A0A5K4F044_SCHMA Loading...

Protein MMS22-like

AlphaFold DB , UniProt , Accession A0A5K4F044, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 459 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
1M70.8Confident92.9Very high153 Ų15359.3 Ų59.375%0.75430%0.299SS*.  0132.40-166.5169.2-67.600105.3E5 T6M1-E5 VanDerWaalsContact CA-OE2 3.23Å; M1-E5 WeakPolarHBondContact CA-OE2 3.38Å; M1-E5 HydrophobicContact CG-CB 3.3Å; M1-E5 HydrophobicContact CG-CG 4.34Å; M1-E5 VanDerWaalsContact CG-OE2 3.28Å; M1-E5 WeakPolarHBondContact CG-OE2 3.48Å; M1-E5 HydrophobicContact SD-CB 4.11Å; M1-T6 WeakPolarHBondContact CG-OG1 3.41Å
2S90.7Very high93.1Very high47 Ų4760.7 Ų60.733%0.32931%0.313SS..  trans-65.4164.8173.764.70000110.2S4 E5 T6S2-S4 PolarHBondContact O-N 3.08Å; S2-E5 PolarHBondContact N-OE2 3.25Å; S2-E5 PolarHBondContact O-N 3.05Å; S2-E5 WeakPolarHBondContact OG-CG 3.44Å; S2-E5 PolarHBondContact OG-N 2.95Å; S2-E5 VanDerWaalsContact OG-N 3.11Å; S2-T6 PolarHBondContact O-N 3.02Å; S2-T6 VanDerWaalsContact O-N 3.07Å; S2-T6 PolarHBondContact O-OG1 3.08Å
3A93.6Very high93.3Very high3 Ų359.6 Ų59.63%0.02531%0.311CS..Hα-helixtrans-64-36.4174.400000110.3T6 C7 V38 E47 E50 I51A3-T6 PolarHBondContact O-N 3.41Å; A3-C7 VanDerWaalsContact O-CB 3.27Å; A3-C7 WeakPolarHBondContact O-CB 3.39Å; A3-C7 PolarHBondContact O-N 3.46Å; A3-V38 HydrophobicContact CB-CG2 3.77Å; A3-E47 HydrophobicContact CB-CB 3.63Å; A3-E47 HydrophobicContact CB-CG 3.77Å; A3-E50 HydrophobicContact CB-CB 4.13Å; A3-E50 WeakPolarHBondContact CB-OE2 3.19Å; A3-E50 PolarHBondContact N-OE2 2.84Å; A3-E50 VanDerWaalsContact N-OE2 3.08Å; A3-I51 HydrophobicContact CB-CG1 4.3Å
4S94.8Very high93.5Very high40 Ų4055.4 Ų55.428%0.2829%0.289SS..Hα-helixtrans-57.1-49.1172.3178.50000113.4S2 T6 C7 K8 E50 T54S2-S4 PolarHBondContact O-N 3.08Å; S4-T6 VanDerWaalsContact C-N 3.34Å; S4-T6 PolarHBondContact O-N 2.9Å; S4-C7 PolarHBondContact O-N 2.75Å; S4-K8 WeakPolarHBondContact O-CB 3.5Å; S4-K8 PolarHBondContact O-N 2.91Å; S4-E50 PolarHBondContact N-OE2 3.24Å; S4-E50 VanDerWaalsContact N-OE2 3.15Å; S4-T54 VanDerWaalsContact CA-OG1 3.32Å; S4-T54 WeakPolarHBondContact CA-OG1 3.35Å; S4-T54 VanDerWaalsContact CB-OG1 3.25Å; S4-T54 WeakPolarHBondContact CB-OG1 3.38Å; S4-T54 PolarHBondContact OG-OG1 3.38Å
5E95.3Very high93.6Very high108 Ų10852.5 Ų52.551%0.50527%0.273SS..Hα-helixtrans-63.4-40.8179.1-75.9171.6163.100111.9M1 S2 K8 K9M1-E5 VanDerWaalsContact CA-OE2 3.23Å; M1-E5 WeakPolarHBondContact CA-OE2 3.38Å; M1-E5 HydrophobicContact CG-CB 3.3Å; M1-E5 HydrophobicContact CG-CG 4.34Å; M1-E5 VanDerWaalsContact CG-OE2 3.28Å; M1-E5 WeakPolarHBondContact CG-OE2 3.48Å; M1-E5 HydrophobicContact SD-CB 4.11Å; S2-E5 PolarHBondContact N-OE2 3.25Å; S2-E5 PolarHBondContact O-N 3.05Å; S2-E5 WeakPolarHBondContact OG-CG 3.44Å; S2-E5 PolarHBondContact OG-N 2.95Å; S2-E5 VanDerWaalsContact OG-N 3.11Å; E5-K8 PolarHBondContact O-N 2.71Å; E5-K9 WeakPolarHBondContact O-CB 3.28Å; E5-K9 PolarHBondContact O-N 3.07Å
6T95.1Very high93.6Very high24 Ų2453.1 Ų53.115%0.14728%0.283CS..Hα-helixtrans-63.8-49.1177.7-54.60000110.4M1 S2 A3 S4 K8 K9 S10M1-T6 WeakPolarHBondContact CG-OG1 3.41Å; S2-T6 PolarHBondContact O-N 3.02Å; S2-T6 VanDerWaalsContact O-N 3.07Å; S2-T6 PolarHBondContact O-OG1 3.08Å; A3-T6 PolarHBondContact O-N 3.41Å; S4-T6 VanDerWaalsContact C-N 3.34Å; S4-T6 PolarHBondContact O-N 2.9Å; T6-K8 PolarHBondContact O-N 3.27Å; T6-K9 WeakPolarHBondContact O-CB 3.23Å; T6-K9 PolarHBondContact O-N 3.36Å; T6-S10 PolarHBondContact O-N 2.9Å; T6-S10 PolarHBondContact O-OG 3.22Å
7C96.6Very high93.6Very high2 Ų254.9 Ų54.91%0.01429%0.286CS..Hα-helixtrans-58.4-47.9177-177.40000111.5A3 S4 K9 S10 L11 V35 I51 T54A3-C7 VanDerWaalsContact O-CB 3.27Å; A3-C7 WeakPolarHBondContact O-CB 3.39Å; A3-C7 PolarHBondContact O-N 3.46Å; S4-C7 PolarHBondContact O-N 2.75Å; C7-K9 VanDerWaalsContact C-N 3.3Å; C7-K9 PolarHBondContact O-N 3.22Å; C7-S10 WeakPolarHBondContact O-CB 3.33Å; C7-S10 PolarHBondContact O-N 3.43Å; C7-S10 VanDerWaalsContact O-N 3.12Å; C7-L11 WeakPolarHBondContact O-CG 3.33Å; C7-L11 PolarHBondContact O-N 3.08Å; C7-V35 PolarHBondContact SG-O 2.95Å; C7-V35 VanDerWaalsContact SG-O 3.41Å; C7-I51 HydrophobicContact CB-CG1 4.2Å; C7-T54 HydrophobicContact CB-CG2 4.07Å
8K96.1Very high93.5Very high124 Ų12452.2 Ų52.254%0.53927%0.272SS..Hα-helixtrans-58.5-41.6177.1-175176.8-179.2176.90111.9S4 E5 T6 L11 V12 T54S4-K8 WeakPolarHBondContact O-CB 3.5Å; S4-K8 PolarHBondContact O-N 2.91Å; E5-K8 PolarHBondContact O-N 2.71Å; T6-K8 PolarHBondContact O-N 3.27Å; K8-L11 PolarHBondContact O-N 3.12Å; K8-V12 WeakPolarHBondContact O-CG2 3.35Å; K8-V12 PolarHBondContact O-N 3.33Å; K8-T54 HydrophobicContact CB-CG2 4.08Å
9K95.9Very high93.3Very high134 Ų13456.6 Ų56.658%0.58328%0.284SS*.Hα-helixtrans-64.7-42.9175.9-172.8-178.1176.6-1740111.5E5 T6 C7 V12 T13E5-K9 WeakPolarHBondContact O-CB 3.28Å; E5-K9 PolarHBondContact O-N 3.07Å; T6-K9 WeakPolarHBondContact O-CB 3.23Å; T6-K9 PolarHBondContact O-N 3.36Å; C7-K9 VanDerWaalsContact C-N 3.3Å; C7-K9 PolarHBondContact O-N 3.22Å; K9-V12 PolarHBondContact O-N 3.03Å; K9-T13 WeakPolarHBondContact O-CB 3.45Å; K9-T13 PolarHBondContact O-N 3.16Å; K9-T13 PolarHBondContact O-OG1 2.98Å
10S96.5Very high93.1Very high16 Ų1657.6 Ų57.611%0.11229%0.291CS..Hα-helixtrans-61.7-41.7175.5-62.30000112T6 C7 T13 L14 S34T6-S10 PolarHBondContact O-N 2.9Å; T6-S10 PolarHBondContact O-OG 3.22Å; C7-S10 WeakPolarHBondContact O-CB 3.33Å; C7-S10 PolarHBondContact O-N 3.43Å; C7-S10 VanDerWaalsContact O-N 3.12Å; S10-T13 PolarHBondContact O-N 3.11Å; S10-L14 WeakPolarHBondContact O-CB 3.4Å; S10-L14 PolarHBondContact O-N 3.08Å; S10-S34 WeakPolarHBondContact CB-O 3.3Å; S10-S34 PolarHBondContact OG-O 2.93Å; S10-S34 PolarHBondContact OG-OG 2.64Å
11L96.5Very high92.5Very high1 Ų163.7 Ų63.71%0.00532%0.318CS..Hα-helixtrans-61.9-47176.2-73.5167.4000112.2C7 K8 T13 L14 E15 V35 T54 I55 Y58 L71C7-L11 WeakPolarHBondContact O-CG 3.33Å; C7-L11 PolarHBondContact O-N 3.08Å; K8-L11 PolarHBondContact O-N 3.12Å; L11-T13 VanDerWaalsContact C-N 3.31Å; L11-T13 PolarHBondContact O-N 3.25Å; L11-L14 PolarHBondContact O-N 3.16Å; L11-E15 WeakPolarHBondContact O-CB 3.48Å; L11-E15 PolarHBondContact O-N 3.09Å; L11-V35 HydrophobicContact CD2-CG1 3.67Å; L11-V35 HydrophobicContact CD2-CG2 4.01Å; L11-V35 HydrophobicContact CG-CG1 3.97Å; L11-V35 HydrophobicContact CG-CG2 4.31Å; L11-T54 HydrophobicContact CD1-CG2 4.35Å; L11-I55 HydrophobicContact CD1-CG1 4.43Å; L11-Y58 HydrophobicContact CB-CD2 4.3Å; L11-Y58 HydrophobicContact CB-CE1 4.44Å; L11-Y58 HydrophobicContact CB-CE2 4.13Å; L11-Y58 HydrophobicContact CD1-CD1 4.35Å; L11-Y58 HydrophobicContact CD1-CD2 3.99Å; L11-Y58 HydrophobicContact CD1-CG 3.83Å; L11-L71 HydrophobicContact CB-CD1 4.46Å; L11-L71 HydrophobicContact CD2-CD1 4.04Å; L11-L71 HydrophobicContact CD2-CD2 3.5Å; L11-L71 HydrophobicContact CD2-CG 4.18Å
12V95.8Very high93.3Very high76 Ų7664.4 Ų64.446%0.46132%0.319SS..Hα-helixtrans-64.1-38.3176.7171.90000111.3K8 K9 E15 S16 Y58K8-V12 WeakPolarHBondContact O-CG2 3.35Å; K8-V12 PolarHBondContact O-N 3.33Å; K9-V12 PolarHBondContact O-N 3.03Å; V12-E15 PolarHBondContact O-N 3.28Å; V12-S16 PolarHBondContact O-N 3.46Å; V12-Y58 HydrophobicContact CG2-CE2 4.21Å
13T95.8Very high93.1Very high47 Ų4763.4 Ų63.429%0.28831%0.311SS..Hα-helixtrans-65.6-48176.8-56.40000110.8K9 S10 L11 E15 S16 Y17K9-T13 WeakPolarHBondContact O-CB 3.45Å; K9-T13 PolarHBondContact O-N 3.16Å; K9-T13 PolarHBondContact O-OG1 2.98Å; S10-T13 PolarHBondContact O-N 3.11Å; L11-T13 VanDerWaalsContact C-N 3.31Å; L11-T13 PolarHBondContact O-N 3.25Å; T13-E15 VanDerWaalsContact C-N 3.3Å; T13-E15 PolarHBondContact O-N 2.95Å; T13-S16 WeakPolarHBondContact O-CB 3.36Å; T13-S16 PolarHBondContact O-N 2.68Å; T13-S16 VanDerWaalsContact O-N 3.08Å; T13-S16 PolarHBondContact O-OG 2.64Å; T13-Y17 HydrophobicContact CG2-CD2 4.14Å; T13-Y17 HydrophobicContact CG2-CE2 3.54Å; T13-Y17 WeakPolarHBondContact O-CD2 3.47Å; T13-Y17 PolarHBondContact O-N 3Å; T13-Y17 VanDerWaalsContact O-N 3.08Å
14L95.6Very high92.9Very high0 Ų067.3 Ų67.30%033%0.332CS..Hα-helixtrans-58.5-43.717617861.3000111.4S10 L11 S16 Y17 L18 L28 S31 A32 V35 L71 E74 V75S10-L14 WeakPolarHBondContact O-CB 3.4Å; S10-L14 PolarHBondContact O-N 3.08Å; L11-L14 PolarHBondContact O-N 3.16Å; L14-S16 VanDerWaalsContact C-N 3.31Å; L14-S16 PolarHBondContact O-N 2.63Å; L14-Y17 PolarHBondContact O-N 3.34Å; L14-L18 HydrophobicContact CD1-CD1 4.43Å; L14-L18 HydrophobicContact CD1-CG 4.39Å; L14-L18 HydrophobicContact CG-CD1 4.08Å; L14-L18 HydrophobicContact CG-CG 4.48Å; L14-L18 WeakPolarHBondContact O-CG 3.26Å; L14-L18 PolarHBondContact O-N 3.05Å; L14-L28 HydrophobicContact CD1-CD2 4.23Å; L14-S31 WeakPolarHBondContact CA-OG 3.43Å; L14-A32 HydrophobicContact CD1-CB 4.49Å; L14-A32 HydrophobicContact CD2-CB 4.35Å; L14-V35 HydrophobicContact CD2-CG2 4.2Å; L14-L71 HydrophobicContact CD2-CG 4.22Å; L14-E74 HydrophobicContact CD1-CG 4.1Å; L14-E74 HydrophobicContact CD2-CB 4.49Å; L14-V75 HydrophobicContact CD2-CG2 3.69Å
15E94.3Very high92.5Very high13 Ų1369.9 Ų69.96%0.06135%0.35CS..Hα-helixtrans-58.6-42.8174.9173.7170.4173.700112.1L11 V12 T13 Y17 L18 R19 Y58 K62 M67 L71L11-E15 WeakPolarHBondContact O-CB 3.48Å; L11-E15 PolarHBondContact O-N 3.09Å; V12-E15 PolarHBondContact O-N 3.28Å; T13-E15 VanDerWaalsContact C-N 3.3Å; T13-E15 PolarHBondContact O-N 2.95Å; E15-Y17 VanDerWaalsContact C-N 3.3Å; E15-Y17 PolarHBondContact O-N 3.3Å; E15-L18 PolarHBondContact O-N 3.42Å; E15-R19 WeakPolarHBondContact O-CG 3.3Å; E15-R19 PolarHBondContact O-N 2.99Å; E15-R19 VanDerWaalsContact O-N 3.07Å; E15-R19 IonicContact OE1-CZ 3.69Å; E15-R19 IonicContact OE1-NE 3.9Å; E15-R19 PolarHBondContact OE1-NE 2.89Å; E15-R19 IonicContact OE1-NH2 3.84Å; E15-R19 PolarHBondContact OE1-NH2 3.18Å; E15-Y58 PolarHBondContact OE2-OH 3.34Å; E15-K62 IonicContact OE1-NZ 3.93Å; E15-K62 PolarHBondContact OE1-NZ 3.43Å; E15-K62 IonicContact OE2-NZ 2.9Å; E15-K62 PolarHBondContact OE2-NZ 2.88Å; E15-M67 HydrophobicContact CG-CE 4.45Å; E15-M67 HydrophobicContact CG-CG 3.86Å; E15-M67 HydrophobicContact CG-SD 3.87Å; E15-L71 HydrophobicContact CB-CD1 4.18Å
16S94.3Very high92.2Very high61 Ų6172.1 Ų72.143%0.42736%0.36SS..Hα-helixtrans-61.7-39.9177.674.80000112.1V12 T13 L14 R19 D20V12-S16 PolarHBondContact O-N 3.46Å; T13-S16 WeakPolarHBondContact O-CB 3.36Å; T13-S16 PolarHBondContact O-N 2.68Å; T13-S16 VanDerWaalsContact O-N 3.08Å; T13-S16 PolarHBondContact O-OG 2.64Å; L14-S16 VanDerWaalsContact C-N 3.31Å; L14-S16 PolarHBondContact O-N 2.63Å; S16-R19 PolarHBondContact O-N 3.48Å; S16-D20 PolarHBondContact O-N 3.09Å
17Y94.3Very high92Very high84 Ų8473.2 Ų73.233%0.32937%0.367SS..Hα-helixtrans-67.3-37.8174.2-69.5-35.2000113T13 L14 E15 R19 D20 T23 T27T13-Y17 HydrophobicContact CG2-CD2 4.14Å; T13-Y17 HydrophobicContact CG2-CE2 3.54Å; T13-Y17 WeakPolarHBondContact O-CD2 3.47Å; T13-Y17 PolarHBondContact O-N 3Å; T13-Y17 VanDerWaalsContact O-N 3.08Å; L14-Y17 PolarHBondContact O-N 3.34Å; E15-Y17 VanDerWaalsContact C-N 3.3Å; E15-Y17 PolarHBondContact O-N 3.3Å; Y17-R19 PolarHBondContact O-N 3.37Å; Y17-D20 PolarHBondContact O-N 2.91Å; Y17-D20 VanDerWaalsContact O-N 3.12Å; Y17-T23 HydrophobicContact CD1-CG2 4.16Å; Y17-T23 HydrophobicContact CG-CG2 4.11Å; Y17-T23 PolarHBondContact O-OG1 3.19Å; Y17-T27 HydrophobicContact CD2-CG2 4.25Å; Y17-T27 HydrophobicContact CE1-CG2 4.35Å; Y17-T27 HydrophobicContact CE2-CG2 4.01Å
18L90.8Very high91.7Very high7 Ų774.3 Ų74.34%0.03737%0.373CS..Hα-helixtrans-67.3-25.2176.3-72.8170.2000112.9L14 E15 L28 M67 R70 L71 E74L14-L18 HydrophobicContact CD1-CD1 4.43Å; L14-L18 HydrophobicContact CD1-CG 4.39Å; L14-L18 HydrophobicContact CG-CD1 4.08Å; L14-L18 HydrophobicContact CG-CG 4.48Å; L14-L18 WeakPolarHBondContact O-CG 3.26Å; L14-L18 PolarHBondContact O-N 3.05Å; E15-L18 PolarHBondContact O-N 3.42Å; L18-L28 HydrophobicContact CD2-CD2 3.88Å; L18-L28 HydrophobicContact CG-CD2 4.16Å; L18-M67 HydrophobicContact CB-SD 4.09Å; L18-M67 HydrophobicContact CD1-SD 4.33Å; L18-R70 HydrophobicContact CD1-CB 4.25Å; L18-R70 VanDerWaalsContact O-CZ 3.24Å; L18-R70 PolarHBondContact O-NH1 3.47Å; L18-R70 PolarHBondContact O-NH2 3.5Å; L18-L71 HydrophobicContact CD1-CB 4.19Å; L18-E74 HydrophobicContact CD2-CB 4.48Å; L18-E74 HydrophobicContact CD2-CG 4.41Å
19R90.6Very high91.3Very high135 Ų13574.9 Ų74.951%0.50938%0.375SS..Hα-helixtrans-77.5-25172.5-68.9174.4-177.8-123.3-4112.5E15 S16 Y17 E64 M67E15-R19 WeakPolarHBondContact O-CG 3.3Å; E15-R19 PolarHBondContact O-N 2.99Å; E15-R19 VanDerWaalsContact O-N 3.07Å; E15-R19 IonicContact OE1-CZ 3.69Å; E15-R19 IonicContact OE1-NE 3.9Å; E15-R19 PolarHBondContact OE1-NE 2.89Å; E15-R19 IonicContact OE1-NH2 3.84Å; E15-R19 PolarHBondContact OE1-NH2 3.18Å; S16-R19 PolarHBondContact O-N 3.48Å; Y17-R19 PolarHBondContact O-N 3.37Å; R19-E64 IonicContact CZ-OE1 3.26Å; R19-E64 IonicContact CZ-OE2 3.84Å; R19-E64 IonicContact NH2-OE1 2.76Å; R19-E64 PolarHBondContact NH2-OE1 2.92Å; R19-E64 IonicContact NH2-OE2 2.92Å; R19-E64 PolarHBondContact NH2-OE2 2.84Å; R19-M67 HydrophobicContact CG-CE 3.53Å
20D89.6Confident91.1Very high77 Ų7776 Ų7641%0.41238%0.38SS..  trans-90.1105.7177.5-177.20.7000110.9S16 Y17 H22 T23S16-D20 PolarHBondContact O-N 3.09Å; Y17-D20 PolarHBondContact O-N 2.91Å; Y17-D20 VanDerWaalsContact O-N 3.12Å; D20-H22 PolarHBondContact O-N 3.46Å; D20-H22 VanDerWaalsContact O-N 3.08Å; D20-H22 WeakPolarHBondContact OD1-CB 3.4Å; D20-H22 IonicContact OD1-CD2 2.68Å; D20-H22 IonicContact OD1-CG 3.18Å; D20-H22 PolarHBondContact OD1-N 3.31Å; D20-T23 PolarHBondContact O-N 3.42Å; D20-T23 VanDerWaalsContact O-N 3.08Å; D20-T23 PolarHBondContact O-OG1 3.38Å
21E80.6Confident90.9Very high186 Ų18675.3 Ų75.387%0.86938%0.376SS*.THydrogen-bonded Turntrans-61.3-15.1179.2-62.8-173.2168.100113.7
22H86.9Confident90.7Very high167 Ų16775.4 Ų75.477%0.77338%0.377SS*.THydrogen-bonded Turntrans-92.8-4178.6-57.2-51.6000113.7D20 N24D20-H22 PolarHBondContact O-N 3.46Å; D20-H22 VanDerWaalsContact O-N 3.08Å; D20-H22 WeakPolarHBondContact OD1-CB 3.4Å; D20-H22 IonicContact OD1-CD2 2.68Å; D20-H22 IonicContact OD1-CG 3.18Å; D20-H22 PolarHBondContact OD1-N 3.31Å; H22-N24 PolarHBondContact O-N 2.93Å
23T87.4Confident90.6Very high26 Ų2675.1 Ų75.116%0.1637%0.372CS..  trans-66125.1176.5-50.70000110.2Y17 D20 T27 L28Y17-T23 HydrophobicContact CD1-CG2 4.16Å; Y17-T23 HydrophobicContact CG-CG2 4.11Å; Y17-T23 PolarHBondContact O-OG1 3.19Å; D20-T23 PolarHBondContact O-N 3.42Å; D20-T23 VanDerWaalsContact O-N 3.08Å; D20-T23 PolarHBondContact O-OG1 3.38Å; T23-T27 HydrophobicContact CG2-CG2 3.77Å; T23-L28 HydrophobicContact CG2-CD2 4.16Å; T23-L28 HydrophobicContact CG2-CG 3.93Å
24N89.2Confident90.5Very high85 Ų8574.1 Ų74.146%0.45537%0.367SS..  trans-72.2159.7176.971.262000112H22 E26 T27 L28H22-N24 PolarHBondContact O-N 2.93Å; N24-E26 VanDerWaalsContact C-N 3.29Å; N24-E26 PolarHBondContact O-N 2.85Å; N24-E26 WeakPolarHBondContact OD1-CB 3.36Å; N24-E26 PolarHBondContact OD1-N 2.83Å; N24-T27 PolarHBondContact ND2-OG1 3.4Å; N24-T27 VanDerWaalsContact ND2-OG1 3.16Å; N24-T27 PolarHBondContact O-N 3.12Å; N24-T27 PolarHBondContact OD1-N 2.93Å; N24-T27 PolarHBondContact OD1-OG1 2.9Å; N24-T27 VanDerWaalsContact OD1-OG1 3.11Å; N24-L28 PolarHBondContact O-N 3.22Å
25S85.5Confident90.5Very high94 Ų9474.2 Ų74.266%0.65737%0.368SS*.Hα-helixtrans-64-28.5-177.255.50000114.5K29S25-K29 WeakPolarHBondContact O-CB 3.36Å; S25-K29 PolarHBondContact O-N 3.37Å
26E88.2Confident90.5Very high156 Ų15674 Ų7473%0.72937%0.367SS*.Hα-helixtrans-72.4-42.4179.9-64.2-175.8167.400111.3N24 K29 F30N24-E26 VanDerWaalsContact C-N 3.29Å; N24-E26 PolarHBondContact O-N 2.85Å; N24-E26 WeakPolarHBondContact OD1-CB 3.36Å; N24-E26 PolarHBondContact OD1-N 2.83Å; E26-K29 PolarHBondContact O-N 3.03Å; E26-F30 WeakPolarHBondContact O-CB 3.39Å; E26-F30 PolarHBondContact O-N 3.47Å
27T91.2Very high90.5Very high47 Ų4773 Ų7329%0.28836%0.359SS..Hα-helixtrans-62.1-42.9174.3-58.60000111.1Y17 T23 N24 F30 S31Y17-T27 HydrophobicContact CD2-CG2 4.25Å; Y17-T27 HydrophobicContact CE1-CG2 4.35Å; Y17-T27 HydrophobicContact CE2-CG2 4.01Å; T23-T27 HydrophobicContact CG2-CG2 3.77Å; N24-T27 PolarHBondContact ND2-OG1 3.4Å; N24-T27 VanDerWaalsContact ND2-OG1 3.16Å; N24-T27 PolarHBondContact O-N 3.12Å; N24-T27 PolarHBondContact OD1-N 2.93Å; N24-T27 PolarHBondContact OD1-OG1 2.9Å; N24-T27 VanDerWaalsContact OD1-OG1 3.11Å; T27-F30 PolarHBondContact O-N 3.21Å; T27-S31 WeakPolarHBondContact O-CB 3.33Å; T27-S31 PolarHBondContact O-N 3.43Å
28L90.2Very high90.3Very high25 Ų2569.9 Ų69.913%0.13135%0.348CS..Hα-helixtrans-60.8-48.2174.2-72.6172.5000111.7L14 L18 T23 N24 F30 S31 A32 E74L14-L28 HydrophobicContact CD1-CD2 4.23Å; L18-L28 HydrophobicContact CD2-CD2 3.88Å; L18-L28 HydrophobicContact CG-CD2 4.16Å; T23-L28 HydrophobicContact CG2-CD2 4.16Å; T23-L28 HydrophobicContact CG2-CG 3.93Å; N24-L28 PolarHBondContact O-N 3.22Å; L28-F30 PolarHBondContact O-N 2.84Å; L28-S31 PolarHBondContact O-N 3.11Å; L28-A32 WeakPolarHBondContact O-CB 3.47Å; L28-A32 PolarHBondContact O-N 2.97Å; L28-E74 HydrophobicContact CB-CG 4.49Å
29K89.3Confident90.2Very high136 Ų13676.3 Ų76.359%0.59138%0.383SS*.Hα-helixtrans-60.3-43.5178.1-174.9178.9-178-179.60112.2S25 E26 A32 N33S25-K29 WeakPolarHBondContact O-CB 3.36Å; S25-K29 PolarHBondContact O-N 3.37Å; E26-K29 PolarHBondContact O-N 3.03Å; K29-A32 PolarHBondContact O-N 3.44Å; K29-N33 VanDerWaalsContact O-CG 3.3Å; K29-N33 PolarHBondContact O-N 3.26Å; K29-N33 PolarHBondContact O-ND2 3.29Å
30F90.5Very high90Very high156 Ų15673.1 Ų73.168%0.68439%0.391SS*.Hα-helixtrans-63-46176.1-179.8-94.6000111.3E26 T27 L28 A32 N33 S34E26-F30 WeakPolarHBondContact O-CB 3.39Å; E26-F30 PolarHBondContact O-N 3.47Å; T27-F30 PolarHBondContact O-N 3.21Å; L28-F30 PolarHBondContact O-N 2.84Å; F30-A32 VanDerWaalsContact C-N 3.34Å; F30-A32 PolarHBondContact O-N 3.34Å; F30-N33 PolarHBondContact O-N 2.84Å; F30-S34 PolarHBondContact O-N 2.67Å
31S92.6Very high90.1Very high3 Ų376.9 Ų76.92%0.02140%0.404CS..Hα-helixtrans-64.1-37.6178.2-168.10000112.3L14 T27 L28 S34L14-S31 WeakPolarHBondContact CA-OG 3.43Å; T27-S31 WeakPolarHBondContact O-CB 3.33Å; T27-S31 PolarHBondContact O-N 3.43Å; L28-S31 PolarHBondContact O-N 3.11Å; S31-S34 PolarHBondContact O-N 3.11Å; S31-S34 PolarHBondContact O-OG 2.9Å
32A92.5Very high90.6Very high3 Ų374.2 Ų74.23%0.02539%0.39CS..Hα-helixtrans-63.9-46.5175.200000112L14 L28 K29 F30 S34 V35 E74L14-A32 HydrophobicContact CD1-CB 4.49Å; L14-A32 HydrophobicContact CD2-CB 4.35Å; L28-A32 WeakPolarHBondContact O-CB 3.47Å; L28-A32 PolarHBondContact O-N 2.97Å; K29-A32 PolarHBondContact O-N 3.44Å; F30-A32 VanDerWaalsContact C-N 3.34Å; F30-A32 PolarHBondContact O-N 3.34Å; A32-S34 PolarHBondContact O-N 2.9Å; A32-V35 VanDerWaalsContact O-CB 3.29Å; A32-V35 WeakPolarHBondContact O-CB 3.41Å; A32-V35 PolarHBondContact O-N 3.4Å; A32-V35 VanDerWaalsContact O-N 3.08Å; A32-E74 HydrophobicContact CB-CG 4.16Å; A32-E74 WeakPolarHBondContact CB-O 3.37Å
33N92.6Very high91Very high69 Ų6966.7 Ų66.737%0.36936%0.356SS..Hα-helixtrans-61.9-31.3175.7-70.3-17.9000112.6K29 F30 V35 L36 T37K29-N33 VanDerWaalsContact O-CG 3.3Å; K29-N33 PolarHBondContact O-N 3.26Å; K29-N33 PolarHBondContact O-ND2 3.29Å; F30-N33 PolarHBondContact O-N 2.84Å; N33-V35 PolarHBondContact O-N 3.46Å; N33-L36 PolarHBondContact O-N 3.41Å; N33-T37 PolarHBondContact O-OG1 2.75Å
