.13Å
647A96.6Very high94.7Very high0 Ų022 Ų220%012%0.122CC..Hα-helixtrans-63.9-43.4172.300000111.3L584 V616 V643 H644 L651L584-A647 HydrophobicContact CD1-CB 4.12Å; V616-A647 HydrophobicContact CG1-CB 3.95Å; V643-A647 WeakPolarHBondContact O-CB 3.46Å; V643-A647 PolarHBondContact O-N 3.4Å; H644-A647 PolarHBondContact O-N 3.1Å; A647-L651 WeakPolarHBondContact O-CB 3.27Å; A647-L651 PolarHBondContact O-N 3.33Å
648L96.6Very high94.9Very high0 Ų019 Ų190%011%0.11CC..Hα-helixtrans-62.9-46.1174.1-71.9161.5000111.8T617 H644 A645 L651 Q652 L687 L696 A700 L703T617-L648 HydrophobicContact CG2-CD2 3.32Å; T617-L648 HydrophobicContact CG2-CG 3.94Å; H644-L648 WeakPolarHBondContact O-CG 3.4Å; H644-L648 PolarHBondContact O-N 3.22Å; H644-L648 VanDerWaalsContact O-N 3.14Å; A645-L648 WeakPolarHBondContact O-CB 3.46Å; A645-L648 PolarHBondContact O-N 3.19Å; L648-L651 PolarHBondContact O-N 3.12Å; L648-Q652 WeakPolarHBondContact O-CB 3.25Å; L648-Q652 PolarHBondContact O-N 3.21Å; L648-L687 HydrophobicContact CD1-CD1 3.67Å; L648-L687 HydrophobicContact CD2-CD1 4.48Å; L648-L696 HydrophobicContact CD1-CD2 4.37Å; L648-A700 HydrophobicContact CD1-CB 4.25Å; L648-L703 HydrophobicContact CD2-CD2 3.68Å
649A95.8Very high94.9Very high31 Ų3117.6 Ų17.626%0.25610%0.1SC..Hα-helixtrans-66.4-40.2178.900000112.4A645 Q646 Q652 A653A645-A649 WeakPolarHBondContact O-CB 3.33Å; A645-A649 PolarHBondContact O-N 3.21Å; Q646-A649 PolarHBondContact O-N 3.43Å; A649-Q652 WeakPolarHBondContact O-CB 3.46Å; A649-Q652 PolarHBondContact O-N 2.88Å; A649-A653 PolarHBondContact O-N 3.47Å; A649-A653 VanDerWaalsContact O-N 3.08Å
650A95.9Very high94.9Very high3 Ų319.4 Ų19.43%0.02511%0.108CC..Hα-helixtrans-62.9-44.5173.900000110.8L584 L613 Q646 Q652 A653 Y654L584-A650 HydrophobicContact CB-CB 4.45Å; L584-A650 WeakPolarHBondContact O-CB 3.43Å; L613-A650 HydrophobicContact CD1-CB 4.11Å; L613-A650 HydrophobicContact CD2-CB 3.8Å; Q646-A650 WeakPolarHBondContact O-CB 3.48Å; Q646-A650 PolarHBondContact O-N 3.13Å; A650-Q652 VanDerWaalsContact C-N 3.3Å; A650-Q652 PolarHBondContact O-N 3.13Å; A650-A653 WeakPolarHBondContact O-CB 3.31Å; A650-A653 PolarHBondContact O-N 3.39Å; A650-Y654 WeakPolarHBondContact O-CD2 3.28Å
651L96.5Very high94.7Very high2 Ų219.6 Ų19.61%0.0111%0.109CC..Hα-helixtrans-62.8-37.5175.6-176.857.3000112.1V610 L613 V614 A647 L648 A653 Y654 A680 L703V610-L651 HydrophobicContact CG1-CD1 4.14Å; L613-L651 HydrophobicContact CB-CB 4.28Å; L613-L651 HydrophobicContact CB-CD1 4.2Å; V614-L651 HydrophobicContact CG2-CD1 3.85Å; V614-L651 HydrophobicContact CG2-CD2 3.88Å; A647-L651 WeakPolarHBondContact O-CB 3.27Å; A647-L651 PolarHBondContact O-N 3.33Å; L648-L651 PolarHBondContact O-N 3.12Å; L651-A653 VanDerWaalsContact C-N 3.31Å; L651-A653 PolarHBondContact O-N 3.45Å; L651-Y654 PolarHBondContact O-N 3.16Å; L651-A680 HydrophobicContact CD2-CB 3.86Å; L651-L703 HydrophobicContact CB-CD1 4.46Å; L651-L703 HydrophobicContact CD2-CD1 4.48Å; L651-L703 HydrophobicContact CD2-CD2 3.86Å; L651-L703 HydrophobicContact CG-CD1 4.11Å; L651-L703 HydrophobicContact CG-CD2 4.3Å
652Q96.3Very high94.5Very high50 Ų5020.9 Ų20.923%0.23411%0.112CC..Hα-helixtrans-60-40.1175.2-175.4-161-12.500111.9L648 A649 A650 Y654 S655 L703 S706L648-Q652 WeakPolarHBondContact O-CB 3.25Å; L648-Q652 PolarHBondContact O-N 3.21Å; A649-Q652 WeakPolarHBondContact O-CB 3.46Å; A649-Q652 PolarHBondContact O-N 2.88Å; A650-Q652 VanDerWaalsContact C-N 3.3Å; A650-Q652 PolarHBondContact O-N 3.13Å; Q652-Y654 PolarHBondContact O-N 2.62Å; Q652-S655 WeakPolarHBondContact O-CB 3.22Å; Q652-S655 PolarHBondContact O-N 3.15Å; Q652-S655 PolarHBondContact O-OG 3.1Å; Q652-L703 HydrophobicContact CB-CB 4.48Å; Q652-L703 HydrophobicContact CB-CD1 4.01Å; Q652-S706 WeakPolarHBondContact CG-OG 3.32Å; Q652-S706 PolarHBondContact NE2-OG 3.32Å
653A95.4Very high94.2Very high37 Ų3722.9 Ų22.931%0.30613%0.127SC..Hα-helixtrans-59.8-29.517900000112.9G588 A591 A649 A650 L651 S655G588-A653 VanDerWaalsContact O-CB 3.29Å; G588-A653 WeakPolarHBondContact O-CB 3.27Å; A591-A653 HydrophobicContact CB-CB 4.07Å; A591-A653 VanDerWaalsContact CB-O 3.3Å; A591-A653 WeakPolarHBondContact CB-O 3.16Å; A649-A653 PolarHBondContact O-N 3.47Å; A649-A653 VanDerWaalsContact O-N 3.08Å; A650-A653 WeakPolarHBondContact O-CB 3.31Å; A650-A653 PolarHBondContact O-N 3.39Å; L651-A653 VanDerWaalsContact C-N 3.31Å; L651-A653 PolarHBondContact O-N 3.45Å; A653-S655 PolarHBondContact O-N 3.23Å
654Y96.2Very high93.6Very high1 Ų126.9 Ų26.90%0.00415%0.146CC..THydrogen-bonded Turntrans-818.5176.4-75.4-100.4000114V587 A591 F594 V609 V610 L613 A650 L651 Q652 H656 W657 L658V587-Y654 HydrophobicContact CG1-CE2 4.22Å; V587-Y654 WeakPolarHBondContact O-CE2 3.35Å; V587-Y654 PolarHBondContact O-OH 3.05Å; A591-Y654 HydrophobicContact CB-CD1 4.19Å; A591-Y654 HydrophobicContact CB-CD2 3.85Å; A591-Y654 HydrophobicContact CB-CE1 4.19Å; A591-Y654 HydrophobicContact CB-CE2 3.84Å; A591-Y654 HydrophobicContact CB-CG 4.01Å; F594-Y654 AromaticContact CD2-CE1 3.8Å; F594-Y654 HydrophobicContact CD2-CE1 3.8Å; F594-Y654 HydrophobicContact CE2-CE1 4.25Å; F594-Y654 WeakPolarHBondContact CE2-OH 3.34Å; V609-Y654 HydrophobicContact CG1-CE1 4.27Å; V609-Y654 HydrophobicContact CG1-CE2 4.06Å; V610-Y654 HydrophobicContact CG2-CD1 3.57Å; V610-Y654 HydrophobicContact CG2-CE1 4.29Å; V610-Y654 HydrophobicContact CG2-CG 3.77Å; L613-Y654 HydrophobicContact CD1-CD2 4.01Å; L613-Y654 HydrophobicContact CD1-CE2 4.08Å; A650-Y654 WeakPolarHBondContact O-CD2 3.28Å; L651-Y654 PolarHBondContact O-N 3.16Å; Q652-Y654 PolarHBondContact O-N 2.62Å; Y654-H656 VanDerWaalsContact C-N 3.33Å; Y654-H656 PolarHBondContact O-N 3.27Å; Y654-W657 HydrophobicContact CD1-CB 4.21Å; Y654-W657 HydrophobicContact CD1-CG 4.37Å; Y654-W657 WeakPolarHBondContact O-CB 3.31Å; Y654-W657 PolarHBondContact O-N 3.41Å; Y654-W657 VanDerWaalsContact O-N 3.11Å; Y654-L658 WeakPolarHBondContact O-CG 3.49Å; Y654-L658 PolarHBondContact O-N 3.08Å
655S94.9Very high92.7Very high9 Ų928.4 Ų28.46%0.06316%0.156CC..Hα-helixtrans-57.3-40.6179.455.80000113.7Q652 A653 L658 T659 V711Q652-S655 WeakPolarHBondContact O-CB 3.22Å; Q652-S655 PolarHBondContact O-N 3.15Å; Q652-S655 PolarHBondContact O-OG 3.1Å; A653-S655 PolarHBondContact O-N 3.23Å; S655-L658 WeakPolarHBondContact O-CB 3.44Å; S655-L658 PolarHBondContact O-N 3.49Å; S655-T659 PolarHBondContact O-N 3.47Å; S655-T659 PolarHBondContact O-OG1 3.31Å; S655-T659 VanDerWaalsContact O-OG1 3.1Å; S655-V711 WeakPolarHBondContact O-CG2 3.11Å
656H94.4Very high91.2Very high116 Ų11635.7 Ų35.754%0.53719%0.189SC..Hα-helixtrans-66.6-37.9175.4-70.7-69.6000112.8I595 Y654 T659 Q660I595-H656 HydrophobicContact CG2-CB 4.48Å; Y654-H656 VanDerWaalsContact C-N 3.33Å; Y654-H656 PolarHBondContact O-N 3.27Å; H656-T659 WeakPolarHBondContact O-CB 2.77Å; H656-T659 PolarHBondContact O-N 3.11Å; H656-Q660 PolarHBondContact O-N 2.8Å; H656-Q660 VanDerWaalsContact O-N 3.07Å
657W94.9Very high89.4Confident1 Ų139.1 Ų39.10%0.00422%0.217CC..Hα-helixtrans-64.1-42.3173.5-179.188.5000111.3I595 F599 F603 A606 L607 V610 Y654 T659 Q660 F661I595-W657 HydrophobicContact CG2-CB 3.85Å; F599-W657 AromaticContact CD2-CD1 3.62Å; F599-W657 AromaticContact CD2-NE1 3.58Å; F599-W657 AromaticContact CE2-CD1 3.49Å; F599-W657 VanDerWaalsContact CE2-CD1 3.49Å; F599-W657 HydrophobicContact CE2-CD2 4.3Å; F599-W657 AromaticContact CE2-CE2 3.8Å; F599-W657 HydrophobicContact CE2-CG 4.13Å; F599-W657 HydrophobicContact CE2-CZ2 4.47Å; F599-W657 AromaticContact CE2-NE1 3.24Å; F603-W657 AromaticContact CD2-CZ2 3.82Å; F603-W657 HydrophobicContact CD2-CZ2 3.82Å; F603-W657 HydrophobicContact CE2-CH2 4.13Å; F603-W657 AromaticContact CE2-CZ2 3.71Å; F603-W657 HydrophobicContact CE2-CZ2 3.71Å; A606-W657 HydrophobicContact CB-CD2 4.27Å; A606-W657 VanDerWaalsContact CB-CE2 3.49Å; A606-W657 HydrophobicContact CB-CZ2 3.76Å; A606-W657 VanDerWaalsContact CB-NE1 3.27Å; L607-W657 HydrophobicContact CB-CH2 4.06Å; L607-W657 HydrophobicContact CB-CZ2 4.25Å; L607-W657 HydrophobicContact CD1-CH2 4.03Å; V610-W657 HydrophobicContact CB-CZ3 4.14Å; V610-W657 HydrophobicContact CG1-CZ3 4.23Å; V610-W657 HydrophobicContact CG2-CE3 3.84Å; V610-W657 HydrophobicContact CG2-CZ3 3.79Å; Y654-W657 HydrophobicContact CD1-CB 4.21Å; Y654-W657 HydrophobicContact CD1-CG 4.37Å; Y654-W657 WeakPolarHBondContact O-CB 3.31Å; Y654-W657 PolarHBondContact O-N 3.41Å; Y654-W657 VanDerWaalsContact O-N 3.11Å; W657-T659 VanDerWaalsContact C-N 3.3Å; W657-T659 PolarHBondContact O-N 3.15Å; W657-Q660 PolarHBondContact O-N 3.37Å; W657-F661 AromaticContact CH2-CD1 3.95Å; W657-F661 HydrophobicContact CH2-CD1 3.95Å; W657-F661 HydrophobicContact CH2-CG 4.39Å; W657-F661 HydrophobicContact CZ3-CB 4.45Å; W657-F661 AromaticContact CZ3-CD1 3.96Å; W657-F661 HydrophobicContact CZ3-CD1 3.96Å; W657-F661 WeakPolarHBondContact O-CB 3.34Å; W657-F661 PolarHBondContact O-N 3Å
658L94.1Very high87.4Confident7 Ų747.1 Ų47.14%0.03725%0.254CS..Hα-helixtrans-61.6-36174.3-72.2169.7000112.2V610 Y654 S655 F661 Y662 F673 I677 V711V610-L658 HydrophobicContact CG1-CD2 4.28Å; Y654-L658 WeakPolarHBondContact O-CG 3.49Å; Y654-L658 PolarHBondContact O-N 3.08Å; S655-L658 WeakPolarHBondContact O-CB 3.44Å; S655-L658 PolarHBondContact O-N 3.49Å; L658-F661 PolarHBondContact O-N 3.36Å; L658-Y662 WeakPolarHBondContact O-CB 3.33Å; L658-Y662 PolarHBondContact O-N 2.95Å; L658-F673 HydrophobicContact CD2-CE2 4.38Å; L658-F673 WeakPolarHBondContact O-CE2 3.16Å; L658-I677 HydrophobicContact CD1-CD1 4.03Å; L658-I677 HydrophobicContact CD2-CD1 4.33Å; L658-V711 HydrophobicContact CB-CG1 4.32Å; L658-V711 HydrophobicContact CB-CG2 3.74Å; L658-V711 HydrophobicContact CD1-CG2 4.48Å
659T92.4Very high86.4Confident32 Ų3250.3 Ų50.320%0.19627%0.272CS..Hα-helixtrans-66.2-43.8174.3-58.30000112.2S655 H656 W657 Y662 S663 T710 V711S655-T659 PolarHBondContact O-N 3.47Å; S655-T659 PolarHBondContact O-OG1 3.31Å; S655-T659 VanDerWaalsContact O-OG1 3.1Å; H656-T659 WeakPolarHBondContact O-CB 2.77Å; H656-T659 PolarHBondContact O-N 3.11Å; W657-T659 VanDerWaalsContact C-N 3.3Å; W657-T659 PolarHBondContact O-N 3.15Å; T659-Y662 PolarHBondContact O-N 2.94Å; T659-S663 PolarHBondContact O-N 3.33Å; T659-S663 PolarHBondContact O-OG 2.97Å; T659-T710 WeakPolarHBondContact CG2-O 3.37Å; T659-T710 PolarHBondContact OG1-O 3.25Å; T659-V711 WeakPolarHBondContact OG1-CA 3.29Å; T659-V711 PolarHBondContact OG1-N 2.99Å
660Q90.9Very high85.8Confident43 Ų4354 Ų5420%0.20128%0.283CS..Hα-helixtrans-65.6-41.6175.7-172.6168.9-4.300110.7G596 F599 H656 W657 Y662 S663 E664G596-Q660 PolarHBondContact O-NE2 3.39Å; F599-Q660 HydrophobicContact CD1-CG 4.05Å; F599-Q660 HydrophobicContact CD2-CB 4.08Å; F599-Q660 VanDerWaalsContact CD2-CD 3.48Å; F599-Q660 HydrophobicContact CD2-CG 3.76Å; F599-Q660 HydrophobicContact CE1-CG 4.16Å; F599-Q660 HydrophobicContact CE2-CB 3.89Å; F599-Q660 HydrophobicContact CE2-CG 3.86Å; F599-Q660 HydrophobicContact CG-CG 3.88Å; F599-Q660 VanDerWaalsContact CG-NE2 3.26Å; F599-Q660 HydrophobicContact CZ-CB 4.36Å; F599-Q660 HydrophobicContact CZ-CG 4.08Å; H656-Q660 PolarHBondContact O-N 2.8Å; H656-Q660 VanDerWaalsContact O-N 3.07Å; W657-Q660 PolarHBondContact O-N 3.37Å; Q660-Y662 PolarHBondContact O-N 3.16Å; Q660-S663 PolarHBondContact O-N 3.5Å; Q660-S663 VanDerWaalsContact O-N 3.14Å; Q660-E664 WeakPolarHBondContact CG-OE1 3.43Å; Q660-E664 PolarHBondContact NE2-OE1 3.4Å; Q660-E664 PolarHBondContact O-N 2.88Å
661F91.3Very high85.3Confident4 Ų457.5 Ų57.52%0.01831%0.308CS..Hα-helixtrans-58.3-48.4173-177.3-156.4000111.3F599 F603 W657 L658 S663 E664 V665 N669 F673 L676F599-F661 HydrophobicContact CE2-CB 4.44Å; F599-F661 HydrophobicContact CZ-CB 4Å; F603-F661 HydrophobicContact CE2-CB 4.48Å; F603-F661 HydrophobicContact CE2-CD1 4.44Å; F603-F661 AromaticContact CE2-CD2 3.51Å; F603-F661 HydrophobicContact CE2-CD2 3.51Å; F603-F661 AromaticContact CE2-CE2 3.77Å; F603-F661 HydrophobicContact CE2-CE2 3.77Å; F603-F661 AromaticContact CE2-CG 3.91Å; F603-F661 HydrophobicContact CE2-CG 3.91Å; F603-F661 HydrophobicContact CE2-CZ 4.35Å; F603-F661 AromaticContact CZ-CD2 3.76Å; F603-F661 HydrophobicContact CZ-CD2 3.76Å; F603-F661 HydrophobicContact CZ-CE1 4.39Å; F603-F661 AromaticContact CZ-CE2 3.48Å; F603-F661 HydrophobicContact CZ-CE2 3.48Å; F603-F661 VanDerWaalsContact CZ-CE2 3.48Å; F603-F661 HydrophobicContact CZ-CG 4.36Å; F603-F661 AromaticContact CZ-CZ 3.84Å; F603-F661 HydrophobicContact CZ-CZ 3.84Å; W657-F661 AromaticContact CH2-CD1 3.95Å; W657-F661 HydrophobicContact CH2-CD1 3.95Å; W657-F661 HydrophobicContact CH2-CG 4.39Å; W657-F661 HydrophobicContact CZ3-CB 4.45Å; W657-F661 AromaticContact CZ3-CD1 3.96Å; W657-F661 HydrophobicContact CZ3-CD1 3.96Å; W657-F661 WeakPolarHBondContact O-CB 3.34Å; W657-F661 PolarHBondContact O-N 3Å; L658-F661 PolarHBondContact O-N 3.36Å; F661-S663 PolarHBondContact O-N 2.67Å; F661-E664 PolarHBondContact O-N 2.69Å; F661-E664 VanDerWaalsContact O-N 3.16Å; F661-V665 HydrophobicContact CD2-CG2 3.71Å; F661-V665 HydrophobicContact CE2-CG2 3.59Å; F661-V665 HydrophobicContact CG-CG2 4.44Å; F661-V665 HydrophobicContact CZ-CG2 4.24Å; F661-V665 WeakPolarHBondContact O-CG2 3.33Å; F661-V665 PolarHBondContact O-N 3.32Å; F661-N669 HydrophobicContact CE2-CB 4.11Å; F661-N669 HydrophobicContact CZ-CB 4.29Å; F661-F673 HydrophobicContact CD1-CB 4.37Å; F661-F673 AromaticContact CD1-CD2 3.58Å; F661-F673 HydrophobicContact CD1-CD2 3.58Å; F661-F673 HydrophobicContact CD1-CE2 4.41Å; F661-F673 HydrophobicContact CD1-CG 4.45Å; F661-F673 HydrophobicContact CE1-CB 3.8Å; F661-F673 AromaticContact CE1-CD2 3.86Å; F661-F673 HydrophobicContact CE1-CD2 3.86Å; F661-F673 HydrophobicContact CE1-CG 4.34Å; F661-F673 HydrophobicContact CG-CD2 4.15Å; F661-F673 HydrophobicContact CZ-CB 3.99Å; F661-L676 HydrophobicContact CE1-CD1 4.26Å
662Y89.8Confident85Confident44 Ų4460 Ų6017%0.17332%0.319CS..Hα-helixtrans-58-35.5176.7-172.9-128.3000113.2L658 T659 Q660 F673 V714 P759L658-Y662 WeakPolarHBondContact O-CB 3.33Å; L658-Y662 PolarHBondContact O-N 2.95Å; T659-Y662 PolarHBondContact O-N 2.94Å; Q660-Y662 PolarHBondContact O-N 3.16Å; Y662-F673 AromaticContact CD2-CD1 3.75Å; Y662-F673 HydrophobicContact CD2-CD1 3.75Å; Y662-F673 AromaticContact CD2-CE1 3.22Å; Y662-F673 HydrophobicContact CD2-CE1 3.22Å; Y662-F673 HydrophobicContact CD2-CE2 4.38Å; Y662-F673 AromaticContact CD2-CZ 3.59Å; Y662-F673 HydrophobicContact CD2-CZ 3.59Å; Y662-F673 HydrophobicContact CE2-CD1 4.34Å; Y662-F673 AromaticContact CE2-CE1 3.84Å; Y662-F673 HydrophobicContact CE2-CE1 3.84Å; Y662-F673 AromaticContact CG-CE1 3.89Å; Y662-F673 HydrophobicContact CG-CE1 3.89Å; Y662-F673 HydrophobicContact CG-CE2 4.44Å; Y662-F673 AromaticContact CG-CZ 3.75Å; Y662-F673 HydrophobicContact CG-CZ 3.75Å; Y662-V714 WeakPolarHBondContact OH-CG2 3.33Å; Y662-P759 HydrophobicContact CD1-CG 3.92Å; Y662-P759 HydrophobicContact CE1-CG 3.78Å
663S85.4Confident84.7Confident61 Ų6157.7 Ų57.743%0.42731%0.309SS..Hα-helixtrans-74-32179.4-56.20000113.2T659 Q660 F661T659-S663 PolarHBondContact O-N 3.33Å; T659-S663 PolarHBondContact O-OG 2.97Å; Q660-S663 PolarHBondContact O-N 3.5Å; Q660-S663 VanDerWaalsContact O-N 3.14Å; F661-S663 PolarHBondContact O-N 2.67Å
664E83.1Confident84.6Confident85 Ų8558.5 Ų58.540%0.39731%0.307SS..Hα-helixtrans-94.6-0.9-180-65-176.3-153.400113.4F599 Q660 F661 H666F599-E664 WeakPolarHBondContact CD1-OE1 3.49Å; F599-E664 VanDerWaalsContact CD1-OE2 3.27Å; F599-E664 WeakPolarHBondContact CD1-OE2 3.17Å; F599-E664 HydrophobicContact CE1-CB 4.44Å; F599-E664 VanDerWaalsContact CE1-CD 3.48Å; F599-E664 HydrophobicContact CE1-CG 4.41Å; F599-E664 WeakPolarHBondContact CE1-OE2 3.31Å; Q660-E664 WeakPolarHBondContact CG-OE1 3.43Å; Q660-E664 PolarHBondContact NE2-OE1 3.4Å; Q660-E664 PolarHBondContact O-N 2.88Å; F661-E664 PolarHBondContact O-N 2.69Å; F661-E664 VanDerWaalsContact O-N 3.16Å; E664-H666 PolarHBondContact O-N 3.09Å; E664-H666 PolarHBondContact O-ND1 3.05Å
665V76.3Confident84.4Confident34 Ų3463.2 Ų63.221%0.20633%0.332CS..  trans-63104.71771650000110.2F661 Q670 F673F661-V665 HydrophobicContact CD2-CG2 3.71Å; F661-V665 HydrophobicContact CE2-CG2 3.59Å; F661-V665 HydrophobicContact CG-CG2 4.44Å; F661-V665 HydrophobicContact CZ-CG2 4.24Å; F661-V665 WeakPolarHBondContact O-CG2 3.33Å; F661-V665 PolarHBondContact O-N 3.32Å; V665-Q670 HydrophobicContact CG1-CB 3.75Å; V665-Q670 HydrophobicContact CG1-CG 4.11Å; V665-F673 HydrophobicContact CG2-CB 4.1Å; V665-F673 HydrophobicContact CG2-CG 4.38Å
666H62.7Low84.4Confident153 Ų15363.4 Ų63.471%0.70833%0.333SS*.  trans-86.4166.7161.3-62.376000109.3E664 Q668 N669E664-H666 PolarHBondContact O-N 3.09Å; E664-H666 PolarHBondContact O-ND1 3.05Å; H666-Q668 PolarHBondContact O-N 3.23Å; H666-N669 PolarHBondContact O-N 2.95Å; H666-N669 VanDerWaalsContact O-N 3.15Å
667S57.7Low84.4Confident108 Ų10858 Ų5876%0.75531%0.308SS*.THydrogen-bonded Turntrans-50.9-16.8-171.659.10000116.8
668Q56.1Low84.5Confident168 Ų16859.3 Ų59.379%0.78532%0.316SS*.THydrogen-bonded Turntrans-82.6-30.1-179.1-67.2-175.4-11.200114.9H666H666-Q668 PolarHBondContact O-N 3.23Å
669N75.1Confident84.6Confident68 Ų6861 Ų6136%0.36433%0.328SS..THydrogen-bonded Turntrans-108.86.7-175.3-68.9-14.7000113.9F661 H666 S671 Q672 F673F661-N669 HydrophobicContact CE2-CB 4.11Å; F661-N669 HydrophobicContact CZ-CB 4.29Å; H666-N669 PolarHBondContact O-N 2.95Å; H666-N669 VanDerWaalsContact O-N 3.15Å; N669-S671 PolarHBondContact O-N 3.43Å; N669-Q672 PolarHBondContact O-N 3.37Å; N669-F673 PolarHBondContact O-N 2.45Å
670Q82.6Confident84.7Confident107 Ų10759.7 Ų59.750%0.532%0.321SS..Hα-helixtrans-63.9-38.8-175.3-169.91796.300112.8V665 I674V665-Q670 HydrophobicContact CG1-CB 3.75Å; V665-Q670 HydrophobicContact CG1-CG 4.11Å; Q670-I674 HydrophobicContact CG-CD1 3.91Å; Q670-I674 WeakPolarHBondContact O-CB 3.48Å; Q670-I674 WeakPolarHBondContact O-CD1 3.36Å; Q670-I674 WeakPolarHBondContact O-CG1 3.16Å; Q670-I674 PolarHBondContact O-N 3.34Å
671S85.6Confident84.9Confident77 Ų7757.6 Ų57.654%0.53831%0.311SS..Hα-helixtrans-65.3-40.8178.555.20000112.2N669 I674 N675N669-S671 PolarHBondContact O-N 3.43Å; S671-I674 PolarHBondContact O-N 2.87Å; S671-N675 WeakPolarHBondContact O-CB 3.48Å; S671-N675 PolarHBondContact O-N 2.97Å; S671-N675 PolarHBondContact O-ND2 3.44Å
672Q89.4Confident85.1Confident55 Ų5561 Ų6126%0.25733%0.33SS..Hα-helixtrans-65-46.1179.6-169.8174.120.900111.3E611 N669 I674 N675 L676E611-Q672 PolarHBondContact OE1-NE2 2.69Å; N669-Q672 PolarHBondContact O-N 3.37Å; Q672-I674 PolarHBondContact O-N 3.39Å; Q672-N675 PolarHBondContact O-N 3.02Å; Q672-L676 WeakPolarHBondContact O-CG 3.14Å; Q672-L676 PolarHBondContact O-N 3.24Å
673F91.3Very high85.2Confident2 Ų259.1 Ų59.11%0.00932%0.323CS..Hα-helixtrans-59.6-47.3175177.4-96.1000112.2L658 F661 Y662 V665 N669 N675 L676 I677 V711 P713 F715L658-F673 HydrophobicContact CD2-CE2 4.38Å; L658-F673 WeakPolarHBondContact O-CE2 3.16Å; F661-F673 HydrophobicContact CD1-CB 4.37Å; F661-F673 AromaticContact CD1-CD2 3.58Å; F661-F673 HydrophobicContact CD1-CD2 3.58Å; F661-F673 HydrophobicContact CD1-CE2 4.41Å; F661-F673 HydrophobicContact CD1-CG 4.45Å; F661-F673 HydrophobicContact CE1-CB 3.8Å; F661-F673 AromaticContact CE1-CD2 3.86Å; F661-F673 HydrophobicContact CE1-CD2 3.86Å; F661-F673 HydrophobicContact CE1-CG 4.34Å; F661-F673 HydrophobicContact CG-CD2 4.15Å; F661-F673 HydrophobicContact CZ-CB 3.99Å; Y662-F673 AromaticContact CD2-CD1 3.75Å; Y662-F673 HydrophobicContact CD2-CD1 3.75Å; Y662-F673 AromaticContact CD2-CE1 3.22Å; Y662-F673 HydrophobicContact CD2-CE1 3.22Å; Y662-F673 HydrophobicContact CD2-CE2 4.38Å; Y662-F673 AromaticContact CD2-CZ 3.59Å; Y662-F673 HydrophobicContact CD2-CZ 3.59Å; Y662-F673 HydrophobicContact CE2-CD1 4.34Å; Y662-F673 AromaticContact CE2-CE1 3.84Å; Y662-F673 HydrophobicContact CE2-CE1 3.84Å; Y662-F673 AromaticContact CG-CE1 3.89Å; Y662-F673 HydrophobicContact CG-CE1 3.89Å; Y662-F673 HydrophobicContact CG-CE2 4.44Å; Y662-F673 AromaticContact CG-CZ 3.75Å; Y662-F673 HydrophobicContact CG-CZ 3.75Å; V665-F673 HydrophobicContact CG2-CB 4.1Å; V665-F673 HydrophobicContact CG2-CG 4.38Å; N669-F673 PolarHBondContact O-N 2.45Å; F673-N675 VanDerWaalsContact C-N 3.29Å; F673-N675 PolarHBondContact O-N 3.46Å; F673-L676 PolarHBondContact O-N 2.6Å; F673-I677 HydrophobicContact CD1-CG1 4.46Å; F673-I677 HydrophobicContact CD2-CG1 4.48Å; F673-I677 HydrophobicContact CE1-CG1 3.92Å; F673-I677 HydrophobicContact CE2-CD1 4.28Å; F673-I677 HydrophobicContact CE2-CG1 3.96Å; F673-I677 HydrophobicContact CZ-CD1 4.16Å; F673-I677 HydrophobicContact CZ-CG1 3.64Å; F673-I677 PolarHBondContact O-N 2.74Å; F673-I677 VanDerWaalsContact O-N 3.13Å; F673-V711 HydrophobicContact CE2-CG1 4.25Å; F673-V711 HydrophobicContact CZ-CG1 3.69Å; F673-P713 HydrophobicContact CE1-CB 4.3Å; F673-F715 HydrophobicContact CD1-CE1 4.39Å; F673-F715 HydrophobicContact CE1-CE1 4.14Å; F673-F715 HydrophobicContact CE1-CZ 4.35Å
674I91.8Very high85.7Confident54 Ų5456.2 Ų56.228%0.27730%0.303SS..Hα-helixtrans-58.4-43.8177.8-69.6167.5000110.5Q670 S671 Q672 T678 F715Q670-I674 HydrophobicContact CG-CD1 3.91Å; Q670-I674 WeakPolarHBondContact O-CB 3.48Å; Q670-I674 WeakPolarHBondContact O-CD1 3.36Å; Q670-I674 WeakPolarHBondContact O-CG1 3.16Å; Q670-I674 PolarHBondContact O-N 3.34Å; S671-I674 PolarHBondContact O-N 2.87Å; Q672-I674 PolarHBondContact O-N 3.39Å; I674-T678 WeakPolarHBondContact O-CB 3.48Å; I674-T678 PolarHBondContact O-N 3.18Å; I674-T678 PolarHBondContact O-OG1 3.03Å; I674-F715 HydrophobicContact CB-CE1 4.41Å; I674-F715 HydrophobicContact CB-CZ 4.18Å; I674-F715 HydrophobicContact CG1-CD1 4.11Å; I674-F715 HydrophobicContact CG1-CE1 3.66Å; I674-F715 HydrophobicContact CG1-CZ 3.94Å; I674-F715 HydrophobicContact CG2-CD2 4.47Å; I674-F715 HydrophobicContact CG2-CE2 4.12Å; I674-F715 HydrophobicContact CG2-CZ 4.19Å
675N93.1Very high86.1Confident99 Ų9953.2 Ų53.253%0.52929%0.291SS..Hα-helixtrans-64.3-41.9179.7-72.1-17.5000112.4S671 Q672 F673 S679S671-N675 WeakPolarHBondContact O-CB 3.48Å; S671-N675 PolarHBondContact O-N 2.97Å; S671-N675 PolarHBondContact O-ND2 3.44Å; Q672-N675 PolarHBondContact O-N 3.02Å; F673-N675 VanDerWaalsContact C-N 3.29Å; F673-N675 PolarHBondContact O-N 3.46Å; N675-S679 VanDerWaalsContact O-CB 3.23Å; N675-S679 WeakPolarHBondContact O-CB 3.32Å; N675-S679 PolarHBondContact O-N 3.1Å; N675-S679 PolarHBondContact O-OG 3.43Å
676L94.9Very high86.9Confident13 Ų1354.9 Ų54.97%0.06830%0.302CS..Hα-helixtrans-61.5-52.7178.2-73.3172.6000111.7L607 V610 E611 V614 F661 Q672 F673 T678 S679 A680L607-L676 HydrophobicContact CD1-CD1 3.98Å; V610-L676 HydrophobicContact CG1-CD1 4.34Å; V610-L676 HydrophobicContact CG1-CD2 4.45Å; E611-L676 HydrophobicContact CG-CD2 3.9Å; V614-L676 HydrophobicContact CB-CD2 4.39Å; V614-L676 HydrophobicContact CG2-CD2 4.1Å; F661-L676 HydrophobicContact CE1-CD1 4.26Å; Q672-L676 WeakPolarHBondContact O-CG 3.14Å; Q672-L676 PolarHBondContact O-N 3.24Å; F673-L676 PolarHBondContact O-N 2.6Å; L676-T678 PolarHBondContact O-N 3Å; L676-S679 PolarHBondContact O-N 3.29Å; L676-A680 WeakPolarHBondContact O-CB 3.09Å; L676-A680 PolarHBondContact O-N 2.82Å
677I95.1Very high88.3Confident2 Ų247.6 Ų47.61%0.0127%0.269CS..Hα-helixtrans-63.4-44.5179.2-64-60.9000111L658 F673 S679 A680 V681 I707 V711 P713 F715L658-I677 HydrophobicContact CD1-CD1 4.03Å; L658-I677 HydrophobicContact CD2-CD1 4.33Å; F673-I677 HydrophobicContact CD1-CG1 4.46Å; F673-I677 HydrophobicContact CD2-CG1 4.48Å; F673-I677 HydrophobicContact CE1-CG1 3.92Å; F673-I677 HydrophobicContact CE2-CD1 4.28Å; F673-I677 HydrophobicContact CE2-CG1 3.96Å; F673-I677 HydrophobicContact CZ-CD1 4.16Å; F673-I677 HydrophobicContact CZ-CG1 3.64Å; F673-I677 PolarHBondContact O-N 2.74Å; F673-I677 VanDerWaalsContact O-N 3.13Å; I677-S679 VanDerWaalsContact C-N 3.32Å; I677-S679 PolarHBondContact O-N 3.34Å; I677-A680 PolarHBondContact O-N 3.41Å; I677-V681 HydrophobicContact CG2-CG2 4.27Å; I677-V681 WeakPolarHBondContact O-CB 3.29Å; I677-V681 VanDerWaalsContact O-CG2 3.26Å; I677-V681 WeakPolarHBondContact O-CG2 3.47Å; I677-V681 PolarHBondContact O-N 3.36Å; I677-I707 HydrophobicContact CG2-CG2 4.36Å; I677-V711 HydrophobicContact CD1-CG1 4.29Å; I677-P713 HydrophobicContact CG2-CG 3.92Å; I677-F715 HydrophobicContact CB-CE2 4.37Å; I677-F715 HydrophobicContact CB-CZ 4.01Å; I677-F715 HydrophobicContact CG2-CE2 4.07Å; I677-F715 HydrophobicContact CG2-CZ 3.99Å
678T95.6Very high89.8Confident29 Ų2943 Ų4318%0.17824%0.236CC..Hα-helixtrans-61.6-42.7179.8-59.70000111.1I674 L676 N682 L719I674-T678 WeakPolarHBondContact O-CB 3.48Å; I674-T678 PolarHBondContact O-N 3.18Å; I674-T678 PolarHBondContact O-OG1 3.03Å; L676-T678 PolarHBondContact O-N 3Å; T678-N682 WeakPolarHBondContact CG2-ND2 3.42Å; T678-N682 VanDerWaalsContact O-CB 3.23Å; T678-N682 WeakPolarHBondContact O-CB 3.35Å; T678-N682 PolarHBondContact O-N 3.04Å; T678-N682 PolarHBondContact O-ND2 3.17Å; T678-L719 HydrophobicContact CG2-CD1 4.45Å; T678-L719 HydrophobicContact CG2-CD2 3.94Å
679S95.9Very high91.4Very high43 Ų4336.5 Ų36.530%0.30121%0.207SC..Hα-helixtrans-66.1-45.2178.2-58.90000111.7N675 L676 I677 V681 N682 A683N675-S679 VanDerWaalsContact O-CB 3.23Å; N675-S679 WeakPolarHBondContact O-CB 3.32Å; N675-S679 PolarHBondContact O-N 3.1Å; N675-S679 PolarHBondContact O-OG 3.43Å; L676-S679 PolarHBondContact O-N 3.29Å; I677-S679 VanDerWaalsContact C-N 3.32Å; I677-S679 PolarHBondContact O-N 3.34Å; S679-V681 PolarHBondContact O-N 2.92Å; S679-N682 PolarHBondContact O-N 3.43Å; S679-A683 WeakPolarHBondContact O-CB 3.4Å; S679-A683 PolarHBondContact O-N 3.21Å
680A95.1Very high91.7Very high4 Ų436.8 Ų36.83%0.03321%0.211CC..Hα-helixtrans-58.2-47.4175.900000112V614 L651 L676 I677 A683 S684 I707V614-A680 HydrophobicContact CG2-CB 4.47Å; L651-A680 HydrophobicContact CD2-CB 3.86Å; L676-A680 WeakPolarHBondContact O-CB 3.09Å; L676-A680 PolarHBondContact O-N 2.82Å; I677-A680 PolarHBondContact O-N 3.41Å; A680-A683 PolarHBondContact O-N 3.46Å; A680-S684 PolarHBondContact O-N 3.19Å; A680-S684 PolarHBondContact O-OG 3.04Å; A680-S684 VanDerWaalsContact O-OG 3.1Å; A680-I707 HydrophobicContact CB-CD1 4.4Å
681V95.3Very high91.9Very high0 Ų040 Ų400%022%0.224CC..Hα-helixtrans-67.8-40.2179.6173.60000111.8I677 S679 A683 S684 S685 M704 I707 L716 L719 A721 V722I677-V681 HydrophobicContact CG2-CG2 4.27Å; I677-V681 WeakPolarHBondContact O-CB 3.29Å; I677-V681 VanDerWaalsContact O-CG2 3.26Å; I677-V681 WeakPolarHBondContact O-CG2 3.47Å; I677-V681 PolarHBondContact O-N 3.36Å; S679-V681 PolarHBondContact O-N 2.92Å; V681-A683 VanDerWaalsContact C-N 3.28Å; V681-A683 PolarHBondContact O-N 3.46Å; V681-S684 PolarHBondContact O-N 3.04Å; V681-S685 WeakPolarHBondContact O-CB 3.43Å; V681-S685 PolarHBondContact O-N 2.85Å; V681-M704 HydrophobicContact CB-SD 4.48Å; V681-M704 HydrophobicContact CG1-CE 4.3Å; V681-M704 HydrophobicContact CG1-SD 4.11Å; V681-M704 HydrophobicContact CG2-SD 4.16Å; V681-I707 HydrophobicContact CG2-CD1 4.01Å; V681-L716 HydrophobicContact CG1-CD1 4.42Å; V681-L716 HydrophobicContact CG2-CD1 3.79Å; V681-L719 HydrophobicContact CB-CD1 4.22Å; V681-L719 HydrophobicContact CG1-CD1 4.14Å; V681-A721 HydrophobicContact CG1-CB 4.13Å; V681-V722 HydrophobicContact CG1-CG2 3.52Å
682N94.6Very high92.1Very high76 Ų7637 Ų3741%0.40620%0.202SC..Hα-helixtrans-64.4-34175.4-73.9-19.5000112T678 S679 P686 A721T678-N682 WeakPolarHBondContact CG2-ND2 3.42Å; T678-N682 VanDerWaalsContact O-CB 3.23Å; T678-N682 WeakPolarHBondContact O-CB 3.35Å; T678-N682 PolarHBondContact O-N 3.04Å; T678-N682 PolarHBondContact O-ND2 3.17Å; S679-N682 PolarHBondContact O-N 3.43Å; N682-P686 WeakPolarHBondContact O-CD 3.47Å; N682-A721 VanDerWaalsContact OD1-CB 3.22Å; N682-A721 WeakPolarHBondContact OD1-CB 3.35Å
683A93.8Very high92.2Very high4 Ų436.5 Ų36.53%0.03320%0.204CC..Hα-helixtrans-72.8-36.817500000112.4T617 S621 S679 A680 V681 P686T617-A683 HydrophobicContact CG2-CB 3.84Å; S621-A683 VanDerWaalsContact CB-O 3.24Å; S621-A683 WeakPolarHBondContact CB-O 3.22Å; S621-A683 PolarHBondContact OG-O 2.86Å; S679-A683 WeakPolarHBondContact O-CB 3.4Å; S679-A683 PolarHBondContact O-N 3.21Å; A680-A683 PolarHBondContact O-N 3.46Å; V681-A683 VanDerWaalsContact C-N 3.28Å; V681-A683 PolarHBondContact O-N 3.46Å; A683-P686 WeakPolarHBondContact O-CD 3.41Å; A683-P686 WeakPolarHBondContact O-CG 3.4Å
684S94.1Very high92.1Very high0 Ų041.7 Ų41.70%023%0.228CC..Hα-helixtrans-73.7-34.3178.3-61.20000113.7A680 V681 L687A680-S684 PolarHBondContact O-N 3.19Å; A680-S684 PolarHBondContact O-OG 3.04Å; A680-S684 VanDerWaalsContact O-OG 3.1Å; V681-S684 PolarHBondContact O-N 3.04Å; S684-L687 WeakPolarHBondContact O-CB 3.45Å; S684-L687 PolarHBondContact O-N 3.41Å; S684-L687 VanDerWaalsContact O-N 3.09Å
685S92.8Very high92.1Very high22 Ų2243.4 Ų43.415%0.15423%0.234CC..G310 helixtrans-53.1-48.4-176.3-174.40000115.7V681 L687 I688 A721V681-S685 WeakPolarHBondContact O-CB 3.43Å; V681-S685 PolarHBondContact O-N 2.85Å; S685-L687 PolarHBondContact O-N 3.29Å; S685-I688 PolarHBondContact O-N 2.89Å; S685-A721 PolarHBondContact OG-O 3.04Å
686P91.8Very high92.1Very high68 Ų6838.7 Ų38.744%0.44221%0.208SC..G310 helixtrans-67.7-19.6178.627.1-36.3000114N682 A683 I688N682-P686 WeakPolarHBondContact O-CD 3.47Å; A683-P686 WeakPolarHBondContact O-CD 3.41Å; A683-P686 WeakPolarHBondContact O-CG 3.4Å; P686-I688 VanDerWaalsContact C-N 3.31Å
687L92Very high92.1Very high0 Ų038.2 Ų38.20%021%0.206CC..G310 helixtrans-79.4-15.9179.8-56.2177.6000112.8Y626 L648 S684 S685 T689 V692 L697 A700Y626-L687 HydrophobicContact CE1-CD2 4.22Å; L648-L687 HydrophobicContact CD1-CD1 3.67Å; L648-L687 HydrophobicContact CD2-CD1 4.48Å; S684-L687 WeakPolarHBondContact O-CB 3.45Å; S684-L687 PolarHBondContact O-N 3.41Å; S684-L687 VanDerWaalsContact O-N 3.09Å; S685-L687 PolarHBondContact O-N 3.29Å; L687-T689 PolarHBondContact O-N 3.39Å; L687-V692 HydrophobicContact CD2-CG1 4.27Å; L687-L697 WeakPolarHBondContact O-CD1 3.41Å; L687-A700 HydrophobicContact CB-CB 3.8Å; L687-A700 HydrophobicContact CD1-CB 3.99Å
688I90.8Very high92Very high12 Ų1239.6 Ų39.66%0.06221%0.213CC..SBendtrans-83.970.4179.6-59.1167.4000109.4S685 P686 L697 M704 I725 L738 V746S685-I688 PolarHBondContact O-N 2.89Å; P686-I688 VanDerWaalsContact C-N 3.31Å; I688-L697 HydrophobicContact CB-CD1 4.37Å; I688-L697 HydrophobicContact CG2-CD1 4.31Å; I688-M704 HydrophobicContact CD1-CG 4.11Å; I688-I725 HydrophobicContact CD1-CD1 3.7Å; I688-I725 HydrophobicContact CD1-CG1 4.37Å; I688-L738 HydrophobicContact CG2-CD1 3.82Å; I688-V746 HydrophobicContact CD1-CG2 4.32Å; I688-V746 HydrophobicContact CG2-CG1 4.45Å; I688-V746 HydrophobicContact CG2-CG2 3.68Å
689T88.4Confident92Very high31 Ų3139.1 Ų39.119%0.1921%0.211CC..SBendtrans-153.6156.2178.1-171.50000111.4L687 K691 V692L687-T689 PolarHBondContact O-N 3.39Å; T689-K691 HydrophobicContact CG2-CB 4.16Å; T689-K691 PolarHBondContact O-N 3.07Å; T689-V692 HydrophobicContact CG2-CB 4.31Å; T689-V692 HydrophobicContact CG2-CG2 3.57Å; T689-V692 PolarHBondContact O-N 3.24Å
690T82.7Confident92Very high74 Ų7437 Ų3745%0.45420%0.196SC..THydrogen-bonded Turntrans-70-9.2179.254.40000114.2R737 L738T690-R737 WeakPolarHBondContact CG2-O 3.5Å; T690-L738 HydrophobicContact CG2-CD2 4.22Å
691K85.4Confident92Very high175 Ų17536.9 Ų36.976%0.76120%0.195SC*.THydrogen-bonded Turntrans-85-9.7-179.2-63.1-176177.8-177.70114T689T689-K691 HydrophobicContact CG2-CB 4.16Å; T689-K691 PolarHBondContact O-N 3.07Å
692V89.8Confident92Very high14 Ų1439.8 Ų39.89%0.08521%0.208CC..SBendtrans-102.1147.7-175.1174.30000109.1Y626 L687 T689 E694 L696Y626-V692 HydrophobicContact CE2-CG1 4.28Å; Y626-V692 HydrophobicContact CE2-CG2 4.15Å; L687-V692 HydrophobicContact CD2-CG1 4.27Å; T689-V692 HydrophobicContact CG2-CB 4.31Å; T689-V692 HydrophobicContact CG2-CG2 3.57Å; T689-V692 PolarHBondContact O-N 3.24Å; V692-E694 PolarHBondContact O-N 3.28Å; V692-L696 HydrophobicContact CG1-CB 3.66Å; V692-L696 HydrophobicContact CG1-CD1 4.04Å
693P91.3Very high92.1Very high44 Ų4436.3 Ų36.329%0.28619%0.19SC..  trans-50.4138.4173.7-28.734.6000113Y626 T641 K695 L696 L697Y626-P693 HydrophobicContact CD2-CG 4.21Å; T641-P693 HydrophobicContact CG2-CB 3.82Å; T641-P693 HydrophobicContact CG2-CG 4.25Å; P693-K695 VanDerWaalsContact C-N 3.29Å; P693-K695 PolarHBondContact O-N 2.86Å; P693-L696 HydrophobicContact CB-CD1 4.45Å; P693-L696 HydrophobicContact CG-CD1 4.29Å; P693-L696 WeakPolarHBondContact O-CB 3.42Å; P693-L696 PolarHBondContact O-N 2.91Å; P693-L697 PolarHBondContact O-N 3.17Å; P693-L697 VanDerWaalsContact O-N 3.11Å
694E90.6Very high92.2Very high111 Ų11136.4 Ų36.452%0.51919%0.189SC..Hα-helixtrans-56.4-40.6-173.8-177167.2-156.300113V692 L696 L697 L698V692-E694 PolarHBondContact O-N 3.28Å; E694-L696 VanDerWaalsContact C-N 3.29Å; E694-L696 PolarHBondContact O-N 2.88Å; E694-L697 WeakPolarHBondContact O-CB 3.46Å; E694-L697 PolarHBondContact O-N 3.37Å; E694-L698 HydrophobicContact CG-CD1 4Å; E694-L698 HydrophobicContact CG-CG 4.26Å; E694-L698 WeakPolarHBondContact O-CG 3.43Å; E694-L698 PolarHBondContact O-N 3.35Å
695K90.9Very high92.3Very high91 Ų9137.1 Ų37.140%0.39619%0.194SC..Hα-helixtrans-56.1-40.5176.4-170.6173.7-174.4169.40113.1T641 D642 A645 P693 S699T641-K695 HydrophobicContact CG2-CB 4.42Å; D642-K695 WeakPolarHBondContact OD1-CE 3.36Å; D642-K695 IonicContact OD1-NZ 3.57Å; D642-K695 PolarHBondContact OD1-NZ 3.11Å; A645-K695 HydrophobicContact CB-CD 4.29Å; A645-K695 HydrophobicContact CB-CG 3.94Å; P693-K695 VanDerWaalsContact C-N 3.29Å; P693-K695 PolarHBondContact O-N 2.86Å; K695-S699 WeakPolarHBondContact O-CB 3.46Å; K695-S699 PolarHBondContact O-N 3.45Å; K695-S699 PolarHBondContact O-OG 2.74Å
696L93.8Very high92.4Very high0 Ų036.9 Ų36.90%019%0.192CC..Hα-helixtrans-73.7-42.4177.9-73.6172.3000111.7Y626 T641 H644 A645 L648 V692 P693 E694 L698 S699 A700Y626-L696 HydrophobicContact CD1-CD1 3.52Å; Y626-L696 HydrophobicContact CD2-CD1 4.47Å; Y626-L696 HydrophobicContact CE1-CD1 3.92Å; Y626-L696 HydrophobicContact CG-CD1 3.85Å; T641-L696 HydrophobicContact CG2-CD1 3.96Å; T641-L696 HydrophobicContact CG2-CG 3.82Å; T641-L696 WeakPolarHBondContact O-CD2 3.41Å; H644-L696 HydrophobicContact CB-CD2 3.66Å; A645-L696 HydrophobicContact CB-CD2 3.92Å; A645-L696 VanDerWaalsContact N-CD2 3.29Å; L648-L696 HydrophobicContact CD1-CD2 4.37Å; V692-L696 HydrophobicContact CG1-CB 3.66Å; V692-L696 HydrophobicContact CG1-CD1 4.04Å; P693-L696 HydrophobicContact CB-CD1 4.45Å; P693-L696 HydrophobicContact CG-CD1 4.29Å; P693-L696 WeakPolarHBondContact O-CB 3.42Å; P693-L696 PolarHBondContact O-N 2.91Å; E694-L696 VanDerWaalsContact C-N 3.29Å; E694-L696 PolarHBondContact O-N 2.88Å; L696-L698 VanDerWaalsContact C-N 3.31Å; L696-L698 PolarHBondContact O-N 3.5Å; L696-S699 PolarHBondContact O-N 3.28Å; L696-A700 WeakPolarHBondContact O-CB 3.19Å; L696-A700 PolarHBondContact O-N 3.36Å
697L94.2Very high92.6Very high2 Ų233.7 Ų33.71%0.0117%0.172CC..Hα-helixtrans-57-46.3175.2171.762.1000111.1L687 I688 P693 E694 S701 L738 P739 A742L687-L697 WeakPolarHBondContact O-CD1 3.41Å; I688-L697 HydrophobicContact CB-CD1 4.37Å; I688-L697 HydrophobicContact CG2-CD1 4.31Å; P693-L697 PolarHBondContact O-N 3.17Å; P693-L697 VanDerWaalsContact O-N 3.11Å; E694-L697 WeakPolarHBondContact O-CB 3.46Å; E694-L697 PolarHBondContact O-N 3.37Å; L697-S701 WeakPolarHBondContact O-CB 3.45Å; L697-S701 PolarHBondContact O-N 3.36Å; L697-S701 PolarHBondContact O-OG 2.91Å; L697-L738 HydrophobicContact CD1-CD2 4.2Å; L697-L738 HydrophobicContact CD2-CD2 4.26Å; L697-P739 HydrophobicContact CD2-CG 4Å; L697-A742 HydrophobicContact CD1-CB 4.14Å; L697-A742 HydrophobicContact CD2-CB 3.54Å; L697-A742 HydrophobicContact CG-CB 3.6Å
698L94.3Very high92.7Very high32 Ų3233.9 Ų33.917%0.16817%0.172CC..Hα-helixtrans-65.3-47177.1-69175.3000111.4E694 L696 A700 S701 H702 E741 A742 F745E694-L698 HydrophobicContact CG-CD1 4Å; E694-L698 HydrophobicContact CG-CG 4.26Å; E694-L698 WeakPolarHBondContact O-CG 3.43Å; E694-L698 PolarHBondContact O-N 3.35Å; L696-L698 VanDerWaalsContact C-N 3.31Å; L696-L698 PolarHBondContact O-N 3.5Å; L698-A700 PolarHBondContact O-N 3.48Å; L698-S701 WeakPolarHBondContact O-CB 3.42Å; L698-S701 PolarHBondContact O-N 3.38Å; L698-S701 VanDerWaalsContact O-N 3.12Å; L698-H702 PolarHBondContact O-CD2 3.08Å; L698-H702 PolarHBondContact O-N 3.32Å; L698-E741 HydrophobicContact CD2-CB 4.02Å; L698-A742 HydrophobicContact CD2-CB 4.12Å; L698-F745 HydrophobicContact CD2-CD2 4.15Å; L698-F745 HydrophobicContact CD2-CE2 4.17Å
699S94.5Very high92.8Very high18 Ų1834.4 Ų34.413%0.12618%0.179CC..Hα-helixtrans-59.9-43.1179.2-56.90000112.3K695 L696 H702 L703K695-S699 WeakPolarHBondContact O-CB 3.46Å; K695-S699 PolarHBondContact O-N 3.45Å; K695-S699 PolarHBondContact O-OG 2.74Å; L696-S699 PolarHBondContact O-N 3.28Å; S699-H702 PolarHBondContact O-N 3.26Å; S699-L703 PolarHBondContact O-N 3.22Å
700A95.9Very high93.1Very high0 Ų034.7 Ų34.70%018%0.181CC..Hα-helixtrans-65.3-39.6175.200000112.1L648 L687 L696 L698 L703 M704L648-A700 HydrophobicContact CD1-CB 4.25Å; L687-A700 HydrophobicContact CB-CB 3.8Å; L687-A700 HydrophobicContact CD1-CB 3.99Å; L696-A700 WeakPolarHBondContact O-CB 3.19Å; L696-A700 PolarHBondContact O-N 3.36Å; L698-A700 PolarHBondContact O-N 3.48Å; A700-L703 PolarHBondContact O-N 3.47Å; A700-M704 WeakPolarHBondContact O-CG 3.46Å; A700-M704 PolarHBondContact O-N 2.91Å
701S95.7Very high93.6Very high0 Ų031.2 Ų31.20%016%0.159CC..Hα-helixtrans-65.2-42.5176.8-57.90000111.6L697 L698 M704 V705L697-S701 WeakPolarHBondContact O-CB 3.45Å; L697-S701 PolarHBondContact O-N 3.36Å; L697-S701 PolarHBondContact O-OG 2.91Å; L698-S701 WeakPolarHBondContact O-CB 3.42Å; L698-S701 PolarHBondContact O-N 3.38Å; L698-S701 VanDerWaalsContact O-N 3.12Å; S701-M704 WeakPolarHBondContact O-CB 3.35Å; S701-M704 PolarHBondContact O-N 2.87Å; S701-V705 WeakPolarHBondContact O-CG2 3.08Å; S701-V705 PolarHBondContact O-N 3.13Å
702H95.4Very high93.9Very high62 Ų6225.3 Ų25.329%0.28713%0.132SC..Hα-helixtrans-62.5-44174.9-80.4-65.8000112.7L698 S699 M704 V705 S706 F745L698-H702 PolarHBondContact O-CD2 3.08Å; L698-H702 PolarHBondContact O-N 3.32Å; S699-H702 PolarHBondContact O-N 3.26Å; H702-M704 VanDerWaalsContact C-N 3.32Å; H702-M704 PolarHBondContact O-N 3.39Å; H702-V705 PolarHBondContact O-N 3.49Å; H702-S706 PolarHBondContact O-N 3.22Å; H702-S706 PolarHBondContact O-OG 2.75Å; H702-F745 AromaticContact CE1-CE1 3.72Å; H702-F745 AromaticContact CE1-CE2 3.49Å; H702-F745 VanDerWaalsContact CE1-CE2 3.49Å; H702-F745 WeakPolarHBondContact CE1-CE2 3.29Å; H702-F745 AromaticContact CE1-CZ 3.29Å; H702-F745 WeakPolarHBondContact CE1-CZ 3.39Å; H702-F745 AromaticContact NE2-CE2 3.45Å; H702-F745 WeakPolarHBondContact NE2-CE2 3.45Å; H702-F745 AromaticContact NE2-CZ 3.71Å
703L96Very high93.9Very high3 Ų324.7 Ų24.72%0.01613%0.128CC..Hα-helixtrans-59.3-43.8174.8177.859.7000111.5L648 L651 Q652 S699 A700 V705 S706 I707L648-L703 HydrophobicContact CD2-CD2 3.68Å; L651-L703 HydrophobicContact CB-CD1 4.46Å; L651-L703 HydrophobicContact CD2-CD1 4.48Å; L651-L703 HydrophobicContact CD2-CD2 3.86Å; L651-L703 HydrophobicContact CG-CD1 4.11Å; L651-L703 HydrophobicContact CG-CD2 4.3Å; Q652-L703 HydrophobicContact CB-CB 4.48Å; Q652-L703 HydrophobicContact CB-CD1 4.01Å; S699-L703 PolarHBondContact O-N 3.22Å; A700-L703 PolarHBondContact O-N 3.47Å; L703-V705 PolarHBondContact O-N 3.43Å; L703-S706 PolarHBondContact O-N 3.05Å; L703-I707 HydrophobicContact CD1-CD1 4Å; L703-I707 HydrophobicContact CD1-CG1 4.19Å; L703-I707 HydrophobicContact CG-CD1 3.99Å; L703-I707 WeakPolarHBondContact O-CG1 3.15Å; L703-I707 PolarHBondContact O-N 3.35Å
704M95.5Very high93.8Very high5 Ų524.6 Ų24.63%0.02513%0.127CC..Hα-helixtrans-61.4-42.3175.1-74.5-62.5-63.700112.5V681 I688 A700 S701 H702 T708 V722 I725 A749V681-M704 HydrophobicContact CB-SD 4.48Å; V681-M704 HydrophobicContact CG1-CE 4.3Å; V681-M704 HydrophobicContact CG1-SD 4.11Å; V681-M704 HydrophobicContact CG2-SD 4.16Å; I688-M704 HydrophobicContact CD1-CG 4.11Å; A700-M704 WeakPolarHBondContact O-CG 3.46Å; A700-M704 PolarHBondContact O-N 2.91Å; S701-M704 WeakPolarHBondContact O-CB 3.35Å; S701-M704 PolarHBondContact O-N 2.87Å; H702-M704 VanDerWaalsContact C-N 3.32Å; H702-M704 PolarHBondContact O-N 3.39Å; M704-T708 WeakPolarHBondContact O-CB 3.42Å; M704-T708 VanDerWaalsContact O-CG2 3.24Å; M704-T708 WeakPolarHBondContact O-CG2 3.48Å; M704-T708 PolarHBondContact O-N 3.23Å; M704-T708 PolarHBondContact O-OG1 3.41Å; M704-V722 HydrophobicContact CE-CG2 4.3Å; M704-I725 HydrophobicContact CE-CD1 4.39Å; M704-A749 HydrophobicContact CB-CB 4.11Å
705V95.7Very high93.9Very high16 Ų1621.2 Ų21.210%0.09711%0.111CC..Hα-helixtrans-60.3-46.6172.9173.40000111S701 H702 L703 I707 T708 A709 F745 R748 A749S701-V705 WeakPolarHBondContact O-CG2 3.08Å; S701-V705 PolarHBondContact O-N 3.13Å; H702-V705 PolarHBondContact O-N 3.49Å; L703-V705 PolarHBondContact O-N 3.43Å; V705-I707 PolarHBondContact O-N 3.35Å; V705-T708 WeakPolarHBondContact CA-OG1 3.36Å; V705-T708 PolarHBondContact O-N 2.84Å; V705-T708 PolarHBondContact O-OG1 3.24Å; V705-A709 WeakPolarHBondContact O-CB 3.46Å; V705-A709 PolarHBondContact O-N 3.27Å; V705-F745 HydrophobicContact CG2-CB 4.06Å; V705-F745 HydrophobicContact CG2-CD1 4.48Å; V705-F745 WeakPolarHBondContact CG2-O 3.49Å; V705-R748 HydrophobicContact CG2-CB 4.46Å; V705-A749 HydrophobicContact CG2-CB 3.9Å
706S95.7Very high93.9Very high16 Ų1617 Ų1711%0.1129%0.092CC..Hα-helixtrans-65-39.8179.6-71.30000113.1Q652 H702 L703 T710Q652-S706 WeakPolarHBondContact CG-OG 3.32Å; Q652-S706 PolarHBondContact NE2-OG 3.32Å; H702-S706 PolarHBondContact O-N 3.22Å; H702-S706 PolarHBondContact O-OG 2.75Å; L703-S706 PolarHBondContact O-N 3.05Å; S706-T710 WeakPolarHBondContact O-CA 3.49Å; S706-T710 WeakPolarHBondContact O-CB 3.47Å; S706-T710 PolarHBondContact O-N 3.41Å; S706-T710 PolarHBondContact O-OG1 2.94Å
707I95.6Very high93.6Very high2 Ų219.1 Ų19.11%0.0111%0.105CC..Iπ-helixtrans-63.9-44.3175-67.5169.3000110.5I677 A680 V681 L703 V705 V711 R712 P713 L716I677-I707 HydrophobicContact CG2-CG2 4.36Å; A680-I707 HydrophobicContact CB-CD1 4.4Å; V681-I707 HydrophobicContact CG2-CD1 4.01Å; L703-I707 HydrophobicContact CD1-CD1 4Å; L703-I707 HydrophobicContact CD1-CG1 4.19Å; L703-I707 HydrophobicContact CG-CD1 3.99Å; L703-I707 WeakPolarHBondContact O-CG1 3.15Å; L703-I707 PolarHBondContact O-N 3.35Å; V705-I707 PolarHBondContact O-N 3.35Å; I707-V711 WeakPolarHBondContact O-CB 3.2Å; I707-V711 PolarHBondContact O-N 3.4Å; I707-R712 PolarHBondContact O-N 3.49Å; I707-P713 HydrophobicContact CG2-CG 4.3Å; I707-L716 HydrophobicContact CG2-CD1 4.43Å; I707-L716 HydrophobicContact CG2-CD2 4.15Å
708T94.7Very high93.4Very high3 Ų323.5 Ų23.52%0.01813%0.132CC..Iπ-helixtrans-76.2-31-177.353.20000113.7M704 V705 R712 L716 A749 M753M704-T708 WeakPolarHBondContact O-CB 3.42Å; M704-T708 VanDerWaalsContact O-CG2 3.24Å; M704-T708 WeakPolarHBondContact O-CG2 3.48Å; M704-T708 PolarHBondContact O-N 3.23Å; M704-T708 PolarHBondContact O-OG1 3.41Å; V705-T708 WeakPolarHBondContact CA-OG1 3.36Å; V705-T708 PolarHBondContact O-N 2.84Å; V705-T708 PolarHBondContact O-OG1 3.24Å; T708-R712 WeakPolarHBondContact O-CG 3.42Å; T708-L716 HydrophobicContact CG2-CD2 3.6Å; T708-A749 WeakPolarHBondContact CB-O 3.35Å; T708-A749 HydrophobicContact CG2-CB 4.22Å; T708-A749 WeakPolarHBondContact CG2-O 3.13Å; T708-A749 WeakPolarHBondContact OG1-CA 3.34Å; T708-A749 PolarHBondContact OG1-O 2.93Å; T708-M753 HydrophobicContact CG2-CB 4.03Å
709A93.7Very high93.4Very high24 Ų2422.7 Ų22.720%0.19813%0.128CC..Iπ-helixtrans-90.1-35.5-177.500000113.4V705 R712 L756V705-A709 WeakPolarHBondContact O-CB 3.46Å; V705-A709 PolarHBondContact O-N 3.27Å; A709-R712 PolarHBondContact O-NE 3.44Å; A709-R712 PolarHBondContact O-NH2 2.9Å; A709-L756 HydrophobicContact CB-CD1 4.38Å