34S93.9Very high91.3Very high27 Ų2767.9 Ų67.919%0.18937%0.365CS..THydrogen-bonded Turntrans-67.5-14.3177.180.80000114.2S10 F30 S31 A32 L36S10-S34 WeakPolarHBondContact CB-O 3.3Å; S10-S34 PolarHBondContact OG-O 2.93Å; S10-S34 PolarHBondContact OG-OG 2.64Å; F30-S34 PolarHBondContact O-N 2.67Å; S31-S34 PolarHBondContact O-N 3.11Å; S31-S34 PolarHBondContact O-OG 2.9Å; A32-S34 PolarHBondContact O-N 2.9Å; S34-L36 VanDerWaalsContact C-N 3.31Å
35V95.7Very high91.5Very high1 Ų168.7 Ų68.71%0.00638%0.375CS..THydrogen-bonded Turntrans-71.2-30.1174.1176.90000111.4C7 L11 L14 A32 N33 I55 V75C7-V35 PolarHBondContact SG-O 2.95Å; C7-V35 VanDerWaalsContact SG-O 3.41Å; L11-V35 HydrophobicContact CD2-CG1 3.67Å; L11-V35 HydrophobicContact CD2-CG2 4.01Å; L11-V35 HydrophobicContact CG-CG1 3.97Å; L11-V35 HydrophobicContact CG-CG2 4.31Å; L14-V35 HydrophobicContact CD2-CG2 4.2Å; A32-V35 VanDerWaalsContact O-CB 3.29Å; A32-V35 WeakPolarHBondContact O-CB 3.41Å; A32-V35 PolarHBondContact O-N 3.4Å; A32-V35 VanDerWaalsContact O-N 3.08Å; N33-V35 PolarHBondContact O-N 3.46Å; V35-I55 HydrophobicContact CG1-CD1 3.96Å; V35-I55 HydrophobicContact CG1-CG1 4.09Å; V35-V75 HydrophobicContact CB-CG2 4.26Å; V35-V75 HydrophobicContact CG1-CG1 4.47Å; V35-V75 HydrophobicContact CG1-CG2 4.34Å; V35-V75 HydrophobicContact CG2-CG2 4.03Å
36L95.3Very high92Very high9 Ų970 Ų705%0.04737%0.374CS..SBendtrans-104.97.2-172-54.3-178.7000113.5N33 S34 P43 I51 I55 V75 F76 C86 F89N33-L36 PolarHBondContact O-N 3.41Å; S34-L36 VanDerWaalsContact C-N 3.31Å; L36-P43 WeakPolarHBondContact O-CD 3.23Å; L36-I51 HydrophobicContact CD2-CG2 4.35Å; L36-I55 HydrophobicContact CD2-CD1 3.68Å; L36-V75 HydrophobicContact CD1-CG1 4.1Å; L36-V75 HydrophobicContact CD2-CG1 4.11Å; L36-V75 HydrophobicContact CG-CG1 4.12Å; L36-F76 HydrophobicContact CD1-CE1 4.11Å; L36-F76 HydrophobicContact CD2-CE1 4.46Å; L36-F76 HydrophobicContact CD2-CZ 4.18Å; L36-C86 HydrophobicContact CD1-CB 4.15Å; L36-C86 VanDerWaalsContact CD1-SG 3.6Å; L36-F89 HydrophobicContact CB-CD2 4.09Å; L36-F89 HydrophobicContact CB-CE2 4.12Å; L36-F89 HydrophobicContact CD1-CB 4.17Å; L36-F89 HydrophobicContact CD1-CD2 4.15Å; L36-F89 HydrophobicContact CD1-CG 4.26Å; L36-F89 HydrophobicContact CD2-CB 4.11Å; L36-F89 HydrophobicContact CD2-CD1 4.01Å; L36-F89 HydrophobicContact CD2-CD2 4.28Å; L36-F89 HydrophobicContact CD2-CG 3.87Å; L36-F89 HydrophobicContact CG-CD2 4.41Å; L36-F89 HydrophobicContact CG-CG 4.45Å
37T93.6Very high92.4Very high41 Ų4165.4 Ų65.425%0.25235%0.352SS..  trans-128.7150.2-176.8530000111.1N33 K41N33-T37 PolarHBondContact O-OG1 2.75Å; T37-K41 WeakPolarHBondContact CA-O 3.32Å; T37-K41 VanDerWaalsContact CB-O 3.28Å; T37-K41 WeakPolarHBondContact CB-O 3.29Å
38V90.8Very high92.6Very high17 Ų1764.2 Ų64.210%0.10334%0.344CS..BIsolated β-bridgetrans-110.7121.7172.9-178.70000107.4A3 G40 K41 P43 E47 I51A3-V38 HydrophobicContact CB-CG2 3.77Å; V38-G40 PolarHBondContact O-N 2.86Å; V38-G40 VanDerWaalsContact O-N 3.1Å; V38-K41 PolarHBondContact N-O 3.4Å; V38-K41 WeakPolarHBondContact O-CB 3.25Å; V38-K41 PolarHBondContact O-N 3.44Å; V38-P43 HydrophobicContact CG2-CB 4.14Å; V38-E47 HydrophobicContact CG2-CB 4.28Å; V38-I51 HydrophobicContact CG2-CD1 4.07Å
39D87.2Confident92.8Very high143 Ų14367.4 Ų67.477%0.76536%0.364SS*.THydrogen-bonded Turntrans5134-174.6-59.8-36.4000113.7K41D39-K41 PolarHBondContact O-N 2.94Å
40G87.2Confident93.2Very high67 Ų6763.8 Ų63.869%0.69135%0.349SS*.THydrogen-bonded Turntrans7210.1-177.400000114.9V38V38-G40 PolarHBondContact O-N 2.86Å; V38-G40 VanDerWaalsContact O-N 3.1Å
41K91.2Very high93.5Very high156 Ų15656.4 Ų56.468%0.67832%0.317SS*.BIsolated β-bridgetrans-109.5161.2177.1-63.1177.5-176.3172.20111.1T37 V38 D39T37-K41 WeakPolarHBondContact CA-O 3.32Å; T37-K41 VanDerWaalsContact CB-O 3.28Å; T37-K41 WeakPolarHBondContact CB-O 3.29Å; V38-K41 PolarHBondContact N-O 3.4Å; V38-K41 WeakPolarHBondContact O-CB 3.25Å; V38-K41 PolarHBondContact O-N 3.44Å; D39-K41 PolarHBondContact O-N 2.94Å
42K92.2Very high93.7Very high131 Ų13157 Ų5757%0.5732%0.32SS*.PPolyproline II helixtrans-61.5128.2170.4-174.4169.2-177149.40109.3D85K42-D85 IonicContact NZ-OD1 3.54Å; K42-D85 PolarHBondContact NZ-OD1 3.19Å
43P94.2Very high93.9Very high9 Ų960.9 Ų60.96%0.05834%0.34CS..PPolyproline II helixtrans-65.4153.3178.222.7-29.7000112L36 V38 E47 E48 I51 F89L36-P43 WeakPolarHBondContact O-CD 3.23Å; V38-P43 HydrophobicContact CG2-CB 4.14Å; P43-E47 HydrophobicContact CB-CB 3.64Å; P43-E48 HydrophobicContact CB-CG 4.08Å; P43-E48 HydrophobicContact CG-CG 3.73Å; P43-I51 HydrophobicContact CB-CD1 3.84Å; P43-I51 HydrophobicContact CG-CD1 3.81Å; P43-F89 HydrophobicContact CG-CE2 4.24Å; P43-F89 HydrophobicContact CG-CZ 3.63Å
44S95.1Very high94.1Very high51 Ų5158.1 Ų58.136%0.35733%0.325SS..PPolyproline II helixtrans-70.6163.6165.267.20000111.2L46 E47 E48S44-L46 PolarHBondContact O-N 3.34Å; S44-L46 VanDerWaalsContact O-N 3.14Å; S44-E47 VanDerWaalsContact CB-OE2 3.29Å; S44-E47 WeakPolarHBondContact CB-OE2 3.27Å; S44-E47 PolarHBondContact N-OE2 3.43Å; S44-E47 CarbonylContact O-C 2.97Å; S44-E47 WeakPolarHBondContact O-CB 3.35Å; S44-E47 PolarHBondContact O-N 3.07Å; S44-E47 VanDerWaalsContact OG-CD 3.26Å; S44-E47 VanDerWaalsContact OG-CG 3.28Å; S44-E47 WeakPolarHBondContact OG-CG 3.27Å; S44-E47 PolarHBondContact OG-OE2 3.21Å; S44-E48 WeakPolarHBondContact O-CG 3.26Å; S44-E48 PolarHBondContact O-N 3.21Å
45P93.5Very high94.3Very high102 Ų10257 Ų5766%0.66232%0.318SS*.Hα-helixtrans-56.6-32.9-178-28.636.1000115.2V49P45-V49 WeakPolarHBondContact O-CG2 3.32Å; P45-V49 PolarHBondContact O-N 3.06Å
46L94.7Very high94.3Very high122 Ų12257.1 Ų57.164%0.63932%0.318SS*.Hα-helixtrans-71.7-42.9175.9-178.363.6000111.2S44 E48 V49 E50S44-L46 PolarHBondContact O-N 3.34Å; S44-L46 VanDerWaalsContact O-N 3.14Å; L46-E48 VanDerWaalsContact C-N 3.3Å; L46-E48 PolarHBondContact O-N 3.03Å; L46-V49 PolarHBondContact O-N 3.45Å; L46-E50 PolarHBondContact O-N 3.19Å
47E96.8Very high94.3Very high59 Ų5959.5 Ų59.528%0.27633%0.333SS..Hα-helixtrans-65.6-34.5176.6-65169136.600111.4A3 V38 P43 S44 V49 E50 I51A3-E47 HydrophobicContact CB-CB 3.63Å; A3-E47 HydrophobicContact CB-CG 3.77Å; V38-E47 HydrophobicContact CG2-CB 4.28Å; P43-E47 HydrophobicContact CB-CB 3.64Å; S44-E47 VanDerWaalsContact CB-OE2 3.29Å; S44-E47 WeakPolarHBondContact CB-OE2 3.27Å; S44-E47 PolarHBondContact N-OE2 3.43Å; S44-E47 CarbonylContact O-C 2.97Å; S44-E47 WeakPolarHBondContact O-CB 3.35Å; S44-E47 PolarHBondContact O-N 3.07Å; S44-E47 VanDerWaalsContact OG-CD 3.26Å; S44-E47 VanDerWaalsContact OG-CG 3.28Å; S44-E47 WeakPolarHBondContact OG-CG 3.27Å; S44-E47 PolarHBondContact OG-OE2 3.21Å; E47-V49 VanDerWaalsContact C-N 3.34Å; E47-V49 PolarHBondContact O-N 3.33Å; E47-E50 PolarHBondContact O-N 3.45Å; E47-I51 WeakPolarHBondContact O-CB 3.46Å; E47-I51 WeakPolarHBondContact O-CD1 3.24Å; E47-I51 WeakPolarHBondContact O-CG1 3.41Å; E47-I51 PolarHBondContact O-N 2.81Å
48E95.6Very high94.4Very high22 Ų2259.5 Ų59.510%0.10333%0.329CS..Hα-helixtrans-56.7-47.4171.5-74.6-178-174.400111P43 S44 L46 I51 L52 Y88 F89P43-E48 HydrophobicContact CB-CG 4.08Å; P43-E48 HydrophobicContact CG-CG 3.73Å; S44-E48 WeakPolarHBondContact O-CG 3.26Å; S44-E48 PolarHBondContact O-N 3.21Å; L46-E48 VanDerWaalsContact C-N 3.3Å; L46-E48 PolarHBondContact O-N 3.03Å; E48-I51 PolarHBondContact O-N 2.94Å; E48-L52 WeakPolarHBondContact O-CB 3.29Å; E48-L52 WeakPolarHBondContact O-CG 3.36Å; E48-L52 PolarHBondContact O-N 3Å; E48-Y88 WeakPolarHBondContact OE2-CE1 3.38Å; E48-Y88 PolarHBondContact OE2-OH 3.44Å; E48-F89 HydrophobicContact CB-CE1 4.47Å; E48-F89 HydrophobicContact CG-CE1 4.38Å; E48-F89 HydrophobicContact CG-CZ 3.95Å
49V95.1Very high94.5Very high91 Ų9158.8 Ų58.855%0.55233%0.325SS*.Hα-helixtrans-63.1-44.1177.6174.80000111.2P45 L46 E47 I51 L52 D53P45-V49 WeakPolarHBondContact O-CG2 3.32Å; P45-V49 PolarHBondContact O-N 3.06Å; L46-V49 PolarHBondContact O-N 3.45Å; E47-V49 VanDerWaalsContact C-N 3.34Å; E47-V49 PolarHBondContact O-N 3.33Å; V49-I51 VanDerWaalsContact C-N 3.33Å; V49-I51 PolarHBondContact O-N 3.27Å; V49-L52 PolarHBondContact O-N 2.97Å; V49-D53 WeakPolarHBondContact O-CB 3.44Å; V49-D53 PolarHBondContact O-N 3.24Å
50E97Very high94.8Very high61 Ų6155.7 Ų55.729%0.28531%0.306SS..Hα-helixtrans-60.2-41.7175.9-72.7-174.4-159.900112.5A3 S4 L46 E47 T54A3-E50 HydrophobicContact CB-CB 4.13Å; A3-E50 WeakPolarHBondContact CB-OE2 3.19Å; A3-E50 PolarHBondContact N-OE2 2.84Å; A3-E50 VanDerWaalsContact N-OE2 3.08Å; S4-E50 PolarHBondContact N-OE2 3.24Å; S4-E50 VanDerWaalsContact N-OE2 3.15Å; L46-E50 PolarHBondContact O-N 3.19Å; E47-E50 PolarHBondContact O-N 3.45Å; E50-T54 VanDerWaalsContact O-CB 3.27Å; E50-T54 WeakPolarHBondContact O-CB 3.45Å; E50-T54 PolarHBondContact O-N 3.46Å; E50-T54 PolarHBondContact O-OG1 2.92Å
51I97.2Very high95.1Very high1 Ų158.6 Ų58.61%0.00531%0.305CS..Hα-helixtrans-64.8-47.8177.5-71.9164.3000110.3A3 C7 L36 V38 P43 E47 E48 V49 D53 T54 I55 F89A3-I51 HydrophobicContact CB-CG1 4.3Å; C7-I51 HydrophobicContact CB-CG1 4.2Å; L36-I51 HydrophobicContact CD2-CG2 4.35Å; V38-I51 HydrophobicContact CG2-CD1 4.07Å; P43-I51 HydrophobicContact CB-CD1 3.84Å; P43-I51 HydrophobicContact CG-CD1 3.81Å; E47-I51 WeakPolarHBondContact O-CB 3.46Å; E47-I51 WeakPolarHBondContact O-CD1 3.24Å; E47-I51 WeakPolarHBondContact O-CG1 3.41Å; E47-I51 PolarHBondContact O-N 2.81Å; E48-I51 PolarHBondContact O-N 2.94Å; V49-I51 VanDerWaalsContact C-N 3.33Å; V49-I51 PolarHBondContact O-N 3.27Å; I51-D53 PolarHBondContact O-N 2.88Å; I51-T54 PolarHBondContact O-N 3.2Å; I51-I55 HydrophobicContact CG2-CD1 3.7Å; I51-I55 HydrophobicContact CG2-CG1 4.39Å; I51-I55 VanDerWaalsContact O-CG1 3.31Å; I51-I55 WeakPolarHBondContact O-CG1 3.12Å; I51-I55 PolarHBondContact O-N 3.42Å; I51-F89 HydrophobicContact CB-CE1 4.27Å; I51-F89 HydrophobicContact CG2-CD1 4.34Å; I51-F89 HydrophobicContact CG2-CE1 3.82Å
52L97Very high95.1Very high16 Ų1652.9 Ų52.98%0.08428%0.281CS..Hα-helixtrans-59.8-47.3179.5-71.7168.8000111.8E48 V49 T54 I55 A56 F89 K92 L93 L96E48-L52 WeakPolarHBondContact O-CB 3.29Å; E48-L52 WeakPolarHBondContact O-CG 3.36Å; E48-L52 PolarHBondContact O-N 3Å; V49-L52 PolarHBondContact O-N 2.97Å; L52-T54 VanDerWaalsContact C-N 3.32Å; L52-T54 PolarHBondContact O-N 3.27Å; L52-I55 PolarHBondContact O-N 3.08Å; L52-A56 VanDerWaalsContact O-CB 3.31Å; L52-A56 WeakPolarHBondContact O-CB 3.47Å; L52-A56 PolarHBondContact O-N 3.27Å; L52-F89 HydrophobicContact CD2-CD1 3.83Å; L52-F89 HydrophobicContact CD2-CE1 4.5Å; L52-F89 HydrophobicContact CG-CD1 4.21Å; L52-F89 HydrophobicContact CG-CE1 4.4Å; L52-K92 HydrophobicContact CD1-CB 3.64Å; L52-K92 HydrophobicContact CD2-CB 4.07Å; L52-L93 HydrophobicContact CD2-CB 3.81Å; L52-L96 HydrophobicContact CB-CD2 4.12Å
53D96.3Very high94.8Very high83 Ų8354.1 Ų54.144%0.44429%0.293SS..Hα-helixtrans-62.6-40.1176.7-176.467.7000111.8V49 I51 A56 T57V49-D53 WeakPolarHBondContact O-CB 3.44Å; V49-D53 PolarHBondContact O-N 3.24Å; I51-D53 PolarHBondContact O-N 2.88Å; D53-A56 PolarHBondContact O-N 3.36Å; D53-T57 VanDerWaalsContact O-CB 3.23Å; D53-T57 WeakPolarHBondContact O-CB 3.42Å; D53-T57 PolarHBondContact O-N 2.82Å; D53-T57 PolarHBondContact O-OG1 3.24Å
54T97Very high94.6Very high11 Ų1158 Ų587%0.06731%0.311CS..Hα-helixtrans-65.1-45.7177.5-59.70000111.7S4 C7 K8 L11 E50 I51 L52 Y58S4-T54 VanDerWaalsContact CA-OG1 3.32Å; S4-T54 WeakPolarHBondContact CA-OG1 3.35Å; S4-T54 VanDerWaalsContact CB-OG1 3.25Å; S4-T54 WeakPolarHBondContact CB-OG1 3.38Å; S4-T54 PolarHBondContact OG-OG1 3.38Å; C7-T54 HydrophobicContact CB-CG2 4.07Å; K8-T54 HydrophobicContact CB-CG2 4.08Å; L11-T54 HydrophobicContact CD1-CG2 4.35Å; E50-T54 VanDerWaalsContact O-CB 3.27Å; E50-T54 WeakPolarHBondContact O-CB 3.45Å; E50-T54 PolarHBondContact O-N 3.46Å; E50-T54 PolarHBondContact O-OG1 2.92Å; I51-T54 PolarHBondContact O-N 3.2Å; L52-T54 VanDerWaalsContact C-N 3.32Å; L52-T54 PolarHBondContact O-N 3.27Å; T54-Y58 VanDerWaalsContact O-CB 3.24Å; T54-Y58 WeakPolarHBondContact O-CB 3.37Å; T54-Y58 PolarHBondContact O-N 2.62Å
55I96.8Very high94.2Very high5 Ų560.6 Ų60.63%0.02632%0.317CS..Hα-helixtrans-62.5-48.1177-67.8167.2000110L11 V35 L36 I51 L52 T57 Y58 V59 L93L11-I55 HydrophobicContact CD1-CG1 4.43Å; V35-I55 HydrophobicContact CG1-CD1 3.96Å; V35-I55 HydrophobicContact CG1-CG1 4.09Å; L36-I55 HydrophobicContact CD2-CD1 3.68Å; I51-I55 HydrophobicContact CG2-CD1 3.7Å; I51-I55 HydrophobicContact CG2-CG1 4.39Å; I51-I55 VanDerWaalsContact O-CG1 3.31Å; I51-I55 WeakPolarHBondContact O-CG1 3.12Å; I51-I55 PolarHBondContact O-N 3.42Å; L52-I55 PolarHBondContact O-N 3.08Å; I55-T57 PolarHBondContact O-N 3.45Å; I55-Y58 PolarHBondContact O-N 3.31Å; I55-V59 HydrophobicContact CG2-CG2 4.45Å; I55-V59 WeakPolarHBondContact O-CG2 3.45Å; I55-V59 PolarHBondContact O-N 3.07Å; I55-L93 HydrophobicContact CG2-CD1 4.42Å; I55-L93 HydrophobicContact CG2-CD2 3.88Å
56A96.3Very high93.8Very high2 Ų258.9 Ų58.92%0.01730%0.303CS..Hα-helixtrans-57.5-51.8178.700000110.9L52 D53 Y58 V59 M60 L93 L102L52-A56 VanDerWaalsContact O-CB 3.31Å; L52-A56 WeakPolarHBondContact O-CB 3.47Å; L52-A56 PolarHBondContact O-N 3.27Å; D53-A56 PolarHBondContact O-N 3.36Å; A56-Y58 VanDerWaalsContact C-N 3.33Å; A56-Y58 PolarHBondContact O-N 3.04Å; A56-V59 PolarHBondContact O-N 3.45Å; A56-M60 WeakPolarHBondContact O-CB 2.89Å; A56-M60 WeakPolarHBondContact O-CG 3.35Å; A56-M60 PolarHBondContact O-N 3.32Å; A56-L93 HydrophobicContact CB-CD1 3.98Å; A56-L102 HydrophobicContact CB-CD1 3.87Å
57T96Very high93.6Very high60 Ų6053.8 Ų53.837%0.36828%0.276SS..Hα-helixtrans-60.2-42177.6-640000111.9D53 I55 M60 L61D53-T57 VanDerWaalsContact O-CB 3.23Å; D53-T57 WeakPolarHBondContact O-CB 3.42Å; D53-T57 PolarHBondContact O-N 2.82Å; D53-T57 PolarHBondContact O-OG1 3.24Å; I55-T57 PolarHBondContact O-N 3.45Å; T57-M60 PolarHBondContact O-N 2.99Å; T57-L61 HydrophobicContact CG2-CD1 3.62Å; T57-L61 HydrophobicContact CG2-CG 4.23Å; T57-L61 WeakPolarHBondContact O-CB 3.49Å; T57-L61 VanDerWaalsContact O-CG 3.3Å; T57-L61 WeakPolarHBondContact O-CG 3.15Å; T57-L61 PolarHBondContact O-N 3.06Å
58Y95.4Very high93.2Very high40 Ų4051.9 Ų51.916%0.15727%0.266CS..Hα-helixtrans-61.6-47.4178.2-164.2-87.4000111.5L11 V12 E15 T54 I55 A56 L61 K62 L71L11-Y58 HydrophobicContact CB-CD2 4.3Å; L11-Y58 HydrophobicContact CB-CE1 4.44Å; L11-Y58 HydrophobicContact CB-CE2 4.13Å; L11-Y58 HydrophobicContact CD1-CD1 4.35Å; L11-Y58 HydrophobicContact CD1-CD2 3.99Å; L11-Y58 HydrophobicContact CD1-CG 3.83Å; V12-Y58 HydrophobicContact CG2-CE2 4.21Å; E15-Y58 PolarHBondContact OE2-OH 3.34Å; T54-Y58 VanDerWaalsContact O-CB 3.24Å; T54-Y58 WeakPolarHBondContact O-CB 3.37Å; T54-Y58 PolarHBondContact O-N 2.62Å; I55-Y58 PolarHBondContact O-N 3.31Å; A56-Y58 VanDerWaalsContact C-N 3.33Å; A56-Y58 PolarHBondContact O-N 3.04Å; Y58-L61 PolarHBondContact O-N 3.44Å; Y58-K62 HydrophobicContact CE1-CD 4.21Å; Y58-K62 WeakPolarHBondContact O-CB 3.39Å; Y58-K62 PolarHBondContact O-N 3.32Å; Y58-K62 VanDerWaalsContact O-N 3.11Å; Y58-L71 HydrophobicContact CE1-CD1 3.88Å
59V93Very high92.9Very high3 Ų350.9 Ų50.92%0.01826%0.262CS..Hα-helixtrans-62.8-42.3177.4169.20000111.2I55 A56 K62 K68 V105 I108I55-V59 HydrophobicContact CG2-CG2 4.45Å; I55-V59 WeakPolarHBondContact O-CG2 3.45Å; I55-V59 PolarHBondContact O-N 3.07Å; A56-V59 PolarHBondContact O-N 3.45Å; V59-K62 PolarHBondContact O-N 3.01Å; V59-K68 HydrophobicContact CG1-CD 4.05Å; V59-K68 HydrophobicContact CG1-CG 4.03Å; V59-K68 VanDerWaalsContact O-CD 3.29Å; V59-K68 WeakPolarHBondContact O-CD 3.44Å; V59-V105 HydrophobicContact CB-CG2 4.31Å; V59-V105 HydrophobicContact CG1-CG2 3.97Å; V59-I108 HydrophobicContact CG1-CD1 3.54Å
60M93.1Very high92.6Very high77 Ų7749.9 Ų49.938%0.37925%0.248SC..Hα-helixtrans-64.6-38.8179.5-72.9-63.1-61.800113.1A56 T57 L102 P104 V105A56-M60 WeakPolarHBondContact O-CB 2.89Å; A56-M60 WeakPolarHBondContact O-CG 3.35Å; A56-M60 PolarHBondContact O-N 3.32Å; T57-M60 PolarHBondContact O-N 2.99Å; M60-L102 HydrophobicContact SD-CB 4.27Å; M60-P104 HydrophobicContact CE-CG 3.75Å; M60-P104 HydrophobicContact SD-CB 3.67Å; M60-P104 WeakPolarHBondContact SD-CD 3.24Å; M60-P104 HydrophobicContact SD-CG 3.5Å; M60-P104 VanDerWaalsContact SD-CG 3.5Å; M60-V105 HydrophobicContact CG-CG2 4.28Å; M60-V105 HydrophobicContact SD-CG2 4.23Å
61L93.1Very high92.4Very high128 Ų12847.2 Ų47.267%0.6724%0.236SC*.Hα-helixtrans-89.2-6.7-177.2-63.2177.8000113.4T57 Y58 N63T57-L61 HydrophobicContact CG2-CD1 3.62Å; T57-L61 HydrophobicContact CG2-CG 4.23Å; T57-L61 WeakPolarHBondContact O-CB 3.49Å; T57-L61 VanDerWaalsContact O-CG 3.3Å; T57-L61 WeakPolarHBondContact O-CG 3.15Å; T57-L61 PolarHBondContact O-N 3.06Å; Y58-L61 PolarHBondContact O-N 3.44Å; L61-N63 PolarHBondContact O-N 2.91Å
62K91.7Very high92.2Very high36 Ų3647.2 Ų47.216%0.15724%0.236CC..  trans-78.8107.8-177.5-167.771.3179.41800111.3E15 Y58 V59 K68E15-K62 IonicContact OE1-NZ 3.93Å; E15-K62 PolarHBondContact OE1-NZ 3.43Å; E15-K62 IonicContact OE2-NZ 2.9Å; E15-K62 PolarHBondContact OE2-NZ 2.88Å; Y58-K62 HydrophobicContact CE1-CD 4.21Å; Y58-K62 WeakPolarHBondContact O-CB 3.39Å; Y58-K62 PolarHBondContact O-N 3.32Å; Y58-K62 VanDerWaalsContact O-N 3.11Å; V59-K62 PolarHBondContact O-N 3.01Å; K62-K68 HydrophobicContact CB-CB 4.11Å; K62-K68 HydrophobicContact CB-CD 4.4Å; K62-K68 HydrophobicContact CB-CG 4.3Å; K62-K68 HydrophobicContact CG-CB 3.86Å
63N86.9Confident92Very high157 Ų15747.5 Ų47.584%0.8424%0.236SC*.  trans-73.9-30.5178.5-66.6-24.1000113.9L61 E65L61-N63 PolarHBondContact O-N 2.91Å; N63-E65 PolarHBondContact O-N 3.49Å; N63-E65 VanDerWaalsContact O-N 3.09Å
64E88.8Confident91.7Very high91 Ų9145.3 Ų45.343%0.42522%0.224SC..  trans-75.496.1175.5-68.5177.5-157.400109.5R19 D66 M67 K68R19-E64 IonicContact CZ-OE1 3.26Å; R19-E64 IonicContact CZ-OE2 3.84Å; R19-E64 IonicContact NH2-OE1 2.76Å; R19-E64 PolarHBondContact NH2-OE1 2.92Å; R19-E64 IonicContact NH2-OE2 2.92Å; R19-E64 PolarHBondContact NH2-OE2 2.84Å; E64-D66 PolarHBondContact O-N 2.72Å; E64-M67 HydrophobicContact CB-CB 3.89Å; E64-M67 PolarHBondContact O-N 3.24Å; E64-M67 WeakPolarHBondContact OE2-CB 3.42Å; E64-K68 WeakPolarHBondContact O-CB 3.31Å; E64-K68 PolarHBondContact O-N 3.3Å
65E86.2Confident91.6Very high105 Ų10545.1 Ų45.149%0.49122%0.222SC..Hα-helixtrans-56.4-52.7-178.4-65.7-163.6142.200111.7N63 M67 K68 Y69N63-E65 PolarHBondContact O-N 3.49Å; N63-E65 VanDerWaalsContact O-N 3.09Å; E65-M67 VanDerWaalsContact C-N 3.27Å; E65-M67 PolarHBondContact O-N 2.96Å; E65-K68 WeakPolarHBondContact O-CA 3.46Å; E65-K68 VanDerWaalsContact O-CB 3.26Å; E65-K68 WeakPolarHBondContact O-CB 3.31Å; E65-K68 PolarHBondContact O-N 3.15Å; E65-Y69 HydrophobicContact CB-CE2 4.49Å; E65-Y69 WeakPolarHBondContact O-CD2 3.49Å; E65-Y69 PolarHBondContact O-N 3.48Å
66D86.4Confident91.4Very high67 Ų6745 Ų4536%0.35822%0.221SC..Hα-helixtrans-50-47179.1-83-19.8000112.6E64 R70 F272E64-D66 PolarHBondContact O-N 2.72Å; D66-R70 VanDerWaalsContact O-CG 3.3Å; D66-R70 WeakPolarHBondContact O-CG 3.31Å; D66-R70 PolarHBondContact O-N 3.23Å; D66-R70 VanDerWaalsContact O-N 3.09Å; D66-F272 HydrophobicContact CB-CE2 3.67Å; D66-F272 HydrophobicContact CB-CZ 4.36Å
67M89.3Confident91.1Very high14 Ų1445.4 Ų45.47%0.06922%0.224CC..Hα-helixtrans-69.4-38.2178.8-17255.366.500112.5E15 L18 R19 E64 E65 Y69 R70 L71E15-M67 HydrophobicContact CG-CE 4.45Å; E15-M67 HydrophobicContact CG-CG 3.86Å; E15-M67 HydrophobicContact CG-SD 3.87Å; L18-M67 HydrophobicContact CB-SD 4.09Å; L18-M67 HydrophobicContact CD1-SD 4.33Å; R19-M67 HydrophobicContact CG-CE 3.53Å; E64-M67 HydrophobicContact CB-CB 3.89Å; E64-M67 PolarHBondContact O-N 3.24Å; E64-M67 WeakPolarHBondContact OE2-CB 3.42Å; E65-M67 VanDerWaalsContact C-N 3.27Å; E65-M67 PolarHBondContact O-N 2.96Å; M67-Y69 PolarHBondContact O-N 3.46Å; M67-R70 PolarHBondContact O-N 2.96Å; M67-L71 VanDerWaalsContact O-CB 3.26Å; M67-L71 WeakPolarHBondContact O-CB 3.38Å; M67-L71 PolarHBondContact O-N 3.49Å
68K89.9Confident90.6Very high19 Ų1942.6 Ų42.68%0.08321%0.207CC..Hα-helixtrans-56.5-48175.8177.1-177.662.6-173.60111.3V59 K62 E64 E65 F72 I108V59-K68 HydrophobicContact CG1-CD 4.05Å; V59-K68 HydrophobicContact CG1-CG 4.03Å; V59-K68 VanDerWaalsContact O-CD 3.29Å; V59-K68 WeakPolarHBondContact O-CD 3.44Å; K62-K68 HydrophobicContact CB-CB 4.11Å; K62-K68 HydrophobicContact CB-CD 4.4Å; K62-K68 HydrophobicContact CB-CG 4.3Å; K62-K68 HydrophobicContact CG-CB 3.86Å; E64-K68 WeakPolarHBondContact O-CB 3.31Å; E64-K68 PolarHBondContact O-N 3.3Å; E65-K68 WeakPolarHBondContact O-CA 3.46Å; E65-K68 VanDerWaalsContact O-CB 3.26Å; E65-K68 WeakPolarHBondContact O-CB 3.31Å; E65-K68 PolarHBondContact O-N 3.15Å; K68-F72 WeakPolarHBondContact O-CB 3.22Å; K68-F72 PolarHBondContact O-N 3.08Å; K68-I108 HydrophobicContact CD-CD1 3.99Å; K68-I108 HydrophobicContact CG-CD1 3.73Å
69Y89Confident89.8Confident1 Ų143.3 Ų43.30%0.00421%0.214CC..Hα-helixtrans-68.3-44177.7-75.2-91.5000112.2E65 M67 L71 F72 F73 I108 L111 Y270E65-Y69 HydrophobicContact CB-CE2 4.49Å; E65-Y69 WeakPolarHBondContact O-CD2 3.49Å; E65-Y69 PolarHBondContact O-N 3.48Å; M67-Y69 PolarHBondContact O-N 3.46Å; Y69-L71 PolarHBondContact O-N 2.92Å; Y69-F72 PolarHBondContact O-N 2.93Å; Y69-F73 AromaticContact CD1-CE2 3.76Å; Y69-F73 HydrophobicContact CD1-CE2 3.76Å; Y69-F73 HydrophobicContact CD1-CZ 4.35Å; Y69-F73 HydrophobicContact CG-CE2 4.44Å; Y69-F73 WeakPolarHBondContact O-CD2 3.47Å; Y69-F73 PolarHBondContact O-N 2.88Å; Y69-I108 HydrophobicContact CD1-CB 4.38Å; Y69-I108 HydrophobicContact CD1-CG1 3.99Å; Y69-I108 HydrophobicContact CD1-CG2 3.81Å; Y69-I108 HydrophobicContact CE1-CB 4.01Å; Y69-I108 HydrophobicContact CE1-CD1 4.4Å; Y69-I108 HydrophobicContact CE1-CG1 3.47Å; Y69-I108 VanDerWaalsContact CE1-CG1 3.47Å; Y69-I108 HydrophobicContact CE1-CG2 3.94Å; Y69-I108 HydrophobicContact CE2-CG1 4.34Å; Y69-L111 HydrophobicContact CD1-CD2 4.4Å; Y69-L111 HydrophobicContact CE1-CD2 4.28Å; Y69-Y270 AromaticContact CD1-CD1 3.54Å; Y69-Y270 HydrophobicContact CD1-CD1 3.54Å; Y69-Y270 HydrophobicContact CD1-CD2 4.3Å; Y69-Y270 AromaticContact CD1-CE1 3.93Å; Y69-Y270 HydrophobicContact CD1-CE1 3.93Å; Y69-Y270 AromaticContact CD1-CG 3.76Å; Y69-Y270 HydrophobicContact CD1-CG 3.76Å; Y69-Y270 AromaticContact CD2-CD1 3.32Å; Y69-Y270 HydrophobicContact CD2-CD1 3.32Å; Y69-Y270 AromaticContact CD2-CE1 3.54Å; Y69-Y270 HydrophobicContact CD2-CE1 3.54Å; Y69-Y270 HydrophobicContact CD2-CG 4.3Å; Y69-Y270 AromaticContact CE1-CD1 3.48Å; Y69-Y270 HydrophobicContact CE1-CD1 3.48Å; Y69-Y270 VanDerWaalsContact CE1-CD1 3.48Å; Y69-Y270 AromaticContact CE1-CD2 4Å; Y69-Y270 HydrophobicContact CE1-CD2 4Å; Y69-Y270 AromaticContact CE1-CE1 3.35Å; Y69-Y270 HydrophobicContact CE1-CE1 3.35Å; Y69-Y270 AromaticContact CE1-CE2 3.77Å; Y69-Y270 HydrophobicContact CE1-CE2 3.77Å; Y69-Y270 AromaticContact CE1-CG 3.81Å; Y69-Y270 HydrophobicContact CE1-CG 3.81Å; Y69-Y270 AromaticContact CE1-CZ 3.46Å; Y69-Y270 VanDerWaalsContact CE1-CZ 3.46Å; Y69-Y270 AromaticContact CE2-CD1 3.38Å; Y69-Y270 HydrophobicContact CE2-CD1 3.38Å; Y69-Y270 AromaticContact CE2-CE1 3.02Å; Y69-Y270 HydrophobicContact CE2-CE1 3.02Å; Y69-Y270 HydrophobicContact CE2-CG 4.47Å; Y69-Y270 AromaticContact CE2-CZ 3.83Å; Y69-Y270 AromaticContact CG-CD1 3.49Å; Y69-Y270 HydrophobicContact CG-CD1 3.49Å; Y69-Y270 VanDerWaalsContact CG-CD1 3.49Å; Y69-Y270 HydrophobicContact CG-CE1 4.03Å; Y69-Y270 HydrophobicContact CG-CG 4.04Å; Y69-Y270 AromaticContact CZ-CD1 3.47Å; Y69-Y270 VanDerWaalsContact CZ-CD1 3.47Å; Y69-Y270 AromaticContact CZ-CE1 2.92Å; Y69-Y270 AromaticContact CZ-CZ 3.2Å; Y69-Y270 VanDerWaalsContact OH-CE1 3.31Å; Y69-Y270 WeakPolarHBondContact OH-CE1 3.29Å; Y69-Y270 PolarHBondContact OH-OH 3.26Å
70R88.9Confident89.1Confident71 Ų7147.7 Ų47.727%0.26823%0.232SC..Hα-helixtrans-57.2-49.6176.9-74.3-178.486.8-170.6-8.3112.1L18 D66 M67 F72 F73 E74 F272L18-R70 HydrophobicContact CD1-CB 4.25Å; L18-R70 VanDerWaalsContact O-CZ 3.24Å; L18-R70 PolarHBondContact O-NH1 3.47Å; L18-R70 PolarHBondContact O-NH2 3.5Å; D66-R70 VanDerWaalsContact O-CG 3.3Å; D66-R70 WeakPolarHBondContact O-CG 3.31Å; D66-R70 PolarHBondContact O-N 3.23Å; D66-R70 VanDerWaalsContact O-N 3.09Å; M67-R70 PolarHBondContact O-N 2.96Å; R70-F72 VanDerWaalsContact C-N 3.31Å; R70-F72 PolarHBondContact O-N 3.4Å; R70-F73 PolarHBondContact O-N 2.93Å; R70-E74 WeakPolarHBondContact O-CB 2.91Å; R70-E74 PolarHBondContact O-N 3.32Å; R70-F272 VanDerWaalsContact CD-CD1 3.4Å; R70-F272 HydrophobicContact CG-CB 3.68Å; R70-F272 HydrophobicContact CG-CD1 3.57Å; R70-F272 HydrophobicContact CG-CD2 3.26Å; R70-F272 HydrophobicContact CG-CE1 4.01Å; R70-F272 HydrophobicContact CG-CE2 3.75Å; R70-F272 HydrophobicContact CG-CG 3.16Å; R70-F272 HydrophobicContact CG-CZ 4.1Å
71L92Very high88.5Confident4 Ų449.3 Ų49.32%0.02124%0.243CC..Hα-helixtrans-60.2-45.5179.5-178.8145.5000110.5L11 L14 E15 L18 Y58 M67 Y69 E74 V75L11-L71 HydrophobicContact CB-CD1 4.46Å; L11-L71 HydrophobicContact CD2-CD1 4.04Å; L11-L71 HydrophobicContact CD2-CD2 3.5Å; L11-L71 HydrophobicContact CD2-CG 4.18Å; L14-L71 HydrophobicContact CD2-CG 4.22Å; E15-L71 HydrophobicContact CB-CD1 4.18Å; L18-L71 HydrophobicContact CD1-CB 4.19Å; Y58-L71 HydrophobicContact CE1-CD1 3.88Å; M67-L71 VanDerWaalsContact O-CB 3.26Å; M67-L71 WeakPolarHBondContact O-CB 3.38Å; M67-L71 PolarHBondContact O-N 3.49Å; Y69-L71 PolarHBondContact O-N 2.92Å; L71-E74 PolarHBondContact O-N 2.89Å; L71-V75 WeakPolarHBondContact O-CG2 3.28Å; L71-V75 PolarHBondContact O-N 2.72Å
72F93.9Very high88.3Confident2 Ų244.2 Ų44.21%0.00922%0.216CC..Hα-helixtrans-61.1-48.5178.1-175.9-83.9000112K68 Y69 R70 E74 V75 F76 L90 L93 I108 V109 W112K68-F72 WeakPolarHBondContact O-CB 3.22Å; K68-F72 PolarHBondContact O-N 3.08Å; Y69-F72 PolarHBondContact O-N 2.93Å; R70-F72 VanDerWaalsContact C-N 3.31Å; R70-F72 PolarHBondContact O-N 3.4Å; F72-E74 VanDerWaalsContact C-N 3.29Å; F72-E74 PolarHBondContact O-N 3.48Å; F72-V75 PolarHBondContact O-N 2.76Å; F72-F76 HydrophobicContact CD1-CB 4.39Å; F72-F76 HydrophobicContact CD1-CD2 4.36Å; F72-F76 AromaticContact CD2-CD2 3.96Å; F72-F76 HydrophobicContact CD2-CD2 3.96Å; F72-F76 HydrophobicContact CD2-CE2 4.42Å; F72-F76 HydrophobicContact CE1-CB 3.98Å; F72-F76 HydrophobicContact CE1-CD2 4.09Å; F72-F76 HydrophobicContact CE1-CG 4.48Å; F72-F76 AromaticContact CE2-CD2 3.67Å; F72-F76 HydrophobicContact CE2-CD2 3.67Å; F72-F76 HydrophobicContact CE2-CE2 4.1Å; F72-F76 HydrophobicContact CG-CD2 4.3Å; F72-F76 HydrophobicContact CZ-CB 4.3Å; F72-F76 AromaticContact CZ-CD2 3.74Å; F72-F76 HydrophobicContact CZ-CD2 3.74Å; F72-F76 HydrophobicContact CZ-CG 4.35Å; F72-F76 PolarHBondContact O-N 2.58Å; F72-L90 HydrophobicContact CE1-CD1 4.4Å; F72-L90 HydrophobicContact CE2-CD1 4.42Å; F72-L90 HydrophobicContact CZ-CD1 3.62Å; F72-L93 HydrophobicContact CE2-CD2 4.01Å; F72-I108 HydrophobicContact CB-CG2 3.87Å; F72-I108 HydrophobicContact CD1-CB 4.43Å; F72-I108 HydrophobicContact CD1-CG2 3.26Å; F72-I108 HydrophobicContact CD2-CG2 3.96Å; F72-I108 HydrophobicContact CE1-CG2 3.69Å; F72-I108 HydrophobicContact CE2-CG2 4.32Å; F72-I108 HydrophobicContact CG-CB 4.4Å; F72-I108 HydrophobicContact CG-CG2 3.41Å; F72-I108 VanDerWaalsContact CG-CG2 3.41Å; F72-I108 HydrophobicContact CZ-CG2 4.2Å; F72-V109 HydrophobicContact CE2-CG2 4.13Å; F72-V109 HydrophobicContact CZ-CG2 3.69Å; F72-W112 HydrophobicContact CE1-CB 4.37Å
73F91.4Very high88.2Confident21 Ų2145.3 Ų45.39%0.09223%0.228CC..Hα-helixtrans-73.7-18.4-178.1-69.1-54.6000113.8Y69 R70 F76 P77 A78 I108 L111 W112 L273Y69-F73 AromaticContact CD1-CE2 3.76Å; Y69-F73 HydrophobicContact CD1-CE2 3.76Å; Y69-F73 HydrophobicContact CD1-CZ 4.35Å; Y69-F73 HydrophobicContact CG-CE2 4.44Å; Y69-F73 WeakPolarHBondContact O-CD2 3.47Å; Y69-F73 PolarHBondContact O-N 2.88Å; R70-F73 PolarHBondContact O-N 2.93Å; F73-F76 CarbonylContact O-C 3.5Å; F73-P77 WeakPolarHBondContact O-CA 3.14Å; F73-A78 HydrophobicContact CD1-CB 3.92Å; F73-A78 HydrophobicContact CE1-CB 3.96Å; F73-I108 HydrophobicContact CZ-CG2 4.15Å; F73-L111 HydrophobicContact CE2-CD2 4.2Å; F73-L111 HydrophobicContact CZ-CB 4.4Å; F73-L111 HydrophobicContact CZ-CD2 3.9Å; F73-L111 HydrophobicContact CZ-CG 4.12Å; F73-W112 HydrophobicContact CE1-CB 3.94Å; F73-L273 HydrophobicContact CD1-CD2 4.1Å; F73-L273 HydrophobicContact CD2-CD2 3.74Å; F73-L273 HydrophobicContact CD2-CG 4.03Å; F73-L273 HydrophobicContact CE1-CD2 4.03Å; F73-L273 HydrophobicContact CE2-CD1 3.73Å; F73-L273 HydrophobicContact CE2-CD2 3.65Å; F73-L273 HydrophobicContact CE2-CG 3.68Å; F73-L273 HydrophobicContact CG-CD2 3.99Å; F73-L273 HydrophobicContact CZ-CD1 3.86Å; F73-L273 HydrophobicContact CZ-CD2 3.83Å; F73-L273 HydrophobicContact CZ-CG 4.14Å
74E91.1Very high88.4Confident38 Ų3842.5 Ų42.518%0.17822%0.217CC..Hα-helixtrans-75.3-38.2170-161.160.5-119.700111.3L14 L18 L28 A32 R70 L71 F72 K80L14-E74 HydrophobicContact CD1-CG 4.1Å; L14-E74 HydrophobicContact CD2-CB 4.49Å; L18-E74 HydrophobicContact CD2-CB 4.48Å; L18-E74 HydrophobicContact CD2-CG 4.41Å; L28-E74 HydrophobicContact CB-CG 4.49Å; A32-E74 HydrophobicContact CB-CG 4.16Å; A32-E74 WeakPolarHBondContact CB-O 3.37Å; R70-E74 WeakPolarHBondContact O-CB 2.91Å; R70-E74 PolarHBondContact O-N 3.32Å; L71-E74 PolarHBondContact O-N 2.89Å; F72-E74 VanDerWaalsContact C-N 3.29Å; F72-E74 PolarHBondContact O-N 3.48Å; E74-K80 IonicContact OE1-NZ 2.71Å; E74-K80 PolarHBondContact OE1-NZ 3.19Å
75V93.7Very high88.5Confident6 Ų642.2 Ų42.24%0.03622%0.218CC..Hα-helixtrans-73.6-41.7174.6-179.20000111.7L14 V35 L36 L71 F72 P77L14-V75 HydrophobicContact CD2-CG2 3.69Å; V35-V75 HydrophobicContact CB-CG2 4.26Å; V35-V75 HydrophobicContact CG1-CG1 4.47Å; V35-V75 HydrophobicContact CG1-CG2 4.34Å; V35-V75 HydrophobicContact CG2-CG2 4.03Å; L36-V75 HydrophobicContact CD1-CG1 4.1Å; L36-V75 HydrophobicContact CD2-CG1 4.11Å; L36-V75 HydrophobicContact CG-CG1 4.12Å; L71-V75 WeakPolarHBondContact O-CG2 3.28Å; L71-V75 PolarHBondContact O-N 2.72Å; F72-V75 PolarHBondContact O-N 2.76Å; V75-P77 WeakPolarHBondContact O-CD 2.99Å
76F94Very high88.9Confident2 Ų237.6 Ų37.61%0.00920%0.197CC..SBendtrans-12480.7-178.7-53.2-65.7000110.3L36 F72 F73 A78 I82 C86 F89 L90 L93 W112L36-F76 HydrophobicContact CD1-CE1 4.11Å; L36-F76 HydrophobicContact CD2-CE1 4.46Å; L36-F76 HydrophobicContact CD2-CZ 4.18Å; F72-F76 HydrophobicContact CD1-CB 4.39Å; F72-F76 HydrophobicContact CD1-CD2 4.36Å; F72-F76 AromaticContact CD2-CD2 3.96Å; F72-F76 HydrophobicContact CD2-CD2 3.96Å; F72-F76 HydrophobicContact CD2-CE2 4.42Å; F72-F76 HydrophobicContact CE1-CB 3.98Å; F72-F76 HydrophobicContact CE1-CD2 4.09Å; F72-F76 HydrophobicContact CE1-CG 4.48Å; F72-F76 AromaticContact CE2-CD2 3.67Å; F72-F76 HydrophobicContact CE2-CD2 3.67Å; F72-F76 HydrophobicContact CE2-CE2 4.1Å; F72-F76 HydrophobicContact CG-CD2 4.3Å; F72-F76 HydrophobicContact CZ-CB 4.3Å; F72-F76 AromaticContact CZ-CD2 3.74Å; F72-F76 HydrophobicContact CZ-CD2 3.74Å; F72-F76 HydrophobicContact CZ-CG 4.35Å; F72-F76 PolarHBondContact O-N 2.58Å; F73-F76 CarbonylContact O-C 3.5Å; F76-A78 PolarHBondContact O-N 3.43Å; F76-I82 HydrophobicContact CD1-CD1 4.37Å; F76-C86 WeakPolarHBondContact CE1-O 3.46Å; F76-F89 HydrophobicContact CE1-CB 3.98Å; F76-F89 HydrophobicContact CZ-CB 4.31Å; F76-L90 HydrophobicContact CB-CD1 4.29Å; F76-L90 HydrophobicContact CB-CD2 4.37Å; F76-L90 HydrophobicContact CD1-CB 3.75Å; F76-L90 HydrophobicContact CD1-CD1 4.31Å; F76-L90 HydrophobicContact CD1-CG 4.44Å; F76-L90 HydrophobicContact CD2-CD1 4.22Å; F76-L90 HydrophobicContact CE1-CB 3.95Å; F76-L90 HydrophobicContact CG-CB 4.31Å; F76-L90 HydrophobicContact CG-CD1 4.02Å; F76-L93 HydrophobicContact CE2-CD2 3.93Å; F76-L93 HydrophobicContact CZ-CD2 4.36Å; F76-W112 PolarHBondContact O-NE1 2.86Å
77P89.3Confident89.4Confident12 Ų1234.5 Ų34.58%0.07818%0.181CC..  trans-60.6137.3-176.8-23.333.4000113.1F73 V75 K80 W112 R116F73-P77 WeakPolarHBondContact O-CA 3.14Å; V75-P77 WeakPolarHBondContact O-CD 2.99Å; P77-K80 HydrophobicContact CB-CD 3.93Å; P77-K80 HydrophobicContact CB-CG 3.3Å; P77-K80 HydrophobicContact CG-CD 4.2Å; P77-K80 HydrophobicContact CG-CG 3.98Å; P77-W112 PolarHBondContact O-NE1 3.38Å; P77-R116 PolarHBondContact O-NH2 2.93Å
78A85.9Confident89.7Confident1 Ų137.7 Ų37.71%0.00819%0.193CC..SBendtrans-94.5-29.4177.800000112.8F73 F76 W112 V115 R116 Q119 L273F73-A78 HydrophobicContact CD1-CB 3.92Å; F73-A78 HydrophobicContact CE1-CB 3.96Å; F76-A78 PolarHBondContact O-N 3.43Å; A78-W112 HydrophobicContact CB-CG 4.3Å; A78-V115 HydrophobicContact CB-CB 4.47Å; A78-V115 HydrophobicContact CB-CG1 4.27Å; A78-R116 WeakPolarHBondContact O-CG 3.24Å; A78-Q119 PolarHBondContact O-OE1 3.42Å; A78-L273 HydrophobicContact CB-CD2 4.17Å
79D78.2Confident90Very high55 Ų5537 Ų3729%0.29419%0.189SC..SBendtrans-111.2-1.1-167.668.9-37000114.7
80K78.7Confident90.4Very high94 Ų9436.9 Ų36.941%0.40919%0.189SC..SBendtrans-132168.8177.658.2-174.5177.9-1710110.6E74 P77 R116E74-K80 IonicContact OE1-NZ 2.71Å; E74-K80 PolarHBondContact OE1-NZ 3.19Å; P77-K80 HydrophobicContact CB-CD 3.93Å; P77-K80 HydrophobicContact CB-CG 3.3Å; P77-K80 HydrophobicContact CG-CD 4.2Å; P77-K80 HydrophobicContact CG-CG 3.98Å; K80-R116 PolarHBondContact O-NH2 3.44Å
81D80.5Confident90.9Very high112 Ų11233.8 Ų33.860%0.59918%0.178SC*.  trans-60.5140.4175.1-71.3-30.2000111.5
82I88Confident91.1Very high21 Ų2136.3 Ų36.311%0.10819%0.189CC..  trans-110.6142.5177.6-170.2168000108.4F76 C86 L87 W112 I139F76-I82 HydrophobicContact CD1-CD1 4.37Å; I82-C86 HydrophobicContact CD1-CB 3.78Å; I82-C86 HydrophobicContact CG1-CB 3.43Å; I82-C86 VanDerWaalsContact CG1-CB 3.43Å; I82-L87 HydrophobicContact CD1-CB 4.44Å; I82-L87 HydrophobicContact CG2-CB 4.17Å; I82-L87 HydrophobicContact CG2-CD1 4.46Å; I82-W112 HydrophobicContact CD1-CZ2 4.46Å; I82-I139 HydrophobicContact CG2-CD1 3.95Å; I82-I139 HydrophobicContact CG2-CG1 4.13Å; I82-I139 HydrophobicContact CG2-CG2 3.8Å
83S90.1Very high91.3Very high59 Ų5936.3 Ų36.341%0.41319%0.189SC..  trans-71.8154.3173.869.70000110.9D85 C86 L87S83-D85 VanDerWaalsContact C-N 3.26Å; S83-D85 PolarHBondContact O-N 2.74Å; S83-C86 PolarHBondContact O-N 3.05Å; S83-C86 VanDerWaalsContact O-N 3.1Å; S83-C86 PolarHBondContact OG-N 2.88Å; S83-C86 PolarHBondContact OG-SG 3.1Å; S83-L87 PolarHBondContact O-N 3.16Å
84T91.5Very high91.6Very high98 Ų9835.3 Ų35.360%0.60118%0.184SC*.Hα-helixtrans-55.8-40.1177.8-50.30000112.3L87 Y88T84-L87 PolarHBondContact O-N 3.46Å; T84-Y88 WeakPolarHBondContact O-CB 3.34Å; T84-Y88 PolarHBondContact O-N 2.78Å
85D91.3Very high91.9Very high84 Ų8434 Ų3445%0.44918%0.179SC..Hα-helixtrans-66.1-42.7176.9-69.5-47.1000111.9K42 S83 L87 Y88 F89K42-D85 IonicContact NZ-OD1 3.54Å; K42-D85 PolarHBondContact NZ-OD1 3.19Å; S83-D85 VanDerWaalsContact C-N 3.26Å; S83-D85 PolarHBondContact O-N 2.74Å; D85-L87 VanDerWaalsContact C-N 3.31Å; D85-L87 PolarHBondContact O-N 3.29Å; D85-Y88 WeakPolarHBondContact O-CB 3.42Å; D85-Y88 PolarHBondContact O-N 3.47Å; D85-F89 WeakPolarHBondContact O-CD2 3.15Å; D85-F89 PolarHBondContact O-N 3.44Å
86C93.7Very high91.9Very high9 Ų936 Ų366%0.06119%0.19CC..Hα-helixtrans-63.5-40.1176.7-68.90000111.3L36 F76 I82 S83 F89 L90L36-C86 HydrophobicContact CD1-CB 4.15Å; L36-C86 VanDerWaalsContact CD1-SG 3.6Å; F76-C86 WeakPolarHBondContact CE1-O 3.46Å; I82-C86 HydrophobicContact CD1-CB 3.78Å; I82-C86 HydrophobicContact CG1-CB 3.43Å; I82-C86 VanDerWaalsContact CG1-CB 3.43Å; S83-C86 PolarHBondContact O-N 3.05Å; S83-C86 VanDerWaalsContact O-N 3.1Å; S83-C86 PolarHBondContact OG-N 2.88Å; S83-C86 PolarHBondContact OG-SG 3.1Å; C86-F89 PolarHBondContact O-N 2.77Å; C86-L90 WeakPolarHBondContact O-CB 3.43Å; C86-L90 PolarHBondContact O-N 2.89Å
87L96.1Very high92Very high2 Ų236 Ų361%0.0119%0.189CC..Hα-helixtrans-64.2-43.9176.3-17657.8000111.6I82 S83 T84 D85 F89 L90 I91 W112 I139 E142 Y143I82-L87 HydrophobicContact CD1-CB 4.44Å; I82-L87 HydrophobicContact CG2-CB 4.17Å; I82-L87 HydrophobicContact CG2-CD1 4.46Å; S83-L87 PolarHBondContact O-N 3.16Å; T84-L87 PolarHBondContact O-N 3.46Å; D85-L87 VanDerWaalsContact C-N 3.31Å; D85-L87 PolarHBondContact O-N 3.29Å; L87-F89 VanDerWaalsContact C-N 3.35Å; L87-F89 PolarHBondContact O-N 3.17Å; L87-L90 WeakPolarHBondContact O-CB 3.28Å; L87-L90 PolarHBondContact O-N 3.48Å; L87-I91 HydrophobicContact CD1-CD1 4.42Å; L87-I91 HydrophobicContact CG-CD1 4Å; L87-I91 WeakPolarHBondContact O-CD1 3.42Å; L87-I91 VanDerWaalsContact O-CG1 3.3Å; L87-I91 WeakPolarHBondContact O-CG1 3.38Å; L87-I91 PolarHBondContact O-N 2.85Å; L87-W112 HydrophobicContact CD1-CH2 3.93Å; L87-W112 HydrophobicContact CD1-CZ2 4.28Å; L87-I139 HydrophobicContact CD1-CG2 4.14Å; L87-I139 HydrophobicContact CD2-CG2 4.17Å; L87-E142 HydrophobicContact CD2-CB 3.96Å; L87-E142 HydrophobicContact CD2-CG 3.86Å; L87-E142 WeakPolarHBondContact CD2-OE2 3.49Å; L87-Y143 HydrophobicContact CD1-CD2 4.23Å
88Y95.8Very high92.3Very high80 Ų8035.6 Ų35.631%0.31419%0.187SC..Hα-helixtrans-55.9-48.2174.1170.6-95.3000111.6E48 T84 D85 L90 I91 K92E48-Y88 WeakPolarHBondContact OE2-CE1 3.38Å; E48-Y88 PolarHBondContact OE2-OH 3.44Å; T84-Y88 WeakPolarHBondContact O-CB 3.34Å; T84-Y88 PolarHBondContact O-N 2.78Å; D85-Y88 WeakPolarHBondContact O-CB 3.42Å; D85-Y88 PolarHBondContact O-N 3.47Å; Y88-L90 VanDerWaalsContact C-N 3.35Å; Y88-L90 PolarHBondContact O-N 3.16Å; Y88-I91 PolarHBondContact O-N 3.29Å; Y88-K92 HydrophobicContact CE1-CG 4.16Å; Y88-K92 HydrophobicContact CE2-CD 4.49Å; Y88-K92 HydrophobicContact CE2-CG 4.13Å; Y88-K92 WeakPolarHBondContact O-CG 3.39Å; Y88-K92 PolarHBondContact O-N 3.2Å
89F97.3Very high92.6Very high4 Ų438.5 Ų38.52%0.01821%0.206CC..Hα-helixtrans-61.3-41.4175.8-91.3-80.2000112.7L36 P43 E48 I51 L52 F76 D85 C86 L87 I91 K92 L93L36-F89 HydrophobicContact CB-CD2 4.09Å; L36-F89 HydrophobicContact CB-CE2 4.12Å; L36-F89 HydrophobicContact CD1-CB 4.17Å; L36-F89 HydrophobicContact CD1-CD2 4.15Å; L36-F89 HydrophobicContact CD1-CG 4.26Å; L36-F89 HydrophobicContact CD2-CB 4.11Å; L36-F89 HydrophobicContact CD2-CD1 4.01Å; L36-F89 HydrophobicContact CD2-CD2 4.28Å; L36-F89 HydrophobicContact CD2-CG 3.87Å; L36-F89 HydrophobicContact CG-CD2 4.41Å; L36-F89 HydrophobicContact CG-CG 4.45Å; P43-F89 HydrophobicContact CG-CE2 4.24Å; P43-F89 HydrophobicContact CG-CZ 3.63Å; E48-F89 HydrophobicContact CB-CE1 4.47Å; E48-F89 HydrophobicContact CG-CE1 4.38Å; E48-F89 HydrophobicContact CG-CZ 3.95Å; I51-F89 HydrophobicContact CB-CE1 4.27Å; I51-F89 HydrophobicContact CG2-CD1 4.34Å; I51-F89 HydrophobicContact CG2-CE1 3.82Å; L52-F89 HydrophobicContact CD2-CD1 3.83Å; L52-F89 HydrophobicContact CD2-CE1 4.5Å; L52-F89 HydrophobicContact CG-CD1 4.21Å; L52-F89 HydrophobicContact CG-CE1 4.4Å; F76-F89 HydrophobicContact CE1-CB 3.98Å; F76-F89 HydrophobicContact CZ-CB 4.31Å; D85-F89 WeakPolarHBondContact O-CD2 3.15Å; D85-F89 PolarHBondContact O-N 3.44Å; C86-F89 PolarHBondContact O-N 2.77Å; L87-F89 VanDerWaalsContact C-N 3.35Å; L87-F89 PolarHBondContact O-N 3.17Å; F89-I91 VanDerWaalsContact C-N 3.35Å; F89-I91 PolarHBondContact O-N 3.17Å; F89-K92 PolarHBondContact O-N 3.29Å; F89-L93 VanDerWaalsContact O-CB 3.26Å; F89-L93 WeakPolarHBondContact O-CB 3.39Å; F89-L93 PolarHBondContact O-N 3.22Å