710T93.1Very high93.3Very high37 Ų3725.8 Ų25.823%0.22715%0.148CC..Iπ-helixtrans-107-47.5-170.4-480000112.2T659 S706T659-T710 WeakPolarHBondContact CG2-O 3.37Å; T659-T710 PolarHBondContact OG1-O 3.25Å; S706-T710 WeakPolarHBondContact O-CA 3.49Å; S706-T710 WeakPolarHBondContact O-CB 3.47Å; S706-T710 PolarHBondContact O-N 3.41Å; S706-T710 PolarHBondContact O-OG1 2.94Å
711V93Very high93.1Very high0 Ų026.1 Ų26.10%015%0.15CC..Iπ-helixtrans-83.2-42.8-175.8-1730000112.1S655 L658 T659 F673 I677 I707 P713S655-V711 WeakPolarHBondContact O-CG2 3.11Å; L658-V711 HydrophobicContact CB-CG1 4.32Å; L658-V711 HydrophobicContact CB-CG2 3.74Å; L658-V711 HydrophobicContact CD1-CG2 4.48Å; T659-V711 WeakPolarHBondContact OG1-CA 3.29Å; T659-V711 PolarHBondContact OG1-N 2.99Å; F673-V711 HydrophobicContact CE2-CG1 4.25Å; F673-V711 HydrophobicContact CZ-CG1 3.69Å; I677-V711 HydrophobicContact CD1-CG1 4.29Å; I707-V711 WeakPolarHBondContact O-CB 3.2Å; I707-V711 PolarHBondContact O-N 3.4Å; V711-P713 HydrophobicContact CG1-CG 4.38Å
712R92.3Very high93Very high52 Ų5226.2 Ų26.220%0.19615%0.151CC..  trans53.649.4175.4-54.8176.6-169-162.8-2.6115.2I707 T708 A709 P757 P759 E826I707-R712 PolarHBondContact O-N 3.49Å; T708-R712 WeakPolarHBondContact O-CG 3.42Å; A709-R712 PolarHBondContact O-NE 3.44Å; A709-R712 PolarHBondContact O-NH2 2.9Å; R712-P757 WeakPolarHBondContact CD-O 3.48Å; R712-P759 HydrophobicContact CB-CG 4.23Å; R712-P759 WeakPolarHBondContact O-CD 3.45Å; R712-E826 IonicContact CZ-OE1 2.68Å; R712-E826 IonicContact NH1-OE1 3.58Å; R712-E826 PolarHBondContact NH1-OE1 3.21Å; R712-E826 IonicContact NH1-OE2 3.96Å; R712-E826 PolarHBondContact NH1-OE2 3.38Å; R712-E826 IonicContact NH2-OE1 3.25Å; R712-E826 PolarHBondContact NH2-OE1 2.93Å
713P90.8Very high92.8Very high1 Ų127.6 Ų27.61%0.00616%0.157CC..  trans-70.6137.2-178.923.1-22.7000112.5F673 I677 I707 V711 F715 L716F673-P713 HydrophobicContact CE1-CB 4.3Å; I677-P713 HydrophobicContact CG2-CG 3.92Å; I707-P713 HydrophobicContact CG2-CG 4.3Å; V711-P713 HydrophobicContact CG1-CG 4.38Å; P713-F715 HydrophobicContact CB-CD1 4.19Å; P713-F715 HydrophobicContact CB-CE1 3.66Å; P713-F715 HydrophobicContact CB-CZ 3.92Å; P713-F715 PolarHBondContact O-N 3.12Å; P713-L716 HydrophobicContact CG-CB 4.16Å; P713-L716 HydrophobicContact CG-CD2 4.39Å; P713-L716 VanDerWaalsContact O-CB 3.24Å; P713-L716 WeakPolarHBondContact O-CB 3.44Å; P713-L716 PolarHBondContact O-N 2.95Å
714V89.5Confident92.6Very high41 Ų4131.7 Ų31.725%0.24818%0.179CC..G310 helixtrans-64.1-39.3-173177.40000112.8Y662 L716 W758 L761Y662-V714 WeakPolarHBondContact OH-CG2 3.33Å; V714-L716 PolarHBondContact O-N 3.32Å; V714-W758 HydrophobicContact CB-CD2 4.26Å; V714-W758 HydrophobicContact CB-CG 4.46Å; V714-W758 HydrophobicContact CG1-CD2 4.09Å; V714-W758 HydrophobicContact CG1-CE3 3.93Å; V714-W758 HydrophobicContact CG1-CH2 4.15Å; V714-W758 HydrophobicContact CG1-CZ2 4.3Å; V714-W758 HydrophobicContact CG1-CZ3 3.96Å; V714-W758 HydrophobicContact CG2-CB 3.81Å; V714-W758 HydrophobicContact CG2-CD2 3.87Å; V714-W758 HydrophobicContact CG2-CE3 4.15Å; V714-W758 HydrophobicContact CG2-CG 3.73Å; V714-L761 HydrophobicContact CG1-CD1 4.25Å; V714-L761 HydrophobicContact CG2-CD1 3.48Å; V714-L761 VanDerWaalsContact CG2-CD1 3.48Å; V714-L761 HydrophobicContact CG2-CG 4.42Å
715F90.7Very high92.3Very high41 Ų4131.8 Ų31.818%0.1818%0.18CC..G310 helixtrans-75.7-4.1-178.263-90.8000113.7F673 I674 I677 P713 V717 T718 L719F673-F715 HydrophobicContact CD1-CE1 4.39Å; F673-F715 HydrophobicContact CE1-CE1 4.14Å; F673-F715 HydrophobicContact CE1-CZ 4.35Å; I674-F715 HydrophobicContact CB-CE1 4.41Å; I674-F715 HydrophobicContact CB-CZ 4.18Å; I674-F715 HydrophobicContact CG1-CD1 4.11Å; I674-F715 HydrophobicContact CG1-CE1 3.66Å; I674-F715 HydrophobicContact CG1-CZ 3.94Å; I674-F715 HydrophobicContact CG2-CD2 4.47Å; I674-F715 HydrophobicContact CG2-CE2 4.12Å; I674-F715 HydrophobicContact CG2-CZ 4.19Å; I677-F715 HydrophobicContact CB-CE2 4.37Å; I677-F715 HydrophobicContact CB-CZ 4.01Å; I677-F715 HydrophobicContact CG2-CE2 4.07Å; I677-F715 HydrophobicContact CG2-CZ 3.99Å; P713-F715 HydrophobicContact CB-CD1 4.19Å; P713-F715 HydrophobicContact CB-CE1 3.66Å; P713-F715 HydrophobicContact CB-CZ 3.92Å; P713-F715 PolarHBondContact O-N 3.12Å; F715-V717 VanDerWaalsContact C-N 3.26Å; F715-V717 PolarHBondContact O-N 3.34Å; F715-T718 PolarHBondContact O-N 3.49Å; F715-T718 VanDerWaalsContact O-N 3.09Å; F715-T718 PolarHBondContact O-OG1 3.34Å; F715-L719 HydrophobicContact CD2-CD1 4.48Å; F715-L719 HydrophobicContact CD2-CD2 4.23Å; F715-L719 HydrophobicContact CD2-CG 4.35Å; F715-L719 HydrophobicContact CE2-CD1 4.42Å
716L91.7Very high92.1Very high2 Ų232.6 Ų32.61%0.0118%0.182CC..G310 helixtrans-58.8-38.4-175.3-170.661000112.8V681 I707 T708 P713 V714 T718 L719 V722 M753V681-L716 HydrophobicContact CG1-CD1 4.42Å; V681-L716 HydrophobicContact CG2-CD1 3.79Å; I707-L716 HydrophobicContact CG2-CD1 4.43Å; I707-L716 HydrophobicContact CG2-CD2 4.15Å; T708-L716 HydrophobicContact CG2-CD2 3.6Å; P713-L716 HydrophobicContact CG-CB 4.16Å; P713-L716 HydrophobicContact CG-CD2 4.39Å; P713-L716 VanDerWaalsContact O-CB 3.24Å; P713-L716 WeakPolarHBondContact O-CB 3.44Å; P713-L716 PolarHBondContact O-N 2.95Å; V714-L716 PolarHBondContact O-N 3.32Å; L716-T718 PolarHBondContact O-N 2.93Å; L716-L719 HydrophobicContact CD1-CD1 4.01Å; L716-L719 PolarHBondContact O-N 2.82Å; L716-V722 HydrophobicContact CD1-CG2 3.93Å; L716-V722 HydrophobicContact CG-CG2 4.25Å; L716-M753 HydrophobicContact CB-SD 4.39Å; L716-M753 HydrophobicContact CD2-CG 4.15Å; L716-M753 HydrophobicContact CD2-SD 4.18Å; L716-M753 HydrophobicContact CG-CG 4.47Å; L716-M753 HydrophobicContact CG-SD 3.99Å
717V88.2Confident91.8Very high44 Ų4435.7 Ų35.727%0.26720%0.197SC..G310 helixtrans-64.7-25.8-179.1-177.10000112.1F715 Q723 M753 W758F715-V717 VanDerWaalsContact C-N 3.26Å; F715-V717 PolarHBondContact O-N 3.34Å; V717-Q723 PolarHBondContact O-NE2 3Å; V717-M753 HydrophobicContact CB-CE 4.49Å; V717-M753 HydrophobicContact CB-SD 4.28Å; V717-M753 HydrophobicContact CG1-CE 4.46Å; V717-M753 HydrophobicContact CG2-CE 3.97Å; V717-M753 HydrophobicContact CG2-CG 3.71Å; V717-M753 HydrophobicContact CG2-SD 3.65Å; V717-W758 HydrophobicContact CG2-CZ2 4.37Å
718T89.7Confident91.4Very high94 Ų9440.9 Ų40.958%0.57722%0.217SC*.G310 helixtrans-89.5-9-178.165.30000113.1F715 L716F715-T718 PolarHBondContact O-N 3.49Å; F715-T718 VanDerWaalsContact O-N 3.09Å; F715-T718 PolarHBondContact O-OG1 3.34Å; L716-T718 PolarHBondContact O-N 2.93Å
719L93.7Very high91Very high16 Ų1642.2 Ų42.28%0.08422%0.224CC..  trans-68.8128.8-180-65.9-173.9000111.1T678 V681 F715 L716 A721 V722 Q723T678-L719 HydrophobicContact CG2-CD1 4.45Å; T678-L719 HydrophobicContact CG2-CD2 3.94Å; V681-L719 HydrophobicContact CB-CD1 4.22Å; V681-L719 HydrophobicContact CG1-CD1 4.14Å; F715-L719 HydrophobicContact CD2-CD1 4.48Å; F715-L719 HydrophobicContact CD2-CD2 4.23Å; F715-L719 HydrophobicContact CD2-CG 4.35Å; F715-L719 HydrophobicContact CE2-CD1 4.42Å; L716-L719 HydrophobicContact CD1-CD1 4.01Å; L716-L719 PolarHBondContact O-N 2.82Å; L719-A721 PolarHBondContact O-N 3.41Å; L719-V722 HydrophobicContact CB-CG2 4.1Å; L719-V722 PolarHBondContact O-N 3.34Å; L719-Q723 PolarHBondContact O-N 3.03Å; L719-Q723 VanDerWaalsContact O-N 3.08Å
720P93.1Very high90.6Very high83 Ų8342.7 Ų42.754%0.53922%0.224SC..Hα-helixtrans-56.7-37179-26.934.7000113.3V722 Q723 N724P720-V722 VanDerWaalsContact C-N 3.32Å; P720-V722 PolarHBondContact O-N 3.09Å; P720-Q723 PolarHBondContact O-N 3.47Å; P720-N724 WeakPolarHBondContact O-CB 3.24Å; P720-N724 PolarHBondContact O-N 3.23Å; P720-N724 PolarHBondContact O-ND2 3.43Å
721A92.3Very high89.9Confident7 Ų745.9 Ų45.96%0.05824%0.243CC..Hα-helixtrans-57.8-41.8176.800000112.9V681 N682 S685 L719 I725V681-A721 HydrophobicContact CG1-CB 4.13Å; N682-A721 VanDerWaalsContact OD1-CB 3.22Å; N682-A721 WeakPolarHBondContact OD1-CB 3.35Å; S685-A721 PolarHBondContact OG-O 3.04Å; L719-A721 PolarHBondContact O-N 3.41Å; A721-I725 WeakPolarHBondContact O-CD1 3.28Å; A721-I725 WeakPolarHBondContact O-CG1 3.42Å; A721-I725 PolarHBondContact O-N 3.33Å
722V93.1Very high88.5Confident2 Ų249.6 Ų49.61%0.01226%0.261CS..Hα-helixtrans-73.9-41.7178.3-178.70000110.8V681 M704 L716 L719 P720 N724 I725 F726 L750 M753V681-V722 HydrophobicContact CG1-CG2 3.52Å; M704-V722 HydrophobicContact CE-CG2 4.3Å; L716-V722 HydrophobicContact CD1-CG2 3.93Å; L716-V722 HydrophobicContact CG-CG2 4.25Å; L719-V722 HydrophobicContact CB-CG2 4.1Å; L719-V722 PolarHBondContact O-N 3.34Å; P720-V722 VanDerWaalsContact C-N 3.32Å; P720-V722 PolarHBondContact O-N 3.09Å; V722-N724 VanDerWaalsContact C-N 3.28Å; V722-N724 PolarHBondContact O-N 2.95Å; V722-I725 PolarHBondContact O-N 2.92Å; V722-F726 WeakPolarHBondContact O-CB 3.49Å; V722-F726 PolarHBondContact O-N 3.48Å; V722-L750 HydrophobicContact CG1-CD2 4.21Å; V722-M753 HydrophobicContact CG1-CE 3.92Å; V722-M753 HydrophobicContact CG1-SD 3.65Å
723Q91.5Very high86.9Confident90 Ų9053 Ų5342%0.42128%0.283SS..Hα-helixtrans-61.2-37.7175.9-68.1179.1-2.600111.9V717 L719 P720 F726 N727V717-Q723 PolarHBondContact O-NE2 3Å; L719-Q723 PolarHBondContact O-N 3.03Å; L719-Q723 VanDerWaalsContact O-N 3.08Å; P720-Q723 PolarHBondContact O-N 3.47Å; Q723-F726 PolarHBondContact O-N 2.94Å; Q723-N727 VanDerWaalsContact O-CB 3.29Å; Q723-N727 WeakPolarHBondContact O-CB 3.38Å; Q723-N727 PolarHBondContact O-N 2.78Å; Q723-N727 PolarHBondContact O-ND2 3.3Å
724N90.1Very high85.2Confident89 Ų8958.7 Ų58.748%0.47631%0.31SS..Hα-helixtrans-61.7-45.6174.1-72.1-22.3000111.7P720 V722 N727 R728P720-N724 WeakPolarHBondContact O-CB 3.24Å; P720-N724 PolarHBondContact O-N 3.23Å; P720-N724 PolarHBondContact O-ND2 3.43Å; V722-N724 VanDerWaalsContact C-N 3.28Å; V722-N724 PolarHBondContact O-N 2.95Å; N724-N727 PolarHBondContact O-N 3.44Å; N724-R728 VanDerWaalsContact O-CG 3.28Å; N724-R728 WeakPolarHBondContact O-CG 3.34Å; N724-R728 PolarHBondContact O-N 2.88Å
725I90.6Very high83.4Confident7 Ų762 Ų624%0.03633%0.334CS..Hα-helixtrans-63.8-45.2176.6-61.2160000110.4I688 M704 A721 V722 N727 R728 I729 V746 L750I688-I725 HydrophobicContact CD1-CD1 3.7Å; I688-I725 HydrophobicContact CD1-CG1 4.37Å; M704-I725 HydrophobicContact CE-CD1 4.39Å; A721-I725 WeakPolarHBondContact O-CD1 3.28Å; A721-I725 WeakPolarHBondContact O-CG1 3.42Å; A721-I725 PolarHBondContact O-N 3.33Å; V722-I725 PolarHBondContact O-N 2.92Å; I725-N727 VanDerWaalsContact C-N 3.34Å; I725-N727 PolarHBondContact O-N 2.99Å; I725-R728 PolarHBondContact O-N 3.37Å; I725-I729 WeakPolarHBondContact O-CG1 3.3Å; I725-I729 PolarHBondContact O-N 2.93Å; I725-I729 VanDerWaalsContact O-N 3.1Å; I725-V746 HydrophobicContact CG2-CG1 3.63Å; I725-L750 HydrophobicContact CG2-CD1 4.33Å; I725-L750 HydrophobicContact CG2-CD2 4.46Å
726F90.9Very high82.1Confident34 Ų3465.3 Ų65.315%0.14935%0.35CS..Hα-helixtrans-59.3-44.6177.6-173.8-87.8000111.9V722 Q723 I729 T730 L750 L754 L778V722-F726 WeakPolarHBondContact O-CB 3.49Å; V722-F726 PolarHBondContact O-N 3.48Å; Q723-F726 PolarHBondContact O-N 2.94Å; F726-I729 PolarHBondContact O-N 3.48Å; F726-T730 HydrophobicContact CD1-CG2 4.13Å; F726-T730 HydrophobicContact CE1-CG2 3.74Å; F726-T730 HydrophobicContact CZ-CG2 3.96Å; F726-T730 WeakPolarHBondContact O-CB 3.44Å; F726-T730 WeakPolarHBondContact O-CG2 3.43Å; F726-T730 PolarHBondContact O-N 3.21Å; F726-T730 PolarHBondContact O-OG1 3.19Å; F726-L750 HydrophobicContact CB-CD2 4.34Å; F726-L750 HydrophobicContact CD2-CD1 4.27Å; F726-L750 HydrophobicContact CD2-CD2 4.36Å; F726-L754 HydrophobicContact CE2-CD1 4.02Å; F726-L778 HydrophobicContact CE2-CB 3.95Å; F726-L778 HydrophobicContact CE2-CD1 4.23Å; F726-L778 HydrophobicContact CE2-CD2 4.47Å; F726-L778 HydrophobicContact CE2-CG 4.45Å; F726-L778 HydrophobicContact CZ-CB 4.23Å
727N89.6Confident81.2Confident80 Ų8070.8 Ų70.843%0.42837%0.371SS..Hα-helixtrans-66.1-40.4177.6-71-22.4000111.6Q723 N724 I725 I729 T730 T731Q723-N727 VanDerWaalsContact O-CB 3.29Å; Q723-N727 WeakPolarHBondContact O-CB 3.38Å; Q723-N727 PolarHBondContact O-N 2.78Å; Q723-N727 PolarHBondContact O-ND2 3.3Å; N724-N727 PolarHBondContact O-N 3.44Å; I725-N727 VanDerWaalsContact C-N 3.34Å; I725-N727 PolarHBondContact O-N 2.99Å; N727-I729 PolarHBondContact O-N 3.37Å; N727-T730 WeakPolarHBondContact CA-OG1 3.36Å; N727-T730 PolarHBondContact O-N 2.94Å; N727-T730 PolarHBondContact O-OG1 3.32Å; N727-T731 VanDerWaalsContact O-CB 3.32Å; N727-T731 WeakPolarHBondContact O-CB 3.38Å; N727-T731 WeakPolarHBondContact O-CG2 3.38Å; N727-T731 PolarHBondContact O-N 3.35Å; N727-T731 PolarHBondContact O-OG1 3.47Å
728R86.3Confident81Confident111 Ų11169.9 Ų69.942%0.41937%0.365SS..Hα-helixtrans-56.5-51.5174.6-75.3178.4176.8-899.8111.5N724 I725 T730 E732N724-R728 VanDerWaalsContact O-CG 3.28Å; N724-R728 WeakPolarHBondContact O-CG 3.34Å; N724-R728 PolarHBondContact O-N 2.88Å; I725-R728 PolarHBondContact O-N 3.37Å; R728-T730 VanDerWaalsContact C-N 3.32Å; R728-T730 PolarHBondContact O-N 2.95Å; R728-E732 WeakPolarHBondContact CG-OE1 3.41Å; R728-E732 IonicContact CZ-OE1 3.51Å; R728-E732 IonicContact NH1-OE1 3.54Å; R728-E732 PolarHBondContact NH1-OE1 3.43Å; R728-E732 VanDerWaalsContact O-CB 3.24Å; R728-E732 WeakPolarHBondContact O-CB 3.4Å; R728-E732 WeakPolarHBondContact O-CG 3.28Å; R728-E732 PolarHBondContact O-N 2.97Å
729I87Confident80.9Confident32 Ų3267.7 Ų67.716%0.16435%0.352CS..Hα-helixtrans-64.7-35-179.9-61.9-63.4000112.3I725 F726 N727 V746 L750 L778 L782I725-I729 WeakPolarHBondContact O-CG1 3.3Å; I725-I729 PolarHBondContact O-N 2.93Å; I725-I729 VanDerWaalsContact O-N 3.1Å; F726-I729 PolarHBondContact O-N 3.48Å; N727-I729 PolarHBondContact O-N 3.37Å; I729-V746 HydrophobicContact CD1-CG1 4.35Å; I729-V746 HydrophobicContact CG1-CG1 4.25Å; I729-L750 HydrophobicContact CB-CD1 4.43Å; I729-L750 HydrophobicContact CG1-CD1 4.15Å; I729-L778 HydrophobicContact CG2-CD1 3.85Å; I729-L782 HydrophobicContact CG2-CD2 3.77Å
730T84.9Confident80.5Confident34 Ų3472.6 Ų72.621%0.20937%0.374CS..Hα-helixtrans-86.1-22.9-176.352.10000114.7F726 N727 R728 L778 A781F726-T730 HydrophobicContact CD1-CG2 4.13Å; F726-T730 HydrophobicContact CE1-CG2 3.74Å; F726-T730 HydrophobicContact CZ-CG2 3.96Å; F726-T730 WeakPolarHBondContact O-CB 3.44Å; F726-T730 WeakPolarHBondContact O-CG2 3.43Å; F726-T730 PolarHBondContact O-N 3.21Å; F726-T730 PolarHBondContact O-OG1 3.19Å; N727-T730 WeakPolarHBondContact CA-OG1 3.36Å; N727-T730 PolarHBondContact O-N 2.94Å; N727-T730 PolarHBondContact O-OG1 3.32Å; R728-T730 VanDerWaalsContact C-N 3.32Å; R728-T730 PolarHBondContact O-N 2.95Å; T730-L778 HydrophobicContact CG2-CD1 4.23Å; T730-A781 HydrophobicContact CG2-CB 4.09Å
731T78.8Confident80.3Confident103 Ų10373.9 Ų73.963%0.63237%0.373SS*.Hα-helixtrans-116.2-23.5-172.265.90000115.2N727N727-T731 VanDerWaalsContact O-CB 3.32Å; N727-T731 WeakPolarHBondContact O-CB 3.38Å; N727-T731 WeakPolarHBondContact O-CG2 3.38Å; N727-T731 PolarHBondContact O-N 3.35Å; N727-T731 PolarHBondContact O-OG1 3.47Å
732E64.8Low80.2Confident79 Ų7973.6 Ų73.637%0.36937%0.371SS..  trans-74.3141.6-175-73.3177.4170.700113R728R728-E732 WeakPolarHBondContact CG-OE1 3.41Å; R728-E732 IonicContact CZ-OE1 3.51Å; R728-E732 IonicContact NH1-OE1 3.54Å; R728-E732 PolarHBondContact NH1-OE1 3.43Å; R728-E732 VanDerWaalsContact O-CB 3.24Å; R728-E732 WeakPolarHBondContact O-CB 3.4Å; R728-E732 WeakPolarHBondContact O-CG 3.28Å; R728-E732 PolarHBondContact O-N 2.97Å
733N56.9Low80.1Confident123 Ų12375.7 Ų75.766%0.65838%0.38SS*.  trans-75.5161.7174-74.9-33.3000111.4S735N733-S735 PolarHBondContact O-N 2.98Å
734Q56.3Low80.1Confident121 Ų12173.1 Ų73.157%0.56537%0.369SS*.G310 helixtrans-51.1-13.4-173.3-59.6-179.1-19.800117D785Q734-D785 VanDerWaalsContact NE2-CG 3.3Å; Q734-D785 PolarHBondContact NE2-OD2 3.28Å
735S51.5Low80.3Confident110 Ų11070.1 Ų70.177%0.76935%0.351SS*.G310 helixtrans-82.1-6.4-171.851.40000116.2N733N733-S735 PolarHBondContact O-N 2.98Å
736Q62.6Low80.4Confident110 Ų11070 Ų7051%0.51435%0.351SS..G310 helixtrans-126.632.3177.9-65.4-173.5-3.900113.1L738Q736-L738 PolarHBondContact O-N 3.23Å
737R72.9Confident80.5Confident117 Ų11768.3 Ų68.344%0.44234%0.344SS..PPolyproline II helixtrans-64.6132.9-179.5-75-177.5-179.7176.90.9111.5T690 D785T690-R737 WeakPolarHBondContact CG2-O 3.5Å; R737-D785 IonicContact NH2-OD2 3.24Å; R737-D785 PolarHBondContact NH2-OD2 3.27Å
738L84.7Confident80.8Confident26 Ų2667.3 Ų67.314%0.13633%0.334CS..PPolyproline II helixtrans-61.5155.2169.1-63.5172.4000110.3I688 T690 L697 Q736 A742 H743 V746I688-L738 HydrophobicContact CG2-CD1 3.82Å; T690-L738 HydrophobicContact CG2-CD2 4.22Å; L697-L738 HydrophobicContact CD1-CD2 4.2Å; L697-L738 HydrophobicContact CD2-CD2 4.26Å; Q736-L738 PolarHBondContact O-N 3.23Å; L738-A742 HydrophobicContact CB-CB 4.49Å; L738-H743 HydrophobicContact CB-CB 4.14Å; L738-V746 HydrophobicContact CD1-CG2 4.25Å
739P87.9Confident81.2Confident48 Ų4862.2 Ų62.231%0.31232%0.315SS..PPolyproline II helixtrans-48.9148.6165.6-25.534.3000111.8L697 E741 A742 H743L697-P739 HydrophobicContact CD2-CG 4Å; P739-E741 PolarHBondContact O-N 3.33Å; P739-A742 PolarHBondContact O-N 2.7Å; P739-H743 WeakPolarHBondContact O-CB 3.3Å; P739-H743 PolarHBondContact O-N 3.03Å
740Q84.8Confident81.6Confident118 Ų11860.9 Ų60.955%0.55131%0.308SS*.Hα-helixtrans-57.4-43.8-168.1-174.6172.35.500113.2H743 M744Q740-H743 PolarHBondContact O-N 3.38Å; Q740-M744 WeakPolarHBondContact O-CB 3.5Å; Q740-M744 PolarHBondContact O-N 3.45Å
741E89Confident82.1Confident111 Ų11159.2 Ų59.252%0.51930%0.298SS..Hα-helixtrans-66.6-47.6179.1-64.3-171.8170.200112.3L698 P739 H743 M744 F745L698-E741 HydrophobicContact CD2-CB 4.02Å; P739-E741 PolarHBondContact O-N 3.33Å; E741-H743 VanDerWaalsContact C-N 3.32Å; E741-H743 PolarHBondContact O-N 2.94Å; E741-M744 WeakPolarHBondContact O-CB 3.43Å; E741-M744 PolarHBondContact O-N 3.02Å; E741-F745 HydrophobicContact CB-CE2 4.41Å; E741-F745 VanDerWaalsContact O-CD2 3.23Å; E741-F745 WeakPolarHBondContact O-CD2 3.4Å; E741-F745 PolarHBondContact O-N 2.8Å
742A90.3Very high82.8Confident1 Ų154.6 Ų54.61%0.00827%0.27CS..Hα-helixtrans-60.8-41.7176.400000111.7L697 L698 L738 P739 M744 F745 V746L697-A742 HydrophobicContact CD1-CB 4.14Å; L697-A742 HydrophobicContact CD2-CB 3.54Å; L697-A742 HydrophobicContact CG-CB 3.6Å; L698-A742 HydrophobicContact CD2-CB 4.12Å; L738-A742 HydrophobicContact CB-CB 4.49Å; P739-A742 PolarHBondContact O-N 2.7Å; A742-M744 PolarHBondContact O-N 3.34Å; A742-F745 PolarHBondContact O-N 3.05Å; A742-V746 WeakPolarHBondContact O-CB 3.43Å; A742-V746 VanDerWaalsContact O-CG2 3.26Å; A742-V746 WeakPolarHBondContact O-CG2 3.29Å; A742-V746 PolarHBondContact O-N 2.89Å
743H90.7Very high84.2Confident45 Ų4551.4 Ų51.421%0.20826%0.255CS..Hα-helixtrans-59.6-46.4175.5-173.261.9000111.3L738 P739 Q740 E741 V746 C747L738-H743 HydrophobicContact CB-CB 4.14Å; P739-H743 WeakPolarHBondContact O-CB 3.3Å; P739-H743 PolarHBondContact O-N 3.03Å; Q740-H743 PolarHBondContact O-N 3.38Å; E741-H743 VanDerWaalsContact C-N 3.32Å; E741-H743 PolarHBondContact O-N 2.94Å; H743-V746 PolarHBondContact O-N 3.41Å; H743-C747 WeakPolarHBondContact O-CB 3.35Å; H743-C747 PolarHBondContact O-N 2.93Å; H743-C747 PolarHBondContact O-SG 3.45Å
744M92.1Very high85.9Confident37 Ų3745.7 Ų45.718%0.18222%0.224CC..Hα-helixtrans-58.2-49.9176.7-176.6-179.768.800111.5Q740 E741 A742 V746 C747 R748 D818Q740-M744 WeakPolarHBondContact O-CB 3.5Å; Q740-M744 PolarHBondContact O-N 3.45Å; E741-M744 WeakPolarHBondContact O-CB 3.43Å; E741-M744 PolarHBondContact O-N 3.02Å; A742-M744 PolarHBondContact O-N 3.34Å; M744-V746 PolarHBondContact O-N 2.96Å; M744-C747 PolarHBondContact O-N 3.5Å; M744-R748 WeakPolarHBondContact O-CB 3.47Å; M744-R748 PolarHBondContact O-N 3.47Å; M744-D818 HydrophobicContact CG-CB 3.71Å; M744-D818 VanDerWaalsContact CG-CG 3.44Å; M744-D818 VanDerWaalsContact CG-OD2 3.29Å; M744-D818 WeakPolarHBondContact CG-OD2 3.48Å; M744-D818 HydrophobicContact SD-CB 3.87Å
745F93Very high87.7Confident25 Ų2539.9 Ų39.911%0.1120%0.197CC..Hα-helixtrans-63.2-41.7179.4-67.8-46.5000113.4L698 H702 V705 E741 A742 R748 A749L698-F745 HydrophobicContact CD2-CD2 4.15Å; L698-F745 HydrophobicContact CD2-CE2 4.17Å; H702-F745 AromaticContact CE1-CE1 3.72Å; H702-F745 AromaticContact CE1-CE2 3.49Å; H702-F745 VanDerWaalsContact CE1-CE2 3.49Å; H702-F745 WeakPolarHBondContact CE1-CE2 3.29Å; H702-F745 AromaticContact CE1-CZ 3.29Å; H702-F745 WeakPolarHBondContact CE1-CZ 3.39Å; H702-F745 AromaticContact NE2-CE2 3.45Å; H702-F745 WeakPolarHBondContact NE2-CE2 3.45Å; H702-F745 AromaticContact NE2-CZ 3.71Å; V705-F745 HydrophobicContact CG2-CB 4.06Å; V705-F745 HydrophobicContact CG2-CD1 4.48Å; V705-F745 WeakPolarHBondContact CG2-O 3.49Å; E741-F745 HydrophobicContact CB-CE2 4.41Å; E741-F745 VanDerWaalsContact O-CD2 3.23Å; E741-F745 WeakPolarHBondContact O-CD2 3.4Å; E741-F745 PolarHBondContact O-N 2.8Å; A742-F745 PolarHBondContact O-N 3.05Å; F745-R748 WeakPolarHBondContact O-CB 3.36Å; F745-R748 PolarHBondContact O-N 2.98Å; F745-A749 WeakPolarHBondContact O-CB 3.49Å; F745-A749 PolarHBondContact O-N 2.94Å
746V93.3Very high89.6Confident4 Ų434.9 Ų34.92%0.02416%0.162CC..Hα-helixtrans-64.5-44.2177.2172.80000110.8I688 I725 I729 L738 A742 H743 M744 R748 A749 L750I688-V746 HydrophobicContact CD1-CG2 4.32Å; I688-V746 HydrophobicContact CG2-CG1 4.45Å; I688-V746 HydrophobicContact CG2-CG2 3.68Å; I725-V746 HydrophobicContact CG2-CG1 3.63Å; I729-V746 HydrophobicContact CD1-CG1 4.35Å; I729-V746 HydrophobicContact CG1-CG1 4.25Å; L738-V746 HydrophobicContact CD1-CG2 4.25Å; A742-V746 WeakPolarHBondContact O-CB 3.43Å; A742-V746 VanDerWaalsContact O-CG2 3.26Å; A742-V746 WeakPolarHBondContact O-CG2 3.29Å; A742-V746 PolarHBondContact O-N 2.89Å; H743-V746 PolarHBondContact O-N 3.41Å; M744-V746 PolarHBondContact O-N 2.96Å; V746-R748 VanDerWaalsContact C-N 3.35Å; V746-R748 PolarHBondContact O-N 2.82Å; V746-A749 PolarHBondContact O-N 3.44Å; V746-L750 HydrophobicContact CG1-CD1 4.34Å; V746-L750 WeakPolarHBondContact O-CG 3.49Å; V746-L750 PolarHBondContact O-N 3.48Å
747C93.6Very high90.9Very high0 Ų031.2 Ų31.20%015%0.148CC..Hα-helixtrans-61.9-41.8175.1-70.60000112H743 M744 L750 S751 L782 V815H743-C747 WeakPolarHBondContact O-CB 3.35Å; H743-C747 PolarHBondContact O-N 2.93Å; H743-C747 PolarHBondContact O-SG 3.45Å; M744-C747 PolarHBondContact O-N 3.5Å; C747-L750 PolarHBondContact O-N 2.94Å; C747-S751 VanDerWaalsContact O-CB 3.32Å; C747-S751 WeakPolarHBondContact O-CB 3.34Å; C747-S751 PolarHBondContact O-N 2.92Å; C747-L782 HydrophobicContact CB-CD1 4.34Å; C747-L782 VanDerWaalsContact SG-CD2 3.53Å; C747-V815 HydrophobicContact CB-CG1 3.73Å
748R95Very high91.7Very high59 Ų5926.3 Ų26.322%0.22313%0.129CC..Hα-helixtrans-59-47.6173.7-165.4-166-66.7176.50.5111.1V705 M744 F745 V746 L750 S751 N752 D818V705-R748 HydrophobicContact CG2-CB 4.46Å; M744-R748 WeakPolarHBondContact O-CB 3.47Å; M744-R748 PolarHBondContact O-N 3.47Å; F745-R748 WeakPolarHBondContact O-CB 3.36Å; F745-R748 PolarHBondContact O-N 2.98Å; V746-R748 VanDerWaalsContact C-N 3.35Å; V746-R748 PolarHBondContact O-N 2.82Å; R748-L750 PolarHBondContact O-N 3.33Å; R748-S751 PolarHBondContact O-N 3.25Å; R748-N752 VanDerWaalsContact O-CB 3.25Å; R748-N752 WeakPolarHBondContact O-CB 3.38Å; R748-N752 PolarHBondContact O-N 3.43Å; R748-D818 WeakPolarHBondContact CB-OD2 3.29Å; R748-D818 IonicContact CZ-OD1 2.82Å; R748-D818 VanDerWaalsContact CZ-OD1 3.24Å; R748-D818 IonicContact CZ-OD2 2.82Å; R748-D818 VanDerWaalsContact NE-CG 3.33Å; R748-D818 IonicContact NE-OD1 3.94Å; R748-D818 PolarHBondContact NE-OD1 2.93Å; R748-D818 IonicContact NE-OD2 3.5Å; R748-D818 PolarHBondContact NE-OD2 3.14Å; R748-D818 VanDerWaalsContact NH2-CG 3.3Å; R748-D818 IonicContact NH2-OD1 4Å; R748-D818 PolarHBondContact NH2-OD1 3.3Å; R748-D818 IonicContact NH2-OD2 3.27Å; R748-D818 PolarHBondContact NH2-OD2 3.41Å
749A95Very high91.7Very high3 Ų326.7 Ų26.73%0.02513%0.133CC..Hα-helixtrans-60.8-47179.500000112.2M704 V705 T708 F745 V746 S751 N752 M753M704-A749 HydrophobicContact CB-CB 4.11Å; V705-A749 HydrophobicContact CG2-CB 3.9Å; T708-A749 WeakPolarHBondContact CB-O 3.35Å; T708-A749 HydrophobicContact CG2-CB 4.22Å; T708-A749 WeakPolarHBondContact CG2-O 3.13Å; T708-A749 WeakPolarHBondContact OG1-CA 3.34Å; T708-A749 PolarHBondContact OG1-O 2.93Å; F745-A749 WeakPolarHBondContact O-CB 3.49Å; F745-A749 PolarHBondContact O-N 2.94Å; V746-A749 PolarHBondContact O-N 3.44Å; A749-S751 PolarHBondContact O-N 3.12Å; A749-N752 PolarHBondContact O-N 3.08Å; A749-M753 WeakPolarHBondContact O-CB 3.43Å; A749-M753 PolarHBondContact O-N 2.72Å
750L95Very high91.4Very high4 Ų429.9 Ų29.92%0.02115%0.148CC..Hα-helixtrans-63.9-40.8177.2-66.9178.7000112V722 I725 F726 I729 V746 C747 R748 L754 L778V722-L750 HydrophobicContact CG1-CD2 4.21Å; I725-L750 HydrophobicContact CG2-CD1 4.33Å; I725-L750 HydrophobicContact CG2-CD2 4.46Å; F726-L750 HydrophobicContact CB-CD2 4.34Å; F726-L750 HydrophobicContact CD2-CD1 4.27Å; F726-L750 HydrophobicContact CD2-CD2 4.36Å; I729-L750 HydrophobicContact CB-CD1 4.43Å; I729-L750 HydrophobicContact CG1-CD1 4.15Å; V746-L750 HydrophobicContact CG1-CD1 4.34Å; V746-L750 WeakPolarHBondContact O-CG 3.49Å; V746-L750 PolarHBondContact O-N 3.48Å; C747-L750 PolarHBondContact O-N 2.94Å; R748-L750 PolarHBondContact O-N 3.33Å; L750-L754 WeakPolarHBondContact O-CG 3.21Å; L750-L754 PolarHBondContact O-N 2.95Å; L750-L778 HydrophobicContact CB-CD2 3.89Å; L750-L778 HydrophobicContact CD1-CD1 4.24Å
751S95.1Very high91.4Very high0 Ų026.9 Ų26.90%014%0.135CC..Hα-helixtrans-67.1-45.5177-173.70000111.6C747 R748 A749 M753 L754 L755 H775 I819C747-S751 VanDerWaalsContact O-CB 3.32Å; C747-S751 WeakPolarHBondContact O-CB 3.34Å; C747-S751 PolarHBondContact O-N 2.92Å; R748-S751 PolarHBondContact O-N 3.25Å; A749-S751 PolarHBondContact O-N 3.12Å; S751-M753 VanDerWaalsContact C-N 3.32Å; S751-M753 PolarHBondContact O-N 3.33Å; S751-L754 CarbonylContact O-C 3.41Å; S751-L754 WeakPolarHBondContact O-CA 3.19Å; S751-L754 PolarHBondContact O-N 3.24Å; S751-L755 WeakPolarHBondContact O-CB 3.24Å; S751-L755 WeakPolarHBondContact O-CG 3.38Å; S751-L755 PolarHBondContact O-N 3.45Å; S751-L755 VanDerWaalsContact OG-CD1 3.24Å; S751-L755 WeakPolarHBondContact OG-CD1 3.24Å; S751-H775 PolarHBondContact OG-CD2 2.93Å; S751-H775 PolarHBondContact OG-NE2 3.38Å; S751-I819 VanDerWaalsContact OG-CG2 3.27Å; S751-I819 WeakPolarHBondContact OG-CG2 3.27Å
752N94.8Very high91.3Very high5 Ų524.7 Ų24.73%0.02713%0.131CC..Hα-helixtrans-55.5-46.1175.8-80.1-10.5000111.9R748 A749 L754 L755 L756 S822R748-N752 VanDerWaalsContact O-CB 3.25Å; R748-N752 WeakPolarHBondContact O-CB 3.38Å; R748-N752 PolarHBondContact O-N 3.43Å; A749-N752 PolarHBondContact O-N 3.08Å; N752-L754 PolarHBondContact O-N 3.03Å; N752-L755 PolarHBondContact O-N 3.26Å; N752-L756 HydrophobicContact CB-CD1 3.65Å; N752-L756 HydrophobicContact CB-CG 4.15Å; N752-L756 VanDerWaalsContact O-CB 3.25Å; N752-L756 WeakPolarHBondContact O-CB 3.29Å; N752-L756 VanDerWaalsContact O-CG 3.29Å; N752-L756 WeakPolarHBondContact O-CG 3.45Å; N752-L756 PolarHBondContact O-N 3.36Å; N752-S822 PolarHBondContact OD1-OG 3.02Å
753M93.3Very high90.9Very high13 Ų1332.3 Ų32.36%0.06417%0.166CC..Hα-helixtrans-56.5-32.7175.3-175.5-17367.700112.7T708 L716 V717 V722 A749 S751 R771T708-M753 HydrophobicContact CG2-CB 4.03Å; L716-M753 HydrophobicContact CB-SD 4.39Å; L716-M753 HydrophobicContact CD2-CG 4.15Å; L716-M753 HydrophobicContact CD2-SD 4.18Å; L716-M753 HydrophobicContact CG-CG 4.47Å; L716-M753 HydrophobicContact CG-SD 3.99Å; V717-M753 HydrophobicContact CB-CE 4.49Å; V717-M753 HydrophobicContact CB-SD 4.28Å; V717-M753 HydrophobicContact CG1-CE 4.46Å; V717-M753 HydrophobicContact CG2-CE 3.97Å; V717-M753 HydrophobicContact CG2-CG 3.71Å; V717-M753 HydrophobicContact CG2-SD 3.65Å; V722-M753 HydrophobicContact CG1-CE 3.92Å; V722-M753 HydrophobicContact CG1-SD 3.65Å; A749-M753 WeakPolarHBondContact O-CB 3.43Å; A749-M753 PolarHBondContact O-N 2.72Å; S751-M753 VanDerWaalsContact C-N 3.32Å; S751-M753 PolarHBondContact O-N 3.33Å; M753-R771 PolarHBondContact O-NH2 3.49Å
754L93.3Very high90.6Very high2 Ų235.1 Ų35.11%0.0119%0.191CC..Hα-helixtrans-93.1-26.7-177-64173.6000113.6F726 L750 S751 N752 R771 H775 L778F726-L754 HydrophobicContact CE2-CD1 4.02Å; L750-L754 WeakPolarHBondContact O-CG 3.21Å; L750-L754 PolarHBondContact O-N 2.95Å; S751-L754 CarbonylContact O-C 3.41Å; S751-L754 WeakPolarHBondContact O-CA 3.19Å; S751-L754 PolarHBondContact O-N 3.24Å; N752-L754 PolarHBondContact O-N 3.03Å; L754-R771 VanDerWaalsContact O-CZ 3.26Å; L754-R771 PolarHBondContact O-NE 2.63Å; L754-R771 PolarHBondContact O-NH2 3.41Å; L754-R771 VanDerWaalsContact O-NH2 3.09Å; L754-H775 HydrophobicContact CB-CB 4.17Å; L754-H775 HydrophobicContact CD1-CB 4.11Å; L754-L778 HydrophobicContact CD1-CD2 4.45Å
755L93.3Very high90.4Very high0 Ų038.6 Ų38.60%021%0.207CC..Hα-helixtrans-101.6-33.5-174.8-65-178.4000114.1S751 N752 W768 H775 I819 I823 S830 I833 C834S751-L755 WeakPolarHBondContact O-CB 3.24Å; S751-L755 WeakPolarHBondContact O-CG 3.38Å; S751-L755 PolarHBondContact O-N 3.45Å; S751-L755 VanDerWaalsContact OG-CD1 3.24Å; S751-L755 WeakPolarHBondContact OG-CD1 3.24Å; N752-L755 PolarHBondContact O-N 3.26Å; L755-W768 WeakPolarHBondContact O-CZ3 3.43Å; L755-H775 HydrophobicContact CD2-CB 4.49Å; L755-I819 HydrophobicContact CD1-CG2 4.44Å; L755-I823 HydrophobicContact CB-CG2 4.16Å; L755-I823 HydrophobicContact CD1-CD1 4.33Å; L755-I823 HydrophobicContact CD1-CG2 3.91Å; L755-S830 WeakPolarHBondContact O-CB 3.46Å; L755-S830 PolarHBondContact O-OG 3.09Å; L755-I833 HydrophobicContact CD2-CB 4.01Å; L755-I833 HydrophobicContact CD2-CG2 3.6Å; L755-C834 HydrophobicContact CD1-CB 3.78Å; L755-C834 HydrophobicContact CD2-CB 4.22Å
756L92.4Very high90.1Very high4 Ų437.7 Ų37.72%0.02120%0.203CC..SBendtrans-79.1133.5-173.2-59.7179.8000111.5A709 N752 W758 R771 I823 E826A709-L756 HydrophobicContact CB-CD1 4.38Å; N752-L756 HydrophobicContact CB-CD1 3.65Å; N752-L756 HydrophobicContact CB-CG 4.15Å; N752-L756 VanDerWaalsContact O-CB 3.25Å; N752-L756 WeakPolarHBondContact O-CB 3.29Å; N752-L756 VanDerWaalsContact O-CG 3.29Å; N752-L756 WeakPolarHBondContact O-CG 3.45Å; N752-L756 PolarHBondContact O-N 3.36Å; L756-W758 PolarHBondContact O-N 3.49Å; L756-R771 PolarHBondContact O-NH1 3.25Å; L756-R771 PolarHBondContact O-NH2 3.47Å; L756-I823 HydrophobicContact CD2-CG2 4.16Å; L756-E826 HydrophobicContact CD2-CB 4.46Å; L756-E826 HydrophobicContact CD2-CG 3.52Å
757P89.9Confident90Very high34 Ų3443.2 Ų43.222%0.22123%0.228CC..PPolyproline II helixtrans-62.8137.9-179.626.7-33.9000110.9R712 W768R712-P757 WeakPolarHBondContact CD-O 3.48Å; P757-W768 HydrophobicContact CB-CH2 4.14Å; P757-W768 HydrophobicContact CB-CZ2 4.17Å
758W89.8Confident89.9Confident13 Ų1344.9 Ų44.95%0.04924%0.235CC..PPolyproline II helixtrans-69.1131.6172.1-64.9-42.1000109.6V714 V717 L756 L761 Q766 Q767V714-W758 HydrophobicContact CB-CD2 4.26Å; V714-W758 HydrophobicContact CB-CG 4.46Å; V714-W758 HydrophobicContact CG1-CD2 4.09Å; V714-W758 HydrophobicContact CG1-CE3 3.93Å; V714-W758 HydrophobicContact CG1-CH2 4.15Å; V714-W758 HydrophobicContact CG1-CZ2 4.3Å; V714-W758 HydrophobicContact CG1-CZ3 3.96Å; V714-W758 HydrophobicContact CG2-CB 3.81Å; V714-W758 HydrophobicContact CG2-CD2 3.87Å; V714-W758 HydrophobicContact CG2-CE3 4.15Å; V714-W758 HydrophobicContact CG2-CG 3.73Å; V717-W758 HydrophobicContact CG2-CZ2 4.37Å; L756-W758 PolarHBondContact O-N 3.49Å; W758-L761 HydrophobicContact CB-CD1 4.16Å; W758-L761 HydrophobicContact CD2-CD1 4.49Å; W758-L761 HydrophobicContact CE3-CD1 3.8Å; W758-Q766 WeakPolarHBondContact CZ3-O 3.3Å; W758-Q766 PolarHBondContact O-NE2 3.12Å; W758-Q767 HydrophobicContact CH2-CB 4.2Å; W758-Q767 HydrophobicContact CH2-CG 4.38Å; W758-Q767 HydrophobicContact CZ3-CB 4.19Å; W758-Q767 HydrophobicContact CZ3-CG 4.15Å
759P84.9Confident89.7Confident34 Ų3448.5 Ų48.522%0.22125%0.254CS..THydrogen-bonded Turntrans-69152.8178.326.5-28.3000109.8Y662 R712 L761Y662-P759 HydrophobicContact CD1-CG 3.92Å; Y662-P759 HydrophobicContact CE1-CG 3.78Å; R712-P759 HydrophobicContact CB-CG 4.23Å; R712-P759 WeakPolarHBondContact O-CD 3.45Å; P759-L761 PolarHBondContact O-N 3.26Å
760N81.6Confident89.5Confident116 Ų11652.5 Ų52.562%0.6228%0.279SS*.THydrogen-bonded Turntrans64.814.2175.8-49.1-37.1000116.3
761L84.8Confident89.3Confident54 Ų5452.6 Ų52.628%0.28328%0.279SS..  trans-119.1138.2173.5-72.7178.7000112.4V714 W758 P759 Q766V714-L761 HydrophobicContact CG1-CD1 4.25Å; V714-L761 HydrophobicContact CG2-CD1 3.48Å; V714-L761 VanDerWaalsContact CG2-CD1 3.48Å; V714-L761 HydrophobicContact CG2-CG 4.42Å; W758-L761 HydrophobicContact CB-CD1 4.16Å; W758-L761 HydrophobicContact CD2-CD1 4.49Å; W758-L761 HydrophobicContact CE3-CD1 3.8Å; P759-L761 PolarHBondContact O-N 3.26Å; L761-Q766 PolarHBondContact O-NE2 3.03Å; L761-Q766 VanDerWaalsContact O-NE2 3.08Å
762P85.4Confident89.3Confident66 Ų6653 Ų5343%0.42928%0.282SS..  trans-66.8158.1174.930.2-35.1000111.6S764 E765P762-S764 PolarHBondContact O-N 2.84Å; P762-S764 VanDerWaalsContact O-N 3.08Å; P762-E765 HydrophobicContact CG-CB 4.25Å; P762-E765 HydrophobicContact CG-CG 4.05Å; P762-E765 PolarHBondContact O-N 3.3Å
763E82.6Confident89.2Confident160 Ų16057.4 Ų57.475%0.74831%0.305SS*.G310 helixtrans-55.7-31.1-176.2-71.3-164.416000114.4E765E763-E765 VanDerWaalsContact C-N 3.28Å; E763-E765 PolarHBondContact O-N 3.34Å
764S84.3Confident89.2Confident105 Ų10558.6 Ų58.673%0.73431%0.314SS*.G310 helixtrans-65.8-27.8179500000113.6P762P762-S764 PolarHBondContact O-N 2.84Å; P762-S764 VanDerWaalsContact O-N 3.08Å
765E87.2Confident89.3Confident109 Ų10958.5 Ų58.551%0.50931%0.314SS..G310 helixtrans-99.4-0.4-173.9-67.2-179.8-163.200113P762 E763 Q767P762-E765 HydrophobicContact CG-CB 4.25Å; P762-E765 HydrophobicContact CG-CG 4.05Å; P762-E765 PolarHBondContact O-N 3.3Å; E763-E765 VanDerWaalsContact C-N 3.28Å; E763-E765 PolarHBondContact O-N 3.34Å; E765-Q767 PolarHBondContact O-N 2.85Å; E765-Q767 VanDerWaalsContact O-N 3.15Å
766Q88.1Confident89.3Confident7 Ų760.4 Ų60.43%0.03333%0.33CS..SBendtrans-71.3-5.4-179.2-68.2-71.7-23.900114.4W758 L761 W768 R771W758-Q766 WeakPolarHBondContact CZ3-O 3.3Å; W758-Q766 PolarHBondContact O-NE2 3.12Å; L761-Q766 PolarHBondContact O-NE2 3.03Å; L761-Q766 VanDerWaalsContact O-NE2 3.08Å; Q766-W768 HydrophobicContact CB-CD2 3.96Å; Q766-W768 VanDerWaalsContact CB-CE2 3.45Å; Q766-W768 HydrophobicContact CB-CG 4.1Å; Q766-W768 HydrophobicContact CB-CZ2 3.91Å; Q766-W768 VanDerWaalsContact CB-NE1 3.26Å; Q766-W768 HydrophobicContact CG-CZ2 4.02Å; Q766-W768 PolarHBondContact O-N 2.88Å; Q766-W768 VanDerWaalsContact O-N 3.15Å; Q766-R771 WeakPolarHBondContact O-CD 3.28Å
767Q90.4Very high89.3Confident119 Ų11963.1 Ų63.156%0.55635%0.349SS*.  trans5237.5179-58.6-179.20.900114.1W758 E765 Q769 T770 R771W758-Q767 HydrophobicContact CH2-CB 4.2Å; W758-Q767 HydrophobicContact CH2-CG 4.38Å; W758-Q767 HydrophobicContact CZ3-CB 4.19Å; W758-Q767 HydrophobicContact CZ3-CG 4.15Å; E765-Q767 PolarHBondContact O-N 2.85Å; E765-Q767 VanDerWaalsContact O-N 3.15Å; Q767-Q769 PolarHBondContact O-N 3.2Å; Q767-T770 PolarHBondContact O-N 2.92Å; Q767-R771 WeakPolarHBondContact O-CG 3.32Å; Q767-R771 PolarHBondContact O-N 3.08Å
768W91.3Very high89.5Confident35 Ų3561.5 Ų61.513%0.13334%0.339CS..Hα-helixtrans-53.8-33.6-173.2-71123.1000114.7L755 P757 Q766 S772 K829 I833L755-W768 WeakPolarHBondContact O-CZ3 3.43Å; P757-W768 HydrophobicContact CB-CH2 4.14Å; P757-W768 HydrophobicContact CB-CZ2 4.17Å; Q766-W768 HydrophobicContact CB-CD2 3.96Å; Q766-W768 VanDerWaalsContact CB-CE2 3.45Å; Q766-W768 HydrophobicContact CB-CG 4.1Å; Q766-W768 HydrophobicContact CB-CZ2 3.91Å; Q766-W768 VanDerWaalsContact CB-NE1 3.26Å; Q766-W768 HydrophobicContact CG-CZ2 4.02Å; Q766-W768 PolarHBondContact O-N 2.88Å; Q766-W768 VanDerWaalsContact O-N 3.15Å; W768-S772 WeakPolarHBondContact O-CB 3.42Å; W768-S772 PolarHBondContact O-N 2.96Å; W768-K829 HydrophobicContact CD2-CG 4.2Å; W768-K829 HydrophobicContact CG-CG 4.37Å; W768-I833 HydrophobicContact CB-CD1 4.3Å; W768-I833 HydrophobicContact CD2-CD1 4.03Å; W768-I833 HydrophobicContact CE3-CD1 3.41Å; W768-I833 VanDerWaalsContact CE3-CD1 3.41Å; W768-I833 HydrophobicContact CG-CD1 4.42Å; W768-I833 HydrophobicContact CZ3-CD1 4.06Å
769Q91.2Very high89.7Confident135 Ų13560.9 Ų60.963%0.63134%0.336SS*.Hα-helixtrans-65.9-48.8-178.9-1706141.200112.1Q767 R771 S772 N773Q767-Q769 PolarHBondContact O-N 3.2Å; Q769-R771 VanDerWaalsContact C-N 3.34Å; Q769-R771 PolarHBondContact O-N 3.2Å; Q769-S772 PolarHBondContact O-N 2.96Å; Q769-N773 PolarHBondContact NE2-OD1 3.43Å; Q769-N773 VanDerWaalsContact O-CG 3.3Å; Q769-N773 PolarHBondContact O-N 2.94Å
770T90.6Very high90Very high88 Ų8861 Ų6154%0.5434%0.34SS..Hα-helixtrans-64.3-41.5178.7-51.40000111.1Q767 N773 S774Q767-T770 PolarHBondContact O-N 2.92Å; T770-N773 PolarHBondContact O-N 3.27Å; T770-S774 PolarHBondContact O-N 3.08Å; T770-S774 PolarHBondContact O-OG 2.92Å
771R91.7Very high90.4Very high6 Ų656.9 Ų56.92%0.02332%0.322CS..Hα-helixtrans-66.4-41.6178.2-65175.967.3-1774.5112M753 L754 L756 Q766 Q767 Q769 S774 H775M753-R771 PolarHBondContact O-NH2 3.49Å; L754-R771 VanDerWaalsContact O-CZ 3.26Å; L754-R771 PolarHBondContact O-NE 2.63Å; L754-R771 PolarHBondContact O-NH2 3.41Å; L754-R771 VanDerWaalsContact O-NH2 3.09Å; L756-R771 PolarHBondContact O-NH1 3.25Å; L756-R771 PolarHBondContact O-NH2 3.47Å; Q766-R771 WeakPolarHBondContact O-CD 3.28Å; Q767-R771 WeakPolarHBondContact O-CG 3.32Å; Q767-R771 PolarHBondContact O-N 3.08Å; Q769-R771 VanDerWaalsContact C-N 3.34Å; Q769-R771 PolarHBondContact O-N 3.2Å; R771-S774 PolarHBondContact O-N 3.3Å; R771-H775 WeakPolarHBondContact O-CB 3.49Å; R771-H775 PolarHBondContact O-N 3.24Å
772S93.8Very high90.6Very high9 Ų955.5 Ų55.56%0.06332%0.315CS..Hα-helixtrans-60.6-46.8174.9-178.70000111.9W768 Q769 S774 H775 A776W768-S772 WeakPolarHBondContact O-CB 3.42Å; W768-S772 PolarHBondContact O-N 2.96Å; Q769-S772 PolarHBondContact O-N 2.96Å; S772-S774 VanDerWaalsContact C-N 3.33Å; S772-S774 PolarHBondContact O-N 3.43Å; S772-H775 PolarHBondContact O-N 3.28Å; S772-A776 WeakPolarHBondContact O-CB 3.25Å; S772-A776 PolarHBondContact O-N 2.9Å
773N93.6Very high90.9Very high96 Ų9652.4 Ų52.451%0.51330%0.295SS..Hα-helixtrans-60.9-42.5176.6-68.2-10.9000111.9Q769 T770 A776 S777Q769-N773 PolarHBondContact NE2-OD1 3.43Å; Q769-N773 VanDerWaalsContact O-CG 3.3Å; Q769-N773 PolarHBondContact O-N 2.94Å; T770-N773 PolarHBondContact O-N 3.27Å; N773-A776 PolarHBondContact O-N 3.48Å; N773-S777 PolarHBondContact O-N 2.9Å
774S92.4Very high91.1Very high38 Ų3852.6 Ų52.627%0.26629%0.289SS..Hα-helixtrans-66.7-39.8178.4-54.70000111.6T770 R771 S772 S777 L778T770-S774 PolarHBondContact O-N 3.08Å; T770-S774 PolarHBondContact O-OG 2.92Å; R771-S774 PolarHBondContact O-N 3.3Å; S772-S774 VanDerWaalsContact C-N 3.33Å; S772-S774 PolarHBondContact O-N 3.43Å; S774-S777 WeakPolarHBondContact O-CB 3.33Å; S774-S777 PolarHBondContact O-N 3.35Å; S774-L778 PolarHBondContact O-N 2.72Å
775H95.4Very high91.2Very high0 Ų049.5 Ų49.50%026%0.264CS..Hα-helixtrans-66.8-41.9176.6-175.3-93.4000111.6S751 L754 L755 R771 S772 S777 L778 V779 S837S751-H775 PolarHBondContact OG-CD2 2.93Å; S751-H775 PolarHBondContact OG-NE2 3.38Å; L754-H775 HydrophobicContact CB-CB 4.17Å; L754-H775 HydrophobicContact CD1-CB 4.11Å; L755-H775 HydrophobicContact CD2-CB 4.49Å; R771-H775 WeakPolarHBondContact O-CB 3.49Å; R771-H775 PolarHBondContact O-N 3.24Å; S772-H775 PolarHBondContact O-N 3.28Å; H775-S777 VanDerWaalsContact C-N 3.28Å; H775-S777 PolarHBondContact O-N 3.4Å; H775-L778 WeakPolarHBondContact O-CB 3.28Å; H775-L778 PolarHBondContact O-N 2.97Å; H775-V779 VanDerWaalsContact CE1-CG2 3.47Å; H775-V779 WeakPolarHBondContact CE1-CG2 3.41Å; H775-V779 WeakPolarHBondContact O-CG2 3.39Å; H775-V779 PolarHBondContact O-N 2.75Å; H775-S837 WeakPolarHBondContact ND1-CB 3.48Å; H775-S837 PolarHBondContact ND1-OG 3.45Å
776A94.3Very high91.2Very high40 Ų4044.3 Ų44.333%0.33124%0.24SC..Hα-helixtrans-59.6-40.1173.600000111.7S772 N773 A780S772-A776 WeakPolarHBondContact O-CB 3.25Å; S772-A776 PolarHBondContact O-N 2.9Å; N773-A776 PolarHBondContact O-N 3.48Å; A776-A780 VanDerWaalsContact O-CB 3.23Å; A776-A780 WeakPolarHBondContact O-CB 3.22Å; A776-A780 PolarHBondContact O-N 3.43Å
777S92.9Very high91.1Very high62 Ų6246.6 Ų46.643%0.43425%0.248SC..Hα-helixtrans-65.3-41174.9-170.40000112.7N773 S774 H775 A780 A781N773-S777 PolarHBondContact O-N 2.9Å; S774-S777 WeakPolarHBondContact O-CB 3.33Å; S774-S777 PolarHBondContact O-N 3.35Å; H775-S777 VanDerWaalsContact C-N 3.28Å; H775-S777 PolarHBondContact O-N 3.4Å; S777-A780 PolarHBondContact O-N 3.35Å; S777-A781 PolarHBondContact O-N 2.93Å; S777-A781 VanDerWaalsContact O-N 3.08Å
778L92.9Very high90.8Very high0 Ų046.6 Ų46.60%025%0.251CS..Hα-helixtrans-61.4-52.2176.1178.764.4000110.7F726 I729 T730 L750 L754 S774 H775 A780 A781 L782F726-L778 HydrophobicContact CE2-CB 3.95Å; F726-L778 HydrophobicContact CE2-CD1 4.23Å; F726-L778 HydrophobicContact CE2-CD2 4.47Å; F726-L778 HydrophobicContact CE2-CG 4.45Å; F726-L778 HydrophobicContact CZ-CB 4.23Å; I729-L778 HydrophobicContact CG2-CD1 3.85Å; T730-L778 HydrophobicContact CG2-CD1 4.23Å; L750-L778 HydrophobicContact CB-CD2 3.89Å; L750-L778 HydrophobicContact CD1-CD1 4.24Å; L754-L778 HydrophobicContact CD1-CD2 4.45Å; S774-L778 PolarHBondContact O-N 2.72Å; H775-L778 WeakPolarHBondContact O-CB 3.28Å; H775-L778 PolarHBondContact O-N 2.97Å; L778-A780 VanDerWaalsContact C-N 3.29Å; L778-A780 PolarHBondContact O-N 3.35Å; L778-A781 PolarHBondContact O-N 2.94Å; L778-A781 VanDerWaalsContact O-N 3.16Å; L778-L782 HydrophobicContact CD1-CD1 4.4Å; L778-L782 HydrophobicContact CD1-CG 4.49Å; L778-L782 HydrophobicContact CG-CD1 4.17Å; L778-L782 WeakPolarHBondContact O-CG 3.15Å; L778-L782 PolarHBondContact O-N 3.26Å
779V93.9Very high90.4Very high0 Ų045.7 Ų45.70%025%0.248CC..Hα-helixtrans-62.7-37.6179.4176.50000111.2H775 A781 L782 T783 S837 L838H775-V779 VanDerWaalsContact CE1-CG2 3.47Å; H775-V779 WeakPolarHBondContact CE1-CG2 3.41Å; H775-V779 WeakPolarHBondContact O-CG2 3.39Å; H775-V779 PolarHBondContact O-N 2.75Å; V779-A781 VanDerWaalsContact C-N 3.34Å; V779-A781 PolarHBondContact O-N 2.81Å; V779-L782 PolarHBondContact O-N 3.17Å; V779-T783 HydrophobicContact CG1-CG2 4.23Å; V779-T783 WeakPolarHBondContact O-CB 3.38Å; V779-T783 WeakPolarHBondContact O-CG2 3.42Å; V779-T783 PolarHBondContact O-N 3.35Å; V779-T783 PolarHBondContact O-OG1 3.22Å; V779-S837 WeakPolarHBondContact CG1-O 3.35Å; V779-L838 HydrophobicContact CG1-CD2 3.92Å
780A91.6Very high89.6Confident36 Ų3645.8 Ų45.830%0.29824%0.243SC..Hα-helixtrans-61.3-40.2175.200000112.9A776 S777 L778 R784 R787A776-A780 VanDerWaalsContact O-CB 3.23Å; A776-A780 WeakPolarHBondContact O-CB 3.22Å; A776-A780 PolarHBondContact O-N 3.43Å; S777-A780 PolarHBondContact O-N 3.35Å; L778-A780 VanDerWaalsContact C-N 3.29Å; L778-A780 PolarHBondContact O-N 3.35Å; A780-R784 PolarHBondContact O-N 3.18Å; A780-R784 VanDerWaalsContact O-N 3.13Å; A780-R787 VanDerWaalsContact CA-NH2 3.35Å
781A89.8Confident88.4Confident30 Ų3044.9 Ų44.925%0.24825%0.251CS..Hα-helixtrans-66.4-48.4174.600000111.8T730 S777 L778 V779 T783 R784T730-A781 HydrophobicContact CG2-CB 4.09Å; S777-A781 PolarHBondContact O-N 2.93Å; S777-A781 VanDerWaalsContact O-N 3.08Å; L778-A781 PolarHBondContact O-N 2.94Å; L778-A781 VanDerWaalsContact O-N 3.16Å; V779-A781 VanDerWaalsContact C-N 3.34Å; V779-A781 PolarHBondContact O-N 2.81Å; A781-T783 PolarHBondContact O-N 2.75Å; A781-R784 WeakPolarHBondContact O-CB 3.33Å; A781-R784 PolarHBondContact O-N 3.47Å