90L97.9Very high93.3Very high0 Ų041 Ų410%022%0.219CC..Hα-helixtrans-63-41.4177.1-179.861.7000112F72 F76 C86 L87 Y88 L93 S94 V109 W112 Y143F72-L90 HydrophobicContact CE1-CD1 4.4Å; F72-L90 HydrophobicContact CE2-CD1 4.42Å; F72-L90 HydrophobicContact CZ-CD1 3.62Å; F76-L90 HydrophobicContact CB-CD1 4.29Å; F76-L90 HydrophobicContact CB-CD2 4.37Å; F76-L90 HydrophobicContact CD1-CB 3.75Å; F76-L90 HydrophobicContact CD1-CD1 4.31Å; F76-L90 HydrophobicContact CD1-CG 4.44Å; F76-L90 HydrophobicContact CD2-CD1 4.22Å; F76-L90 HydrophobicContact CE1-CB 3.95Å; F76-L90 HydrophobicContact CG-CB 4.31Å; F76-L90 HydrophobicContact CG-CD1 4.02Å; C86-L90 WeakPolarHBondContact O-CB 3.43Å; C86-L90 PolarHBondContact O-N 2.89Å; L87-L90 WeakPolarHBondContact O-CB 3.28Å; L87-L90 PolarHBondContact O-N 3.48Å; Y88-L90 VanDerWaalsContact C-N 3.35Å; Y88-L90 PolarHBondContact O-N 3.16Å; L90-L93 PolarHBondContact O-N 3.39Å; L90-S94 WeakPolarHBondContact O-CB 3.4Å; L90-S94 PolarHBondContact O-N 3.14Å; L90-S94 PolarHBondContact O-OG 2.73Å; L90-V109 HydrophobicContact CD1-CG1 4.44Å; L90-V109 HydrophobicContact CD1-CG2 4.14Å; L90-W112 HydrophobicContact CD2-CD2 3.54Å; L90-W112 HydrophobicContact CD2-CE3 3.72Å; L90-W112 HydrophobicContact CD2-CG 4.25Å; L90-W112 HydrophobicContact CD2-CH2 3.61Å; L90-W112 HydrophobicContact CD2-CZ2 3.36Å; L90-W112 HydrophobicContact CD2-CZ3 3.77Å; L90-Y143 HydrophobicContact CD2-CD2 4.32Å; L90-Y143 HydrophobicContact CD2-CE2 4.25Å; L90-Y143 HydrophobicContact CG-CD2 4.38Å; L90-Y143 HydrophobicContact CG-CE2 3.99Å
91I98.1Very high93.9Very high6 Ų638.1 Ų38.13%0.03122%0.217CC..Hα-helixtrans-60.3-51.1174.9-68.3155.6000109.5L87 Y88 F89 L93 S94 S95 Y143 A146 L147L87-I91 HydrophobicContact CD1-CD1 4.42Å; L87-I91 HydrophobicContact CG-CD1 4Å; L87-I91 WeakPolarHBondContact O-CD1 3.42Å; L87-I91 VanDerWaalsContact O-CG1 3.3Å; L87-I91 WeakPolarHBondContact O-CG1 3.38Å; L87-I91 PolarHBondContact O-N 2.85Å; Y88-I91 PolarHBondContact O-N 3.29Å; F89-I91 VanDerWaalsContact C-N 3.35Å; F89-I91 PolarHBondContact O-N 3.17Å; I91-L93 VanDerWaalsContact C-N 3.35Å; I91-L93 PolarHBondContact O-N 2.69Å; I91-S94 WeakPolarHBondContact O-CB 3.18Å; I91-S94 PolarHBondContact O-N 3.07Å; I91-S94 VanDerWaalsContact O-N 3.15Å; I91-S95 PolarHBondContact O-N 3.13Å; I91-S95 PolarHBondContact O-OG 3.07Å; I91-S95 VanDerWaalsContact O-OG 3.12Å; I91-Y143 HydrophobicContact CG1-CD2 3.7Å; I91-Y143 HydrophobicContact CG1-CE2 4.25Å; I91-Y143 HydrophobicContact CG1-CG 4.45Å; I91-A146 HydrophobicContact CD1-CB 3.66Å; I91-A146 HydrophobicContact CG1-CB 4.3Å; I91-A146 HydrophobicContact CG2-CB 3.92Å; I91-L147 HydrophobicContact CG2-CB 4.47Å
92K97.5Very high94.6Very high57 Ų5734.4 Ų34.425%0.24820%0.196CC..Hα-helixtrans-64.8-36.7-179.7-63.9-58.1177.1-1670113.1L52 Y88 F89 S94 S95 L96 D150L52-K92 HydrophobicContact CD1-CB 3.64Å; L52-K92 HydrophobicContact CD2-CB 4.07Å; Y88-K92 HydrophobicContact CE1-CG 4.16Å; Y88-K92 HydrophobicContact CE2-CD 4.49Å; Y88-K92 HydrophobicContact CE2-CG 4.13Å; Y88-K92 WeakPolarHBondContact O-CG 3.39Å; Y88-K92 PolarHBondContact O-N 3.2Å; F89-K92 PolarHBondContact O-N 3.29Å; K92-S94 VanDerWaalsContact C-N 3.34Å; K92-S95 PolarHBondContact O-N 3.05Å; K92-L96 WeakPolarHBondContact O-CB 3.43Å; K92-L96 PolarHBondContact O-N 3.35Å; K92-D150 WeakPolarHBondContact CD-OD2 3.27Å; K92-D150 IonicContact NZ-OD1 3.25Å; K92-D150 PolarHBondContact NZ-OD1 3.01Å; K92-D150 IonicContact NZ-OD2 2.87Å; K92-D150 PolarHBondContact NZ-OD2 3.15Å
93L97.8Very high94.8Very high1 Ų135 Ų351%0.00520%0.202CC..Hα-helixtrans-63.5-41.9173.3-179.461.8000111.2L52 I55 A56 F72 F76 F89 L90 I91 L96 A97 V105L52-L93 HydrophobicContact CD2-CB 3.81Å; I55-L93 HydrophobicContact CG2-CD1 4.42Å; I55-L93 HydrophobicContact CG2-CD2 3.88Å; A56-L93 HydrophobicContact CB-CD1 3.98Å; F72-L93 HydrophobicContact CE2-CD2 4.01Å; F76-L93 HydrophobicContact CE2-CD2 3.93Å; F76-L93 HydrophobicContact CZ-CD2 4.36Å; F89-L93 VanDerWaalsContact O-CB 3.26Å; F89-L93 WeakPolarHBondContact O-CB 3.39Å; F89-L93 PolarHBondContact O-N 3.22Å; L90-L93 PolarHBondContact O-N 3.39Å; I91-L93 VanDerWaalsContact C-N 3.35Å; I91-L93 PolarHBondContact O-N 2.69Å; L93-L96 PolarHBondContact O-N 2.92Å; L93-A97 VanDerWaalsContact O-CB 3.24Å; L93-A97 WeakPolarHBondContact O-CB 3.25Å; L93-A97 PolarHBondContact O-N 3.42Å; L93-V105 HydrophobicContact CD1-CG1 4.2Å; L93-V105 HydrophobicContact CD2-CG1 4.25Å; L93-V105 HydrophobicContact CG-CG1 3.98Å
94S98Very high95Very high0 Ų033.9 Ų33.90%019%0.194CC..Hα-helixtrans-63.9-46.9175.6-540000110.9L90 I91 K92 L96 A97 I98 V109 Y143L90-S94 WeakPolarHBondContact O-CB 3.4Å; L90-S94 PolarHBondContact O-N 3.14Å; L90-S94 PolarHBondContact O-OG 2.73Å; I91-S94 WeakPolarHBondContact O-CB 3.18Å; I91-S94 PolarHBondContact O-N 3.07Å; I91-S94 VanDerWaalsContact O-N 3.15Å; K92-S94 VanDerWaalsContact C-N 3.34Å; S94-L96 PolarHBondContact O-N 3.44Å; S94-A97 PolarHBondContact O-N 3.36Å; S94-I98 VanDerWaalsContact O-CG1 3.29Å; S94-I98 WeakPolarHBondContact O-CG1 3.4Å; S94-I98 PolarHBondContact O-N 2.85Å; S94-V109 WeakPolarHBondContact OG-CG1 3.47Å; S94-Y143 VanDerWaalsContact CB-OH 3.3Å; S94-Y143 WeakPolarHBondContact CB-OH 3.19Å; S94-Y143 PolarHBondContact OG-OH 3.21Å
95S96Very high95.2Very high11 Ų1129.2 Ų29.28%0.07717%0.165CC..Hα-helixtrans-55.5-49.1175.5-64.70000111.6I91 K92 I98 C99 L147 D150 M151I91-S95 PolarHBondContact O-N 3.13Å; I91-S95 PolarHBondContact O-OG 3.07Å; I91-S95 VanDerWaalsContact O-OG 3.12Å; K92-S95 PolarHBondContact O-N 3.05Å; S95-I98 PolarHBondContact O-N 3.35Å; S95-C99 PolarHBondContact O-N 3.1Å; S95-C99 VanDerWaalsContact O-N 3.09Å; S95-C99 PolarHBondContact O-SG 2.85Å; S95-L147 WeakPolarHBondContact OG-CD1 3.37Å; S95-D150 WeakPolarHBondContact OG-CB 3.5Å; S95-D150 PolarHBondContact OG-OD2 3.31Å; S95-M151 VanDerWaalsContact CA-CE 3.46Å; S95-M151 WeakPolarHBondContact OG-CE 3.47Å
96L95Very high95.4Very high49 Ų4925.3 Ų25.326%0.25714%0.144SC..Hα-helixtrans-60.3-46.6176.4-178.266.7000111.7L52 K92 L93 S94 I98 C99 L100L52-L96 HydrophobicContact CB-CD2 4.12Å; K92-L96 WeakPolarHBondContact O-CB 3.43Å; K92-L96 PolarHBondContact O-N 3.35Å; L93-L96 PolarHBondContact O-N 2.92Å; S94-L96 PolarHBondContact O-N 3.44Å; L96-I98 VanDerWaalsContact C-N 3.34Å; L96-I98 PolarHBondContact O-N 2.76Å; L96-C99 PolarHBondContact O-N 3.02Å; L96-L100 HydrophobicContact CD1-CD1 3.54Å; L96-L100 HydrophobicContact CD1-CG 4.01Å; L96-L100 HydrophobicContact CG-CD1 3.94Å; L96-L100 WeakPolarHBondContact O-CB 3.45Å; L96-L100 WeakPolarHBondContact O-CG 3.4Å; L96-L100 PolarHBondContact O-N 3.2Å
97A96.1Very high95.4Very high0 Ų028.5 Ų28.50%016%0.158CC..Hα-helixtrans-64.5-36.4-178.400000112.7L93 S94 G101 L102 V105 L106L93-A97 VanDerWaalsContact O-CB 3.24Å; L93-A97 WeakPolarHBondContact O-CB 3.25Å; L93-A97 PolarHBondContact O-N 3.42Å; S94-A97 PolarHBondContact O-N 3.36Å; A97-G101 CarbonylContact O-C 3.54Å; A97-G101 WeakPolarHBondContact O-CA 3.39Å; A97-G101 PolarHBondContact O-N 3.46Å; A97-L102 HydrophobicContact CB-CB 3.95Å; A97-L102 HydrophobicContact CB-CD1 4.46Å; A97-L102 PolarHBondContact O-N 3.48Å; A97-V105 HydrophobicContact CB-CB 3.99Å; A97-V105 HydrophobicContact CB-CG1 3.82Å; A97-L106 HydrophobicContact CB-CD2 3.67Å; A97-L106 HydrophobicContact CB-CG 3.87Å
98I94.7Very high95.2Very high5 Ų528.4 Ų28.43%0.02616%0.158CC..Hα-helixtrans-65-50.3172.8-65.9167.8000110S94 S95 L96 L100 G101 L106 L147 M151 P181 I185 F192S94-I98 VanDerWaalsContact O-CG1 3.29Å; S94-I98 WeakPolarHBondContact O-CG1 3.4Å; S94-I98 PolarHBondContact O-N 2.85Å; S95-I98 PolarHBondContact O-N 3.35Å; L96-I98 VanDerWaalsContact C-N 3.34Å; L96-I98 PolarHBondContact O-N 2.76Å; I98-L100 VanDerWaalsContact C-N 3.32Å; I98-L100 PolarHBondContact O-N 3.48Å; I98-G101 PolarHBondContact O-N 2.82Å; I98-L106 HydrophobicContact CG1-CD1 4.38Å; I98-L106 HydrophobicContact CG1-CD2 3.73Å; I98-L147 HydrophobicContact CD1-CD1 3.92Å; I98-L147 HydrophobicContact CD1-CD2 4.16Å; I98-L147 HydrophobicContact CD1-CG 4.37Å; I98-M151 HydrophobicContact CB-SD 3.97Å; I98-M151 HydrophobicContact CD1-CG 4.25Å; I98-M151 HydrophobicContact CD1-SD 3.95Å; I98-M151 HydrophobicContact CG2-SD 3.72Å; I98-P181 HydrophobicContact CG2-CB 3.6Å; I98-I185 HydrophobicContact CD1-CD1 4.1Å; I98-I185 HydrophobicContact CG2-CD1 4.33Å; I98-I185 HydrophobicContact CG2-CG1 3.99Å; I98-F192 HydrophobicContact CD1-CE1 3.72Å; I98-F192 HydrophobicContact CD1-CZ 4.15Å; I98-F192 HydrophobicContact CG1-CE1 4.16Å
99C92.3Very high95.3Very high61 Ų6124.6 Ų24.641%0.41214%0.143SC..Hα-helixtrans-62.5-36.7-177.5-67.40000113.7S95 L96 I154S95-C99 PolarHBondContact O-N 3.1Å; S95-C99 VanDerWaalsContact O-N 3.09Å; S95-C99 PolarHBondContact O-SG 2.85Å; L96-C99 PolarHBondContact O-N 3.02Å; C99-I154 WeakPolarHBondContact SG-CD1 3.47Å
100L92.3Very high95.2Very high107 Ų10724.5 Ų24.556%0.5614%0.142SC*.Hα-helixtrans-95.2-3.7-177.6-64.2-175.8000113.7L96 I98 L102L96-L100 HydrophobicContact CD1-CD1 3.54Å; L96-L100 HydrophobicContact CD1-CG 4.01Å; L96-L100 HydrophobicContact CG-CD1 3.94Å; L96-L100 WeakPolarHBondContact O-CB 3.45Å; L96-L100 WeakPolarHBondContact O-CG 3.4Å; L96-L100 PolarHBondContact O-N 3.2Å; I98-L100 VanDerWaalsContact C-N 3.32Å; I98-L100 PolarHBondContact O-N 3.48Å; L100-L102 HydrophobicContact CB-CD1 4.32Å; L100-L102 HydrophobicContact CB-CD2 4.11Å; L100-L102 HydrophobicContact CB-CG 3.86Å; L100-L102 HydrophobicContact CD1-CD1 4.42Å
101G92.3Very high94.9Very high35 Ų3524.5 Ų24.536%0.36114%0.142SC..THydrogen-bonded Turntrans70.932.1-178.900000114.3A97 I98 S103A97-G101 CarbonylContact O-C 3.54Å; A97-G101 WeakPolarHBondContact O-CA 3.39Å; A97-G101 PolarHBondContact O-N 3.46Å; I98-G101 PolarHBondContact O-N 2.82Å; G101-S103 VanDerWaalsContact C-N 3.29Å; G101-S103 PolarHBondContact O-N 3.42Å
102L94.6Very high94.7Very high33 Ų3324.2 Ų24.217%0.17314%0.141CC..  trans-79.872.8-176.4-53.4-178.6000111.6A56 M60 A97 L100 V105 L106A56-L102 HydrophobicContact CB-CD1 3.87Å; M60-L102 HydrophobicContact SD-CB 4.27Å; A97-L102 HydrophobicContact CB-CB 3.95Å; A97-L102 HydrophobicContact CB-CD1 4.46Å; A97-L102 PolarHBondContact O-N 3.48Å; L100-L102 HydrophobicContact CB-CD1 4.32Å; L100-L102 HydrophobicContact CB-CD2 4.11Å; L100-L102 HydrophobicContact CB-CG 3.86Å; L100-L102 HydrophobicContact CD1-CD1 4.42Å; L102-V105 HydrophobicContact CB-CB 4.23Å; L102-V105 HydrophobicContact CB-CG2 4.14Å; L102-V105 PolarHBondContact O-N 3.21Å; L102-L106 PolarHBondContact O-N 3.33Å; L102-L106 VanDerWaalsContact O-N 3.13Å
103S93.3Very high94.5Very high33 Ų3321.5 Ų21.523%0.23113%0.129CC..Hα-helixtrans-51.3-46.3-174.7-166.70000114.3G101 V105 L106 E107 V188G101-S103 VanDerWaalsContact C-N 3.29Å; G101-S103 PolarHBondContact O-N 3.42Å; S103-V105 VanDerWaalsContact C-N 3.3Å; S103-V105 PolarHBondContact O-N 3.02Å; S103-L106 CarbonylContact O-C 3.59Å; S103-L106 PolarHBondContact O-N 3.47Å; S103-L106 VanDerWaalsContact O-N 3.1Å; S103-E107 WeakPolarHBondContact O-CG 3.22Å; S103-E107 PolarHBondContact O-N 3.28Å; S103-V188 VanDerWaalsContact CB-O 3.25Å; S103-V188 WeakPolarHBondContact CB-O 3.43Å; S103-V188 PolarHBondContact OG-O 3.39Å
104P92.6Very high94.3Very high37 Ų3721.4 Ų21.424%0.2413%0.129CC..Hα-helixtrans-60.1-33.9177.5-2635.4000114.5M60 I108M60-P104 HydrophobicContact CE-CG 3.75Å; M60-P104 HydrophobicContact SD-CB 3.67Å; M60-P104 WeakPolarHBondContact SD-CD 3.24Å; M60-P104 HydrophobicContact SD-CG 3.5Å; M60-P104 VanDerWaalsContact SD-CG 3.5Å; P104-I108 WeakPolarHBondContact O-CG1 3.19Å; P104-I108 PolarHBondContact O-N 2.83Å
105V95.8Very high93.9Very high0 Ų021.4 Ų21.40%013%0.129CC..Hα-helixtrans-69.2-46.8174.91780000109.5V59 M60 L93 A97 L102 S103 E107 I108 V109V59-V105 HydrophobicContact CB-CG2 4.31Å; V59-V105 HydrophobicContact CG1-CG2 3.97Å; M60-V105 HydrophobicContact CG-CG2 4.28Å; M60-V105 HydrophobicContact SD-CG2 4.23Å; L93-V105 HydrophobicContact CD1-CG1 4.2Å; L93-V105 HydrophobicContact CD2-CG1 4.25Å; L93-V105 HydrophobicContact CG-CG1 3.98Å; A97-V105 HydrophobicContact CB-CB 3.99Å; A97-V105 HydrophobicContact CB-CG1 3.82Å; L102-V105 HydrophobicContact CB-CB 4.23Å; L102-V105 HydrophobicContact CB-CG2 4.14Å; L102-V105 PolarHBondContact O-N 3.21Å; S103-V105 VanDerWaalsContact C-N 3.3Å; S103-V105 PolarHBondContact O-N 3.02Å; V105-E107 VanDerWaalsContact C-N 3.29Å; V105-E107 PolarHBondContact O-N 3.37Å; V105-I108 PolarHBondContact O-N 3.14Å; V105-V109 HydrophobicContact CG1-CG2 4.22Å; V105-V109 VanDerWaalsContact O-CG2 3.24Å; V105-V109 WeakPolarHBondContact O-CG2 3.24Å; V105-V109 PolarHBondContact O-N 3.27Å
106L96.3Very high93.5Very high1 Ų120.9 Ų20.91%0.00513%0.125CC..Hα-helixtrans-62.2-34179-65.9175.4000112.8A97 I98 L102 S103 V109 S110 V188 F192A97-L106 HydrophobicContact CB-CD2 3.67Å; A97-L106 HydrophobicContact CB-CG 3.87Å; I98-L106 HydrophobicContact CG1-CD1 4.38Å; I98-L106 HydrophobicContact CG1-CD2 3.73Å; L102-L106 PolarHBondContact O-N 3.33Å; L102-L106 VanDerWaalsContact O-N 3.13Å; S103-L106 CarbonylContact O-C 3.59Å; S103-L106 PolarHBondContact O-N 3.47Å; S103-L106 VanDerWaalsContact O-N 3.1Å; L106-V109 PolarHBondContact O-N 3.05Å; L106-S110 WeakPolarHBondContact O-CB 3.26Å; L106-S110 PolarHBondContact O-N 3.38Å; L106-V188 HydrophobicContact CD1-CB 4.48Å; L106-V188 HydrophobicContact CD1-CG1 3.56Å; L106-F192 HydrophobicContact CB-CB 4.07Å; L106-F192 HydrophobicContact CB-CD2 4.38Å; L106-F192 HydrophobicContact CB-CG 4.24Å; L106-F192 HydrophobicContact CD2-CD1 4.31Å; L106-F192 HydrophobicContact CD2-CD2 4.15Å; L106-F192 HydrophobicContact CD2-CE1 4.45Å; L106-F192 HydrophobicContact CD2-CE2 4.3Å; L106-F192 HydrophobicContact CD2-CG 4.16Å; L106-F192 HydrophobicContact CD2-CZ 4.44Å
107E92.8Very high93.3Very high77 Ų7718.6 Ų18.636%0.3611%0.113SC..Hα-helixtrans-62.5-44175-75178.5166.500111.9S103 V105 S110 L111S103-E107 WeakPolarHBondContact O-CG 3.22Å; S103-E107 PolarHBondContact O-N 3.28Å; V105-E107 VanDerWaalsContact C-N 3.29Å; V105-E107 PolarHBondContact O-N 3.37Å; E107-S110 PolarHBondContact O-N 3.44Å; E107-S110 PolarHBondContact O-OG 3.19Å; E107-L111 PolarHBondContact O-N 3.05Å
108I93.3Very high92.9Very high0 Ų018.6 Ų18.60%011%0.113CC..Hα-helixtrans-68.3-44.4177.8-53.2173.6000110.8V59 K68 Y69 F72 F73 P104 V105 S110 L111 W112V59-I108 HydrophobicContact CG1-CD1 3.54Å; K68-I108 HydrophobicContact CD-CD1 3.99Å; K68-I108 HydrophobicContact CG-CD1 3.73Å; Y69-I108 HydrophobicContact CD1-CB 4.38Å; Y69-I108 HydrophobicContact CD1-CG1 3.99Å; Y69-I108 HydrophobicContact CD1-CG2 3.81Å; Y69-I108 HydrophobicContact CE1-CB 4.01Å; Y69-I108 HydrophobicContact CE1-CD1 4.4Å; Y69-I108 HydrophobicContact CE1-CG1 3.47Å; Y69-I108 VanDerWaalsContact CE1-CG1 3.47Å; Y69-I108 HydrophobicContact CE1-CG2 3.94Å; Y69-I108 HydrophobicContact CE2-CG1 4.34Å; F72-I108 HydrophobicContact CB-CG2 3.87Å; F72-I108 HydrophobicContact CD1-CB 4.43Å; F72-I108 HydrophobicContact CD1-CG2 3.26Å; F72-I108 HydrophobicContact CD2-CG2 3.96Å; F72-I108 HydrophobicContact CE1-CG2 3.69Å; F72-I108 HydrophobicContact CE2-CG2 4.32Å; F72-I108 HydrophobicContact CG-CB 4.4Å; F72-I108 HydrophobicContact CG-CG2 3.41Å; F72-I108 VanDerWaalsContact CG-CG2 3.41Å; F72-I108 HydrophobicContact CZ-CG2 4.2Å; F73-I108 HydrophobicContact CZ-CG2 4.15Å; P104-I108 WeakPolarHBondContact O-CG1 3.19Å; P104-I108 PolarHBondContact O-N 2.83Å; V105-I108 PolarHBondContact O-N 3.14Å; I108-S110 VanDerWaalsContact C-N 3.27Å; I108-S110 PolarHBondContact O-N 3.4Å; I108-L111 WeakPolarHBondContact O-CB 3.26Å; I108-L111 PolarHBondContact O-N 3.45Å; I108-W112 PolarHBondContact O-N 3.25Å
109V96.3Very high92.4Very high0 Ų018.7 Ų18.70%011%0.113CC..Hα-helixtrans-62.5-37.1176.5179.10000111F72 L90 S94 V105 L106 L111 W112 L113 Y143 F192F72-V109 HydrophobicContact CE2-CG2 4.13Å; F72-V109 HydrophobicContact CZ-CG2 3.69Å; L90-V109 HydrophobicContact CD1-CG1 4.44Å; L90-V109 HydrophobicContact CD1-CG2 4.14Å; S94-V109 WeakPolarHBondContact OG-CG1 3.47Å; V105-V109 HydrophobicContact CG1-CG2 4.22Å; V105-V109 VanDerWaalsContact O-CG2 3.24Å; V105-V109 WeakPolarHBondContact O-CG2 3.24Å; V105-V109 PolarHBondContact O-N 3.27Å; L106-V109 PolarHBondContact O-N 3.05Å; V109-L111 VanDerWaalsContact C-N 3.28Å; V109-L111 PolarHBondContact O-N 3.18Å; V109-W112 WeakPolarHBondContact O-CB 3.47Å; V109-W112 PolarHBondContact O-N 2.64Å; V109-L113 PolarHBondContact O-N 2.87Å; V109-Y143 WeakPolarHBondContact CG1-OH 3.29Å; V109-F192 HydrophobicContact CB-CD2 4.45Å; V109-F192 HydrophobicContact CB-CE2 4.3Å; V109-F192 HydrophobicContact CG1-CD2 4.29Å; V109-F192 HydrophobicContact CG1-CE2 3.69Å
110S95.5Very high92Very high1 Ų116.2 Ų16.21%0.00710%0.096CC..Hα-helixtrans-60.2-42.3178.377.60000111.1L106 E107 I108 L113 K114 A191 F192 A195L106-S110 WeakPolarHBondContact O-CB 3.26Å; L106-S110 PolarHBondContact O-N 3.38Å; E107-S110 PolarHBondContact O-N 3.44Å; E107-S110 PolarHBondContact O-OG 3.19Å; I108-S110 VanDerWaalsContact C-N 3.27Å; I108-S110 PolarHBondContact O-N 3.4Å; S110-L113 PolarHBondContact O-N 3.4Å; S110-K114 WeakPolarHBondContact O-CB 3.47Å; S110-K114 PolarHBondContact O-N 2.94Å; S110-A191 WeakPolarHBondContact OG-CB 3.43Å; S110-F192 VanDerWaalsContact CB-CA 3.43Å; S110-A195 VanDerWaalsContact O-CB 3.26Å; S110-A195 WeakPolarHBondContact O-CB 3.49Å
111L91.9Very high91.5Very high0 Ų011.2 Ų11.20%07%0.07CC..Hα-helixtrans-67.7-41.3176.6-177.162.7000111.8Y69 F73 E107 I108 V109 L113 K114 V115 W263 A267 Y270 L273Y69-L111 HydrophobicContact CD1-CD2 4.4Å; Y69-L111 HydrophobicContact CE1-CD2 4.28Å; F73-L111 HydrophobicContact CE2-CD2 4.2Å; F73-L111 HydrophobicContact CZ-CB 4.4Å; F73-L111 HydrophobicContact CZ-CD2 3.9Å; F73-L111 HydrophobicContact CZ-CG 4.12Å; E107-L111 PolarHBondContact O-N 3.05Å; I108-L111 WeakPolarHBondContact O-CB 3.26Å; I108-L111 PolarHBondContact O-N 3.45Å; V109-L111 VanDerWaalsContact C-N 3.28Å; V109-L111 PolarHBondContact O-N 3.18Å; L111-L113 PolarHBondContact O-N 2.96Å; L111-K114 PolarHBondContact O-N 3.33Å; L111-V115 HydrophobicContact CD1-CG2 4.05Å; L111-V115 HydrophobicContact CG-CG2 4.38Å; L111-V115 WeakPolarHBondContact O-CB 3.2Å; L111-V115 VanDerWaalsContact O-CG2 3.26Å; L111-V115 WeakPolarHBondContact O-CG2 3.35Å; L111-V115 PolarHBondContact O-N 3.47Å; L111-W263 HydrophobicContact CD1-CE3 4.36Å; L111-W263 HydrophobicContact CD1-CZ3 4.34Å; L111-A267 HydrophobicContact CD1-CB 4.26Å; L111-Y270 HydrophobicContact CD2-CD2 3.08Å; L111-Y270 HydrophobicContact CD2-CE2 3.56Å; L111-Y270 HydrophobicContact CD2-CG 3.84Å; L111-Y270 HydrophobicContact CG-CD2 4.45Å; L111-L273 HydrophobicContact CD1-CD1 4.06Å; L111-L273 HydrophobicContact CD2-CD1 3.31Å; L111-L273 HydrophobicContact CG-CD1 3.59Å
112W93.2Very high90.8Very high0 Ų09.9 Ų9.90%06%0.056CC..Hα-helixtrans-53.4-52.9172.8178.493.3000111.5F72 F73 F76 P77 A78 I82 L87 L90 I108 V109 K114 R116 I139 Y143F72-W112 HydrophobicContact CE1-CB 4.37Å; F73-W112 HydrophobicContact CE1-CB 3.94Å; F76-W112 PolarHBondContact O-NE1 2.86Å; P77-W112 PolarHBondContact O-NE1 3.38Å; A78-W112 HydrophobicContact CB-CG 4.3Å; I82-W112 HydrophobicContact CD1-CZ2 4.46Å; L87-W112 HydrophobicContact CD1-CH2 3.93Å; L87-W112 HydrophobicContact CD1-CZ2 4.28Å; L90-W112 HydrophobicContact CD2-CD2 3.54Å; L90-W112 HydrophobicContact CD2-CE3 3.72Å; L90-W112 HydrophobicContact CD2-CG 4.25Å; L90-W112 HydrophobicContact CD2-CH2 3.61Å; L90-W112 HydrophobicContact CD2-CZ2 3.36Å; L90-W112 HydrophobicContact CD2-CZ3 3.77Å; I108-W112 PolarHBondContact O-N 3.25Å; V109-W112 WeakPolarHBondContact O-CB 3.47Å; V109-W112 PolarHBondContact O-N 2.64Å; W112-K114 PolarHBondContact O-N 3.49Å; W112-R116 VanDerWaalsContact CZ2-CD 3.45Å; W112-R116 PolarHBondContact O-N 3.45Å; W112-I139 HydrophobicContact CH2-CG2 4.01Å; W112-I139 HydrophobicContact CZ2-CG2 4.15Å; W112-Y143 HydrophobicContact CH2-CD2 4.05Å; W112-Y143 HydrophobicContact CH2-CG 4.11Å; W112-Y143 HydrophobicContact CZ3-CD1 4.07Å; W112-Y143 AromaticContact CZ3-CD2 3.71Å; W112-Y143 HydrophobicContact CZ3-CD2 3.71Å; W112-Y143 HydrophobicContact CZ3-CE1 4.43Å; W112-Y143 HydrophobicContact CZ3-CE2 4.11Å; W112-Y143 AromaticContact CZ3-CG 3.69Å; W112-Y143 HydrophobicContact CZ3-CG 3.69Å