782L89.6Confident87.2Confident25 Ų2546 Ų4613%0.13126%0.259CS..Hα-helixtrans-60.7-30.6-179.8-65.7176.3000113.1I729 C747 L778 V779 V815 I819I729-L782 HydrophobicContact CG2-CD2 3.77Å; C747-L782 HydrophobicContact CB-CD1 4.34Å; C747-L782 VanDerWaalsContact SG-CD2 3.53Å; L778-L782 HydrophobicContact CD1-CD1 4.4Å; L778-L782 HydrophobicContact CD1-CG 4.49Å; L778-L782 HydrophobicContact CG-CD1 4.17Å; L778-L782 WeakPolarHBondContact O-CG 3.15Å; L778-L782 PolarHBondContact O-N 3.26Å; V779-L782 PolarHBondContact O-N 3.17Å; L782-V815 HydrophobicContact CD1-CG1 4.25Å; L782-I819 HydrophobicContact CD1-CD1 4.07Å
783T91.1Very high85.3Confident0 Ų049.5 Ų49.50%028%0.28CS..THydrogen-bonded Turntrans-107.111-174.5600000113V779 A781 D785 Y786 R787 T812 L816 S841V779-T783 HydrophobicContact CG1-CG2 4.23Å; V779-T783 WeakPolarHBondContact O-CB 3.38Å; V779-T783 WeakPolarHBondContact O-CG2 3.42Å; V779-T783 PolarHBondContact O-N 3.35Å; V779-T783 PolarHBondContact O-OG1 3.22Å; A781-T783 PolarHBondContact O-N 2.75Å; T783-D785 PolarHBondContact O-N 2.93Å; T783-Y786 WeakPolarHBondContact O-CB 3.49Å; T783-Y786 PolarHBondContact O-N 3.03Å; T783-Y786 VanDerWaalsContact O-N 3.17Å; T783-R787 WeakPolarHBondContact O-CB 3.45Å; T783-R787 VanDerWaalsContact O-CG 3.28Å; T783-R787 WeakPolarHBondContact O-CG 3.38Å; T783-R787 PolarHBondContact O-N 3.14Å; T783-R787 VanDerWaalsContact OG1-CZ 3.31Å; T783-R787 PolarHBondContact OG1-NE 3.47Å; T783-R787 PolarHBondContact OG1-NH2 2.95Å; T783-R787 VanDerWaalsContact OG1-NH2 3.07Å; T783-T812 HydrophobicContact CG2-CG2 3.9Å; T783-L816 HydrophobicContact CG2-CD1 3.77Å; T783-L816 HydrophobicContact CG2-CD2 3.76Å; T783-L816 HydrophobicContact CG2-CG 4.24Å; T783-S841 WeakPolarHBondContact CG2-OG 3.32Å
784R87.8Confident83.5Confident164 Ų16452.6 Ų52.662%0.61930%0.296SS*.Hα-helixtrans-53.8-53.5-177.4178.2178.4170.7170.3-2.8112.3A780 A781 Y786 I788A780-R784 PolarHBondContact O-N 3.18Å; A780-R784 VanDerWaalsContact O-N 3.13Å; A781-R784 WeakPolarHBondContact O-CB 3.33Å; A781-R784 PolarHBondContact O-N 3.47Å; R784-Y786 VanDerWaalsContact C-N 3.34Å; R784-I788 WeakPolarHBondContact O-CG1 3.18Å
785D84.8Confident81.8Confident41 Ų4153 Ų5322%0.21930%0.295CS..Hα-helixtrans-70-35.1-179.8-61-31000111.4Q734 R737 T783 I788 V808Q734-D785 VanDerWaalsContact NE2-CG 3.3Å; Q734-D785 PolarHBondContact NE2-OD2 3.28Å; R737-D785 IonicContact NH2-OD2 3.24Å; R737-D785 PolarHBondContact NH2-OD2 3.27Å; T783-D785 PolarHBondContact O-N 2.93Å; D785-I788 PolarHBondContact O-N 2.88Å; D785-V808 HydrophobicContact CB-CG1 4.08Å; D785-V808 HydrophobicContact CB-CG2 4.48Å
786Y87.8Confident79.9Confident0 Ų056.2 Ų56.20%032%0.317CS..Hα-helixtrans-65.8-41.1178.5-172.6-109.1000112.7T783 R784 I788 L789 V808 I809 T812 L813 V844 T845 L848T783-Y786 WeakPolarHBondContact O-CB 3.49Å; T783-Y786 PolarHBondContact O-N 3.03Å; T783-Y786 VanDerWaalsContact O-N 3.17Å; R784-Y786 VanDerWaalsContact C-N 3.34Å; Y786-I788 VanDerWaalsContact C-N 3.29Å; Y786-I788 PolarHBondContact O-N 3.45Å; Y786-L789 HydrophobicContact CD2-CD1 4.09Å; Y786-L789 VanDerWaalsContact O-CB 3.24Å; Y786-L789 WeakPolarHBondContact O-CB 3.4Å; Y786-L789 PolarHBondContact O-N 3.09Å; Y786-L789 VanDerWaalsContact O-N 3.11Å; Y786-V808 HydrophobicContact CD2-CG1 4.38Å; Y786-I809 HydrophobicContact CE2-CG1 4.03Å; Y786-T812 HydrophobicContact CG-CG2 4.13Å; Y786-L813 HydrophobicContact CE1-CD2 4.43Å; Y786-L813 HydrophobicContact CE2-CD2 4.37Å; Y786-V844 HydrophobicContact CD1-CB 4.46Å; Y786-V844 HydrophobicContact CD1-CG1 4.16Å; Y786-V844 HydrophobicContact CE1-CB 3.94Å; Y786-V844 HydrophobicContact CE1-CG1 3.75Å; Y786-T845 VanDerWaalsContact OH-CA 3.28Å; Y786-T845 WeakPolarHBondContact OH-CA 3.29Å; Y786-T845 VanDerWaalsContact OH-CB 3.32Å; Y786-T845 WeakPolarHBondContact OH-CB 3.29Å; Y786-T845 PolarHBondContact OH-OG1 2.89Å; Y786-L848 HydrophobicContact CE2-CD1 4.11Å
787R86.1Confident78Confident54 Ų5458.9 Ų58.920%0.20433%0.331CS..Hα-helixtrans-66.1-30.2179.5-73174.6-165.8-160.38.1112.8A780 T783 L789 R790 E840A780-R787 VanDerWaalsContact CA-NH2 3.35Å; T783-R787 WeakPolarHBondContact O-CB 3.45Å; T783-R787 VanDerWaalsContact O-CG 3.28Å; T783-R787 WeakPolarHBondContact O-CG 3.38Å; T783-R787 PolarHBondContact O-N 3.14Å; T783-R787 VanDerWaalsContact OG1-CZ 3.31Å; T783-R787 PolarHBondContact OG1-NE 3.47Å; T783-R787 PolarHBondContact OG1-NH2 2.95Å; T783-R787 VanDerWaalsContact OG1-NH2 3.07Å; R787-L789 PolarHBondContact O-N 3.02Å; R787-R790 WeakPolarHBondContact O-CB 3.43Å; R787-R790 PolarHBondContact O-N 3.09Å; R787-R790 VanDerWaalsContact O-N 3.1Å; R787-E840 WeakPolarHBondContact CD-OE2 3.4Å; R787-E840 HydrophobicContact CG-CG 4.39Å; R787-E840 IonicContact CZ-OE2 3.42Å; R787-E840 VanDerWaalsContact CZ-OE2 3.24Å; R787-E840 IonicContact NE-OE2 3.33Å; R787-E840 PolarHBondContact NE-OE2 3.29Å; R787-E840 IonicContact NH1-OE2 2.58Å; R787-E840 PolarHBondContact NH1-OE2 3.34Å
788I84.9Confident75.9Confident120 Ų12067.2 Ų67.262%0.61535%0.353SS*.Hα-helixtrans-62.2-29.1175.7-63.7167.8000110.6R784 D785 Y786 R790R784-I788 WeakPolarHBondContact O-CG1 3.18Å; D785-I788 PolarHBondContact O-N 2.88Å; Y786-I788 VanDerWaalsContact C-N 3.29Å; Y786-I788 PolarHBondContact O-N 3.45Å; I788-R790 PolarHBondContact O-N 3.43Å; I788-R790 VanDerWaalsContact O-N 3.11Å
789L82.4Confident74.2Confident15 Ų1572.4 Ų72.48%0.07938%0.377CS..G310 helixtrans-67-9.2177.4-54176.9000113.5Y786 R787 G791 T792 V805 V808 I809 L848Y786-L789 HydrophobicContact CD2-CD1 4.09Å; Y786-L789 VanDerWaalsContact O-CB 3.24Å; Y786-L789 WeakPolarHBondContact O-CB 3.4Å; Y786-L789 PolarHBondContact O-N 3.09Å; Y786-L789 VanDerWaalsContact O-N 3.11Å; R787-L789 PolarHBondContact O-N 3.02Å; L789-G791 PolarHBondContact O-N 3.08Å; L789-T792 HydrophobicContact CD2-CG2 4.29Å; L789-T792 PolarHBondContact O-N 2.94Å; L789-T792 VanDerWaalsContact O-N 3.09Å; L789-T792 PolarHBondContact O-OG1 2.59Å; L789-V805 HydrophobicContact CD1-CG1 3.94Å; L789-V805 HydrophobicContact CD2-CB 4.49Å; L789-V805 HydrophobicContact CD2-CG1 3.94Å; L789-V805 HydrophobicContact CD2-CG2 4.07Å; L789-V808 HydrophobicContact CD1-CB 4.34Å; L789-V808 HydrophobicContact CD1-CG1 3.95Å; L789-I809 HydrophobicContact CD1-CG1 4.29Å; L789-L848 HydrophobicContact CB-CD1 4.11Å; L789-L848 HydrophobicContact CB-CD2 4.43Å; L789-L848 HydrophobicContact CD1-CD1 4.38Å
790R75.3Confident71.9Confident137 Ų13778.8 Ų78.852%0.51742%0.419SS..G310 helixtrans-54.9-28.5175.8-172177.4175.8-172.8-1.1113.3R787 I788 V844R787-R790 WeakPolarHBondContact O-CB 3.43Å; R787-R790 PolarHBondContact O-N 3.09Å; R787-R790 VanDerWaalsContact O-N 3.1Å; I788-R790 PolarHBondContact O-N 3.43Å; I788-R790 VanDerWaalsContact O-N 3.11Å; R790-V844 HydrophobicContact CB-CG2 3.98Å; R790-V844 HydrophobicContact CG-CG2 4.23Å
791G65.3Low70.4Confident70 Ų7078.9 Ų78.972%0.72242%0.424SS*.G310 helixtrans-86.4-2.9-179.500000115.8L789 V793L789-G791 PolarHBondContact O-N 3.08Å; G791-V793 VanDerWaalsContact C-N 3.28Å; G791-V793 PolarHBondContact O-N 3.44Å
792T64.8Low69.5Low30 Ų3078.5 Ų78.518%0.18442%0.417CS..  trans-87.421-170600000115L789 N794 I795L789-T792 HydrophobicContact CD2-CG2 4.29Å; L789-T792 PolarHBondContact O-N 2.94Å; L789-T792 VanDerWaalsContact O-N 3.09Å; L789-T792 PolarHBondContact O-OG1 2.59Å; T792-N794 PolarHBondContact O-N 3.21Å; T792-I795 VanDerWaalsContact CB-CD1 3.49Å; T792-I795 HydrophobicContact CG2-CD1 3.73Å; T792-I795 WeakPolarHBondContact O-CG1 3.06Å; T792-I795 PolarHBondContact O-N 2.88Å
793V55.7Low68.6Low82 Ų8282.8 Ų82.850%0.49744%0.441SS..THydrogen-bonded Turntrans-62.5-13.9-171.4-177.50000113.8G791G791-V793 VanDerWaalsContact C-N 3.28Å; G791-V793 PolarHBondContact O-N 3.44Å
794N54.9Low68Low161 Ų16188.7 Ų88.786%0.86147%0.472SS*.THydrogen-bonded Turntrans-113.720.1-177.6-72.4-19.2000115.1T792 S796T792-N794 PolarHBondContact O-N 3.21Å; N794-S796 PolarHBondContact O-N 3.31Å
795I57.4Low67.7Low47 Ų4781.8 Ų81.824%0.24145%0.448CS..  trans-76119.5179.4-62.7-177.4000110.5T792 Q799 L802T792-I795 VanDerWaalsContact CB-CD1 3.49Å; T792-I795 HydrophobicContact CG2-CD1 3.73Å; T792-I795 WeakPolarHBondContact O-CG1 3.06Å; T792-I795 PolarHBondContact O-N 2.88Å; I795-Q799 HydrophobicContact CG2-CB 4.35Å; I795-L802 HydrophobicContact CG2-CD1 4.36Å
796S54.9Low67.6Low66 Ų6682.2 Ų82.246%0.46245%0.448SS..  trans-69139.5170.3175.30000110.5N794 R798 Q799N794-S796 PolarHBondContact O-N 3.31Å; S796-R798 PolarHBondContact O-N 3.41Å; S796-Q799 PolarHBondContact O-N 3.32Å
797P54.8Low67.5Low97 Ų9783.8 Ų83.863%0.6346%0.461SS*.THydrogen-bonded Turntrans-62.42-174.422.2-32.7000116
798R49Very low67.5Low236 Ų23682.5 Ų82.589%0.89146%0.459SS*.THydrogen-bonded Turntrans-111.39.9-178.9-68.5-175.5176173.7-0.9115.1S796S796-R798 PolarHBondContact O-N 3.41Å
799Q55.9Low67.6Low109 Ų10976.8 Ų76.851%0.50943%0.43SS..  trans-82.2139.6-179-81.2-170.5-14.400114I795 S796 G801I795-Q799 HydrophobicContact CG2-CB 4.35Å; S796-Q799 PolarHBondContact O-N 3.32Å; Q799-G801 PolarHBondContact O-N 3.36Å
800P46.5Very low67.8Low134 Ų13479.8 Ų79.887%0.8744%0.443SS*.THydrogen-bonded Turntrans-67.6120.1168.628-30.9000109.4
801G60.8Low68.3Low39 Ų3977.2 Ų77.240%0.40244%0.437SS..THydrogen-bonded Turntrans128.2-10.8-175.100000114.6Q799 D803 N804 V805Q799-G801 PolarHBondContact O-N 3.36Å; G801-D803 VanDerWaalsContact C-N 3.28Å; G801-D803 PolarHBondContact O-N 3.37Å; G801-N804 PolarHBondContact O-N 3.34Å; G801-V805 PolarHBondContact O-N 3.12Å
802L69.3Low69.5Low22 Ų2274.6 Ų74.612%0.11541%0.407CS..Hα-helixtrans-60.2-36.8177.4-162.369.3000112.2I795 N804 V805 K806 F852 Q855I795-L802 HydrophobicContact CG2-CD1 4.36Å; L802-N804 VanDerWaalsContact C-N 3.32Å; L802-N804 PolarHBondContact O-N 2.99Å; L802-V805 WeakPolarHBondContact O-CB 3.36Å; L802-V805 PolarHBondContact O-N 3.14Å; L802-V805 VanDerWaalsContact O-N 3.12Å; L802-K806 WeakPolarHBondContact O-CG 3.35Å; L802-K806 PolarHBondContact O-N 2.96Å; L802-F852 HydrophobicContact CD1-CE1 3.93Å; L802-F852 HydrophobicContact CD1-CZ 4.16Å; L802-F852 HydrophobicContact CG-CE1 4.47Å; L802-Q855 VanDerWaalsContact CD2-NE2 3.31Å
803D71.5Confident70.9Confident115 Ų11573.2 Ų73.262%0.61540%0.399SS*.Hα-helixtrans-66.2-33.1179.7-59.6-36.7000112.6G801 K806 A807G801-D803 VanDerWaalsContact C-N 3.28Å; G801-D803 PolarHBondContact O-N 3.37Å; D803-K806 PolarHBondContact O-N 3.27Å; D803-K806 IonicContact OD1-NZ 2.66Å; D803-A807 WeakPolarHBondContact O-CB 3.32Å; D803-A807 PolarHBondContact O-N 2.74Å
804N77.9Confident72.7Confident124 Ų12469.9 Ų69.966%0.66338%0.379SS*.Hα-helixtrans-67.1-38.5172.6-71.4-14.8000111.3G801 L802 A807 V808G801-N804 PolarHBondContact O-N 3.34Å; L802-N804 VanDerWaalsContact C-N 3.32Å; L802-N804 PolarHBondContact O-N 2.99Å; N804-A807 PolarHBondContact O-N 2.93Å; N804-V808 WeakPolarHBondContact O-CG2 3.48Å; N804-V808 PolarHBondContact O-N 2.98Å; N804-V808 VanDerWaalsContact O-N 3.12Å
805V81.3Confident74.4Confident19 Ų1962.5 Ų62.512%0.11534%0.34CS..Hα-helixtrans-65.5-43.5175.7179.50000110.7L789 G801 L802 V808 I809 F852L789-V805 HydrophobicContact CD1-CG1 3.94Å; L789-V805 HydrophobicContact CD2-CB 4.49Å; L789-V805 HydrophobicContact CD2-CG1 3.94Å; L789-V805 HydrophobicContact CD2-CG2 4.07Å; G801-V805 PolarHBondContact O-N 3.12Å; L802-V805 WeakPolarHBondContact O-CB 3.36Å; L802-V805 PolarHBondContact O-N 3.14Å; L802-V805 VanDerWaalsContact O-N 3.12Å; V805-V808 PolarHBondContact O-N 3.32Å; V805-I809 HydrophobicContact CG1-CD1 4.07Å; V805-I809 WeakPolarHBondContact O-CG1 3.32Å; V805-I809 PolarHBondContact O-N 3.38Å; V805-I809 VanDerWaalsContact O-N 3.13Å; V805-F852 HydrophobicContact CG1-CE2 4.24Å; V805-F852 HydrophobicContact CG1-CZ 3.71Å
806K83.9Confident76.2Confident50 Ų5060.3 Ų60.322%0.21733%0.328CS..Hα-helixtrans-60-46.1175.2-65-178.1-159.6-170.80111.9L802 D803 V808 I809 Q810 F852 V858L802-K806 WeakPolarHBondContact O-CG 3.35Å; L802-K806 PolarHBondContact O-N 2.96Å; D803-K806 PolarHBondContact O-N 3.27Å; D803-K806 IonicContact OD1-NZ 2.66Å; K806-V808 VanDerWaalsContact C-N 3.31Å; K806-V808 PolarHBondContact O-N 3.49Å; K806-I809 PolarHBondContact O-N 2.93Å; K806-I809 VanDerWaalsContact O-N 3.13Å; K806-Q810 WeakPolarHBondContact O-CB 3.27Å; K806-Q810 WeakPolarHBondContact O-CG 3.21Å; K806-Q810 PolarHBondContact O-N 2.99Å; K806-F852 HydrophobicContact CG-CE1 4.43Å; K806-V858 HydrophobicContact CB-CG2 4.3Å; K806-V858 HydrophobicContact CD-CG2 4.12Å; K806-V858 HydrophobicContact CG-CG2 3.82Å
807A84.3Confident78.1Confident33 Ų3360.7 Ų60.727%0.27332%0.32SS..Hα-helixtrans-59.3-41.9178.700000111.8D803 N804 I809 Q810 Q811D803-A807 WeakPolarHBondContact O-CB 3.32Å; D803-A807 PolarHBondContact O-N 2.74Å; N804-A807 PolarHBondContact O-N 2.93Å; A807-I809 PolarHBondContact O-N 3.41Å; A807-Q810 PolarHBondContact O-N 3.26Å; A807-Q811 VanDerWaalsContact O-CB 3.31Å; A807-Q811 WeakPolarHBondContact O-CB 3.5Å; A807-Q811 WeakPolarHBondContact O-CG 3.4Å; A807-Q811 PolarHBondContact O-N 3.17Å
808V86.7Confident80Confident27 Ų2756.8 Ų56.816%0.16429%0.294CS..Hα-helixtrans-62.6-41.9175.8173.50000111.5D785 Y786 L789 N804 V805 K806 T812D785-V808 HydrophobicContact CB-CG1 4.08Å; D785-V808 HydrophobicContact CB-CG2 4.48Å; Y786-V808 HydrophobicContact CD2-CG1 4.38Å; L789-V808 HydrophobicContact CD1-CB 4.34Å; L789-V808 HydrophobicContact CD1-CG1 3.95Å; N804-V808 WeakPolarHBondContact O-CG2 3.48Å; N804-V808 PolarHBondContact O-N 2.98Å; N804-V808 VanDerWaalsContact O-N 3.12Å; V805-V808 PolarHBondContact O-N 3.32Å; K806-V808 VanDerWaalsContact C-N 3.31Å; K806-V808 PolarHBondContact O-N 3.49Å; V808-T812 VanDerWaalsContact O-CB 3.28Å; V808-T812 WeakPolarHBondContact O-CB 3.4Å; V808-T812 PolarHBondContact O-N 2.92Å; V808-T812 PolarHBondContact O-OG1 3.21Å
809I87.3Confident82.2Confident0 Ų045.6 Ų45.60%025%0.251CS..Hα-helixtrans-63.9-50.6177.1-63.1162.4000110.5Y786 L789 V805 K806 A807 Q811 T812 L813 F852 V858 M862Y786-I809 HydrophobicContact CE2-CG1 4.03Å; L789-I809 HydrophobicContact CD1-CG1 4.29Å; V805-I809 HydrophobicContact CG1-CD1 4.07Å; V805-I809 WeakPolarHBondContact O-CG1 3.32Å; V805-I809 PolarHBondContact O-N 3.38Å; V805-I809 VanDerWaalsContact O-N 3.13Å; K806-I809 PolarHBondContact O-N 2.93Å; K806-I809 VanDerWaalsContact O-N 3.13Å; A807-I809 PolarHBondContact O-N 3.41Å; I809-Q811 VanDerWaalsContact C-N 3.26Å; I809-Q811 PolarHBondContact O-N 3.14Å; I809-T812 PolarHBondContact O-N 2.85Å; I809-L813 HydrophobicContact CG2-CD1 3.53Å; I809-L813 HydrophobicContact CG2-CG 4.03Å; I809-L813 WeakPolarHBondContact O-CB 3.3Å; I809-L813 PolarHBondContact O-N 3.45Å; I809-F852 HydrophobicContact CD1-CD2 4.22Å; I809-F852 HydrophobicContact CD1-CE2 3.81Å; I809-F852 HydrophobicContact CD1-CZ 4.01Å; I809-V858 HydrophobicContact CD1-CG1 3.83Å; I809-V858 HydrophobicContact CG2-CG1 4.02Å; I809-M862 HydrophobicContact CD1-CE 3.88Å; I809-M862 HydrophobicContact CG2-CE 4.19Å
810Q86.5Confident84Confident77 Ų7740.4 Ų40.436%0.3623%0.227SC..Hα-helixtrans-66.8-24.2-177.6-72175.5-32.400113.3K806 A807 P814K806-Q810 WeakPolarHBondContact O-CB 3.27Å; K806-Q810 WeakPolarHBondContact O-CG 3.21Å; K806-Q810 PolarHBondContact O-N 2.99Å; A807-Q810 PolarHBondContact O-N 3.26Å; Q810-P814 WeakPolarHBondContact O-CD 3.43Å; Q810-P814 WeakPolarHBondContact O-CG 3.29Å
811Q85.9Confident86.2Confident83 Ų8338.1 Ų38.139%0.38821%0.207SC..Hα-helixtrans-85.5-38.2174.2-71.4170.23.700112.4A807 I809A807-Q811 VanDerWaalsContact O-CB 3.31Å; A807-Q811 WeakPolarHBondContact O-CB 3.5Å; A807-Q811 WeakPolarHBondContact O-CG 3.4Å; A807-Q811 PolarHBondContact O-N 3.17Å; I809-Q811 VanDerWaalsContact C-N 3.26Å; I809-Q811 PolarHBondContact O-N 3.14Å
812T90.8Very high87.7Confident16 Ų1637.8 Ų37.810%0.09820%0.199CC..Hα-helixtrans-83.3-46.2-172.2-49.70000112.4T783 Y786 V808 I809 V815 L816T783-T812 HydrophobicContact CG2-CG2 3.9Å; Y786-T812 HydrophobicContact CG-CG2 4.13Å; V808-T812 VanDerWaalsContact O-CB 3.28Å; V808-T812 WeakPolarHBondContact O-CB 3.4Å; V808-T812 PolarHBondContact O-N 2.92Å; V808-T812 PolarHBondContact O-OG1 3.21Å; I809-T812 PolarHBondContact O-N 2.85Å; T812-V815 PolarHBondContact O-N 2.83Å; T812-L816 HydrophobicContact CG2-CD1 4.19Å; T812-L816 HydrophobicContact CG2-CG 4.28Å; T812-L816 WeakPolarHBondContact O-CG 3.34Å; T812-L816 PolarHBondContact O-N 3.41Å; T812-L816 VanDerWaalsContact O-N 3.16Å
813L92.8Very high88.8Confident0 Ų036.8 Ų36.80%019%0.194CC..Hα-helixtrans-64.1-40.2-172.8-69.9-173.9000113.9Y786 I809 V815 L816 R817 T845 M862 F865Y786-L813 HydrophobicContact CE1-CD2 4.43Å; Y786-L813 HydrophobicContact CE2-CD2 4.37Å; I809-L813 HydrophobicContact CG2-CD1 3.53Å; I809-L813 HydrophobicContact CG2-CG 4.03Å; I809-L813 WeakPolarHBondContact O-CB 3.3Å; I809-L813 PolarHBondContact O-N 3.45Å; L813-V815 VanDerWaalsContact C-N 3.3Å; L813-V815 PolarHBondContact O-N 2.64Å; L813-L816 PolarHBondContact O-N 3.38Å; L813-R817 VanDerWaalsContact O-CB 3.3Å; L813-R817 WeakPolarHBondContact O-CB 3.49Å; L813-R817 PolarHBondContact O-N 3.19Å; L813-T845 HydrophobicContact CD1-CG2 4.39Å; L813-T845 HydrophobicContact CD2-CG2 4.5Å; L813-M862 HydrophobicContact CD1-CB 4.44Å; L813-M862 HydrophobicContact CD1-CG 3.83Å; L813-F865 HydrophobicContact CD2-CB 4.36Å; L813-F865 HydrophobicContact CD2-CD1 3.89Å; L813-F865 HydrophobicContact CD2-CE1 4.28Å; L813-F865 HydrophobicContact CD2-CG 4.04Å
814P93.4Very high89.6Confident13 Ų1333.7 Ų33.78%0.08418%0.181CC..Hα-helixtrans-60-38.7175.8-27.738.1000113Q810 R817 D818Q810-P814 WeakPolarHBondContact O-CD 3.43Å; Q810-P814 WeakPolarHBondContact O-CG 3.29Å; P814-R817 WeakPolarHBondContact O-CB 3.49Å; P814-R817 PolarHBondContact O-N 3.07Å; P814-D818 VanDerWaalsContact O-CB 3.24Å; P814-D818 WeakPolarHBondContact O-CB 3.39Å; P814-D818 PolarHBondContact O-N 3.01Å
815V92.6Very high90Very high6 Ų632.9 Ų32.94%0.03619%0.185CC..Hα-helixtrans-65.7-43.2177.2-179.90000111.1C747 L782 T812 L813 D818 I819C747-V815 HydrophobicContact CB-CG1 3.73Å; L782-V815 HydrophobicContact CD1-CG1 4.25Å; T812-V815 PolarHBondContact O-N 2.83Å; L813-V815 VanDerWaalsContact C-N 3.3Å; L813-V815 PolarHBondContact O-N 2.64Å; V815-D818 WeakPolarHBondContact O-CB 3.48Å; V815-D818 PolarHBondContact O-N 3.34Å; V815-I819 HydrophobicContact CG1-CD1 4.22Å; V815-I819 WeakPolarHBondContact O-CG1 3.46Å; V815-I819 PolarHBondContact O-N 2.82Å; V815-I819 VanDerWaalsContact O-N 3.07Å
816L94.6Very high90.4Very high0 Ų033.6 Ų33.60%019%0.187CC..Hα-helixtrans-67.8-39.7177-58.9-175.5000112T783 T812 L813 D818 I819 V820 L838 F865T783-L816 HydrophobicContact CG2-CD1 3.77Å; T783-L816 HydrophobicContact CG2-CD2 3.76Å; T783-L816 HydrophobicContact CG2-CG 4.24Å; T812-L816 HydrophobicContact CG2-CD1 4.19Å; T812-L816 HydrophobicContact CG2-CG 4.28Å; T812-L816 WeakPolarHBondContact O-CG 3.34Å; T812-L816 PolarHBondContact O-N 3.41Å; T812-L816 VanDerWaalsContact O-N 3.16Å; L813-L816 PolarHBondContact O-N 3.38Å; L816-D818 VanDerWaalsContact C-N 3.29Å; L816-D818 PolarHBondContact O-N 2.95Å; L816-I819 PolarHBondContact O-N 3.14Å; L816-V820 VanDerWaalsContact O-CG2 3.32Å; L816-V820 WeakPolarHBondContact O-CG2 3.33Å; L816-V820 PolarHBondContact O-N 3.27Å; L816-V820 VanDerWaalsContact O-N 3.1Å; L816-L838 HydrophobicContact CB-CD2 4.3Å; L816-L838 HydrophobicContact CD1-CD2 4.21Å; L816-L838 HydrophobicContact CD2-CD2 3.75Å; L816-L838 HydrophobicContact CG-CD2 4.3Å; L816-F865 HydrophobicContact CB-CD2 4.2Å; L816-F865 HydrophobicContact CB-CE2 3.61Å; L816-F865 HydrophobicContact CB-CZ 4.23Å; L816-F865 HydrophobicContact CD1-CE2 4.46Å; L816-F865 HydrophobicContact CD1-CZ 4.29Å
817R94.9Very high90.4Very high75 Ų7533.4 Ų33.428%0.28319%0.192SC..Hα-helixtrans-57-48.2174.4-175.3-178.170.4-1543.2110.1L813 P814 I819 V820 D821 E861 F865 T868L813-R817 VanDerWaalsContact O-CB 3.3Å; L813-R817 WeakPolarHBondContact O-CB 3.49Å; L813-R817 PolarHBondContact O-N 3.19Å; P814-R817 WeakPolarHBondContact O-CB 3.49Å; P814-R817 PolarHBondContact O-N 3.07Å; R817-I819 PolarHBondContact O-N 3.24Å; R817-V820 PolarHBondContact O-N 3.3Å; R817-D821 PolarHBondContact O-N 3.37Å; R817-E861 IonicContact NH1-OE2 2.71Å; R817-E861 PolarHBondContact NH1-OE2 3.39Å; R817-E861 VanDerWaalsContact NH1-OE2 3.14Å; R817-F865 HydrophobicContact CB-CD2 4.29Å; R817-T868 HydrophobicContact CG-CG2 4.03Å; R817-T868 VanDerWaalsContact CG-OG1 3.26Å; R817-T868 WeakPolarHBondContact CG-OG1 3.47Å
818D94.1Very high90.6Very high15 Ų1535.4 Ų35.48%0.0820%0.201CC..Hα-helixtrans-61.1-44-179.6-169.462.1000113.4M744 R748 P814 V815 L816 V820 D821 S822M744-D818 HydrophobicContact CG-CB 3.71Å; M744-D818 VanDerWaalsContact CG-CG 3.44Å; M744-D818 VanDerWaalsContact CG-OD2 3.29Å; M744-D818 WeakPolarHBondContact CG-OD2 3.48Å; M744-D818 HydrophobicContact SD-CB 3.87Å; R748-D818 WeakPolarHBondContact CB-OD2 3.29Å; R748-D818 IonicContact CZ-OD1 2.82Å; R748-D818 VanDerWaalsContact CZ-OD1 3.24Å; R748-D818 IonicContact CZ-OD2 2.82Å; R748-D818 VanDerWaalsContact NE-CG 3.33Å; R748-D818 IonicContact NE-OD1 3.94Å; R748-D818 PolarHBondContact NE-OD1 2.93Å; R748-D818 IonicContact NE-OD2 3.5Å; R748-D818 PolarHBondContact NE-OD2 3.14Å; R748-D818 VanDerWaalsContact NH2-CG 3.3Å; R748-D818 IonicContact NH2-OD1 4Å; R748-D818 PolarHBondContact NH2-OD1 3.3Å; R748-D818 IonicContact NH2-OD2 3.27Å; R748-D818 PolarHBondContact NH2-OD2 3.41Å; P814-D818 VanDerWaalsContact O-CB 3.24Å; P814-D818 WeakPolarHBondContact O-CB 3.39Å; P814-D818 PolarHBondContact O-N 3.01Å; V815-D818 WeakPolarHBondContact O-CB 3.48Å; V815-D818 PolarHBondContact O-N 3.34Å; L816-D818 VanDerWaalsContact C-N 3.29Å; L816-D818 PolarHBondContact O-N 2.95Å; D818-V820 VanDerWaalsContact C-N 3.31Å; D818-V820 PolarHBondContact O-N 2.95Å; D818-D821 PolarHBondContact O-N 3.34Å; D818-S822 PolarHBondContact O-N 3.4Å
819I94.7Very high90.7Very high0 Ų038.5 Ų38.50%021%0.212CC..Hα-helixtrans-59-43.4174.1-72.5167.2000111S751 L755 L782 V815 L816 R817 S822S751-I819 VanDerWaalsContact OG-CG2 3.27Å; S751-I819 WeakPolarHBondContact OG-CG2 3.27Å; L755-I819 HydrophobicContact CD1-CG2 4.44Å; L782-I819 HydrophobicContact CD1-CD1 4.07Å; V815-I819 HydrophobicContact CG1-CD1 4.22Å; V815-I819 WeakPolarHBondContact O-CG1 3.46Å; V815-I819 PolarHBondContact O-N 2.82Å; V815-I819 VanDerWaalsContact O-N 3.07Å; L816-I819 PolarHBondContact O-N 3.14Å; R817-I819 PolarHBondContact O-N 3.24Å; I819-S822 PolarHBondContact O-OG 3.25Å
820V94.9Very high90.9Very high0 Ų038.5 Ų38.50%021%0.212CC..Hα-helixtrans-68.7-42.2179.7176.20000111.5L816 R817 D818 S822 I823 S824 L838 T868 L869 A872 L873L816-V820 VanDerWaalsContact O-CG2 3.32Å; L816-V820 WeakPolarHBondContact O-CG2 3.33Å; L816-V820 PolarHBondContact O-N 3.27Å; L816-V820 VanDerWaalsContact O-N 3.1Å; R817-V820 PolarHBondContact O-N 3.3Å; D818-V820 VanDerWaalsContact C-N 3.31Å; D818-V820 PolarHBondContact O-N 2.95Å; V820-S822 VanDerWaalsContact C-N 3.29Å; V820-S822 PolarHBondContact O-N 3.09Å; V820-I823 WeakPolarHBondContact O-CG1 3.42Å; V820-I823 PolarHBondContact O-N 3.4Å; V820-S824 PolarHBondContact O-N 2.98Å; V820-L838 HydrophobicContact CG2-CD1 3.33Å; V820-T868 HydrophobicContact CB-CG2 4.03Å; V820-T868 HydrophobicContact CG1-CG2 3.85Å; V820-L869 HydrophobicContact CG1-CD2 4.26Å; V820-L869 HydrophobicContact CG2-CD2 3.92Å; V820-A872 HydrophobicContact CG1-CB 3.6Å; V820-L873 HydrophobicContact CG1-CD1 3.81Å; V820-L873 HydrophobicContact CG1-CG 3.92Å; V820-L873 HydrophobicContact CG2-CD1 3.97Å
821D93Very high91.3Very high86 Ų8637.5 Ų37.546%0.4621%0.205SC..Hα-helixtrans-62.4-39.2-179-16342.9000111.6R817 D818 I823 S824 T868R817-D821 PolarHBondContact O-N 3.37Å; D818-D821 PolarHBondContact O-N 3.34Å; D821-I823 PolarHBondContact O-N 3.49Å; D821-S824 WeakPolarHBondContact O-CB 3.42Å; D821-S824 PolarHBondContact O-N 2.76Å; D821-S824 VanDerWaalsContact O-N 3.13Å; D821-S824 PolarHBondContact O-OG 3.42Å; D821-T868 HydrophobicContact CB-CG2 3.98Å
822S91.8Very high91.6Very high33 Ų3337.8 Ų37.823%0.23121%0.207CC..THydrogen-bonded Turntrans-60.3-19.2179.174.90000115.2N752 D818 I819 V820N752-S822 PolarHBondContact OD1-OG 3.02Å; D818-S822 PolarHBondContact O-N 3.4Å; I819-S822 PolarHBondContact O-OG 3.25Å; V820-S822 VanDerWaalsContact C-N 3.29Å; V820-S822 PolarHBondContact O-N 3.09Å
823I92.8Very high91.7Very high0 Ų037.3 Ų37.30%020%0.204CC..THydrogen-bonded Turntrans-114.38.5-179.464.7158.9000113.6L755 L756 V820 D821 S825 E826 R831 C834 L873L755-I823 HydrophobicContact CB-CG2 4.16Å; L755-I823 HydrophobicContact CD1-CD1 4.33Å; L755-I823 HydrophobicContact CD1-CG2 3.91Å; L756-I823 HydrophobicContact CD2-CG2 4.16Å; V820-I823 WeakPolarHBondContact O-CG1 3.42Å; V820-I823 PolarHBondContact O-N 3.4Å; D821-I823 PolarHBondContact O-N 3.49Å; I823-S825 VanDerWaalsContact C-N 3.26Å; I823-S825 PolarHBondContact O-N 2.82Å; I823-E826 HydrophobicContact CB-CB 4.4Å; I823-E826 WeakPolarHBondContact O-CB 3.42Å; I823-E826 PolarHBondContact O-N 3.18Å; I823-E826 VanDerWaalsContact O-N 3.1Å; I823-R831 HydrophobicContact CD1-CG 4.05Å; I823-C834 HydrophobicContact CD1-CB 3.25Å; I823-C834 WeakPolarHBondContact CD1-SG 3.35Å; I823-L873 HydrophobicContact CD1-CD2 4.16Å
824S88.3Confident91.8Very high51 Ų5137.3 Ų37.336%0.35720%0.204SC..THydrogen-bonded Turntrans-58.2-36.6-173.357.60000113.3V820 D821V820-S824 PolarHBondContact O-N 2.98Å; D821-S824 WeakPolarHBondContact O-CB 3.42Å; D821-S824 PolarHBondContact O-N 2.76Å; D821-S824 VanDerWaalsContact O-N 3.13Å; D821-S824 PolarHBondContact O-OG 3.42Å
825S86.3Confident91.9Very high106 Ų10638 Ų3874%0.74121%0.205SC*.THydrogen-bonded Turntrans-90.20.5179.457.50000114.6I823I823-S825 VanDerWaalsContact C-N 3.26Å; I823-S825 PolarHBondContact O-N 2.82Å
826E88.6Confident91.9Very high34 Ų3443.7 Ų43.716%0.15923%0.231CC..SBendtrans-93176.5-168.4-69.8-75.6169.400114.1R712 L756 I823 R831R712-E826 IonicContact CZ-OE1 2.68Å; R712-E826 IonicContact NH1-OE1 3.58Å; R712-E826 PolarHBondContact NH1-OE1 3.21Å; R712-E826 IonicContact NH1-OE2 3.96Å; R712-E826 PolarHBondContact NH1-OE2 3.38Å; R712-E826 IonicContact NH2-OE1 3.25Å; R712-E826 PolarHBondContact NH2-OE1 2.93Å; L756-E826 HydrophobicContact CD2-CB 4.46Å; L756-E826 HydrophobicContact CD2-CG 3.52Å; I823-E826 HydrophobicContact CB-CB 4.4Å; I823-E826 WeakPolarHBondContact O-CB 3.42Å; I823-E826 PolarHBondContact O-N 3.18Å; I823-E826 VanDerWaalsContact O-N 3.1Å; E826-R831 PolarHBondContact O-NE 2.81Å; E826-R831 PolarHBondContact O-NH2 3.47Å; E826-R831 VanDerWaalsContact O-NH2 3.09Å
827S84.9Confident91.9Very high46 Ų4644.2 Ų44.232%0.32223%0.234SC..  trans-54.6152.9-177.2820000113.5K829 S830 R831S827-K829 PolarHBondContact O-N 3.02Å; S827-S830 PolarHBondContact O-N 3.49Å; S827-S830 PolarHBondContact OG-N 3.45Å; S827-S830 PolarHBondContact OG-OG 2.93Å; S827-R831 PolarHBondContact O-N 2.93Å
828T87.7Confident91.9Very high76 Ų7640.6 Ų40.647%0.46622%0.221SC..Hα-helixtrans-57.6-34.2177-52.10000112R831 Q832T828-R831 PolarHBondContact O-N 3.43Å; T828-Q832 HydrophobicContact CG2-CG 4.49Å; T828-Q832 VanDerWaalsContact O-CG 3.28Å; T828-Q832 WeakPolarHBondContact O-CG 3.21Å; T828-Q832 PolarHBondContact O-N 3.07Å
829K89.6Confident91.8Very high91 Ų9145.1 Ų45.140%0.39624%0.241SC..Hα-helixtrans-68.3-45.3-178.9-169.267.8176.9-177.20112.1W768 S827 R831 Q832 I833W768-K829 HydrophobicContact CD2-CG 4.2Å; W768-K829 HydrophobicContact CG-CG 4.37Å; S827-K829 PolarHBondContact O-N 3.02Å; K829-R831 VanDerWaalsContact C-N 3.3Å; K829-R831 PolarHBondContact O-N 3.37Å; K829-Q832 WeakPolarHBondContact O-CB 3.37Å; K829-Q832 PolarHBondContact O-N 3.41Å; K829-I833 HydrophobicContact CG-CD1 4.27Å; K829-I833 WeakPolarHBondContact O-CG1 3.4Å; K829-I833 PolarHBondContact O-N 2.93Å
830S91.3Very high91.6Very high0 Ų048.7 Ų48.70%026%0.258CS..Hα-helixtrans-56.7-46174.6-56.60000111.1L755 S827 Q832 I833 C834L755-S830 WeakPolarHBondContact O-CB 3.46Å; L755-S830 PolarHBondContact O-OG 3.09Å; S827-S830 PolarHBondContact O-N 3.49Å; S827-S830 PolarHBondContact OG-N 3.45Å; S827-S830 PolarHBondContact OG-OG 2.93Å; S830-Q832 PolarHBondContact O-N 3.08Å; S830-I833 PolarHBondContact O-N 3.12Å; S830-C834 WeakPolarHBondContact O-CB 3.34Å; S830-C834 PolarHBondContact O-N 3.24Å
831R93.6Very high91.5Very high56 Ų5648.7 Ų48.721%0.21126%0.258CS..Hα-helixtrans-63.4-39.3175.9-73.1-174.2-82165.8-8.7113.3I823 E826 S827 T828 K829 Y835 A872 L873 Q876I823-R831 HydrophobicContact CD1-CG 4.05Å; E826-R831 PolarHBondContact O-NE 2.81Å; E826-R831 PolarHBondContact O-NH2 3.47Å; E826-R831 VanDerWaalsContact O-NH2 3.09Å; S827-R831 PolarHBondContact O-N 2.93Å; T828-R831 PolarHBondContact O-N 3.43Å; K829-R831 VanDerWaalsContact C-N 3.3Å; K829-R831 PolarHBondContact O-N 3.37Å; R831-Y835 WeakPolarHBondContact O-CB 3.35Å; R831-Y835 PolarHBondContact O-N 2.94Å; R831-A872 WeakPolarHBondContact CD-O 3.37Å; R831-L873 HydrophobicContact CB-CD2 3.49Å; R831-L873 VanDerWaalsContact CB-CD2 3.49Å; R831-L873 HydrophobicContact CG-CD2 3.69Å; R831-L873 WeakPolarHBondContact O-CD2 3.36Å; R831-Q876 HydrophobicContact CB-CG 4.09Å; R831-Q876 VanDerWaalsContact CB-NE2 3.31Å
832Q92.9Very high91.5Very high90 Ų9044.6 Ų44.642%0.42124%0.236SC..Hα-helixtrans-61.9-47.4174.8-77.7172.1-400112.1T828 K829 S830 Y835 Q836 Q876T828-Q832 HydrophobicContact CG2-CG 4.49Å; T828-Q832 VanDerWaalsContact O-CG 3.28Å; T828-Q832 WeakPolarHBondContact O-CG 3.21Å; T828-Q832 PolarHBondContact O-N 3.07Å; K829-Q832 WeakPolarHBondContact O-CB 3.37Å; K829-Q832 PolarHBondContact O-N 3.41Å; S830-Q832 PolarHBondContact O-N 3.08Å; Q832-Y835 PolarHBondContact O-N 3.38Å; Q832-Q836 WeakPolarHBondContact O-CB 3.43Å; Q832-Q836 PolarHBondContact O-N 3.01Å; Q832-Q876 HydrophobicContact CG-CG 4.02Å
833I93.7Very high91.4Very high6 Ų645.9 Ų45.93%0.03124%0.238CC..Hα-helixtrans-64.1-42.6-179.9-65.6168.7000110.8L755 W768 K829 S830 Q836 S837L755-I833 HydrophobicContact CD2-CB 4.01Å; L755-I833 HydrophobicContact CD2-CG2 3.6Å; W768-I833 HydrophobicContact CB-CD1 4.3Å; W768-I833 HydrophobicContact CD2-CD1 4.03Å; W768-I833 HydrophobicContact CE3-CD1 3.41Å; W768-I833 VanDerWaalsContact CE3-CD1 3.41Å; W768-I833 HydrophobicContact CG-CD1 4.42Å; W768-I833 HydrophobicContact CZ3-CD1 4.06Å; K829-I833 HydrophobicContact CG-CD1 4.27Å; K829-I833 WeakPolarHBondContact O-CG1 3.4Å; K829-I833 PolarHBondContact O-N 2.93Å; S830-I833 PolarHBondContact O-N 3.12Å; I833-Q836 PolarHBondContact O-N 3.01Å; I833-S837 PolarHBondContact O-N 3.3Å; I833-S837 VanDerWaalsContact O-N 3.15Å; I833-S837 PolarHBondContact O-OG 3.2Å
834C94.8Very high91.4Very high0 Ų045.9 Ų45.90%024%0.238CC..Hα-helixtrans-60.4-50.7176.3-172.40000111.5L755 I823 S830 Q836 S837 L838L755-C834 HydrophobicContact CD1-CB 3.78Å; L755-C834 HydrophobicContact CD2-CB 4.22Å; I823-C834 HydrophobicContact CD1-CB 3.25Å; I823-C834 WeakPolarHBondContact CD1-SG 3.35Å; S830-C834 WeakPolarHBondContact O-CB 3.34Å; S830-C834 PolarHBondContact O-N 3.24Å; C834-Q836 PolarHBondContact O-N 3.24Å; C834-S837 PolarHBondContact O-N 2.95Å; C834-S837 VanDerWaalsContact O-N 3.17Å; C834-L838 WeakPolarHBondContact O-CG 3.34Å; C834-L838 PolarHBondContact O-N 3.42Å; C834-L838 VanDerWaalsContact SG-CD1 3.55Å
835Y94.6Very high91.5Very high27 Ų2743.4 Ų43.411%0.10622%0.221CC..Hα-helixtrans-60.8-43.6177.7178.6-114.8000112.6R831 Q832 S837 L838 Q839 Q876 M877R831-Y835 WeakPolarHBondContact O-CB 3.35Å; R831-Y835 PolarHBondContact O-N 2.94Å; Q832-Y835 PolarHBondContact O-N 3.38Å; Y835-S837 PolarHBondContact O-N 2.94Å; Y835-L838 CarbonylContact O-C 3.55Å; Y835-L838 PolarHBondContact O-N 3.26Å; Y835-Q839 PolarHBondContact O-N 3.19Å; Y835-Q876 HydrophobicContact CD1-CB 4.14Å; Y835-Q876 WeakPolarHBondContact CD1-O 3.37Å; Y835-Q876 WeakPolarHBondContact CE1-O 3.32Å; Y835-Q876 HydrophobicContact CG-CB 4.16Å; Y835-M877 HydrophobicContact CD2-CG 3.87Å; Y835-M877 HydrophobicContact CE2-CB 4.26Å; Y835-M877 HydrophobicContact CE2-CG 3.44Å; Y835-M877 VanDerWaalsContact CE2-CG 3.44Å
836Q93.9Very high91.8Very high126 Ų12638.8 Ų38.859%0.58919%0.188SC*.Hα-helixtrans-56-38.1177.5-176.1179.17.200111.9Q832 I833 C834Q832-Q836 WeakPolarHBondContact O-CB 3.43Å; Q832-Q836 PolarHBondContact O-N 3.01Å; I833-Q836 PolarHBondContact O-N 3.01Å; C834-Q836 PolarHBondContact O-N 3.24Å
837S93.9Very high91.7Very high10 Ų1039.7 Ų39.77%0.0719%0.194CC..Hα-helixtrans-76.3-30.7179.1-53.90000112.8H775 V779 I833 C834 Y835H775-S837 WeakPolarHBondContact ND1-CB 3.48Å; H775-S837 PolarHBondContact ND1-OG 3.45Å; V779-S837 WeakPolarHBondContact CG1-O 3.35Å; I833-S837 PolarHBondContact O-N 3.3Å; I833-S837 VanDerWaalsContact O-N 3.15Å; I833-S837 PolarHBondContact O-OG 3.2Å; C834-S837 PolarHBondContact O-N 2.95Å; C834-S837 VanDerWaalsContact O-N 3.17Å; Y835-S837 PolarHBondContact O-N 2.94Å
838L93.9Very high91.9Very high0 Ų037.6 Ų37.60%018%0.179CC..Hα-helixtrans-90-14.5-177.4-69.7171.5000114.3V779 L816 V820 C834 Y835 E840 S841 V842 L873V779-L838 HydrophobicContact CG1-CD2 3.92Å; L816-L838 HydrophobicContact CB-CD2 4.3Å; L816-L838 HydrophobicContact CD1-CD2 4.21Å; L816-L838 HydrophobicContact CD2-CD2 3.75Å; L816-L838 HydrophobicContact CG-CD2 4.3Å; V820-L838 HydrophobicContact CG2-CD1 3.33Å; C834-L838 WeakPolarHBondContact O-CG 3.34Å; C834-L838 PolarHBondContact O-N 3.42Å; C834-L838 VanDerWaalsContact SG-CD1 3.55Å; Y835-L838 CarbonylContact O-C 3.55Å; Y835-L838 PolarHBondContact O-N 3.26Å; L838-E840 PolarHBondContact O-N 2.88Å; L838-E840 VanDerWaalsContact O-N 3.09Å; L838-S841 WeakPolarHBondContact O-CA 3.39Å; L838-S841 WeakPolarHBondContact O-CB 3.24Å; L838-S841 PolarHBondContact O-N 3.24Å; L838-V842 HydrophobicContact CB-CG2 4.44Å; L838-V842 WeakPolarHBondContact O-CG2 3.3Å; L838-V842 PolarHBondContact O-N 3.18Å; L838-L873 HydrophobicContact CD1-CD1 4.36Å
839Q92.2Very high91.9Very high109 Ų10934 Ų3451%0.50916%0.157SC..Hα-helixtrans-49.2-43-171.1-173.2-179.61.500113.3Y835 V842 Q843Y835-Q839 PolarHBondContact O-N 3.19Å; Q839-V842 PolarHBondContact O-N 3.05Å; Q839-Q843 PolarHBondContact O-N 3.29Å; Q839-Q843 VanDerWaalsContact O-N 3.16Å
840E91.1Very high91.8Very high76 Ų7632.4 Ų32.436%0.35516%0.156SC..Hα-helixtrans-64.9-44.6177.2-171.3174.5-166.300112R787 L838 V842 Q843 V844R787-E840 WeakPolarHBondContact CD-OE2 3.4Å; R787-E840 HydrophobicContact CG-CG 4.39Å; R787-E840 IonicContact CZ-OE2 3.42Å; R787-E840 VanDerWaalsContact CZ-OE2 3.24Å; R787-E840 IonicContact NE-OE2 3.33Å; R787-E840 PolarHBondContact NE-OE2 3.29Å; R787-E840 IonicContact NH1-OE2 2.58Å; R787-E840 PolarHBondContact NH1-OE2 3.34Å; L838-E840 PolarHBondContact O-N 2.88Å; L838-E840 VanDerWaalsContact O-N 3.09Å; E840-V842 VanDerWaalsContact C-N 3.33Å; E840-V842 PolarHBondContact O-N 2.92Å; E840-Q843 PolarHBondContact O-N 3Å; E840-V844 WeakPolarHBondContact O-CG2 3.09Å; E840-V844 PolarHBondContact O-N 3.3Å
841S92.6Very high91.5Very high0 Ų034.9 Ų34.90%017%0.171CC..Hα-helixtrans-63.3-37.6177.8-52.70000112.3T783 L838 Q843 V844 T845T783-S841 WeakPolarHBondContact CG2-OG 3.32Å; L838-S841 WeakPolarHBondContact O-CA 3.39Å; L838-S841 WeakPolarHBondContact O-CB 3.24Å; L838-S841 PolarHBondContact O-N 3.24Å; S841-Q843 VanDerWaalsContact C-N 3.35Å; S841-V844 PolarHBondContact O-N 3.26Å; S841-T845 PolarHBondContact O-N 3.01Å; S841-T845 PolarHBondContact O-OG1 3.36Å
842V92.9Very high91.1Very high0 Ų032.4 Ų32.40%016%0.162CC..Hα-helixtrans-62.4-44.3174.4-176.70000110.4L838 Q839 E840 T845 L846 F865 F866 L869 M877 F881L838-V842 HydrophobicContact CB-CG2 4.44Å; L838-V842 WeakPolarHBondContact O-CG2 3.3Å; L838-V842 PolarHBondContact O-N 3.18Å; Q839-V842 PolarHBondContact O-N 3.05Å; E840-V842 VanDerWaalsContact C-N 3.33Å; E840-V842 PolarHBondContact O-N 2.92Å; V842-T845 PolarHBondContact O-N 2.94Å; V842-L846 PolarHBondContact O-N 3.44Å; V842-F865 HydrophobicContact CG2-CE1 4.27Å; V842-F865 HydrophobicContact CG2-CZ 4.24Å; V842-F866 HydrophobicContact CG1-CE1 3.91Å; V842-L869 HydrophobicContact CB-CD1 4.49Å; V842-L869 HydrophobicContact CG1-CD1 4.04Å; V842-L869 HydrophobicContact CG2-CD1 3.68Å; V842-L869 HydrophobicContact CG2-CD2 4.38Å; V842-M877 HydrophobicContact CG1-CE 4.44Å; V842-F881 HydrophobicContact CG1-CE1 3.81Å; V842-F881 HydrophobicContact CG1-CZ 4.22Å
843Q91Very high90.7Very high59 Ų5929.2 Ų29.228%0.27615%0.147SC..Hα-helixtrans-65.4-40.8177.6-172.56250.900112.6Q839 E840 S841 T845 L846 N847Q839-Q843 PolarHBondContact O-N 3.29Å; Q839-Q843 VanDerWaalsContact O-N 3.16Å; E840-Q843 PolarHBondContact O-N 3Å; S841-Q843 VanDerWaalsContact C-N 3.35Å; Q843-T845 VanDerWaalsContact C-N 3.34Å; Q843-L846 PolarHBondContact O-N 2.87Å; Q843-N847 PolarHBondContact NE2-OD1 3.46Å; Q843-N847 VanDerWaalsContact O-CG 3.22Å; Q843-N847 PolarHBondContact O-N 3.42Å; Q843-N847 PolarHBondContact O-OD1 3Å
844V91Very high90.1Very high0 Ų036.6 Ų36.60%018%0.182CC..Hα-helixtrans-61.1-45.6174.9174.90000110.3Y786 R790 E840 S841 L846 N847 L848Y786-V844 HydrophobicContact CD1-CB 4.46Å; Y786-V844 HydrophobicContact CD1-CG1 4.16Å; Y786-V844 HydrophobicContact CE1-CB 3.94Å; Y786-V844 HydrophobicContact CE1-CG1 3.75Å; R790-V844 HydrophobicContact CB-CG2 3.98Å; R790-V844 HydrophobicContact CG-CG2 4.23Å; E840-V844 WeakPolarHBondContact O-CG2 3.09Å; E840-V844 PolarHBondContact O-N 3.3Å; S841-V844 PolarHBondContact O-N 3.26Å; V844-L846 VanDerWaalsContact C-N 3.33Å; V844-L846 PolarHBondContact O-N 3.46Å; V844-N847 PolarHBondContact O-N 2.96Å; V844-N847 VanDerWaalsContact O-N 3.16Å; V844-L848 HydrophobicContact CG1-CD1 3.83Å; V844-L848 HydrophobicContact CG1-CG 4.2Å; V844-L848 WeakPolarHBondContact O-CG 3.41Å; V844-L848 PolarHBondContact O-N 3.23Å
845T92.1Very high89.6Confident0 Ų038.5 Ų38.50%019%0.191CC..Hα-helixtrans-60.3-43.6178.2-45.30000111.6Y786 L813 S841 V842 Q843 N847 L848 F849 M862 F865 F866Y786-T845 VanDerWaalsContact OH-CA 3.28Å; Y786-T845 WeakPolarHBondContact OH-CA 3.29Å; Y786-T845 VanDerWaalsContact OH-CB 3.32Å; Y786-T845 WeakPolarHBondContact OH-CB 3.29Å; Y786-T845 PolarHBondContact OH-OG1 2.89Å; L813-T845 HydrophobicContact CD1-CG2 4.39Å; L813-T845 HydrophobicContact CD2-CG2 4.5Å; S841-T845 PolarHBondContact O-N 3.01Å; S841-T845 PolarHBondContact O-OG1 3.36Å; V842-T845 PolarHBondContact O-N 2.94Å; Q843-T845 VanDerWaalsContact C-N 3.34Å; T845-N847 VanDerWaalsContact C-N 3.31Å; T845-N847 PolarHBondContact O-N 3.17Å; T845-L848 PolarHBondContact O-N 3.43Å; T845-F849 PolarHBondContact O-N 2.89Å; T845-M862 HydrophobicContact CG2-CB 4.17Å; T845-M862 HydrophobicContact CG2-CG 3.95Å; T845-M862 HydrophobicContact CG2-SD 4.48Å; T845-F865 HydrophobicContact CG2-CD1 4.18Å; T845-F866 HydrophobicContact CG2-CD2 4.31Å; T845-F866 HydrophobicContact CG2-CE2 3.58Å; T845-F866 HydrophobicContact CG2-CZ 4.07Å
846L90.8Very high89.1Confident8 Ų839.7 Ų39.74%0.04220%0.202CC..Hα-helixtrans-62.7-37.4177.1-174.960000112.3V842 Q843 V844 P850 F866 F881 I885 T888V842-L846 PolarHBondContact O-N 3.44Å; Q843-L846 PolarHBondContact O-N 2.87Å; V844-L846 VanDerWaalsContact C-N 3.33Å; V844-L846 PolarHBondContact O-N 3.46Å; L846-P850 WeakPolarHBondContact O-CD 3.46Å; L846-F866 HydrophobicContact CB-CZ 4.11Å; L846-F866 HydrophobicContact CD1-CZ 4.44Å; L846-F881 HydrophobicContact CD2-CE2 4.03Å; L846-F881 HydrophobicContact CD2-CZ 4.2Å; L846-I885 HydrophobicContact CD1-CG1 4.07Å; L846-I885 HydrophobicContact CD2-CG1 3.94Å; L846-T888 HydrophobicContact CD1-CG2 4.21Å
847N88.3Confident88.7Confident54 Ų5438 Ų3829%0.28920%0.197SC..Hα-helixtrans-73.1-31.9177.5-68.4-6.4000112.9Q843 V844 T845Q843-N847 PolarHBondContact NE2-OD1 3.46Å; Q843-N847 VanDerWaalsContact O-CG 3.22Å; Q843-N847 PolarHBondContact O-N 3.42Å; Q843-N847 PolarHBondContact O-OD1 3Å; V844-N847 PolarHBondContact O-N 2.96Å; V844-N847 VanDerWaalsContact O-N 3.16Å; T845-N847 VanDerWaalsContact C-N 3.31Å; T845-N847 PolarHBondContact O-N 3.17Å
848L88.1Confident88.4Confident1 Ų137.7 Ų37.71%0.00519%0.194CC..Hα-helixtrans-79.4-26.2178-68.7178.2000112.6Y786 L789 V844 T845 V851 F852 M862Y786-L848 HydrophobicContact CE2-CD1 4.11Å; L789-L848 HydrophobicContact CB-CD1 4.11Å; L789-L848 HydrophobicContact CB-CD2 4.43Å; L789-L848 HydrophobicContact CD1-CD1 4.38Å; V844-L848 HydrophobicContact CG1-CD1 3.83Å; V844-L848 HydrophobicContact CG1-CG 4.2Å; V844-L848 WeakPolarHBondContact O-CG 3.41Å; V844-L848 PolarHBondContact O-N 3.23Å; T845-L848 PolarHBondContact O-N 3.43Å; L848-V851 WeakPolarHBondContact O-CB 3.43Å; L848-V851 PolarHBondContact O-N 2.99Å; L848-F852 HydrophobicContact CB-CD2 4.31Å; L848-F852 HydrophobicContact CD2-CE2 4.36Å; L848-F852 PolarHBondContact O-N 3.34Å; L848-M862 HydrophobicContact CB-CE 3.73Å; L848-M862 HydrophobicContact CD1-CE 4.47Å
849F88.7Confident88.2Confident1 Ų137.7 Ų37.70%0.00420%0.195CC..Hα-helixtrans-52.3-47.2-175.8-173.8-92.9000113.8T845 V851 F852 I853 T859 M862 L863 F889 F893T845-F849 PolarHBondContact O-N 2.89Å; F849-V851 VanDerWaalsContact C-N 3.25Å; F849-V851 PolarHBondContact O-N 2.97Å; F849-F852 PolarHBondContact O-N 2.98Å; F849-I853 HydrophobicContact CE1-CD1 4.33Å; F849-I853 PolarHBondContact O-N 3.08Å; F849-T859 HydrophobicContact CE2-CG2 3.88Å; F849-T859 HydrophobicContact CZ-CG2 4.25Å; F849-M862 HydrophobicContact CB-SD 4.39Å; F849-M862 HydrophobicContact CD2-CB 4.21Å; F849-M862 HydrophobicContact CD2-SD 4.21Å; F849-L863 HydrophobicContact CE2-CD2 3.66Å; F849-L863 HydrophobicContact CE2-CG 3.99Å; F849-L863 HydrophobicContact CZ-CD2 4.02Å; F849-F889 HydrophobicContact CD1-CD1 4.01Å; F849-F889 AromaticContact CD1-CE1 3.93Å; F849-F889 HydrophobicContact CD1-CE1 3.93Å; F849-F889 HydrophobicContact CD2-CE1 4.02Å; F849-F889 AromaticContact CE1-CD1 3.58Å; F849-F889 HydrophobicContact CE1-CD1 3.58Å; F849-F889 AromaticContact CE1-CE1 3.82Å; F849-F889 HydrophobicContact CE1-CE1 3.82Å; F849-F889 HydrophobicContact CE2-CD1 4.34Å; F849-F889 AromaticContact CE2-CE1 3.9Å; F849-F889 HydrophobicContact CE2-CE1 3.9Å; F849-F889 HydrophobicContact CG-CE1 4.03Å; F849-F889 AromaticContact CZ-CD1 3.76Å; F849-F889 HydrophobicContact CZ-CD1 3.76Å; F849-F889 AromaticContact CZ-CE1 3.8Å; F849-F889 HydrophobicContact CZ-CE1 3.8Å; F849-F893 HydrophobicContact CE1-CE2 4.31Å; F849-F893 AromaticContact CZ-CE2 3.68Å; F849-F893 HydrophobicContact CZ-CE2 3.68Å; F849-F893 AromaticContact CZ-CZ 3.79Å; F849-F893 HydrophobicContact CZ-CZ 3.79Å
850P87.1Confident88.2Confident57 Ų5732.9 Ų32.937%0.3717%0.172SC..Hα-helixtrans-64.2-26.2177.4-22.735.3000114.6L846 M892L846-P850 WeakPolarHBondContact O-CD 3.46Å; P850-M892 HydrophobicContact CB-CE 3.78Å; P850-M892 HydrophobicContact CG-CE 4.5Å
851V84.2Confident88.2Confident52 Ų5231.2 Ų31.232%0.31517%0.165SC..Hα-helixtrans-74.2-35.7-179.5-1770000110.8L848 F849L848-V851 WeakPolarHBondContact O-CB 3.43Å; L848-V851 PolarHBondContact O-N 2.99Å; F849-V851 VanDerWaalsContact C-N 3.25Å; F849-V851 PolarHBondContact O-N 2.97Å
852F85.3Confident88.2Confident5 Ų531.2 Ų31.22%0.02217%0.165CC..Hα-helixtrans-103.41.6-172.5-72.2-77000115L802 V805 K806 I809 L848 F849 Q854 Q855 V858 T859 M862L802-F852 HydrophobicContact CD1-CE1 3.93Å; L802-F852 HydrophobicContact CD1-CZ 4.16Å; L802-F852 HydrophobicContact CG-CE1 4.47Å; V805-F852 HydrophobicContact CG1-CE2 4.24Å; V805-F852 HydrophobicContact CG1-CZ 3.71Å; K806-F852 HydrophobicContact CG-CE1 4.43Å; I809-F852 HydrophobicContact CD1-CD2 4.22Å; I809-F852 HydrophobicContact CD1-CE2 3.81Å; I809-F852 HydrophobicContact CD1-CZ 4.01Å; L848-F852 HydrophobicContact CB-CD2 4.31Å; L848-F852 HydrophobicContact CD2-CE2 4.36Å; L848-F852 PolarHBondContact O-N 3.34Å; F849-F852 PolarHBondContact O-N 2.98Å; F852-Q854 PolarHBondContact O-N 2.88Å; F852-Q855 WeakPolarHBondContact O-CA 3.3Å; F852-Q855 WeakPolarHBondContact O-CB 3.29Å; F852-Q855 PolarHBondContact O-N 2.99Å; F852-V858 HydrophobicContact CB-CB 4.32Å; F852-V858 HydrophobicContact CB-CG1 3.91Å; F852-V858 HydrophobicContact CD1-CB 4.31Å; F852-V858 HydrophobicContact CD1-CG1 3.98Å; F852-V858 HydrophobicContact CD1-CG2 4.34Å; F852-V858 HydrophobicContact CD2-CG1 4.43Å; F852-V858 HydrophobicContact CG-CB 4.49Å; F852-V858 HydrophobicContact CG-CG1 3.85Å; F852-T859 PolarHBondContact O-OG1 3.33Å; F852-M862 HydrophobicContact CB-CE 4.33Å; F852-M862 HydrophobicContact CD2-CE 3.87Å; F852-M862 HydrophobicContact CG-CE 4.35Å