113L95Very high89.8Confident0 Ų010.4 Ų10.40%06%0.062CC..Hα-helixtrans-65.6-42.8-178.7177.660.6000110.8V109 S110 L111 R116 V117 I140 Y143 V144 A195 F196V109-L113 PolarHBondContact O-N 2.87Å; S110-L113 PolarHBondContact O-N 3.4Å; L111-L113 PolarHBondContact O-N 2.96Å; L113-R116 PolarHBondContact O-N 3.01Å; L113-V117 HydrophobicContact CD1-CG2 4.21Å; L113-V117 WeakPolarHBondContact O-CG2 3.26Å; L113-V117 PolarHBondContact O-N 2.91Å; L113-I140 HydrophobicContact CD1-CG2 4.28Å; L113-Y143 HydrophobicContact CD1-CD1 3.93Å; L113-Y143 HydrophobicContact CD1-CE1 4.25Å; L113-Y143 HydrophobicContact CD2-CD1 4.34Å; L113-Y143 HydrophobicContact CD2-CE1 3.92Å; L113-V144 HydrophobicContact CD1-CG2 4.43Å; L113-A195 HydrophobicContact CB-CB 4.42Å; L113-A195 HydrophobicContact CD2-CB 4.27Å; L113-A195 WeakPolarHBondContact CD2-O 3.1Å; L113-A195 HydrophobicContact CG-CB 4.49Å; L113-F196 HydrophobicContact CD2-CB 4.47Å
114K92.6Very high88.4Confident0 Ų09.4 Ų9.40%06%0.055CC..Hα-helixtrans-62.7-46.7-178-162.575.8179.3-169.80112.3S110 L111 W112 R116 V117 C118 D194 A195 S198 W263 L284S110-K114 WeakPolarHBondContact O-CB 3.47Å; S110-K114 PolarHBondContact O-N 2.94Å; L111-K114 PolarHBondContact O-N 3.33Å; W112-K114 PolarHBondContact O-N 3.49Å; K114-R116 VanDerWaalsContact C-N 3.31Å; K114-R116 PolarHBondContact O-N 3.26Å; K114-V117 PolarHBondContact O-N 3.32Å; K114-C118 WeakPolarHBondContact O-CB 3.41Å; K114-C118 PolarHBondContact O-N 3.01Å; K114-C118 PolarHBondContact O-SG 3.33Å; K114-D194 IonicContact NZ-OD2 3.23Å; K114-D194 PolarHBondContact NZ-OD2 3.18Å; K114-A195 HydrophobicContact CB-CB 4.24Å; K114-A195 HydrophobicContact CD-CB 4.13Å; K114-S198 PolarHBondContact NZ-OG 3.34Å; K114-W263 HydrophobicContact CB-CD2 4.37Å; K114-W263 HydrophobicContact CB-CE3 4.05Å; K114-W263 HydrophobicContact CB-CH2 3.92Å; K114-W263 HydrophobicContact CB-CZ2 4.24Å; K114-W263 HydrophobicContact CB-CZ3 3.81Å; K114-W263 HydrophobicContact CD-CD2 4.01Å; K114-W263 HydrophobicContact CD-CE3 4.49Å; K114-W263 HydrophobicContact CD-CH2 4.16Å; K114-W263 HydrophobicContact CD-CZ2 3.62Å; K114-W263 VanDerWaalsContact CE-NE1 3.25Å; K114-W263 HydrophobicContact CG-CD2 3.62Å; K114-W263 HydrophobicContact CG-CE3 3.77Å; K114-W263 HydrophobicContact CG-CG 4.17Å; K114-W263 HydrophobicContact CG-CH2 4.07Å; K114-W263 HydrophobicContact CG-CZ2 3.93Å; K114-W263 HydrophobicContact CG-CZ3 3.99Å; K114-L284 HydrophobicContact CB-CD2 4.46Å; K114-L284 HydrophobicContact CG-CD2 3.85Å
115V89.1Confident86.9Confident0 Ų011 Ų110%07%0.072CC..Hα-helixtrans-57.5-46.9177.4167.70000110A78 L111 C118 Q119 L273 V280 L284A78-V115 HydrophobicContact CB-CB 4.47Å; A78-V115 HydrophobicContact CB-CG1 4.27Å; L111-V115 HydrophobicContact CD1-CG2 4.05Å; L111-V115 HydrophobicContact CG-CG2 4.38Å; L111-V115 WeakPolarHBondContact O-CB 3.2Å; L111-V115 VanDerWaalsContact O-CG2 3.26Å; L111-V115 WeakPolarHBondContact O-CG2 3.35Å; L111-V115 PolarHBondContact O-N 3.47Å; V115-C118 PolarHBondContact O-N 2.8Å; V115-Q119 HydrophobicContact CG1-CG 4.2Å; V115-Q119 WeakPolarHBondContact O-CB 3.38Å; V115-Q119 VanDerWaalsContact O-CG 3.27Å; V115-Q119 WeakPolarHBondContact O-CG 3.34Å; V115-Q119 PolarHBondContact O-N 3.5Å; V115-L273 HydrophobicContact CG2-CD1 4.3Å; V115-V280 HydrophobicContact CG2-CG1 4.21Å; V115-L284 HydrophobicContact CG2-CD2 4.37Å
116R89.1Confident85Confident0 Ų014.9 Ų14.90%09%0.092CC..Hα-helixtrans-61-47.4178.6-74.6-172.8173.5-82.30.2113.2P77 A78 K80 W112 L113 K114 C118 Q119 L120 I135 I140P77-R116 PolarHBondContact O-NH2 2.93Å; A78-R116 WeakPolarHBondContact O-CG 3.24Å; K80-R116 PolarHBondContact O-NH2 3.44Å; W112-R116 VanDerWaalsContact CZ2-CD 3.45Å; W112-R116 PolarHBondContact O-N 3.45Å; L113-R116 PolarHBondContact O-N 3.01Å; K114-R116 VanDerWaalsContact C-N 3.31Å; K114-R116 PolarHBondContact O-N 3.26Å; R116-C118 VanDerWaalsContact C-N 3.32Å; R116-C118 PolarHBondContact O-N 3.36Å; R116-Q119 PolarHBondContact O-N 3.39Å; R116-L120 PolarHBondContact O-N 3.39Å; R116-I135 HydrophobicContact CB-CG2 4.35Å; R116-I135 HydrophobicContact CG-CG2 4.38Å; R116-I140 HydrophobicContact CB-CD1 4.07Å; R116-I140 HydrophobicContact CB-CG1 3.99Å
117V90.2Very high82.6Confident1 Ų122.3 Ų22.31%0.00613%0.127CC..Hα-helixtrans-59-45.6176.9171.20000110.7L113 K114 L120 C121 I140 L202L113-V117 HydrophobicContact CD1-CG2 4.21Å; L113-V117 WeakPolarHBondContact O-CG2 3.26Å; L113-V117 PolarHBondContact O-N 2.91Å; K114-V117 PolarHBondContact O-N 3.32Å; V117-L120 PolarHBondContact O-N 3.1Å; V117-C121 PolarHBondContact O-N 3.31Å; V117-C121 PolarHBondContact O-SG 3.31Å; V117-C121 VanDerWaalsContact O-SG 3.35Å; V117-I140 HydrophobicContact CG2-CD1 4.27Å; V117-I140 HydrophobicContact CG2-CG2 4.11Å; V117-L202 HydrophobicContact CG1-CD2 4.28Å; V117-L202 HydrophobicContact CG2-CD2 4.33Å
118C87.5Confident80.2Confident0 Ų021.9 Ų21.90%013%0.132CC..Hα-helixtrans-70.5-35.9-178.9-60.60000112.3K114 V115 R116 L120 C121 A122 I283 L284 S286 Q287K114-C118 WeakPolarHBondContact O-CB 3.41Å; K114-C118 PolarHBondContact O-N 3.01Å; K114-C118 PolarHBondContact O-SG 3.33Å; V115-C118 PolarHBondContact O-N 2.8Å; R116-C118 VanDerWaalsContact C-N 3.32Å; R116-C118 PolarHBondContact O-N 3.36Å; C118-L120 VanDerWaalsContact C-N 3.31Å; C118-L120 PolarHBondContact O-N 3.2Å; C118-C121 PolarHBondContact O-N 2.96Å; C118-A122 VanDerWaalsContact O-CB 3.28Å; C118-A122 WeakPolarHBondContact O-CB 3.49Å; C118-A122 PolarHBondContact O-N 3.29Å; C118-I283 HydrophobicContact CB-CG2 3.81Å; C118-I283 WeakPolarHBondContact CB-O 3.48Å; C118-L284 HydrophobicContact CB-CD2 4.39Å; C118-S286 PolarHBondContact O-OG 3.45Å; C118-Q287 VanDerWaalsContact SG-CB 3.58Å
119Q84.3Confident77.9Confident6 Ų626.2 Ų26.23%0.02817%0.168CC..Hα-helixtrans-61.9-40.9173.1-75.4174.7-34.500111.5A78 V115 R116 A122 S123 I135 I283A78-Q119 PolarHBondContact O-OE1 3.42Å; V115-Q119 HydrophobicContact CG1-CG 4.2Å; V115-Q119 WeakPolarHBondContact O-CB 3.38Å; V115-Q119 VanDerWaalsContact O-CG 3.27Å; V115-Q119 WeakPolarHBondContact O-CG 3.34Å; V115-Q119 PolarHBondContact O-N 3.5Å; R116-Q119 PolarHBondContact O-N 3.39Å; Q119-A122 PolarHBondContact O-N 3.33Å; Q119-S123 WeakPolarHBondContact O-CB 3.48Å; Q119-S123 PolarHBondContact O-N 3.45Å; Q119-S123 PolarHBondContact O-OG 3.3Å; Q119-I135 HydrophobicContact CB-CB 4.43Å; Q119-I135 HydrophobicContact CB-CG1 3.72Å; Q119-I135 HydrophobicContact CG-CG1 4.4Å; Q119-I135 VanDerWaalsContact OE1-CD1 3.3Å; Q119-I283 HydrophobicContact CB-CG2 4.43Å; Q119-I283 HydrophobicContact CG-CD1 3.96Å; Q119-I283 HydrophobicContact CG-CG1 4.35Å; Q119-I283 HydrophobicContact CG-CG2 3.54Å
120L83.8Confident75.5Confident9 Ų932.2 Ų32.25%0.04720%0.2CC..Hα-helixtrans-63.1-40.7173.7-172.375000111.8R116 V117 C118 S123 Y137 I140 L202R116-L120 PolarHBondContact O-N 3.39Å; V117-L120 PolarHBondContact O-N 3.1Å; C118-L120 VanDerWaalsContact C-N 3.31Å; C118-L120 PolarHBondContact O-N 3.2Å; L120-S123 PolarHBondContact O-OG 2.76Å; L120-Y137 HydrophobicContact CD2-CD2 3.99Å; L120-I140 HydrophobicContact CB-CD1 4.27Å; L120-I140 HydrophobicContact CD2-CD1 4.18Å; L120-L202 HydrophobicContact CD2-CD1 4.22Å; L120-L202 HydrophobicContact CD2-CD2 3.63Å; L120-L202 HydrophobicContact CD2-CG 4.41Å
121C81.9Confident73.2Confident2 Ų238.9 Ų38.91%0.01423%0.226CC..Hα-helixtrans-71.2-34.2176.4-64.50000113.3V117 C118 S124 A125 V214V117-C121 PolarHBondContact O-N 3.31Å; V117-C121 PolarHBondContact O-SG 3.31Å; V117-C121 VanDerWaalsContact O-SG 3.35Å; C118-C121 PolarHBondContact O-N 2.96Å; C121-S124 PolarHBondContact O-OG 3.43Å; C121-S124 VanDerWaalsContact O-OG 3.13Å; C121-A125 PolarHBondContact O-N 2.81Å; C121-V214 HydrophobicContact CB-CG1 4.35Å
122A78.2Confident71.3Confident8 Ų840.8 Ų40.87%0.06624%0.236CC..Hα-helixtrans-70.3-38.7177.800000111.5C118 Q119 S124 A125 L126 L132 S286C118-A122 VanDerWaalsContact O-CB 3.28Å; C118-A122 WeakPolarHBondContact O-CB 3.49Å; C118-A122 PolarHBondContact O-N 3.29Å; Q119-A122 PolarHBondContact O-N 3.33Å; A122-S124 PolarHBondContact O-N 2.72Å; A122-S124 VanDerWaalsContact O-N 3.16Å; A122-A125 PolarHBondContact O-N 2.74Å; A122-L126 PolarHBondContact O-N 3.31Å; A122-L132 HydrophobicContact CB-CD2 4.38Å; A122-S286 PolarHBondContact N-OG 2.91Å
123S72.5Confident69.3Low43 Ų4343.2 Ų43.230%0.30125%0.252SS..Hα-helixtrans-63.6-21.4-178.166.90000113.4Q119 L120Q119-S123 WeakPolarHBondContact O-CB 3.48Å; Q119-S123 PolarHBondContact O-N 3.45Å; Q119-S123 PolarHBondContact O-OG 3.3Å; L120-S123 PolarHBondContact O-OG 2.76Å
124S64.9Low67.6Low13 Ų1350.3 Ų50.39%0.09128%0.28CS..Hα-helixtrans-98.4-31.5-179.5750000115.3C121 A122 L126 V214C121-S124 PolarHBondContact O-OG 3.43Å; C121-S124 VanDerWaalsContact O-OG 3.13Å; A122-S124 PolarHBondContact O-N 2.72Å; A122-S124 VanDerWaalsContact O-N 3.16Å; S124-L126 VanDerWaalsContact C-N 3.32Å; S124-V214 WeakPolarHBondContact CB-O 3.49Å; S124-V214 WeakPolarHBondContact OG-CG1 3.28Å; S124-V214 PolarHBondContact OG-O 2.78Å
125A60.5Low66.5Low71 Ų7150.6 Ų50.659%0.58728%0.281SS*.Hα-helixtrans-67.6-36.3172.900000111.3C121 A122 Q127C121-A125 PolarHBondContact O-N 2.81Å; A122-A125 PolarHBondContact O-N 2.74Å; A125-Q127 PolarHBondContact O-N 3.28Å
126L55.3Low65.9Low80 Ų8051.3 Ų51.342%0.41929%0.286SS..  trans-90.683.4172.5-73131.1000109.2A122 S124 S128 L132A122-L126 PolarHBondContact O-N 3.31Å; S124-L126 VanDerWaalsContact C-N 3.32Å; L126-S128 PolarHBondContact O-N 2.58Å; L126-L132 HydrophobicContact CB-CD1 4.27Å
127Q46.2Very low65.7Low158 Ų15851.5 Ų51.574%0.73829%0.287SS*.  trans-63.325.2166.5-68.8-174.5-4.200113.4A125 A129 N216A125-Q127 PolarHBondContact O-N 3.28Å; Q127-A129 PolarHBondContact O-N 2.74Å; Q127-N216 PolarHBondContact NE2-ND2 3.48Å
128S42.9Very low65.7Low67 Ų6755.7 Ų55.747%0.46931%0.307SS..  trans-74.498.3169.9640000108.5L126 N130L126-S128 PolarHBondContact O-N 2.58Å; S128-N130 PolarHBondContact O-N 3.35Å
129A45.4Very low65.9Low92 Ų9256.3 Ų56.376%0.7631%0.31SS*.THydrogen-bonded Turntrans-58.524-170.200000118Q127Q127-A129 PolarHBondContact O-N 2.74Å
130N46.1Very low66.3Low125 Ų12556 Ų5667%0.66831%0.308SS*.THydrogen-bonded Turntrans-145.8-7.2-174.3-84.1-42.4000119.9S128S128-N130 PolarHBondContact O-N 3.35Å
131Y47.7Very low66.7Low141 Ų14157.4 Ų57.455%0.55331%0.314SS*.  trans-145.44.4-160.6-68-65.9000121.2R277Y131-R277 VanDerWaalsContact CD1-NH1 3.31Å; Y131-R277 PolarHBondContact O-NH1 2.97Å
132L51.3Low67.4Low41 Ų4161.1 Ų61.122%0.21533%0.332CS..SBendtrans-87.3137.2166.6-80.4112.1000110.4A122 L126 Y134 F278A122-L132 HydrophobicContact CB-CD2 4.38Å; L126-L132 HydrophobicContact CB-CD1 4.27Å; L132-Y134 PolarHBondContact O-N 3.02Å; L132-F278 HydrophobicContact CD1-CE2 4.4Å; L132-F278 HydrophobicContact CD2-CE2 4.29Å; L132-F278 HydrophobicContact CG-CE2 4.02Å
133P50.1Low68.3Low50 Ų5060.8 Ų60.833%0.32533%0.329SS..  trans-56.7132.3163.6-7.919.5000108I135 H275P133-I135 PolarHBondContact O-N 3.16Å; P133-H275 WeakPolarHBondContact CG-CE1 3.43Å
134Y60Low69.4Low149 Ų14958.7 Ų58.758%0.58431%0.314SS*.  trans-61.4100.1169-178.9-95.8000107.7L132 S136L132-Y134 PolarHBondContact O-N 3.02Å; Y134-S136 PolarHBondContact O-N 2.73Å
135I69.1Low70.9Confident7 Ų759.2 Ų59.24%0.03632%0.317CS..  trans-80.3114.3164.4-61.9-63.5000106.2R116 Q119 P133 Y137R116-I135 HydrophobicContact CB-CG2 4.35Å; R116-I135 HydrophobicContact CG-CG2 4.38Å; Q119-I135 HydrophobicContact CB-CB 4.43Å; Q119-I135 HydrophobicContact CB-CG1 3.72Å; Q119-I135 HydrophobicContact CG-CG1 4.4Å; Q119-I135 VanDerWaalsContact OE1-CD1 3.3Å; P133-I135 PolarHBondContact O-N 3.16Å; I135-Y137 PolarHBondContact O-N 2.64Å
136S76.4Confident72.6Confident15 Ų1557.2 Ų57.211%0.10530%0.301CS..  trans-61121.3177159.90000110.3Y134 E138 I139Y134-S136 PolarHBondContact O-N 2.73Å; S136-E138 WeakPolarHBondContact CB-OE2 3.37Å; S136-E138 PolarHBondContact O-N 2.66Å; S136-E138 VanDerWaalsContact OG-CB 3.3Å; S136-E138 WeakPolarHBondContact OG-CB 3.47Å; S136-E138 PolarHBondContact OG-N 2.92Å; S136-E138 PolarHBondContact OG-OE2 2.84Å; S136-I139 PolarHBondContact O-N 3.05Å; S136-I139 PolarHBondContact OG-N 3.21Å
137Y86.1Confident74.6Confident4 Ų453.4 Ų53.42%0.01628%0.281CS..Hα-helixtrans-58.5-33.8169.3160.9-93.6000110.6L120 I135 I139 I140 E141 L202 V203 K211L120-Y137 HydrophobicContact CD2-CD2 3.99Å; I135-Y137 PolarHBondContact O-N 2.64Å; Y137-I139 PolarHBondContact O-N 3.09Å; Y137-I140 PolarHBondContact O-N 2.95Å; Y137-E141 HydrophobicContact CD1-CB 4.39Å; Y137-E141 HydrophobicContact CE1-CB 3.83Å; Y137-E141 HydrophobicContact CE1-CG 4.33Å; Y137-E141 WeakPolarHBondContact CE1-OE2 3.33Å; Y137-E141 PolarHBondContact O-N 3.26Å; Y137-L202 HydrophobicContact CE2-CG 4.39Å; Y137-V203 HydrophobicContact CE2-CG2 4.26Å; Y137-K211 HydrophobicContact CD1-CD 4.31Å; Y137-K211 VanDerWaalsContact CD1-CE 3.49Å; Y137-K211 VanDerWaalsContact CD1-NZ 3.34Å; Y137-K211 HydrophobicContact CD2-CD 4.08Å; Y137-K211 HydrophobicContact CD2-CG 4.17Å; Y137-K211 HydrophobicContact CE1-CD 3.89Å; Y137-K211 VanDerWaalsContact CE1-CE 3.44Å; Y137-K211 HydrophobicContact CE2-CB 4.5Å; Y137-K211 HydrophobicContact CE2-CD 3.63Å; Y137-K211 HydrophobicContact CE2-CG 3.96Å; Y137-K211 HydrophobicContact CG-CD 4.4Å
138E88.8Confident76.9Confident89 Ų8946 Ų4642%0.41625%0.246SC..Hα-helixtrans-58.3-34.7-179.2-57.768.3-151.900111.8S136 E141 E142S136-E138 WeakPolarHBondContact CB-OE2 3.37Å; S136-E138 PolarHBondContact O-N 2.66Å; S136-E138 VanDerWaalsContact OG-CB 3.3Å; S136-E138 WeakPolarHBondContact OG-CB 3.47Å; S136-E138 PolarHBondContact OG-N 2.92Å; S136-E138 PolarHBondContact OG-OE2 2.84Å; E138-E141 PolarHBondContact O-N 3.09Å; E138-E142 VanDerWaalsContact O-CB 3.23Å; E138-E142 WeakPolarHBondContact O-CB 3.41Å; E138-E142 PolarHBondContact O-N 3.43Å
139I92Very high79.3Confident13 Ų1346.2 Ų46.27%0.06725%0.248CC..Hα-helixtrans-64.1-45.5174.6-64.6165000111.3I82 L87 W112 S136 Y137 E141 Y143I82-I139 HydrophobicContact CG2-CD1 3.95Å; I82-I139 HydrophobicContact CG2-CG1 4.13Å; I82-I139 HydrophobicContact CG2-CG2 3.8Å; L87-I139 HydrophobicContact CD1-CG2 4.14Å; L87-I139 HydrophobicContact CD2-CG2 4.17Å; W112-I139 HydrophobicContact CH2-CG2 4.01Å; W112-I139 HydrophobicContact CZ2-CG2 4.15Å; S136-I139 PolarHBondContact O-N 3.05Å; S136-I139 PolarHBondContact OG-N 3.21Å; Y137-I139 PolarHBondContact O-N 3.09Å; I139-E141 VanDerWaalsContact C-N 3.35Å; I139-Y143 VanDerWaalsContact O-CB 3.28Å; I139-Y143 WeakPolarHBondContact O-CB 3.42Å; I139-Y143 PolarHBondContact O-N 2.91Å
140I92.6Very high81.6Confident0 Ų043.2 Ų43.20%022%0.219CC..Hα-helixtrans-65.7-44.5179-59.9170.2000109.3L113 R116 V117 L120 Y137 Y143 V144 L202 V203L113-I140 HydrophobicContact CD1-CG2 4.28Å; R116-I140 HydrophobicContact CB-CD1 4.07Å; R116-I140 HydrophobicContact CB-CG1 3.99Å; V117-I140 HydrophobicContact CG2-CD1 4.27Å; V117-I140 HydrophobicContact CG2-CG2 4.11Å; L120-I140 HydrophobicContact CB-CD1 4.27Å; L120-I140 HydrophobicContact CD2-CD1 4.18Å; Y137-I140 PolarHBondContact O-N 2.95Å; I140-Y143 PolarHBondContact O-N 3.37Å; I140-V144 HydrophobicContact CG2-CG2 4.23Å; I140-V144 WeakPolarHBondContact O-CB 3.42Å; I140-V144 VanDerWaalsContact O-CG2 3.24Å; I140-V144 WeakPolarHBondContact O-CG2 3.05Å; I140-V144 PolarHBondContact O-N 2.94Å; I140-L202 HydrophobicContact CD1-CD2 4.27Å; I140-L202 HydrophobicContact CG2-CD2 4.22Å; I140-V203 HydrophobicContact CG2-CG2 4.02Å
141E93.3Very high83.8Confident37 Ų3737.4 Ų37.417%0.17319%0.188CC..Hα-helixtrans-59.4-51.6177.2173.6175.1-161.100112.1Y137 E138 I139 V144 T145 V203 K225Y137-E141 HydrophobicContact CD1-CB 4.39Å; Y137-E141 HydrophobicContact CE1-CB 3.83Å; Y137-E141 HydrophobicContact CE1-CG 4.33Å; Y137-E141 WeakPolarHBondContact CE1-OE2 3.33Å; Y137-E141 PolarHBondContact O-N 3.26Å; E138-E141 PolarHBondContact O-N 3.09Å; I139-E141 VanDerWaalsContact C-N 3.35Å; E141-V144 PolarHBondContact O-N 2.9Å; E141-T145 HydrophobicContact CG-CG2 4.28Å; E141-T145 VanDerWaalsContact O-CB 3.27Å; E141-T145 WeakPolarHBondContact O-CB 3.28Å; E141-T145 WeakPolarHBondContact O-CG2 3.32Å; E141-T145 PolarHBondContact O-N 3.19Å; E141-T145 PolarHBondContact O-OG1 3.44Å; E141-V203 HydrophobicContact CB-CG1 4.25Å; E141-V203 HydrophobicContact CB-CG2 4.23Å; E141-V203 HydrophobicContact CG-CG1 3.96Å; E141-K225 HydrophobicContact CG-CD 4.49Å; E141-K225 WeakPolarHBondContact OE1-CD 3.29Å; E141-K225 WeakPolarHBondContact OE1-CE 3.32Å; E141-K225 IonicContact OE1-NZ 3.46Å; E141-K225 PolarHBondContact OE1-NZ 2.69Å
142E95.1Very high85.8Confident81 Ų8132.9 Ų32.938%0.37917%0.173SC..Hα-helixtrans-60.8-47.1179.8-177.9172.7-178.700110.3L87 E138 T145 A146L87-E142 HydrophobicContact CD2-CB 3.96Å; L87-E142 HydrophobicContact CD2-CG 3.86Å; L87-E142 WeakPolarHBondContact CD2-OE2 3.49Å; E138-E142 VanDerWaalsContact O-CB 3.23Å; E138-E142 WeakPolarHBondContact O-CB 3.41Å; E138-E142 PolarHBondContact O-N 3.43Å; E142-T145 PolarHBondContact O-N 3.49Å; E142-A146 WeakPolarHBondContact O-CB 3.27Å; E142-A146 PolarHBondContact O-N 2.93Å
143Y97.4Very high87.6Confident0 Ų034.8 Ų34.80%019%0.19CC..Hα-helixtrans-55.5-56.4175.7-179.8-94.4000112.3L87 L90 I91 S94 V109 W112 L113 I139 I140 T145 L147L87-Y143 HydrophobicContact CD1-CD2 4.23Å; L90-Y143 HydrophobicContact CD2-CD2 4.32Å; L90-Y143 HydrophobicContact CD2-CE2 4.25Å; L90-Y143 HydrophobicContact CG-CD2 4.38Å; L90-Y143 HydrophobicContact CG-CE2 3.99Å; I91-Y143 HydrophobicContact CG1-CD2 3.7Å; I91-Y143 HydrophobicContact CG1-CE2 4.25Å; I91-Y143 HydrophobicContact CG1-CG 4.45Å; S94-Y143 VanDerWaalsContact CB-OH 3.3Å; S94-Y143 WeakPolarHBondContact CB-OH 3.19Å; S94-Y143 PolarHBondContact OG-OH 3.21Å; V109-Y143 WeakPolarHBondContact CG1-OH 3.29Å; W112-Y143 HydrophobicContact CH2-CD2 4.05Å; W112-Y143 HydrophobicContact CH2-CG 4.11Å; W112-Y143 HydrophobicContact CZ3-CD1 4.07Å; W112-Y143 AromaticContact CZ3-CD2 3.71Å; W112-Y143 HydrophobicContact CZ3-CD2 3.71Å; W112-Y143 HydrophobicContact CZ3-CE1 4.43Å; W112-Y143 HydrophobicContact CZ3-CE2 4.11Å; W112-Y143 AromaticContact CZ3-CG 3.69Å; W112-Y143 HydrophobicContact CZ3-CG 3.69Å; L113-Y143 HydrophobicContact CD1-CD1 3.93Å; L113-Y143 HydrophobicContact CD1-CE1 4.25Å; L113-Y143 HydrophobicContact CD2-CD1 4.34Å; L113-Y143 HydrophobicContact CD2-CE1 3.92Å; I139-Y143 VanDerWaalsContact O-CB 3.28Å; I139-Y143 WeakPolarHBondContact O-CB 3.42Å; I139-Y143 PolarHBondContact O-N 2.91Å; I140-Y143 PolarHBondContact O-N 3.37Å; Y143-T145 VanDerWaalsContact C-N 3.34Å; Y143-T145 PolarHBondContact O-N 3.33Å; Y143-L147 HydrophobicContact CE1-CD2 3.95Å; Y143-L147 WeakPolarHBondContact O-CB 2.97Å; Y143-L147 PolarHBondContact O-N 3.23Å
144V96.5Very high89.1Confident0 Ų035.5 Ų35.50%019%0.19CC..Hα-helixtrans-63.9-42.2-175169.40000110.7L113 I140 E141 T148 F196 V200 V203 Y204L113-V144 HydrophobicContact CD1-CG2 4.43Å; I140-V144 HydrophobicContact CG2-CG2 4.23Å; I140-V144 WeakPolarHBondContact O-CB 3.42Å; I140-V144 VanDerWaalsContact O-CG2 3.24Å; I140-V144 WeakPolarHBondContact O-CG2 3.05Å; I140-V144 PolarHBondContact O-N 2.94Å; E141-V144 PolarHBondContact O-N 2.9Å; V144-T148 WeakPolarHBondContact O-CB 3.49Å; V144-T148 PolarHBondContact O-N 3.05Å; V144-T148 PolarHBondContact O-OG1 3.19Å; V144-F196 HydrophobicContact CG1-CE2 4.35Å; V144-V200 HydrophobicContact CG1-CG2 3.85Å; V144-V203 HydrophobicContact CB-CB 4.45Å; V144-V203 HydrophobicContact CB-CG2 4.11Å; V144-V203 HydrophobicContact CG1-CB 4.2Å; V144-V203 HydrophobicContact CG1-CG1 4.38Å; V144-V203 HydrophobicContact CG1-CG2 4.36Å; V144-V203 HydrophobicContact CG2-CG2 4.22Å; V144-Y204 HydrophobicContact CG1-CD2 4.41Å; V144-Y204 HydrophobicContact CG1-CE2 3.92Å