853I83.7Confident88.3Confident22 Ų2231.2 Ų31.211%0.11317%0.165CC..THydrogen-bonded Turntrans-54.6-29.1-176-168.1161.9000114.7F849 Q855 M892 Q897F849-I853 HydrophobicContact CE1-CD1 4.33Å; F849-I853 PolarHBondContact O-N 3.08Å; I853-Q855 VanDerWaalsContact C-N 3.28Å; I853-Q855 PolarHBondContact O-N 2.89Å; I853-M892 HydrophobicContact CD1-CB 3.62Å; I853-M892 HydrophobicContact CD1-CE 3.99Å; I853-M892 HydrophobicContact CG2-CE 4.26Å; I853-Q897 VanDerWaalsContact CD1-OE1 3.27Å
854Q82.4Confident88.4Confident161 Ų16128.7 Ų28.775%0.75215%0.153SC*.THydrogen-bonded Turntrans-80.8-5.8177.6-63.9-174.9-7.400113.6F852F852-Q854 PolarHBondContact O-N 2.88Å
855Q84.6Confident88.7Confident41 Ų4128.7 Ų28.719%0.19215%0.154CC..  trans-109.8105.5179.4-64.9-171.8-5.600109.9L802 F852 I853 D857 V858 T859L802-Q855 VanDerWaalsContact CD2-NE2 3.31Å; F852-Q855 WeakPolarHBondContact O-CA 3.3Å; F852-Q855 WeakPolarHBondContact O-CB 3.29Å; F852-Q855 PolarHBondContact O-N 2.99Å; I853-Q855 VanDerWaalsContact C-N 3.28Å; I853-Q855 PolarHBondContact O-N 2.89Å; Q855-D857 PolarHBondContact O-N 3.26Å; Q855-V858 HydrophobicContact CB-CG2 4.49Å; Q855-V858 PolarHBondContact O-N 3.46Å; Q855-T859 WeakPolarHBondContact O-CB 3.19Å; Q855-T859 PolarHBondContact O-N 3.13Å; Q855-T859 VanDerWaalsContact O-N 3.09Å; Q855-T859 PolarHBondContact O-OG1 3.44Å
856P83.7Confident88.8Confident51 Ų5128.7 Ų28.733%0.33115%0.154SC..Hα-helixtrans-66.8-38.6-170.326.7-34.7000112.2V858 T859 D860 A908 V912P856-V858 VanDerWaalsContact C-N 3.34Å; P856-V858 PolarHBondContact O-N 3.27Å; P856-T859 PolarHBondContact O-N 3.39Å; P856-D860 WeakPolarHBondContact O-CB 3.31Å; P856-D860 PolarHBondContact O-N 3.35Å; P856-A908 HydrophobicContact CB-CB 3.78Å; P856-A908 HydrophobicContact CG-CB 4.25Å; P856-V912 WeakPolarHBondContact O-CG2 3.37Å
857D85.2Confident89Confident92 Ų9229.1 Ų29.149%0.49216%0.156SC..Hα-helixtrans-62.3-38.7-177.6-52.7-45000113.2Q855 A908Q855-D857 PolarHBondContact O-N 3.26Å; D857-A908 WeakPolarHBondContact OD1-CB 3.35Å
858V88.4Confident89.3Confident2 Ų227.2 Ų27.21%0.01215%0.146CC..Hα-helixtrans-78.8-40.9179.6-1780000110.5K806 I809 F852 Q855 P856 D860 E861 M862K806-V858 HydrophobicContact CB-CG2 4.3Å; K806-V858 HydrophobicContact CD-CG2 4.12Å; K806-V858 HydrophobicContact CG-CG2 3.82Å; I809-V858 HydrophobicContact CD1-CG1 3.83Å; I809-V858 HydrophobicContact CG2-CG1 4.02Å; F852-V858 HydrophobicContact CB-CB 4.32Å; F852-V858 HydrophobicContact CB-CG1 3.91Å; F852-V858 HydrophobicContact CD1-CB 4.31Å; F852-V858 HydrophobicContact CD1-CG1 3.98Å; F852-V858 HydrophobicContact CD1-CG2 4.34Å; F852-V858 HydrophobicContact CD2-CG1 4.43Å; F852-V858 HydrophobicContact CG-CB 4.49Å; F852-V858 HydrophobicContact CG-CG1 3.85Å; Q855-V858 HydrophobicContact CB-CG2 4.49Å; Q855-V858 PolarHBondContact O-N 3.46Å; P856-V858 VanDerWaalsContact C-N 3.34Å; P856-V858 PolarHBondContact O-N 3.27Å; V858-D860 VanDerWaalsContact C-N 3.26Å; V858-D860 PolarHBondContact O-N 2.92Å; V858-E861 PolarHBondContact O-N 3.03Å; V858-M862 HydrophobicContact CG1-CE 3.78Å; V858-M862 HydrophobicContact CG1-SD 4.41Å; V858-M862 WeakPolarHBondContact O-CG 3.47Å; V858-M862 PolarHBondContact O-N 2.91Å
859T89.3Confident89.6Confident1 Ų127.2 Ų27.21%0.00615%0.146CC..Hα-helixtrans-63.3-35.8177.2-55.70000111.1F849 F852 Q855 P856 E861 M862 L863 F893 V912F849-T859 HydrophobicContact CE2-CG2 3.88Å; F849-T859 HydrophobicContact CZ-CG2 4.25Å; F852-T859 PolarHBondContact O-OG1 3.33Å; Q855-T859 WeakPolarHBondContact O-CB 3.19Å; Q855-T859 PolarHBondContact O-N 3.13Å; Q855-T859 VanDerWaalsContact O-N 3.09Å; Q855-T859 PolarHBondContact O-OG1 3.44Å; P856-T859 PolarHBondContact O-N 3.39Å; T859-E861 VanDerWaalsContact C-N 3.34Å; T859-E861 PolarHBondContact O-N 2.91Å; T859-M862 PolarHBondContact O-N 3.27Å; T859-L863 HydrophobicContact CG2-CD1 4.31Å; T859-L863 HydrophobicContact CG2-CG 4.34Å; T859-L863 WeakPolarHBondContact O-CB 3.49Å; T859-L863 WeakPolarHBondContact O-CG 3.31Å; T859-L863 PolarHBondContact O-N 2.87Å; T859-F893 HydrophobicContact CG2-CZ 4.32Å; T859-V912 HydrophobicContact CG2-CG1 3.78Å; T859-V912 HydrophobicContact CG2-CG2 3.92Å
860D90.9Very high89.8Confident7 Ų727.2 Ų27.24%0.03715%0.146CC..Hα-helixtrans-61.6-41177.7-167.136000112.1P856 V858 A864 R911 V912 K915P856-D860 WeakPolarHBondContact O-CB 3.31Å; P856-D860 PolarHBondContact O-N 3.35Å; V858-D860 VanDerWaalsContact C-N 3.26Å; V858-D860 PolarHBondContact O-N 2.92Å; D860-A864 VanDerWaalsContact O-CB 3.31Å; D860-A864 WeakPolarHBondContact O-CB 3.33Å; D860-A864 PolarHBondContact O-N 3.43Å; D860-R911 WeakPolarHBondContact OD1-CB 3.4Å; D860-R911 IonicContact OD2-CZ 3.43Å; D860-R911 IonicContact OD2-NE 3.14Å; D860-R911 PolarHBondContact OD2-NE 3.3Å; D860-R911 IonicContact OD2-NH2 3.96Å; D860-V912 HydrophobicContact CB-CG2 3.86Å; D860-K915 WeakPolarHBondContact O-CD 2.97Å; D860-K915 PolarHBondContact O-NZ 3.01Å; D860-K915 WeakPolarHBondContact OD1-CD 3.45Å; D860-K915 WeakPolarHBondContact OD1-CE 3.38Å; D860-K915 IonicContact OD1-NZ 3.03Å; D860-K915 PolarHBondContact OD1-NZ 3.26Å; D860-K915 IonicContact OD2-NZ 3.85Å; D860-K915 PolarHBondContact OD2-NZ 2.8Å; D860-K915 VanDerWaalsContact OD2-NZ 3.16Å
861E91.8Very high90Very high42 Ų4229.8 Ų29.820%0.19615%0.153CC..Hα-helixtrans-73.3-41.1175.4-73.4-55.5143.800112.6R817 V858 T859 L863 A864 F865R817-E861 IonicContact NH1-OE2 2.71Å; R817-E861 PolarHBondContact NH1-OE2 3.39Å; R817-E861 VanDerWaalsContact NH1-OE2 3.14Å; V858-E861 PolarHBondContact O-N 3.03Å; T859-E861 VanDerWaalsContact C-N 3.34Å; T859-E861 PolarHBondContact O-N 2.91Å; E861-L863 PolarHBondContact O-N 3.4Å; E861-A864 WeakPolarHBondContact O-CB 3.39Å; E861-A864 PolarHBondContact O-N 2.91Å; E861-F865 PolarHBondContact O-N 2.94Å
862M93.4Very high90.3Very high0 Ų027.5 Ų27.50%014%0.14CC..Hα-helixtrans-60.9-45.9175.4-71.1-177.8177.500111.7I809 L813 T845 L848 F849 F852 V858 T859 A864 F865 F866I809-M862 HydrophobicContact CD1-CE 3.88Å; I809-M862 HydrophobicContact CG2-CE 4.19Å; L813-M862 HydrophobicContact CD1-CB 4.44Å; L813-M862 HydrophobicContact CD1-CG 3.83Å; T845-M862 HydrophobicContact CG2-CB 4.17Å; T845-M862 HydrophobicContact CG2-CG 3.95Å; T845-M862 HydrophobicContact CG2-SD 4.48Å; L848-M862 HydrophobicContact CB-CE 3.73Å; L848-M862 HydrophobicContact CD1-CE 4.47Å; F849-M862 HydrophobicContact CB-SD 4.39Å; F849-M862 HydrophobicContact CD2-CB 4.21Å; F849-M862 HydrophobicContact CD2-SD 4.21Å; F852-M862 HydrophobicContact CB-CE 4.33Å; F852-M862 HydrophobicContact CD2-CE 3.87Å; F852-M862 HydrophobicContact CG-CE 4.35Å; V858-M862 HydrophobicContact CG1-CE 3.78Å; V858-M862 HydrophobicContact CG1-SD 4.41Å; V858-M862 WeakPolarHBondContact O-CG 3.47Å; V858-M862 PolarHBondContact O-N 2.91Å; T859-M862 PolarHBondContact O-N 3.27Å; M862-A864 VanDerWaalsContact C-N 3.35Å; M862-F865 PolarHBondContact O-N 2.9Å; M862-F866 WeakPolarHBondContact O-CD2 3.39Å; M862-F866 PolarHBondContact O-N 3.42Å
863L93.8Very high90.5Very high0 Ų027.2 Ų27.20%014%0.139CC..Hα-helixtrans-68.3-33.7176-72.2-176.1000112.4F849 T859 E861 F865 F866 L867 F889 F893 V912 K915 F916 I919F849-L863 HydrophobicContact CE2-CD2 3.66Å; F849-L863 HydrophobicContact CE2-CG 3.99Å; F849-L863 HydrophobicContact CZ-CD2 4.02Å; T859-L863 HydrophobicContact CG2-CD1 4.31Å; T859-L863 HydrophobicContact CG2-CG 4.34Å; T859-L863 WeakPolarHBondContact O-CB 3.49Å; T859-L863 WeakPolarHBondContact O-CG 3.31Å; T859-L863 PolarHBondContact O-N 2.87Å; E861-L863 PolarHBondContact O-N 3.4Å; L863-F865 VanDerWaalsContact C-N 3.31Å; L863-F865 PolarHBondContact O-N 3.19Å; L863-F866 PolarHBondContact O-N 2.93Å; L863-L867 VanDerWaalsContact O-CB 3.27Å; L863-L867 WeakPolarHBondContact O-CB 3.44Å; L863-L867 PolarHBondContact O-N 3.06Å; L863-F889 HydrophobicContact CD2-CE1 4.32Å; L863-F889 HydrophobicContact CD2-CE2 4.09Å; L863-F889 HydrophobicContact CD2-CZ 3.99Å; L863-F893 HydrophobicContact CD1-CE2 4.32Å; L863-F893 HydrophobicContact CD1-CZ 3.96Å; L863-V912 HydrophobicContact CD1-CB 4.33Å; L863-V912 HydrophobicContact CD1-CG1 3.72Å; L863-V912 VanDerWaalsContact CD1-O 3.24Å; L863-V912 WeakPolarHBondContact CD1-O 3.41Å; L863-K915 HydrophobicContact CB-CB 3.97Å; L863-K915 HydrophobicContact CB-CD 4.39Å; L863-K915 HydrophobicContact CD1-CB 4.46Å; L863-F916 HydrophobicContact CD1-CB 4.07Å; L863-I919 HydrophobicContact CD2-CD1 3.98Å
864A94.7Very high90.7Very high5 Ų528.4 Ų28.44%0.04114%0.142CC..Hα-helixtrans-60.6-44.5173.100000111D860 E861 M862 L867 T868 K915D860-A864 VanDerWaalsContact O-CB 3.31Å; D860-A864 WeakPolarHBondContact O-CB 3.33Å; D860-A864 PolarHBondContact O-N 3.43Å; E861-A864 WeakPolarHBondContact O-CB 3.39Å; E861-A864 PolarHBondContact O-N 2.91Å; M862-A864 VanDerWaalsContact C-N 3.35Å; A864-L867 PolarHBondContact O-N 3.44Å; A864-T868 PolarHBondContact O-N 3.33Å; A864-T868 VanDerWaalsContact O-N 3.13Å; A864-T868 PolarHBondContact O-OG1 3.11Å; A864-K915 HydrophobicContact CB-CD 4.02Å
865F95.6Very high91Very high1 Ų125.7 Ų25.70%0.00414%0.136CC..Hα-helixtrans-61.8-47.8175.7178.3-120.3000112L813 L816 R817 V842 T845 E861 M862 L863 L867 T868 L869L813-F865 HydrophobicContact CD2-CB 4.36Å; L813-F865 HydrophobicContact CD2-CD1 3.89Å; L813-F865 HydrophobicContact CD2-CE1 4.28Å; L813-F865 HydrophobicContact CD2-CG 4.04Å; L816-F865 HydrophobicContact CB-CD2 4.2Å; L816-F865 HydrophobicContact CB-CE2 3.61Å; L816-F865 HydrophobicContact CB-CZ 4.23Å; L816-F865 HydrophobicContact CD1-CE2 4.46Å; L816-F865 HydrophobicContact CD1-CZ 4.29Å; R817-F865 HydrophobicContact CB-CD2 4.29Å; V842-F865 HydrophobicContact CG2-CE1 4.27Å; V842-F865 HydrophobicContact CG2-CZ 4.24Å; T845-F865 HydrophobicContact CG2-CD1 4.18Å; E861-F865 PolarHBondContact O-N 2.94Å; M862-F865 PolarHBondContact O-N 2.9Å; L863-F865 VanDerWaalsContact C-N 3.31Å; L863-F865 PolarHBondContact O-N 3.19Å; F865-L867 PolarHBondContact O-N 2.63Å; F865-T868 PolarHBondContact O-N 3.26Å; F865-L869 HydrophobicContact CD1-CD1 3.94Å; F865-L869 HydrophobicContact CD2-CG 4.45Å; F865-L869 HydrophobicContact CE1-CD1 3.56Å; F865-L869 HydrophobicContact CE1-CG 4.38Å; F865-L869 HydrophobicContact CE2-CD1 4.19Å; F865-L869 HydrophobicContact CE2-CD2 4.2Å; F865-L869 HydrophobicContact CE2-CG 4.13Å; F865-L869 HydrophobicContact CG-CD1 4.44Å; F865-L869 HydrophobicContact CZ-CD1 3.69Å; F865-L869 HydrophobicContact CZ-CD2 4.16Å; F865-L869 HydrophobicContact CZ-CG 4.11Å; F865-L869 WeakPolarHBondContact O-CG 3.25Å; F865-L869 PolarHBondContact O-N 3.25Å
866F95.3Very high91.3Very high0 Ų025.1 Ų25.10%013%0.133CC..Hα-helixtrans-63.8-38.6176.6-80-67.1000113V842 T845 L846 M862 L863 T868 L869 F870 I885 F889 I919V842-F866 HydrophobicContact CG1-CE1 3.91Å; T845-F866 HydrophobicContact CG2-CD2 4.31Å; T845-F866 HydrophobicContact CG2-CE2 3.58Å; T845-F866 HydrophobicContact CG2-CZ 4.07Å; L846-F866 HydrophobicContact CB-CZ 4.11Å; L846-F866 HydrophobicContact CD1-CZ 4.44Å; M862-F866 WeakPolarHBondContact O-CD2 3.39Å; M862-F866 PolarHBondContact O-N 3.42Å; L863-F866 PolarHBondContact O-N 2.93Å; F866-T868 PolarHBondContact O-N 3.22Å; F866-L869 HydrophobicContact CD1-CD1 4.07Å; F866-L869 HydrophobicContact CE1-CD1 4.45Å; F866-L869 WeakPolarHBondContact O-CB 3.44Å; F866-L869 PolarHBondContact O-N 3.06Å; F866-F870 HydrophobicContact CD1-CE2 4.43Å; F866-F870 WeakPolarHBondContact O-CB 3.37Å; F866-F870 WeakPolarHBondContact O-CD2 3.37Å; F866-F870 PolarHBondContact O-N 3.16Å; F866-I885 HydrophobicContact CD1-CD1 4.37Å; F866-I885 HydrophobicContact CD1-CG2 4.24Å; F866-I885 HydrophobicContact CE1-CD1 3.92Å; F866-I885 HydrophobicContact CE1-CG1 4.43Å; F866-I885 HydrophobicContact CE1-CG2 4.24Å; F866-F889 HydrophobicContact CB-CE2 4.3Å; F866-F889 HydrophobicContact CB-CZ 4.17Å; F866-F889 HydrophobicContact CD1-CZ 4.34Å; F866-F889 HydrophobicContact CD2-CE1 4.37Å; F866-F889 HydrophobicContact CD2-CE2 4.49Å; F866-F889 AromaticContact CD2-CZ 3.57Å; F866-F889 HydrophobicContact CD2-CZ 3.57Å; F866-F889 HydrophobicContact CE2-CE1 4.4Å; F866-F889 AromaticContact CE2-CZ 3.94Å; F866-F889 HydrophobicContact CE2-CZ 3.94Å; F866-F889 HydrophobicContact CG-CE2 4.33Å; F866-F889 AromaticContact CG-CZ 3.78Å; F866-F889 HydrophobicContact CG-CZ 3.78Å; F866-F889 HydrophobicContact CZ-CZ 4.49Å; F866-I919 HydrophobicContact CB-CD1 4.14Å
867L94.9Very high91.5Very high17 Ų1723.1 Ų23.19%0.08912%0.119CC..Hα-helixtrans-58.5-48.3176.2177.859.1000111.1L863 A864 F865 L869 F870 Q871 K915 K918 I919 V922L863-L867 VanDerWaalsContact O-CB 3.27Å; L863-L867 WeakPolarHBondContact O-CB 3.44Å; L863-L867 PolarHBondContact O-N 3.06Å; A864-L867 PolarHBondContact O-N 3.44Å; F865-L867 PolarHBondContact O-N 2.63Å; L867-L869 PolarHBondContact O-N 3.44Å; L867-F870 PolarHBondContact O-N 3.08Å; L867-Q871 HydrophobicContact CD1-CG 4.29Å; L867-Q871 WeakPolarHBondContact O-CG 3.43Å; L867-Q871 PolarHBondContact O-N 3.35Å; L867-K915 HydrophobicContact CD2-CG 4.29Å; L867-K918 HydrophobicContact CD1-CB 3.74Å; L867-K918 HydrophobicContact CD2-CB 3.93Å; L867-K918 HydrophobicContact CD2-CD 4.02Å; L867-I919 HydrophobicContact CB-CD1 4.27Å; L867-I919 HydrophobicContact CB-CG1 3.88Å; L867-I919 HydrophobicContact CD1-CG1 3.81Å; L867-I919 HydrophobicContact CG-CG1 4.43Å; L867-V922 HydrophobicContact CD1-CG2 4.41Å
868T94.9Very high91.7Very high14 Ų1420.1 Ų20.19%0.08611%0.11CC..Hα-helixtrans-63.3-39.7176.8-55.60000112R817 V820 D821 A864 F865 F866 F870 Q871 A872R817-T868 HydrophobicContact CG-CG2 4.03Å; R817-T868 VanDerWaalsContact CG-OG1 3.26Å; R817-T868 WeakPolarHBondContact CG-OG1 3.47Å; V820-T868 HydrophobicContact CB-CG2 4.03Å; V820-T868 HydrophobicContact CG1-CG2 3.85Å; D821-T868 HydrophobicContact CB-CG2 3.98Å; A864-T868 PolarHBondContact O-N 3.33Å; A864-T868 VanDerWaalsContact O-N 3.13Å; A864-T868 PolarHBondContact O-OG1 3.11Å; F865-T868 PolarHBondContact O-N 3.26Å; F866-T868 PolarHBondContact O-N 3.22Å; T868-F870 PolarHBondContact O-N 3.14Å; T868-Q871 PolarHBondContact O-N 3.11Å; T868-A872 WeakPolarHBondContact O-CB 3.38Å; T868-A872 PolarHBondContact O-N 3.19Å
869L94.3Very high91.6Very high0 Ų023.9 Ų23.90%013%0.133CC..Hα-helixtrans-61.3-42.5173.4-70.8174.5000112.4V820 V842 F865 F866 L867 Q871 L873 R874 M877V820-L869 HydrophobicContact CG1-CD2 4.26Å; V820-L869 HydrophobicContact CG2-CD2 3.92Å; V842-L869 HydrophobicContact CB-CD1 4.49Å; V842-L869 HydrophobicContact CG1-CD1 4.04Å; V842-L869 HydrophobicContact CG2-CD1 3.68Å; V842-L869 HydrophobicContact CG2-CD2 4.38Å; F865-L869 HydrophobicContact CD1-CD1 3.94Å; F865-L869 HydrophobicContact CD2-CG 4.45Å; F865-L869 HydrophobicContact CE1-CD1 3.56Å; F865-L869 HydrophobicContact CE1-CG 4.38Å; F865-L869 HydrophobicContact CE2-CD1 4.19Å; F865-L869 HydrophobicContact CE2-CD2 4.2Å; F865-L869 HydrophobicContact CE2-CG 4.13Å; F865-L869 HydrophobicContact CG-CD1 4.44Å; F865-L869 HydrophobicContact CZ-CD1 3.69Å; F865-L869 HydrophobicContact CZ-CD2 4.16Å; F865-L869 HydrophobicContact CZ-CG 4.11Å; F865-L869 WeakPolarHBondContact O-CG 3.25Å; F865-L869 PolarHBondContact O-N 3.25Å; F866-L869 HydrophobicContact CD1-CD1 4.07Å; F866-L869 HydrophobicContact CE1-CD1 4.45Å; F866-L869 WeakPolarHBondContact O-CB 3.44Å; F866-L869 PolarHBondContact O-N 3.06Å; L867-L869 PolarHBondContact O-N 3.44Å; L869-Q871 VanDerWaalsContact C-N 3.34Å; L869-L873 HydrophobicContact CD2-CD1 3.92Å; L869-L873 CarbonylContact O-C 3.49Å; L869-L873 WeakPolarHBondContact O-CA 3.45Å; L869-L873 PolarHBondContact O-N 2.86Å; L869-R874 PolarHBondContact O-N 2.75Å; L869-R874 VanDerWaalsContact O-N 3.14Å; L869-M877 HydrophobicContact CB-SD 4.08Å
870F91.6Very high91.5Very high1 Ų128.1 Ų28.10%0.00417%0.168CC..Hα-helixtrans-68.6-33.7179.1-89.1-114.6000112.1F866 L867 T868 R874 M877 T882 I885 I886 I919 V922 V923F866-F870 HydrophobicContact CD1-CE2 4.43Å; F866-F870 WeakPolarHBondContact O-CB 3.37Å; F866-F870 WeakPolarHBondContact O-CD2 3.37Å; F866-F870 PolarHBondContact O-N 3.16Å; L867-F870 PolarHBondContact O-N 3.08Å; T868-F870 PolarHBondContact O-N 3.14Å; F870-R874 WeakPolarHBondContact O-CB 2.99Å; F870-M877 HydrophobicContact CE2-CE 4.38Å; F870-T882 HydrophobicContact CD1-CG2 4.18Å; F870-T882 HydrophobicContact CE1-CG2 3.41Å; F870-T882 VanDerWaalsContact CE1-CG2 3.41Å; F870-T882 HydrophobicContact CZ-CG2 3.7Å; F870-I885 HydrophobicContact CE2-CB 4.45Å; F870-I885 HydrophobicContact CE2-CD1 4.34Å; F870-I885 HydrophobicContact CE2-CG2 3.92Å; F870-I885 HydrophobicContact CZ-CB 4.21Å; F870-I885 HydrophobicContact CZ-CG2 3.93Å; F870-I886 HydrophobicContact CE1-CD1 4.07Å; F870-I886 HydrophobicContact CE1-CG1 3.85Å; F870-I886 HydrophobicContact CZ-CG1 4.04Å; F870-I919 HydrophobicContact CD1-CG2 3.98Å; F870-I919 HydrophobicContact CE1-CG2 4.02Å; F870-I919 HydrophobicContact CG-CG2 4.25Å; F870-I919 HydrophobicContact CZ-CG2 4.34Å; F870-V922 HydrophobicContact CB-CG1 4.08Å; F870-V923 HydrophobicContact CD1-CG2 3.87Å; F870-V923 HydrophobicContact CE1-CG2 3.73Å
871Q91Very high91.4Very high111 Ų11129.4 Ų29.452%0.51917%0.174SC..Hα-helixtrans-73-41.8176.5-71.8170.7-25.500112L867 T868 L869 V922L867-Q871 HydrophobicContact CD1-CG 4.29Å; L867-Q871 WeakPolarHBondContact O-CG 3.43Å; L867-Q871 PolarHBondContact O-N 3.35Å; T868-Q871 PolarHBondContact O-N 3.11Å; L869-Q871 VanDerWaalsContact C-N 3.34Å; Q871-V922 HydrophobicContact CG-CG2 3.93Å
872A90.8Very high91.2Very high4 Ų427.4 Ų27.43%0.03316%0.164CC..Hα-helixtrans-99.3-39.6-171.800000115.2V820 R831 T868V820-A872 HydrophobicContact CG1-CB 3.6Å; R831-A872 WeakPolarHBondContact CD-O 3.37Å; T868-A872 WeakPolarHBondContact O-CB 3.38Å; T868-A872 PolarHBondContact O-N 3.19Å
873L91.1Very high90.9Very high0 Ų028 Ų280%017%0.17CC..THydrogen-bonded Turntrans-121.17.1-165.1-63.5-177.8000115.1V820 I823 R831 L838 L869 V875 Q876 M877V820-L873 HydrophobicContact CG1-CD1 3.81Å; V820-L873 HydrophobicContact CG1-CG 3.92Å; V820-L873 HydrophobicContact CG2-CD1 3.97Å; I823-L873 HydrophobicContact CD1-CD2 4.16Å; R831-L873 HydrophobicContact CB-CD2 3.49Å; R831-L873 VanDerWaalsContact CB-CD2 3.49Å; R831-L873 HydrophobicContact CG-CD2 3.69Å; R831-L873 WeakPolarHBondContact O-CD2 3.36Å; L838-L873 HydrophobicContact CD1-CD1 4.36Å; L869-L873 HydrophobicContact CD2-CD1 3.92Å; L869-L873 CarbonylContact O-C 3.49Å; L869-L873 WeakPolarHBondContact O-CA 3.45Å; L869-L873 PolarHBondContact O-N 2.86Å; L873-V875 VanDerWaalsContact C-N 3.29Å; L873-V875 PolarHBondContact O-N 2.83Å; L873-Q876 PolarHBondContact O-N 2.93Å; L873-Q876 PolarHBondContact O-OE1 3.14Å; L873-M877 WeakPolarHBondContact O-CG 3.41Å; L873-M877 PolarHBondContact O-N 2.69Å
874R87.9Confident90.8Very high47 Ų4732.8 Ų32.818%0.17719%0.192CC..Hα-helixtrans-52.4-41.8-177.6176.6178.467.8-152.5-6.7114.1L869 F870 Q876 M877 G878 T882 V922 E926L869-R874 PolarHBondContact O-N 2.75Å; L869-R874 VanDerWaalsContact O-N 3.14Å; F870-R874 WeakPolarHBondContact O-CB 2.99Å; R874-Q876 VanDerWaalsContact C-N 3.32Å; R874-Q876 PolarHBondContact O-N 3.32Å; R874-M877 PolarHBondContact O-N 3.02Å; R874-G878 PolarHBondContact O-N 2.96Å; R874-T882 HydrophobicContact CG-CG2 4.24Å; R874-V922 PolarHBondContact NH1-O 3.25Å; R874-E926 VanDerWaalsContact CZ-CD 3.47Å; R874-E926 IonicContact CZ-OE1 3.65Å; R874-E926 IonicContact NE-OE1 3.77Å; R874-E926 PolarHBondContact NE-OE1 3.43Å; R874-E926 IonicContact NH1-OE1 2.77Å; R874-E926 IonicContact NH2-OE1 3.76Å; R874-E926 PolarHBondContact NH2-OE1 3.34Å
875V87.4Confident90.6Very high104 Ų10432.5 Ų32.563%0.6319%0.19SC*.Hα-helixtrans-64.4-40.5-179.81790000110.7L873 G878L873-V875 VanDerWaalsContact C-N 3.29Å; L873-V875 PolarHBondContact O-N 2.83Å; V875-G878 PolarHBondContact O-N 2.87Å
876Q90.7Very high90.3Very high28 Ų2832.5 Ų32.513%0.13119%0.19CC..Hα-helixtrans-72.4-32.7-179.4-6674.710.300112.2R831 Q832 Y835 L873 R874 G878R831-Q876 HydrophobicContact CB-CG 4.09Å; R831-Q876 VanDerWaalsContact CB-NE2 3.31Å; Q832-Q876 HydrophobicContact CG-CG 4.02Å; Y835-Q876 HydrophobicContact CD1-CB 4.14Å; Y835-Q876 WeakPolarHBondContact CD1-O 3.37Å; Y835-Q876 WeakPolarHBondContact CE1-O 3.32Å; Y835-Q876 HydrophobicContact CG-CB 4.16Å; L873-Q876 PolarHBondContact O-N 2.93Å; L873-Q876 PolarHBondContact O-OE1 3.14Å; R874-Q876 VanDerWaalsContact C-N 3.32Å; R874-Q876 PolarHBondContact O-N 3.32Å; Q876-G878 PolarHBondContact O-N 3.48Å
877M89.4Confident90Very high10 Ų1038.1 Ų38.15%0.04922%0.216CC..Hα-helixtrans-63.8-28.8173.7-70173.465.700113Y835 V842 L869 F870 L873 R874 F881 I885Y835-M877 HydrophobicContact CD2-CG 3.87Å; Y835-M877 HydrophobicContact CE2-CB 4.26Å; Y835-M877 HydrophobicContact CE2-CG 3.44Å; Y835-M877 VanDerWaalsContact CE2-CG 3.44Å; V842-M877 HydrophobicContact CG1-CE 4.44Å; L869-M877 HydrophobicContact CB-SD 4.08Å; F870-M877 HydrophobicContact CE2-CE 4.38Å; L873-M877 WeakPolarHBondContact O-CG 3.41Å; L873-M877 PolarHBondContact O-N 2.69Å; R874-M877 PolarHBondContact O-N 3.02Å; M877-F881 HydrophobicContact CE-CD1 4.03Å; M877-F881 HydrophobicContact CE-CE1 4.15Å; M877-I885 HydrophobicContact CE-CD1 3.31Å
878G87.9Confident89.7Confident29 Ų2938.7 Ų38.730%0.29922%0.22SC..  trans80.6153.1-178.300000113.2R874 V875 Q876 A880 T882R874-G878 PolarHBondContact O-N 2.96Å; V875-G878 PolarHBondContact O-N 2.87Å; Q876-G878 PolarHBondContact O-N 3.48Å; G878-A880 PolarHBondContact O-N 2.88Å; G878-T882 WeakPolarHBondContact O-CB 3.31Å; G878-T882 PolarHBondContact O-N 3.13Å; G878-T882 VanDerWaalsContact O-N 3.08Å; G878-T882 PolarHBondContact O-OG1 2.9Å
879V86.8Confident89.5Confident81 Ų8138.1 Ų38.149%0.49122%0.217SC..Hα-helixtrans-61.6-44.1-173.61720000112.5T882 G883 A930 F931V879-T882 PolarHBondContact O-N 3.36Å; V879-G883 PolarHBondContact O-N 2.9Å; V879-A930 HydrophobicContact CB-CB 4.36Å; V879-A930 HydrophobicContact CG1-CB 3.52Å; V879-A930 HydrophobicContact CG2-CB 3.85Å; V879-F931 HydrophobicContact CG1-CE1 4.42Å; V879-F931 HydrophobicContact CG1-CZ 4.36Å; V879-F931 HydrophobicContact CG2-CZ 4.42Å
880A87.2Confident89.2Confident90 Ų9039.6 Ų39.674%0.74422%0.224SC*.Hα-helixtrans-63.1-46.7-175.200000112.2G878 G883 Q884G878-A880 PolarHBondContact O-N 2.88Å; A880-G883 PolarHBondContact O-N 3.23Å; A880-Q884 PolarHBondContact O-N 3.19Å
881F89.3Confident89Confident34 Ų3442.8 Ų42.815%0.14925%0.247CC..Hα-helixtrans-71.6-39.2179.6-171-121.7000112V842 L846 M877 G883 Q884 I885V842-F881 HydrophobicContact CG1-CE1 3.81Å; V842-F881 HydrophobicContact CG1-CZ 4.22Å; L846-F881 HydrophobicContact CD2-CE2 4.03Å; L846-F881 HydrophobicContact CD2-CZ 4.2Å; M877-F881 HydrophobicContact CE-CD1 4.03Å; M877-F881 HydrophobicContact CE-CE1 4.15Å; F881-G883 VanDerWaalsContact C-N 3.31Å; F881-G883 PolarHBondContact O-N 3.45Å; F881-Q884 WeakPolarHBondContact O-CB 3.3Å; F881-Q884 PolarHBondContact O-N 3Å; F881-I885 HydrophobicContact CD1-CD1 4.07Å; F881-I885 HydrophobicContact CE1-CD1 3.84Å; F881-I885 HydrophobicContact CZ-CD1 4.24Å; F881-I885 WeakPolarHBondContact O-CG1 3.15Å; F881-I885 PolarHBondContact O-N 3.07Å; F881-I885 VanDerWaalsContact O-N 3.08Å
882T87.5Confident88.7Confident0 Ų040 Ų400%023%0.234CC..Hα-helixtrans-59.4-43.7172.7-54.60000111.2F870 R874 G878 V879 Q884 I885 I886 F931F870-T882 HydrophobicContact CD1-CG2 4.18Å; F870-T882 HydrophobicContact CE1-CG2 3.41Å; F870-T882 VanDerWaalsContact CE1-CG2 3.41Å; F870-T882 HydrophobicContact CZ-CG2 3.7Å; R874-T882 HydrophobicContact CG-CG2 4.24Å; G878-T882 WeakPolarHBondContact O-CB 3.31Å; G878-T882 PolarHBondContact O-N 3.13Å; G878-T882 VanDerWaalsContact O-N 3.08Å; G878-T882 PolarHBondContact O-OG1 2.9Å; V879-T882 PolarHBondContact O-N 3.36Å; T882-Q884 VanDerWaalsContact C-N 3.34Å; T882-Q884 PolarHBondContact O-N 3.38Å; T882-I885 PolarHBondContact O-N 2.92Å; T882-I886 HydrophobicContact CG2-CD1 3.96Å; T882-I886 WeakPolarHBondContact O-CD1 3.3Å; T882-I886 VanDerWaalsContact O-CG1 3.32Å; T882-I886 WeakPolarHBondContact O-CG1 2.97Å; T882-I886 PolarHBondContact O-N 3.19Å; T882-F931 HydrophobicContact CG2-CE1 3.67Å; T882-F931 HydrophobicContact CG2-CZ 3.64Å
883G87.6Confident88.5Confident11 Ų1140 Ų4011%0.11323%0.234CC..Hα-helixtrans-62.1-38.1175.500000113V879 A880 F881 H887V879-G883 PolarHBondContact O-N 2.9Å; A880-G883 PolarHBondContact O-N 3.23Å; F881-G883 VanDerWaalsContact C-N 3.31Å; F881-G883 PolarHBondContact O-N 3.45Å; G883-H887 VanDerWaalsContact O-CB 3.28Å; G883-H887 WeakPolarHBondContact O-CB 3.38Å; G883-H887 PolarHBondContact O-N 3.17Å
884Q90.2Very high88.2Confident101 Ų10142.9 Ų42.947%0.47225%0.251SS..Hα-helixtrans-61.1-46.7173.6-177.1-178-0.200111.6A880 F881 T882 H887 T888A880-Q884 PolarHBondContact O-N 3.19Å; F881-Q884 WeakPolarHBondContact O-CB 3.3Å; F881-Q884 PolarHBondContact O-N 3Å; T882-Q884 VanDerWaalsContact C-N 3.34Å; T882-Q884 PolarHBondContact O-N 3.38Å; Q884-H887 PolarHBondContact O-N 3.34Å; Q884-T888 PolarHBondContact O-N 3.22Å; Q884-T888 PolarHBondContact O-OG1 3.3Å; Q884-T888 VanDerWaalsContact O-OG1 3.08Å
885I90.3Very high87.9Confident0 Ų047.5 Ų47.50%027%0.269CS..Hα-helixtrans-62.4-47.5179.3-64.9164.8000110.9L846 F866 F870 M877 F881 T882 H887 T888 F889L846-I885 HydrophobicContact CD1-CG1 4.07Å; L846-I885 HydrophobicContact CD2-CG1 3.94Å; F866-I885 HydrophobicContact CD1-CD1 4.37Å; F866-I885 HydrophobicContact CD1-CG2 4.24Å; F866-I885 HydrophobicContact CE1-CD1 3.92Å; F866-I885 HydrophobicContact CE1-CG1 4.43Å; F866-I885 HydrophobicContact CE1-CG2 4.24Å; F870-I885 HydrophobicContact CE2-CB 4.45Å; F870-I885 HydrophobicContact CE2-CD1 4.34Å; F870-I885 HydrophobicContact CE2-CG2 3.92Å; F870-I885 HydrophobicContact CZ-CB 4.21Å; F870-I885 HydrophobicContact CZ-CG2 3.93Å; M877-I885 HydrophobicContact CE-CD1 3.31Å; F881-I885 HydrophobicContact CD1-CD1 4.07Å; F881-I885 HydrophobicContact CE1-CD1 3.84Å; F881-I885 HydrophobicContact CZ-CD1 4.24Å; F881-I885 WeakPolarHBondContact O-CG1 3.15Å; F881-I885 PolarHBondContact O-N 3.07Å; F881-I885 VanDerWaalsContact O-N 3.08Å; T882-I885 PolarHBondContact O-N 2.92Å; I885-H887 VanDerWaalsContact C-N 3.32Å; I885-H887 PolarHBondContact O-N 3.31Å; I885-T888 WeakPolarHBondContact O-CB 3.29Å; I885-T888 PolarHBondContact O-N 2.79Å; I885-F889 HydrophobicContact CG2-CD2 3.97Å; I885-F889 HydrophobicContact CG2-CE1 4.05Å; I885-F889 HydrophobicContact CG2-CE2 3.4Å; I885-F889 VanDerWaalsContact CG2-CE2 3.4Å; I885-F889 HydrophobicContact CG2-CZ 3.44Å; I885-F889 VanDerWaalsContact CG2-CZ 3.44Å; I885-F889 WeakPolarHBondContact O-CG 3.42Å; I885-F889 PolarHBondContact O-N 3.43Å
886I89.6Confident87.5Confident1 Ų150.3 Ų50.31%0.00528%0.275CS..Hα-helixtrans-59.8-45.6178-64.8159.8000110.4F870 T882 T888 F889 L890 V923 F931 F934F870-I886 HydrophobicContact CE1-CD1 4.07Å; F870-I886 HydrophobicContact CE1-CG1 3.85Å; F870-I886 HydrophobicContact CZ-CG1 4.04Å; T882-I886 HydrophobicContact CG2-CD1 3.96Å; T882-I886 WeakPolarHBondContact O-CD1 3.3Å; T882-I886 VanDerWaalsContact O-CG1 3.32Å; T882-I886 WeakPolarHBondContact O-CG1 2.97Å; T882-I886 PolarHBondContact O-N 3.19Å; I886-T888 VanDerWaalsContact C-N 3.34Å; I886-T888 PolarHBondContact O-N 3.48Å; I886-F889 PolarHBondContact O-N 2.74Å; I886-L890 HydrophobicContact CG2-CD1 3.76Å; I886-L890 HydrophobicContact CG2-CG 4.22Å; I886-L890 WeakPolarHBondContact O-CB 3.46Å; I886-L890 WeakPolarHBondContact O-CG 3.48Å; I886-L890 PolarHBondContact O-N 3Å; I886-V923 HydrophobicContact CD1-CB 4.31Å; I886-V923 HydrophobicContact CD1-CG1 3.75Å; I886-V923 HydrophobicContact CD1-CG2 3.52Å; I886-V923 HydrophobicContact CG1-CG2 4.01Å; I886-F931 HydrophobicContact CD1-CD1 3.88Å; I886-F931 HydrophobicContact CD1-CE1 3.96Å; I886-F934 HydrophobicContact CG2-CD1 4.31Å; I886-F934 HydrophobicContact CG2-CG 4.34Å
887H89.2Confident87Confident117 Ų11751.5 Ų51.554%0.54228%0.281SS..Hα-helixtrans-60.1-44.3177.2-177.7-78.4000111.4G883 Q884 I885 L890 S891 F934G883-H887 VanDerWaalsContact O-CB 3.28Å; G883-H887 WeakPolarHBondContact O-CB 3.38Å; G883-H887 PolarHBondContact O-N 3.17Å; Q884-H887 PolarHBondContact O-N 3.34Å; I885-H887 VanDerWaalsContact C-N 3.32Å; I885-H887 PolarHBondContact O-N 3.31Å; H887-L890 PolarHBondContact O-N 3.28Å; H887-S891 WeakPolarHBondContact O-CB 3.3Å; H887-S891 PolarHBondContact O-N 2.81Å; H887-S891 PolarHBondContact O-OG 3.13Å; H887-S891 VanDerWaalsContact O-OG 3.13Å; H887-F934 HydrophobicContact CB-CE1 4.45Å
888T89.7Confident86.6Confident30 Ų3051 Ų5118%0.18428%0.278CS..Hα-helixtrans-58.7-47.6174.7-62.20000111.4L846 Q884 I885 I886 S891 M892L846-T888 HydrophobicContact CD1-CG2 4.21Å; Q884-T888 PolarHBondContact O-N 3.22Å; Q884-T888 PolarHBondContact O-OG1 3.3Å; Q884-T888 VanDerWaalsContact O-OG1 3.08Å; I885-T888 WeakPolarHBondContact O-CB 3.29Å; I885-T888 PolarHBondContact O-N 2.79Å; I886-T888 VanDerWaalsContact C-N 3.34Å; I886-T888 PolarHBondContact O-N 3.48Å; T888-S891 PolarHBondContact O-N 3.3Å; T888-S891 PolarHBondContact O-OG 2.88Å; T888-M892 HydrophobicContact CG2-CG 4.16Å; T888-M892 VanDerWaalsContact O-CB 3.29Å; T888-M892 WeakPolarHBondContact O-CB 3.5Å; T888-M892 WeakPolarHBondContact O-CG 3.23Å; T888-M892 PolarHBondContact O-N 3.37Å
889F90.5Very high86.3Confident1 Ų150.9 Ų50.90%0.00427%0.274CS..Hα-helixtrans-63.6-45.7178.8-63.5-18.1000112.4F849 L863 F866 I885 I886 S891 M892 F893 F916 I919F849-F889 HydrophobicContact CD1-CD1 4.01Å; F849-F889 AromaticContact CD1-CE1 3.93Å; F849-F889 HydrophobicContact CD1-CE1 3.93Å; F849-F889 HydrophobicContact CD2-CE1 4.02Å; F849-F889 AromaticContact CE1-CD1 3.58Å; F849-F889 HydrophobicContact CE1-CD1 3.58Å; F849-F889 AromaticContact CE1-CE1 3.82Å; F849-F889 HydrophobicContact CE1-CE1 3.82Å; F849-F889 HydrophobicContact CE2-CD1 4.34Å; F849-F889 AromaticContact CE2-CE1 3.9Å; F849-F889 HydrophobicContact CE2-CE1 3.9Å; F849-F889 HydrophobicContact CG-CE1 4.03Å; F849-F889 AromaticContact CZ-CD1 3.76Å; F849-F889 HydrophobicContact CZ-CD1 3.76Å; F849-F889 AromaticContact CZ-CE1 3.8Å; F849-F889 HydrophobicContact CZ-CE1 3.8Å; L863-F889 HydrophobicContact CD2-CE1 4.32Å; L863-F889 HydrophobicContact CD2-CE2 4.09Å; L863-F889 HydrophobicContact CD2-CZ 3.99Å; F866-F889 HydrophobicContact CB-CE2 4.3Å; F866-F889 HydrophobicContact CB-CZ 4.17Å; F866-F889 HydrophobicContact CD1-CZ 4.34Å; F866-F889 HydrophobicContact CD2-CE1 4.37Å; F866-F889 HydrophobicContact CD2-CE2 4.49Å; F866-F889 AromaticContact CD2-CZ 3.57Å; F866-F889 HydrophobicContact CD2-CZ 3.57Å; F866-F889 HydrophobicContact CE2-CE1 4.4Å; F866-F889 AromaticContact CE2-CZ 3.94Å; F866-F889 HydrophobicContact CE2-CZ 3.94Å; F866-F889 HydrophobicContact CG-CE2 4.33Å; F866-F889 AromaticContact CG-CZ 3.78Å; F866-F889 HydrophobicContact CG-CZ 3.78Å; F866-F889 HydrophobicContact CZ-CZ 4.49Å; I885-F889 HydrophobicContact CG2-CD2 3.97Å; I885-F889 HydrophobicContact CG2-CE1 4.05Å; I885-F889 HydrophobicContact CG2-CE2 3.4Å; I885-F889 VanDerWaalsContact CG2-CE2 3.4Å; I885-F889 HydrophobicContact CG2-CZ 3.44Å; I885-F889 VanDerWaalsContact CG2-CZ 3.44Å; I885-F889 WeakPolarHBondContact O-CG 3.42Å; I885-F889 PolarHBondContact O-N 3.43Å; I886-F889 PolarHBondContact O-N 2.74Å; F889-S891 VanDerWaalsContact C-N 3.31Å; F889-S891 PolarHBondContact O-N 2.76Å; F889-M892 PolarHBondContact O-N 3Å; F889-F893 HydrophobicContact CB-CD2 4.43Å; F889-F893 WeakPolarHBondContact O-CD2 3.33Å; F889-F893 PolarHBondContact O-N 3.31Å; F889-F916 HydrophobicContact CB-CD2 4.22Å; F889-F916 HydrophobicContact CB-CE2 3.61Å; F889-F916 HydrophobicContact CB-CZ 4.37Å; F889-F916 HydrophobicContact CG-CE2 4.5Å; F889-I919 HydrophobicContact CE2-CD1 4.05Å
890L86.9Confident86Confident31 Ų3149.8 Ų49.816%0.16227%0.274CS..Hα-helixtrans-62.8-34.8177.5-72.2174000112.7I886 H887 F916 L920 F934 I938 L941I886-L890 HydrophobicContact CG2-CD1 3.76Å; I886-L890 HydrophobicContact CG2-CG 4.22Å; I886-L890 WeakPolarHBondContact O-CB 3.46Å; I886-L890 WeakPolarHBondContact O-CG 3.48Å; I886-L890 PolarHBondContact O-N 3Å; H887-L890 PolarHBondContact O-N 3.28Å; L890-F916 HydrophobicContact CD2-CZ 4.17Å; L890-L920 HydrophobicContact CD2-CD1 4.49Å; L890-L920 HydrophobicContact CD2-CD2 4.44Å; L890-F934 HydrophobicContact CD1-CD1 4.35Å; L890-I938 HydrophobicContact CD1-CG1 4.49Å; L890-L941 HydrophobicContact CD2-CD2 3.91Å
891S88Confident85.7Confident69 Ų6947 Ų4748%0.48325%0.248SC..Hα-helixtrans-76.8-28178650000113.6H887 T888 F889H887-S891 WeakPolarHBondContact O-CB 3.3Å; H887-S891 PolarHBondContact O-N 2.81Å; H887-S891 PolarHBondContact O-OG 3.13Å; H887-S891 VanDerWaalsContact O-OG 3.13Å; T888-S891 PolarHBondContact O-N 3.3Å; T888-S891 PolarHBondContact O-OG 2.88Å; F889-S891 VanDerWaalsContact C-N 3.31Å; F889-S891 PolarHBondContact O-N 2.76Å
892M85.8Confident85.2Confident51 Ų5145.6 Ų45.625%0.25124%0.243SC..Hα-helixtrans-90.6-38.3-172.2-69.6-65.3-59.300112.4P850 I853 T888 F889 T894 Q897P850-M892 HydrophobicContact CB-CE 3.78Å; P850-M892 HydrophobicContact CG-CE 4.5Å; I853-M892 HydrophobicContact CD1-CB 3.62Å; I853-M892 HydrophobicContact CD1-CE 3.99Å; I853-M892 HydrophobicContact CG2-CE 4.26Å; T888-M892 HydrophobicContact CG2-CG 4.16Å; T888-M892 VanDerWaalsContact O-CB 3.29Å; T888-M892 WeakPolarHBondContact O-CB 3.5Å; T888-M892 WeakPolarHBondContact O-CG 3.23Å; T888-M892 PolarHBondContact O-N 3.37Å; F889-M892 PolarHBondContact O-N 3Å; M892-T894 PolarHBondContact O-N 3.22Å; M892-T894 VanDerWaalsContact O-N 3.08Å; M892-Q897 PolarHBondContact O-OE1 3.3Å
893F85.8Confident84.4Confident4 Ų451 Ų512%0.01827%0.271CS..  trans-77.591.2176.7-77.5-65.6000111.6F849 T859 L863 F889 L898 V912 F916F849-F893 HydrophobicContact CE1-CE2 4.31Å; F849-F893 AromaticContact CZ-CE2 3.68Å; F849-F893 HydrophobicContact CZ-CE2 3.68Å; F849-F893 AromaticContact CZ-CZ 3.79Å; F849-F893 HydrophobicContact CZ-CZ 3.79Å; T859-F893 HydrophobicContact CG2-CZ 4.32Å; L863-F893 HydrophobicContact CD1-CE2 4.32Å; L863-F893 HydrophobicContact CD1-CZ 3.96Å; F889-F893 HydrophobicContact CB-CD2 4.43Å; F889-F893 WeakPolarHBondContact O-CD2 3.33Å; F889-F893 PolarHBondContact O-N 3.31Å; F893-L898 HydrophobicContact CB-CD1 4.42Å; F893-L898 HydrophobicContact CB-CD2 4.17Å; F893-L898 HydrophobicContact CB-CG 4.29Å; F893-L898 HydrophobicContact CD1-CD2 3.9Å; F893-L898 HydrophobicContact CG-CD2 4.25Å; F893-V912 HydrophobicContact CE1-CG1 3.73Å; F893-V912 HydrophobicContact CZ-CG1 3.76Å; F893-F916 HydrophobicContact CB-CD1 4.5Å; F893-F916 HydrophobicContact CB-CE1 3.91Å; F893-F916 HydrophobicContact CB-CZ 4.35Å; F893-F916 AromaticContact CD2-CD1 3.77Å; F893-F916 HydrophobicContact CD2-CD1 3.77Å; F893-F916 HydrophobicContact CD2-CD2 4.01Å; F893-F916 AromaticContact CD2-CE1 3.69Å; F893-F916 HydrophobicContact CD2-CE1 3.69Å; F893-F916 AromaticContact CD2-CE2 3.99Å; F893-F916 HydrophobicContact CD2-CE2 3.99Å; F893-F916 AromaticContact CD2-CG 3.92Å; F893-F916 HydrophobicContact CD2-CG 3.92Å; F893-F916 AromaticContact CD2-CZ 3.81Å; F893-F916 HydrophobicContact CD2-CZ 3.81Å; F893-F916 HydrophobicContact CE2-CB 4.31Å; F893-F916 HydrophobicContact CE2-CD1 4.18Å; F893-F916 HydrophobicContact CE2-CD2 4.05Å; F893-F916 HydrophobicContact CE2-CE2 4.43Å; F893-F916 AromaticContact CE2-CG 3.92Å; F893-F916 HydrophobicContact CE2-CG 3.92Å; F893-F916 HydrophobicContact CG-CD1 4.13Å; F893-F916 AromaticContact CG-CE1 3.97Å; F893-F916 HydrophobicContact CG-CE1 3.97Å; F893-F916 HydrophobicContact CG-CZ 4.43Å
894T84.8Confident83.5Confident61 Ų6157.1 Ų57.137%0.37430%0.297SS..  trans-82.6160.7174.569.40000111.9M892 E896 Q897 L898M892-T894 PolarHBondContact O-N 3.22Å; M892-T894 VanDerWaalsContact O-N 3.08Å; T894-E896 PolarHBondContact O-N 3.09Å; T894-Q897 PolarHBondContact O-N 2.83Å; T894-Q897 VanDerWaalsContact O-N 3.1Å; T894-L898 WeakPolarHBondContact O-CG 3.48Å; T894-L898 PolarHBondContact O-N 3.39Å
895R80.9Confident82.1Confident145 Ų14558.1 Ų58.155%0.54730%0.301SS..Hα-helixtrans-50.9-41.5175.2-176.8178.8177.1-176.5-0113.1A899 Q945R895-A899 WeakPolarHBondContact O-CB 3.44Å; R895-A899 PolarHBondContact O-N 2.96Å; R895-Q945 HydrophobicContact CB-CB 4.36Å; R895-Q945 HydrophobicContact CB-CG 4.42Å
896E79.6Confident80.9Confident162 Ų16260.8 Ų60.876%0.75733%0.329SS*.Hα-helixtrans-65.8-41.5-179.5-67.2177.7-178.800112T894 A899 A900T894-E896 PolarHBondContact O-N 3.09Å; E896-A899 PolarHBondContact O-N 2.56Å; E896-A900 WeakPolarHBondContact O-CB 3.48Å; E896-A900 PolarHBondContact O-N 3.34Å
897Q79.3Confident80.6Confident54 Ų5462 Ų6225%0.25234%0.337SS..Hα-helixtrans-69.6-41.1178.5-68.1179.32.100112.2I853 M892 T894 A900 S901I853-Q897 VanDerWaalsContact CD1-OE1 3.27Å; M892-Q897 PolarHBondContact O-OE1 3.3Å; T894-Q897 PolarHBondContact O-N 2.83Å; T894-Q897 VanDerWaalsContact O-N 3.1Å; Q897-A900 PolarHBondContact O-N 3.4Å; Q897-S901 WeakPolarHBondContact O-CB 3.34Å; Q897-S901 PolarHBondContact O-N 3.3Å; Q897-S901 PolarHBondContact O-OG 3.15Å
898L81.9Confident80.1Confident0 Ų056.8 Ų56.80%031%0.314CS..Hα-helixtrans-63.9-45.2175-67171.3000110.6F893 T894 A900 S901 I902 V913 L941 Q945 V946F893-L898 HydrophobicContact CB-CD1 4.42Å; F893-L898 HydrophobicContact CB-CD2 4.17Å; F893-L898 HydrophobicContact CB-CG 4.29Å; F893-L898 HydrophobicContact CD1-CD2 3.9Å; F893-L898 HydrophobicContact CG-CD2 4.25Å; T894-L898 WeakPolarHBondContact O-CG 3.48Å; T894-L898 PolarHBondContact O-N 3.39Å; L898-A900 VanDerWaalsContact C-N 3.32Å; L898-A900 PolarHBondContact O-N 3.03Å; L898-S901 PolarHBondContact O-N 3.39Å; L898-I902 WeakPolarHBondContact O-CD1 3.36Å; L898-I902 WeakPolarHBondContact O-CG1 3.47Å; L898-I902 PolarHBondContact O-N 3.23Å; L898-I902 VanDerWaalsContact O-N 3.15Å; L898-V913 HydrophobicContact CD2-CG1 4.38Å; L898-V913 HydrophobicContact CD2-CG2 3.85Å; L898-L941 HydrophobicContact CD1-CD1 3.91Å; L898-Q945 HydrophobicContact CD1-CB 4.38Å; L898-V946 HydrophobicContact CD1-CG2 4.07Å
899A82.1Confident79.9Confident26 Ų2655.5 Ų55.522%0.21531%0.307CS..Hα-helixtrans-61.4-39.9176.900000112.5R895 E896 L903 V949R895-A899 WeakPolarHBondContact O-CB 3.44Å; R895-A899 PolarHBondContact O-N 2.96Å; E896-A899 PolarHBondContact O-N 2.56Å; A899-L903 WeakPolarHBondContact O-CG 3.19Å; A899-V949 HydrophobicContact CB-CG1 4.43Å; A899-V949 HydrophobicContact CB-CG2 4Å
900A79.8Confident79.6Confident58 Ų5855.7 Ų55.748%0.47931%0.308SS..Hα-helixtrans-67.1-39.4175.800000112.5E896 Q897 L898 I902 L903E896-A900 WeakPolarHBondContact O-CB 3.48Å; E896-A900 PolarHBondContact O-N 3.34Å; Q897-A900 PolarHBondContact O-N 3.4Å; L898-A900 VanDerWaalsContact C-N 3.32Å; L898-A900 PolarHBondContact O-N 3.03Å; A900-I902 VanDerWaalsContact C-N 3.28Å; A900-I902 PolarHBondContact O-N 2.94Å; A900-L903 HydrophobicContact CB-CD1 4.45Å; A900-L903 WeakPolarHBondContact O-CB 3.44Å; A900-L903 WeakPolarHBondContact O-CG 3.14Å; A900-L903 PolarHBondContact O-N 3.02Å
901S80.4Confident79.6Confident30 Ų3059 Ų5921%0.2132%0.319CS..Hα-helixtrans-69.4-25.2-179.1-58.50000113.2Q897 L898 G909 C910Q897-S901 WeakPolarHBondContact O-CB 3.34Å; Q897-S901 PolarHBondContact O-N 3.3Å; Q897-S901 PolarHBondContact O-OG 3.15Å; L898-S901 PolarHBondContact O-N 3.39Å; S901-G909 CarbonylContact O-C 3.5Å; S901-G909 VanDerWaalsContact O-C 3.22Å; S901-G909 WeakPolarHBondContact O-CA 3.02Å; S901-C910 PolarHBondContact O-N 2.96Å
902I79.3Confident79.7Confident6 Ų655.9 Ų55.93%0.03130%0.297CS..THydrogen-bonded Turntrans-90-0.7-179.8-60.7162.7000111.8L898 A900 Q904 V913 V949 V950 V958L898-I902 WeakPolarHBondContact O-CD1 3.36Å; L898-I902 WeakPolarHBondContact O-CG1 3.47Å; L898-I902 PolarHBondContact O-N 3.23Å; L898-I902 VanDerWaalsContact O-N 3.15Å; A900-I902 VanDerWaalsContact C-N 3.28Å; A900-I902 PolarHBondContact O-N 2.94Å; I902-Q904 VanDerWaalsContact C-N 3.34Å; I902-Q904 PolarHBondContact O-N 3.37Å; I902-V913 HydrophobicContact CD1-CG1 4.37Å; I902-V913 HydrophobicContact CD1-CG2 4.42Å; I902-V913 HydrophobicContact CG1-CG2 4.11Å; I902-V949 HydrophobicContact CB-CG1 4.09Å; I902-V949 HydrophobicContact CD1-CB 4.44Å; I902-V949 HydrophobicContact CD1-CG1 3.89Å; I902-V949 HydrophobicContact CG2-CG1 4.02Å; I902-V950 HydrophobicContact CD1-CG2 4.11Å; I902-V958 HydrophobicContact CD1-CG1 4.39Å
903L71.8Confident79.9Confident112 Ų11253.5 Ų53.559%0.58629%0.285SS*.SBendtrans-66.2-28.2-174.8-76.6169.1000114.7A899 A900 R953A899-L903 WeakPolarHBondContact O-CG 3.19Å; A900-L903 HydrophobicContact CB-CD1 4.45Å; A900-L903 WeakPolarHBondContact O-CB 3.44Å; A900-L903 WeakPolarHBondContact O-CG 3.14Å; A900-L903 PolarHBondContact O-N 3.02Å; L903-R953 VanDerWaalsContact CD2-NH1 3.28Å
904Q68.2Low80.2Confident141 Ų14154.8 Ų54.866%0.65929%0.291SS*.SBendtrans-122.3117.3-177.8-70.3-177.9-8.600110.2I902 S907 C910I902-Q904 VanDerWaalsContact C-N 3.34Å; I902-Q904 PolarHBondContact O-N 3.37Å; Q904-S907 WeakPolarHBondContact O-CB 3.1Å; Q904-S907 PolarHBondContact O-N 3.46Å; Q904-S907 PolarHBondContact O-OG 3.16Å; Q904-C910 PolarHBondContact O-SG 3.16Å
905E61.3Low80.6Confident122 Ų12253.7 Ų53.757%0.5728%0.281SS*.THydrogen-bonded Turntrans-58.2139.6173.8-69.6-177.1175.900110.8S907 S954E905-S907 PolarHBondContact O-N 2.67Å; E905-S907 VanDerWaalsContact O-N 3.14Å; E905-S954 VanDerWaalsContact OE1-C 3.29Å; E905-S954 WeakPolarHBondContact OE1-CB 3.5Å; E905-S954 PolarHBondContact OE1-OG 3.2Å
906G64.5Low81.2Confident56 Ų5646.9 Ų46.958%0.57726%0.255SS*.THydrogen-bonded Turntrans71.1-1.4-177.400000116R911G906-R911 PolarHBondContact O-NH1 3.3Å
907S82Confident81.8Confident26 Ų2639.1 Ų39.118%0.18222%0.219CC..SBendtrans-69158.8179.671.30000112.8Q904 E905 G909 C910 R911Q904-S907 WeakPolarHBondContact O-CB 3.1Å; Q904-S907 PolarHBondContact O-N 3.46Å; Q904-S907 PolarHBondContact O-OG 3.16Å; E905-S907 PolarHBondContact O-N 2.67Å; E905-S907 VanDerWaalsContact O-N 3.14Å; S907-G909 PolarHBondContact O-N 2.77Å; S907-G909 PolarHBondContact OG-N 3.44Å; S907-C910 WeakPolarHBondContact O-CB 3.48Å; S907-C910 PolarHBondContact O-N 2.88Å; S907-C910 VanDerWaalsContact O-N 3.09Å; S907-C910 PolarHBondContact OG-N 2.7Å; S907-R911 PolarHBondContact O-N 2.54Å
908A80.1Confident82.6Confident7 Ų739.8 Ų39.86%0.05822%0.221CC..Hα-helixtrans-56.6-28.317000000112.3P856 D857 R911 V912P856-A908 HydrophobicContact CB-CB 3.78Å; P856-A908 HydrophobicContact CG-CB 4.25Å; D857-A908 WeakPolarHBondContact OD1-CB 3.35Å; A908-R911 PolarHBondContact O-N 2.78Å; A908-V912 WeakPolarHBondContact O-CG2 3.33Å; A908-V912 PolarHBondContact O-N 2.93Å
909G84.2Confident83.1Confident3 Ų339.8 Ų39.83%0.03122%0.221CC..Hα-helixtrans-63.2-41.2174.500000112.9S901 S907 R911 V912 V913S901-G909 CarbonylContact O-C 3.5Å; S901-G909 VanDerWaalsContact O-C 3.22Å; S901-G909 WeakPolarHBondContact O-CA 3.02Å; S907-G909 PolarHBondContact O-N 2.77Å; S907-G909 PolarHBondContact OG-N 3.44Å; G909-R911 PolarHBondContact O-N 3.12Å; G909-V912 WeakPolarHBondContact O-CB 3.11Å; G909-V912 PolarHBondContact O-N 3.39Å; G909-V913 PolarHBondContact O-N 3.35Å
910C85.1Confident83.6Confident5 Ų538.6 Ų38.63%0.03421%0.212CC..Hα-helixtrans-62.6-42.5174.2-74.30000111.6S901 Q904 S907 V912 V913 Q914 V958S901-C910 PolarHBondContact O-N 2.96Å; Q904-C910 PolarHBondContact O-SG 3.16Å; S907-C910 WeakPolarHBondContact O-CB 3.48Å; S907-C910 PolarHBondContact O-N 2.88Å; S907-C910 VanDerWaalsContact O-N 3.09Å; S907-C910 PolarHBondContact OG-N 2.7Å; C910-V912 PolarHBondContact O-N 3.08Å; C910-V913 PolarHBondContact O-N 2.66Å; C910-Q914 VanDerWaalsContact O-CG 3.28Å; C910-Q914 WeakPolarHBondContact O-CG 3.45Å; C910-Q914 PolarHBondContact O-N 3.46Å; C910-V958 HydrophobicContact CB-CG2 4.18Å
911R87.3Confident84.2Confident101 Ų10136.7 Ų36.738%0.38119%0.193SC..Hα-helixtrans-64.4-36.9177.3-63.2-167.4-65.9-95.74.2112.9D860 G906 S907 A908 G909 Q914 K915D860-R911 WeakPolarHBondContact OD1-CB 3.4Å; D860-R911 IonicContact OD2-CZ 3.43Å; D860-R911 IonicContact OD2-NE 3.14Å; D860-R911 PolarHBondContact OD2-NE 3.3Å; D860-R911 IonicContact OD2-NH2 3.96Å; G906-R911 PolarHBondContact O-NH1 3.3Å; S907-R911 PolarHBondContact O-N 2.54Å; A908-R911 PolarHBondContact O-N 2.78Å; G909-R911 PolarHBondContact O-N 3.12Å; R911-Q914 PolarHBondContact O-N 3.48Å; R911-K915 WeakPolarHBondContact O-CB 3.38Å; R911-K915 WeakPolarHBondContact O-CG 3.03Å; R911-K915 PolarHBondContact O-N 3Å
912V90.1Very high84.7Confident4 Ų436.1 Ų36.12%0.02419%0.188CC..Hα-helixtrans-57-50.5171.8165.10000110.7P856 T859 D860 L863 F893 A908 G909 C910 K915 F916P856-V912 WeakPolarHBondContact O-CG2 3.37Å; T859-V912 HydrophobicContact CG2-CG1 3.78Å; T859-V912 HydrophobicContact CG2-CG2 3.92Å; D860-V912 HydrophobicContact CB-CG2 3.86Å; L863-V912 HydrophobicContact CD1-CB 4.33Å; L863-V912 HydrophobicContact CD1-CG1 3.72Å; L863-V912 VanDerWaalsContact CD1-O 3.24Å; L863-V912 WeakPolarHBondContact CD1-O 3.41Å; F893-V912 HydrophobicContact CE1-CG1 3.73Å; F893-V912 HydrophobicContact CZ-CG1 3.76Å; A908-V912 WeakPolarHBondContact O-CG2 3.33Å; A908-V912 PolarHBondContact O-N 2.93Å; G909-V912 WeakPolarHBondContact O-CB 3.11Å; G909-V912 PolarHBondContact O-N 3.39Å; C910-V912 PolarHBondContact O-N 3.08Å; V912-K915 PolarHBondContact O-N 3.4Å; V912-F916 WeakPolarHBondContact O-CB 3.45Å; V912-F916 PolarHBondContact O-N 2.8Å
913V90.1Very high85.1Confident0 Ų036 Ų360%019%0.187CC..Hα-helixtrans-64.9-43179.6-178.40000111.2L898 I902 G909 C910 K915 F916 L917 V958L898-V913 HydrophobicContact CD2-CG1 4.38Å; L898-V913 HydrophobicContact CD2-CG2 3.85Å; I902-V913 HydrophobicContact CD1-CG1 4.37Å; I902-V913 HydrophobicContact CD1-CG2 4.42Å; I902-V913 HydrophobicContact CG1-CG2 4.11Å; G909-V913 PolarHBondContact O-N 3.35Å; C910-V913 PolarHBondContact O-N 2.66Å; V913-K915 PolarHBondContact O-N 3.44Å; V913-F916 PolarHBondContact O-N 3.41Å; V913-L917 HydrophobicContact CG1-CD1 4.11Å; V913-L917 HydrophobicContact CG1-CG 4.35Å; V913-L917 WeakPolarHBondContact O-CG 3.32Å; V913-L917 PolarHBondContact O-N 3.38Å; V913-V958 HydrophobicContact CB-CG1 4.45Å; V913-V958 HydrophobicContact CG1-CG1 3.72Å
914Q91.9Very high85.9Confident31 Ų3130.8 Ų30.815%0.14516%0.16CC..Hα-helixtrans-56.5-51.4175.8-70.3163.820.700111.8C910 R911 F916 L917 K918 D957 V958 E961C910-Q914 VanDerWaalsContact O-CG 3.28Å; C910-Q914 WeakPolarHBondContact O-CG 3.45Å; C910-Q914 PolarHBondContact O-N 3.46Å; R911-Q914 PolarHBondContact O-N 3.48Å; Q914-F916 VanDerWaalsContact C-N 3.32Å; Q914-F916 PolarHBondContact O-N 3.41Å; Q914-L917 PolarHBondContact O-N 2.76Å; Q914-K918 WeakPolarHBondContact O-CG 3.22Å; Q914-K918 PolarHBondContact O-N 2.86Å; Q914-D957 HydrophobicContact CG-CB 4.32Å; Q914-V958 HydrophobicContact CG-CG2 4.05Å; Q914-E961 HydrophobicContact CB-CG 4.28Å; Q914-E961 HydrophobicContact CG-CG 4.29Å
915K92.6Very high86.8Confident39 Ų3927.9 Ų27.917%0.1715%0.147CC..Hα-helixtrans-64.3-38.1-180-73170.2-179.7159.10111.8D860 L863 A864 L867 R911 V912 V913 K918 I919D860-K915 WeakPolarHBondContact O-CD 2.97Å; D860-K915 PolarHBondContact O-NZ 3.01Å; D860-K915 WeakPolarHBondContact OD1-CD 3.45Å; D860-K915 WeakPolarHBondContact OD1-CE 3.38Å; D860-K915 IonicContact OD1-NZ 3.03Å; D860-K915 PolarHBondContact OD1-NZ 3.26Å; D860-K915 IonicContact OD2-NZ 3.85Å; D860-K915 PolarHBondContact OD2-NZ 2.8Å; D860-K915 VanDerWaalsContact OD2-NZ 3.16Å; L863-K915 HydrophobicContact CB-CB 3.97Å; L863-K915 HydrophobicContact CB-CD 4.39Å; L863-K915 HydrophobicContact CD1-CB 4.46Å; A864-K915 HydrophobicContact CB-CD 4.02Å; L867-K915 HydrophobicContact CD2-CG 4.29Å; R911-K915 WeakPolarHBondContact O-CB 3.38Å; R911-K915 WeakPolarHBondContact O-CG 3.03Å; R911-K915 PolarHBondContact O-N 3Å; V912-K915 PolarHBondContact O-N 3.4Å; V913-K915 PolarHBondContact O-N 3.44Å; K915-K918 PolarHBondContact O-N 3.01Å; K915-I919 WeakPolarHBondContact O-CG1 3.33Å; K915-I919 PolarHBondContact O-N 3.42Å
916F93.5Very high87.7Confident1 Ų124 Ų240%0.00413%0.128CC..Hα-helixtrans-61.2-46.7174.3177-135.3000111.8L863 F889 L890 F893 V912 V913 Q914 K918 I919 L920 L941L863-F916 HydrophobicContact CD1-CB 4.07Å; F889-F916 HydrophobicContact CB-CD2 4.22Å; F889-F916 HydrophobicContact CB-CE2 3.61Å; F889-F916 HydrophobicContact CB-CZ 4.37Å; F889-F916 HydrophobicContact CG-CE2 4.5Å; L890-F916 HydrophobicContact CD2-CZ 4.17Å; F893-F916 HydrophobicContact CB-CD1 4.5Å; F893-F916 HydrophobicContact CB-CE1 3.91Å; F893-F916 HydrophobicContact CB-CZ 4.35Å; F893-F916 AromaticContact CD2-CD1 3.77Å; F893-F916 HydrophobicContact CD2-CD1 3.77Å; F893-F916 HydrophobicContact CD2-CD2 4.01Å; F893-F916 AromaticContact CD2-CE1 3.69Å; F893-F916 HydrophobicContact CD2-CE1 3.69Å; F893-F916 AromaticContact CD2-CE2 3.99Å; F893-F916 HydrophobicContact CD2-CE2 3.99Å; F893-F916 AromaticContact CD2-CG 3.92Å; F893-F916 HydrophobicContact CD2-CG 3.92Å; F893-F916 AromaticContact CD2-CZ 3.81Å; F893-F916 HydrophobicContact CD2-CZ 3.81Å; F893-F916 HydrophobicContact CE2-CB 4.31Å; F893-F916 HydrophobicContact CE2-CD1 4.18Å; F893-F916 HydrophobicContact CE2-CD2 4.05Å; F893-F916 HydrophobicContact CE2-CE2 4.43Å; F893-F916 AromaticContact CE2-CG 3.92Å; F893-F916 HydrophobicContact CE2-CG 3.92Å; F893-F916 HydrophobicContact CG-CD1 4.13Å; F893-F916 AromaticContact CG-CE1 3.97Å; F893-F916 HydrophobicContact CG-CE1 3.97Å; F893-F916 HydrophobicContact CG-CZ 4.43Å; V912-F916 WeakPolarHBondContact O-CB 3.45Å; V912-F916 PolarHBondContact O-N 2.8Å; V913-F916 PolarHBondContact O-N 3.41Å; Q914-F916 VanDerWaalsContact C-N 3.32Å; Q914-F916 PolarHBondContact O-N 3.41Å; F916-K918 PolarHBondContact O-N 3.25Å; F916-I919 WeakPolarHBondContact O-CB 3.44Å; F916-I919 PolarHBondContact O-N 2.87Å; F916-L920 HydrophobicContact CD2-CG 4.45Å; F916-L920 HydrophobicContact CE1-CD1 4.33Å; F916-L920 HydrophobicContact CE2-CD1 4.06Å; F916-L920 HydrophobicContact CE2-CD2 4.17Å; F916-L920 HydrophobicContact CE2-CG 4.11Å; F916-L920 HydrophobicContact CZ-CD1 3.94Å; F916-L920 HydrophobicContact CZ-CG 4.49Å; F916-L920 WeakPolarHBondContact O-CG 3.08Å; F916-L920 PolarHBondContact O-N 2.94Å; F916-L920 VanDerWaalsContact O-N 3.14Å; F916-L941 HydrophobicContact CE1-CD1 4.36Å; F916-L941 HydrophobicContact CE1-CD2 3.51Å; F916-L941 HydrophobicContact CZ-CD2 3.72Å
917L93.3Very high87.9Confident0 Ų027.1 Ų27.10%014%0.139CC..Hα-helixtrans-61.7-41.5175.5-66.6174000111.8V913 Q914 I919 L920 Q921 V958 E961 M962 L965V913-L917 HydrophobicContact CG1-CD1 4.11Å; V913-L917 HydrophobicContact CG1-CG 4.35Å; V913-L917 WeakPolarHBondContact O-CG 3.32Å; V913-L917 PolarHBondContact O-N 3.38Å; Q914-L917 PolarHBondContact O-N 2.76Å; L917-I919 VanDerWaalsContact C-N 3.35Å; L917-I919 PolarHBondContact O-N 3.13Å; L917-L920 WeakPolarHBondContact O-CB 2.9Å; L917-L920 PolarHBondContact O-N 3.15Å; L917-L920 VanDerWaalsContact O-N 3.12Å; L917-Q921 WeakPolarHBondContact O-CG 3.45Å; L917-Q921 PolarHBondContact O-N 3.04Å; L917-V958 HydrophobicContact CD1-CG1 4.21Å; L917-E961 HydrophobicContact CB-CB 4.17Å; L917-E961 HydrophobicContact CD1-CB 4.14Å; L917-M962 HydrophobicContact CD1-CB 3.99Å; L917-L965 HydrophobicContact CD2-CD2 3.79Å
918K94.1Very high87.4Confident67 Ų6727.3 Ų27.329%0.29114%0.144SC..Hα-helixtrans-59.5-40.8173.7-73.8-176-179.7-1750113.1L867 Q914 K915 F916 L920 Q921 V922 E961L867-K918 HydrophobicContact CD1-CB 3.74Å; L867-K918 HydrophobicContact CD2-CB 3.93Å; L867-K918 HydrophobicContact CD2-CD 4.02Å; Q914-K918 WeakPolarHBondContact O-CG 3.22Å; Q914-K918 PolarHBondContact O-N 2.86Å; K915-K918 PolarHBondContact O-N 3.01Å; F916-K918 PolarHBondContact O-N 3.25Å; K918-L920 VanDerWaalsContact C-N 3.3Å; K918-L920 PolarHBondContact O-N 2.9Å; K918-Q921 WeakPolarHBondContact O-CB 3.39Å; K918-Q921 PolarHBondContact O-N 3.42Å; K918-V922 WeakPolarHBondContact O-CG2 3.29Å; K918-V922 PolarHBondContact O-N 3.18Å; K918-E961 WeakPolarHBondContact CE-OE1 3.27Å; K918-E961 WeakPolarHBondContact CE-OE2 3.23Å; K918-E961 VanDerWaalsContact CG-OE2 3.31Å; K918-E961 WeakPolarHBondContact CG-OE2 3.38Å; K918-E961 IonicContact NZ-OE1 2.69Å; K918-E961 PolarHBondContact NZ-OE1 3.14Å; K918-E961 VanDerWaalsContact NZ-OE1 3.08Å
919I93.2Very high87Confident0 Ų033.9 Ų33.90%017%0.174CC..Hα-helixtrans-60-44.3174.7-69.6166.6000109.9L863 F866 L867 F870 F889 K915 F916 L917 V922 V923L863-I919 HydrophobicContact CD2-CD1 3.98Å; F866-I919 HydrophobicContact CB-CD1 4.14Å; L867-I919 HydrophobicContact CB-CD1 4.27Å; L867-I919 HydrophobicContact CB-CG1 3.88Å; L867-I919 HydrophobicContact CD1-CG1 3.81Å; L867-I919 HydrophobicContact CG-CG1 4.43Å; F870-I919 HydrophobicContact CD1-CG2 3.98Å; F870-I919 HydrophobicContact CE1-CG2 4.02Å; F870-I919 HydrophobicContact CG-CG2 4.25Å; F870-I919 HydrophobicContact CZ-CG2 4.34Å; F889-I919 HydrophobicContact CE2-CD1 4.05Å; K915-I919 WeakPolarHBondContact O-CG1 3.33Å; K915-I919 PolarHBondContact O-N 3.42Å; F916-I919 WeakPolarHBondContact O-CB 3.44Å; F916-I919 PolarHBondContact O-N 2.87Å; L917-I919 VanDerWaalsContact C-N 3.35Å; L917-I919 PolarHBondContact O-N 3.13Å; I919-V922 PolarHBondContact O-N 3.18Å; I919-V923 WeakPolarHBondContact O-CG2 3.11Å; I919-V923 PolarHBondContact O-N 3.24Å; I919-V923 VanDerWaalsContact O-N 3.1Å
920L92.5Very high86.5Confident2 Ų235.6 Ų35.61%0.0119%0.188CC..Hα-helixtrans-65.7-37.5177.2-60.9-179.6000112.2L890 F916 L917 K918 V922 V923 V924 I938 L941 L965L890-L920 HydrophobicContact CD2-CD1 4.49Å; L890-L920 HydrophobicContact CD2-CD2 4.44Å; F916-L920 HydrophobicContact CD2-CG 4.45Å; F916-L920 HydrophobicContact CE1-CD1 4.33Å; F916-L920 HydrophobicContact CE2-CD1 4.06Å; F916-L920 HydrophobicContact CE2-CD2 4.17Å; F916-L920 HydrophobicContact CE2-CG 4.11Å; F916-L920 HydrophobicContact CZ-CD1 3.94Å; F916-L920 HydrophobicContact CZ-CG 4.49Å; F916-L920 WeakPolarHBondContact O-CG 3.08Å; F916-L920 PolarHBondContact O-N 2.94Å; F916-L920 VanDerWaalsContact O-N 3.14Å; L917-L920 WeakPolarHBondContact O-CB 2.9Å; L917-L920 PolarHBondContact O-N 3.15Å; L917-L920 VanDerWaalsContact O-N 3.12Å; K918-L920 VanDerWaalsContact C-N 3.3Å; K918-L920 PolarHBondContact O-N 2.9Å; L920-V922 VanDerWaalsContact C-N 3.34Å; L920-V922 PolarHBondContact O-N 3.2Å; L920-V923 PolarHBondContact O-N 3.08Å; L920-V924 WeakPolarHBondContact O-CB 3.44Å; L920-V924 VanDerWaalsContact O-CG2 3.25Å; L920-V924 WeakPolarHBondContact O-CG2 3.41Å; L920-V924 PolarHBondContact O-N 2.86Å; L920-I938 HydrophobicContact CB-CG2 4.39Å; L920-I938 HydrophobicContact CD1-CG2 4.26Å; L920-I938 HydrophobicContact CD2-CD1 4.15Å; L920-I938 HydrophobicContact CD2-CG1 4.12Å; L920-L941 HydrophobicContact CD1-CD2 3.47Å; L920-L941 VanDerWaalsContact CD1-CD2 3.47Å; L920-L965 HydrophobicContact CB-CD1 3.99Å; L920-L965 HydrophobicContact CB-CD2 4.04Å; L920-L965 HydrophobicContact CD1-CD2 4.29Å
921Q93Very high86.2Confident17 Ų1736 Ų368%0.07919%0.189CC..Hα-helixtrans-58-48.3174.5-69164.914.600110.5L917 K918 V923 V924 Q925 E961 E964 L965L917-Q921 WeakPolarHBondContact O-CG 3.45Å; L917-Q921 PolarHBondContact O-N 3.04Å; K918-Q921 WeakPolarHBondContact O-CB 3.39Å; K918-Q921 PolarHBondContact O-N 3.42Å; Q921-V923 VanDerWaalsContact C-N 3.28Å; Q921-V923 PolarHBondContact O-N 3.26Å; Q921-V924 PolarHBondContact O-N 3.34Å; Q921-Q925 VanDerWaalsContact O-CG 3.29Å; Q921-Q925 WeakPolarHBondContact O-CG 3.44Å; Q921-Q925 PolarHBondContact O-N 3.23Å; Q921-E961 PolarHBondContact NE2-O 2.92Å; Q921-E961 PolarHBondContact NE2-OE2 2.83Å; Q921-E964 HydrophobicContact CG-CG 4.37Å; Q921-L965 HydrophobicContact CB-CD1 4.31Å; Q921-L965 HydrophobicContact CG-CB 3.79Å; Q921-L965 HydrophobicContact CG-CD1 3.83Å; Q921-L965 HydrophobicContact CG-CG 4.4Å
922V90Very high85.9Confident18 Ų1834.2 Ų34.211%0.10918%0.184CC..Hα-helixtrans-58.3-41.4178.2169.90000110.8L867 F870 Q871 R874 K918 I919 L920L867-V922 HydrophobicContact CD1-CG2 4.41Å; F870-V922 HydrophobicContact CB-CG1 4.08Å; Q871-V922 HydrophobicContact CG-CG2 3.93Å; R874-V922 PolarHBondContact NH1-O 3.25Å; K918-V922 WeakPolarHBondContact O-CG2 3.29Å; K918-V922 PolarHBondContact O-N 3.18Å; I919-V922 PolarHBondContact O-N 3.18Å; L920-V922 VanDerWaalsContact C-N 3.34Å; L920-V922 PolarHBondContact O-N 3.2Å
923V87.8Confident85.7Confident3 Ų338.5 Ų38.52%0.01821%0.212CC..Hα-helixtrans-67-40.7177172.60000112.5F870 I886 I919 L920 Q921 Q925 E926 F931 I938F870-V923 HydrophobicContact CD1-CG2 3.87Å; F870-V923 HydrophobicContact CE1-CG2 3.73Å; I886-V923 HydrophobicContact CD1-CB 4.31Å; I886-V923 HydrophobicContact CD1-CG1 3.75Å; I886-V923 HydrophobicContact CD1-CG2 3.52Å; I886-V923 HydrophobicContact CG1-CG2 4.01Å; I919-V923 WeakPolarHBondContact O-CG2 3.11Å; I919-V923 PolarHBondContact O-N 3.24Å; I919-V923 VanDerWaalsContact O-N 3.1Å; L920-V923 PolarHBondContact O-N 3.08Å; Q921-V923 VanDerWaalsContact C-N 3.28Å; Q921-V923 PolarHBondContact O-N 3.26Å; V923-Q925 VanDerWaalsContact C-N 3.34Å; V923-E926 WeakPolarHBondContact O-CB 3.46Å; V923-E926 PolarHBondContact O-N 3.06Å; V923-F931 HydrophobicContact CG1-CB 3.8Å; V923-F931 HydrophobicContact CG1-CD1 4.23Å; V923-F931 HydrophobicContact CG1-CG 4.02Å; V923-I938 HydrophobicContact CG1-CD1 4.5Å
924V88.4Confident85.4Confident4 Ų440.4 Ų40.42%0.02422%0.22CC..Hα-helixtrans-70.1-31.4-178.7167.80000112.2L920 Q921 E926 L935 I938 L965 Q968 I969 N973L920-V924 WeakPolarHBondContact O-CB 3.44Å; L920-V924 VanDerWaalsContact O-CG2 3.25Å; L920-V924 WeakPolarHBondContact O-CG2 3.41Å; L920-V924 PolarHBondContact O-N 2.86Å; Q921-V924 PolarHBondContact O-N 3.34Å; V924-E926 PolarHBondContact O-N 3.43Å; V924-L935 HydrophobicContact CG1-CD2 4.38Å; V924-L935 HydrophobicContact CG2-CD2 3.99Å; V924-I938 HydrophobicContact CG2-CD1 4.04Å; V924-I938 HydrophobicContact CG2-CG2 4.33Å; V924-L965 HydrophobicContact CG2-CD1 4.1Å; V924-Q968 HydrophobicContact CG1-CB 4.41Å; V924-I969 HydrophobicContact CB-CG1 4.3Å; V924-I969 VanDerWaalsContact CG1-CA 3.5Å; V924-I969 HydrophobicContact CG1-CB 4.09Å; V924-I969 HydrophobicContact CG1-CG1 3.52Å; V924-I969 HydrophobicContact CG2-CG1 3.84Å; V924-N973 VanDerWaalsContact CG1-ND2 3.33Å; V924-N973 WeakPolarHBondContact CG1-ND2 3.21Å; V924-N973 PolarHBondContact O-ND2 3.46Å
925Q88.1Confident85.2Confident79 Ų7939.1 Ų39.137%0.36921%0.214SC..THydrogen-bonded Turntrans-70.9-9.5179-71.8172.65.900114Q921 V923 Q968 Q972Q921-Q925 VanDerWaalsContact O-CG 3.29Å; Q921-Q925 WeakPolarHBondContact O-CG 3.44Å; Q921-Q925 PolarHBondContact O-N 3.23Å; V923-Q925 VanDerWaalsContact C-N 3.34Å; Q925-Q968 HydrophobicContact CG-CB 4.36Å; Q925-Q968 HydrophobicContact CG-CG 4.3Å; Q925-Q968 VanDerWaalsContact NE2-CD 3.29Å; Q925-Q972 HydrophobicContact CG-CG 4.28Å
926E81Confident85Confident40 Ų4039.6 Ų39.619%0.18722%0.222CC..  trans-67.7125.7179.3-91.4-78.3175.500112.5R874 V923 V924 G928 F931R874-E926 VanDerWaalsContact CZ-CD 3.47Å; R874-E926 IonicContact CZ-OE1 3.65Å; R874-E926 IonicContact NE-OE1 3.77Å; R874-E926 PolarHBondContact NE-OE1 3.43Å; R874-E926 IonicContact NH1-OE1 2.77Å; R874-E926 IonicContact NH2-OE1 3.76Å; R874-E926 PolarHBondContact NH2-OE1 3.34Å; V923-E926 WeakPolarHBondContact O-CB 3.46Å; V923-E926 PolarHBondContact O-N 3.06Å; V924-E926 PolarHBondContact O-N 3.43Å; E926-G928 PolarHBondContact O-N 3Å; E926-F931 HydrophobicContact CB-CD2 4.1Å; E926-F931 HydrophobicContact CG-CD2 4.11Å; E926-F931 HydrophobicContact CG-CE2 4.29Å
927P68.4Low84.7Confident123 Ų12342.5 Ų42.580%0.79924%0.242SC*.  trans-70.8-12.5178.327.2-34.4000114
928G70Confident84.6Confident29 Ų2942.5 Ų42.530%0.29924%0.242SC..SBendtrans-73158.9-175.900000115.7E926 A930E926-G928 PolarHBondContact O-N 3Å; G928-A930 PolarHBondContact O-N 2.94Å
929Q71.5Confident84.3Confident145 Ų14539.6 Ų39.668%0.67823%0.23SC*.SBendtrans-75.6-14.1173.9-64.8-70.7-8.100113.2F931 K932Q929-F931 PolarHBondContact O-N 3.45Å; Q929-K932 VanDerWaalsContact NE2-NZ 3.15Å; Q929-K932 VanDerWaalsContact OE1-CD 3.3Å
930A74.4Confident84.1Confident39 Ų3941.3 Ų41.332%0.32224%0.242SC..SBendtrans-56.6-41.7-173.500000114.6V879 G928V879-A930 HydrophobicContact CB-CB 4.36Å; V879-A930 HydrophobicContact CG1-CB 3.52Å; V879-A930 HydrophobicContact CG2-CB 3.85Å; G928-A930 PolarHBondContact O-N 2.94Å
931F77.9Confident84Confident13 Ų1341.3 Ų41.36%0.05724%0.242CC..SBendtrans-105.1-4.1-172.2-59.5-67.5000114V879 T882 I886 V923 E926 Q929 P933 F934V879-F931 HydrophobicContact CG1-CE1 4.42Å; V879-F931 HydrophobicContact CG1-CZ 4.36Å; V879-F931 HydrophobicContact CG2-CZ 4.42Å; T882-F931 HydrophobicContact CG2-CE1 3.67Å; T882-F931 HydrophobicContact CG2-CZ 3.64Å; I886-F931 HydrophobicContact CD1-CD1 3.88Å; I886-F931 HydrophobicContact CD1-CE1 3.96Å; V923-F931 HydrophobicContact CG1-CB 3.8Å; V923-F931 HydrophobicContact CG1-CD1 4.23Å; V923-F931 HydrophobicContact CG1-CG 4.02Å; E926-F931 HydrophobicContact CB-CD2 4.1Å; E926-F931 HydrophobicContact CG-CD2 4.11Å; E926-F931 HydrophobicContact CG-CE2 4.29Å; Q929-F931 PolarHBondContact O-N 3.45Å; F931-P933 VanDerWaalsContact C-N 3.32Å; F931-F934 HydrophobicContact CB-CD2 4.45Å; F931-F934 HydrophobicContact CD1-CD2 4.19Å; F931-F934 HydrophobicContact CD1-CE2 4.16Å; F931-F934 PolarHBondContact O-N 3.02Å; F931-F934 VanDerWaalsContact O-N 3.09Å
932K81.5Confident83.8Confident64 Ų6440.5 Ų40.528%0.27824%0.238SC..G310 helixtrans-58.1-32.9175.3-63.9-163.4-169165.30115.1Q929 F934 L935Q929-K932 VanDerWaalsContact NE2-NZ 3.15Å; Q929-K932 VanDerWaalsContact OE1-CD 3.3Å; K932-F934 PolarHBondContact O-N 3.17Å; K932-F934 VanDerWaalsContact O-N 3.14Å; K932-L935 HydrophobicContact CB-CD1 4.11Å; K932-L935 HydrophobicContact CG-CD1 4.12Å; K932-L935 WeakPolarHBondContact O-CB 3.35Å; K932-L935 WeakPolarHBondContact O-CG 3.36Å; K932-L935 PolarHBondContact O-N 2.63Å; K932-L935 VanDerWaalsContact O-N 3.09Å
933P85.5Confident83.8Confident95 Ų9541 Ų4162%0.61724%0.24SC*.G310 helixtrans-58.7-23.2174.9-26.636.3000114.1F931 P936F931-P933 VanDerWaalsContact C-N 3.32Å; P933-P936 WeakPolarHBondContact O-CD 3.43Å
934F85Confident83.8Confident39 Ų3946.8 Ų46.817%0.17127%0.266CS..G310 helixtrans-85.5-14.8178.5-60.5-71.1000113.7I886 H887 L890 F931 K932 P936 S937 I938I886-F934 HydrophobicContact CG2-CD1 4.31Å; I886-F934 HydrophobicContact CG2-CG 4.34Å; H887-F934 HydrophobicContact CB-CE1 4.45Å; L890-F934 HydrophobicContact CD1-CD1 4.35Å; F931-F934 HydrophobicContact CB-CD2 4.45Å; F931-F934 HydrophobicContact CD1-CD2 4.19Å; F931-F934 HydrophobicContact CD1-CE2 4.16Å; F931-F934 PolarHBondContact O-N 3.02Å; F931-F934 VanDerWaalsContact O-N 3.09Å; K932-F934 PolarHBondContact O-N 3.17Å; K932-F934 VanDerWaalsContact O-N 3.14Å; F934-P936 VanDerWaalsContact C-CD 3.45Å; F934-S937 PolarHBondContact O-N 3.46Å; F934-S937 VanDerWaalsContact O-N 3.08Å; F934-I938 HydrophobicContact CB-CD1 4.14Å; F934-I938 WeakPolarHBondContact O-CG1 3.43Å; F934-I938 PolarHBondContact O-N 3.06Å
935L87.3Confident83.7Confident4 Ų448.8 Ų48.82%0.02128%0.276CS..Hα-helixtrans-53.4-43.8-177.4-70171.5000113.7V924 K932 S937 I938 L939 N973 Y976V924-L935 HydrophobicContact CG1-CD2 4.38Å; V924-L935 HydrophobicContact CG2-CD2 3.99Å; K932-L935 HydrophobicContact CB-CD1 4.11Å; K932-L935 HydrophobicContact CG-CD1 4.12Å; K932-L935 WeakPolarHBondContact O-CB 3.35Å; K932-L935 WeakPolarHBondContact O-CG 3.36Å; K932-L935 PolarHBondContact O-N 2.63Å; K932-L935 VanDerWaalsContact O-N 3.09Å; L935-S937 VanDerWaalsContact C-N 3.34Å; L935-S937 PolarHBondContact O-N 3.22Å; L935-I938 PolarHBondContact O-N 3.22Å; L935-L939 WeakPolarHBondContact O-CB 3.41Å; L935-L939 WeakPolarHBondContact O-CG 3.38Å; L935-L939 PolarHBondContact O-N 3.5Å; L935-N973 HydrophobicContact CD1-CB 4.09Å; L935-Y976 HydrophobicContact CD1-CD2 4.36Å
936P88.1Confident83.7Confident49 Ų4945.1 Ų45.132%0.31826%0.258SS..Hα-helixtrans-62.2-41177.6-20.232.3000112.6P933 F934 L939 S940P933-P936 WeakPolarHBondContact O-CD 3.43Å; F934-P936 VanDerWaalsContact C-CD 3.45Å; P936-L939 PolarHBondContact O-N 3.45Å; P936-S940 WeakPolarHBondContact O-CB 3.44Å; P936-S940 PolarHBondContact O-N 3.3Å
937S88Confident84.1Confident63 Ų6345.3 Ų45.344%0.44126%0.258SS..Hα-helixtrans-67.9-38.7178.2-560000112F934 L935 L941F934-S937 PolarHBondContact O-N 3.46Å; F934-S937 VanDerWaalsContact O-N 3.08Å; L935-S937 VanDerWaalsContact C-N 3.34Å; L935-S937 PolarHBondContact O-N 3.22Å; S937-L941 WeakPolarHBondContact O-CB 3.31Å; S937-L941 PolarHBondContact O-N 3.4Å
938I90.6Very high85Confident0 Ų041.3 Ų41.30%023%0.232CC..Hα-helixtrans-66.2-42.4175.7-65.5171000110.6L890 L920 V923 V924 F934 L935 L941 C942 L965 I969L890-I938 HydrophobicContact CD1-CG1 4.49Å; L920-I938 HydrophobicContact CB-CG2 4.39Å; L920-I938 HydrophobicContact CD1-CG2 4.26Å; L920-I938 HydrophobicContact CD2-CD1 4.15Å; L920-I938 HydrophobicContact CD2-CG1 4.12Å; V923-I938 HydrophobicContact CG1-CD1 4.5Å; V924-I938 HydrophobicContact CG2-CD1 4.04Å; V924-I938 HydrophobicContact CG2-CG2 4.33Å; F934-I938 HydrophobicContact CB-CD1 4.14Å; F934-I938 WeakPolarHBondContact O-CG1 3.43Å; F934-I938 PolarHBondContact O-N 3.06Å; L935-I938 PolarHBondContact O-N 3.22Å; I938-L941 PolarHBondContact O-N 2.94Å; I938-C942 VanDerWaalsContact O-CB 3.31Å; I938-C942 WeakPolarHBondContact O-CB 3.36Å; I938-C942 PolarHBondContact O-N 2.98Å; I938-L965 HydrophobicContact CG2-CD1 4.35Å; I938-L965 HydrophobicContact CG2-CD2 4.18Å; I938-I969 HydrophobicContact CG2-CD1 3.97Å
939L88.3Confident85.7Confident5 Ų540.5 Ų40.53%0.02622%0.221CC..Hα-helixtrans-64.7-43.9176.2-80.5169.5000112.2L935 P936 C942 M943 L966 I969 Y976 F977L935-L939 WeakPolarHBondContact O-CB 3.41Å; L935-L939 WeakPolarHBondContact O-CG 3.38Å; L935-L939 PolarHBondContact O-N 3.5Å; P936-L939 PolarHBondContact O-N 3.45Å; L939-C942 PolarHBondContact O-N 2.9Å; L939-M943 WeakPolarHBondContact O-CB 3.35Å; L939-M943 PolarHBondContact O-N 3.31Å; L939-L966 HydrophobicContact CD2-CD2 4.44Å; L939-I969 HydrophobicContact CD1-CG2 4.31Å; L939-I969 HydrophobicContact CD2-CD1 3.77Å; L939-I969 HydrophobicContact CD2-CG2 3.94Å; L939-I969 HydrophobicContact CG-CD1 4.16Å; L939-I969 HydrophobicContact CG-CG2 4.25Å; L939-Y976 HydrophobicContact CD1-CD1 4.42Å; L939-Y976 HydrophobicContact CD1-CE1 3.8Å; L939-F977 HydrophobicContact CD1-CE1 4.47Å; L939-F977 HydrophobicContact CD1-CZ 4.03Å
940S88.8Confident86.4Confident36 Ų3633.8 Ų33.825%0.25219%0.19SC..Hα-helixtrans-61.4-46.1174.4161.70000111.1P936 C942 M943 E944P936-S940 WeakPolarHBondContact O-CB 3.44Å; P936-S940 PolarHBondContact O-N 3.3Å; S940-C942 VanDerWaalsContact C-N 3.34Å; S940-C942 PolarHBondContact O-N 3.49Å; S940-M943 PolarHBondContact O-N 3.39Å; S940-E944 WeakPolarHBondContact O-CA 3.44Å; S940-E944 WeakPolarHBondContact O-CB 3.36Å; S940-E944 PolarHBondContact O-N 2.93Å; S940-E944 PolarHBondContact OG-OE2 3.11Å
941L89.7Confident86.8Confident2 Ų233.6 Ų33.61%0.0119%0.188CC..Iπ-helixtrans-55.3-50.2173.6178.881.8000111.4L890 L898 F916 L920 S937 I938 Q945 V946L890-L941 HydrophobicContact CD2-CD2 3.91Å; L898-L941 HydrophobicContact CD1-CD1 3.91Å; F916-L941 HydrophobicContact CE1-CD1 4.36Å; F916-L941 HydrophobicContact CE1-CD2 3.51Å; F916-L941 HydrophobicContact CZ-CD2 3.72Å; L920-L941 HydrophobicContact CD1-CD2 3.47Å; L920-L941 VanDerWaalsContact CD1-CD2 3.47Å; S937-L941 WeakPolarHBondContact O-CB 3.31Å; S937-L941 PolarHBondContact O-N 3.4Å; I938-L941 PolarHBondContact O-N 2.94Å; L941-Q945 HydrophobicContact CD1-CB 4.29Å; L941-Q945 HydrophobicContact CD1-CG 4.45Å; L941-Q945 WeakPolarHBondContact O-CA 3.48Å; L941-Q945 VanDerWaalsContact O-CB 3.31Å; L941-Q945 WeakPolarHBondContact O-CB 3.37Å; L941-Q945 PolarHBondContact O-N 2.9Å; L941-Q945 VanDerWaalsContact O-N 3.13Å; L941-V946 HydrophobicContact CG-CG2 4.41Å; L941-V946 PolarHBondContact O-N 3.13Å
942C90.2Very high86.8Confident0 Ų041.2 Ų41.20%022%0.224CC..Iπ-helixtrans-64.1-46.7-176-165.80000112.3I938 L939 S940 Y947 L966I938-C942 VanDerWaalsContact O-CB 3.31Å; I938-C942 WeakPolarHBondContact O-CB 3.36Å; I938-C942 PolarHBondContact O-N 2.98Å; L939-C942 PolarHBondContact O-N 2.9Å; S940-C942 VanDerWaalsContact C-N 3.34Å; S940-C942 PolarHBondContact O-N 3.49Å; C942-Y947 WeakPolarHBondContact O-CB 3.36Å; C942-Y947 PolarHBondContact O-N 3.09Å; C942-L966 HydrophobicContact CB-CD2 4.27Å; C942-L966 VanDerWaalsContact SG-CD2 3.51Å; C942-L966 VanDerWaalsContact SG-CG 3.58Å
943M89.8Confident86.4Confident30 Ų3043 Ų4315%0.14823%0.229CC..Iπ-helixtrans-88.7-34.2-173.3-64.6-54.8-59.900114.1L939 S940 Y947 P948 L966 A1003 A1007L939-M943 WeakPolarHBondContact O-CB 3.35Å; L939-M943 PolarHBondContact O-N 3.31Å; S940-M943 PolarHBondContact O-N 3.39Å; M943-Y947 HydrophobicContact CE-CD1 4.32Å; M943-P948 WeakPolarHBondContact O-CD 3.29Å; M943-L966 HydrophobicContact CG-CD2 4.43Å; M943-L966 HydrophobicContact SD-CD1 3.92Å; M943-L966 HydrophobicContact SD-CD2 3.78Å; M943-A1003 VanDerWaalsContact CE-C 3.47Å; M943-A1003 HydrophobicContact CE-CB 3.79Å; M943-A1003 VanDerWaalsContact CE-O 3.29Å; M943-A1003 WeakPolarHBondContact CE-O 3.45Å; M943-A1007 HydrophobicContact CE-CB 4.16Å
944E87.3Confident85.6Confident124 Ų12442.3 Ų42.358%0.57923%0.227SC*.Iπ-helixtrans-98-26.9-174.2-55.5174.7166.500112.7S940S940-E944 WeakPolarHBondContact O-CA 3.44Å; S940-E944 WeakPolarHBondContact O-CB 3.36Å; S940-E944 PolarHBondContact O-N 2.93Å; S940-E944 PolarHBondContact OG-OE2 3.11Å
945Q86.3Confident85.4Confident46 Ų4640.7 Ų40.722%0.21522%0.22CC..Iπ-helixtrans-108.4-47.1-175.7-50.2-172.935.600112.9R895 L898 L941 V949R895-Q945 HydrophobicContact CB-CB 4.36Å; R895-Q945 HydrophobicContact CB-CG 4.42Å; L898-Q945 HydrophobicContact CD1-CB 4.38Å; L941-Q945 HydrophobicContact CD1-CB 4.29Å; L941-Q945 HydrophobicContact CD1-CG 4.45Å; L941-Q945 WeakPolarHBondContact O-CA 3.48Å; L941-Q945 VanDerWaalsContact O-CB 3.31Å; L941-Q945 WeakPolarHBondContact O-CB 3.37Å; L941-Q945 PolarHBondContact O-N 2.9Å; L941-Q945 VanDerWaalsContact O-N 3.13Å; Q945-V949 WeakPolarHBondContact O-CG2 3.43Å
946V87.7Confident85.2Confident1 Ų143 Ų431%0.00624%0.235CC..Iπ-helixtrans-87.9-51.5-174.3-179.10000112.2L898 L941 P948 V949 V950 M962L898-V946 HydrophobicContact CD1-CG2 4.07Å; L941-V946 HydrophobicContact CG-CG2 4.41Å; L941-V946 PolarHBondContact O-N 3.13Å; V946-P948 VanDerWaalsContact C-CD 3.49Å; V946-V949 PolarHBondContact O-N 2.94Å; V946-V950 HydrophobicContact CG1-CG2 4.01Å; V946-V950 WeakPolarHBondContact O-CG2 3.43Å; V946-V950 PolarHBondContact O-N 3.28Å; V946-M962 HydrophobicContact CG1-CB 4.46Å; V946-M962 HydrophobicContact CG1-CG 4.07Å
947Y89.4Confident85.1Confident44 Ų4444.9 Ų44.917%0.17324%0.243CC..Hα-helixtrans-52.5-46.4-176.8-175.3-118.1000113.9C942 M943 V949 V950 A951 M962 F963 A1007C942-Y947 WeakPolarHBondContact O-CB 3.36Å; C942-Y947 PolarHBondContact O-N 3.09Å; M943-Y947 HydrophobicContact CE-CD1 4.32Å; Y947-V949 VanDerWaalsContact C-N 3.3Å; Y947-V949 PolarHBondContact O-N 3.1Å; Y947-V950 PolarHBondContact O-N 3.4Å; Y947-A951 HydrophobicContact CD2-CB 4.41Å; Y947-A951 HydrophobicContact CE1-CB 4.33Å; Y947-A951 HydrophobicContact CE2-CB 4.11Å; Y947-A951 WeakPolarHBondContact O-CB 3.17Å; Y947-A951 PolarHBondContact O-N 3.47Å; Y947-M962 HydrophobicContact CD2-CE 3.34Å; Y947-M962 HydrophobicContact CD2-SD 4.41Å; Y947-M962 HydrophobicContact CE2-CE 4.43Å; Y947-M962 HydrophobicContact CG-CE 3.7Å; Y947-F963 HydrophobicContact CE2-CZ 4.45Å; Y947-A1007 HydrophobicContact CD2-CB 4.15Å; Y947-A1007 HydrophobicContact CE1-CB 4.18Å; Y947-A1007 HydrophobicContact CE2-CB 3.59Å
948P87.8Confident85.2Confident40 Ų4042 Ų4226%0.2622%0.222SC..Hα-helixtrans-63.9-35.4-176.8-22.936.1000113M943 V946 V950M943-P948 WeakPolarHBondContact O-CD 3.29Å; V946-P948 VanDerWaalsContact C-CD 3.49Å; P948-V950 VanDerWaalsContact C-N 3.34Å
949V85.3Confident85.1Confident12 Ų1242.7 Ų42.77%0.07323%0.225CC..Hα-helixtrans-68.7-39.4178.6179.40000110.8A899 I902 Q945 V946 Y947 R953A899-V949 HydrophobicContact CB-CG1 4.43Å; A899-V949 HydrophobicContact CB-CG2 4Å; I902-V949 HydrophobicContact CB-CG1 4.09Å; I902-V949 HydrophobicContact CD1-CB 4.44Å; I902-V949 HydrophobicContact CD1-CG1 3.89Å; I902-V949 HydrophobicContact CG2-CG1 4.02Å; Q945-V949 WeakPolarHBondContact O-CG2 3.43Å; V946-V949 PolarHBondContact O-N 2.94Å; Y947-V949 VanDerWaalsContact C-N 3.3Å; Y947-V949 PolarHBondContact O-N 3.1Å; V949-R953 WeakPolarHBondContact O-CB 3.45Å; V949-R953 WeakPolarHBondContact O-CG 3.38Å
950V85.7Confident85.3Confident4 Ų443.5 Ų43.52%0.02423%0.232CC..Hα-helixtrans-86.2-29.2-172.6174.80000111.7I902 V946 Y947 P948 E952 R953 V958 K959I902-V950 HydrophobicContact CD1-CG2 4.11Å; V946-V950 HydrophobicContact CG1-CG2 4.01Å; V946-V950 WeakPolarHBondContact O-CG2 3.43Å; V946-V950 PolarHBondContact O-N 3.28Å; Y947-V950 PolarHBondContact O-N 3.4Å; P948-V950 VanDerWaalsContact C-N 3.34Å; V950-E952 VanDerWaalsContact C-N 3.34Å; V950-E952 PolarHBondContact O-N 3.44Å; V950-R953 PolarHBondContact O-N 3.1Å; V950-V958 HydrophobicContact CG2-CG1 3.97Å; V950-K959 HydrophobicContact CG1-CB 4.11Å; V950-K959 HydrophobicContact CG1-CD 3.96Å; V950-K959 HydrophobicContact CG1-CG 3.02Å; V950-K959 WeakPolarHBondContact O-CE 3.31Å; V950-K959 PolarHBondContact O-NZ 3.32Å
951A83.1Confident85.5Confident35 Ų3543.4 Ų43.429%0.28923%0.228SC..Hα-helixtrans-65.1-37.3177.300000112.3Y947Y947-A951 HydrophobicContact CD2-CB 4.41Å; Y947-A951 HydrophobicContact CE1-CB 4.33Å; Y947-A951 HydrophobicContact CE2-CB 4.11Å; Y947-A951 WeakPolarHBondContact O-CB 3.17Å; Y947-A951 PolarHBondContact O-N 3.47Å
952E76.9Confident85.7Confident172 Ų17243.4 Ų43.480%0.80423%0.228SC*.SBendtrans-83.9-14.4-178.7-66.6-179.9177.500113.9V950V950-E952 VanDerWaalsContact C-N 3.34Å; V950-E952 PolarHBondContact O-N 3.44Å
953R74.1Confident85.9Confident102 Ų10243.6 Ų43.639%0.38523%0.229SC..SBendtrans-124.4156.6-169.9-61.8-178.7-179.7177.4-1112.2L903 V949 V950 K959L903-R953 VanDerWaalsContact CD2-NH1 3.28Å; V949-R953 WeakPolarHBondContact O-CB 3.45Å; V949-R953 WeakPolarHBondContact O-CG 3.38Å; V950-R953 PolarHBondContact O-N 3.1Å; R953-K959 WeakPolarHBondContact O-CE 3.43Å; R953-K959 PolarHBondContact O-NZ 2.93Å
954S69.2Low86.2Confident81 Ų8143.7 Ų43.757%0.56623%0.229SC*.  trans-81120.6166.650.60000108.9E905E905-S954 VanDerWaalsContact OE1-C 3.29Å; E905-S954 WeakPolarHBondContact OE1-CB 3.5Å; E905-S954 PolarHBondContact OE1-OG 3.2Å
955S80.8Confident86.5Confident5 Ų537.8 Ų37.84%0.03520%0.201CC..  trans-162.269175.550.30000108.6D957 V958 K959S955-D957 VanDerWaalsContact C-N 3.31Å; S955-D957 PolarHBondContact O-N 3.49Å; S955-V958 PolarHBondContact O-N 2.86Å; S955-K959 WeakPolarHBondContact O-CG 3.46Å; S955-K959 PolarHBondContact O-N 2.96Å
956P82.9Confident86.9Confident51 Ų5135.7 Ų35.733%0.33119%0.192SC..Hα-helixtrans-58-41.7-16623.7-34000112.5V958 K959 A960 D1016P956-V958 PolarHBondContact O-N 3.34Å; P956-K959 WeakPolarHBondContact O-CB 3.23Å; P956-K959 PolarHBondContact O-N 3.04Å; P956-A960 WeakPolarHBondContact O-CB 3.32Å; P956-A960 PolarHBondContact O-N 2.99Å; P956-D1016 WeakPolarHBondContact CB-OD2 3.42Å
957D84.9Confident87.2Confident90 Ų9036.6 Ų36.648%0.48120%0.195SC..Hα-helixtrans-65.7-41-178.8-52.9-29.8000112.8Q914 S955 E961Q914-D957 HydrophobicContact CG-CB 4.32Å; S955-D957 VanDerWaalsContact C-N 3.31Å; S955-D957 PolarHBondContact O-N 3.49Å; D957-E961 WeakPolarHBondContact O-CG 3.48Å; D957-E961 PolarHBondContact O-N 3.36Å
958V89.4Confident87.4Confident1 Ų135.3 Ų35.31%0.00619%0.191CC..Hα-helixtrans-72.3-37.1178-178.60000110.1I902 C910 V913 Q914 L917 V950 S955 P956 M962I902-V958 HydrophobicContact CD1-CG1 4.39Å; C910-V958 HydrophobicContact CB-CG2 4.18Å; V913-V958 HydrophobicContact CB-CG1 4.45Å; V913-V958 HydrophobicContact CG1-CG1 3.72Å; Q914-V958 HydrophobicContact CG-CG2 4.05Å; L917-V958 HydrophobicContact CD1-CG1 4.21Å; V950-V958 HydrophobicContact CG2-CG1 3.97Å; S955-V958 PolarHBondContact O-N 2.86Å; P956-V958 PolarHBondContact O-N 3.34Å; V958-M962 VanDerWaalsContact O-CB 3.24Å; V958-M962 WeakPolarHBondContact O-CB 3.38Å; V958-M962 PolarHBondContact O-N 3.2Å
959K90.1Very high87.5Confident16 Ų1633.4 Ų33.47%0.0718%0.178CC..Hα-helixtrans-55.9-50.8171.7-77.6177-177.9-169.90111.4V950 R953 S955 P956 E961 M962 F963 Q1014 I1019V950-K959 HydrophobicContact CG1-CB 4.11Å; V950-K959 HydrophobicContact CG1-CD 3.96Å; V950-K959 HydrophobicContact CG1-CG 3.02Å; V950-K959 WeakPolarHBondContact O-CE 3.31Å; V950-K959 PolarHBondContact O-NZ 3.32Å; R953-K959 WeakPolarHBondContact O-CE 3.43Å; R953-K959 PolarHBondContact O-NZ 2.93Å; S955-K959 WeakPolarHBondContact O-CG 3.46Å; S955-K959 PolarHBondContact O-N 2.96Å; P956-K959 WeakPolarHBondContact O-CB 3.23Å; P956-K959 PolarHBondContact O-N 3.04Å; K959-E961 VanDerWaalsContact C-N 3.34Å; K959-E961 PolarHBondContact O-N 2.93Å; K959-M962 PolarHBondContact O-N 3.47Å; K959-F963 VanDerWaalsContact O-CD2 3.3Å; K959-F963 WeakPolarHBondContact O-CD2 3.22Å; K959-F963 PolarHBondContact O-N 3.48Å; K959-Q1014 VanDerWaalsContact NZ-OE1 3.15Å; K959-I1019 HydrophobicContact CB-CD1 3.77Å; K959-I1019 HydrophobicContact CB-CG1 4.16Å
960A91.9Very high87.8Confident21 Ų2133 Ų3317%0.17418%0.175CC..Hα-helixtrans-58.4-46.8-176.700000111.4P956 E964 I1019 Q1022P956-A960 WeakPolarHBondContact O-CB 3.32Å; P956-A960 PolarHBondContact O-N 2.99Å; A960-E964 WeakPolarHBondContact O-CB 3.4Å; A960-E964 PolarHBondContact O-N 2.64Å; A960-I1019 HydrophobicContact CB-CD1 3.73Å; A960-Q1022 PolarHBondContact O-NE2 2.8Å
961E93.1Very high88Confident35 Ų3533.9 Ų33.916%0.16418%0.18CC..Hα-helixtrans-70.5-31.7179.8-62.9-58.2161.200113.3Q914 L917 K918 Q921 D957 K959 L965Q914-E961 HydrophobicContact CB-CG 4.28Å; Q914-E961 HydrophobicContact CG-CG 4.29Å; L917-E961 HydrophobicContact CB-CB 4.17Å; L917-E961 HydrophobicContact CD1-CB 4.14Å; K918-E961 WeakPolarHBondContact CE-OE1 3.27Å; K918-E961 WeakPolarHBondContact CE-OE2 3.23Å; K918-E961 VanDerWaalsContact CG-OE2 3.31Å; K918-E961 WeakPolarHBondContact CG-OE2 3.38Å; K918-E961 IonicContact NZ-OE1 2.69Å; K918-E961 PolarHBondContact NZ-OE1 3.14Å; K918-E961 VanDerWaalsContact NZ-OE1 3.08Å; Q921-E961 PolarHBondContact NE2-O 2.92Å; Q921-E961 PolarHBondContact NE2-OE2 2.83Å; D957-E961 WeakPolarHBondContact O-CG 3.48Å; D957-E961 PolarHBondContact O-N 3.36Å; K959-E961 VanDerWaalsContact C-N 3.34Å; K959-E961 PolarHBondContact O-N 2.93Å; E961-L965 WeakPolarHBondContact O-CB 3.29Å; E961-L965 PolarHBondContact O-N 3.38Å
962M93.8Very high88.3Confident1 Ų136.3 Ų36.31%0.00519%0.185CC..Hα-helixtrans-69-46.1175.9177.7-83.8-168.900111.4L917 V946 Y947 V958 K959 L965 L966L917-M962 HydrophobicContact CD1-CB 3.99Å; V946-M962 HydrophobicContact CG1-CB 4.46Å; V946-M962 HydrophobicContact CG1-CG 4.07Å; Y947-M962 HydrophobicContact CD2-CE 3.34Å; Y947-M962 HydrophobicContact CD2-SD 4.41Å; Y947-M962 HydrophobicContact CE2-CE 4.43Å; Y947-M962 HydrophobicContact CG-CE 3.7Å; V958-M962 VanDerWaalsContact O-CB 3.24Å; V958-M962 WeakPolarHBondContact O-CB 3.38Å; V958-M962 PolarHBondContact O-N 3.2Å; K959-M962 PolarHBondContact O-N 3.47Å; M962-L965 WeakPolarHBondContact O-CB 3.4Å; M962-L965 PolarHBondContact O-N 3.14Å; M962-L966 HydrophobicContact CE-CD1 3.62Å; M962-L966 HydrophobicContact CE-CG 4.4Å; M962-L966 PolarHBondContact O-N 2.9Å; M962-L966 HydrophobicContact SD-CD1 3.73Å; M962-L966 HydrophobicContact SD-CG 4.34Å
963F94.3Very high88.7Confident4 Ų428.7 Ų28.72%0.01815%0.15CC..Hα-helixtrans-67.8-37.1176.1-80.7-65.6000112.3Y947 K959 L965 L966 Y967 A1007 F1008 I1019 N1023Y947-F963 HydrophobicContact CE2-CZ 4.45Å; K959-F963 VanDerWaalsContact O-CD2 3.3Å; K959-F963 WeakPolarHBondContact O-CD2 3.22Å; K959-F963 PolarHBondContact O-N 3.48Å; F963-L965 VanDerWaalsContact C-N 3.33Å; F963-L965 PolarHBondContact O-N 3.35Å; F963-L966 HydrophobicContact CD1-CD1 4.36Å; F963-L966 PolarHBondContact O-N 2.91Å; F963-Y967 WeakPolarHBondContact O-CB 3.5Å; F963-Y967 PolarHBondContact O-N 3.41Å; F963-A1007 HydrophobicContact CE1-CB 4.21Å; F963-F1008 HydrophobicContact CD1-CD1 4.06Å; F963-F1008 AromaticContact CD1-CE1 3.86Å; F963-F1008 HydrophobicContact CD1-CE1 3.86Å; F963-F1008 HydrophobicContact CD1-CZ 4.31Å; F963-F1008 HydrophobicContact CE1-CD1 4.36Å; F963-I1019 HydrophobicContact CD2-CG2 3.97Å; F963-I1019 HydrophobicContact CE2-CG2 3.94Å; F963-N1023 WeakPolarHBondContact CB-OD1 3.41Å; F963-N1023 WeakPolarHBondContact CD1-ND2 3.49Å; F963-N1023 WeakPolarHBondContact CD2-ND2 3.37Å; F963-N1023 WeakPolarHBondContact CE1-ND2 3.49Å; F963-N1023 WeakPolarHBondContact CE2-ND2 3.48Å; F963-N1023 WeakPolarHBondContact CG-ND2 3.29Å; F963-N1023 VanDerWaalsContact CG-OD1 3.29Å; F963-N1023 WeakPolarHBondContact CG-OD1 3.39Å
964E95.1Very high89.4Confident33 Ų3324.8 Ų24.815%0.15414%0.135CC..Hα-helixtrans-59.3-43.9170.717562.2-157.600110.9Q921 A960 Y967 Q968 Y1026Q921-E964 HydrophobicContact CG-CG 4.37Å; A960-E964 WeakPolarHBondContact O-CB 3.4Å; A960-E964 PolarHBondContact O-N 2.64Å; E964-Y967 PolarHBondContact O-N 3.28Å; E964-Q968 HydrophobicContact CG-CG 4.46Å; E964-Q968 VanDerWaalsContact O-CG 3.29Å; E964-Q968 WeakPolarHBondContact O-CG 3.47Å; E964-Q968 PolarHBondContact O-N 3.43Å; E964-Q968 VanDerWaalsContact OE1-CG 3.29Å; E964-Q968 WeakPolarHBondContact OE1-CG 3.43Å; E964-Q968 PolarHBondContact OE1-NE2 3.36Å; E964-Y1026 WeakPolarHBondContact OE2-CE1 3.42Å; E964-Y1026 PolarHBondContact OE2-OH 3.42Å
965L94.6Very high90.1Very high0 Ų030 Ų300%014%0.142CC..Hα-helixtrans-60.4-48.2175.5178.260.7000112.1L917 L920 Q921 V924 I938 E961 M962 F963 Y967 Q968 I969L917-L965 HydrophobicContact CD2-CD2 3.79Å; L920-L965 HydrophobicContact CB-CD1 3.99Å; L920-L965 HydrophobicContact CB-CD2 4.04Å; L920-L965 HydrophobicContact CD1-CD2 4.29Å; Q921-L965 HydrophobicContact CB-CD1 4.31Å; Q921-L965 HydrophobicContact CG-CB 3.79Å; Q921-L965 HydrophobicContact CG-CD1 3.83Å; Q921-L965 HydrophobicContact CG-CG 4.4Å; V924-L965 HydrophobicContact CG2-CD1 4.1Å; I938-L965 HydrophobicContact CG2-CD1 4.35Å; I938-L965 HydrophobicContact CG2-CD2 4.18Å; E961-L965 WeakPolarHBondContact O-CB 3.29Å; E961-L965 PolarHBondContact O-N 3.38Å; M962-L965 WeakPolarHBondContact O-CB 3.4Å; M962-L965 PolarHBondContact O-N 3.14Å; F963-L965 VanDerWaalsContact C-N 3.33Å; F963-L965 PolarHBondContact O-N 3.35Å; L965-Y967 VanDerWaalsContact C-N 3.31Å; L965-Y967 PolarHBondContact O-N 2.89Å; L965-Q968 PolarHBondContact O-N 2.96Å; L965-I969 HydrophobicContact CD1-CD1 4.2Å; L965-I969 HydrophobicContact CD1-CG1 4.34Å; L965-I969 HydrophobicContact CG-CD1 4.09Å; L965-I969 VanDerWaalsContact O-CG1 3.28Å; L965-I969 WeakPolarHBondContact O-CG1 3.12Å; L965-I969 PolarHBondContact O-N 2.94Å
966L93.9Very high90.3Very high1 Ų132.2 Ų32.21%0.00515%0.15CC..Hα-helixtrans-58.5-44.8175.8-73.8178.1000111.8L939 C942 M943 M962 F963 I969 L970 A1004 F1008L939-L966 HydrophobicContact CD2-CD2 4.44Å; C942-L966 HydrophobicContact CB-CD2 4.27Å; C942-L966 VanDerWaalsContact SG-CD2 3.51Å; C942-L966 VanDerWaalsContact SG-CG 3.58Å; M943-L966 HydrophobicContact CG-CD2 4.43Å; M943-L966 HydrophobicContact SD-CD1 3.92Å; M943-L966 HydrophobicContact SD-CD2 3.78Å; M962-L966 HydrophobicContact CE-CD1 3.62Å; M962-L966 HydrophobicContact CE-CG 4.4Å; M962-L966 PolarHBondContact O-N 2.9Å; M962-L966 HydrophobicContact SD-CD1 3.73Å; M962-L966 HydrophobicContact SD-CG 4.34Å; F963-L966 HydrophobicContact CD1-CD1 4.36Å; F963-L966 PolarHBondContact O-N 2.91Å; L966-I969 PolarHBondContact O-N 3.44Å; L966-L970 WeakPolarHBondContact O-CG 3.28Å; L966-L970 PolarHBondContact O-N 2.61Å; L966-A1004 HydrophobicContact CD2-CB 4.42Å; L966-F1008 HydrophobicContact CB-CE2 4.3Å; L966-F1008 HydrophobicContact CB-CZ 4.33Å
967Y94.9Very high90.4Very high20 Ų2029.9 Ų29.98%0.07814%0.135CC..Hα-helixtrans-59.4-47.7176166.1-109.5000111.5F963 E964 L965 I969 L970 H971 Y1026 S1029 L1030F963-Y967 WeakPolarHBondContact O-CB 3.5Å; F963-Y967 PolarHBondContact O-N 3.41Å; E964-Y967 PolarHBondContact O-N 3.28Å; L965-Y967 VanDerWaalsContact C-N 3.31Å; L965-Y967 PolarHBondContact O-N 2.89Å; Y967-I969 VanDerWaalsContact C-N 3.33Å; Y967-I969 PolarHBondContact O-N 2.94Å; Y967-L970 PolarHBondContact O-N 3.19Å; Y967-H971 HydrophobicContact CD2-CB 4.25Å; Y967-H971 HydrophobicContact CE1-CB 4.43Å; Y967-H971 HydrophobicContact CE2-CB 3.91Å; Y967-H971 AromaticContact CZ-CG 3.91Å; Y967-H971 WeakPolarHBondContact O-CB 3.37Å; Y967-H971 PolarHBondContact O-N 3.46Å; Y967-Y1026 AromaticContact CD1-CD1 3.62Å; Y967-Y1026 HydrophobicContact CD1-CD1 3.62Å; Y967-Y1026 HydrophobicContact CD1-CD2 4.44Å; Y967-Y1026 AromaticContact CD1-CE1 3.78Å; Y967-Y1026 HydrophobicContact CD1-CE1 3.78Å; Y967-Y1026 HydrophobicContact CD1-CG 4.02Å; Y967-Y1026 AromaticContact CD2-CD1 3.85Å; Y967-Y1026 HydrophobicContact CD2-CD1 3.85Å; Y967-Y1026 HydrophobicContact CD2-CD2 4.45Å; Y967-Y1026 AromaticContact CD2-CG 3.69Å; Y967-Y1026 HydrophobicContact CD2-CG 3.69Å; Y967-Y1026 AromaticContact CE1-CD1 3.81Å; Y967-Y1026 HydrophobicContact CE1-CD1 3.81Å; Y967-Y1026 HydrophobicContact CE1-CE1 4.02Å; Y967-Y1026 HydrophobicContact CE2-CD1 4.01Å; Y967-Y1026 HydrophobicContact CE2-CG 4.25Å; Y967-Y1026 AromaticContact CG-CD1 3.63Å; Y967-Y1026 HydrophobicContact CG-CD1 3.63Å; Y967-Y1026 AromaticContact CG-CD2 3.95Å; Y967-Y1026 HydrophobicContact CG-CD2 3.95Å; Y967-Y1026 HydrophobicContact CG-CE1 4.18Å; Y967-Y1026 HydrophobicContact CG-CE2 4.43Å; Y967-Y1026 AromaticContact CG-CG 3.55Å; Y967-Y1026 HydrophobicContact CG-CG 3.55Å; Y967-Y1026 AromaticContact CZ-CD1 3.99Å; Y967-S1029 WeakPolarHBondContact OH-CB 3.41Å; Y967-S1029 PolarHBondContact OH-OG 2.9Å; Y967-L1030 HydrophobicContact CD2-CD1 4.2Å; Y967-L1030 HydrophobicContact CD2-CD2 4.15Å; Y967-L1030 HydrophobicContact CD2-CG 3.93Å; Y967-L1030 HydrophobicContact CE2-CD2 4.02Å; Y967-L1030 HydrophobicContact CE2-CG 3.87Å
968Q92.9Very high90.3Very high17 Ų1726 Ų268%0.07911%0.113CC..Hα-helixtrans-64.1-36.3179.4-68.4-63.7-18.200112.5V924 Q925 E964 L965 Q972V924-Q968 HydrophobicContact CG1-CB 4.41Å; Q925-Q968 HydrophobicContact CG-CB 4.36Å; Q925-Q968 HydrophobicContact CG-CG 4.3Å; Q925-Q968 VanDerWaalsContact NE2-CD 3.29Å; E964-Q968 HydrophobicContact CG-CG 4.46Å; E964-Q968 VanDerWaalsContact O-CG 3.29Å; E964-Q968 WeakPolarHBondContact O-CG 3.47Å; E964-Q968 PolarHBondContact O-N 3.43Å; E964-Q968 VanDerWaalsContact OE1-CG 3.29Å; E964-Q968 WeakPolarHBondContact OE1-CG 3.43Å; E964-Q968 PolarHBondContact OE1-NE2 3.36Å; L965-Q968 PolarHBondContact O-N 2.96Å; Q968-Q972 WeakPolarHBondContact O-CB 3.48Å; Q968-Q972 WeakPolarHBondContact O-CG 3.4Å; Q968-Q972 PolarHBondContact O-N 2.94Å
969I91.2Very high89.5Confident1 Ų130.7 Ų30.71%0.00513%0.134CC..Hα-helixtrans-60.9-49.7173.6-65.3165.1000110.2V924 I938 L939 L965 L966 Y967 N973 F977V924-I969 HydrophobicContact CB-CG1 4.3Å; V924-I969 VanDerWaalsContact CG1-CA 3.5Å; V924-I969 HydrophobicContact CG1-CB 4.09Å; V924-I969 HydrophobicContact CG1-CG1 3.52Å; V924-I969 HydrophobicContact CG2-CG1 3.84Å; I938-I969 HydrophobicContact CG2-CD1 3.97Å; L939-I969 HydrophobicContact CD1-CG2 4.31Å; L939-I969 HydrophobicContact CD2-CD1 3.77Å; L939-I969 HydrophobicContact CD2-CG2 3.94Å; L939-I969 HydrophobicContact CG-CD1 4.16Å; L939-I969 HydrophobicContact CG-CG2 4.25Å; L965-I969 HydrophobicContact CD1-CD1 4.2Å; L965-I969 HydrophobicContact CD1-CG1 4.34Å; L965-I969 HydrophobicContact CG-CD1 4.09Å; L965-I969 VanDerWaalsContact O-CG1 3.28Å; L965-I969 WeakPolarHBondContact O-CG1 3.12Å; L965-I969 PolarHBondContact O-N 2.94Å; L966-I969 PolarHBondContact O-N 3.44Å; Y967-I969 VanDerWaalsContact C-N 3.33Å; Y967-I969 PolarHBondContact O-N 2.94Å; I969-N973 WeakPolarHBondContact O-CA 3.5Å; I969-N973 WeakPolarHBondContact O-CB 3.35Å; I969-N973 PolarHBondContact O-N 3.45Å; I969-F977 HydrophobicContact CG2-CE2 4.15Å; I969-F977 HydrophobicContact CG2-CZ 4.25Å
970L90.9Very high88Confident2 Ų234.8 Ų34.81%0.0116%0.16CC..Hα-helixtrans-64.9-47178.6-66.4172000111.4L966 Y967 W974 F977 F1001 A1004 M1005 F1008 L1030L966-L970 WeakPolarHBondContact O-CG 3.28Å; L966-L970 PolarHBondContact O-N 2.61Å; Y967-L970 PolarHBondContact O-N 3.19Å; L970-W974 PolarHBondContact O-N 3.39Å; L970-F977 HydrophobicContact CD2-CD2 4.19Å; L970-F977 HydrophobicContact CD2-CE2 3.76Å; L970-F977 HydrophobicContact CD2-CZ 4.09Å; L970-F1001 HydrophobicContact CD2-CD2 3.67Å; L970-F1001 HydrophobicContact CD2-CE2 3.89Å; L970-A1004 HydrophobicContact CD1-CB 4.5Å; L970-M1005 HydrophobicContact CD1-CE 4.12Å; L970-F1008 HydrophobicContact CD1-CE2 3.84Å; L970-L1030 HydrophobicContact CB-CD1 4.2Å; L970-L1030 HydrophobicContact CB-CD2 4.03Å; L970-L1030 HydrophobicContact CD1-CD1 4.06Å