145T95.5Very high89Confident23 Ų2337 Ų3714%0.14120%0.202CC..Hα-helixtrans-76.8-38.5-174.558.60000112.7E141 E142 Y143 S149 V203 Y204 K225E141-T145 HydrophobicContact CG-CG2 4.28Å; E141-T145 VanDerWaalsContact O-CB 3.27Å; E141-T145 WeakPolarHBondContact O-CB 3.28Å; E141-T145 WeakPolarHBondContact O-CG2 3.32Å; E141-T145 PolarHBondContact O-N 3.19Å; E141-T145 PolarHBondContact O-OG1 3.44Å; E142-T145 PolarHBondContact O-N 3.49Å; Y143-T145 VanDerWaalsContact C-N 3.34Å; Y143-T145 PolarHBondContact O-N 3.33Å; T145-S149 VanDerWaalsContact O-CB 3.3Å; T145-S149 WeakPolarHBondContact O-CB 3.4Å; T145-S149 PolarHBondContact O-N 3.26Å; T145-V203 HydrophobicContact CG2-CG1 3.6Å; T145-Y204 HydrophobicContact CG2-CE1 4.08Å; T145-Y204 HydrophobicContact CG2-CE2 4.4Å; T145-Y204 WeakPolarHBondContact CG2-OH 3.45Å; T145-K225 HydrophobicContact CG2-CD 3.36Å; T145-K225 PolarHBondContact OG1-NZ 2.87Å
146A96.7Very high88.1Confident30 Ų3038 Ų3825%0.24821%0.214CC..Hα-helixtrans-67.9-44.4174.100000111.5I91 E142 T148 S149 D150I91-A146 HydrophobicContact CD1-CB 3.66Å; I91-A146 HydrophobicContact CG1-CB 4.3Å; I91-A146 HydrophobicContact CG2-CB 3.92Å; E142-A146 WeakPolarHBondContact O-CB 3.27Å; E142-A146 PolarHBondContact O-N 2.93Å; A146-T148 PolarHBondContact O-N 3.34Å; A146-S149 WeakPolarHBondContact O-CB 3.06Å; A146-S149 PolarHBondContact O-N 3.3Å; A146-D150 WeakPolarHBondContact O-CB 3.47Å; A146-D150 PolarHBondContact O-N 3.38Å
147L97.3Very high86.6Confident0 Ų038.6 Ų38.60%022%0.218CC..Hα-helixtrans-61.7-44.8175.8-178.863.3000111.6I91 S95 I98 Y143 S149 D150 M151 F192 F196I91-L147 HydrophobicContact CG2-CB 4.47Å; S95-L147 WeakPolarHBondContact OG-CD1 3.37Å; I98-L147 HydrophobicContact CD1-CD1 3.92Å; I98-L147 HydrophobicContact CD1-CD2 4.16Å; I98-L147 HydrophobicContact CD1-CG 4.37Å; Y143-L147 HydrophobicContact CE1-CD2 3.95Å; Y143-L147 WeakPolarHBondContact O-CB 2.97Å; Y143-L147 PolarHBondContact O-N 3.23Å; L147-S149 VanDerWaalsContact C-N 3.32Å; L147-S149 PolarHBondContact O-N 3.46Å; L147-D150 PolarHBondContact O-N 3Å; L147-M151 HydrophobicContact CD1-CE 4.5Å; L147-M151 HydrophobicContact CD1-CG 4.23Å; L147-M151 HydrophobicContact CG-CG 4.48Å; L147-M151 VanDerWaalsContact O-CG 3.28Å; L147-M151 WeakPolarHBondContact O-CG 3.42Å; L147-M151 PolarHBondContact O-N 3.05Å; L147-F192 HydrophobicContact CD2-CE1 4.3Å; L147-F192 HydrophobicContact CD2-CZ 3.69Å; L147-F196 HydrophobicContact CD2-CD2 4.01Å; L147-F196 HydrophobicContact CD2-CE2 3.79Å; L147-F196 HydrophobicContact CG-CE2 4.36Å
148T94.8Very high84.4Confident1 Ų141.6 Ų41.61%0.00624%0.238CC..Hα-helixtrans-57.6-46.8174.4-65.20000110.8V144 A146 M151 L152 P228 I231V144-T148 WeakPolarHBondContact O-CB 3.49Å; V144-T148 PolarHBondContact O-N 3.05Å; V144-T148 PolarHBondContact O-OG1 3.19Å; A146-T148 PolarHBondContact O-N 3.34Å; T148-M151 PolarHBondContact O-N 3.44Å; T148-L152 HydrophobicContact CG2-CD1 3.74Å; T148-L152 HydrophobicContact CG2-CG 4.35Å; T148-L152 WeakPolarHBondContact O-CB 3.08Å; T148-L152 WeakPolarHBondContact O-CG 3.43Å; T148-L152 PolarHBondContact O-N 2.85Å; T148-P228 HydrophobicContact CG2-CG 3.99Å; T148-I231 HydrophobicContact CG2-CD1 3.71Å; T148-I231 HydrophobicContact CG2-CG1 3.6Å
149S93.5Very high82.1Confident73 Ų7339.8 Ų39.851%0.5123%0.231SC..Hα-helixtrans-62.1-45.6178.3-174.10000112.2T145 A146 L147 M151 L152 S153T145-S149 VanDerWaalsContact O-CB 3.3Å; T145-S149 WeakPolarHBondContact O-CB 3.4Å; T145-S149 PolarHBondContact O-N 3.26Å; A146-S149 WeakPolarHBondContact O-CB 3.06Å; A146-S149 PolarHBondContact O-N 3.3Å; L147-S149 VanDerWaalsContact C-N 3.32Å; L147-S149 PolarHBondContact O-N 3.46Å; S149-M151 PolarHBondContact O-N 2.91Å; S149-L152 PolarHBondContact O-N 3.39Å; S149-S153 WeakPolarHBondContact O-CB 3.49Å; S149-S153 PolarHBondContact O-N 2.92Å
150D93.5Very high79.6Confident29 Ų2943.7 Ų43.716%0.15526%0.26CS..Hα-helixtrans-57.1-51176.7-84.81.2000110.5K92 S95 A146 L147 L152 S153 I154K92-D150 WeakPolarHBondContact CD-OD2 3.27Å; K92-D150 IonicContact NZ-OD1 3.25Å; K92-D150 PolarHBondContact NZ-OD1 3.01Å; K92-D150 IonicContact NZ-OD2 2.87Å; K92-D150 PolarHBondContact NZ-OD2 3.15Å; S95-D150 WeakPolarHBondContact OG-CB 3.5Å; S95-D150 PolarHBondContact OG-OD2 3.31Å; A146-D150 WeakPolarHBondContact O-CB 3.47Å; A146-D150 PolarHBondContact O-N 3.38Å; L147-D150 PolarHBondContact O-N 3Å; D150-L152 VanDerWaalsContact C-N 3.34Å; D150-L152 PolarHBondContact O-N 3.15Å; D150-S153 WeakPolarHBondContact O-CB 3.29Å; D150-S153 PolarHBondContact O-N 2.86Å; D150-S153 VanDerWaalsContact O-N 3.13Å; D150-S153 PolarHBondContact O-OG 2.69Å; D150-I154 PolarHBondContact O-N 2.64Å
151M92.2Very high76.8Confident2 Ų247.7 Ų47.71%0.0129%0.288CS..Hα-helixtrans-67.4-33.3-177.7-64.8-6093.200113.5S95 I98 L147 T148 S149 S153 I154 N180 P181 L182S95-M151 VanDerWaalsContact CA-CE 3.46Å; S95-M151 WeakPolarHBondContact OG-CE 3.47Å; I98-M151 HydrophobicContact CB-SD 3.97Å; I98-M151 HydrophobicContact CD1-CG 4.25Å; I98-M151 HydrophobicContact CD1-SD 3.95Å; I98-M151 HydrophobicContact CG2-SD 3.72Å; L147-M151 HydrophobicContact CD1-CE 4.5Å; L147-M151 HydrophobicContact CD1-CG 4.23Å; L147-M151 HydrophobicContact CG-CG 4.48Å; L147-M151 VanDerWaalsContact O-CG 3.28Å; L147-M151 WeakPolarHBondContact O-CG 3.42Å; L147-M151 PolarHBondContact O-N 3.05Å; T148-M151 PolarHBondContact O-N 3.44Å; S149-M151 PolarHBondContact O-N 2.91Å; M151-S153 VanDerWaalsContact C-N 3.31Å; M151-I154 HydrophobicContact CE-CD1 3.67Å; M151-I154 HydrophobicContact SD-CD1 4.2Å; M151-N180 PolarHBondContact O-ND2 3.43Å; M151-P181 HydrophobicContact SD-CB 4.39Å; M151-L182 HydrophobicContact CB-CD1 3.95Å; M151-L182 HydrophobicContact CB-CD2 3.65Å; M151-L182 HydrophobicContact CB-CG 3.66Å; M151-L182 HydrophobicContact CG-CD2 3.78Å; M151-L182 HydrophobicContact CG-CG 4.25Å
152L89.5Confident73.7Confident46 Ų4651 Ų5124%0.24131%0.307CS..Hα-helixtrans-75.5-20.8174.9-67.2177.1000112.8T148 S149 D150 L182 P228 Q230T148-L152 HydrophobicContact CG2-CD1 3.74Å; T148-L152 HydrophobicContact CG2-CG 4.35Å; T148-L152 WeakPolarHBondContact O-CB 3.08Å; T148-L152 WeakPolarHBondContact O-CG 3.43Å; T148-L152 PolarHBondContact O-N 2.85Å; S149-L152 PolarHBondContact O-N 3.39Å; D150-L152 VanDerWaalsContact C-N 3.34Å; D150-L152 PolarHBondContact O-N 3.15Å; L152-L182 HydrophobicContact CD2-CD1 3.77Å; L152-L182 HydrophobicContact CG-CD1 4.26Å; L152-P228 HydrophobicContact CD1-CB 3.74Å; L152-P228 HydrophobicContact CD1-CG 3.99Å; L152-Q230 HydrophobicContact CD2-CB 3.54Å; L152-Q230 HydrophobicContact CD2-CG 4.1Å
153S88.1Confident71.1Confident82 Ų8252 Ų5257%0.57332%0.32SS*.Hα-helixtrans-78.2-19.2177.977.20000114S149 D150 M151 Q155S149-S153 WeakPolarHBondContact O-CB 3.49Å; S149-S153 PolarHBondContact O-N 2.92Å; D150-S153 WeakPolarHBondContact O-CB 3.29Å; D150-S153 PolarHBondContact O-N 2.86Å; D150-S153 VanDerWaalsContact O-N 3.13Å; D150-S153 PolarHBondContact O-OG 2.69Å; M151-S153 VanDerWaalsContact C-N 3.31Å; S153-Q155 PolarHBondContact O-N 3.4Å; S153-Q155 VanDerWaalsContact O-N 3.16Å
154I82.1Confident68.1Low64 Ų6459.2 Ų59.233%0.32836%0.357SS..SBendtrans-68.6113178.8-62169.3000108.6C99 D150 M151 G156 P181C99-I154 WeakPolarHBondContact SG-CD1 3.47Å; D150-I154 PolarHBondContact O-N 2.64Å; M151-I154 HydrophobicContact CE-CD1 3.67Å; M151-I154 HydrophobicContact SD-CD1 4.2Å; I154-G156 PolarHBondContact O-N 3.4Å; I154-P181 HydrophobicContact CD1-CG 4.24Å
155Q57.5Low65.3Low181 Ų18163.9 Ų63.985%0.84638%0.382SS*.SBendtrans-66.1107.5-176.6-73.3-170.5-12.200111.7S153S153-Q155 PolarHBondContact O-N 3.4Å; S153-Q155 VanDerWaalsContact O-N 3.16Å
156G52.1Low62.3Low28 Ų2865.8 Ų65.829%0.28940%0.396SS..  trans-162.220.8165.600000111I154I154-G156 PolarHBondContact O-N 3.4Å
157S43.4Very low59.4Low27 Ų2772.8 Ų72.819%0.18942%0.421CS..  trans-133.3113-168.6174.30000110.1L159 S160S157-L159 PolarHBondContact O-N 2.8Å; S157-S160 PolarHBondContact O-N 3.38Å
158P41Very low56.2Low67 Ų6778.3 Ų78.344%0.43545%0.45SS..G310 helixtrans-62.8-11.4176-19.929.9000114.2S161 N162 L165 N177P158-S161 PolarHBondContact O-N 3.01Å; P158-S161 PolarHBondContact O-OG 2.8Å; P158-N162 PolarHBondContact O-N 2.69Å; P158-L165 HydrophobicContact CB-CD1 4.38Å; P158-N177 WeakPolarHBondContact CD-OD1 3.46Å
159L40.9Very low53.3Low51 Ų5181.5 Ų81.527%0.26747%0.467SS..G310 helixtrans-80.4-12.6-176.4-69.3171.5000114.1S157 S161S157-L159 PolarHBondContact O-N 2.8Å; L159-S161 PolarHBondContact O-N 3Å
160S38.6Very low50.7Low96 Ų9682 Ų8267%0.67146%0.462SS*.G310 helixtrans-75.6-13.7169.795.90000112.3S157S157-S160 PolarHBondContact O-N 3.38Å
161S33.6Very low47.9Very low84 Ų8487.4 Ų87.459%0.58749%0.49SS*.THydrogen-bonded Turntrans-121.6-9.1-170.350.70000116.5P158 L159P158-S161 PolarHBondContact O-N 3.01Å; P158-S161 PolarHBondContact O-OG 2.8Å; L159-S161 PolarHBondContact O-N 3Å
162N28.7Very low45.1Very low105 Ų10595 Ų9556%0.56153%0.526SS*.  trans-163.2122.4169.9-97-34.8000113.1P158 I164P158-N162 PolarHBondContact O-N 2.69Å; N162-I164 VanDerWaalsContact C-N 3.28Å; N162-I164 PolarHBondContact O-N 3.28Å
163P40.7Very low42.4Very low102 Ų10297.9 Ų97.966%0.66254%0.541SS*.SBendtrans-78.8-2.6175.528.2-29.8000114.5L165P163-L165 VanDerWaalsContact C-N 3.31Å; P163-L165 PolarHBondContact O-N 2.9Å; P163-L165 VanDerWaalsContact O-N 3.15Å
164I35Very low40Very low153 Ų15397.4 Ų97.479%0.78555%0.549SS*.  trans-91.165178.3-44.9174.6000109.7N162N162-I164 VanDerWaalsContact C-N 3.28Å; N162-I164 PolarHBondContact O-N 3.28Å
165L36.4Very low38.2Very low97 Ų9797.7 Ų97.751%0.50855%0.551SS.*  trans-111.3120.9162.9-94.9160000108.5P158 P163P158-L165 HydrophobicContact CB-CD1 4.38Å; P163-L165 VanDerWaalsContact C-N 3.31Å; P163-L165 PolarHBondContact O-N 2.9Å; P163-L165 VanDerWaalsContact O-N 3.15Å
166S32.7Very low37.6Very low63 Ų6391.9 Ų91.944%0.44153%0.529SS..  trans-62.4145.8-167.677.50000111.8N168 D169S166-N168 PolarHBondContact O-N 2.88Å; S166-D169 PolarHBondContact O-N 2.77Å; S166-D169 VanDerWaalsContact O-N 3.13Å; S166-D169 PolarHBondContact OG-OD2 3.01Å
167K35.7Very low37.7Very low178 Ų17892 Ų9277%0.77452%0.523SS*.THydrogen-bonded Turntrans-43.4-22174.1-104.1179.8172.5-178.80115.3
168N31.4Very low38.3Very low115 Ų11597.5 Ų97.562%0.61554%0.544SS*.THydrogen-bonded Turntrans-93.5-24.5-172.5-71.4-3.4000113.8S166 I171 Q172S166-N168 PolarHBondContact O-N 2.88Å; N168-I171 PolarHBondContact O-N 3.32Å; N168-Q172 PolarHBondContact O-N 2.92Å
169D32.3Very low39.7Very low68 Ų68100.5 Ų100.536%0.36456%0.556SS.*Hα-helixtrans-77.8-23-179.2-74.6-47.3000113S166 I171 N173S166-D169 PolarHBondContact O-N 2.77Å; S166-D169 VanDerWaalsContact O-N 3.13Å; S166-D169 PolarHBondContact OG-OD2 3.01Å; D169-I171 VanDerWaalsContact C-N 3.3Å; D169-I171 PolarHBondContact O-N 2.9Å; D169-N173 PolarHBondContact OD1-ND2 2.77Å; D169-N173 VanDerWaalsContact OD1-ND2 3.1Å
170M38.8Very low41.7Very low83 Ų8398.5 Ų98.541%0.40955%0.546SS..Hα-helixtrans-67.5-27.3174.3-76.9-84.6-153.700113.4L233 L321M170-L233 HydrophobicContact CE-CD1 4.5Å; M170-L321 HydrophobicContact CE-CD1 4.07Å
171I36.1Very low44Very low144 Ų14494.8 Ų94.874%0.73852%0.519SS*.Hα-helixtrans-103.1-28.3-168.4-57.8177.3000112N168 D169N168-I171 PolarHBondContact O-N 3.32Å; D169-I171 VanDerWaalsContact C-N 3.3Å; D169-I171 PolarHBondContact O-N 2.9Å
172Q33Very low46.7Very low162 Ų16290.8 Ų90.876%0.75749%0.491SS*.Hα-helixtrans-116.5-21.3-169.3-68.1-171.3-5.700115.5N168N168-Q172 PolarHBondContact O-N 2.92Å
173N32.9Very low49.5Very low106 Ų10687.1 Ų87.157%0.56747%0.47SS*.SBendtrans-116.4104.7-174.2-74.2-28000110.9D169D169-N173 PolarHBondContact OD1-ND2 2.77Å; D169-N173 VanDerWaalsContact OD1-ND2 3.1Å
174G37.4Very low51.8Low71 Ų7184.7 Ų84.773%0.73245%0.453SS*.SBendtrans33.894.7156.700000117.4
175D44.8Very low54.5Low70 Ų7077.4 Ų77.437%0.37442%0.416SS..  trans25.273.3150.6-146.212.1000113.8N177 K178 H237D175-N177 PolarHBondContact O-N 3.26Å; D175-K178 HydrophobicContact CB-CG 4.5Å; D175-K178 WeakPolarHBondContact OD2-CE 3.14Å; D175-H237 IonicContact OD1-CE1 3.06Å; D175-H237 PolarHBondContact OD1-CE1 3.47Å; D175-H237 VanDerWaalsContact OD1-CE1 3.24Å; D175-H237 IonicContact OD1-ND1 3.16Å; D175-H237 PolarHBondContact OD1-ND1 3.43Å; D175-H237 IonicContact OD2-CE1 3.87Å; D175-H237 PolarHBondContact OD2-CE1 2.89Å
176P43.9Very low57.2Low59 Ų5973.9 Ų73.938%0.38340%0.399SS..THydrogen-bonded Turntrans-63.9104.3-172.223.9-32000108.8
177N54.9Low59.8Low31 Ų3175.6 Ų75.617%0.16641%0.411CS..THydrogen-bonded Turntrans92.856166.1-44-33.2000117.4P158 D175 D179 N180 Y183P158-N177 WeakPolarHBondContact CD-OD1 3.46Å; D175-N177 PolarHBondContact O-N 3.26Å; N177-D179 PolarHBondContact O-N 3.11Å; N177-N180 PolarHBondContact O-N 3.35Å; N177-Y183 HydrophobicContact CB-CE2 4.45Å; N177-Y183 WeakPolarHBondContact O-CD2 3.4Å; N177-Y183 WeakPolarHBondContact O-CE2 3.39Å
178K55.8Low62.4Low143 Ų14368.6 Ų68.662%0.62238%0.382SS*.THydrogen-bonded Turntrans-52.8-15.7160.7-72-172.5177.4-1780114.5D175D175-K178 HydrophobicContact CB-CG 4.5Å; D175-K178 WeakPolarHBondContact OD2-CE 3.14Å
179D69.5Low65.3Low130 Ų13063.1 Ų63.170%0.69535%0.353SS*.THydrogen-bonded Turntrans-83.5-15.9-176.2-58.8-28000113.8N177 P181N177-D179 PolarHBondContact O-N 3.11Å; D179-P181 WeakPolarHBondContact O-CD 3.3Å
180N82.8Confident68.2Low9 Ų960.8 Ų60.85%0.04834%0.342CS..SBendtrans-75.1127176-172.4-67.9000110.1M151 N177 L182 Y183M151-N180 PolarHBondContact O-ND2 3.43Å; N177-N180 PolarHBondContact O-N 3.35Å; N180-L182 PolarHBondContact O-N 3.33Å; N180-L182 WeakPolarHBondContact OD1-CB 3.39Å; N180-L182 VanDerWaalsContact OD1-CG 3.23Å; N180-L182 WeakPolarHBondContact OD1-CG 3.39Å; N180-L182 PolarHBondContact OD1-N 3.35Å; N180-Y183 HydrophobicContact CB-CD2 3.92Å; N180-Y183 HydrophobicContact CB-CE2 4.18Å; N180-Y183 PolarHBondContact O-N 3.35Å
181P87.1Confident70.8Confident17 Ų1757.4 Ų57.411%0.1133%0.327CS..Hα-helixtrans-55.5-27.8-177.6-26.334.1000114.5I98 M151 I154 D179 Y183 T184 I185I98-P181 HydrophobicContact CG2-CB 3.6Å; M151-P181 HydrophobicContact SD-CB 4.39Å; I154-P181 HydrophobicContact CD1-CG 4.24Å; D179-P181 WeakPolarHBondContact O-CD 3.3Å; P181-Y183 VanDerWaalsContact C-N 3.28Å; P181-Y183 PolarHBondContact O-N 2.94Å; P181-T184 PolarHBondContact O-N 3.04Å; P181-T184 VanDerWaalsContact O-N 3.08Å; P181-T184 PolarHBondContact O-OG1 3.46Å; P181-I185 PolarHBondContact O-N 3.04Å
182L90.2Very high73.7Confident1 Ų150.5 Ų50.51%0.00529%0.292CS..Hα-helixtrans-55.7-39.6176.7-67.9171.6000112.6M151 L152 N180 T184 I185 F196 I231 W238M151-L182 HydrophobicContact CB-CD1 3.95Å; M151-L182 HydrophobicContact CB-CD2 3.65Å; M151-L182 HydrophobicContact CB-CG 3.66Å; M151-L182 HydrophobicContact CG-CD2 3.78Å; M151-L182 HydrophobicContact CG-CG 4.25Å; L152-L182 HydrophobicContact CD2-CD1 3.77Å; L152-L182 HydrophobicContact CG-CD1 4.26Å; N180-L182 PolarHBondContact O-N 3.33Å; N180-L182 WeakPolarHBondContact OD1-CB 3.39Å; N180-L182 VanDerWaalsContact OD1-CG 3.23Å; N180-L182 WeakPolarHBondContact OD1-CG 3.39Å; N180-L182 PolarHBondContact OD1-N 3.35Å; L182-T184 PolarHBondContact O-N 3.42Å; L182-I185 HydrophobicContact CD2-CD1 3.72Å; L182-I185 PolarHBondContact O-N 3Å; L182-F196 HydrophobicContact CD2-CE1 4.43Å; L182-I231 HydrophobicContact CD1-CD1 3.77Å; L182-W238 WeakPolarHBondContact O-CZ2 3.3Å; L182-W238 PolarHBondContact O-NE1 3.02Å
183Y89.3Confident76.6Confident28 Ų2842.8 Ų42.811%0.1126%0.256CS..Hα-helixtrans-65.5-26.6-178.7-72.2-80.5000112.6N177 N180 P181 C234 H237N177-Y183 HydrophobicContact CB-CE2 4.45Å; N177-Y183 WeakPolarHBondContact O-CD2 3.4Å; N177-Y183 WeakPolarHBondContact O-CE2 3.39Å; N180-Y183 HydrophobicContact CB-CD2 3.92Å; N180-Y183 HydrophobicContact CB-CE2 4.18Å; N180-Y183 PolarHBondContact O-N 3.35Å; P181-Y183 VanDerWaalsContact C-N 3.28Å; P181-Y183 PolarHBondContact O-N 2.94Å; Y183-C234 HydrophobicContact CD1-CB 4.46Å; Y183-C234 HydrophobicContact CE1-CB 4.27Å; Y183-C234 VanDerWaalsContact CZ-SG 3.54Å; Y183-H237 HydrophobicContact CD1-CB 3.83Å; Y183-H237 AromaticContact CD1-CD2 3.64Å; Y183-H237 AromaticContact CD1-CG 3.66Å; Y183-H237 HydrophobicContact CE1-CB 3.81Å
184T87.6Confident79.6Confident50 Ų5038 Ų3831%0.30723%0.23SC..Hα-helixtrans-90.2-7.9-176.5700000113.9P181 L182 S187 V188P181-T184 PolarHBondContact O-N 3.04Å; P181-T184 VanDerWaalsContact O-N 3.08Å; P181-T184 PolarHBondContact O-OG1 3.46Å; L182-T184 PolarHBondContact O-N 3.42Å; T184-S187 PolarHBondContact O-N 3.48Å; T184-S187 PolarHBondContact O-OG 2.76Å; T184-V188 WeakPolarHBondContact O-CG2 3.47Å; T184-V188 PolarHBondContact O-N 3.37Å
185I92.8Very high82.3Confident1 Ų134.6 Ų34.61%0.00520%0.195CC..Hα-helixtrans-51-49.2-175.6-73.9174.3000112.6I98 P181 L182 S187 V188 S189 F192 A193 W238I98-I185 HydrophobicContact CD1-CD1 4.1Å; I98-I185 HydrophobicContact CG2-CD1 4.33Å; I98-I185 HydrophobicContact CG2-CG1 3.99Å; P181-I185 PolarHBondContact O-N 3.04Å; L182-I185 HydrophobicContact CD2-CD1 3.72Å; L182-I185 PolarHBondContact O-N 3Å; I185-S187 PolarHBondContact O-N 2.64Å; I185-V188 PolarHBondContact O-N 3.13Å; I185-V188 VanDerWaalsContact O-N 3.09Å; I185-S189 CarbonylContact O-C 3.44Å; I185-S189 PolarHBondContact O-N 3.21Å; I185-F192 HydrophobicContact CD1-CE1 4.29Å; I185-F192 HydrophobicContact CG2-CD1 3.78Å; I185-A193 HydrophobicContact CG2-CB 3.79Å; I185-W238 HydrophobicContact CB-CH2 4.47Å; I185-W238 HydrophobicContact CB-CZ2 3.99Å; I185-W238 HydrophobicContact CD1-CH2 4.46Å; I185-W238 HydrophobicContact CD1-CZ2 4.21Å; I185-W238 HydrophobicContact CG2-CH2 4.42Å; I185-W238 HydrophobicContact CG2-CZ2 4.41Å
186P91.4Very high84.8Confident23 Ų2331.5 Ų31.515%0.14918%0.178CC..Hα-helixtrans-60.5-29.9179.4-24.834.3000114.5P190 A193 W238 W258P186-P190 WeakPolarHBondContact O-CG 3.28Å; P186-A193 HydrophobicContact CB-CB 4.22Å; P186-A193 HydrophobicContact CG-CB 4.01Å; P186-W238 HydrophobicContact CG-CB 3.99Å; P186-W238 HydrophobicContact CG-CD2 3.59Å; P186-W238 HydrophobicContact CG-CE3 4.23Å; P186-W238 HydrophobicContact CG-CG 3.44Å; P186-W238 VanDerWaalsContact CG-CG 3.44Å; P186-W258 HydrophobicContact CB-CG 4.33Å
187S87.5Confident87.3Confident99 Ų9928.8 Ų28.869%0.69216%0.16SC*.Hα-helixtrans-79.6-28.617655.60000113.4T184 I185T184-S187 PolarHBondContact O-N 3.48Å; T184-S187 PolarHBondContact O-OG 2.76Å; I185-S187 PolarHBondContact O-N 2.64Å
188V90.1Very high89.1Confident30 Ų3027.4 Ų27.418%0.18215%0.154CC..Hα-helixtrans-82.1-50.3179.3177.20000110.8S103 L106 T184 I185S103-V188 VanDerWaalsContact CB-O 3.25Å; S103-V188 WeakPolarHBondContact CB-O 3.43Å; S103-V188 PolarHBondContact OG-O 3.39Å; L106-V188 HydrophobicContact CD1-CB 4.48Å; L106-V188 HydrophobicContact CD1-CG1 3.56Å; T184-V188 WeakPolarHBondContact O-CG2 3.47Å; T184-V188 PolarHBondContact O-N 3.37Å; I185-V188 PolarHBondContact O-N 3.13Å; I185-V188 VanDerWaalsContact O-N 3.09Å
189S93.4Very high91Very high0 Ų020.6 Ų20.60%012%0.124CC..  trans-146.997.3179.9-176.70000110.5I185 A191 F192 A193I185-S189 CarbonylContact O-C 3.44Å; I185-S189 PolarHBondContact O-N 3.21Å; S189-A191 VanDerWaalsContact C-N 3.27Å; S189-A191 PolarHBondContact O-N 2.95Å; S189-F192 PolarHBondContact O-N 3.36Å; S189-F192 VanDerWaalsContact O-N 3.15Å; S189-F192 WeakPolarHBondContact OG-CB 3.42Å; S189-F192 PolarHBondContact OG-N 3.46Å; S189-A193 PolarHBondContact O-N 3.44Å
190P92.8Very high92.2Very high19 Ų1914.4 Ų14.412%0.1239%0.091CC..Hα-helixtrans-57-38.1176.2-26.833.8000113.7P186 A193 D194 S256 W258 I261P186-P190 WeakPolarHBondContact O-CG 3.28Å; P190-A193 WeakPolarHBondContact O-CB 3.39Å; P190-A193 PolarHBondContact O-N 2.91Å; P190-D194 PolarHBondContact O-N 3.41Å; P190-S256 WeakPolarHBondContact CB-O 3.17Å; P190-S256 WeakPolarHBondContact CG-O 3.37Å; P190-W258 HydrophobicContact CB-CB 3.98Å; P190-W258 WeakPolarHBondContact O-CA 3.31Å; P190-W258 WeakPolarHBondContact O-CB 3.5Å; P190-I261 HydrophobicContact CB-CD1 4.11Å
191A93.1Very high92.7Very high12 Ų1214 Ų1410%0.0999%0.089CC..Hα-helixtrans-64.8-41.7176.800000111.5S110 S189 D194 A195 I261 W263S110-A191 WeakPolarHBondContact OG-CB 3.43Å; S189-A191 VanDerWaalsContact C-N 3.27Å; S189-A191 PolarHBondContact O-N 2.95Å; A191-D194 PolarHBondContact O-N 3.25Å; A191-A195 WeakPolarHBondContact O-CB 3.35Å; A191-A195 PolarHBondContact O-N 3.45Å; A191-I261 HydrophobicContact CB-CD1 4.4Å; A191-W263 HydrophobicContact CB-CH2 4.11Å; A191-W263 WeakPolarHBondContact O-CH2 3.49Å; A191-W263 WeakPolarHBondContact O-CZ2 3.4Å
192F96.6Very high92.9Very high0 Ų013.4 Ų13.40%08%0.084CC..Hα-helixtrans-65.2-39.6175.9-169.4-97.9000112.3I98 L106 V109 S110 L147 I185 S189 D194 A195 F196I98-F192 HydrophobicContact CD1-CE1 3.72Å; I98-F192 HydrophobicContact CD1-CZ 4.15Å; I98-F192 HydrophobicContact CG1-CE1 4.16Å; L106-F192 HydrophobicContact CB-CB 4.07Å; L106-F192 HydrophobicContact CB-CD2 4.38Å; L106-F192 HydrophobicContact CB-CG 4.24Å; L106-F192 HydrophobicContact CD2-CD1 4.31Å; L106-F192 HydrophobicContact CD2-CD2 4.15Å; L106-F192 HydrophobicContact CD2-CE1 4.45Å; L106-F192 HydrophobicContact CD2-CE2 4.3Å; L106-F192 HydrophobicContact CD2-CG 4.16Å; L106-F192 HydrophobicContact CD2-CZ 4.44Å; V109-F192 HydrophobicContact CB-CD2 4.45Å; V109-F192 HydrophobicContact CB-CE2 4.3Å; V109-F192 HydrophobicContact CG1-CD2 4.29Å; V109-F192 HydrophobicContact CG1-CE2 3.69Å; S110-F192 VanDerWaalsContact CB-CA 3.43Å; L147-F192 HydrophobicContact CD2-CE1 4.3Å; L147-F192 HydrophobicContact CD2-CZ 3.69Å; I185-F192 HydrophobicContact CD1-CE1 4.29Å; I185-F192 HydrophobicContact CG2-CD1 3.78Å; S189-F192 PolarHBondContact O-N 3.36Å; S189-F192 VanDerWaalsContact O-N 3.15Å; S189-F192 WeakPolarHBondContact OG-CB 3.42Å; S189-F192 PolarHBondContact OG-N 3.46Å; F192-D194 VanDerWaalsContact C-N 3.34Å; F192-D194 PolarHBondContact O-N 2.91Å; F192-A195 PolarHBondContact O-N 3.16Å; F192-F196 HydrophobicContact CD1-CB 4.36Å; F192-F196 HydrophobicContact CE1-CB 4.1Å; F192-F196 HydrophobicContact CE1-CG 4.34Å; F192-F196 HydrophobicContact CZ-CB 4.45Å; F192-F196 WeakPolarHBondContact O-CB 3.41Å; F192-F196 PolarHBondContact O-N 2.75Å
193A95.1Very high92.9Very high0 Ų013.3 Ų13.30%08%0.084CC..Hα-helixtrans-55.8-47.4175.500000112.1I185 P186 S189 P190 L197 W258I185-A193 HydrophobicContact CG2-CB 3.79Å; P186-A193 HydrophobicContact CB-CB 4.22Å; P186-A193 HydrophobicContact CG-CB 4.01Å; S189-A193 PolarHBondContact O-N 3.44Å; P190-A193 WeakPolarHBondContact O-CB 3.39Å; P190-A193 PolarHBondContact O-N 2.91Å; A193-L197 VanDerWaalsContact O-CB 3.29Å; A193-L197 WeakPolarHBondContact O-CB 3.49Å; A193-L197 PolarHBondContact O-N 3.32Å; A193-W258 HydrophobicContact CB-CB 3.75Å; A193-W258 HydrophobicContact CB-CG 4.12Å
194D94.6Very high93Very high5 Ų512.6 Ų12.63%0.0278%0.081CC..Hα-helixtrans-69.6-42.4179.6-179.479.2000113K114 P190 A191 F192 L197 S198 W258 I261 W263 P290K114-D194 IonicContact NZ-OD2 3.23Å; K114-D194 PolarHBondContact NZ-OD2 3.18Å; P190-D194 PolarHBondContact O-N 3.41Å; A191-D194 PolarHBondContact O-N 3.25Å; F192-D194 VanDerWaalsContact C-N 3.34Å; F192-D194 PolarHBondContact O-N 2.91Å; D194-L197 PolarHBondContact O-N 2.54Å; D194-S198 PolarHBondContact O-N 3.21Å; D194-S198 PolarHBondContact O-OG 3.35Å; D194-W258 WeakPolarHBondContact CB-O 3.26Å; D194-I261 HydrophobicContact CB-CG1 4.22Å; D194-W263 HydrophobicContact CB-CZ2 4.29Å; D194-W263 PolarHBondContact OD2-NE1 3.44Å; D194-P290 WeakPolarHBondContact OD1-CG 3.4Å
195A95.8Very high92.8Very high0 Ų010.4 Ų10.40%07%0.068CC..Hα-helixtrans-62.8-45.9175.700000111.5S110 L113 K114 A191 F192 S198 G199 W263S110-A195 VanDerWaalsContact O-CB 3.26Å; S110-A195 WeakPolarHBondContact O-CB 3.49Å; L113-A195 HydrophobicContact CB-CB 4.42Å; L113-A195 HydrophobicContact CD2-CB 4.27Å; L113-A195 WeakPolarHBondContact CD2-O 3.1Å; L113-A195 HydrophobicContact CG-CB 4.49Å; K114-A195 HydrophobicContact CB-CB 4.24Å; K114-A195 HydrophobicContact CD-CB 4.13Å; A191-A195 WeakPolarHBondContact O-CB 3.35Å; A191-A195 PolarHBondContact O-N 3.45Å; F192-A195 PolarHBondContact O-N 3.16Å; A195-S198 WeakPolarHBondContact O-CB 3.3Å; A195-S198 PolarHBondContact O-N 2.8Å; A195-G199 PolarHBondContact O-N 2.8Å; A195-W263 HydrophobicContact CB-CH2 3.89Å; A195-W263 HydrophobicContact CB-CZ2 3.98Å
196F97.2Very high92.3Very high4 Ų410.6 Ų10.62%0.0187%0.069CC..Hα-helixtrans-64.7-42.8178.5-175.2-111.5000111.5L113 V144 L147 L182 F192 S198 G199 V200 I231 W238L113-F196 HydrophobicContact CD2-CB 4.47Å; V144-F196 HydrophobicContact CG1-CE2 4.35Å; L147-F196 HydrophobicContact CD2-CD2 4.01Å; L147-F196 HydrophobicContact CD2-CE2 3.79Å; L147-F196 HydrophobicContact CG-CE2 4.36Å; L182-F196 HydrophobicContact CD2-CE1 4.43Å; F192-F196 HydrophobicContact CD1-CB 4.36Å; F192-F196 HydrophobicContact CE1-CB 4.1Å; F192-F196 HydrophobicContact CE1-CG 4.34Å; F192-F196 HydrophobicContact CZ-CB 4.45Å; F192-F196 WeakPolarHBondContact O-CB 3.41Å; F192-F196 PolarHBondContact O-N 2.75Å; F196-S198 PolarHBondContact O-N 3.05Å; F196-G199 PolarHBondContact O-N 3.38Å; F196-G199 VanDerWaalsContact O-N 3.14Å; F196-V200 HydrophobicContact CD1-CG2 3.88Å; F196-V200 HydrophobicContact CD2-CG2 4.27Å; F196-V200 HydrophobicContact CE1-CG2 3.55Å; F196-V200 HydrophobicContact CE2-CG2 3.93Å; F196-V200 HydrophobicContact CG-CG2 4.25Å; F196-V200 HydrophobicContact CZ-CG2 3.58Å; F196-V200 WeakPolarHBondContact O-CB 3.02Å; F196-V200 VanDerWaalsContact O-CG2 3.32Å; F196-V200 WeakPolarHBondContact O-CG2 3.42Å; F196-V200 PolarHBondContact O-N 3.47Å; F196-I231 HydrophobicContact CE1-CD1 4.43Å; F196-W238 AromaticContact CD1-CH2 3.99Å; F196-W238 HydrophobicContact CD1-CH2 3.99Å
197L95.7Very high91.8Very high2 Ų211.3 Ų11.31%0.017%0.07CC..Hα-helixtrans-57.7-39.6173.3177.262.4000111.9A193 D194 V200 T201 I235 W258 P290 L294A193-L197 VanDerWaalsContact O-CB 3.29Å; A193-L197 WeakPolarHBondContact O-CB 3.49Å; A193-L197 PolarHBondContact O-N 3.32Å; D194-L197 PolarHBondContact O-N 2.54Å; L197-V200 PolarHBondContact O-N 2.64Å; L197-T201 HydrophobicContact CD1-CG2 3.8Å; L197-T201 HydrophobicContact CG-CG2 4.36Å; L197-T201 WeakPolarHBondContact O-CB 3.28Å; L197-T201 WeakPolarHBondContact O-CG2 3.44Å; L197-T201 PolarHBondContact O-N 2.9Å; L197-T201 PolarHBondContact O-OG1 3.02Å; L197-I235 HydrophobicContact CD1-CD1 3.66Å; L197-I235 HydrophobicContact CD1-CG1 4.01Å; L197-I235 HydrophobicContact CD1-CG2 4.1Å; L197-W258 HydrophobicContact CD2-CH2 4.15Å; L197-W258 HydrophobicContact CD2-CZ3 3.56Å; L197-P290 HydrophobicContact CD2-CB 4.33Å; L197-L294 HydrophobicContact CD1-CD2 3.83Å; L197-L294 HydrophobicContact CD2-CD1 4.34Å; L197-L294 HydrophobicContact CD2-CG 4.49Å
198S93.5Very high91.6Very high3 Ų36.6 Ų6.62%0.0214%0.037CC..Hα-helixtrans-64.4-42.4177.1-53.70000111.8K114 D194 A195 F196 T201 L202K114-S198 PolarHBondContact NZ-OG 3.34Å; D194-S198 PolarHBondContact O-N 3.21Å; D194-S198 PolarHBondContact O-OG 3.35Å; A195-S198 WeakPolarHBondContact O-CB 3.3Å; A195-S198 PolarHBondContact O-N 2.8Å; F196-S198 PolarHBondContact O-N 3.05Å; S198-T201 PolarHBondContact O-OG1 3.3Å; S198-L202 WeakPolarHBondContact O-CB 3.36Å; S198-L202 PolarHBondContact O-N 2.68Å
199G95Very high91.4Very high0 Ų05.6 Ų5.60%03%0.032CC..Hα-helixtrans-65.8-45.317400000112.5A195 F196 L202 V203A195-G199 PolarHBondContact O-N 2.8Å; F196-G199 PolarHBondContact O-N 3.38Å; F196-G199 VanDerWaalsContact O-N 3.14Å; G199-L202 PolarHBondContact O-N 2.78Å; G199-V203 WeakPolarHBondContact O-CB 3.36Å; G199-V203 VanDerWaalsContact O-CG2 3.26Å; G199-V203 WeakPolarHBondContact O-CG2 3.22Å; G199-V203 PolarHBondContact O-N 2.57Å
200V95.3Very high91Very high0 Ų05.9 Ų5.90%03%0.033CC..Hα-helixtrans-58.9-50.5178.9162.70000111.4V144 F196 L197 L202 V203 Y204 I231 I235 W297V144-V200 HydrophobicContact CG1-CG2 3.85Å; F196-V200 HydrophobicContact CD1-CG2 3.88Å; F196-V200 HydrophobicContact CD2-CG2 4.27Å; F196-V200 HydrophobicContact CE1-CG2 3.55Å; F196-V200 HydrophobicContact CE2-CG2 3.93Å; F196-V200 HydrophobicContact CG-CG2 4.25Å; F196-V200 HydrophobicContact CZ-CG2 3.58Å; F196-V200 WeakPolarHBondContact O-CB 3.02Å; F196-V200 VanDerWaalsContact O-CG2 3.32Å; F196-V200 WeakPolarHBondContact O-CG2 3.42Å; F196-V200 PolarHBondContact O-N 3.47Å; L197-V200 PolarHBondContact O-N 2.64Å; V200-L202 PolarHBondContact O-N 3.23Å; V200-V203 PolarHBondContact O-N 2.78Å; V200-Y204 HydrophobicContact CG1-CD2 4.13Å; V200-Y204 PolarHBondContact O-N 3.32Å; V200-I231 HydrophobicContact CG1-CG2 3.71Å; V200-I235 HydrophobicContact CG1-CD1 3.98Å; V200-W297 HydrophobicContact CG1-CH2 3.35Å; V200-W297 HydrophobicContact CG1-CZ2 3.64Å; V200-W297 HydrophobicContact CG1-CZ3 4.44Å; V200-W297 WeakPolarHBondContact O-CZ2 3.39Å
201T92.8Very high90.5Very high1 Ų17.2 Ų7.21%0.0064%0.037CC..Hα-helixtrans-67.7-23.5-178.550.50000113.8L197 S198 C293 L294 W297L197-T201 HydrophobicContact CD1-CG2 3.8Å; L197-T201 HydrophobicContact CG-CG2 4.36Å; L197-T201 WeakPolarHBondContact O-CB 3.28Å; L197-T201 WeakPolarHBondContact O-CG2 3.44Å; L197-T201 PolarHBondContact O-N 2.9Å; L197-T201 PolarHBondContact O-OG1 3.02Å; S198-T201 PolarHBondContact O-OG1 3.3Å; T201-C293 HydrophobicContact CG2-CB 3.87Å; T201-C293 WeakPolarHBondContact OG1-CB 3.4Å; T201-L294 HydrophobicContact CG2-CD2 4.19Å; T201-W297 HydrophobicContact CG2-CZ2 4.37Å; T201-W297 PolarHBondContact O-NE1 3.47Å
202L90.3Very high89.9Confident3 Ų38 Ų82%0.0164%0.042CC..Hα-helixtrans-78.8-44.9173176.866.8000112.4V117 L120 Y137 I140 S198 G199 V200 K211V117-L202 HydrophobicContact CG1-CD2 4.28Å; V117-L202 HydrophobicContact CG2-CD2 4.33Å; L120-L202 HydrophobicContact CD2-CD1 4.22Å; L120-L202 HydrophobicContact CD2-CD2 3.63Å; L120-L202 HydrophobicContact CD2-CG 4.41Å; Y137-L202 HydrophobicContact CE2-CG 4.39Å; I140-L202 HydrophobicContact CD1-CD2 4.27Å; I140-L202 HydrophobicContact CG2-CD2 4.22Å; S198-L202 WeakPolarHBondContact O-CB 3.36Å; S198-L202 PolarHBondContact O-N 2.68Å; G199-L202 PolarHBondContact O-N 2.78Å; V200-L202 PolarHBondContact O-N 3.23Å; L202-K211 HydrophobicContact CD1-CB 4.24Å
203V91.6Very high89Confident0 Ų08.5 Ų8.50%05%0.045CC..Hα-helixtrans-81.9-46.2-171.6170.30000112.4Y137 I140 E141 V144 T145 G199 V200Y137-V203 HydrophobicContact CE2-CG2 4.26Å; I140-V203 HydrophobicContact CG2-CG2 4.02Å; E141-V203 HydrophobicContact CB-CG1 4.25Å; E141-V203 HydrophobicContact CB-CG2 4.23Å; E141-V203 HydrophobicContact CG-CG1 3.96Å; V144-V203 HydrophobicContact CB-CB 4.45Å; V144-V203 HydrophobicContact CB-CG2 4.11Å; V144-V203 HydrophobicContact CG1-CB 4.2Å; V144-V203 HydrophobicContact CG1-CG1 4.38Å; V144-V203 HydrophobicContact CG1-CG2 4.36Å; V144-V203 HydrophobicContact CG2-CG2 4.22Å; T145-V203 HydrophobicContact CG2-CG1 3.6Å; G199-V203 WeakPolarHBondContact O-CB 3.36Å; G199-V203 VanDerWaalsContact O-CG2 3.26Å; G199-V203 WeakPolarHBondContact O-CG2 3.22Å; G199-V203 PolarHBondContact O-N 2.57Å; V200-V203 PolarHBondContact O-N 2.78Å
204Y90.4Very high88.1Confident13 Ų138.5 Ų8.55%0.0515%0.045CC..BIsolated β-bridgetrans-93.6155.5174.5-57.1-76.5000109.9V144 T145 V200 K225 P227 W297V144-Y204 HydrophobicContact CG1-CD2 4.41Å; V144-Y204 HydrophobicContact CG1-CE2 3.92Å; T145-Y204 HydrophobicContact CG2-CE1 4.08Å; T145-Y204 HydrophobicContact CG2-CE2 4.4Å; T145-Y204 WeakPolarHBondContact CG2-OH 3.45Å; V200-Y204 HydrophobicContact CG1-CD2 4.13Å; V200-Y204 PolarHBondContact O-N 3.32Å; Y204-K225 WeakPolarHBondContact CA-O 3.47Å; Y204-K225 HydrophobicContact CD1-CB 3.47Å; Y204-K225 VanDerWaalsContact CD1-CB 3.47Å; Y204-K225 WeakPolarHBondContact CD1-O 3.36Å; Y204-K225 HydrophobicContact CE1-CB 3.66Å; Y204-K225 HydrophobicContact CE1-CD 4.37Å; Y204-P227 HydrophobicContact CD1-CB 4.49Å; Y204-P227 HydrophobicContact CG-CB 4.26Å; Y204-W297 PolarHBondContact O-NE1 2.87Å
205G84.4Confident87Confident3 Ų39.2 Ų9.23%0.0315%0.051CC..  trans154.8-167.9176.200000112.2T224 K225G205-T224 WeakPolarHBondContact O-CB 3.31Å; G205-T224 PolarHBondContact O-OG1 3.05Å; G205-K225 PolarHBondContact N-O 3.08Å
206F81.5Confident85.3Confident6 Ų613 Ų133%0.0267%0.071CC..  trans-122.6153.9-177.4-47.5-67.9000108.8P208 S209 P227 W297 F300 E301 R304 I322 I326F206-P208 CarbonylContact O-C 3.6Å; F206-S209 WeakPolarHBondContact O-CA 3.16Å; F206-S209 WeakPolarHBondContact O-CB 3.42Å; F206-S209 PolarHBondContact O-N 2.88Å; F206-P227 HydrophobicContact CE1-CG 4.21Å; F206-P227 HydrophobicContact CZ-CG 3.83Å; F206-W297 WeakPolarHBondContact CD2-O 3.42Å; F206-F300 HydrophobicContact CB-CB 4.49Å; F206-E301 HydrophobicContact CD2-CB 3.58Å; F206-E301 HydrophobicContact CD2-CG 4.05Å; F206-E301 HydrophobicContact CE1-CG 4.23Å; F206-E301 HydrophobicContact CE2-CB 3.47Å; F206-E301 VanDerWaalsContact CE2-CB 3.47Å; F206-E301 HydrophobicContact CE2-CG 3.56Å; F206-E301 HydrophobicContact CG-CB 4.29Å; F206-E301 HydrophobicContact CZ-CB 4.11Å; F206-E301 HydrophobicContact CZ-CG 3.65Å; F206-R304 HydrophobicContact CD1-CB 3.97Å; F206-R304 HydrophobicContact CD1-CG 4.26Å; F206-I322 HydrophobicContact CE1-CG2 4.45Å; F206-I322 HydrophobicContact CZ-CG2 4.12Å; F206-I326 HydrophobicContact CE2-CD1 4.14Å; F206-I326 HydrophobicContact CE2-CG1 4.29Å; F206-I326 HydrophobicContact CZ-CD1 4.39Å; F206-I326 HydrophobicContact CZ-CG1 4.28Å
207H80.4Confident83.3Confident38 Ų3818 Ų1818%0.1769%0.093CC..SBendtrans-74.8135.7174-178.775.2000110.4V219 L303H207-V219 WeakPolarHBondContact CE1-CG1 3.42Å; H207-L303 WeakPolarHBondContact O-CD1 3.3Å
208P84.4Confident81Confident0 Ų023.1 Ų23.10%013%0.126CC..SBendcis-69.1133.6-8.530.4-33.1000110.4F206 W296 F300 Q384 Q388F206-P208 CarbonylContact O-C 3.6Å; P208-W296 PolarHBondContact O-NE1 3.06Å; P208-F300 VanDerWaalsContact CD-CD1 3.49Å; P208-F300 HydrophobicContact CG-CD1 3.67Å; P208-F300 HydrophobicContact CG-CD2 4.2Å; P208-F300 HydrophobicContact CG-CE1 3.58Å; P208-F300 HydrophobicContact CG-CE2 4.15Å; P208-F300 HydrophobicContact CG-CG 3.97Å; P208-F300 HydrophobicContact CG-CZ 3.84Å; P208-Q384 HydrophobicContact CB-CG 4.41Å; P208-Q384 VanDerWaalsContact CB-OE1 3.24Å; P208-Q384 HydrophobicContact CG-CB 4.01Å; P208-Q384 HydrophobicContact CG-CG 4.29Å; P208-Q388 HydrophobicContact CG-CG 4.2Å
209S85Confident78.7Confident9 Ų927 Ų276%0.06315%0.149CC..PPolyproline II helixtrans-95.8159.1-174.968.70000112F206 K211 S212 S213 T224F206-S209 WeakPolarHBondContact O-CA 3.16Å; F206-S209 WeakPolarHBondContact O-CB 3.42Å; F206-S209 PolarHBondContact O-N 2.88Å; S209-K211 PolarHBondContact O-N 2.91Å; S209-S212 PolarHBondContact N-OG 2.74Å; S209-S212 PolarHBondContact O-N 3.22Å; S209-S212 PolarHBondContact O-OG 3.03Å; S209-S212 PolarHBondContact OG-N 3.1Å; S209-S212 VanDerWaalsContact OG-N 3.14Å; S209-S212 PolarHBondContact OG-OG 2.49Å; S209-S213 PolarHBondContact O-N 2.96Å; S209-T224 WeakPolarHBondContact OG-CG2 3.49Å
210L85.3Confident76.3Confident6 Ų631 Ų313%0.03117%0.174CC..Hα-helixtrans-57.8-38.9174.9-175.762.1000110.6S212 S213 V214 C293 W296 Y377L210-S212 PolarHBondContact O-N 3.29Å; L210-S213 PolarHBondContact O-N 3.44Å; L210-V214 HydrophobicContact CD1-CG2 4.21Å; L210-V214 HydrophobicContact CG-CG2 4.23Å; L210-V214 WeakPolarHBondContact O-CB 2.93Å; L210-V214 VanDerWaalsContact O-CG2 3.26Å; L210-V214 WeakPolarHBondContact O-CG2 3.34Å; L210-V214 PolarHBondContact O-N 3.12Å; L210-C293 HydrophobicContact CD2-CB 4.19Å; L210-W296 HydrophobicContact CB-CG 4.29Å; L210-W296 HydrophobicContact CD1-CD2 4.25Å; L210-W296 HydrophobicContact CD1-CE3 4.2Å; L210-Y377 HydrophobicContact CD1-CD1 4.34Å; L210-Y377 HydrophobicContact CD1-CE1 4.12Å
211K83.1Confident74Confident47 Ų4738.1 Ų38.120%0.20421%0.207CC..Hα-helixtrans-53.7-49171.1-179.4-165.2179.9-179.40112.1Y137 L202 S209 S213 V214 C215Y137-K211 HydrophobicContact CD1-CD 4.31Å; Y137-K211 VanDerWaalsContact CD1-CE 3.49Å; Y137-K211 VanDerWaalsContact CD1-NZ 3.34Å; Y137-K211 HydrophobicContact CD2-CD 4.08Å; Y137-K211 HydrophobicContact CD2-CG 4.17Å; Y137-K211 HydrophobicContact CE1-CD 3.89Å; Y137-K211 VanDerWaalsContact CE1-CE 3.44Å; Y137-K211 HydrophobicContact CE2-CB 4.5Å; Y137-K211 HydrophobicContact CE2-CD 3.63Å; Y137-K211 HydrophobicContact CE2-CG 3.96Å; Y137-K211 HydrophobicContact CG-CD 4.4Å; L202-K211 HydrophobicContact CD1-CB 4.24Å; S209-K211 PolarHBondContact O-N 2.91Å; K211-S213 VanDerWaalsContact C-N 3.33Å; K211-S213 PolarHBondContact O-N 3.34Å; K211-V214 PolarHBondContact O-N 2.94Å; K211-C215 PolarHBondContact O-N 3.28Å
212S79.3Confident71.9Confident29 Ų2945.1 Ų45.120%0.20324%0.239CC..Hα-helixtrans-65.4-36.2-178.763.60000112.9S209 L210 N216S209-S212 PolarHBondContact N-OG 2.74Å; S209-S212 PolarHBondContact O-N 3.22Å; S209-S212 PolarHBondContact O-OG 3.03Å; S209-S212 PolarHBondContact OG-N 3.1Å; S209-S212 VanDerWaalsContact OG-N 3.14Å; S209-S212 PolarHBondContact OG-OG 2.49Å; L210-S212 PolarHBondContact O-N 3.29Å; S212-N216 PolarHBondContact O-N 3.04Å
213S78.1Confident70.1Confident9 Ų948.6 Ų48.66%0.06327%0.269CS..Hα-helixtrans-71.3-38.5174.6168.30000112.5S209 L210 K211 W296 S380S209-S213 PolarHBondContact O-N 2.96Å; L210-S213 PolarHBondContact O-N 3.44Å; K211-S213 VanDerWaalsContact C-N 3.33Å; K211-S213 PolarHBondContact O-N 3.34Å; S213-W296 WeakPolarHBondContact OG-CH2 3.22Å; S213-S380 PolarHBondContact OG-OG 3.25Å
214V76.3Confident68.8Low0 Ų050.1 Ų50.10%028%0.278CS..Hα-helixtrans-67.3-63176.4170.80000108.7C121 S124 L210 K211 N216 Y377C121-V214 HydrophobicContact CB-CG1 4.35Å; S124-V214 WeakPolarHBondContact CB-O 3.49Å; S124-V214 WeakPolarHBondContact OG-CG1 3.28Å; S124-V214 PolarHBondContact OG-O 2.78Å; L210-V214 HydrophobicContact CD1-CG2 4.21Å; L210-V214 HydrophobicContact CG-CG2 4.23Å; L210-V214 WeakPolarHBondContact O-CB 2.93Å; L210-V214 VanDerWaalsContact O-CG2 3.26Å; L210-V214 WeakPolarHBondContact O-CG2 3.34Å; L210-V214 PolarHBondContact O-N 3.12Å; K211-V214 PolarHBondContact O-N 2.94Å; V214-N216 VanDerWaalsContact C-N 3.31Å; V214-N216 PolarHBondContact O-N 2.93Å; V214-Y377 HydrophobicContact CG2-CE1 4.17Å
215C70.9Confident68.2Low21 Ų2153.1 Ų53.114%0.14229%0.291CS..Hα-helixtrans-79.8-1.9-163-60.60000116K211 F217K211-C215 PolarHBondContact O-N 3.28Å; C215-F217 HydrophobicContact CB-CD2 3.14Å; C215-F217 HydrophobicContact CB-CE2 3.36Å; C215-F217 HydrophobicContact CB-CG 4.12Å; C215-F217 HydrophobicContact CB-CZ 4.48Å; C215-F217 PolarHBondContact O-N 2.79Å
216N61.5Low68.2Low80 Ų8057.2 Ų57.243%0.42831%0.311SS..  trans46.923.2-174.8-68.5-37.3000113.8Q127 S212 V214Q127-N216 PolarHBondContact NE2-ND2 3.48Å; S212-N216 PolarHBondContact O-N 3.04Å; V214-N216 VanDerWaalsContact C-N 3.31Å; V214-N216 PolarHBondContact O-N 2.93Å
217F53.7Low68.4Low109 Ų10957 Ų5748%0.47831%0.311SS..  trans-64.5142.1178-80.3-64.9000108.2C215 V219C215-F217 HydrophobicContact CB-CD2 3.14Å; C215-F217 HydrophobicContact CB-CE2 3.36Å; C215-F217 HydrophobicContact CB-CG 4.12Å; C215-F217 HydrophobicContact CB-CZ 4.48Å; C215-F217 PolarHBondContact O-N 2.79Å; F217-V219 PolarHBondContact O-N 2.92Å
218P48.6Very low68.8Low108 Ų10856.5 Ų56.570%0.70131%0.311SS*.  trans-52.7124.7166.823.3-30.6000106.5T220P218-T220 PolarHBondContact O-N 2.8Å
219V44.6Very low69.1Low84 Ų8457.5 Ų57.551%0.50932%0.318SS..  trans-59.381.9-176.4-177.80000108.4H207 F217 H221H207-V219 WeakPolarHBondContact CE1-CG1 3.42Å; F217-V219 PolarHBondContact O-N 2.92Å; V219-H221 PolarHBondContact O-N 2.94Å