971H90.3Very high86.1Confident24 Ų2436.3 Ų36.311%0.11117%0.17CC..Hα-helixtrans-69.9-42.5-172.2178.4-109.4000113Y967 L1030 K1033 H1034Y967-H971 HydrophobicContact CD2-CB 4.25Å; Y967-H971 HydrophobicContact CE1-CB 4.43Å; Y967-H971 HydrophobicContact CE2-CB 3.91Å; Y967-H971 AromaticContact CZ-CG 3.91Å; Y967-H971 WeakPolarHBondContact O-CB 3.37Å; Y967-H971 PolarHBondContact O-N 3.46Å; H971-L1030 HydrophobicContact CB-CD2 3.81Å; H971-K1033 PolarHBondContact CE1-NZ 3.42Å; H971-K1033 WeakPolarHBondContact NE2-CD 3.33Å; H971-K1033 PolarHBondContact NE2-NZ 3.42Å; H971-H1034 PolarHBondContact O-NE2 2.94Å
972Q87.9Confident84.1Confident85 Ų8540 Ų4040%0.39720%0.195SC..Hα-helixtrans-93.4-35.2-175.6-55-66.24.700112.8Q925 Q968Q925-Q972 HydrophobicContact CG-CG 4.28Å; Q968-Q972 WeakPolarHBondContact O-CB 3.48Å; Q968-Q972 WeakPolarHBondContact O-CG 3.4Å; Q968-Q972 PolarHBondContact O-N 2.94Å
973N86.6Confident81.8Confident13 Ų1346.4 Ų46.47%0.0723%0.228CC..  trans-104.934.2-176.4-66.4-77000112.9V924 L935 I969 R975 Y976V924-N973 VanDerWaalsContact CG1-ND2 3.33Å; V924-N973 WeakPolarHBondContact CG1-ND2 3.21Å; V924-N973 PolarHBondContact O-ND2 3.46Å; L935-N973 HydrophobicContact CD1-CB 4.09Å; I969-N973 WeakPolarHBondContact O-CA 3.5Å; I969-N973 WeakPolarHBondContact O-CB 3.35Å; I969-N973 PolarHBondContact O-N 3.45Å; N973-R975 PolarHBondContact O-N 2.97Å; N973-Y976 WeakPolarHBondContact O-CB 3.48Å; N973-Y976 PolarHBondContact O-N 2.84Å
974W87.4Confident79.5Confident20 Ų2049.5 Ų49.58%0.07625%0.247CC..G310 helixtrans-49.8-36.2-179.1-169.3-98.5000114L970 Y976 F977 F978 F1001 H1034 L1036 R1039L970-W974 PolarHBondContact O-N 3.39Å; W974-Y976 PolarHBondContact O-N 3.06Å; W974-F977 PolarHBondContact O-N 2.83Å; W974-F977 VanDerWaalsContact O-N 3.08Å; W974-F978 AromaticContact CD2-CD2 3.84Å; W974-F978 HydrophobicContact CD2-CD2 3.84Å; W974-F978 HydrophobicContact CD2-CE2 4.3Å; W974-F978 AromaticContact CE2-CD2 3.24Å; W974-F978 AromaticContact CE2-CE2 3.69Å; W974-F978 AromaticContact CE2-CG 4Å; W974-F978 HydrophobicContact CE3-CD2 4.43Å; W974-F978 HydrophobicContact CE3-CE2 4.48Å; W974-F978 HydrophobicContact CG-CD2 4.33Å; W974-F978 HydrophobicContact CH2-CD2 4.04Å; W974-F978 AromaticContact CH2-CE2 3.56Å; W974-F978 HydrophobicContact CH2-CE2 3.56Å; W974-F978 HydrophobicContact CH2-CZ 4.32Å; W974-F978 AromaticContact CZ2-CD2 3.37Å; W974-F978 HydrophobicContact CZ2-CD2 3.37Å; W974-F978 AromaticContact CZ2-CE2 3.3Å; W974-F978 HydrophobicContact CZ2-CE2 3.3Å; W974-F978 HydrophobicContact CZ2-CG 4.17Å; W974-F978 HydrophobicContact CZ2-CZ 4.05Å; W974-F978 HydrophobicContact CZ3-CE2 4.16Å; W974-F978 AromaticContact NE1-CD2 3.41Å; W974-F978 AromaticContact NE1-CG 3.73Å; W974-F978 PolarHBondContact O-N 3.5Å; W974-F1001 HydrophobicContact CH2-CE2 4.26Å; W974-F1001 HydrophobicContact CZ3-CE2 4.22Å; W974-H1034 HydrophobicContact CD2-CB 3.91Å; W974-H1034 AromaticContact CD2-CD2 3.84Å; W974-H1034 AromaticContact CD2-CG 3.67Å; W974-H1034 HydrophobicContact CE3-CB 4.04Å; W974-H1034 AromaticContact CE3-CD2 3.59Å; W974-H1034 AromaticContact CE3-CG 3.83Å; W974-H1034 AromaticContact CG-CE1 3.9Å; W974-H1034 AromaticContact CG-CG 4Å; W974-H1034 AromaticContact CG-ND1 3.82Å; W974-H1034 HydrophobicContact CH2-CB 4.01Å; W974-H1034 HydrophobicContact CZ2-CB 3.86Å; W974-H1034 HydrophobicContact CZ3-CB 4.1Å; W974-L1036 HydrophobicContact CH2-CD1 3.92Å; W974-R1039 HydrophobicContact CZ2-CG 4.17Å
975R84.6Confident77.3Confident189 Ų18951.9 Ų51.971%0.71327%0.268SS*.G310 helixtrans-64.6-18.2178.2-69-174.3-179.9176.22.2114.8N973 F977 F978N973-R975 PolarHBondContact O-N 2.97Å; R975-F977 VanDerWaalsContact C-N 3.27Å; R975-F978 WeakPolarHBondContact CA-O 3.48Å
976Y85.1Confident75.1Confident52 Ų5257.7 Ų57.720%0.20430%0.303CS..G310 helixtrans-68.9-29.1173.9-180-101.8000111.9L935 L939 N973 W974 N997 Q1000L935-Y976 HydrophobicContact CD1-CD2 4.36Å; L939-Y976 HydrophobicContact CD1-CD1 4.42Å; L939-Y976 HydrophobicContact CD1-CE1 3.8Å; N973-Y976 WeakPolarHBondContact O-CB 3.48Å; N973-Y976 PolarHBondContact O-N 2.84Å; W974-Y976 PolarHBondContact O-N 3.06Å; Y976-N997 HydrophobicContact CE1-CB 4.05Å; Y976-N997 WeakPolarHBondContact CE1-ND2 3.32Å; Y976-N997 VanDerWaalsContact CZ-ND2 3.26Å; Y976-N997 PolarHBondContact O-ND2 3.23Å; Y976-Q1000 PolarHBondContact OH-OE1 3.37Å
977F85.9Confident72.8Confident2 Ų265.4 Ų65.41%0.00934%0.339CS..THydrogen-bonded Turntrans-99.9-38.5178-56.1-77.6000112L939 I969 L970 W974 R975 M995 E996 N997 Q1000 F1001L939-F977 HydrophobicContact CD1-CE1 4.47Å; L939-F977 HydrophobicContact CD1-CZ 4.03Å; I969-F977 HydrophobicContact CG2-CE2 4.15Å; I969-F977 HydrophobicContact CG2-CZ 4.25Å; L970-F977 HydrophobicContact CD2-CD2 4.19Å; L970-F977 HydrophobicContact CD2-CE2 3.76Å; L970-F977 HydrophobicContact CD2-CZ 4.09Å; W974-F977 PolarHBondContact O-N 2.83Å; W974-F977 VanDerWaalsContact O-N 3.08Å; R975-F977 VanDerWaalsContact C-N 3.27Å; F977-M995 CarbonylContact O-C 3.54Å; F977-M995 VanDerWaalsContact O-CA 3.31Å; F977-M995 WeakPolarHBondContact O-CA 3.42Å; F977-M995 VanDerWaalsContact O-CG 3.3Å; F977-M995 WeakPolarHBondContact O-CG 3.47Å; F977-E996 WeakPolarHBondContact CA-O 3.28Å; F977-E996 PolarHBondContact O-N 3.42Å; F977-N997 HydrophobicContact CD1-CB 4.34Å; F977-Q1000 HydrophobicContact CE1-CB 4.36Å; F977-F1001 HydrophobicContact CB-CD2 4.36Å; F977-F1001 HydrophobicContact CD1-CB 3.78Å; F977-F1001 HydrophobicContact CD1-CD2 4.18Å; F977-F1001 HydrophobicContact CD1-CG 4.46Å; F977-F1001 HydrophobicContact CE1-CB 4.06Å; F977-F1001 HydrophobicContact CG-CD2 4.1Å
978F82.8Confident70.4Confident8 Ų871.9 Ų71.94%0.03537%0.368CS..BIsolated β-bridgetrans-124.2102.8-176-58.1-85.4000110.9W974 R975 T980 D993 M995 F1001W974-F978 AromaticContact CD2-CD2 3.84Å; W974-F978 HydrophobicContact CD2-CD2 3.84Å; W974-F978 HydrophobicContact CD2-CE2 4.3Å; W974-F978 AromaticContact CE2-CD2 3.24Å; W974-F978 AromaticContact CE2-CE2 3.69Å; W974-F978 AromaticContact CE2-CG 4Å; W974-F978 HydrophobicContact CE3-CD2 4.43Å; W974-F978 HydrophobicContact CE3-CE2 4.48Å; W974-F978 HydrophobicContact CG-CD2 4.33Å; W974-F978 HydrophobicContact CH2-CD2 4.04Å; W974-F978 AromaticContact CH2-CE2 3.56Å; W974-F978 HydrophobicContact CH2-CE2 3.56Å; W974-F978 HydrophobicContact CH2-CZ 4.32Å; W974-F978 AromaticContact CZ2-CD2 3.37Å; W974-F978 HydrophobicContact CZ2-CD2 3.37Å; W974-F978 AromaticContact CZ2-CE2 3.3Å; W974-F978 HydrophobicContact CZ2-CE2 3.3Å; W974-F978 HydrophobicContact CZ2-CG 4.17Å; W974-F978 HydrophobicContact CZ2-CZ 4.05Å; W974-F978 HydrophobicContact CZ3-CE2 4.16Å; W974-F978 AromaticContact NE1-CD2 3.41Å; W974-F978 AromaticContact NE1-CG 3.73Å; W974-F978 PolarHBondContact O-N 3.5Å; R975-F978 WeakPolarHBondContact CA-O 3.48Å; F978-T980 PolarHBondContact O-N 3.23Å; F978-D993 HydrophobicContact CD1-CB 4.36Å; F978-M995 HydrophobicContact CD1-CB 4.38Å; F978-M995 HydrophobicContact CD1-CG 4.17Å; F978-M995 HydrophobicContact CE1-CB 4.3Å; F978-M995 HydrophobicContact CE1-CE 4.43Å; F978-M995 HydrophobicContact CE1-CG 3.87Å; F978-M995 HydrophobicContact CE1-SD 3.83Å; F978-M995 HydrophobicContact CZ-CE 4.03Å; F978-M995 HydrophobicContact CZ-CG 4.32Å; F978-M995 HydrophobicContact CZ-SD 3.99Å; F978-F1001 HydrophobicContact CE2-CD2 4.15Å; F978-F1001 AromaticContact CE2-CE2 3.71Å; F978-F1001 HydrophobicContact CE2-CE2 3.71Å; F978-F1001 HydrophobicContact CE2-CZ 4.09Å; F978-F1001 HydrophobicContact CZ-CE1 4.43Å; F978-F1001 HydrophobicContact CZ-CE2 4.06Å; F978-F1001 HydrophobicContact CZ-CZ 4Å
979K72.7Confident67.8Low101 Ų10175.8 Ų75.844%0.43941%0.413SS..  trans-76.9121.4175.4-77.8-174.6176.1160.30110.7S981 E996K979-S981 PolarHBondContact O-N 2.64Å; K979-E996 WeakPolarHBondContact CD-OE1 3.13Å; K979-E996 VanDerWaalsContact CE-CD 3.43Å; K979-E996 VanDerWaalsContact CE-OE1 3.3Å; K979-E996 WeakPolarHBondContact CE-OE1 3.35Å; K979-E996 WeakPolarHBondContact CE-OE2 3.15Å; K979-E996 IonicContact NZ-OE1 3.65Å; K979-E996 PolarHBondContact NZ-OE1 2.89Å; K979-E996 IonicContact NZ-OE2 3.87Å; K979-E996 PolarHBondContact NZ-OE2 3.43Å
980T58.8Low65.6Low101 Ų10178.3 Ų78.362%0.6244%0.438SS*.  trans-83.898.9169.1-360000109.1F978F978-T980 PolarHBondContact O-N 3.23Å
981S50.6Low63.5Low54 Ų5484.1 Ų84.138%0.37847%0.474SS..  trans-90.9107.9169.7172.40000109.7K979 L983 T984 S985K979-S981 PolarHBondContact O-N 2.64Å; S981-L983 PolarHBondContact O-N 3.01Å; S981-T984 WeakPolarHBondContact CB-OG1 3.18Å; S981-T984 PolarHBondContact O-N 3.18Å; S981-T984 VanDerWaalsContact O-N 3.14Å; S981-T984 PolarHBondContact OG-N 2.92Å; S981-T984 PolarHBondContact OG-OG1 2.82Å; S981-S985 PolarHBondContact O-N 2.95Å
982V50.9Low61.6Low112 Ų11287.8 Ų87.868%0.67949%0.494SS*.Hα-helixtrans-58.8-32.9177.1-175.30000111.1S985V982-S985 PolarHBondContact O-OG 3.39Å
983L45.9Very low60.2Low135 Ų13586.4 Ų86.471%0.70749%0.49SS*.Hα-helixtrans-70.1-32.4178-77.1161000113.3S981S981-L983 PolarHBondContact O-N 3.01Å
984T46Very low59.2Low69 Ų6990.1 Ų90.142%0.42351%0.513SS..Hα-helixtrans-75.9-30.1-179.1-34.60000111.7S981 V986 K988S981-T984 WeakPolarHBondContact CB-OG1 3.18Å; S981-T984 PolarHBondContact O-N 3.18Å; S981-T984 VanDerWaalsContact O-N 3.14Å; S981-T984 PolarHBondContact OG-N 2.92Å; S981-T984 PolarHBondContact OG-OG1 2.82Å; T984-V986 PolarHBondContact O-N 2.88Å; T984-K988 PolarHBondContact O-N 3.35Å
985S48.8Very low58.7Low84 Ų8491.2 Ų91.259%0.58752%0.519SS*.Hα-helixtrans-66.8-20.8176.671.60000114.4S981 V982S981-S985 PolarHBondContact O-N 2.95Å; V982-S985 PolarHBondContact O-OG 3.39Å
986V48.2Very low58.4Low122 Ų12285.9 Ų85.974%0.73950%0.502SS*.Hα-helixtrans-96.1-24.8-178-179.50000112.5T984T984-V986 PolarHBondContact O-N 2.88Å
987Q46.5Very low58.3Low162 Ų16286.5 Ų86.576%0.75751%0.509SS*.Hα-helixtrans-101.9-17.6-174.4-72-175.3-16.800115
988K44.7Very low58.3Low157 Ų15791.4 Ų91.468%0.68353%0.532SS*.SBendtrans-134.6115.6172.9-71.3-177.1178.6179.70108.2T984 G990T984-K988 PolarHBondContact O-N 3.35Å; K988-G990 PolarHBondContact O-N 3.26Å
989G39Very low58.5Low99 Ų9995 Ų95100%1.02156%0.563SS**SBendtrans-68.956176.500000113.4
990G43.9Very low59.1Low53 Ų5393 Ų9355%0.54656%0.556SS.*SBendtrans-150.5128.817900000111.4K988 D992K988-G990 PolarHBondContact O-N 3.26Å; G990-D992 PolarHBondContact O-N 2.95Å
991V46.5Very low60.6Low125 Ų12588.3 Ų88.376%0.75853%0.526SS*.  trans-75.559.8175.5-170.40000109.9
992D50.3Low62.5Low101 Ų10187.1 Ų87.154%0.5452%0.517SS..  trans-97.485.6166.2-92.4-15.3000107.6G990 T994 K1040G990-D992 PolarHBondContact O-N 2.95Å; D992-T994 PolarHBondContact O-N 3.46Å; D992-T994 VanDerWaalsContact O-N 3.14Å; D992-K1040 VanDerWaalsContact CG-NZ 3.29Å; D992-K1040 VanDerWaalsContact OD1-CD 3.29Å; D992-K1040 WeakPolarHBondContact OD1-CD 3.31Å; D992-K1040 IonicContact OD1-NZ 3.01Å; D992-K1040 PolarHBondContact OD1-NZ 3.13Å; D992-K1040 IonicContact OD2-NZ 2.59Å; D992-K1040 PolarHBondContact OD2-NZ 3.33Å
993D58.1Low64.3Low56 Ų5683.3 Ų83.330%0.29950%0.497SS..  trans-60.6112.6167.4-83.3-10.9000108F978 M995 R1039F978-D993 HydrophobicContact CD1-CB 4.36Å; D993-M995 PolarHBondContact O-N 2.86Å; D993-R1039 IonicContact OD2-CZ 2.87Å; D993-R1039 IonicContact OD2-NH1 3.92Å; D993-R1039 PolarHBondContact OD2-NH1 2.95Å; D993-R1039 IonicContact OD2-NH2 2.58Å
994T65.8Low66.5Low90 Ų9077 Ų7755%0.55246%0.464SS*.  trans-63.7109.717250.40000108.5D992D992-T994 PolarHBondContact O-N 3.46Å; D992-T994 VanDerWaalsContact O-N 3.14Å
995M78.2Confident68.7Low44 Ų4473.7 Ų73.722%0.21744%0.444CS..BIsolated β-bridgetrans-85.4135.8-179.5-170-179.6173.900110.7F977 F978 D993 E998 F1001 L1041F977-M995 CarbonylContact O-C 3.54Å; F977-M995 VanDerWaalsContact O-CA 3.31Å; F977-M995 WeakPolarHBondContact O-CA 3.42Å; F977-M995 VanDerWaalsContact O-CG 3.3Å; F977-M995 WeakPolarHBondContact O-CG 3.47Å; F978-M995 HydrophobicContact CD1-CB 4.38Å; F978-M995 HydrophobicContact CD1-CG 4.17Å; F978-M995 HydrophobicContact CE1-CB 4.3Å; F978-M995 HydrophobicContact CE1-CE 4.43Å; F978-M995 HydrophobicContact CE1-CG 3.87Å; F978-M995 HydrophobicContact CE1-SD 3.83Å; F978-M995 HydrophobicContact CZ-CE 4.03Å; F978-M995 HydrophobicContact CZ-CG 4.32Å; F978-M995 HydrophobicContact CZ-SD 3.99Å; D993-M995 PolarHBondContact O-N 2.86Å; M995-E998 HydrophobicContact CE-CB 4.3Å; M995-E998 HydrophobicContact CE-CG 4.33Å; M995-E998 HydrophobicContact SD-CB 4.33Å; M995-E998 HydrophobicContact SD-CG 4.2Å; M995-F1001 HydrophobicContact CE-CB 3.28Å; M995-F1001 HydrophobicContact CE-CD1 3.43Å; M995-F1001 VanDerWaalsContact CE-CD1 3.43Å; M995-F1001 HydrophobicContact CE-CD2 4.09Å; M995-F1001 HydrophobicContact CE-CE1 4.23Å; M995-F1001 HydrophobicContact CE-CG 3.33Å; M995-L1041 HydrophobicContact CE-CD2 3.73Å; M995-L1041 HydrophobicContact SD-CB 4.38Å; M995-L1041 HydrophobicContact SD-CD2 3.6Å
996E76.9Confident70.7Confident77 Ų7775.4 Ų75.436%0.3644%0.443SS..SBendtrans-112.4151.3172.5-66.3-176.6175.700109.2F977 K979 E998F977-E996 WeakPolarHBondContact CA-O 3.28Å; F977-E996 PolarHBondContact O-N 3.42Å; K979-E996 WeakPolarHBondContact CD-OE1 3.13Å; K979-E996 VanDerWaalsContact CE-CD 3.43Å; K979-E996 VanDerWaalsContact CE-OE1 3.3Å; K979-E996 WeakPolarHBondContact CE-OE1 3.35Å; K979-E996 WeakPolarHBondContact CE-OE2 3.15Å; K979-E996 IonicContact NZ-OE1 3.65Å; K979-E996 PolarHBondContact NZ-OE1 2.89Å; K979-E996 IonicContact NZ-OE2 3.87Å; K979-E996 PolarHBondContact NZ-OE2 3.43Å; E996-E998 PolarHBondContact O-N 3.39Å
997N84.6Confident72.8Confident64 Ų6469.6 Ų69.634%0.34241%0.408SS..  trans59.339.4-180-49.7-57000114.7Y976 F977 A999 Q1000 F1001Y976-N997 HydrophobicContact CE1-CB 4.05Å; Y976-N997 WeakPolarHBondContact CE1-ND2 3.32Å; Y976-N997 VanDerWaalsContact CZ-ND2 3.26Å; Y976-N997 PolarHBondContact O-ND2 3.23Å; F977-N997 HydrophobicContact CD1-CB 4.34Å; N997-A999 VanDerWaalsContact C-N 3.3Å; N997-A999 PolarHBondContact O-N 3.2Å; N997-Q1000 PolarHBondContact O-N 3Å; N997-Q1000 VanDerWaalsContact O-N 3.14Å; N997-F1001 PolarHBondContact O-N 2.92Å
998E85Confident74.9Confident106 Ų10661.9 Ų61.950%0.49537%0.372SS..Hα-helixtrans-52.6-41.4-177.9-175178.5168.300114.1M995 E996 Q1000 F1001 T1002 L1041M995-E998 HydrophobicContact CE-CB 4.3Å; M995-E998 HydrophobicContact CE-CG 4.33Å; M995-E998 HydrophobicContact SD-CB 4.33Å; M995-E998 HydrophobicContact SD-CG 4.2Å; E996-E998 PolarHBondContact O-N 3.39Å; E998-Q1000 VanDerWaalsContact C-N 3.35Å; E998-Q1000 PolarHBondContact O-N 3.25Å; E998-F1001 PolarHBondContact O-N 3.33Å; E998-T1002 WeakPolarHBondContact O-CB 3.47Å; E998-T1002 PolarHBondContact O-N 2.99Å; E998-T1002 PolarHBondContact O-OG1 3.08Å; E998-L1041 HydrophobicContact CG-CD1 4.39Å; E998-L1041 HydrophobicContact CG-CD2 4.02Å; E998-L1041 VanDerWaalsContact OE1-CD1 3.29Å; E998-L1041 WeakPolarHBondContact OE1-CD1 3.38Å
999A86.4Confident77.1Confident83 Ų8355.1 Ų55.169%0.68635%0.346SS*.Hα-helixtrans-61.2-41.6-179.700000112.4N997 T1002 A1003N997-A999 VanDerWaalsContact C-N 3.3Å; N997-A999 PolarHBondContact O-N 3.2Å; A999-T1002 PolarHBondContact O-N 3.27Å; A999-A1003 WeakPolarHBondContact O-CB 3.46Å; A999-A1003 PolarHBondContact O-N 3.3Å
1000Q86.3Confident79.6Confident60 Ų6055.2 Ų55.228%0.2832%0.32SS..Hα-helixtrans-70.1-42-179.5-67.8178.1-1500111.6Y976 F977 N997 E998 A1003 A1004Y976-Q1000 PolarHBondContact OH-OE1 3.37Å; F977-Q1000 HydrophobicContact CE1-CB 4.36Å; N997-Q1000 PolarHBondContact O-N 3Å; N997-Q1000 VanDerWaalsContact O-N 3.14Å; E998-Q1000 VanDerWaalsContact C-N 3.35Å; E998-Q1000 PolarHBondContact O-N 3.25Å; Q1000-A1003 PolarHBondContact O-N 3.47Å; Q1000-A1004 PolarHBondContact O-N 2.87Å
1001F90.1Very high81.8Confident1 Ų152.8 Ų52.80%0.00430%0.295CS..Hα-helixtrans-63-43.3175-179.1-90.6000111.7L970 W974 F977 F978 M995 N997 E998 A1004 M1005 L1036 L1041L970-F1001 HydrophobicContact CD2-CD2 3.67Å; L970-F1001 HydrophobicContact CD2-CE2 3.89Å; W974-F1001 HydrophobicContact CH2-CE2 4.26Å; W974-F1001 HydrophobicContact CZ3-CE2 4.22Å; F977-F1001 HydrophobicContact CB-CD2 4.36Å; F977-F1001 HydrophobicContact CD1-CB 3.78Å; F977-F1001 HydrophobicContact CD1-CD2 4.18Å; F977-F1001 HydrophobicContact CD1-CG 4.46Å; F977-F1001 HydrophobicContact CE1-CB 4.06Å; F977-F1001 HydrophobicContact CG-CD2 4.1Å; F978-F1001 HydrophobicContact CE2-CD2 4.15Å; F978-F1001 AromaticContact CE2-CE2 3.71Å; F978-F1001 HydrophobicContact CE2-CE2 3.71Å; F978-F1001 HydrophobicContact CE2-CZ 4.09Å; F978-F1001 HydrophobicContact CZ-CE1 4.43Å; F978-F1001 HydrophobicContact CZ-CE2 4.06Å; F978-F1001 HydrophobicContact CZ-CZ 4Å; M995-F1001 HydrophobicContact CE-CB 3.28Å; M995-F1001 HydrophobicContact CE-CD1 3.43Å; M995-F1001 VanDerWaalsContact CE-CD1 3.43Å; M995-F1001 HydrophobicContact CE-CD2 4.09Å; M995-F1001 HydrophobicContact CE-CE1 4.23Å; M995-F1001 HydrophobicContact CE-CG 3.33Å; N997-F1001 PolarHBondContact O-N 2.92Å; E998-F1001 PolarHBondContact O-N 3.33Å; F1001-A1004 PolarHBondContact O-N 2.57Å; F1001-M1005 HydrophobicContact CD1-CG 4.13Å; F1001-M1005 HydrophobicContact CE1-CE 4.15Å; F1001-M1005 HydrophobicContact CE1-CG 3.75Å; F1001-M1005 HydrophobicContact CE2-CE 3.78Å; F1001-M1005 HydrophobicContact CZ-CE 3.46Å; F1001-M1005 VanDerWaalsContact CZ-CE 3.46Å; F1001-M1005 HydrophobicContact CZ-CG 4.03Å; F1001-M1005 WeakPolarHBondContact O-CG 3.41Å; F1001-M1005 PolarHBondContact O-N 3.29Å; F1001-L1036 HydrophobicContact CZ-CD1 3.83Å; F1001-L1041 HydrophobicContact CD1-CD2 3.8Å; F1001-L1041 HydrophobicContact CE1-CD2 4.09Å
1002T90.1Very high84Confident30 Ų3046.9 Ų46.918%0.18426%0.259CS..Hα-helixtrans-62.3-44.4178.2-60.90000111.2E998 A999 A1004 M1005 Q1006 M1046E998-T1002 WeakPolarHBondContact O-CB 3.47Å; E998-T1002 PolarHBondContact O-N 2.99Å; E998-T1002 PolarHBondContact O-OG1 3.08Å; A999-T1002 PolarHBondContact O-N 3.27Å; T1002-A1004 PolarHBondContact O-N 3.04Å; T1002-M1005 PolarHBondContact O-N 3.11Å; T1002-Q1006 HydrophobicContact CG2-CG 4.43Å; T1002-Q1006 WeakPolarHBondContact O-CB 3.5Å; T1002-Q1006 VanDerWaalsContact O-CG 3.25Å; T1002-Q1006 WeakPolarHBondContact O-CG 3.2Å; T1002-Q1006 PolarHBondContact O-N 3.28Å; T1002-M1046 HydrophobicContact CG2-CE 3.82Å
1003A90Very high85.8Confident31 Ų3147.2 Ų47.226%0.25626%0.26SS..Hα-helixtrans-62-42.6176.700000112M943 A999 Q1000 Q1006 A1007M943-A1003 VanDerWaalsContact CE-C 3.47Å; M943-A1003 HydrophobicContact CE-CB 3.79Å; M943-A1003 VanDerWaalsContact CE-O 3.29Å; M943-A1003 WeakPolarHBondContact CE-O 3.45Å; A999-A1003 WeakPolarHBondContact O-CB 3.46Å; A999-A1003 PolarHBondContact O-N 3.3Å; Q1000-A1003 PolarHBondContact O-N 3.47Å; A1003-Q1006 PolarHBondContact O-N 3.43Å; A1003-A1007 PolarHBondContact O-N 2.71Å
1004A90.9Very high87.1Confident2 Ų246.4 Ų46.42%0.01726%0.255CS..Hα-helixtrans-62.9-44.9176.200000112L966 L970 Q1000 F1001 T1002 Q1006 A1007 F1008L966-A1004 HydrophobicContact CD2-CB 4.42Å; L970-A1004 HydrophobicContact CD1-CB 4.5Å; Q1000-A1004 PolarHBondContact O-N 2.87Å; F1001-A1004 PolarHBondContact O-N 2.57Å; T1002-A1004 PolarHBondContact O-N 3.04Å; A1004-Q1006 VanDerWaalsContact C-N 3.35Å; A1004-Q1006 PolarHBondContact O-N 2.99Å; A1004-A1007 WeakPolarHBondContact O-CB 3.06Å; A1004-A1007 PolarHBondContact O-N 3.21Å; A1004-F1008 VanDerWaalsContact O-CD2 3.25Å; A1004-F1008 WeakPolarHBondContact O-CD2 3.42Å; A1004-F1008 PolarHBondContact O-N 2.84Å; A1004-F1008 VanDerWaalsContact O-N 3.11Å
1005M92.2Very high88.1Confident1 Ų148.6 Ų48.61%0.00527%0.268CS..Hα-helixtrans-65.3-37.4176.3-73.1-62.9174.900112.5L970 F1001 T1002 A1007 F1008 G1009 L1027 L1030 L1036 F1042 M1046 F1050L970-M1005 HydrophobicContact CD1-CE 4.12Å; F1001-M1005 HydrophobicContact CD1-CG 4.13Å; F1001-M1005 HydrophobicContact CE1-CE 4.15Å; F1001-M1005 HydrophobicContact CE1-CG 3.75Å; F1001-M1005 HydrophobicContact CE2-CE 3.78Å; F1001-M1005 HydrophobicContact CZ-CE 3.46Å; F1001-M1005 VanDerWaalsContact CZ-CE 3.46Å; F1001-M1005 HydrophobicContact CZ-CG 4.03Å; F1001-M1005 WeakPolarHBondContact O-CG 3.41Å; F1001-M1005 PolarHBondContact O-N 3.29Å; T1002-M1005 PolarHBondContact O-N 3.11Å; M1005-A1007 VanDerWaalsContact C-N 3.32Å; M1005-A1007 PolarHBondContact O-N 3.02Å; M1005-F1008 PolarHBondContact O-N 2.83Å; M1005-F1008 HydrophobicContact SD-CD2 4.49Å; M1005-G1009 PolarHBondContact O-N 2.91Å; M1005-L1027 HydrophobicContact SD-CD2 4.16Å; M1005-L1030 HydrophobicContact CE-CD1 4.45Å; M1005-L1036 HydrophobicContact CE-CD1 3.48Å; M1005-L1036 VanDerWaalsContact CE-CD1 3.48Å; M1005-L1036 HydrophobicContact CE-CD2 3.61Å; M1005-L1036 HydrophobicContact CE-CG 4.19Å; M1005-L1036 HydrophobicContact SD-CD2 4.37Å; M1005-F1042 HydrophobicContact SD-CD2 4.36Å; M1005-F1042 HydrophobicContact SD-CE2 4.02Å; M1005-M1046 HydrophobicContact CB-CE 3.92Å; M1005-M1046 HydrophobicContact CB-SD 3.54Å; M1005-M1046 VanDerWaalsContact CB-SD 3.54Å; M1005-M1046 HydrophobicContact CG-CE 4.4Å; M1005-M1046 HydrophobicContact CG-SD 3.87Å; M1005-F1050 WeakPolarHBondContact O-CZ 3.49Å
1006Q91.5Very high88.5Confident119 Ų11948.3 Ų48.356%0.55627%0.268SS*.Hα-helixtrans-62.3-39.8173-75.4173-9.200111.5T1002 A1003 A1004 G1009 Q1010T1002-Q1006 HydrophobicContact CG2-CG 4.43Å; T1002-Q1006 WeakPolarHBondContact O-CB 3.5Å; T1002-Q1006 VanDerWaalsContact O-CG 3.25Å; T1002-Q1006 WeakPolarHBondContact O-CG 3.2Å; T1002-Q1006 PolarHBondContact O-N 3.28Å; A1003-Q1006 PolarHBondContact O-N 3.43Å; A1004-Q1006 VanDerWaalsContact C-N 3.35Å; A1004-Q1006 PolarHBondContact O-N 2.99Å; Q1006-G1009 PolarHBondContact O-N 3.13Å; Q1006-Q1010 WeakPolarHBondContact O-CB 3.4Å; Q1006-Q1010 VanDerWaalsContact O-CG 3.29Å; Q1006-Q1010 WeakPolarHBondContact O-CG 3.26Å; Q1006-Q1010 PolarHBondContact O-N 3.19Å
1007A91.4Very high89.1Confident1 Ų147 Ų471%0.00826%0.263CS..Hα-helixtrans-61.2-43.6174.600000112.3M943 Y947 F963 A1003 A1004 M1005 G1009 Q1010 S1011M943-A1007 HydrophobicContact CE-CB 4.16Å; Y947-A1007 HydrophobicContact CD2-CB 4.15Å; Y947-A1007 HydrophobicContact CE1-CB 4.18Å; Y947-A1007 HydrophobicContact CE2-CB 3.59Å; F963-A1007 HydrophobicContact CE1-CB 4.21Å; A1003-A1007 PolarHBondContact O-N 2.71Å; A1004-A1007 WeakPolarHBondContact O-CB 3.06Å; A1004-A1007 PolarHBondContact O-N 3.21Å; M1005-A1007 VanDerWaalsContact C-N 3.32Å; M1005-A1007 PolarHBondContact O-N 3.02Å; A1007-G1009 PolarHBondContact O-N 2.72Å; A1007-Q1010 PolarHBondContact O-N 2.64Å; A1007-S1011 PolarHBondContact O-N 2.85Å
1008F92.1Very high89.4Confident0 Ų051.1 Ų51.10%028%0.279CS..Hα-helixtrans-58.4-47.1171.7-79.4-69.6000111.8F963 L966 L970 A1004 M1005 Q1010 S1011 N1023 Y1026 L1027 F1050F963-F1008 HydrophobicContact CD1-CD1 4.06Å; F963-F1008 AromaticContact CD1-CE1 3.86Å; F963-F1008 HydrophobicContact CD1-CE1 3.86Å; F963-F1008 HydrophobicContact CD1-CZ 4.31Å; F963-F1008 HydrophobicContact CE1-CD1 4.36Å; L966-F1008 HydrophobicContact CB-CE2 4.3Å; L966-F1008 HydrophobicContact CB-CZ 4.33Å; L970-F1008 HydrophobicContact CD1-CE2 3.84Å; A1004-F1008 VanDerWaalsContact O-CD2 3.25Å; A1004-F1008 WeakPolarHBondContact O-CD2 3.42Å; A1004-F1008 PolarHBondContact O-N 2.84Å; A1004-F1008 VanDerWaalsContact O-N 3.11Å; M1005-F1008 PolarHBondContact O-N 2.83Å; M1005-F1008 HydrophobicContact SD-CD2 4.49Å; F1008-Q1010 PolarHBondContact O-N 3.29Å; F1008-S1011 WeakPolarHBondContact O-CB 3.25Å; F1008-S1011 PolarHBondContact O-N 3.36Å; F1008-S1011 PolarHBondContact O-OG 2.92Å; F1008-N1023 HydrophobicContact CD1-CB 3.9Å; F1008-N1023 HydrophobicContact CE1-CB 4.23Å; F1008-Y1026 HydrophobicContact CE1-CD2 4.16Å; F1008-L1027 HydrophobicContact CB-CD2 4.49Å; F1008-L1027 HydrophobicContact CG-CD2 4.45Å; F1008-F1050 HydrophobicContact CB-CE1 4.47Å; F1008-F1050 HydrophobicContact CB-CZ 4.45Å
1009G90.9Very high89.7Confident14 Ų1446.3 Ų46.314%0.14426%0.257CS..Hα-helixtrans-61.8-41178.500000113.6M1005 Q1006 A1007 S1011 F1012M1005-G1009 PolarHBondContact O-N 2.91Å; Q1006-G1009 PolarHBondContact O-N 3.13Å; A1007-G1009 PolarHBondContact O-N 2.72Å; G1009-S1011 VanDerWaalsContact C-N 3.3Å; G1009-S1011 PolarHBondContact O-N 2.97Å; G1009-F1012 PolarHBondContact O-N 3.28Å
1010Q89.7Confident90Very high102 Ų10242.3 Ų42.348%0.47722%0.224SC..Hα-helixtrans-67-31.2176.8-70.4-63.3-3200112.4Q1006 A1007 F1008 F1012 L1013Q1006-Q1010 WeakPolarHBondContact O-CB 3.4Å; Q1006-Q1010 VanDerWaalsContact O-CG 3.29Å; Q1006-Q1010 WeakPolarHBondContact O-CG 3.26Å; Q1006-Q1010 PolarHBondContact O-N 3.19Å; A1007-Q1010 PolarHBondContact O-N 2.64Å; F1008-Q1010 PolarHBondContact O-N 3.29Å; Q1010-F1012 PolarHBondContact O-N 3.44Å; Q1010-L1013 WeakPolarHBondContact O-CB 3.45Å; Q1010-L1013 PolarHBondContact O-N 2.94Å
1011S91.4Very high90.4Very high2 Ų244.7 Ų44.71%0.01423%0.234CC..Hα-helixtrans-60.7-31177.279.20000112.8A1007 F1008 G1009 L1013 Q1014 N1023A1007-S1011 PolarHBondContact O-N 2.85Å; F1008-S1011 WeakPolarHBondContact O-CB 3.25Å; F1008-S1011 PolarHBondContact O-N 3.36Å; F1008-S1011 PolarHBondContact O-OG 2.92Å; G1009-S1011 VanDerWaalsContact C-N 3.3Å; G1009-S1011 PolarHBondContact O-N 2.97Å; S1011-L1013 PolarHBondContact O-N 2.89Å; S1011-Q1014 WeakPolarHBondContact O-CB 3.45Å; S1011-Q1014 PolarHBondContact O-N 3.48Å; S1011-Q1014 VanDerWaalsContact O-N 3.13Å; S1011-N1023 WeakPolarHBondContact CB-ND2 3.46Å; S1011-N1023 PolarHBondContact OG-ND2 3.43Å
1012F91.4Very high90.7Very high1 Ų146.6 Ų46.60%0.00424%0.242CC..THydrogen-bonded Turntrans-73.4-7.1177.3-59.5-43.1000114.3G1009 Q1010 F1020 N1023 L1024 L1027 F1050 V1053 L1054 V1057G1009-F1012 PolarHBondContact O-N 3.28Å; Q1010-F1012 PolarHBondContact O-N 3.44Å; F1012-F1020 HydrophobicContact CB-CD2 4.21Å; F1012-F1020 HydrophobicContact CB-CE2 3.68Å; F1012-F1020 HydrophobicContact CB-CZ 4.29Å; F1012-F1020 HydrophobicContact CD1-CD1 4.14Å; F1012-F1020 AromaticContact CD1-CD2 3.73Å; F1012-F1020 HydrophobicContact CD1-CD2 3.73Å; F1012-F1020 HydrophobicContact CD1-CE1 4.06Å; F1012-F1020 AromaticContact CD1-CE2 3.62Å; F1012-F1020 HydrophobicContact CD1-CE2 3.62Å; F1012-F1020 AromaticContact CD1-CG 3.98Å; F1012-F1020 HydrophobicContact CD1-CG 3.98Å; F1012-F1020 AromaticContact CD1-CZ 3.79Å; F1012-F1020 HydrophobicContact CD1-CZ 3.79Å; F1012-F1020 HydrophobicContact CE1-CD1 4.42Å; F1012-F1020 HydrophobicContact CE1-CE1 4.41Å; F1012-F1020 HydrophobicContact CG-CD2 4.45Å; F1012-F1020 HydrophobicContact CG-CE2 4.04Å; F1012-F1020 HydrophobicContact CG-CZ 4.29Å; F1012-F1020 WeakPolarHBondContact O-CE2 3.27Å; F1012-N1023 HydrophobicContact CE1-CB 4.05Å; F1012-N1023 HydrophobicContact CZ-CB 4.34Å; F1012-L1024 HydrophobicContact CE1-CB 3.99Å; F1012-L1024 HydrophobicContact CE1-CD1 4.37Å; F1012-L1024 HydrophobicContact CZ-CB 4.24Å; F1012-L1024 HydrophobicContact CZ-CD1 4.07Å; F1012-L1027 HydrophobicContact CE2-CD1 3.49Å; F1012-L1027 VanDerWaalsContact CE2-CD1 3.49Å; F1012-L1027 HydrophobicContact CZ-CD1 3.58Å; F1012-F1050 HydrophobicContact CD2-CD1 4.16Å; F1012-F1050 HydrophobicContact CD2-CE1 4.17Å; F1012-F1050 AromaticContact CE2-CD1 3.85Å; F1012-F1050 HydrophobicContact CE2-CD1 3.85Å; F1012-F1050 AromaticContact CE2-CE1 3.75Å; F1012-F1050 HydrophobicContact CE2-CE1 3.75Å; F1012-V1053 HydrophobicContact CB-CG1 3.69Å; F1012-L1054 HydrophobicContact CD2-CD2 4.42Å; F1012-L1054 HydrophobicContact CG-CD2 4.43Å; F1012-V1057 WeakPolarHBondContact O-CG2 3.43Å
1013L88.5Confident90.9Very high107 Ų10745.1 Ų45.156%0.5623%0.233SC*.THydrogen-bonded Turntrans-94.5-8.8172.6-58.7176.7000112.4Q1010 S1011 V1053Q1010-L1013 WeakPolarHBondContact O-CB 3.45Å; Q1010-L1013 PolarHBondContact O-N 2.94Å; S1011-L1013 PolarHBondContact O-N 2.89Å; L1013-V1053 HydrophobicContact CD2-CG1 3.78Å; L1013-V1053 HydrophobicContact CD2-CG2 4.24Å; L1013-V1053 HydrophobicContact CG-CG1 4.39Å
1014Q86.4Confident91.1Very high39 Ų3943.9 Ų43.918%0.18222%0.223CC..SBendtrans-82.7162.1178.2-57.6-170.7-1.700111K959 S1011 H1063K959-Q1014 VanDerWaalsContact NZ-OE1 3.15Å; S1011-Q1014 WeakPolarHBondContact O-CB 3.45Å; S1011-Q1014 PolarHBondContact O-N 3.48Å; S1011-Q1014 VanDerWaalsContact O-N 3.13Å; Q1014-H1063 PolarHBondContact O-CE1 2.83Å; Q1014-H1063 PolarHBondContact O-NE2 3Å
1015T85.4Confident91.4Very high136 Ų13647.3 Ų47.383%0.83425%0.246SC*.SBendtrans-87.9-4.7-176.954.80000114.4I1017T1015-I1017 PolarHBondContact O-N 2.99Å
1016D87.8Confident91.5Very high39 Ų3948.9 Ų48.921%0.20925%0.252CS..  trans-82.5108.3-175.5-172.4-31.4000111.1P956 H1018 I1019 F1020P956-D1016 WeakPolarHBondContact CB-OD2 3.42Å; D1016-H1018 VanDerWaalsContact C-N 3.34Å; D1016-H1018 PolarHBondContact O-N 3.49Å; D1016-H1018 PolarHBondContact OD1-N 2.93Å; D1016-I1019 HydrophobicContact CB-CB 4.27Å; D1016-I1019 HydrophobicContact CB-CG1 4.27Å; D1016-I1019 PolarHBondContact OD1-N 3.31Å; D1016-F1020 WeakPolarHBondContact O-CB 3.45Å; D1016-F1020 PolarHBondContact O-N 3.1Å
1017I89.9Confident91.7Very high50 Ų5043.2 Ų43.226%0.25623%0.226SC..Hα-helixtrans-65.3-33.2-177.6-168.7170.1000113.4T1015 K1021 L1065 L1066T1015-I1017 PolarHBondContact O-N 2.99Å; I1017-K1021 WeakPolarHBondContact O-CB 3.22Å; I1017-K1021 PolarHBondContact O-N 3.44Å; I1017-L1065 HydrophobicContact CD1-CB 3.81Å; I1017-L1065 HydrophobicContact CD1-CD1 3.76Å; I1017-L1065 HydrophobicContact CD1-CG 4.36Å; I1017-L1066 HydrophobicContact CD1-CD1 4.47Å; I1017-L1066 HydrophobicContact CD1-CG 4.24Å; I1017-L1066 HydrophobicContact CG1-CD1 3.77Å; I1017-L1066 HydrophobicContact CG1-CG 4.07Å
1018H90.3Very high91.9Very high150 Ų15044.8 Ų44.869%0.69423%0.233SC*.Hα-helixtrans-71.3-46.5-177-69-73.1000110.2D1016 F1020 K1021 Q1022D1016-H1018 VanDerWaalsContact C-N 3.34Å; D1016-H1018 PolarHBondContact O-N 3.49Å; D1016-H1018 PolarHBondContact OD1-N 2.93Å; H1018-F1020 VanDerWaalsContact C-N 3.34Å; H1018-K1021 PolarHBondContact O-N 3.2Å; H1018-Q1022 VanDerWaalsContact O-CB 3.28Å; H1018-Q1022 WeakPolarHBondContact O-CB 3.47Å; H1018-Q1022 PolarHBondContact O-N 2.89Å
1019I91.1Very high92Very high4 Ų446.7 Ų46.72%0.02125%0.246CC..Hα-helixtrans-64.1-40.9175.2-60.8-59.3000110.9K959 A960 F963 D1016 K1021 Q1022 N1023K959-I1019 HydrophobicContact CB-CD1 3.77Å; K959-I1019 HydrophobicContact CB-CG1 4.16Å; A960-I1019 HydrophobicContact CB-CD1 3.73Å; F963-I1019 HydrophobicContact CD2-CG2 3.97Å; F963-I1019 HydrophobicContact CE2-CG2 3.94Å; D1016-I1019 HydrophobicContact CB-CB 4.27Å; D1016-I1019 HydrophobicContact CB-CG1 4.27Å; D1016-I1019 PolarHBondContact OD1-N 3.31Å; I1019-K1021 PolarHBondContact O-N 3.31Å; I1019-Q1022 PolarHBondContact O-N 3.3Å; I1019-N1023 VanDerWaalsContact O-CB 3.32Å; I1019-N1023 WeakPolarHBondContact O-CB 3.25Å; I1019-N1023 PolarHBondContact O-N 3.05Å
1020F93.6Very high92.1Very high0 Ų046 Ų460%024%0.239CC..Hα-helixtrans-56.8-52.1174.9-169-69.7000111F1012 D1016 H1018 N1023 L1024 L1054 V1057 H1063 L1066 M1070F1012-F1020 HydrophobicContact CB-CD2 4.21Å; F1012-F1020 HydrophobicContact CB-CE2 3.68Å; F1012-F1020 HydrophobicContact CB-CZ 4.29Å; F1012-F1020 HydrophobicContact CD1-CD1 4.14Å; F1012-F1020 AromaticContact CD1-CD2 3.73Å; F1012-F1020 HydrophobicContact CD1-CD2 3.73Å; F1012-F1020 HydrophobicContact CD1-CE1 4.06Å; F1012-F1020 AromaticContact CD1-CE2 3.62Å; F1012-F1020 HydrophobicContact CD1-CE2 3.62Å; F1012-F1020 AromaticContact CD1-CG 3.98Å; F1012-F1020 HydrophobicContact CD1-CG 3.98Å; F1012-F1020 AromaticContact CD1-CZ 3.79Å; F1012-F1020 HydrophobicContact CD1-CZ 3.79Å; F1012-F1020 HydrophobicContact CE1-CD1 4.42Å; F1012-F1020 HydrophobicContact CE1-CE1 4.41Å; F1012-F1020 HydrophobicContact CG-CD2 4.45Å; F1012-F1020 HydrophobicContact CG-CE2 4.04Å; F1012-F1020 HydrophobicContact CG-CZ 4.29Å; F1012-F1020 WeakPolarHBondContact O-CE2 3.27Å; D1016-F1020 WeakPolarHBondContact O-CB 3.45Å; D1016-F1020 PolarHBondContact O-N 3.1Å; H1018-F1020 VanDerWaalsContact C-N 3.34Å; F1020-N1023 PolarHBondContact O-N 2.9Å; F1020-L1024 HydrophobicContact CE1-CD2 4.22Å; F1020-L1024 WeakPolarHBondContact O-CB 3.37Å; F1020-L1024 PolarHBondContact O-N 2.78Å; F1020-L1054 HydrophobicContact CE1-CD2 4.45Å; F1020-L1054 HydrophobicContact CZ-CD2 3.88Å; F1020-V1057 HydrophobicContact CE2-CG1 4.1Å; F1020-V1057 HydrophobicContact CE2-CG2 4.24Å; F1020-V1057 HydrophobicContact CZ-CG1 4.12Å; F1020-H1063 AromaticContact CD2-CE1 3.82Å; F1020-H1063 AromaticContact CD2-ND1 3.86Å; F1020-H1063 AromaticContact CE2-ND1 3.96Å; F1020-L1066 HydrophobicContact CB-CD1 4.3Å; F1020-L1066 HydrophobicContact CD1-CD1 3.47Å; F1020-L1066 VanDerWaalsContact CD1-CD1 3.47Å; F1020-L1066 HydrophobicContact CE1-CD1 4.18Å; F1020-L1066 HydrophobicContact CG-CD1 4.18Å; F1020-M1070 HydrophobicContact CE1-CG 3.74Å; F1020-M1070 HydrophobicContact CE1-SD 3.79Å; F1020-M1070 HydrophobicContact CZ-CG 4.01Å; F1020-M1070 HydrophobicContact CZ-SD 3.56Å; F1020-M1070 VanDerWaalsContact CZ-SD 3.56Å
1021K94.4Very high92.3Very high110 Ų11041.8 Ų41.848%0.47822%0.22SC..Hα-helixtrans-61.3-46.6-179.7-173.6175.8-173160.30111.9I1017 H1018 I1019 L1024 S1025 L1066 E1069I1017-K1021 WeakPolarHBondContact O-CB 3.22Å; I1017-K1021 PolarHBondContact O-N 3.44Å; H1018-K1021 PolarHBondContact O-N 3.2Å; I1019-K1021 PolarHBondContact O-N 3.31Å; K1021-L1024 PolarHBondContact O-N 3.44Å; K1021-S1025 PolarHBondContact O-N 2.84Å; K1021-L1066 HydrophobicContact CB-CD1 3.87Å; K1021-L1066 HydrophobicContact CB-CD2 4.07Å; K1021-L1066 HydrophobicContact CD-CD2 3.85Å; K1021-L1066 HydrophobicContact CG-CD2 3.96Å; K1021-E1069 IonicContact NZ-OE1 3.24Å
1022Q94.9Very high92.3Very high40 Ų4046 Ų4619%0.18725%0.25CC..Hα-helixtrans-57.2-52.1178.9-177.7-171.59.300111.1A960 H1018 I1019 L1024 S1025 Y1026A960-Q1022 PolarHBondContact O-NE2 2.8Å; H1018-Q1022 VanDerWaalsContact O-CB 3.28Å; H1018-Q1022 WeakPolarHBondContact O-CB 3.47Å; H1018-Q1022 PolarHBondContact O-N 2.89Å; I1019-Q1022 PolarHBondContact O-N 3.3Å; Q1022-L1024 PolarHBondContact O-N 2.86Å; Q1022-S1025 WeakPolarHBondContact O-CB 3.37Å; Q1022-S1025 PolarHBondContact O-N 2.95Å; Q1022-Y1026 HydrophobicContact CG-CD2 4.19Å; Q1022-Y1026 HydrophobicContact CG-CE1 4.35Å; Q1022-Y1026 HydrophobicContact CG-CE2 3.38Å; Q1022-Y1026 VanDerWaalsContact CG-CZ 3.42Å; Q1022-Y1026 VanDerWaalsContact CG-OH 3.3Å; Q1022-Y1026 WeakPolarHBondContact CG-OH 3.31Å; Q1022-Y1026 PolarHBondContact NE2-OH 3.31Å; Q1022-Y1026 PolarHBondContact O-N 2.91Å
1023N94.9Very high92.3Very high0 Ų051.3 Ų51.30%027%0.273CS..Hα-helixtrans-68.2-34.9-177.5-76.4-9.6000113.4F963 F1008 S1011 F1012 I1019 F1020 Y1026 L1027F963-N1023 WeakPolarHBondContact CB-OD1 3.41Å; F963-N1023 WeakPolarHBondContact CD1-ND2 3.49Å; F963-N1023 WeakPolarHBondContact CD2-ND2 3.37Å; F963-N1023 WeakPolarHBondContact CE1-ND2 3.49Å; F963-N1023 WeakPolarHBondContact CE2-ND2 3.48Å; F963-N1023 WeakPolarHBondContact CG-ND2 3.29Å; F963-N1023 VanDerWaalsContact CG-OD1 3.29Å; F963-N1023 WeakPolarHBondContact CG-OD1 3.39Å; F1008-N1023 HydrophobicContact CD1-CB 3.9Å; F1008-N1023 HydrophobicContact CE1-CB 4.23Å; S1011-N1023 WeakPolarHBondContact CB-ND2 3.46Å; S1011-N1023 PolarHBondContact OG-ND2 3.43Å; F1012-N1023 HydrophobicContact CE1-CB 4.05Å; F1012-N1023 HydrophobicContact CZ-CB 4.34Å; I1019-N1023 VanDerWaalsContact O-CB 3.32Å; I1019-N1023 WeakPolarHBondContact O-CB 3.25Å; I1019-N1023 PolarHBondContact O-N 3.05Å; F1020-N1023 PolarHBondContact O-N 2.9Å; N1023-Y1026 PolarHBondContact O-N 3.43Å; N1023-L1027 PolarHBondContact O-N 3Å; N1023-L1027 VanDerWaalsContact O-N 3.08Å
1024L94.9Very high92.3Very high5 Ų547.7 Ų47.73%0.02625%0.253CS..Hα-helixtrans-63.6-44.9173.1-170.563.8000110.9F1012 F1020 K1021 Q1022 Y1026 L1027 E1028 L1054 E1069 M1070 A1073F1012-L1024 HydrophobicContact CE1-CB 3.99Å; F1012-L1024 HydrophobicContact CE1-CD1 4.37Å; F1012-L1024 HydrophobicContact CZ-CB 4.24Å; F1012-L1024 HydrophobicContact CZ-CD1 4.07Å; F1020-L1024 HydrophobicContact CE1-CD2 4.22Å; F1020-L1024 WeakPolarHBondContact O-CB 3.37Å; F1020-L1024 PolarHBondContact O-N 2.78Å; K1021-L1024 PolarHBondContact O-N 3.44Å; Q1022-L1024 PolarHBondContact O-N 2.86Å; L1024-Y1026 VanDerWaalsContact C-N 3.28Å; L1024-Y1026 PolarHBondContact O-N 3.16Å; L1024-L1027 PolarHBondContact O-N 2.99Å; L1024-E1028 PolarHBondContact O-N 3.46Å; L1024-E1028 VanDerWaalsContact O-N 3.09Å; L1024-L1054 HydrophobicContact CD1-CD1 4.35Å; L1024-L1054 HydrophobicContact CD1-CD2 4.32Å; L1024-E1069 HydrophobicContact CD2-CB 3.91Å; L1024-M1070 HydrophobicContact CD2-CG 4.12Å; L1024-A1073 HydrophobicContact CD1-CB 3.67Å; L1024-A1073 HydrophobicContact CG-CB 4.37Å
1025S95.9Very high92.5Very high74 Ų7451.4 Ų51.452%0.51727%0.268SS..Hα-helixtrans-60.5-36.6175.1-173.60000112.5K1021 Q1022 E1028 S1029K1021-S1025 PolarHBondContact O-N 2.84Å; Q1022-S1025 WeakPolarHBondContact O-CB 3.37Å; Q1022-S1025 PolarHBondContact O-N 2.95Å; S1025-E1028 PolarHBondContact O-N 3.4Å; S1025-S1029 WeakPolarHBondContact O-CB 3.31Å; S1025-S1029 PolarHBondContact O-N 3.39Å
1026Y95.9Very high92.8Very high33 Ų3344.9 Ų44.913%0.12923%0.229CC..Hα-helixtrans-67-41.9175.9-67.5-23.2000113.1E964 Y967 F1008 Q1022 N1023 L1024 E1028 S1029 L1030E964-Y1026 WeakPolarHBondContact OE2-CE1 3.42Å; E964-Y1026 PolarHBondContact OE2-OH 3.42Å; Y967-Y1026 AromaticContact CD1-CD1 3.62Å; Y967-Y1026 HydrophobicContact CD1-CD1 3.62Å; Y967-Y1026 HydrophobicContact CD1-CD2 4.44Å; Y967-Y1026 AromaticContact CD1-CE1 3.78Å; Y967-Y1026 HydrophobicContact CD1-CE1 3.78Å; Y967-Y1026 HydrophobicContact CD1-CG 4.02Å; Y967-Y1026 AromaticContact CD2-CD1 3.85Å; Y967-Y1026 HydrophobicContact CD2-CD1 3.85Å; Y967-Y1026 HydrophobicContact CD2-CD2 4.45Å; Y967-Y1026 AromaticContact CD2-CG 3.69Å; Y967-Y1026 HydrophobicContact CD2-CG 3.69Å; Y967-Y1026 AromaticContact CE1-CD1 3.81Å; Y967-Y1026 HydrophobicContact CE1-CD1 3.81Å; Y967-Y1026 HydrophobicContact CE1-CE1 4.02Å; Y967-Y1026 HydrophobicContact CE2-CD1 4.01Å; Y967-Y1026 HydrophobicContact CE2-CG 4.25Å; Y967-Y1026 AromaticContact CG-CD1 3.63Å; Y967-Y1026 HydrophobicContact CG-CD1 3.63Å; Y967-Y1026 AromaticContact CG-CD2 3.95Å; Y967-Y1026 HydrophobicContact CG-CD2 3.95Å; Y967-Y1026 HydrophobicContact CG-CE1 4.18Å; Y967-Y1026 HydrophobicContact CG-CE2 4.43Å; Y967-Y1026 AromaticContact CG-CG 3.55Å; Y967-Y1026 HydrophobicContact CG-CG 3.55Å; Y967-Y1026 AromaticContact CZ-CD1 3.99Å; F1008-Y1026 HydrophobicContact CE1-CD2 4.16Å; Q1022-Y1026 HydrophobicContact CG-CD2 4.19Å; Q1022-Y1026 HydrophobicContact CG-CE1 4.35Å; Q1022-Y1026 HydrophobicContact CG-CE2 3.38Å; Q1022-Y1026 VanDerWaalsContact CG-CZ 3.42Å; Q1022-Y1026 VanDerWaalsContact CG-OH 3.3Å; Q1022-Y1026 WeakPolarHBondContact CG-OH 3.31Å; Q1022-Y1026 PolarHBondContact NE2-OH 3.31Å; Q1022-Y1026 PolarHBondContact O-N 2.91Å; N1023-Y1026 PolarHBondContact O-N 3.43Å; L1024-Y1026 VanDerWaalsContact C-N 3.28Å; L1024-Y1026 PolarHBondContact O-N 3.16Å; Y1026-E1028 VanDerWaalsContact C-N 3.33Å; Y1026-E1028 PolarHBondContact O-N 3.28Å; Y1026-S1029 PolarHBondContact O-N 2.84Å; Y1026-L1030 WeakPolarHBondContact O-CB 3.37Å; Y1026-L1030 VanDerWaalsContact O-CG 3.3Å; Y1026-L1030 WeakPolarHBondContact O-CG 3.23Å; Y1026-L1030 PolarHBondContact O-N 3.26Å
1027L95.1Very high93Very high0 Ų043 Ų430%022%0.219CC..Hα-helixtrans-61.2-43.3174.7-72.7179.3000111.7M1005 F1008 F1012 N1023 L1024 L1030 N1031 L1036 F1050M1005-L1027 HydrophobicContact SD-CD2 4.16Å; F1008-L1027 HydrophobicContact CB-CD2 4.49Å; F1008-L1027 HydrophobicContact CG-CD2 4.45Å; F1012-L1027 HydrophobicContact CE2-CD1 3.49Å; F1012-L1027 VanDerWaalsContact CE2-CD1 3.49Å; F1012-L1027 HydrophobicContact CZ-CD1 3.58Å; N1023-L1027 PolarHBondContact O-N 3Å; N1023-L1027 VanDerWaalsContact O-N 3.08Å; L1024-L1027 PolarHBondContact O-N 2.99Å; L1027-L1030 PolarHBondContact O-N 3.04Å; L1027-N1031 WeakPolarHBondContact O-CB 3.43Å; L1027-N1031 PolarHBondContact O-N 3.08Å; L1027-L1036 HydrophobicContact CD2-CD2 4.03Å; L1027-F1050 HydrophobicContact CD1-CD1 3.96Å; L1027-F1050 HydrophobicContact CD1-CE1 3.64Å
1028E95.2Very high93Very high35 Ų3545 Ų4516%0.16423%0.227CC..Hα-helixtrans-65.8-40.5177.7-71.7-55.3140.100112.2L1024 S1025 Y1026 N1031 S1032 Y1037 A1073 N1076L1024-E1028 PolarHBondContact O-N 3.46Å; L1024-E1028 VanDerWaalsContact O-N 3.09Å; S1025-E1028 PolarHBondContact O-N 3.4Å; Y1026-E1028 VanDerWaalsContact C-N 3.33Å; Y1026-E1028 PolarHBondContact O-N 3.28Å; E1028-N1031 PolarHBondContact O-N 2.96Å; E1028-S1032 WeakPolarHBondContact O-CB 3.5Å; E1028-S1032 PolarHBondContact O-N 3.04Å; E1028-Y1037 PolarHBondContact OE1-OH 3.36Å; E1028-A1073 HydrophobicContact CG-CB 4.49Å; E1028-A1073 WeakPolarHBondContact OE1-CA 3.38Å; E1028-A1073 WeakPolarHBondContact OE1-CB 3.25Å; E1028-N1076 PolarHBondContact OE2-ND2 3.29Å
1029S94.9Very high92.9Very high39 Ų3940.6 Ų40.627%0.27320%0.204SC..Hα-helixtrans-61.9-46.5173.7-179.10000112.2Y967 S1025 Y1026 N1031 S1032 K1033Y967-S1029 WeakPolarHBondContact OH-CB 3.41Å; Y967-S1029 PolarHBondContact OH-OG 2.9Å; S1025-S1029 WeakPolarHBondContact O-CB 3.31Å; S1025-S1029 PolarHBondContact O-N 3.39Å; Y1026-S1029 PolarHBondContact O-N 2.84Å; S1029-N1031 VanDerWaalsContact C-N 3.29Å; S1029-N1031 PolarHBondContact O-N 2.98Å; S1029-S1032 PolarHBondContact O-N 3.37Å; S1029-K1033 PolarHBondContact O-N 2.95Å
1030L93Very high92.6Very high0 Ų046.3 Ų46.30%023%0.229CC..Hα-helixtrans-60.7-39175.5-72.3174.2000111.6Y967 L970 H971 M1005 Y1026 L1027 H1034 L1036Y967-L1030 HydrophobicContact CD2-CD1 4.2Å; Y967-L1030 HydrophobicContact CD2-CD2 4.15Å; Y967-L1030 HydrophobicContact CD2-CG 3.93Å; Y967-L1030 HydrophobicContact CE2-CD2 4.02Å; Y967-L1030 HydrophobicContact CE2-CG 3.87Å; L970-L1030 HydrophobicContact CB-CD1 4.2Å; L970-L1030 HydrophobicContact CB-CD2 4.03Å; L970-L1030 HydrophobicContact CD1-CD1 4.06Å; H971-L1030 HydrophobicContact CB-CD2 3.81Å; M1005-L1030 HydrophobicContact CE-CD1 4.45Å; Y1026-L1030 WeakPolarHBondContact O-CB 3.37Å; Y1026-L1030 VanDerWaalsContact O-CG 3.3Å; Y1026-L1030 WeakPolarHBondContact O-CG 3.23Å; Y1026-L1030 PolarHBondContact O-N 3.26Å; L1027-L1030 PolarHBondContact O-N 3.04Å; L1030-H1034 WeakPolarHBondContact O-CA 3.4Å; L1030-H1034 WeakPolarHBondContact O-CB 3.41Å; L1030-H1034 PolarHBondContact O-N 3.32Å; L1030-L1036 HydrophobicContact CB-CB 4.38Å; L1030-L1036 HydrophobicContact CB-CD2 3.98Å; L1030-L1036 HydrophobicContact CD1-CD2 4.37Å
1031N93.4Very high92.2Very high13 Ų1347.7 Ų47.77%0.0724%0.236CC..Hα-helixtrans-68.9-43.8176.2-17550.7000112.3L1027 E1028 S1029 K1033 K1035 L1036 Y1037L1027-N1031 WeakPolarHBondContact O-CB 3.43Å; L1027-N1031 PolarHBondContact O-N 3.08Å; E1028-N1031 PolarHBondContact O-N 2.96Å; S1029-N1031 VanDerWaalsContact C-N 3.29Å; S1029-N1031 PolarHBondContact O-N 2.98Å; N1031-K1033 VanDerWaalsContact C-N 3.34Å; N1031-K1033 PolarHBondContact O-N 3.37Å; N1031-K1035 WeakPolarHBondContact O-CA 3.48Å; N1031-K1035 PolarHBondContact O-N 3.15Å; N1031-L1036 HydrophobicContact CB-CB 4.27Å; N1031-L1036 PolarHBondContact OD1-N 3.07Å; N1031-Y1037 HydrophobicContact CB-CD1 4.3Å; N1031-Y1037 HydrophobicContact CB-CD2 3.94Å; N1031-Y1037 HydrophobicContact CB-CE1 4.13Å; N1031-Y1037 HydrophobicContact CB-CE2 3.75Å; N1031-Y1037 HydrophobicContact CB-CG 4.19Å; N1031-Y1037 VanDerWaalsContact CG-CE2 3.5Å; N1031-Y1037 WeakPolarHBondContact ND2-CD2 3.25Å; N1031-Y1037 WeakPolarHBondContact ND2-CE2 3.48Å; N1031-Y1037 WeakPolarHBondContact OD1-CD2 3.43Å; N1031-Y1037 PolarHBondContact OD1-N 3.01Å
1032S91.9Very high91.9Very high92 Ų9242.5 Ų42.564%0.64321%0.213SC*.Hα-helixtrans-57.3-46.7178-176.20000111.7E1028 S1029E1028-S1032 WeakPolarHBondContact O-CB 3.5Å; E1028-S1032 PolarHBondContact O-N 3.04Å; S1029-S1032 PolarHBondContact O-N 3.37Å
1033K90.9Very high91.6Very high112 Ų11246.4 Ų46.449%0.48723%0.226SC..Hα-helixtrans-83.5-45.7-176.8-168.8177.4-176.3-178.10114.4H971 S1029 N1031H971-K1033 PolarHBondContact CE1-NZ 3.42Å; H971-K1033 WeakPolarHBondContact NE2-CD 3.33Å; H971-K1033 PolarHBondContact NE2-NZ 3.42Å; S1029-K1033 PolarHBondContact O-N 2.95Å; N1031-K1033 VanDerWaalsContact C-N 3.34Å; N1031-K1033 PolarHBondContact O-N 3.37Å
1034H88.5Confident91.2Very high30 Ų3051.6 Ų51.614%0.13926%0.258CS..Hα-helixtrans-109.61.6-169.5-62.9-55.3000114.3H971 W974 L1030 L1036 R1039H971-H1034 PolarHBondContact O-NE2 2.94Å; W974-H1034 HydrophobicContact CD2-CB 3.91Å; W974-H1034 AromaticContact CD2-CD2 3.84Å; W974-H1034 AromaticContact CD2-CG 3.67Å; W974-H1034 HydrophobicContact CE3-CB 4.04Å; W974-H1034 AromaticContact CE3-CD2 3.59Å; W974-H1034 AromaticContact CE3-CG 3.83Å; W974-H1034 AromaticContact CG-CE1 3.9Å; W974-H1034 AromaticContact CG-CG 4Å; W974-H1034 AromaticContact CG-ND1 3.82Å; W974-H1034 HydrophobicContact CH2-CB 4.01Å; W974-H1034 HydrophobicContact CZ2-CB 3.86Å; W974-H1034 HydrophobicContact CZ3-CB 4.1Å; L1030-H1034 WeakPolarHBondContact O-CA 3.4Å; L1030-H1034 WeakPolarHBondContact O-CB 3.41Å; L1030-H1034 PolarHBondContact O-N 3.32Å; H1034-L1036 PolarHBondContact O-N 3.49Å; H1034-R1039 PolarHBondContact O-NE 3.42Å; H1034-R1039 PolarHBondContact O-NH2 3.49Å
1035K90.4Very high90.8Very high117 Ų11753.9 Ų53.951%0.50927%0.274SS..  trans51.444.4-173.9-59.4-62.9-178.1-173.70111.7N1031 Y1037 H1038N1031-K1035 WeakPolarHBondContact O-CA 3.48Å; N1031-K1035 PolarHBondContact O-N 3.15Å; K1035-Y1037 PolarHBondContact O-N 3.01Å; K1035-Y1037 VanDerWaalsContact O-N 3.16Å; K1035-H1038 HydrophobicContact CB-CB 4.26Å; K1035-H1038 WeakPolarHBondContact O-CB 3.29Å; K1035-H1038 PolarHBondContact O-N 2.92Å
1036L91.6Very high90.5Very high0 Ų051 Ų510%025%0.253CS..G310 helixtrans-44.2-48.7-177.5172.761.4000112.6W974 F1001 M1005 L1027 L1030 N1031 H1034 H1038 R1039 F1042W974-L1036 HydrophobicContact CH2-CD1 3.92Å; F1001-L1036 HydrophobicContact CZ-CD1 3.83Å; M1005-L1036 HydrophobicContact CE-CD1 3.48Å; M1005-L1036 VanDerWaalsContact CE-CD1 3.48Å; M1005-L1036 HydrophobicContact CE-CD2 3.61Å; M1005-L1036 HydrophobicContact CE-CG 4.19Å; M1005-L1036 HydrophobicContact SD-CD2 4.37Å; L1027-L1036 HydrophobicContact CD2-CD2 4.03Å; L1030-L1036 HydrophobicContact CB-CB 4.38Å; L1030-L1036 HydrophobicContact CB-CD2 3.98Å; L1030-L1036 HydrophobicContact CD1-CD2 4.37Å; N1031-L1036 HydrophobicContact CB-CB 4.27Å; N1031-L1036 PolarHBondContact OD1-N 3.07Å; H1034-L1036 PolarHBondContact O-N 3.49Å; L1036-H1038 PolarHBondContact O-N 2.92Å; L1036-R1039 WeakPolarHBondContact O-CB 2.94Å; L1036-R1039 WeakPolarHBondContact O-CG 3.43Å; L1036-R1039 PolarHBondContact O-N 3.35Å; L1036-R1039 VanDerWaalsContact O-N 3.11Å; L1036-F1042 HydrophobicContact CD1-CB 4.47Å; L1036-F1042 HydrophobicContact CD1-CD2 3.89Å; L1036-F1042 HydrophobicContact CD1-CE2 4.47Å; L1036-F1042 HydrophobicContact CD1-CG 4.29Å; L1036-F1042 HydrophobicContact CD2-CD2 4.43Å; L1036-F1042 HydrophobicContact CD2-CE2 4.2Å; L1036-F1042 HydrophobicContact CG-CD2 4.07Å; L1036-F1042 HydrophobicContact CG-CE2 4.28Å; L1036-F1042 HydrophobicContact CG-CG 4.35Å
1037Y92.6Very high90.3Very high0 Ų050.8 Ų50.80%025%0.254CS..G310 helixtrans-67-21.9-174.9-55.9-22.6000113.4E1028 N1031 K1035 R1039 F1042 N1076 M1077 V1080E1028-Y1037 PolarHBondContact OE1-OH 3.36Å; N1031-Y1037 HydrophobicContact CB-CD1 4.3Å; N1031-Y1037 HydrophobicContact CB-CD2 3.94Å; N1031-Y1037 HydrophobicContact CB-CE1 4.13Å; N1031-Y1037 HydrophobicContact CB-CE2 3.75Å; N1031-Y1037 HydrophobicContact CB-CG 4.19Å; N1031-Y1037 VanDerWaalsContact CG-CE2 3.5Å; N1031-Y1037 WeakPolarHBondContact ND2-CD2 3.25Å; N1031-Y1037 WeakPolarHBondContact ND2-CE2 3.48Å; N1031-Y1037 WeakPolarHBondContact OD1-CD2 3.43Å; N1031-Y1037 PolarHBondContact OD1-N 3.01Å; K1035-Y1037 PolarHBondContact O-N 3.01Å; K1035-Y1037 VanDerWaalsContact O-N 3.16Å; Y1037-R1039 VanDerWaalsContact C-N 3.35Å; Y1037-F1042 AromaticContact CD1-CD1 3.93Å; Y1037-F1042 HydrophobicContact CD1-CD1 3.93Å; Y1037-F1042 AromaticContact CD1-CE1 3.41Å; Y1037-F1042 HydrophobicContact CD1-CE1 3.41Å; Y1037-F1042 VanDerWaalsContact CD1-CE1 3.41Å; Y1037-F1042 AromaticContact CD1-CZ 3.84Å; Y1037-F1042 HydrophobicContact CD1-CZ 3.84Å; Y1037-F1042 AromaticContact CE1-CE1 3.95Å; Y1037-F1042 HydrophobicContact CE1-CE1 3.95Å; Y1037-F1042 AromaticContact CE1-CZ 3.94Å; Y1037-F1042 HydrophobicContact CE1-CZ 3.94Å; Y1037-F1042 HydrophobicContact CG-CE1 4.32Å; Y1037-N1076 HydrophobicContact CD2-CB 4.41Å; Y1037-N1076 HydrophobicContact CE2-CB 4.02Å; Y1037-M1077 HydrophobicContact CD1-CG 4.31Å; Y1037-M1077 HydrophobicContact CD2-CB 4.34Å; Y1037-M1077 HydrophobicContact CD2-CG 3.7Å; Y1037-M1077 HydrophobicContact CE1-CE 3.93Å; Y1037-M1077 HydrophobicContact CE1-CG 4.13Å; Y1037-M1077 HydrophobicContact CE2-CB 4.48Å; Y1037-M1077 HydrophobicContact CE2-CE 4.31Å; Y1037-M1077 HydrophobicContact CE2-CG 3.49Å; Y1037-M1077 VanDerWaalsContact CE2-CG 3.49Å; Y1037-M1077 HydrophobicContact CG-CG 4.12Å; Y1037-M1077 WeakPolarHBondContact OH-CE 3.14Å; Y1037-V1080 HydrophobicContact CG-CG2 4.46Å
1038H89.6Confident90.1Very high92 Ų9254 Ų5443%0.42627%0.268SS..G310 helixtrans-84.5-10.5179.6-61.768.7000112.7K1035 L1036K1035-H1038 HydrophobicContact CB-CB 4.26Å; K1035-H1038 WeakPolarHBondContact O-CB 3.29Å; K1035-H1038 PolarHBondContact O-N 2.92Å; L1036-H1038 PolarHBondContact O-N 2.92Å
1039R87.8Confident90Very high56 Ų5657.9 Ų57.921%0.21129%0.286CS..SBendtrans-71135-178.7-59.8-57.6-178.8171.99.3110.5W974 D993 H1034 L1036 Y1037 L1041 F1042 R1043W974-R1039 HydrophobicContact CZ2-CG 4.17Å; D993-R1039 IonicContact OD2-CZ 2.87Å; D993-R1039 IonicContact OD2-NH1 3.92Å; D993-R1039 PolarHBondContact OD2-NH1 2.95Å; D993-R1039 IonicContact OD2-NH2 2.58Å; H1034-R1039 PolarHBondContact O-NE 3.42Å; H1034-R1039 PolarHBondContact O-NH2 3.49Å; L1036-R1039 WeakPolarHBondContact O-CB 2.94Å; L1036-R1039 WeakPolarHBondContact O-CG 3.43Å; L1036-R1039 PolarHBondContact O-N 3.35Å; L1036-R1039 VanDerWaalsContact O-N 3.11Å; Y1037-R1039 VanDerWaalsContact C-N 3.35Å; R1039-L1041 VanDerWaalsContact C-N 3.35Å; R1039-L1041 PolarHBondContact O-N 2.91Å; R1039-F1042 PolarHBondContact O-N 2.93Å; R1039-R1043 WeakPolarHBondContact O-CB 3.39Å; R1039-R1043 PolarHBondContact O-N 3.33Å
1040K85.1Confident90Very high125 Ų12556.5 Ų56.554%0.54328%0.275SS..Hα-helixtrans-47.9-52-174.3-173.7177.2-171.4171.50112.9D992 R1043 T1044D992-K1040 VanDerWaalsContact CG-NZ 3.29Å; D992-K1040 VanDerWaalsContact OD1-CD 3.29Å; D992-K1040 WeakPolarHBondContact OD1-CD 3.31Å; D992-K1040 IonicContact OD1-NZ 3.01Å; D992-K1040 PolarHBondContact OD1-NZ 3.13Å; D992-K1040 IonicContact OD2-NZ 2.59Å; D992-K1040 PolarHBondContact OD2-NZ 3.33Å; K1040-R1043 PolarHBondContact O-N 2.89Å; K1040-T1044 WeakPolarHBondContact O-CB 3.25Å; K1040-T1044 WeakPolarHBondContact O-CG2 3.33Å; K1040-T1044 PolarHBondContact O-N 3.34Å; K1040-T1044 PolarHBondContact O-OG1 3.14Å
1041L86.3Confident90Very high29 Ų2956.5 Ų56.515%0.15228%0.275CS..Hα-helixtrans-57.8-53178.8-175.972.1000111.6M995 E998 F1001 R1039 R1043 T1044 S1045 M1046M995-L1041 HydrophobicContact CE-CD2 3.73Å; M995-L1041 HydrophobicContact SD-CB 4.38Å; M995-L1041 HydrophobicContact SD-CD2 3.6Å; E998-L1041 HydrophobicContact CG-CD1 4.39Å; E998-L1041 HydrophobicContact CG-CD2 4.02Å; E998-L1041 VanDerWaalsContact OE1-CD1 3.29Å; E998-L1041 WeakPolarHBondContact OE1-CD1 3.38Å; F1001-L1041 HydrophobicContact CD1-CD2 3.8Å; F1001-L1041 HydrophobicContact CE1-CD2 4.09Å; R1039-L1041 VanDerWaalsContact C-N 3.35Å; R1039-L1041 PolarHBondContact O-N 2.91Å; L1041-R1043 PolarHBondContact O-N 3.48Å; L1041-T1044 PolarHBondContact O-N 3.09Å; L1041-T1044 PolarHBondContact O-OG1 3.45Å; L1041-S1045 PolarHBondContact O-N 2.73Å; L1041-S1045 PolarHBondContact O-OG 3.31Å; L1041-M1046 HydrophobicContact CD2-CE 4.26Å; L1041-M1046 HydrophobicContact CG-CE 4.48Å
1042F88.3Confident90Very high0 Ų058 Ų580%028%0.283CS..Iπ-helixtrans-62.2-45.7-178.6-164.8-82.3000111.1M1005 L1036 Y1037 R1039 T1044 M1046 L1047 F1050M1005-F1042 HydrophobicContact SD-CD2 4.36Å; M1005-F1042 HydrophobicContact SD-CE2 4.02Å; L1036-F1042 HydrophobicContact CD1-CB 4.47Å; L1036-F1042 HydrophobicContact CD1-CD2 3.89Å; L1036-F1042 HydrophobicContact CD1-CE2 4.47Å; L1036-F1042 HydrophobicContact CD1-CG 4.29Å; L1036-F1042 HydrophobicContact CD2-CD2 4.43Å; L1036-F1042 HydrophobicContact CD2-CE2 4.2Å; L1036-F1042 HydrophobicContact CG-CD2 4.07Å; L1036-F1042 HydrophobicContact CG-CE2 4.28Å; L1036-F1042 HydrophobicContact CG-CG 4.35Å; Y1037-F1042 AromaticContact CD1-CD1 3.93Å; Y1037-F1042 HydrophobicContact CD1-CD1 3.93Å; Y1037-F1042 AromaticContact CD1-CE1 3.41Å; Y1037-F1042 HydrophobicContact CD1-CE1 3.41Å; Y1037-F1042 VanDerWaalsContact CD1-CE1 3.41Å; Y1037-F1042 AromaticContact CD1-CZ 3.84Å; Y1037-F1042 HydrophobicContact CD1-CZ 3.84Å; Y1037-F1042 AromaticContact CE1-CE1 3.95Å; Y1037-F1042 HydrophobicContact CE1-CE1 3.95Å; Y1037-F1042 AromaticContact CE1-CZ 3.94Å; Y1037-F1042 HydrophobicContact CE1-CZ 3.94Å; Y1037-F1042 HydrophobicContact CG-CE1 4.32Å; R1039-F1042 PolarHBondContact O-N 2.93Å; F1042-T1044 PolarHBondContact O-N 3.4Å; F1042-M1046 HydrophobicContact CD2-CB 3.99Å; F1042-M1046 HydrophobicContact CD2-SD 3.77Å; F1042-M1046 HydrophobicContact CE2-CB 4.13Å; F1042-M1046 HydrophobicContact CE2-SD 4.24Å; F1042-M1046 HydrophobicContact CG-CB 4.2Å; F1042-M1046 HydrophobicContact CZ-CB 4.45Å; F1042-M1046 PolarHBondContact O-N 3.42Å; F1042-L1047 HydrophobicContact CD1-CB 4.22Å; F1042-L1047 HydrophobicContact CE1-CB 4.28Å; F1042-L1047 WeakPolarHBondContact O-CB 3.26Å; F1042-L1047 PolarHBondContact O-N 3.33Å; F1042-F1050 HydrophobicContact CE2-CD2 4.16Å; F1042-F1050 AromaticContact CE2-CE2 3.93Å; F1042-F1050 HydrophobicContact CE2-CE2 3.93Å; F1042-F1050 HydrophobicContact CE2-CZ 4.46Å; F1042-F1050 AromaticContact CZ-CD2 3.79Å; F1042-F1050 HydrophobicContact CZ-CD2 3.79Å; F1042-F1050 HydrophobicContact CZ-CE2 4.03Å; F1042-F1050 HydrophobicContact CZ-CG 4.19Å
1043R87.8Confident90Very high122 Ų12254.9 Ų54.946%0.4626%0.26SS..Iπ-helixtrans-60.2-41.8179.4-176.7177.8174.2-169.4-1112.6R1039 K1040 L1041 V1080 D1081R1039-R1043 WeakPolarHBondContact O-CB 3.39Å; R1039-R1043 PolarHBondContact O-N 3.33Å; K1040-R1043 PolarHBondContact O-N 2.89Å; L1041-R1043 PolarHBondContact O-N 3.48Å; R1043-V1080 HydrophobicContact CG-CG1 4.48Å; R1043-D1081 IonicContact CZ-OD2 2.87Å; R1043-D1081 IonicContact NE-OD2 2.72Å; R1043-D1081 IonicContact NH2-OD2 2.57Å; R1043-D1081 PolarHBondContact NH2-OD2 3.34Å
1044T85.5Confident90.2Very high110 Ų11049.5 Ų49.568%0.67524%0.237SC*.Iπ-helixtrans-88.3-34.3-174.359.20000114K1040 L1041 F1042K1040-T1044 WeakPolarHBondContact O-CB 3.25Å; K1040-T1044 WeakPolarHBondContact O-CG2 3.33Å; K1040-T1044 PolarHBondContact O-N 3.34Å; K1040-T1044 PolarHBondContact O-OG1 3.14Å; L1041-T1044 PolarHBondContact O-N 3.09Å; L1041-T1044 PolarHBondContact O-OG1 3.45Å; F1042-T1044 PolarHBondContact O-N 3.4Å
1045S86.4Confident90.3Very high52 Ų5248.2 Ų48.236%0.36423%0.231SC..Iπ-helixtrans-110.7-26.2-172.3700000115L1041 H1049L1041-S1045 PolarHBondContact O-N 2.73Å; L1041-S1045 PolarHBondContact O-OG 3.31Å; S1045-H1049 PolarHBondContact O-CE1 3.29Å; S1045-H1049 PolarHBondContact O-ND1 2.95Å
1046M90.9Very high90.3Very high15 Ų1544.8 Ų44.87%0.07422%0.216CC..Iπ-helixtrans-113.3-36.5-170-62.8175.5-174.500113.9T1002 M1005 L1041 F1042 F1048 H1049 F1050T1002-M1046 HydrophobicContact CG2-CE 3.82Å; M1005-M1046 HydrophobicContact CB-CE 3.92Å; M1005-M1046 HydrophobicContact CB-SD 3.54Å; M1005-M1046 VanDerWaalsContact CB-SD 3.54Å; M1005-M1046 HydrophobicContact CG-CE 4.4Å; M1005-M1046 HydrophobicContact CG-SD 3.87Å; L1041-M1046 HydrophobicContact CD2-CE 4.26Å; L1041-M1046 HydrophobicContact CG-CE 4.48Å; F1042-M1046 HydrophobicContact CD2-CB 3.99Å; F1042-M1046 HydrophobicContact CD2-SD 3.77Å; F1042-M1046 HydrophobicContact CE2-CB 4.13Å; F1042-M1046 HydrophobicContact CE2-SD 4.24Å; F1042-M1046 HydrophobicContact CG-CB 4.2Å; F1042-M1046 HydrophobicContact CZ-CB 4.45Å; F1042-M1046 PolarHBondContact O-N 3.42Å; M1046-F1048 VanDerWaalsContact C-N 3.3Å; M1046-F1048 PolarHBondContact O-N 2.87Å; M1046-H1049 WeakPolarHBondContact O-CA 3.46Å; M1046-H1049 WeakPolarHBondContact O-CB 3.34Å; M1046-H1049 PolarHBondContact O-N 2.88Å; M1046-F1050 HydrophobicContact CB-CD2 4.08Å; M1046-F1050 HydrophobicContact CB-CE2 4.1Å; M1046-F1050 WeakPolarHBondContact O-CD2 3.31Å; M1046-F1050 PolarHBondContact O-N 3.26Å; M1046-F1050 VanDerWaalsContact O-N 3.1Å
1047L91.6Very high90.2Very high27 Ų2745.2 Ų45.214%0.14122%0.219CC..Hα-helixtrans-54.2-43.9-171-173.4147.9000112.6F1042 H1049 F1050 I1051 V1080F1042-L1047 HydrophobicContact CD1-CB 4.22Å; F1042-L1047 HydrophobicContact CE1-CB 4.28Å; F1042-L1047 WeakPolarHBondContact O-CB 3.26Å; F1042-L1047 PolarHBondContact O-N 3.33Å; L1047-H1049 VanDerWaalsContact C-N 3.34Å; L1047-H1049 PolarHBondContact O-N 3.46Å; L1047-F1050 PolarHBondContact O-N 3.01Å; L1047-I1051 HydrophobicContact CD2-CD1 3.49Å; L1047-I1051 VanDerWaalsContact CD2-CD1 3.49Å; L1047-I1051 HydrophobicContact CD2-CG1 4.38Å; L1047-I1051 HydrophobicContact CG-CD1 4.18Å; L1047-I1051 WeakPolarHBondContact O-CG1 3.25Å; L1047-I1051 PolarHBondContact O-N 2.98Å; L1047-I1051 VanDerWaalsContact O-N 3.1Å; L1047-V1080 HydrophobicContact CD1-CB 4.38Å; L1047-V1080 HydrophobicContact CD1-CG2 4.48Å
1048F91.5Very high90.1Very high69 Ų6945.5 Ų45.530%0.30322%0.22SC..Hα-helixtrans-55.8-47174.4-178.4-83.4000112.3M1046 N1052 F1089 Q1092M1046-F1048 VanDerWaalsContact C-N 3.3Å; M1046-F1048 PolarHBondContact O-N 2.87Å; F1048-N1052 HydrophobicContact CE1-CB 4.42Å; F1048-N1052 VanDerWaalsContact O-CB 3.23Å; F1048-N1052 WeakPolarHBondContact O-CB 3.47Å; F1048-N1052 PolarHBondContact O-N 3.38Å; F1048-F1089 AromaticContact CD2-CD2 3.35Å; F1048-F1089 HydrophobicContact CD2-CD2 3.35Å; F1048-F1089 AromaticContact CD2-CE2 3.83Å; F1048-F1089 HydrophobicContact CD2-CE2 3.83Å; F1048-F1089 HydrophobicContact CD2-CG 4.39Å; F1048-F1089 AromaticContact CE2-CD2 3.6Å; F1048-F1089 HydrophobicContact CE2-CD2 3.6Å; F1048-F1089 AromaticContact CE2-CE2 3.9Å; F1048-F1089 HydrophobicContact CE2-CE2 3.9Å; F1048-F1089 HydrophobicContact CE2-CG 4.47Å; F1048-F1089 HydrophobicContact CG-CD2 4.08Å; F1048-F1089 HydrophobicContact CG-CE2 4.24Å; F1048-F1089 HydrophobicContact CZ-CE2 4.41Å; F1048-Q1092 HydrophobicContact CE2-CB 3.98Å; F1048-Q1092 HydrophobicContact CZ-CB 4.35Å
1049H92Very high89.9Confident116 Ų11641.5 Ų41.554%0.53720%0.202SC..Hα-helixtrans-67.3-42.5-175.8-61.596.5000111.8S1045 M1046 L1047 N1052 V1053S1045-H1049 PolarHBondContact O-CE1 3.29Å; S1045-H1049 PolarHBondContact O-ND1 2.95Å; M1046-H1049 WeakPolarHBondContact O-CA 3.46Å; M1046-H1049 WeakPolarHBondContact O-CB 3.34Å; M1046-H1049 PolarHBondContact O-N 2.88Å; L1047-H1049 VanDerWaalsContact C-N 3.34Å; L1047-H1049 PolarHBondContact O-N 3.46Å; H1049-N1052 PolarHBondContact O-N 3.46Å; H1049-V1053 VanDerWaalsContact O-CG2 3.31Å; H1049-V1053 WeakPolarHBondContact O-CG2 3.46Å; H1049-V1053 PolarHBondContact O-N 2.88Å
1050F94.3Very high89.9Confident10 Ų1045 Ų454%0.04422%0.221CC..Hα-helixtrans-65.5-47.8178.3-83.4-89.6000112.2M1005 F1008 F1012 L1027 F1042 M1046 L1047 N1052 V1053 L1054 M1077M1005-F1050 WeakPolarHBondContact O-CZ 3.49Å; F1008-F1050 HydrophobicContact CB-CE1 4.47Å; F1008-F1050 HydrophobicContact CB-CZ 4.45Å; F1012-F1050 HydrophobicContact CD2-CD1 4.16Å; F1012-F1050 HydrophobicContact CD2-CE1 4.17Å; F1012-F1050 AromaticContact CE2-CD1 3.85Å; F1012-F1050 HydrophobicContact CE2-CD1 3.85Å; F1012-F1050 AromaticContact CE2-CE1 3.75Å; F1012-F1050 HydrophobicContact CE2-CE1 3.75Å; L1027-F1050 HydrophobicContact CD1-CD1 3.96Å; L1027-F1050 HydrophobicContact CD1-CE1 3.64Å; F1042-F1050 HydrophobicContact CE2-CD2 4.16Å; F1042-F1050 AromaticContact CE2-CE2 3.93Å; F1042-F1050 HydrophobicContact CE2-CE2 3.93Å; F1042-F1050 HydrophobicContact CE2-CZ 4.46Å; F1042-F1050 AromaticContact CZ-CD2 3.79Å; F1042-F1050 HydrophobicContact CZ-CD2 3.79Å; F1042-F1050 HydrophobicContact CZ-CE2 4.03Å; F1042-F1050 HydrophobicContact CZ-CG 4.19Å; M1046-F1050 HydrophobicContact CB-CD2 4.08Å; M1046-F1050 HydrophobicContact CB-CE2 4.1Å; M1046-F1050 WeakPolarHBondContact O-CD2 3.31Å; M1046-F1050 PolarHBondContact O-N 3.26Å; M1046-F1050 VanDerWaalsContact O-N 3.1Å; L1047-F1050 PolarHBondContact O-N 3.01Å; F1050-N1052 VanDerWaalsContact C-N 3.29Å; F1050-N1052 PolarHBondContact O-N 3.43Å; F1050-V1053 PolarHBondContact O-N 3.46Å; F1050-L1054 WeakPolarHBondContact O-CG 3.39Å; F1050-L1054 PolarHBondContact O-N 2.89Å; F1050-M1077 HydrophobicContact CB-CE 4.05Å; F1050-M1077 HydrophobicContact CB-SD 3.82Å
1051I93.8Very high89.8Confident0 Ų043.2 Ų43.20%021%0.213CC..Hα-helixtrans-59.9-44176-63178.5000110.1L1047 L1054 L1055 I1074 M1077 F1085 F1089L1047-I1051 HydrophobicContact CD2-CD1 3.49Å; L1047-I1051 VanDerWaalsContact CD2-CD1 3.49Å; L1047-I1051 HydrophobicContact CD2-CG1 4.38Å; L1047-I1051 HydrophobicContact CG-CD1 4.18Å; L1047-I1051 WeakPolarHBondContact O-CG1 3.25Å; L1047-I1051 PolarHBondContact O-N 2.98Å; L1047-I1051 VanDerWaalsContact O-N 3.1Å; I1051-L1054 PolarHBondContact O-N 3.22Å; I1051-L1055 HydrophobicContact CG2-CD1 3.91Å; I1051-L1055 HydrophobicContact CG2-CG 4.38Å; I1051-L1055 WeakPolarHBondContact O-CB 3.42Å; I1051-L1055 WeakPolarHBondContact O-CG 3.44Å; I1051-L1055 PolarHBondContact O-N 2.93Å; I1051-I1074 HydrophobicContact CG2-CG2 4.27Å; I1051-M1077 HydrophobicContact CD1-CB 3.79Å; I1051-M1077 HydrophobicContact CG1-CB 3.72Å; I1051-M1077 HydrophobicContact CG1-CG 4.41Å; I1051-M1077 HydrophobicContact CG1-SD 3.8Å; I1051-F1085 HydrophobicContact CD1-CD2 4.09Å; I1051-F1085 HydrophobicContact CD1-CE2 4.23Å; I1051-F1085 HydrophobicContact CG2-CE2 4.04Å; I1051-F1089 HydrophobicContact CB-CE2 3.83Å; I1051-F1089 HydrophobicContact CB-CZ 3.86Å; I1051-F1089 HydrophobicContact CG2-CD1 4.32Å; I1051-F1089 HydrophobicContact CG2-CD2 4.45Å; I1051-F1089 HydrophobicContact CG2-CE1 3.55Å; I1051-F1089 HydrophobicContact CG2-CE2 3.71Å; I1051-F1089 HydrophobicContact CG2-CZ 3.22Å
1052N92.6Very high89.5Confident44 Ų4445.2 Ų45.224%0.23523%0.229CC..Hα-helixtrans-61.4-46.6178.3-179.856.5000111.9F1048 H1049 F1050 L1055 Q1056 F1089 F1093F1048-N1052 HydrophobicContact CE1-CB 4.42Å; F1048-N1052 VanDerWaalsContact O-CB 3.23Å; F1048-N1052 WeakPolarHBondContact O-CB 3.47Å; F1048-N1052 PolarHBondContact O-N 3.38Å; H1049-N1052 PolarHBondContact O-N 3.46Å; F1050-N1052 VanDerWaalsContact C-N 3.29Å; F1050-N1052 PolarHBondContact O-N 3.43Å; N1052-L1055 PolarHBondContact O-N 3.44Å; N1052-Q1056 VanDerWaalsContact O-CG 3.27Å; N1052-Q1056 WeakPolarHBondContact O-CG 3.4Å; N1052-Q1056 PolarHBondContact O-N 3.42Å; N1052-Q1056 PolarHBondContact OD1-NE2 3.13Å; N1052-F1089 HydrophobicContact CB-CE2 4.39Å; N1052-F1093 VanDerWaalsContact OD1-CD2 3.31Å; N1052-F1093 WeakPolarHBondContact OD1-CD2 3.38Å; N1052-F1093 WeakPolarHBondContact OD1-CE2 3.3Å
1053V93.3Very high89.3Confident26 Ų2645.6 Ų45.616%0.15823%0.231CC..Hα-helixtrans-60.7-47.7178.7169.30000111.1F1012 L1013 H1049 F1050 L1055 Q1056 V1057F1012-V1053 HydrophobicContact CB-CG1 3.69Å; L1013-V1053 HydrophobicContact CD2-CG1 3.78Å; L1013-V1053 HydrophobicContact CD2-CG2 4.24Å; L1013-V1053 HydrophobicContact CG-CG1 4.39Å; H1049-V1053 VanDerWaalsContact O-CG2 3.31Å; H1049-V1053 WeakPolarHBondContact O-CG2 3.46Å; H1049-V1053 PolarHBondContact O-N 2.88Å; F1050-V1053 PolarHBondContact O-N 3.46Å; V1053-L1055 VanDerWaalsContact C-N 3.35Å; V1053-L1055 PolarHBondContact O-N 3.4Å; V1053-Q1056 PolarHBondContact O-N 3.39Å; V1053-V1057 HydrophobicContact CG1-CG2 4.34Å; V1053-V1057 VanDerWaalsContact O-CG2 3.29Å; V1053-V1057 WeakPolarHBondContact O-CG2 3.29Å; V1053-V1057 PolarHBondContact O-N 3.28Å
1054L93.6Very high89.2Confident0 Ų043 Ų430%023%0.226CC..Hα-helixtrans-62.3-41.2178.7-65.3176.9000111.8F1012 F1020 L1024 F1050 I1051 V1057 L1058 M1070 A1073 I1074 M1077F1012-L1054 HydrophobicContact CD2-CD2 4.42Å; F1012-L1054 HydrophobicContact CG-CD2 4.43Å; F1020-L1054 HydrophobicContact CE1-CD2 4.45Å; F1020-L1054 HydrophobicContact CZ-CD2 3.88Å; L1024-L1054 HydrophobicContact CD1-CD1 4.35Å; L1024-L1054 HydrophobicContact CD1-CD2 4.32Å; F1050-L1054 WeakPolarHBondContact O-CG 3.39Å; F1050-L1054 PolarHBondContact O-N 2.89Å; I1051-L1054 PolarHBondContact O-N 3.22Å; L1054-V1057 PolarHBondContact O-N 2.87Å; L1054-L1058 WeakPolarHBondContact O-CB 3.42Å; L1054-L1058 WeakPolarHBondContact O-CG 3.33Å; L1054-L1058 PolarHBondContact O-N 2.98Å; L1054-M1070 HydrophobicContact CD2-CG 4.28Å; L1054-A1073 HydrophobicContact CD1-CB 4.13Å; L1054-I1074 HydrophobicContact CB-CD1 3.86Å; L1054-I1074 HydrophobicContact CB-CG1 3.82Å; L1054-I1074 HydrophobicContact CD1-CG1 4.04Å; L1054-M1077 HydrophobicContact CD1-CE 4.12Å; L1054-M1077 HydrophobicContact CD1-SD 4.48Å
1055L91.9Very high89.3Confident2 Ų244.9 Ų44.91%0.0123%0.231CC..Hα-helixtrans-66.1-37.5174-76.1175.3000112.7I1051 N1052 V1053 L1058 L1059 I1074 F1089 F1093 V1125I1051-L1055 HydrophobicContact CG2-CD1 3.91Å; I1051-L1055 HydrophobicContact CG2-CG 4.38Å; I1051-L1055 WeakPolarHBondContact O-CB 3.42Å; I1051-L1055 WeakPolarHBondContact O-CG 3.44Å; I1051-L1055 PolarHBondContact O-N 2.93Å; N1052-L1055 PolarHBondContact O-N 3.44Å; V1053-L1055 VanDerWaalsContact C-N 3.35Å; V1053-L1055 PolarHBondContact O-N 3.4Å; L1055-L1058 HydrophobicContact CD2-CD1 4.42Å; L1055-L1058 CarbonylContact O-C 3.6Å; L1055-L1058 PolarHBondContact O-N 3.21Å; L1055-L1059 WeakPolarHBondContact O-CB 3.24Å; L1055-L1059 VanDerWaalsContact O-CG 3.25Å; L1055-L1059 WeakPolarHBondContact O-CG 3.25Å; L1055-L1059 PolarHBondContact O-N 3.19Å; L1055-I1074 HydrophobicContact CD2-CD1 3.81Å; L1055-I1074 HydrophobicContact CG-CD1 4Å; L1055-F1089 HydrophobicContact CD1-CE1 3.73Å; L1055-F1089 HydrophobicContact CD1-CZ 3.86Å; L1055-F1093 HydrophobicContact CB-CE2 3.81Å; L1055-F1093 HydrophobicContact CB-CZ 3.78Å; L1055-F1093 HydrophobicContact CD1-CD2 4.32Å; L1055-F1093 HydrophobicContact CD1-CE1 4.23Å; L1055-F1093 HydrophobicContact CD1-CE2 4.02Å; L1055-F1093 HydrophobicContact CD1-CZ 3.98Å; L1055-F1093 HydrophobicContact CG-CZ 4.47Å; L1055-V1125 HydrophobicContact CD2-CG1 3.88Å
1056Q89.9Confident89.5Confident45 Ų4542.7 Ų42.721%0.2122%0.216CC..Hα-helixtrans-68.4-39.2175.4-67.2-56-26.700111.9N1052 V1053 L1058 L1059 H1060N1052-Q1056 VanDerWaalsContact O-CG 3.27Å; N1052-Q1056 WeakPolarHBondContact O-CG 3.4Å; N1052-Q1056 PolarHBondContact O-N 3.42Å; N1052-Q1056 PolarHBondContact OD1-NE2 3.13Å; V1053-Q1056 PolarHBondContact O-N 3.39Å; Q1056-L1058 VanDerWaalsContact C-N 3.34Å; Q1056-L1059 CarbonylContact O-C 3.31Å; Q1056-L1059 WeakPolarHBondContact O-CA 3.28Å; Q1056-L1059 WeakPolarHBondContact O-CB 3.5Å; Q1056-L1059 PolarHBondContact O-N 3Å; Q1056-H1060 PolarHBondContact O-N 3.46Å
1057V89.9Confident89.4Confident9 Ų944.9 Ų44.96%0.05523%0.226CC..Hα-helixtrans-60.2-47.7172.6169.90000109.8F1012 F1020 V1053 L1054 L1059 H1060 K1061 H1063 M1070F1012-V1057 WeakPolarHBondContact O-CG2 3.43Å; F1020-V1057 HydrophobicContact CE2-CG1 4.1Å; F1020-V1057 HydrophobicContact CE2-CG2 4.24Å; F1020-V1057 HydrophobicContact CZ-CG1 4.12Å; V1053-V1057 HydrophobicContact CG1-CG2 4.34Å; V1053-V1057 VanDerWaalsContact O-CG2 3.29Å; V1053-V1057 WeakPolarHBondContact O-CG2 3.29Å; V1053-V1057 PolarHBondContact O-N 3.28Å; L1054-V1057 PolarHBondContact O-N 2.87Å; V1057-L1059 PolarHBondContact O-N 3.32Å; V1057-H1060 PolarHBondContact O-N 2.9Å; V1057-H1060 VanDerWaalsContact O-N 3.14Å; V1057-K1061 PolarHBondContact O-N 3.01Å; V1057-K1061 VanDerWaalsContact O-N 3.12Å; V1057-H1063 HydrophobicContact CG1-CB 4.24Å; V1057-M1070 HydrophobicContact CB-SD 4.26Å; V1057-M1070 HydrophobicContact CG1-CE 4.18Å; V1057-M1070 HydrophobicContact CG1-SD 3.55Å; V1057-M1070 VanDerWaalsContact CG1-SD 3.55Å
1058L89.3Confident89.3Confident6 Ų651.2 Ų51.23%0.03125%0.254CS..Hα-helixtrans-61.4-23.2171.6-75.5177.4000113.1L1054 L1055 Q1056 Q1067 M1070 I1074 V1125 V1129 R1133L1054-L1058 WeakPolarHBondContact O-CB 3.42Å; L1054-L1058 WeakPolarHBondContact O-CG 3.33Å; L1054-L1058 PolarHBondContact O-N 2.98Å; L1055-L1058 HydrophobicContact CD2-CD1 4.42Å; L1055-L1058 CarbonylContact O-C 3.6Å; L1055-L1058 PolarHBondContact O-N 3.21Å; Q1056-L1058 VanDerWaalsContact C-N 3.34Å; L1058-Q1067 HydrophobicContact CD2-CB 4.37Å; L1058-Q1067 HydrophobicContact CD2-CG 3.86Å; L1058-M1070 HydrophobicContact CD1-CB 4.44Å; L1058-M1070 HydrophobicContact CD2-CB 4.26Å; L1058-M1070 HydrophobicContact CD2-CE 3.58Å; L1058-M1070 HydrophobicContact CD2-SD 4.24Å; L1058-M1070 HydrophobicContact CG-CB 4.34Å; L1058-M1070 HydrophobicContact CG-CE 4.23Å; L1058-M1070 HydrophobicContact CG-SD 4.27Å; L1058-I1074 HydrophobicContact CD1-CD1 3.5Å; L1058-I1074 VanDerWaalsContact CD1-CD1 3.5Å; L1058-V1125 HydrophobicContact CD1-CG1 4.26Å; L1058-V1129 HydrophobicContact CB-CG2 4.13Å; L1058-V1129 WeakPolarHBondContact O-CG1 3.47Å; L1058-R1133 VanDerWaalsContact O-CZ 3.3Å; L1058-R1133 PolarHBondContact O-NH2 2.93Å
1059L87.1Confident89.4Confident8 Ų851.1 Ų51.14%0.04226%0.255CS..Hα-helixtrans-85.8-24.8174.3-76.8168.6000113.2L1055 Q1056 V1057 F1093 V1129 L1132 R1133L1055-L1059 WeakPolarHBondContact O-CB 3.24Å; L1055-L1059 VanDerWaalsContact O-CG 3.25Å; L1055-L1059 WeakPolarHBondContact O-CG 3.25Å; L1055-L1059 PolarHBondContact O-N 3.19Å; Q1056-L1059 CarbonylContact O-C 3.31Å; Q1056-L1059 WeakPolarHBondContact O-CA 3.28Å; Q1056-L1059 WeakPolarHBondContact O-CB 3.5Å; Q1056-L1059 PolarHBondContact O-N 3Å; V1057-L1059 PolarHBondContact O-N 3.32Å; L1059-F1093 HydrophobicContact CD1-CZ 3.84Å; L1059-V1129 HydrophobicContact CD2-CB 4.34Å; L1059-V1129 HydrophobicContact CD2-CG1 4.14Å; L1059-V1129 HydrophobicContact CD2-CG2 4.37Å; L1059-L1132 HydrophobicContact CD1-CD1 4.32Å; L1059-L1132 HydrophobicContact CD2-CB 3.77Å; L1059-L1132 HydrophobicContact CD2-CD1 4.03Å; L1059-R1133 HydrophobicContact CD2-CG 4.3Å; L1059-R1133 PolarHBondContact O-NE 3.09Å; L1059-R1133 PolarHBondContact O-NH2 3.48Å; L1059-R1133 VanDerWaalsContact O-NH2 3.16Å
1060H86.3Confident89.5Confident131 Ų13145.7 Ų45.761%0.60623%0.23SC*.Hα-helixtrans-96.6-8.7-178-70.1179000114.8Q1056 V1057 S1062Q1056-H1060 PolarHBondContact O-N 3.46Å; V1057-H1060 PolarHBondContact O-N 2.9Å; V1057-H1060 VanDerWaalsContact O-N 3.14Å; H1060-S1062 PolarHBondContact O-N 3.42Å
1061K83.3Confident89.4Confident87 Ų8745.2 Ų45.238%0.37823%0.228SC..THydrogen-bonded Turntrans60.422.1-175.5-68.6-152.8168.6-140.60114.9E163 V1057 H1063 D1064E163-K1061 WeakPolarHBondContact OE1-CE 3.42Å; E163-K1061 IonicContact OE1-NZ 3.45Å; E163-K1061 PolarHBondContact OE1-NZ 3.27Å; E163-K1061 WeakPolarHBondContact OE2-CE 3.15Å; E163-K1061 IonicContact OE2-NZ 2.93Å; V1057-K1061 PolarHBondContact O-N 3.01Å; V1057-K1061 VanDerWaalsContact O-N 3.12Å; K1061-H1063 PolarHBondContact O-N 3.5Å; K1061-D1064 IonicContact NZ-OD2 3.69Å; K1061-D1064 PolarHBondContact NZ-OD2 3.37Å
1062S80.3Confident89.4Confident70 Ų7048.7 Ų48.749%0.4925%0.246SC..THydrogen-bonded Turntrans-65.4-29.2-179.450.20000113H1060H1060-S1062 PolarHBondContact O-N 3.42Å
1063H85.1Confident89.5Confident9 Ų946.6 Ų46.64%0.04224%0.235CC..THydrogen-bonded Turntrans-134.851.7-178.1-57.589.8000112.7Q1014 F1020 V1057 K1061 L1065 L1066 M1070Q1014-H1063 PolarHBondContact O-CE1 2.83Å; Q1014-H1063 PolarHBondContact O-NE2 3Å; F1020-H1063 AromaticContact CD2-CE1 3.82Å; F1020-H1063 AromaticContact CD2-ND1 3.86Å; F1020-H1063 AromaticContact CE2-ND1 3.96Å; V1057-H1063 HydrophobicContact CG1-CB 4.24Å; K1061-H1063 PolarHBondContact O-N 3.5Å; H1063-L1065 PolarHBondContact O-N 3.49Å; H1063-L1065 VanDerWaalsContact O-N 3.12Å; H1063-L1066 PolarHBondContact O-N 3.39Å; H1063-M1070 HydrophobicContact CB-CE 4.29Å; H1063-M1070 WeakPolarHBondContact O-CE 3.43Å
1064D84.8Confident89.6Confident67 Ų6745.3 Ų45.336%0.35823%0.227SC..G310 helixtrans-57.5-28.9-174.2-136.127.3000113.1K1061 L1066 Q1067K1061-D1064 IonicContact NZ-OD2 3.69Å; K1061-D1064 PolarHBondContact NZ-OD2 3.37Å; D1064-L1066 PolarHBondContact O-N 2.82Å; D1064-Q1067 WeakPolarHBondContact O-CB 3.41Å; D1064-Q1067 PolarHBondContact O-N 2.71Å
1065L88.3Confident89.6Confident149 Ų14947.4 Ų47.478%0.7824%0.235SC*.G310 helixtrans-63.4-18.3176.1-68174.7000114.2I1017 H1063I1017-L1065 HydrophobicContact CD1-CB 3.81Å; I1017-L1065 HydrophobicContact CD1-CD1 3.76Å; I1017-L1065 HydrophobicContact CD1-CG 4.36Å; H1063-L1065 PolarHBondContact O-N 3.49Å; H1063-L1065 VanDerWaalsContact O-N 3.12Å
1066L88.9Confident89.7Confident6 Ų649 Ų493%0.03124%0.244CC..G310 helixtrans-108.119.9-179.8-58.1178.4000112.5I1017 F1020 K1021 H1063 D1064 E1068 E1069 M1070I1017-L1066 HydrophobicContact CD1-CD1 4.47Å; I1017-L1066 HydrophobicContact CD1-CG 4.24Å; I1017-L1066 HydrophobicContact CG1-CD1 3.77Å; I1017-L1066 HydrophobicContact CG1-CG 4.07Å; F1020-L1066 HydrophobicContact CB-CD1 4.3Å; F1020-L1066 HydrophobicContact CD1-CD1 3.47Å; F1020-L1066 VanDerWaalsContact CD1-CD1 3.47Å; F1020-L1066 HydrophobicContact CE1-CD1 4.18Å; F1020-L1066 HydrophobicContact CG-CD1 4.18Å; K1021-L1066 HydrophobicContact CB-CD1 3.87Å; K1021-L1066 HydrophobicContact CB-CD2 4.07Å; K1021-L1066 HydrophobicContact CD-CD2 3.85Å; K1021-L1066 HydrophobicContact CG-CD2 3.96Å; H1063-L1066 PolarHBondContact O-N 3.39Å; D1064-L1066 PolarHBondContact O-N 2.82Å; L1066-E1068 VanDerWaalsContact C-N 3.29Å; L1066-E1068 PolarHBondContact O-N 3.44Å; L1066-E1069 WeakPolarHBondContact CA-OE2 3.4Å; L1066-E1069 PolarHBondContact O-N 3.24Å; L1066-M1070 HydrophobicContact CB-CE 4.17Å; L1066-M1070 WeakPolarHBondContact O-CB 3.11Å; L1066-M1070 WeakPolarHBondContact O-CE 3.46Å; L1066-M1070 VanDerWaalsContact O-CG 3.3Å; L1066-M1070 WeakPolarHBondContact O-CG 2.69Å; L1066-M1070 PolarHBondContact O-N 3.48Å
1067Q89.9Confident89.9Confident62 Ų6247 Ų4729%0.2923%0.234SC..Hα-helixtrans-57.9-40.5-174.7-175.5178.419.700112.8L1058 D1064 T1071L1058-Q1067 HydrophobicContact CD2-CB 4.37Å; L1058-Q1067 HydrophobicContact CD2-CG 3.86Å; D1064-Q1067 WeakPolarHBondContact O-CB 3.41Å; D1064-Q1067 PolarHBondContact O-N 2.71Å; Q1067-T1071 WeakPolarHBondContact O-CB 3.13Å; Q1067-T1071 PolarHBondContact O-N 3.08Å; Q1067-T1071 PolarHBondContact O-OG1 2.69Å
1068E89.6Confident90Very high159 Ų15946.6 Ų46.674%0.74323%0.233SC*.Hα-helixtrans-68.4-48.5-179.5-64.8-173.1174.500111.1L1066 M1070 T1071 L1072L1066-E1068 VanDerWaalsContact C-N 3.29Å; L1066-E1068 PolarHBondContact O-N 3.44Å; E1068-M1070 PolarHBondContact O-N 3.11Å; E1068-T1071 PolarHBondContact O-N 2.88Å; E1068-L1072 WeakPolarHBondContact O-CB 3.32Å; E1068-L1072 PolarHBondContact O-N 3.39Å
1069E92.7Very high90.2Very high68 Ų6848.6 Ų48.632%0.31825%0.247SC..Hα-helixtrans-63.5-40.9178.8-61.396.3142.300111.9K1021 L1024 L1066 L1072 A1073K1021-E1069 IonicContact NZ-OE1 3.24Å; L1024-E1069 HydrophobicContact CD2-CB 3.91Å; L1066-E1069 WeakPolarHBondContact CA-OE2 3.4Å; L1066-E1069 PolarHBondContact O-N 3.24Å; E1069-L1072 PolarHBondContact O-N 3.21Å; E1069-A1073 PolarHBondContact O-N 3.25Å
1070M94.3Very high90.3Very high1 Ų149.2 Ų49.21%0.00525%0.251CS..Hα-helixtrans-63.4-42.4175.5-74.5-171.6-76.200112.1F1020 L1024 L1054 V1057 L1058 H1063 L1066 E1068 A1073 I1074F1020-M1070 HydrophobicContact CE1-CG 3.74Å; F1020-M1070 HydrophobicContact CE1-SD 3.79Å; F1020-M1070 HydrophobicContact CZ-CG 4.01Å; F1020-M1070 HydrophobicContact CZ-SD 3.56Å; F1020-M1070 VanDerWaalsContact CZ-SD 3.56Å; L1024-M1070 HydrophobicContact CD2-CG 4.12Å; L1054-M1070 HydrophobicContact CD2-CG 4.28Å; V1057-M1070 HydrophobicContact CB-SD 4.26Å; V1057-M1070 HydrophobicContact CG1-CE 4.18Å; V1057-M1070 HydrophobicContact CG1-SD 3.55Å; V1057-M1070 VanDerWaalsContact CG1-SD 3.55Å; L1058-M1070 HydrophobicContact CD1-CB 4.44Å; L1058-M1070 HydrophobicContact CD2-CB 4.26Å; L1058-M1070 HydrophobicContact CD2-CE 3.58Å; L1058-M1070 HydrophobicContact CD2-SD 4.24Å; L1058-M1070 HydrophobicContact CG-CB 4.34Å; L1058-M1070 HydrophobicContact CG-CE 4.23Å; L1058-M1070 HydrophobicContact CG-SD 4.27Å; H1063-M1070 HydrophobicContact CB-CE 4.29Å; H1063-M1070 WeakPolarHBondContact O-CE 3.43Å; L1066-M1070 HydrophobicContact CB-CE 4.17Å; L1066-M1070 WeakPolarHBondContact O-CB 3.11Å; L1066-M1070 WeakPolarHBondContact O-CE 3.46Å; L1066-M1070 VanDerWaalsContact O-CG 3.3Å; L1066-M1070 WeakPolarHBondContact O-CG 2.69Å; L1066-M1070 PolarHBondContact O-N 3.48Å; E1068-M1070 PolarHBondContact O-N 3.11Å; M1070-A1073 PolarHBondContact O-N 3.27Å; M1070-I1074 VanDerWaalsContact O-CG1 3.3Å; M1070-I1074 WeakPolarHBondContact O-CG1 3.48Å; M1070-I1074 PolarHBondContact O-N 3.32Å
1071T92.5Very high90.4Very high1 Ų145.1 Ų45.11%0.00623%0.233CC..Hα-helixtrans-69.3-38.1-178.9-51.80000111.3Q1067 E1068 I1074 Y1075 T1122 V1125Q1067-T1071 WeakPolarHBondContact O-CB 3.13Å; Q1067-T1071 PolarHBondContact O-N 3.08Å; Q1067-T1071 PolarHBondContact O-OG1 2.69Å; E1068-T1071 PolarHBondContact O-N 2.88Å; T1071-I1074 PolarHBondContact O-N 2.91Å; T1071-Y1075 PolarHBondContact O-N 3.06Å; T1071-T1122 HydrophobicContact CG2-CG2 3.68Å; T1071-V1125 HydrophobicContact CG2-CB 4.16Å; T1071-V1125 HydrophobicContact CG2-CG1 4.19Å
1072L94.1Very high90.8Very high72 Ų7242.2 Ų42.238%0.37722%0.221SC..Hα-helixtrans-60.7-43.6172.6-179.663.3000111.7E1068 E1069 Y1075 N1076 L1118E1068-L1072 WeakPolarHBondContact O-CB 3.32Å; E1068-L1072 PolarHBondContact O-N 3.39Å; E1069-L1072 PolarHBondContact O-N 3.21Å; L1072-Y1075 WeakPolarHBondContact O-CB 3.47Å; L1072-Y1075 PolarHBondContact O-N 3Å; L1072-N1076 PolarHBondContact O-N 3.39Å; L1072-L1118 HydrophobicContact CD1-CD1 3.73Å; L1072-L1118 HydrophobicContact CD1-CD2 3.76Å; L1072-L1118 HydrophobicContact CD1-CG 4.42Å
1073A94.4Very high91.1Very high0 Ų044.9 Ų44.90%023%0.23CC..Hα-helixtrans-64.5-42.417700000112.4L1024 E1028 L1054 E1069 M1070 Y1075 N1076 M1077L1024-A1073 HydrophobicContact CD1-CB 3.67Å; L1024-A1073 HydrophobicContact CG-CB 4.37Å; E1028-A1073 HydrophobicContact CG-CB 4.49Å; E1028-A1073 WeakPolarHBondContact OE1-CA 3.38Å; E1028-A1073 WeakPolarHBondContact OE1-CB 3.25Å; L1054-A1073 HydrophobicContact CD1-CB 4.13Å; E1069-A1073 PolarHBondContact O-N 3.25Å; M1070-A1073 PolarHBondContact O-N 3.27Å; A1073-Y1075 VanDerWaalsContact C-N 3.31Å; A1073-Y1075 PolarHBondContact O-N 3.49Å; A1073-N1076 PolarHBondContact O-N 3.09Å; A1073-M1077 WeakPolarHBondContact O-CG 3.12Å; A1073-M1077 PolarHBondContact O-N 3.46Å
1074I94.8Very high91.3Very high0 Ų046.1 Ų46.10%024%0.242CC..Hα-helixtrans-59.1-43.6174-69162.7000110.6I1051 L1054 L1055 L1058 M1070 T1071 M1077 A1078 F1121I1051-I1074 HydrophobicContact CG2-CG2 4.27Å; L1054-I1074 HydrophobicContact CB-CD1 3.86Å; L1054-I1074 HydrophobicContact CB-CG1 3.82Å; L1054-I1074 HydrophobicContact CD1-CG1 4.04Å; L1055-I1074 HydrophobicContact CD2-CD1 3.81Å; L1055-I1074 HydrophobicContact CG-CD1 4Å; L1058-I1074 HydrophobicContact CD1-CD1 3.5Å; L1058-I1074 VanDerWaalsContact CD1-CD1 3.5Å; M1070-I1074 VanDerWaalsContact O-CG1 3.3Å; M1070-I1074 WeakPolarHBondContact O-CG1 3.48Å; M1070-I1074 PolarHBondContact O-N 3.32Å; T1071-I1074 PolarHBondContact O-N 2.91Å; I1074-M1077 PolarHBondContact O-N 3.35Å; I1074-A1078 VanDerWaalsContact O-CB 3.31Å; I1074-A1078 WeakPolarHBondContact O-CB 3.5Å; I1074-A1078 PolarHBondContact O-N 3.49Å; I1074-F1121 HydrophobicContact CG2-CE1 3.99Å; I1074-F1121 HydrophobicContact CG2-CZ 4.07Å
1075Y95.1Very high91.6Very high44 Ų4443.3 Ų43.317%0.17323%0.226CC..Hα-helixtrans-60.6-48.2175.4171.8-93.5000111.6T1071 L1072 A1073 M1077 A1078 S1079 F1082 Q1116 L1118 F1121T1071-Y1075 PolarHBondContact O-N 3.06Å; L1072-Y1075 WeakPolarHBondContact O-CB 3.47Å; L1072-Y1075 PolarHBondContact O-N 3Å; A1073-Y1075 VanDerWaalsContact C-N 3.31Å; A1073-Y1075 PolarHBondContact O-N 3.49Å; Y1075-M1077 VanDerWaalsContact C-N 3.29Å; Y1075-M1077 PolarHBondContact O-N 2.99Å; Y1075-A1078 PolarHBondContact O-N 3.2Å; Y1075-A1078 VanDerWaalsContact O-N 3.17Å; Y1075-S1079 WeakPolarHBondContact O-CB 3.45Å; Y1075-S1079 PolarHBondContact O-N 2.96Å; Y1075-F1082 HydrophobicContact CD2-CZ 4.38Å; Y1075-F1082 AromaticContact CE2-CZ 3.9Å; Y1075-F1082 HydrophobicContact CE2-CZ 3.9Å; Y1075-Q1116 WeakPolarHBondContact CE2-O 3.46Å; Y1075-Q1116 PolarHBondContact OH-O 2.82Å; Y1075-L1118 HydrophobicContact CD1-CB 4.38Å; Y1075-L1118 HydrophobicContact CD1-CD1 3.58Å; Y1075-L1118 HydrophobicContact CD2-CB 4.38Å; Y1075-L1118 HydrophobicContact CD2-CD1 3.98Å; Y1075-L1118 HydrophobicContact CE1-CB 4.09Å; Y1075-L1118 HydrophobicContact CE1-CD1 4.14Å; Y1075-L1118 HydrophobicContact CE2-CB 4.07Å; Y1075-L1118 HydrophobicContact CE2-CD1 4.47Å; Y1075-L1118 HydrophobicContact CG-CD1 3.47Å; Y1075-L1118 VanDerWaalsContact CG-CD1 3.47Å; Y1075-F1121 HydrophobicContact CD2-CB 3.87Å; Y1075-F1121 AromaticContact CD2-CD1 3.66Å; Y1075-F1121 HydrophobicContact CD2-CD1 3.66Å; Y1075-F1121 HydrophobicContact CD2-CD2 4.43Å; Y1075-F1121 HydrophobicContact CD2-CE1 4.29Å; Y1075-F1121 AromaticContact CD2-CG 3.73Å; Y1075-F1121 HydrophobicContact CD2-CG 3.73Å; Y1075-F1121 HydrophobicContact CE2-CB 4.31Å; Y1075-F1121 HydrophobicContact CG-CD1 4.2Å
1076N93.3Very high91.6Very high36 Ų3637.8 Ų37.819%0.19320%0.195CC..Hα-helixtrans-61.7-38179.7-73.1-20.6000111.9E1028 Y1037 L1072 A1073 S1079E1028-N1076 PolarHBondContact OE2-ND2 3.29Å; Y1037-N1076 HydrophobicContact CD2-CB 4.41Å; Y1037-N1076 HydrophobicContact CE2-CB 4.02Å; L1072-N1076 PolarHBondContact O-N 3.39Å; A1073-N1076 PolarHBondContact O-N 3.09Å; N1076-S1079 PolarHBondContact O-OG 2.66Å
1077M94.4Very high91.6Very high1 Ų141.4 Ų41.41%0.00522%0.221CC..Hα-helixtrans-69.6-40.7173.8-66.5-179.9-166.500112.6Y1037 F1050 I1051 L1054 A1073 I1074 Y1075 S1079Y1037-M1077 HydrophobicContact CD1-CG 4.31Å; Y1037-M1077 HydrophobicContact CD2-CB 4.34Å; Y1037-M1077 HydrophobicContact CD2-CG 3.7Å; Y1037-M1077 HydrophobicContact CE1-CE 3.93Å; Y1037-M1077 HydrophobicContact CE1-CG 4.13Å; Y1037-M1077 HydrophobicContact CE2-CB 4.48Å; Y1037-M1077 HydrophobicContact CE2-CE 4.31Å; Y1037-M1077 HydrophobicContact CE2-CG 3.49Å; Y1037-M1077 VanDerWaalsContact CE2-CG 3.49Å; Y1037-M1077 HydrophobicContact CG-CG 4.12Å; Y1037-M1077 WeakPolarHBondContact OH-CE 3.14Å; F1050-M1077 HydrophobicContact CB-CE 4.05Å; F1050-M1077 HydrophobicContact CB-SD 3.82Å; I1051-M1077 HydrophobicContact CD1-CB 3.79Å; I1051-M1077 HydrophobicContact CG1-CB 3.72Å; I1051-M1077 HydrophobicContact CG1-CG 4.41Å; I1051-M1077 HydrophobicContact CG1-SD 3.8Å; L1054-M1077 HydrophobicContact CD1-CE 4.12Å; L1054-M1077 HydrophobicContact CD1-SD 4.48Å; A1073-M1077 WeakPolarHBondContact O-CG 3.12Å; A1073-M1077 PolarHBondContact O-N 3.46Å; I1074-M1077 PolarHBondContact O-N 3.35Å; Y1075-M1077 VanDerWaalsContact C-N 3.29Å; Y1075-M1077 PolarHBondContact O-N 2.99Å; M1077-S1079 VanDerWaalsContact C-N 3.34Å
1078A91.9Very high91.6Very high2 Ų241.9 Ų41.92%0.01723%0.228CC..Hα-helixtrans-66.4-35.5176.600000112.3I1074 Y1075 V1080 D1081 F1082 F1085 F1121I1074-A1078 VanDerWaalsContact O-CB 3.31Å; I1074-A1078 WeakPolarHBondContact O-CB 3.5Å; I1074-A1078 PolarHBondContact O-N 3.49Å; Y1075-A1078 PolarHBondContact O-N 3.2Å; Y1075-A1078 VanDerWaalsContact O-N 3.17Å; A1078-V1080 PolarHBondContact O-N 3.25Å; A1078-V1080 VanDerWaalsContact O-N 3.11Å; A1078-D1081 CarbonylContact O-C 3.57Å; A1078-D1081 VanDerWaalsContact O-C 3.23Å; A1078-D1081 PolarHBondContact O-N 2.58Å; A1078-D1081 VanDerWaalsContact O-N 3.14Å; A1078-F1082 HydrophobicContact CB-CD1 4.27Å; A1078-F1082 HydrophobicContact CB-CE1 4.03Å; A1078-F1082 PolarHBondContact O-N 3.02Å; A1078-F1085 HydrophobicContact CB-CB 4.38Å; A1078-F1085 HydrophobicContact CB-CD1 4.29Å; A1078-F1085 HydrophobicContact CB-CD2 3.65Å; A1078-F1085 HydrophobicContact CB-CE2 3.91Å; A1078-F1085 HydrophobicContact CB-CG 3.85Å; A1078-F1085 HydrophobicContact CB-CZ 4.35Å; A1078-F1121 HydrophobicContact CB-CE2 4.13Å; A1078-F1121 HydrophobicContact CB-CZ 3.85Å
1079S92.3Very high91.6Very high47 Ų4734.8 Ų34.833%0.32920%0.195SC..THydrogen-bonded Turntrans-63.4-17-178.676.40000114.6Y1075 N1076 M1077 D1081Y1075-S1079 WeakPolarHBondContact O-CB 3.45Å; Y1075-S1079 PolarHBondContact O-N 2.96Å; N1076-S1079 PolarHBondContact O-OG 2.66Å; M1077-S1079 VanDerWaalsContact C-N 3.34Å; S1079-D1081 VanDerWaalsContact C-N 3.28Å; S1079-D1081 PolarHBondContact O-N 2.89Å
1080V90.1Very high91.5Very high21 Ų2132 Ų3213%0.12718%0.182CC..THydrogen-bonded Turntrans-64-37175.5176.50000111.3Y1037 R1043 L1047 A1078Y1037-V1080 HydrophobicContact CG-CG2 4.46Å; R1043-V1080 HydrophobicContact CG-CG1 4.48Å; L1047-V1080 HydrophobicContact CD1-CB 4.38Å; L1047-V1080 HydrophobicContact CD1-CG2 4.48Å; A1078-V1080 PolarHBondContact O-N 3.25Å; A1078-V1080 VanDerWaalsContact O-N 3.11Å
1081D89Confident91.2Very high45 Ų4534.6 Ų34.624%0.24120%0.199CC..  trans-160.884.8178.9-171.1-14.7000109.6R1043 A1078 S1079 D1083 A1084 F1085R1043-D1081 IonicContact CZ-OD2 2.87Å; R1043-D1081 IonicContact NE-OD2 2.72Å; R1043-D1081 IonicContact NH2-OD2 2.57Å; R1043-D1081 PolarHBondContact NH2-OD2 3.34Å; A1078-D1081 CarbonylContact O-C 3.57Å; A1078-D1081 VanDerWaalsContact O-C 3.23Å; A1078-D1081 PolarHBondContact O-N 2.58Å; A1078-D1081 VanDerWaalsContact O-N 3.14Å; S1079-D1081 VanDerWaalsContact C-N 3.28Å; S1079-D1081 PolarHBondContact O-N 2.89Å; D1081-D1083 PolarHBondContact O-N 3.22Å; D1081-D1083 PolarHBondContact OD1-N 3.21Å; D1081-A1084 HydrophobicContact CB-CB 4.05Å; D1081-A1084 PolarHBondContact O-N 2.91Å; D1081-A1084 PolarHBondContact OD1-N 3.38Å; D1081-A1084 VanDerWaalsContact OD2-CB 3.32Å; D1081-A1084 WeakPolarHBondContact OD2-CB 3.41Å; D1081-F1085 WeakPolarHBondContact O-CB 3.46Å; D1081-F1085 PolarHBondContact O-N 2.61Å
1082F90.3Very high91.1Very high27 Ų2739.4 Ų39.412%0.11822%0.221CC..Hα-helixtrans-59.5-37.2177.9-79.4-59.5000111.5Y1075 A1078 A1084 F1085 Y1086 Q1116 F1121Y1075-F1082 HydrophobicContact CD2-CZ 4.38Å; Y1075-F1082 AromaticContact CE2-CZ 3.9Å; Y1075-F1082 HydrophobicContact CE2-CZ 3.9Å; A1078-F1082 HydrophobicContact CB-CD1 4.27Å; A1078-F1082 HydrophobicContact CB-CE1 4.03Å; A1078-F1082 PolarHBondContact O-N 3.02Å; F1082-A1084 PolarHBondContact O-N 2.93Å; F1082-F1085 WeakPolarHBondContact O-CB 3.46Å; F1082-F1085 PolarHBondContact O-N 3.14Å; F1082-Y1086 HydrophobicContact CB-CD2 4.1Å; F1082-Y1086 HydrophobicContact CB-CE2 3.97Å; F1082-Y1086 AromaticContact CD1-CE2 3.79Å; F1082-Y1086 HydrophobicContact CD1-CE2 3.79Å; F1082-Y1086 HydrophobicContact CG-CE2 4.22Å; F1082-Y1086 WeakPolarHBondContact O-CD2 3.15Å; F1082-Y1086 PolarHBondContact O-N 3.09Å; F1082-Q1116 HydrophobicContact CD2-CB 4.45Å; F1082-Q1116 HydrophobicContact CD2-CG 3.95Å; F1082-Q1116 HydrophobicContact CE2-CB 4.08Å; F1082-Q1116 HydrophobicContact CE2-CG 4.09Å; F1082-Q1116 HydrophobicContact CG-CG 4.37Å; F1082-Q1116 HydrophobicContact CZ-CB 4.46Å; F1082-F1121 HydrophobicContact CE1-CD2 4.36Å; F1082-F1121 HydrophobicContact CE1-CE2 4.35Å
1083D88.4Confident91Very high125 Ų12536.2 Ų36.267%0.66821%0.205SC*.Hα-helixtrans-62.5-45.9-179-67.5-31.2000110.9D1081 S1087D1081-D1083 PolarHBondContact O-N 3.22Å; D1081-D1083 PolarHBondContact OD1-N 3.21Å; D1083-S1087 VanDerWaalsContact O-CB 3.23Å; D1083-S1087 WeakPolarHBondContact O-CB 3.4Å; D1083-S1087 PolarHBondContact O-N 3.36Å; D1083-S1087 PolarHBondContact O-OG 3.41Å
1084A88.2Confident90.7Very high36 Ų3636.5 Ų36.530%0.29821%0.206SC..Hα-helixtrans-67.5-36.6174.400000112.5D1081 F1082 V1088 F1089D1081-A1084 HydrophobicContact CB-CB 4.05Å; D1081-A1084 PolarHBondContact O-N 2.91Å; D1081-A1084 PolarHBondContact OD1-N 3.38Å; D1081-A1084 VanDerWaalsContact OD2-CB 3.32Å; D1081-A1084 WeakPolarHBondContact OD2-CB 3.41Å; F1082-A1084 PolarHBondContact O-N 2.93Å; A1084-V1088 WeakPolarHBondContact O-CA 3.4Å; A1084-V1088 VanDerWaalsContact O-CB 3.31Å; A1084-V1088 WeakPolarHBondContact O-CB 3.48Å; A1084-V1088 PolarHBondContact O-N 2.88Å; A1084-F1089 PolarHBondContact O-N 3.22Å; A1084-F1089 VanDerWaalsContact O-N 3.08Å
1085F90.6Very high90.3Very high8 Ų841.3 Ų41.34%0.03523%0.232CC..Iπ-helixtrans-59.5-48.1175.8179.1-93000111.4I1051 A1078 D1081 F1082 F1089 M1090 F1112 F1121I1051-F1085 HydrophobicContact CD1-CD2 4.09Å; I1051-F1085 HydrophobicContact CD1-CE2 4.23Å; I1051-F1085 HydrophobicContact CG2-CE2 4.04Å; A1078-F1085 HydrophobicContact CB-CB 4.38Å; A1078-F1085 HydrophobicContact CB-CD1 4.29Å; A1078-F1085 HydrophobicContact CB-CD2 3.65Å; A1078-F1085 HydrophobicContact CB-CE2 3.91Å; A1078-F1085 HydrophobicContact CB-CG 3.85Å; A1078-F1085 HydrophobicContact CB-CZ 4.35Å; D1081-F1085 WeakPolarHBondContact O-CB 3.46Å; D1081-F1085 PolarHBondContact O-N 2.61Å; F1082-F1085 WeakPolarHBondContact O-CB 3.46Å; F1082-F1085 PolarHBondContact O-N 3.14Å; F1085-F1089 HydrophobicContact CD2-CB 4.34Å; F1085-F1089 AromaticContact CD2-CD1 3.79Å; F1085-F1089 HydrophobicContact CD2-CD1 3.79Å; F1085-F1089 HydrophobicContact CD2-CE1 4.5Å; F1085-F1089 HydrophobicContact CD2-CG 4.18Å; F1085-F1089 AromaticContact CE2-CD1 3.56Å; F1085-F1089 HydrophobicContact CE2-CD1 3.56Å; F1085-F1089 AromaticContact CE2-CE1 3.88Å; F1085-F1089 HydrophobicContact CE2-CE1 3.88Å; F1085-F1089 HydrophobicContact CE2-CG 4.36Å; F1085-F1089 HydrophobicContact CZ-CD1 4.18Å; F1085-F1089 HydrophobicContact CZ-CE1 4.41Å; F1085-F1089 WeakPolarHBondContact O-CB 3.46Å; F1085-F1089 PolarHBondContact O-N 3.3Å; F1085-M1090 HydrophobicContact CE1-CE 3.64Å; F1085-M1090 HydrophobicContact CZ-CE 3.71Å; F1085-M1090 PolarHBondContact O-N 3.23Å; F1085-F1112 AromaticContact CE1-CE1 3.96Å; F1085-F1112 HydrophobicContact CE1-CE1 3.96Å; F1085-F1112 HydrophobicContact CE1-CZ 4.27Å; F1085-F1121 HydrophobicContact CD1-CE2 4.49Å; F1085-F1121 AromaticContact CE1-CE2 3.84Å; F1085-F1121 HydrophobicContact CE1-CE2 3.84Å; F1085-F1121 HydrophobicContact CE1-CZ 4.15Å; F1085-F1121 HydrophobicContact CZ-CE2 4.14Å; F1085-F1121 AromaticContact CZ-CZ 3.95Å; F1085-F1121 HydrophobicContact CZ-CZ 3.95Å
1086Y90Very high89.9Confident32 Ų3242 Ų4213%0.12525%0.252CS..Iπ-helixtrans-77.1-39.7-177.7-70.1-63.7000113.6F1082 P1091 F1112 L1114 E1115F1082-Y1086 HydrophobicContact CB-CD2 4.1Å; F1082-Y1086 HydrophobicContact CB-CE2 3.97Å; F1082-Y1086 AromaticContact CD1-CE2 3.79Å; F1082-Y1086 HydrophobicContact CD1-CE2 3.79Å; F1082-Y1086 HydrophobicContact CG-CE2 4.22Å; F1082-Y1086 WeakPolarHBondContact O-CD2 3.15Å; F1082-Y1086 PolarHBondContact O-N 3.09Å; Y1086-P1091 WeakPolarHBondContact O-CD 3.33Å; Y1086-F1112 HydrophobicContact CD1-CD1 4.21Å; Y1086-F1112 HydrophobicContact CD1-CE1 4.28Å; Y1086-F1112 AromaticContact CE1-CD1 3.66Å; Y1086-F1112 HydrophobicContact CE1-CD1 3.66Å; Y1086-F1112 AromaticContact CE1-CE1 3.5Å; Y1086-F1112 HydrophobicContact CE1-CE1 3.5Å; Y1086-F1112 VanDerWaalsContact CE1-CE1 3.5Å; Y1086-L1114 HydrophobicContact CD1-CD2 3.37Å; Y1086-L1114 HydrophobicContact CD2-CD2 3.77Å; Y1086-L1114 HydrophobicContact CE1-CD2 3.86Å; Y1086-L1114 HydrophobicContact CE2-CD2 4.3Å; Y1086-L1114 HydrophobicContact CG-CD2 3.33Å; Y1086-E1115 PolarHBondContact OH-N 2.94Å; Y1086-E1115 PolarHBondContact OH-O 3.47Å
1087S88.6Confident89.5Confident83 Ų8340.4 Ų40.458%0.5824%0.244SC*.Iπ-helixtrans-86.3-26.7-175.265.60000114.3D1083D1083-S1087 VanDerWaalsContact O-CB 3.23Å; D1083-S1087 WeakPolarHBondContact O-CB 3.4Å; D1083-S1087 PolarHBondContact O-N 3.36Å; D1083-S1087 PolarHBondContact O-OG 3.41Å
1088V88.9Confident88.9Confident71 Ų7148.2 Ų48.243%0.4328%0.28SS..Iπ-helixtrans-118.1-57-174.3-175.30000111.9A1084 P1091 Q1092A1084-V1088 WeakPolarHBondContact O-CA 3.4Å; A1084-V1088 VanDerWaalsContact O-CB 3.31Å; A1084-V1088 WeakPolarHBondContact O-CB 3.48Å; A1084-V1088 PolarHBondContact O-N 2.88Å; V1088-P1091 WeakPolarHBondContact O-CD 3.16Å; V1088-Q1092 WeakPolarHBondContact O-CB 3.47Å; V1088-Q1092 VanDerWaalsContact O-CG 3.25Å; V1088-Q1092 WeakPolarHBondContact O-CG 3.49Å; V1088-Q1092 PolarHBondContact O-N 3.05Å
1089F90.4Very high88.3Confident11 Ų1150.1 Ų50.15%0.04830%0.3CS..Iπ-helixtrans-63.9-53.5-174.1173.4-88.6000111.7F1048 I1051 N1052 L1055 A1084 F1085 Q1092 F1093F1048-F1089 AromaticContact CD2-CD2 3.35Å; F1048-F1089 HydrophobicContact CD2-CD2 3.35Å; F1048-F1089 AromaticContact CD2-CE2 3.83Å; F1048-F1089 HydrophobicContact CD2-CE2 3.83Å; F1048-F1089 HydrophobicContact CD2-CG 4.39Å; F1048-F1089 AromaticContact CE2-CD2 3.6Å; F1048-F1089 HydrophobicContact CE2-CD2 3.6Å; F1048-F1089 AromaticContact CE2-CE2 3.9Å; F1048-F1089 HydrophobicContact CE2-CE2 3.9Å; F1048-F1089 HydrophobicContact CE2-CG 4.47Å; F1048-F1089 HydrophobicContact CG-CD2 4.08Å; F1048-F1089 HydrophobicContact CG-CE2 4.24Å; F1048-F1089 HydrophobicContact CZ-CE2 4.41Å; I1051-F1089 HydrophobicContact CB-CE2 3.83Å; I1051-F1089 HydrophobicContact CB-CZ 3.86Å; I1051-F1089 HydrophobicContact CG2-CD1 4.32Å; I1051-F1089 HydrophobicContact CG2-CD2 4.45Å; I1051-F1089 HydrophobicContact CG2-CE1 3.55Å; I1051-F1089 HydrophobicContact CG2-CE2 3.71Å; I1051-F1089 HydrophobicContact CG2-CZ 3.22Å; N1052-F1089 HydrophobicContact CB-CE2 4.39Å; L1055-F1089 HydrophobicContact CD1-CE1 3.73Å; L1055-F1089 HydrophobicContact CD1-CZ 3.86Å; A1084-F1089 PolarHBondContact O-N 3.22Å; A1084-F1089 VanDerWaalsContact O-N 3.08Å; F1085-F1089 HydrophobicContact CD2-CB 4.34Å; F1085-F1089 AromaticContact CD2-CD1 3.79Å; F1085-F1089 HydrophobicContact CD2-CD1 3.79Å; F1085-F1089 HydrophobicContact CD2-CE1 4.5Å; F1085-F1089 HydrophobicContact CD2-CG 4.18Å; F1085-F1089 AromaticContact CE2-CD1 3.56Å; F1085-F1089 HydrophobicContact CE2-CD1 3.56Å; F1085-F1089 AromaticContact CE2-CE1 3.88Å; F1085-F1089 HydrophobicContact CE2-CE1 3.88Å; F1085-F1089 HydrophobicContact CE2-CG 4.36Å; F1085-F1089 HydrophobicContact CZ-CD1 4.18Å; F1085-F1089 HydrophobicContact CZ-CE1 4.41Å; F1085-F1089 WeakPolarHBondContact O-CB 3.46Å; F1085-F1089 PolarHBondContact O-N 3.3Å; F1089-Q1092 PolarHBondContact O-N 3.33Å; F1089-Q1092 VanDerWaalsContact O-N 3.16Å; F1089-F1093 HydrophobicContact CD1-CB 4.46Å; F1089-F1093 HydrophobicContact CE1-CB 3.97Å; F1089-F1093 HydrophobicContact CE1-CD2 4.48Å; F1089-F1093 HydrophobicContact CE1-CG 4.21Å; F1089-F1093 HydrophobicContact CZ-CB 4.07Å; F1089-F1093 HydrophobicContact CZ-CD2 4.07Å; F1089-F1093 HydrophobicContact CZ-CG 4.22Å; F1089-F1093 WeakPolarHBondContact O-CB 3.28Å; F1089-F1093 PolarHBondContact O-N 2.98Å
1090M89.6Confident87.9Confident8 Ų848.5 Ų48.54%0.03929%0.288CS..Hα-helixtrans-60.2-46.8-173.9-171.965.166.400112.8F1085 Q1092 F1093 L1094 F1112 L1128F1085-M1090 HydrophobicContact CE1-CE 3.64Å; F1085-M1090 HydrophobicContact CZ-CE 3.71Å; F1085-M1090 PolarHBondContact O-N 3.23Å; M1090-Q1092 PolarHBondContact O-N 3.2Å; M1090-F1093 PolarHBondContact O-N 2.84Å; M1090-L1094 HydrophobicContact CG-CD1 4.2Å; M1090-L1094 WeakPolarHBondContact O-CG 3.28Å; M1090-L1094 PolarHBondContact O-N 3.33Å; M1090-L1094 HydrophobicContact SD-CD1 4.43Å; M1090-L1094 HydrophobicContact SD-CG 4.37Å; M1090-F1112 HydrophobicContact CE-CD1 3.77Å; M1090-F1112 HydrophobicContact CE-CD2 4.03Å; M1090-F1112 HydrophobicContact CE-CE1 3.56Å; M1090-F1112 HydrophobicContact CE-CE2 3.82Å; M1090-F1112 HydrophobicContact CE-CG 4Å; M1090-F1112 HydrophobicContact CE-CZ 3.58Å; M1090-L1128 HydrophobicContact CE-CD2 3.99Å; M1090-L1128 HydrophobicContact SD-CD2 3.77Å
1091P89.3Confident87.6Confident57 Ų5748.8 Ų48.837%0.3729%0.289SS..Hα-helixtrans-61.1-40.3174.5-25.636.4000113.3Y1086 V1088 N1095Y1086-P1091 WeakPolarHBondContact O-CD 3.33Å; V1088-P1091 WeakPolarHBondContact O-CD 3.16Å; P1091-N1095 VanDerWaalsContact O-CB 3.31Å; P1091-N1095 WeakPolarHBondContact O-CB 3.48Å; P1091-N1095 VanDerWaalsContact O-CG 3.23Å; P1091-N1095 PolarHBondContact O-N 3.04Å; P1091-N1095 PolarHBondContact O-ND2 3.22Å; P1091-N1095 VanDerWaalsContact O-ND2 3.09Å
1092Q90.7Very high87.3Confident101 Ų10151.3 Ų51.347%0.47231%0.31SS..Hα-helixtrans-66.9-43.3178.1-73.1178.6-0.100111.9F1048 V1088 F1089 M1090 N1095 G1096F1048-Q1092 HydrophobicContact CE2-CB 3.98Å; F1048-Q1092 HydrophobicContact CZ-CB 4.35Å; V1088-Q1092 WeakPolarHBondContact O-CB 3.47Å; V1088-Q1092 VanDerWaalsContact O-CG 3.25Å; V1088-Q1092 WeakPolarHBondContact O-CG 3.49Å; V1088-Q1092 PolarHBondContact O-N 3.05Å; F1089-Q1092 PolarHBondContact O-N 3.33Å; F1089-Q1092 VanDerWaalsContact O-N 3.16Å; M1090-Q1092 PolarHBondContact O-N 3.2Å; Q1092-N1095 PolarHBondContact O-N 3.22Å; Q1092-G1096 PolarHBondContact O-N 2.96Å
1093F90.1Very high87Confident6 Ų654.6 Ų54.63%0.02633%0.329CS..Hα-helixtrans-60.1-48.5176.4176.2-100.1000111.8N1052 L1055 L1059 F1089 M1090 N1095 G1096 C1097 L1128 L1132N1052-F1093 VanDerWaalsContact OD1-CD2 3.31Å; N1052-F1093 WeakPolarHBondContact OD1-CD2 3.38Å; N1052-F1093 WeakPolarHBondContact OD1-CE2 3.3Å; L1055-F1093 HydrophobicContact CB-CE2 3.81Å; L1055-F1093 HydrophobicContact CB-CZ 3.78Å; L1055-F1093 HydrophobicContact CD1-CD2 4.32Å; L1055-F1093 HydrophobicContact CD1-CE1 4.23Å; L1055-F1093 HydrophobicContact CD1-CE2 4.02Å; L1055-F1093 HydrophobicContact CD1-CZ 3.98Å; L1055-F1093 HydrophobicContact CG-CZ 4.47Å; L1059-F1093 HydrophobicContact CD1-CZ 3.84Å; F1089-F1093 HydrophobicContact CD1-CB 4.46Å; F1089-F1093 HydrophobicContact CE1-CB 3.97Å; F1089-F1093 HydrophobicContact CE1-CD2 4.48Å; F1089-F1093 HydrophobicContact CE1-CG 4.21Å; F1089-F1093 HydrophobicContact CZ-CB 4.07Å; F1089-F1093 HydrophobicContact CZ-CD2 4.07Å; F1089-F1093 HydrophobicContact CZ-CG 4.22Å; F1089-F1093 WeakPolarHBondContact O-CB 3.28Å; F1089-F1093 PolarHBondContact O-N 2.98Å; M1090-F1093 PolarHBondContact O-N 2.84Å; F1093-N1095 VanDerWaalsContact C-N 3.35Å; F1093-N1095 PolarHBondContact O-N 3.32Å; F1093-G1096 PolarHBondContact O-N 3.16Å; F1093-C1097 PolarHBondContact O-N 3.38Å; F1093-C1097 VanDerWaalsContact O-N 3.11Å; F1093-C1097 PolarHBondContact O-SG 3.36Å; F1093-L1128 HydrophobicContact CE1-CD2 4.5Å; F1093-L1132 HydrophobicContact CE1-CD1 4.01Å
1094L88.6Confident86.8Confident5 Ų549.1 Ų49.13%0.02630%0.299CS..Hα-helixtrans-64.8-37.6178-70.4176.3000112.4M1090 G1096 C1097 R1105 L1108 A1109 L1128 L1132M1090-L1094 HydrophobicContact CG-CD1 4.2Å; M1090-L1094 WeakPolarHBondContact O-CG 3.28Å; M1090-L1094 PolarHBondContact O-N 3.33Å; M1090-L1094 HydrophobicContact SD-CD1 4.43Å; M1090-L1094 HydrophobicContact SD-CG 4.37Å; L1094-G1096 VanDerWaalsContact C-N 3.31Å; L1094-G1096 PolarHBondContact O-N 2.78Å; L1094-C1097 WeakPolarHBondContact O-CB 3.43Å; L1094-C1097 PolarHBondContact O-N 2.9Å; L1094-R1105 PolarHBondContact O-NE 2.92Å; L1094-L1108 HydrophobicContact CD1-CB 4.43Å; L1094-L1108 HydrophobicContact CD2-CB 4.18Å; L1094-L1108 HydrophobicContact CD2-CD1 4.21Å; L1094-A1109 HydrophobicContact CD1-CB 3.78Å; L1094-L1128 HydrophobicContact CD2-CD1 4.19Å; L1094-L1132 HydrophobicContact CD2-CD1 4.46Å; L1094-L1132 HydrophobicContact CD2-CD2 4.36Å
1095N87.3Confident86.8Confident102 Ų10250.5 Ų50.555%0.54530%0.297SS..Hα-helixtrans-66.6-34174.9-78-31.4000112.8P1091 Q1092 F1093 C1097 R1105P1091-N1095 VanDerWaalsContact O-CB 3.31Å; P1091-N1095 WeakPolarHBondContact O-CB 3.48Å; P1091-N1095 VanDerWaalsContact O-CG 3.23Å; P1091-N1095 PolarHBondContact O-N 3.04Å; P1091-N1095 PolarHBondContact O-ND2 3.22Å; P1091-N1095 VanDerWaalsContact O-ND2 3.09Å; Q1092-N1095 PolarHBondContact O-N 3.22Å; F1093-N1095 VanDerWaalsContact C-N 3.35Å; F1093-N1095 PolarHBondContact O-N 3.32Å; N1095-C1097 VanDerWaalsContact C-N 3.32Å; N1095-R1105 PolarHBondContact O-NH1 3.22Å; N1095-R1105 PolarHBondContact O-NH2 3.31Å
1096G85.2Confident86.5Confident59 Ų5953 Ų5361%0.60832%0.319SS*.Hα-helixtrans-74.9-15.8174.900000114.4Q1092 F1093 L1094 Q1098Q1092-G1096 PolarHBondContact O-N 2.96Å; F1093-G1096 PolarHBondContact O-N 3.16Å; L1094-G1096 VanDerWaalsContact C-N 3.31Å; L1094-G1096 PolarHBondContact O-N 2.78Å; G1096-Q1098 PolarHBondContact O-N 3.17Å
1097C85Confident86.3Confident2 Ų253 Ų531%0.01432%0.322CS..  trans-70.3120178.3-74.90000111.8F1093 L1094 N1095 R1105 L1132F1093-C1097 PolarHBondContact O-N 3.38Å; F1093-C1097 VanDerWaalsContact O-N 3.11Å; F1093-C1097 PolarHBondContact O-SG 3.36Å; L1094-C1097 WeakPolarHBondContact O-CB 3.43Å; L1094-C1097 PolarHBondContact O-N 2.9Å; N1095-C1097 VanDerWaalsContact C-N 3.32Å; C1097-R1105 PolarHBondContact O-NH2 3.4Å; C1097-L1132 HydrophobicContact CB-CD2 4.42Å
1098Q82.1Confident86.2Confident164 Ų16449.1 Ų49.177%0.76630%0.295SS*.THydrogen-bonded Turntrans-80.7155171.4-60.5-173.95.700111.4G1096 R1136G1096-Q1098 PolarHBondContact O-N 3.17Å; Q1098-R1136 PolarHBondContact O-NE 3.09Å; Q1098-R1136 VanDerWaalsContact O-NE 3.08Å
1099G79Confident86.1Confident42 Ų4248.1 Ų48.143%0.43329%0.294SS..THydrogen-bonded Turntrans81.114.8175.900000115.6N1139G1099-N1139 WeakPolarHBondContact O-CB 3.44Å; G1099-N1139 PolarHBondContact O-ND2 3.2Å
1100V84.9Confident85.8Confident13 Ų1356.6 Ų56.68%0.07933%0.326CS..  trans-134.9138.5-179.5-175.10000108.8Q1104 R1105 L1108 L1132 R1136V1100-Q1104 HydrophobicContact CG1-CB 3.37Å; V1100-Q1104 HydrophobicContact CG1-CG 4.39Å; V1100-Q1104 VanDerWaalsContact CG1-OE1 3.31Å; V1100-R1105 HydrophobicContact CG1-CG 4.01Å; V1100-R1105 PolarHBondContact O-NE 3.25Å; V1100-L1108 HydrophobicContact CG1-CD1 4.18Å; V1100-L1132 HydrophobicContact CG2-CD2 4.03Å; V1100-R1136 HydrophobicContact CG2-CG 4.13Å
1101D83.6Confident85.6Confident28 Ų2858.3 Ų58.315%0.1534%0.335CS..  trans-85-177.2-177.994.9-32.5000112.9N1103 Q1104 R1105 K1148 L1149D1101-N1103 PolarHBondContact OD1-N 3.12Å; D1101-N1103 WeakPolarHBondContact OD2-CB 3.35Å; D1101-N1103 PolarHBondContact OD2-N 3.49Å; D1101-Q1104 WeakPolarHBondContact OD1-CA 3.46Å; D1101-Q1104 WeakPolarHBondContact OD1-CB 3.48Å; D1101-Q1104 WeakPolarHBondContact OD1-CG 3.3Å; D1101-Q1104 PolarHBondContact OD1-N 2.95Å; D1101-R1105 WeakPolarHBondContact O-CB 3.33Å; D1101-R1105 VanDerWaalsContact O-CD 3.31Å; D1101-R1105 WeakPolarHBondContact O-CD 3.42Å; D1101-R1105 WeakPolarHBondContact O-CG 3.49Å; D1101-R1105 PolarHBondContact O-N 2.73Å; D1101-K1148 HydrophobicContact CB-CB 4.33Å; D1101-L1149 VanDerWaalsContact CB-O 3.32Å; D1101-L1149 WeakPolarHBondContact CB-O 3.21Å; D1101-L1149 VanDerWaalsContact OD2-OXT 3.13Å
1102S83.4Confident85.3Confident98 Ų9856.3 Ų56.369%0.68532%0.32SS*.Hα-helixtrans-70.8-33.2-18052.70000113.6A1106S1102-A1106 PolarHBondContact O-N 3.18Å
1103N83.6Confident85Confident95 Ų9557.5 Ų57.551%0.50832%0.324SS..Hα-helixtrans-73.6-48-179-178.437.5000111.4D1101 R1105 A1106 V1107D1101-N1103 PolarHBondContact OD1-N 3.12Å; D1101-N1103 WeakPolarHBondContact OD2-CB 3.35Å; D1101-N1103 PolarHBondContact OD2-N 3.49Å; N1103-R1105 VanDerWaalsContact C-N 3.31Å; N1103-R1105 PolarHBondContact O-N 2.99Å; N1103-A1106 WeakPolarHBondContact O-CB 3.27Å; N1103-A1106 PolarHBondContact O-N 3.08Å; N1103-V1107 WeakPolarHBondContact O-CG2 3.5Å; N1103-V1107 PolarHBondContact O-N 3.3Å
1104Q84.9Confident84.7Confident10 Ų1063.6 Ų63.65%0.04736%0.356CS..Hα-helixtrans-57.4-41.6173.6-67.3172.1-9.200111.4V1100 D1101 A1106 V1107 L1108 Y1135 N1139 L1149V1100-Q1104 HydrophobicContact CG1-CB 3.37Å; V1100-Q1104 HydrophobicContact CG1-CG 4.39Å; V1100-Q1104 VanDerWaalsContact CG1-OE1 3.31Å; D1101-Q1104 WeakPolarHBondContact OD1-CA 3.46Å; D1101-Q1104 WeakPolarHBondContact OD1-CB 3.48Å; D1101-Q1104 WeakPolarHBondContact OD1-CG 3.3Å; D1101-Q1104 PolarHBondContact OD1-N 2.95Å; Q1104-A1106 VanDerWaalsContact C-N 3.34Å; Q1104-A1106 PolarHBondContact O-N 3.28Å; Q1104-V1107 PolarHBondContact O-N 3.23Å; Q1104-L1108 WeakPolarHBondContact O-CB 3.47Å; Q1104-L1108 VanDerWaalsContact O-CG 3.25Å; Q1104-L1108 WeakPolarHBondContact O-CG 3.49Å; Q1104-L1108 PolarHBondContact O-N 3.03Å; Q1104-Y1135 HydrophobicContact CB-CD1 4.44Å; Q1104-Y1135 HydrophobicContact CB-CD2 4.21Å; Q1104-Y1135 HydrophobicContact CB-CE2 4.35Å; Q1104-Y1135 HydrophobicContact CB-CG 4.26Å; Q1104-Y1135 HydrophobicContact CG-CD1 3.79Å; Q1104-Y1135 HydrophobicContact CG-CD2 4.44Å; Q1104-Y1135 HydrophobicContact CG-CE1 3.95Å; Q1104-Y1135 HydrophobicContact CG-CG 4.06Å; Q1104-N1139 PolarHBondContact NE2-ND2 3.42Å; Q1104-N1139 PolarHBondContact NE2-OD1 2.95Å; Q1104-N1139 PolarHBondContact OE1-ND2 3.24Å; Q1104-L1149 WeakPolarHBondContact CG-O 3.43Å; Q1104-L1149 PolarHBondContact NE2-O 3.16Å; Q1104-L1149 PolarHBondContact OE1-O 3.03Å
1105R87.1Confident84.5Confident66 Ų6665.1 Ų65.125%0.24936%0.363CS..Hα-helixtrans-58.7-43.9172.8-75.2168.4-169.3-161.2-7.2112.1L1094 N1095 C1097 V1100 D1101 N1103 L1108 A1109L1094-R1105 PolarHBondContact O-NE 2.92Å; N1095-R1105 PolarHBondContact O-NH1 3.22Å; N1095-R1105 PolarHBondContact O-NH2 3.31Å; C1097-R1105 PolarHBondContact O-NH2 3.4Å; V1100-R1105 HydrophobicContact CG1-CG 4.01Å; V1100-R1105 PolarHBondContact O-NE 3.25Å; D1101-R1105 WeakPolarHBondContact O-CB 3.33Å; D1101-R1105 VanDerWaalsContact O-CD 3.31Å; D1101-R1105 WeakPolarHBondContact O-CD 3.42Å; D1101-R1105 WeakPolarHBondContact O-CG 3.49Å; D1101-R1105 PolarHBondContact O-N 2.73Å; N1103-R1105 VanDerWaalsContact C-N 3.31Å; N1103-R1105 PolarHBondContact O-N 2.99Å; R1105-L1108 PolarHBondContact O-N 2.81Å; R1105-A1109 WeakPolarHBondContact O-CB 3.49Å; R1105-A1109 PolarHBondContact O-N 3.41Å
1106A85.2Confident84.5Confident60 Ų6066.2 Ų66.250%0.49637%0.365SS..Hα-helixtrans-65.4-38.7177.100000112.2S1102 N1103 Q1104 R1110S1102-A1106 PolarHBondContact O-N 3.18Å; N1103-A1106 WeakPolarHBondContact O-CB 3.27Å; N1103-A1106 PolarHBondContact O-N 3.08Å; Q1104-A1106 VanDerWaalsContact C-N 3.34Å; Q1104-A1106 PolarHBondContact O-N 3.28Å; A1106-R1110 WeakPolarHBondContact O-CB 3.34Å; A1106-R1110 PolarHBondContact O-N 3.22Å
1107V85.6Confident84.8Confident31 Ų3167 Ų6719%0.18836%0.355CS..Hα-helixtrans-65-45.6175.8172.60000111.5N1103 Q1104 R1110 N1111N1103-V1107 WeakPolarHBondContact O-CG2 3.5Å; N1103-V1107 PolarHBondContact O-N 3.3Å; Q1104-V1107 PolarHBondContact O-N 3.23Å; V1107-R1110 PolarHBondContact O-N 3.49Å; V1107-N1111 WeakPolarHBondContact O-CB 3.33Å; V1107-N1111 PolarHBondContact O-N 3.17Å; V1107-N1111 PolarHBondContact O-ND2 3.34Å
1108L86.7Confident84.9Confident3 Ų369.8 Ų69.82%0.01637%0.37CS..Hα-helixtrans-61-45.9176.6-70.8165.6000111.4L1094 V1100 Q1104 R1105 R1110 N1111 F1112 L1128 D1131 L1132 Y1135L1094-L1108 HydrophobicContact CD1-CB 4.43Å; L1094-L1108 HydrophobicContact CD2-CB 4.18Å; L1094-L1108 HydrophobicContact CD2-CD1 4.21Å; V1100-L1108 HydrophobicContact CG1-CD1 4.18Å; Q1104-L1108 WeakPolarHBondContact O-CB 3.47Å; Q1104-L1108 VanDerWaalsContact O-CG 3.25Å; Q1104-L1108 WeakPolarHBondContact O-CG 3.49Å; Q1104-L1108 PolarHBondContact O-N 3.03Å; R1105-L1108 PolarHBondContact O-N 2.81Å; L1108-R1110 VanDerWaalsContact C-N 3.33Å; L1108-R1110 PolarHBondContact O-N 2.94Å; L1108-N1111 PolarHBondContact O-N 2.83Å; L1108-F1112 PolarHBondContact O-N 3.04Å; L1108-F1112 VanDerWaalsContact O-N 3.09Å; L1108-L1128 HydrophobicContact CB-CD1 4.26Å; L1108-L1128 HydrophobicContact CD2-CD1 4.18Å; L1108-D1131 HydrophobicContact CD2-CB 3.6Å; L1108-L1132 HydrophobicContact CD1-CD2 3.37Å; L1108-L1132 HydrophobicContact CD1-CG 3.83Å; L1108-L1132 HydrophobicContact CD2-CG 4.32Å; L1108-Y1135 HydrophobicContact CD1-CD2 3.99Å; L1108-Y1135 HydrophobicContact CD1-CE2 4.23Å; L1108-Y1135 HydrophobicContact CD2-CD2 4.05Å; L1108-Y1135 HydrophobicContact CD2-CE2 3.75Å; L1108-Y1135 HydrophobicContact CG-CD2 4.11Å; L1108-Y1135 HydrophobicContact CG-CE2 3.83Å
1109A85.4Confident85.2Confident49 Ų4966.6 Ų66.641%0.40536%0.363SS..Hα-helixtrans-60.8-40.9176.800000112.2L1094 R1105L1094-A1109 HydrophobicContact CD1-CB 3.78Å; R1105-A1109 WeakPolarHBondContact O-CB 3.49Å; R1105-A1109 PolarHBondContact O-N 3.41Å
1110R85.6Confident85.6Confident189 Ų18966.2 Ų66.271%0.71335%0.354SS*.Hα-helixtrans-69.8-35178-172.4-177.769.3-175-0.4112.8A1106 V1107 L1108A1106-R1110 WeakPolarHBondContact O-CB 3.34Å; A1106-R1110 PolarHBondContact O-N 3.22Å; V1107-R1110 PolarHBondContact O-N 3.49Å; L1108-R1110 VanDerWaalsContact C-N 3.33Å; L1108-R1110 PolarHBondContact O-N 2.94Å
1111N83.4Confident85.9Confident44 Ų4465.6 Ų65.624%0.23535%0.35CS..Hα-helixtrans-80.1-18.1-177.6-70.5-11.1000112.9V1107 L1108 K1113V1107-N1111 WeakPolarHBondContact O-CB 3.33Å; V1107-N1111 PolarHBondContact O-N 3.17Å; V1107-N1111 PolarHBondContact O-ND2 3.34Å; L1108-N1111 PolarHBondContact O-N 2.83Å; N1111-K1113 PolarHBondContact O-N 3.2Å
1112F84.4Confident86.2Confident15 Ų1565.7 Ų65.77%0.06635%0.352CS..SBendtrans-78.799.4172.4-156.8-86.8000109.9F1085 Y1086 M1090 L1108 F1121 S1124 V1125 L1128F1085-F1112 AromaticContact CE1-CE1 3.96Å; F1085-F1112 HydrophobicContact CE1-CE1 3.96Å; F1085-F1112 HydrophobicContact CE1-CZ 4.27Å; Y1086-F1112 HydrophobicContact CD1-CD1 4.21Å; Y1086-F1112 HydrophobicContact CD1-CE1 4.28Å; Y1086-F1112 AromaticContact CE1-CD1 3.66Å; Y1086-F1112 HydrophobicContact CE1-CD1 3.66Å; Y1086-F1112 AromaticContact CE1-CE1 3.5Å; Y1086-F1112 HydrophobicContact CE1-CE1 3.5Å; Y1086-F1112 VanDerWaalsContact CE1-CE1 3.5Å; M1090-F1112 HydrophobicContact CE-CD1 3.77Å; M1090-F1112 HydrophobicContact CE-CD2 4.03Å; M1090-F1112 HydrophobicContact CE-CE1 3.56Å; M1090-F1112 HydrophobicContact CE-CE2 3.82Å; M1090-F1112 HydrophobicContact CE-CG 4Å; M1090-F1112 HydrophobicContact CE-CZ 3.58Å; L1108-F1112 PolarHBondContact O-N 3.04Å; L1108-F1112 VanDerWaalsContact O-N 3.09Å; F1112-F1121 HydrophobicContact CZ-CE2 4.39Å; F1112-S1124 WeakPolarHBondContact CE2-O 3.38Å; F1112-V1125 HydrophobicContact CE2-CG2 4.27Å; F1112-V1125 HydrophobicContact CZ-CG2 4.05Å; F1112-L1128 HydrophobicContact CD2-CB 3.88Å; F1112-L1128 HydrophobicContact CD2-CD1 4.31Å; F1112-L1128 HydrophobicContact CD2-CD2 3.81Å; F1112-L1128 HydrophobicContact CD2-CG 4.21Å; F1112-L1128 HydrophobicContact CE2-CB 3.96Å; F1112-L1128 HydrophobicContact CE2-CD2 3.72Å; F1112-L1128 HydrophobicContact CE2-CG 4.39Å
1113K83.1Confident86.4Confident127 Ų12767 Ų6755%0.55235%0.347SS*.  trans-72.1151.8-178.3-68.6177177.1178.30111.1N1111 E1115N1111-K1113 PolarHBondContact O-N 3.2Å; K1113-E1115 HydrophobicContact CB-CG 3.82Å; K1113-E1115 VanDerWaalsContact CD-OE1 3.24Å; K1113-E1115 WeakPolarHBondContact CD-OE1 3.32Å; K1113-E1115 PolarHBondContact O-N 3.22Å
1114L84.4Confident86.7Confident134 Ų13462.9 Ų62.970%0.70233%0.326SS*.  trans-78.260.1178-56.3174.9000111.3Y1086Y1086-L1114 HydrophobicContact CD1-CD2 3.37Å; Y1086-L1114 HydrophobicContact CD2-CD2 3.77Å; Y1086-L1114 HydrophobicContact CE1-CD2 3.86Å; Y1086-L1114 HydrophobicContact CE2-CD2 4.3Å; Y1086-L1114 HydrophobicContact CG-CD2 3.33Å
1115E84.9Confident86.9Confident36 Ų3662.5 Ų62.517%0.16832%0.324CS..  trans-86140.6-175.6-70166.3175.100110.9Y1086 K1113 S1120 S1124Y1086-E1115 PolarHBondContact OH-N 2.94Å; Y1086-E1115 PolarHBondContact OH-O 3.47Å; K1113-E1115 HydrophobicContact CB-CG 3.82Å; K1113-E1115 VanDerWaalsContact CD-OE1 3.24Å; K1113-E1115 WeakPolarHBondContact CD-OE1 3.32Å; K1113-E1115 PolarHBondContact O-N 3.22Å; E1115-S1120 VanDerWaalsContact CD-CB 3.42Å; E1115-S1120 VanDerWaalsContact OE2-CB 3.24Å; E1115-S1120 WeakPolarHBondContact OE2-CB 3.13Å; E1115-S1124 PolarHBondContact OE2-OG 3.37Å
1116Q87.3Confident87Confident125 Ų12562.8 Ų62.858%0.58433%0.328SS*.  trans-116.5-14.8-178.2-66.7-175.5-4.900112.9Y1075 F1082Y1075-Q1116 WeakPolarHBondContact CE2-O 3.46Å; Y1075-Q1116 PolarHBondContact OH-O 2.82Å; F1082-Q1116 HydrophobicContact CD2-CB 4.45Å; F1082-Q1116 HydrophobicContact CD2-CG 3.95Å; F1082-Q1116 HydrophobicContact CE2-CB 4.08Å; F1082-Q1116 HydrophobicContact CE2-CG 4.09Å; F1082-Q1116 HydrophobicContact CG-CG 4.37Å; F1082-Q1116 HydrophobicContact CZ-CB 4.46Å
1117D90.9Very high87.2Confident75 Ų7563.2 Ų63.240%0.40132%0.317SS..SBendtrans-84.4142.3174.466-76.2000111.2S1120 F1121D1117-S1120 VanDerWaalsContact CG-OG 3.26Å; D1117-S1120 PolarHBondContact O-N 3.33Å; D1117-S1120 WeakPolarHBondContact OD1-CB 3.46Å; D1117-S1120 PolarHBondContact OD1-OG 3.08Å; D1117-S1120 WeakPolarHBondContact OD2-CB 3.49Å; D1117-S1120 PolarHBondContact OD2-N 3.5Å; D1117-S1120 PolarHBondContact OD2-OG 2.9Å; D1117-F1121 VanDerWaalsContact O-CB 3.29Å; D1117-F1121 WeakPolarHBondContact O-CB 3.31Å; D1117-F1121 PolarHBondContact O-N 3.37Å
1118L86.4Confident87.4Confident62 Ų6262 Ų6233%0.32531%0.31SS..Hα-helixtrans-56.3-46.5-175.4174.167.3000113.8L1072 Y1075 T1122L1072-L1118 HydrophobicContact CD1-CD1 3.73Å; L1072-L1118 HydrophobicContact CD1-CD2 3.76Å; L1072-L1118 HydrophobicContact CD1-CG 4.42Å; Y1075-L1118 HydrophobicContact CD1-CB 4.38Å; Y1075-L1118 HydrophobicContact CD1-CD1 3.58Å; Y1075-L1118 HydrophobicContact CD2-CB 4.38Å; Y1075-L1118 HydrophobicContact CD2-CD1 3.98Å; Y1075-L1118 HydrophobicContact CE1-CB 4.09Å; Y1075-L1118 HydrophobicContact CE1-CD1 4.14Å; Y1075-L1118 HydrophobicContact CE2-CB 4.07Å; Y1075-L1118 HydrophobicContact CE2-CD1 4.47Å; Y1075-L1118 HydrophobicContact CG-CD1 3.47Å; Y1075-L1118 VanDerWaalsContact CG-CD1 3.47Å; L1118-T1122 VanDerWaalsContact O-CB 3.29Å; L1118-T1122 WeakPolarHBondContact O-CB 3.31Å; L1118-T1122 PolarHBondContact O-N 3.17Å; L1118-T1122 PolarHBondContact O-OG1 3.33Å
1119P89.3Confident87.5Confident96 Ų9662.3 Ų62.362%0.62331%0.312SS*.Hα-helixtrans-62.1-47.8-179.4-23.434.9000112.9T1122 Q1123P1119-T1122 PolarHBondContact O-N 3.03Å; P1119-Q1123 PolarHBondContact O-N 3.41Å; P1119-Q1123 VanDerWaalsContact O-N 3.12Å
1120S88.5Confident87.6Confident34 Ų3460.7 Ų60.724%0.23830%0.296CS..Hα-helixtrans-68.7-44.3-178.4-49.50000110.8E1115 D1117 T1122 Q1123 S1124E1115-S1120 VanDerWaalsContact CD-CB 3.42Å; E1115-S1120 VanDerWaalsContact OE2-CB 3.24Å; E1115-S1120 WeakPolarHBondContact OE2-CB 3.13Å; D1117-S1120 VanDerWaalsContact CG-OG 3.26Å; D1117-S1120 PolarHBondContact O-N 3.33Å; D1117-S1120 WeakPolarHBondContact OD1-CB 3.46Å; D1117-S1120 PolarHBondContact OD1-OG 3.08Å; D1117-S1120 WeakPolarHBondContact OD2-CB 3.49Å; D1117-S1120 PolarHBondContact OD2-N 3.5Å; D1117-S1120 PolarHBondContact OD2-OG 2.9Å; S1120-T1122 VanDerWaalsContact C-N 3.31Å; S1120-T1122 PolarHBondContact O-N 3.08Å; S1120-Q1123 WeakPolarHBondContact O-CB 3.47Å; S1120-Q1123 PolarHBondContact O-N 3.47Å; S1120-Q1123 VanDerWaalsContact O-N 3.08Å; S1120-S1124 PolarHBondContact O-N 3.3Å
1121F90.7Very high87.8Confident0 Ų051.9 Ų51.90%026%0.263CS..Hα-helixtrans-56.4-44.2175.1-178.4-88.6000112.4I1074 Y1075 A1078 F1082 F1085 F1112 D1117 Q1123 S1124 V1125I1074-F1121 HydrophobicContact CG2-CE1 3.99Å; I1074-F1121 HydrophobicContact CG2-CZ 4.07Å; Y1075-F1121 HydrophobicContact CD2-CB 3.87Å; Y1075-F1121 AromaticContact CD2-CD1 3.66Å; Y1075-F1121 HydrophobicContact CD2-CD1 3.66Å; Y1075-F1121 HydrophobicContact CD2-CD2 4.43Å; Y1075-F1121 HydrophobicContact CD2-CE1 4.29Å; Y1075-F1121 AromaticContact CD2-CG 3.73Å; Y1075-F1121 HydrophobicContact CD2-CG 3.73Å; Y1075-F1121 HydrophobicContact CE2-CB 4.31Å; Y1075-F1121 HydrophobicContact CG-CD1 4.2Å; A1078-F1121 HydrophobicContact CB-CE2 4.13Å; A1078-F1121 HydrophobicContact CB-CZ 3.85Å; F1082-F1121 HydrophobicContact CE1-CD2 4.36Å; F1082-F1121 HydrophobicContact CE1-CE2 4.35Å; F1085-F1121 HydrophobicContact CD1-CE2 4.49Å; F1085-F1121 AromaticContact CE1-CE2 3.84Å; F1085-F1121 HydrophobicContact CE1-CE2 3.84Å; F1085-F1121 HydrophobicContact CE1-CZ 4.15Å; F1085-F1121 HydrophobicContact CZ-CE2 4.14Å; F1085-F1121 AromaticContact CZ-CZ 3.95Å; F1085-F1121 HydrophobicContact CZ-CZ 3.95Å; F1112-F1121 HydrophobicContact CZ-CE2 4.39Å; D1117-F1121 VanDerWaalsContact O-CB 3.29Å; D1117-F1121 WeakPolarHBondContact O-CB 3.31Å; D1117-F1121 PolarHBondContact O-N 3.37Å; F1121-Q1123 VanDerWaalsContact C-N 3.33Å; F1121-Q1123 PolarHBondContact O-N 3.31Å; F1121-S1124 WeakPolarHBondContact O-CB 3.42Å; F1121-S1124 PolarHBondContact O-N 3.07Å; F1121-S1124 VanDerWaalsContact O-N 3.17Å; F1121-V1125 HydrophobicContact CD1-CG2 3.91Å; F1121-V1125 HydrophobicContact CE1-CG2 3.47Å; F1121-V1125 VanDerWaalsContact CE1-CG2 3.47Å; F1121-V1125 HydrophobicContact CZ-CG2 3.81Å; F1121-V1125 WeakPolarHBondContact O-CG2 3.39Å; F1121-V1125 PolarHBondContact O-N 3.38Å
1122T89.3Confident88Confident31 Ų3149.8 Ų49.819%0.1925%0.252CS..Hα-helixtrans-58.3-46.4176.7-62.30000110.9T1071 L1118 P1119 S1120 S1124 V1125 Q1126T1071-T1122 HydrophobicContact CG2-CG2 3.68Å; L1118-T1122 VanDerWaalsContact O-CB 3.29Å; L1118-T1122 WeakPolarHBondContact O-CB 3.31Å; L1118-T1122 PolarHBondContact O-N 3.17Å; L1118-T1122 PolarHBondContact O-OG1 3.33Å; P1119-T1122 PolarHBondContact O-N 3.03Å; S1120-T1122 VanDerWaalsContact C-N 3.31Å; S1120-T1122 PolarHBondContact O-N 3.08Å; T1122-S1124 VanDerWaalsContact C-N 3.34Å; T1122-S1124 PolarHBondContact O-N 3.45Å; T1122-V1125 PolarHBondContact O-N 3.47Å; T1122-Q1126 WeakPolarHBondContact O-CG 3.34Å; T1122-Q1126 PolarHBondContact O-N 3Å
1123Q88.1Confident88Confident125 Ų12550.8 Ų50.858%0.58426%0.255SS*.Hα-helixtrans-62.3-41.1176.3-170.3-179.912.400111.8P1119 S1120 F1121 Q1126 R1127P1119-Q1123 PolarHBondContact O-N 3.41Å; P1119-Q1123 VanDerWaalsContact O-N 3.12Å; S1120-Q1123 WeakPolarHBondContact O-CB 3.47Å; S1120-Q1123 PolarHBondContact O-N 3.47Å; S1120-Q1123 VanDerWaalsContact O-N 3.08Å; F1121-Q1123 VanDerWaalsContact C-N 3.33Å; F1121-Q1123 PolarHBondContact O-N 3.31Å; Q1123-Q1126 PolarHBondContact O-N 2.81Å; Q1123-R1127 VanDerWaalsContact O-CB 3.29Å; Q1123-R1127 WeakPolarHBondContact O-CB 3.27Å; Q1123-R1127 PolarHBondContact O-N 3.35Å
1124S89.4Confident88.1Confident8 Ų845.9 Ų45.96%0.05623%0.233CC..Hα-helixtrans-64-40.7176.9-79.70000112.6F1112 E1115 S1120 F1121 T1122 R1127 L1128F1112-S1124 WeakPolarHBondContact CE2-O 3.38Å; E1115-S1124 PolarHBondContact OE2-OG 3.37Å; S1120-S1124 PolarHBondContact O-N 3.3Å; F1121-S1124 WeakPolarHBondContact O-CB 3.42Å; F1121-S1124 PolarHBondContact O-N 3.07Å; F1121-S1124 VanDerWaalsContact O-N 3.17Å; T1122-S1124 VanDerWaalsContact C-N 3.34Å; T1122-S1124 PolarHBondContact O-N 3.45Å; S1124-R1127 PolarHBondContact O-N 3.22Å; S1124-L1128 WeakPolarHBondContact O-CB 3.45Å; S1124-L1128 PolarHBondContact O-N 2.97Å
1125V89.8Confident88.1Confident2 Ų241.2 Ų41.21%0.01221%0.207CC..Hα-helixtrans-64.7-47.6173.8172.20000111.4L1055 L1058 T1071 F1112 F1121 T1122 R1127 L1128 V1129L1055-V1125 HydrophobicContact CD2-CG1 3.88Å; L1058-V1125 HydrophobicContact CD1-CG1 4.26Å; T1071-V1125 HydrophobicContact CG2-CB 4.16Å; T1071-V1125 HydrophobicContact CG2-CG1 4.19Å; F1112-V1125 HydrophobicContact CE2-CG2 4.27Å; F1112-V1125 HydrophobicContact CZ-CG2 4.05Å; F1121-V1125 HydrophobicContact CD1-CG2 3.91Å; F1121-V1125 HydrophobicContact CE1-CG2 3.47Å; F1121-V1125 VanDerWaalsContact CE1-CG2 3.47Å; F1121-V1125 HydrophobicContact CZ-CG2 3.81Å; F1121-V1125 WeakPolarHBondContact O-CG2 3.39Å; F1121-V1125 PolarHBondContact O-N 3.38Å; T1122-V1125 PolarHBondContact O-N 3.47Å; V1125-R1127 VanDerWaalsContact C-N 3.27Å; V1125-R1127 PolarHBondContact O-N 3.11Å; V1125-L1128 WeakPolarHBondContact O-CB 3.06Å; V1125-L1128 PolarHBondContact O-N 3.36Å; V1125-V1129 WeakPolarHBondContact O-CG2 3.49Å; V1125-V1129 PolarHBondContact O-N 3.43Å
1126Q88.5Confident88.2Confident73 Ų7342.1 Ų42.134%0.34121%0.208SC..Hα-helixtrans-60.5-39.5177.2-71.2176.5-9.500111.7T1122 Q1123 V1129 N1130T1122-Q1126 WeakPolarHBondContact O-CG 3.34Å; T1122-Q1126 PolarHBondContact O-N 3Å; Q1123-Q1126 PolarHBondContact O-N 2.81Å; Q1126-V1129 PolarHBondContact O-N 3.15Å; Q1126-N1130 PolarHBondContact O-N 2.99Å
1127R88.9Confident87.9Confident69 Ų6938.8 Ų38.826%0.2620%0.195SC..Hα-helixtrans-62.2-47.6175178.6173.5-175.1157.81.8112.4V167 Q1123 S1124 V1125 V1129 N1130 D1131V167-R1127 HydrophobicContact CB-CG 3.99Å; V167-R1127 HydrophobicContact CG1-CG 4.31Å; V167-R1127 HydrophobicContact CG2-CB 4.22Å; V167-R1127 HydrophobicContact CG2-CG 3.91Å; Q1123-R1127 VanDerWaalsContact O-CB 3.29Å; Q1123-R1127 WeakPolarHBondContact O-CB 3.27Å; Q1123-R1127 PolarHBondContact O-N 3.35Å; S1124-R1127 PolarHBondContact O-N 3.22Å; V1125-R1127 VanDerWaalsContact C-N 3.27Å; V1125-R1127 PolarHBondContact O-N 3.11Å; R1127-V1129 VanDerWaalsContact C-N 3.32Å; R1127-V1129 PolarHBondContact O-N 2.93Å; R1127-N1130 PolarHBondContact O-N 3.29Å; R1127-D1131 IonicContact NE-OD2 3.88Å; R1127-D1131 WeakPolarHBondContact O-CB 3.38Å; R1127-D1131 PolarHBondContact O-N 3.31Å
1128L89.7Confident87.1Confident6 Ų635.9 Ų35.93%0.03118%0.18CC..Hα-helixtrans-56.4-47.3176.5-177.663.2000111.5M1090 F1093 L1094 L1108 F1112 S1124 V1125 L1132M1090-L1128 HydrophobicContact CE-CD2 3.99Å; M1090-L1128 HydrophobicContact SD-CD2 3.77Å; F1093-L1128 HydrophobicContact CE1-CD2 4.5Å; L1094-L1128 HydrophobicContact CD2-CD1 4.19Å; L1108-L1128 HydrophobicContact CB-CD1 4.26Å; L1108-L1128 HydrophobicContact CD2-CD1 4.18Å; F1112-L1128 HydrophobicContact CD2-CB 3.88Å; F1112-L1128 HydrophobicContact CD2-CD1 4.31Å; F1112-L1128 HydrophobicContact CD2-CD2 3.81Å; F1112-L1128 HydrophobicContact CD2-CG 4.21Å; F1112-L1128 HydrophobicContact CE2-CB 3.96Å; F1112-L1128 HydrophobicContact CE2-CD2 3.72Å; F1112-L1128 HydrophobicContact CE2-CG 4.39Å; S1124-L1128 WeakPolarHBondContact O-CB 3.45Å; S1124-L1128 PolarHBondContact O-N 2.97Å; V1125-L1128 WeakPolarHBondContact O-CB 3.06Å; V1125-L1128 PolarHBondContact O-N 3.36Å; L1128-L1132 HydrophobicContact CD1-CD1 4.01Å; L1128-L1132 HydrophobicContact CD1-CG 4.36Å; L1128-L1132 HydrophobicContact CG-CD1 3.91Å; L1128-L1132 VanDerWaalsContact O-CB 3.26Å; L1128-L1132 WeakPolarHBondContact O-CB 3.48Å; L1128-L1132 WeakPolarHBondContact O-CG 3.3Å; L1128-L1132 PolarHBondContact O-N 2.95Å
1129V89.4Confident86.8Confident9 Ų933.7 Ų33.76%0.05517%0.168CC..Hα-helixtrans-62.2-47.9-179.8167.80000111.3L1058 L1059 V1125 Q1126 R1127 R1133L1058-V1129 HydrophobicContact CB-CG2 4.13Å; L1058-V1129 WeakPolarHBondContact O-CG1 3.47Å; L1059-V1129 HydrophobicContact CD2-CB 4.34Å; L1059-V1129 HydrophobicContact CD2-CG1 4.14Å; L1059-V1129 HydrophobicContact CD2-CG2 4.37Å; V1125-V1129 WeakPolarHBondContact O-CG2 3.49Å; V1125-V1129 PolarHBondContact O-N 3.43Å; Q1126-V1129 PolarHBondContact O-N 3.15Å; R1127-V1129 VanDerWaalsContact C-N 3.32Å; R1127-V1129 PolarHBondContact O-N 2.93Å; V1129-R1133 WeakPolarHBondContact O-CG 3.37Å; V1129-R1133 PolarHBondContact O-N 3.39Å; V1129-R1133 VanDerWaalsContact O-N 3.15Å
1130N88.6Confident86.1Confident14 Ų1433.5 Ų33.58%0.07517%0.17CC..Hα-helixtrans-63.2-47.9178.3178.486.7000111.7L165 V167 K170 Q1126 R1127 L1132 R1133 Y1134L165-N1130 PolarHBondContact O-ND2 3.12Å; V167-N1130 HydrophobicContact CG2-CB 3.84Å; V167-N1130 WeakPolarHBondContact CG2-ND2 3.49Å; V167-N1130 PolarHBondContact N-ND2 3.44Å; K170-N1130 PolarHBondContact NZ-OD1 2.93Å; Q1126-N1130 PolarHBondContact O-N 2.99Å; R1127-N1130 PolarHBondContact O-N 3.29Å; N1130-L1132 PolarHBondContact O-N 3.09Å; N1130-R1133 PolarHBondContact O-N 2.84Å; N1130-Y1134 WeakPolarHBondContact O-CB 3.38Å; N1130-Y1134 PolarHBondContact O-N 3.13Å
1131D88.4Confident85.1Confident4 Ų433.2 Ų33.22%0.02117%0.167CC..Hα-helixtrans-67.5-37.9-177.5-70.7-9.2000111.9S166 V167 L1108 R1127 Y1134 Y1135S166-D1131 VanDerWaalsContact CA-OD1 3.27Å; S166-D1131 WeakPolarHBondContact CA-OD1 3.36Å; V167-D1131 PolarHBondContact N-OD1 3.2Å; L1108-D1131 HydrophobicContact CD2-CB 3.6Å; R1127-D1131 IonicContact NE-OD2 3.88Å; R1127-D1131 WeakPolarHBondContact O-CB 3.38Å; R1127-D1131 PolarHBondContact O-N 3.31Å; D1131-Y1134 WeakPolarHBondContact O-CB 3.43Å; D1131-Y1134 PolarHBondContact O-N 3.4Å; D1131-Y1135 HydrophobicContact CB-CE2 4.38Å; D1131-Y1135 WeakPolarHBondContact O-CD2 3.32Å; D1131-Y1135 PolarHBondContact O-N 2.72Å
1132L87.5Confident83.9Confident1 Ų134.6 Ų34.61%0.00518%0.175CC..Hα-helixtrans-61-43.8173.5-86.4168.8000112.5L1059 F1093 L1094 C1097 V1100 L1108 L1128 N1130 Y1135 R1136L1059-L1132 HydrophobicContact CD1-CD1 4.32Å; L1059-L1132 HydrophobicContact CD2-CB 3.77Å; L1059-L1132 HydrophobicContact CD2-CD1 4.03Å; F1093-L1132 HydrophobicContact CE1-CD1 4.01Å; L1094-L1132 HydrophobicContact CD2-CD1 4.46Å; L1094-L1132 HydrophobicContact CD2-CD2 4.36Å; C1097-L1132 HydrophobicContact CB-CD2 4.42Å; V1100-L1132 HydrophobicContact CG2-CD2 4.03Å; L1108-L1132 HydrophobicContact CD1-CD2 3.37Å; L1108-L1132 HydrophobicContact CD1-CG 3.83Å; L1108-L1132 HydrophobicContact CD2-CG 4.32Å; L1128-L1132 HydrophobicContact CD1-CD1 4.01Å; L1128-L1132 HydrophobicContact CD1-CG 4.36Å; L1128-L1132 HydrophobicContact CG-CD1 3.91Å; L1128-L1132 VanDerWaalsContact O-CB 3.26Å; L1128-L1132 WeakPolarHBondContact O-CB 3.48Å; L1128-L1132 WeakPolarHBondContact O-CG 3.3Å; L1128-L1132 PolarHBondContact O-N 2.95Å; N1130-L1132 PolarHBondContact O-N 3.09Å; L1132-Y1135 PolarHBondContact O-N 3.23Å; L1132-R1136 WeakPolarHBondContact O-CG 3.33Å; L1132-R1136 PolarHBondContact O-N 3.1Å
1133R85.6Confident82.3Confident35 Ų3537 Ų3713%0.13219%0.191CC..Hα-helixtrans-63.3-44.8176.2-75.5174.5173.1169.71.6111.6E163 L1058 L1059 V1129 N1130 Y1135 R1136 L1137E163-R1133 IonicContact OE1-NH1 3.86Å; E163-R1133 IonicContact OE2-CZ 2.82Å; E163-R1133 IonicContact OE2-NH1 3.84Å; E163-R1133 PolarHBondContact OE2-NH1 3.27Å; L1058-R1133 VanDerWaalsContact O-CZ 3.3Å; L1058-R1133 PolarHBondContact O-NH2 2.93Å; L1059-R1133 HydrophobicContact CD2-CG 4.3Å; L1059-R1133 PolarHBondContact O-NE 3.09Å; L1059-R1133 PolarHBondContact O-NH2 3.48Å; L1059-R1133 VanDerWaalsContact O-NH2 3.16Å; V1129-R1133 WeakPolarHBondContact O-CG 3.37Å; V1129-R1133 PolarHBondContact O-N 3.39Å; V1129-R1133 VanDerWaalsContact O-N 3.15Å; N1130-R1133 PolarHBondContact O-N 2.84Å; R1133-Y1135 VanDerWaalsContact C-N 3.35Å; R1133-Y1135 PolarHBondContact O-N 3.09Å; R1133-R1136 PolarHBondContact O-N 3.23Å; R1133-L1137 WeakPolarHBondContact O-CB 3.5Å; R1133-L1137 PolarHBondContact O-N 3.4Å
1134Y84.7Confident80.4Confident24 Ų2438.4 Ų38.49%0.09421%0.208CC..Hα-helixtrans-55.9-48.6176.3170.2-108.4000111.7I78 D164 N1130 D1131 R1136 L1137 C1138I78-Y1134 WeakPolarHBondContact CD1-OH 3.42Å; D164-Y1134 VanDerWaalsContact C-CD2 3.41Å; D164-Y1134 WeakPolarHBondContact O-CD2 3.26Å; D164-Y1134 WeakPolarHBondContact O-CE2 3.27Å; N1130-Y1134 WeakPolarHBondContact O-CB 3.38Å; N1130-Y1134 PolarHBondContact O-N 3.13Å; D1131-Y1134 WeakPolarHBondContact O-CB 3.43Å; D1131-Y1134 PolarHBondContact O-N 3.4Å; Y1134-R1136 PolarHBondContact O-N 3.32Å; Y1134-L1137 WeakPolarHBondContact O-CB 3.5Å; Y1134-L1137 PolarHBondContact O-N 2.97Å; Y1134-C1138 VanDerWaalsContact CE2-SG 3.59Å; Y1134-C1138 PolarHBondContact O-N 3.43Å; Y1134-C1138 PolarHBondContact O-SG 3.46Å
1135Y85Confident78.4Confident37 Ų3742.1 Ų42.115%0.14525%0.247CC..Hα-helixtrans-64.6-41.4178.3-69-49.1000112.9Q1104 L1108 D1131 L1132 R1133 L1137 C1138 N1139Q1104-Y1135 HydrophobicContact CB-CD1 4.44Å; Q1104-Y1135 HydrophobicContact CB-CD2 4.21Å; Q1104-Y1135 HydrophobicContact CB-CE2 4.35Å; Q1104-Y1135 HydrophobicContact CB-CG 4.26Å; Q1104-Y1135 HydrophobicContact CG-CD1 3.79Å; Q1104-Y1135 HydrophobicContact CG-CD2 4.44Å; Q1104-Y1135 HydrophobicContact CG-CE1 3.95Å; Q1104-Y1135 HydrophobicContact CG-CG 4.06Å; L1108-Y1135 HydrophobicContact CD1-CD2 3.99Å; L1108-Y1135 HydrophobicContact CD1-CE2 4.23Å; L1108-Y1135 HydrophobicContact CD2-CD2 4.05Å; L1108-Y1135 HydrophobicContact CD2-CE2 3.75Å; L1108-Y1135 HydrophobicContact CG-CD2 4.11Å; L1108-Y1135 HydrophobicContact CG-CE2 3.83Å; D1131-Y1135 HydrophobicContact CB-CE2 4.38Å; D1131-Y1135 WeakPolarHBondContact O-CD2 3.32Å; D1131-Y1135 PolarHBondContact O-N 2.72Å; L1132-Y1135 PolarHBondContact O-N 3.23Å; R1133-Y1135 VanDerWaalsContact C-N 3.35Å; R1133-Y1135 PolarHBondContact O-N 3.09Å; Y1135-L1137 VanDerWaalsContact C-N 3.31Å; Y1135-L1137 PolarHBondContact O-N 2.73Å; Y1135-C1138 PolarHBondContact O-N 3.05Å; Y1135-N1139 WeakPolarHBondContact O-CB 3.43Å; Y1135-N1139 VanDerWaalsContact O-CG 3.27Å; Y1135-N1139 PolarHBondContact O-N 3.07Å; Y1135-N1139 PolarHBondContact O-ND2 3.47Å
1136R85.4Confident76.4Confident54 Ų5444.9 Ų44.920%0.20427%0.265CS..Hα-helixtrans-60.4-40.8174.7-74.6-179.9178.7173.26.9112Q1098 V1100 L1132 R1133 Y1134 S1140Q1098-R1136 PolarHBondContact O-NE 3.09Å; Q1098-R1136 VanDerWaalsContact O-NE 3.08Å; V1100-R1136 HydrophobicContact CG2-CG 4.13Å; L1132-R1136 WeakPolarHBondContact O-CG 3.33Å; L1132-R1136 PolarHBondContact O-N 3.1Å; R1133-R1136 PolarHBondContact O-N 3.23Å; Y1134-R1136 PolarHBondContact O-N 3.32Å; R1136-S1140 WeakPolarHBondContact O-CB 3.36Å; R1136-S1140 PolarHBondContact O-N 2.71Å; R1136-S1140 PolarHBondContact O-OG 3.18Å
1137L80.8Confident74.2Confident56 Ų5648.7 Ų48.729%0.29329%0.286SS..Hα-helixtrans-63.6-47.1176.8-177.767.6000111.5D164 R1133 Y1134 Y1135 S1140 S1141D164-L1137 HydrophobicContact CB-CD2 3.7Å; R1133-L1137 WeakPolarHBondContact O-CB 3.5Å; R1133-L1137 PolarHBondContact O-N 3.4Å; Y1134-L1137 WeakPolarHBondContact O-CB 3.5Å; Y1134-L1137 PolarHBondContact O-N 2.97Å; Y1135-L1137 VanDerWaalsContact C-N 3.31Å; Y1135-L1137 PolarHBondContact O-N 2.73Å; L1137-S1140 PolarHBondContact O-OG 3.33Å; L1137-S1141 PolarHBondContact O-N 2.87Å; L1137-S1141 PolarHBondContact O-OG 2.88Å
1138C75.3Confident72Confident14 Ų1452.3 Ų52.310%0.09530%0.303CS..Hα-helixtrans-59.3-50177.2-64.70000111.1Y1134 Y1135 S1140 S1141Y1134-C1138 VanDerWaalsContact CE2-SG 3.59Å; Y1134-C1138 PolarHBondContact O-N 3.43Å; Y1134-C1138 PolarHBondContact O-SG 3.46Å; Y1135-C1138 PolarHBondContact O-N 3.05Å; C1138-S1140 PolarHBondContact O-N 2.99Å; C1138-S1141 PolarHBondContact O-N 2.63Å
1139N79.9Confident69.9Low15 Ų1555.9 Ų55.98%0.0832%0.322CS..Hα-helixtrans-72.3-31.6-173-69.8-18.1000113.8G1099 Q1104 Y1135 S1141G1099-N1139 WeakPolarHBondContact O-CB 3.44Å; G1099-N1139 PolarHBondContact O-ND2 3.2Å; Q1104-N1139 PolarHBondContact NE2-ND2 3.42Å; Q1104-N1139 PolarHBondContact NE2-OD1 2.95Å; Q1104-N1139 PolarHBondContact OE1-ND2 3.24Å; Y1135-N1139 WeakPolarHBondContact O-CB 3.43Å; Y1135-N1139 VanDerWaalsContact O-CG 3.27Å; Y1135-N1139 PolarHBondContact O-N 3.07Å; Y1135-N1139 PolarHBondContact O-ND2 3.47Å; N1139-S1141 PolarHBondContact O-N 2.79Å
1140S75.3Confident68.9Low93 Ų9358.3 Ų58.365%0.6534%0.335SS*.Hα-helixtrans-70.1-19174.754.80000113.1R1136 L1137 C1138R1136-S1140 WeakPolarHBondContact O-CB 3.36Å; R1136-S1140 PolarHBondContact O-N 2.71Å; R1136-S1140 PolarHBondContact O-OG 3.18Å; L1137-S1140 PolarHBondContact O-OG 3.33Å; C1138-S1140 PolarHBondContact O-N 2.99Å
1141S67.9Low67.9Low27 Ų2760.6 Ų60.619%0.18935%0.349CS..THydrogen-bonded Turntrans-98.3-4.7-175-54.30000113.7M76 L1137 C1138 N1139M76-S1141 WeakPolarHBondContact CG-O 3.43Å; M76-S1141 VanDerWaalsContact SD-O 3.35Å; L1137-S1141 PolarHBondContact O-N 2.87Å; L1137-S1141 PolarHBondContact O-OG 2.88Å; C1138-S1141 PolarHBondContact O-N 2.63Å; N1139-S1141 PolarHBondContact O-N 2.79Å
1142L64.9Low66.7Low29 Ų2963.7 Ų63.715%0.15237%0.367CS..SBendtrans-82.3144.4178.7-69.2169.9000111.6
1143P56.3Low65.5Low83 Ų8367.4 Ų67.454%0.53939%0.389SS..PPolyproline II helixtrans-57143.4175.3-22.130.9000112.7G1145 T1146P1143-G1145 PolarHBondContact O-N 3.16Å; P1143-T1146 WeakPolarHBondContact CD-OG1 3.44Å; P1143-T1146 WeakPolarHBondContact O-CB 3.41Å; P1143-T1146 PolarHBondContact O-N 2.97Å; P1143-T1146 VanDerWaalsContact O-N 3.09Å; P1143-T1146 PolarHBondContact O-OG1 2.67Å
1144T47.5Very low64.3Low154 Ų15469.4 Ų69.495%0.94541%0.405SS*.THydrogen-bonded Turntrans-57.9119.5177.346.80000111.1
1145G46.1Very low62.9Low85 Ų8572.5 Ų72.588%0.87643%0.425SS*.THydrogen-bonded Turntrans103.8-5.2-178.200000115P1143P1143-G1145 PolarHBondContact O-N 3.16Å
1146T48.3Very low61.3Low61 Ų6175 Ų7537%0.37445%0.445SS..SBendtrans-70.4139.7168.5-37.70000109.1P1143 K1148P1143-T1146 WeakPolarHBondContact CD-OG1 3.44Å; P1143-T1146 WeakPolarHBondContact O-CB 3.41Å; P1143-T1146 PolarHBondContact O-N 2.97Å; P1143-T1146 VanDerWaalsContact O-N 3.09Å; P1143-T1146 PolarHBondContact O-OG1 2.67Å; T1146-K1148 PolarHBondContact O-N 2.95Å
1147I42.8Very low59.5Low152 Ų15276.6 Ų76.678%0.77946%0.464SS*.  trans-55.5114.1172-61171.5000106.7L1149I1147-L1149 PolarHBondContact O-N 3.09Å
1148K43.6Very low57.7Low145 Ų14578.3 Ų78.363%0.6348%0.478SS*.  trans-61.1118.3172.4-67.7179.8179.2-179.90106.1D1101 T1146D1101-K1148 HydrophobicContact CB-CB 4.33Å; T1146-K1148 PolarHBondContact O-N 2.95Å
1149L44.6Very low56.1Low82 Ų8284.2 Ų84.243%0.42951%0.513SS..  trans-64.80-173.3-84.6164.5000113.2I78 D1101 Q1104 I1147I78-L1149 HydrophobicContact CB-CD1 4.24Å; I78-L1149 HydrophobicContact CG2-CD1 3.5Å; I78-L1149 VanDerWaalsContact CG2-CD1 3.5Å; D1101-L1149 VanDerWaalsContact CB-O 3.32Å; D1101-L1149 WeakPolarHBondContact CB-O 3.21Å; D1101-L1149 VanDerWaalsContact OD2-OXT 3.13Å; Q1104-L1149 WeakPolarHBondContact CG-O 3.43Å; Q1104-L1149 PolarHBondContact NE2-O 3.16Å; Q1104-L1149 PolarHBondContact OE1-O 3.03Å; I1147-L1149 PolarHBondContact O-N 3.09Å

Retrieved 1,149 of 1,149 residues in 1075.9 ms (Link to these results)

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