220T45Very low69.3Low86 Ų8659.1 Ų59.153%0.52832%0.324SS..  trans-68126.4151.158.20000103.3P218 E222P218-T220 PolarHBondContact O-N 2.8Å; T220-E222 PolarHBondContact O-N 3.14Å; T220-E222 PolarHBondContact OG1-OE2 3.31Å; T220-E222 VanDerWaalsContact OG1-OE2 3.06Å
221H46.8Very low69.6Low148 Ų14859 Ų5969%0.68532%0.324SS*.  trans-59.716.6170-77.9-81.3000112.5V219 A223V219-H221 PolarHBondContact O-N 2.94Å; H221-A223 VanDerWaalsContact C-N 3.32Å; H221-A223 PolarHBondContact O-N 3.47Å
222E47.8Very low70.1Confident148 Ų14856.8 Ų56.869%0.69231%0.314SS*.  trans-69.790.7-179.7-73.6178153.500109.7T220T220-E222 PolarHBondContact O-N 3.14Å; T220-E222 PolarHBondContact OG1-OE2 3.31Å; T220-E222 VanDerWaalsContact OG1-OE2 3.06Å
223A53.4Low70.7Confident76 Ų7657.1 Ų57.163%0.62831%0.313SS*.  trans5176.7134.100000114.1H221 K225H221-A223 VanDerWaalsContact C-N 3.32Å; H221-A223 PolarHBondContact O-N 3.47Å; A223-K225 PolarHBondContact O-N 2.96Å
224T64Low71.4Confident32 Ų3256.9 Ų56.920%0.19631%0.311CS..PPolyproline II helixtrans-58.8137.2140.745.30000108.6G205 S209 I226G205-T224 WeakPolarHBondContact O-CB 3.31Å; G205-T224 PolarHBondContact O-OG1 3.05Å; S209-T224 WeakPolarHBondContact OG-CG2 3.49Å; T224-I226 PolarHBondContact O-N 2.82Å
225K79.1Confident72.3Confident76 Ų7657 Ų5733%0.3331%0.312SS..BIsolated β-bridgetrans-65.3135.1170.6-73.2177.5170.31560108.1E141 T145 Y204 G205 A223E141-K225 HydrophobicContact CG-CD 4.49Å; E141-K225 WeakPolarHBondContact OE1-CD 3.29Å; E141-K225 WeakPolarHBondContact OE1-CE 3.32Å; E141-K225 IonicContact OE1-NZ 3.46Å; E141-K225 PolarHBondContact OE1-NZ 2.69Å; T145-K225 HydrophobicContact CG2-CD 3.36Å; T145-K225 PolarHBondContact OG1-NZ 2.87Å; Y204-K225 WeakPolarHBondContact CA-O 3.47Å; Y204-K225 HydrophobicContact CD1-CB 3.47Å; Y204-K225 VanDerWaalsContact CD1-CB 3.47Å; Y204-K225 WeakPolarHBondContact CD1-O 3.36Å; Y204-K225 HydrophobicContact CE1-CB 3.66Å; Y204-K225 HydrophobicContact CE1-CD 4.37Å; G205-K225 PolarHBondContact N-O 3.08Å; A223-K225 PolarHBondContact O-N 2.96Å
226I82.5Confident73.4Confident89 Ų8956.3 Ų56.346%0.45631%0.308SS..PPolyproline II helixtrans-65.8126.3171.9-62.3176.4000107.1T224 I322T224-I226 PolarHBondContact O-N 2.82Å; I226-I322 HydrophobicContact CG2-CD1 3.42Å; I226-I322 VanDerWaalsContact CG2-CD1 3.42Å
227P87.2Confident74.8Confident1 Ų153.7 Ų53.71%0.00629%0.292CS..PPolyproline II helixtrans-62.5135177.623.7-32.4000110.6Y204 F206 I232 W297Y204-P227 HydrophobicContact CD1-CB 4.49Å; Y204-P227 HydrophobicContact CG-CB 4.26Å; F206-P227 HydrophobicContact CE1-CG 4.21Å; F206-P227 HydrophobicContact CZ-CG 3.83Å; P227-I232 HydrophobicContact CB-CD1 4.08Å; P227-I232 HydrophobicContact CB-CG1 4.19Å; P227-I232 HydrophobicContact CG-CD1 3.92Å; P227-I232 HydrophobicContact CG-CG1 4.45Å; P227-W297 HydrophobicContact CB-CH2 4.1Å; P227-W297 HydrophobicContact CB-CZ3 4.48Å
228P89.2Confident76.7Confident28 Ų2848.7 Ų48.718%0.18227%0.271CS..PPolyproline II helixtrans-58.6134.6166.9-22.333.4000110T148 L152 Q230 I231T148-P228 HydrophobicContact CG2-CG 3.99Å; L152-P228 HydrophobicContact CD1-CB 3.74Å; L152-P228 HydrophobicContact CD1-CG 3.99Å; P228-Q230 PolarHBondContact O-N 3.21Å; P228-Q230 VanDerWaalsContact O-N 3.13Å; P228-I231 HydrophobicContact CB-CG1 4.21Å; P228-I231 HydrophobicContact CG-CG1 4.25Å; P228-I231 PolarHBondContact O-N 2.92Å
229P89.6Confident78.8Confident22 Ų2243.6 Ų43.614%0.14324%0.237CC..Hα-helixtrans-52.2-38.1178.2-26.132000113.3I231 I232 L233 L321 I322P229-I231 VanDerWaalsContact C-N 3.27Å; P229-I231 PolarHBondContact O-N 3.3Å; P229-I232 WeakPolarHBondContact O-CB 3.38Å; P229-I232 PolarHBondContact O-N 2.77Å; P229-I232 VanDerWaalsContact O-N 3.14Å; P229-L233 WeakPolarHBondContact O-CG 3.18Å; P229-L233 PolarHBondContact O-N 3.04Å; P229-L321 HydrophobicContact CB-CD2 3.87Å; P229-L321 HydrophobicContact CB-CG 4.05Å; P229-L321 HydrophobicContact CG-CD2 3.85Å; P229-L321 HydrophobicContact CG-CG 4.23Å; P229-I322 HydrophobicContact CG-CG1 3.85Å
230Q89.1Confident80.9Confident43 Ų4344.8 Ų44.820%0.20123%0.233CC..Hα-helixtrans-61.4-34.2-179.9-6779.53.200112.5L152 P228 L233 C234L152-Q230 HydrophobicContact CD2-CB 3.54Å; L152-Q230 HydrophobicContact CD2-CG 4.1Å; P228-Q230 PolarHBondContact O-N 3.21Å; P228-Q230 VanDerWaalsContact O-N 3.13Å; Q230-L233 PolarHBondContact O-N 2.92Å; Q230-C234 WeakPolarHBondContact O-CB 3.18Å; Q230-C234 PolarHBondContact O-N 3.42Å; Q230-C234 PolarHBondContact O-SG 3.23Å
231I92.5Very high82.9Confident4 Ų444.9 Ų44.92%0.02123%0.23CC..Hα-helixtrans-69-40.1177.2-69.4-69.3000110.7T148 L182 F196 V200 P228 P229 C234 I235 W297T148-I231 HydrophobicContact CG2-CD1 3.71Å; T148-I231 HydrophobicContact CG2-CG1 3.6Å; L182-I231 HydrophobicContact CD1-CD1 3.77Å; F196-I231 HydrophobicContact CE1-CD1 4.43Å; V200-I231 HydrophobicContact CG1-CG2 3.71Å; P228-I231 HydrophobicContact CB-CG1 4.21Å; P228-I231 HydrophobicContact CG-CG1 4.25Å; P228-I231 PolarHBondContact O-N 2.92Å; P229-I231 VanDerWaalsContact C-N 3.27Å; P229-I231 PolarHBondContact O-N 3.3Å; I231-C234 PolarHBondContact O-N 3.29Å; I231-I235 HydrophobicContact CG2-CD1 3.95Å; I231-I235 VanDerWaalsContact O-CG1 3.31Å; I231-I235 WeakPolarHBondContact O-CG1 3.35Å; I231-I235 PolarHBondContact O-N 3.19Å; I231-W297 HydrophobicContact CG2-CH2 4.48Å
232I93.2Very high84.8Confident0 Ų038.5 Ų38.50%020%0.201CC..Hα-helixtrans-63.1-45.7175.4-59.2159.3000109.9P227 P229 C234 I235 S236 W297 I322 C325 I326 L329P227-I232 HydrophobicContact CB-CD1 4.08Å; P227-I232 HydrophobicContact CB-CG1 4.19Å; P227-I232 HydrophobicContact CG-CD1 3.92Å; P227-I232 HydrophobicContact CG-CG1 4.45Å; P229-I232 WeakPolarHBondContact O-CB 3.38Å; P229-I232 PolarHBondContact O-N 2.77Å; P229-I232 VanDerWaalsContact O-N 3.14Å; I232-C234 PolarHBondContact O-N 2.93Å; I232-I235 PolarHBondContact O-N 2.91Å; I232-S236 PolarHBondContact O-N 2.77Å; I232-S236 PolarHBondContact O-OG 2.92Å; I232-W297 HydrophobicContact CG1-CZ3 3.98Å; I232-I322 HydrophobicContact CD1-CG2 4.09Å; I232-C325 HydrophobicContact CB-CB 3.96Å; I232-C325 HydrophobicContact CD1-CB 4.26Å; I232-C325 HydrophobicContact CG2-CB 3.59Å; I232-C325 WeakPolarHBondContact CG2-O 3.49Å; I232-I326 HydrophobicContact CD1-CD1 3.72Å; I232-I326 HydrophobicContact CD1-CG1 3.86Å; I232-I326 HydrophobicContact CG1-CD1 3.96Å; I232-I326 HydrophobicContact CG2-CD1 3.97Å; I232-I326 HydrophobicContact CG2-CG1 4.42Å; I232-L329 HydrophobicContact CG2-CB 4.01Å; I232-L329 HydrophobicContact CG2-CD2 4.08Å
233L92.2Very high86.6Confident36 Ų3633.7 Ų33.719%0.18818%0.177CC..Hα-helixtrans-60.8-42.1176.4-67.5173.1000112.4M170 P229 Q230 S236 H237 C325M170-L233 HydrophobicContact CE-CD1 4.5Å; P229-L233 WeakPolarHBondContact O-CG 3.18Å; P229-L233 PolarHBondContact O-N 3.04Å; Q230-L233 PolarHBondContact O-N 2.92Å; L233-S236 PolarHBondContact O-N 3.37Å; L233-H237 WeakPolarHBondContact O-CB 3.34Å; L233-H237 PolarHBondContact O-N 3.49Å; L233-C325 HydrophobicContact CD2-CB 4.46Å
234C92.4Very high87.9Confident3 Ų333.4 Ų33.42%0.0216%0.164CC..Hα-helixtrans-59.1-49175.4-71.10000111.3Y183 Q230 I231 I232 S236 H237 W238Y183-C234 HydrophobicContact CD1-CB 4.46Å; Y183-C234 HydrophobicContact CE1-CB 4.27Å; Y183-C234 VanDerWaalsContact CZ-SG 3.54Å; Q230-C234 WeakPolarHBondContact O-CB 3.18Å; Q230-C234 PolarHBondContact O-N 3.42Å; Q230-C234 PolarHBondContact O-SG 3.23Å; I231-C234 PolarHBondContact O-N 3.29Å; I232-C234 PolarHBondContact O-N 2.93Å; C234-S236 PolarHBondContact O-N 3.03Å; C234-H237 WeakPolarHBondContact O-CB 3.49Å; C234-H237 PolarHBondContact O-N 3.28Å; C234-W238 HydrophobicContact CB-CZ2 4.47Å; C234-W238 PolarHBondContact O-N 3.45Å
235I95Very high88.3Confident3 Ų335.5 Ų35.52%0.01518%0.18CC..Hα-helixtrans-62.8-45.5179.5-66.5165.4000110.9L197 V200 I231 I232 H237 W238 L239 L294 W297 L329L197-I235 HydrophobicContact CD1-CD1 3.66Å; L197-I235 HydrophobicContact CD1-CG1 4.01Å; L197-I235 HydrophobicContact CD1-CG2 4.1Å; V200-I235 HydrophobicContact CG1-CD1 3.98Å; I231-I235 HydrophobicContact CG2-CD1 3.95Å; I231-I235 VanDerWaalsContact O-CG1 3.31Å; I231-I235 WeakPolarHBondContact O-CG1 3.35Å; I231-I235 PolarHBondContact O-N 3.19Å; I232-I235 PolarHBondContact O-N 2.91Å; I235-H237 VanDerWaalsContact C-N 3.27Å; I235-H237 PolarHBondContact O-N 2.9Å; I235-W238 HydrophobicContact CG1-CE3 4.32Å; I235-W238 HydrophobicContact CG1-CZ3 4.34Å; I235-W238 WeakPolarHBondContact O-CB 3.36Å; I235-W238 PolarHBondContact O-N 2.97Å; I235-L239 HydrophobicContact CG2-CD1 4.39Å; I235-L239 WeakPolarHBondContact O-CG 3.43Å; I235-L239 PolarHBondContact O-N 2.66Å; I235-L294 HydrophobicContact CG2-CD2 3.75Å; I235-W297 HydrophobicContact CD1-CH2 4.25Å; I235-W297 HydrophobicContact CD1-CZ3 4.05Å; I235-L329 HydrophobicContact CB-CD1 4.49Å; I235-L329 HydrophobicContact CG2-CD1 3.77Å
236S94.3Very high87.4Confident7 Ų734.6 Ų34.65%0.04918%0.176CC..Hα-helixtrans-58.1-41.2175.2-65.30000111.7I232 L233 C234 L239 R240 L329I232-S236 PolarHBondContact O-N 2.77Å; I232-S236 PolarHBondContact O-OG 2.92Å; L233-S236 PolarHBondContact O-N 3.37Å; C234-S236 PolarHBondContact O-N 3.03Å; S236-L239 PolarHBondContact O-N 3.04Å; S236-R240 WeakPolarHBondContact O-CB 3.36Å; S236-R240 PolarHBondContact O-N 2.81Å; S236-L329 VanDerWaalsContact OG-CA 3.3Å; S236-L329 WeakPolarHBondContact OG-CA 3.38Å; S236-L329 WeakPolarHBondContact OG-CB 3.26Å
237H91.3Very high85.9Confident24 Ų2437 Ų3711%0.11119%0.185CC..Hα-helixtrans-64.8-43.4175.5-179.196.6000112D175 Y183 L233 C234 I235 L239 R240 L241D175-H237 IonicContact OD1-CE1 3.06Å; D175-H237 PolarHBondContact OD1-CE1 3.47Å; D175-H237 VanDerWaalsContact OD1-CE1 3.24Å; D175-H237 IonicContact OD1-ND1 3.16Å; D175-H237 PolarHBondContact OD1-ND1 3.43Å; D175-H237 IonicContact OD2-CE1 3.87Å; D175-H237 PolarHBondContact OD2-CE1 2.89Å; Y183-H237 HydrophobicContact CD1-CB 3.83Å; Y183-H237 AromaticContact CD1-CD2 3.64Å; Y183-H237 AromaticContact CD1-CG 3.66Å; Y183-H237 HydrophobicContact CE1-CB 3.81Å; L233-H237 WeakPolarHBondContact O-CB 3.34Å; L233-H237 PolarHBondContact O-N 3.49Å; C234-H237 WeakPolarHBondContact O-CB 3.49Å; C234-H237 PolarHBondContact O-N 3.28Å; I235-H237 VanDerWaalsContact C-N 3.27Å; I235-H237 PolarHBondContact O-N 2.9Å; H237-L239 VanDerWaalsContact C-N 3.34Å; H237-L239 PolarHBondContact O-N 3.43Å; H237-R240 PolarHBondContact O-N 3.12Å; H237-L241 WeakPolarHBondContact NE2-CD1 3.11Å; H237-L241 PolarHBondContact O-N 3.05Å
238W92.5Very high83.8Confident5 Ų544.2 Ų44.22%0.01922%0.218CC..Hα-helixtrans-59.1-45175.8-60.1-11.9000111.8L182 I185 P186 F196 C234 I235 S242 W258L182-W238 WeakPolarHBondContact O-CZ2 3.3Å; L182-W238 PolarHBondContact O-NE1 3.02Å; I185-W238 HydrophobicContact CB-CH2 4.47Å; I185-W238 HydrophobicContact CB-CZ2 3.99Å; I185-W238 HydrophobicContact CD1-CH2 4.46Å; I185-W238 HydrophobicContact CD1-CZ2 4.21Å; I185-W238 HydrophobicContact CG2-CH2 4.42Å; I185-W238 HydrophobicContact CG2-CZ2 4.41Å; P186-W238 HydrophobicContact CG-CB 3.99Å; P186-W238 HydrophobicContact CG-CD2 3.59Å; P186-W238 HydrophobicContact CG-CE3 4.23Å; P186-W238 HydrophobicContact CG-CG 3.44Å; P186-W238 VanDerWaalsContact CG-CG 3.44Å; F196-W238 AromaticContact CD1-CH2 3.99Å; F196-W238 HydrophobicContact CD1-CH2 3.99Å; C234-W238 HydrophobicContact CB-CZ2 4.47Å; C234-W238 PolarHBondContact O-N 3.45Å; I235-W238 HydrophobicContact CG1-CE3 4.32Å; I235-W238 HydrophobicContact CG1-CZ3 4.34Å; I235-W238 WeakPolarHBondContact O-CB 3.36Å; I235-W238 PolarHBondContact O-N 2.97Å; W238-S242 VanDerWaalsContact O-CB 3.31Å; W238-S242 WeakPolarHBondContact O-CB 3.22Å; W238-S242 PolarHBondContact O-N 3.29Å; W238-S242 PolarHBondContact O-OG 3.03Å; W238-W258 HydrophobicContact CB-CZ2 4.02Å
239L92.5Very high81.5Confident0 Ų048.4 Ų48.40%024%0.236CC..Hα-helixtrans-59.4-50175.9-70173.4000111I235 S236 H237 S242 R243 W258 L294 L329 E332 F358 W361I235-L239 HydrophobicContact CG2-CD1 4.39Å; I235-L239 WeakPolarHBondContact O-CG 3.43Å; I235-L239 PolarHBondContact O-N 2.66Å; S236-L239 PolarHBondContact O-N 3.04Å; H237-L239 VanDerWaalsContact C-N 3.34Å; H237-L239 PolarHBondContact O-N 3.43Å; L239-S242 PolarHBondContact O-N 2.88Å; L239-R243 WeakPolarHBondContact O-CB 3.27Å; L239-R243 PolarHBondContact O-N 2.81Å; L239-W258 HydrophobicContact CD2-CH2 3.67Å; L239-W258 HydrophobicContact CD2-CZ2 3.94Å; L239-W258 HydrophobicContact CG-CH2 4.42Å; L239-L294 HydrophobicContact CD1-CD1 4.22Å; L239-L294 HydrophobicContact CD2-CD1 4.31Å; L239-L329 HydrophobicContact CD1-CD1 3.63Å; L239-E332 HydrophobicContact CB-CG 3.77Å; L239-F358 HydrophobicContact CD2-CE1 3.79Å; L239-F358 HydrophobicContact CD2-CZ 3.78Å; L239-W361 HydrophobicContact CD2-CH2 3.64Å; L239-W361 HydrophobicContact CD2-CZ3 4.15Å
240R89.8Confident79Confident110 Ų11053.7 Ų53.742%0.41527%0.27SS..Hα-helixtrans-59.8-48.5180-175.4175.7-65.9165.52.3112.7S236 H237 S242 R243 I244 E332S236-R240 WeakPolarHBondContact O-CB 3.36Å; S236-R240 PolarHBondContact O-N 2.81Å; H237-R240 PolarHBondContact O-N 3.12Å; R240-S242 VanDerWaalsContact C-N 3.32Å; R240-S242 PolarHBondContact O-N 3.45Å; R240-R243 WeakPolarHBondContact O-CB 3.3Å; R240-R243 PolarHBondContact O-N 3.39Å; R240-I244 HydrophobicContact CG-CD1 3.63Å; R240-I244 HydrophobicContact CG-CG1 4.39Å; R240-I244 WeakPolarHBondContact O-CG1 3.39Å; R240-I244 PolarHBondContact O-N 3.46Å; R240-E332 WeakPolarHBondContact CA-OE1 3.24Å; R240-E332 HydrophobicContact CB-CG 4.21Å; R240-E332 IonicContact CZ-OE2 3.9Å; R240-E332 IonicContact NE-OE2 2.77Å; R240-E332 PolarHBondContact NE-OE2 3.35Å; R240-E332 IonicContact NH2-OE2 2.99Å; R240-E332 PolarHBondContact NH2-OE2 2.96Å
241L86.6Confident76.7Confident88 Ų8855.5 Ų55.546%0.46130%0.3SS..Hα-helixtrans-62.3-40.9177.5-75.1-169.6000112H237 R243 I244 S245H237-L241 WeakPolarHBondContact NE2-CD1 3.11Å; H237-L241 PolarHBondContact O-N 3.05Å; L241-R243 PolarHBondContact O-N 3.29Å; L241-I244 PolarHBondContact O-N 2.94Å; L241-S245 VanDerWaalsContact O-CB 3.22Å; L241-S245 WeakPolarHBondContact O-CB 3.22Å; L241-S245 PolarHBondContact O-N 3.24Å; L241-S245 PolarHBondContact O-OG 3.17Å
242S86.9Confident74.1Confident13 Ų1358.9 Ų58.99%0.09132%0.321CS..Hα-helixtrans-67.5-29.1178.7-53.30000112.1W238 L239 R240 S245 K246 W258W238-S242 VanDerWaalsContact O-CB 3.31Å; W238-S242 WeakPolarHBondContact O-CB 3.22Å; W238-S242 PolarHBondContact O-N 3.29Å; W238-S242 PolarHBondContact O-OG 3.03Å; L239-S242 PolarHBondContact O-N 2.88Å; R240-S242 VanDerWaalsContact C-N 3.32Å; R240-S242 PolarHBondContact O-N 3.45Å; S242-S245 PolarHBondContact O-OG 2.99Å; S242-K246 WeakPolarHBondContact O-CE 3.12Å; S242-W258 PolarHBondContact OG-NE1 3.25Å
243R84.8Confident71.5Confident48 Ų4866 Ų6618%0.18136%0.359CS..Hα-helixtrans-74.9-48172.8-172.417360.774.23.4112L239 R240 L241 K246 E332 Q335 E339 F358L239-R243 WeakPolarHBondContact O-CB 3.27Å; L239-R243 PolarHBondContact O-N 2.81Å; R240-R243 WeakPolarHBondContact O-CB 3.3Å; R240-R243 PolarHBondContact O-N 3.39Å; L241-R243 PolarHBondContact O-N 3.29Å; R243-K246 WeakPolarHBondContact O-CB 3.49Å; R243-K246 WeakPolarHBondContact O-CD 3.48Å; R243-K246 WeakPolarHBondContact O-CG 3.46Å; R243-E332 IonicContact CZ-OE1 3.31Å; R243-E332 VanDerWaalsContact CZ-OE1 3.26Å; R243-E332 IonicContact NE-OE1 2.64Å; R243-E332 PolarHBondContact NE-OE1 3.32Å; R243-E332 IonicContact NH2-OE1 3.81Å; R243-E332 PolarHBondContact NH2-OE1 3.41Å; R243-E332 IonicContact NH2-OE2 3.97Å; R243-Q335 VanDerWaalsContact NE-OE1 3.14Å; R243-E339 WeakPolarHBondContact CG-OE1 3.28Å; R243-F358 HydrophobicContact CB-CE2 4.19Å
244I81.1Confident69.2Low69 Ų6969 Ų6935%0.35438%0.383SS..Hα-helixtrans-74-36.9-175-64.3170.3000112.4R240 L241 K246 H247R240-I244 HydrophobicContact CG-CD1 3.63Å; R240-I244 HydrophobicContact CG-CG1 4.39Å; R240-I244 WeakPolarHBondContact O-CG1 3.39Å; R240-I244 PolarHBondContact O-N 3.46Å; L241-I244 PolarHBondContact O-N 2.94Å; I244-K246 PolarHBondContact O-N 3.36Å; I244-H247 PolarHBondContact O-N 3.32Å
245S72.4Confident67Low76 Ų7675.9 Ų75.953%0.53142%0.419SS..G310 helixtrans-55.2-25179.152.70000113.3L241 S242 H247 H248L241-S245 VanDerWaalsContact O-CB 3.22Å; L241-S245 WeakPolarHBondContact O-CB 3.22Å; L241-S245 PolarHBondContact O-N 3.24Å; L241-S245 PolarHBondContact O-OG 3.17Å; S242-S245 PolarHBondContact O-OG 2.99Å; S245-H247 VanDerWaalsContact C-N 3.27Å; S245-H247 PolarHBondContact O-N 2.71Å; S245-H248 PolarHBondContact O-N 3.19Å
246K60.7Low65.5Low57 Ų5779.2 Ų79.225%0.24844%0.442CS..G310 helixtrans-57.9-33.3171.9-61.3177-177.6175.40114S242 R243 I244 H248 E339 F358S242-K246 WeakPolarHBondContact O-CE 3.12Å; R243-K246 WeakPolarHBondContact O-CB 3.49Å; R243-K246 WeakPolarHBondContact O-CD 3.48Å; R243-K246 WeakPolarHBondContact O-CG 3.46Å; I244-K246 PolarHBondContact O-N 3.36Å; K246-H248 VanDerWaalsContact C-N 3.29Å; K246-H248 PolarHBondContact O-N 2.86Å; K246-E339 IonicContact NZ-OE1 2.63Å; K246-E339 PolarHBondContact NZ-OE1 3.06Å; K246-E339 IonicContact NZ-OE2 2.84Å; K246-E339 PolarHBondContact NZ-OE2 3Å; K246-F358 VanDerWaalsContact NZ-CD2 3.28Å
247H50.4Low64.9Low141 Ų14180.2 Ų80.265%0.65345%0.449SS*.G310 helixtrans-76.2-14.1-172.4-74.2-60.8000113.8I244 S245I244-H247 PolarHBondContact O-N 3.32Å; S245-H247 VanDerWaalsContact C-N 3.27Å; S245-H247 PolarHBondContact O-N 2.71Å
248H43.4Very low64.7Low152 Ų15279.3 Ų79.370%0.70445%0.445SS*.SBendtrans-123.42.8-166-72.9-53.8000117.1S245 K246S245-H248 PolarHBondContact O-N 3.19Å; K246-H248 VanDerWaalsContact C-N 3.29Å; K246-H248 PolarHBondContact O-N 2.86Å
249Q39.9Very low64.4Low116 Ų11679.3 Ų79.354%0.54245%0.446SS..  trans-131.289.9178.2-70.3-161.1-18.400114.6T252Q249-T252 WeakPolarHBondContact CB-OG1 3.23Å; Q249-T252 PolarHBondContact OE1-OG1 2.88Å
250P37.5Very low64.1Low132 Ų13281.9 Ų81.986%0.85746%0.464SS*.SBendtrans-77.5112.3154.829.2-25.4000109.4
251G41.7Very low63.9Low81 Ų8178.3 Ų78.384%0.83545%0.452SS*.SBendtrans103.44.3160.400000118.4
252T37.7Very low63.8Low75 Ų7578.2 Ų78.246%0.4645%0.452SS..SBendtrans-88.2140.2167.447.20000109.8Q249 S254Q249-T252 WeakPolarHBondContact CB-OG1 3.23Å; Q249-T252 PolarHBondContact OE1-OG1 2.88Å; T252-S254 PolarHBondContact O-N 3.38Å
253N38.3Very low63.9Low150 Ų15077.8 Ų77.880%0.80245%0.448SS*.  trans-43.2136.3177.8-73.9-23.4000110.6L255N253-L255 PolarHBondContact O-N 2.89Å
254S44.2Very low63.8Low98 Ų9876.2 Ų76.269%0.68545%0.445SS*.  trans-56.989.3171.857.90000108.9T252 S256T252-S254 PolarHBondContact O-N 3.38Å; S254-S256 PolarHBondContact O-N 3.39Å; S254-S256 VanDerWaalsContact O-N 3.07Å
255L46.7Very low63.8Low148 Ų14875 Ų7578%0.77544%0.443SS*.  trans-49.6120155.6-82.2145.5000104.6N253 S257N253-L255 PolarHBondContact O-N 2.89Å; L255-S257 PolarHBondContact O-N 3.36Å
256S62.5Low64.3Low74 Ų7472.8 Ų72.852%0.51743%0.425SS..  trans-50111.7179.548.80000107.9P190 S254P190-S256 WeakPolarHBondContact CB-O 3.17Å; P190-S256 WeakPolarHBondContact CG-O 3.37Å; S254-S256 PolarHBondContact O-N 3.39Å; S254-S256 VanDerWaalsContact O-N 3.07Å
257S81.2Confident65.2Low27 Ų2770.3 Ų70.319%0.18942%0.416CS..  trans-74.6138.8178-175.50000108.4L255 T259 S260L255-S257 PolarHBondContact O-N 3.36Å; S257-T259 WeakPolarHBondContact CB-OG1 3.46Å; S257-T259 PolarHBondContact O-N 3.27Å; S257-T259 PolarHBondContact OG-OG1 3.24Å; S257-S260 PolarHBondContact O-N 3.23Å; S257-S260 PolarHBondContact O-OG 3.26Å
258W87.9Confident66.4Low5 Ų570.3 Ų70.32%0.01941%0.41CS..G310 helixtrans-59.9-21176.865.4-86.2000112.1P186 P190 A193 D194 L197 W238 L239 S242 S260 I261 W361P186-W258 HydrophobicContact CB-CG 4.33Å; P190-W258 HydrophobicContact CB-CB 3.98Å; P190-W258 WeakPolarHBondContact O-CA 3.31Å; P190-W258 WeakPolarHBondContact O-CB 3.5Å; A193-W258 HydrophobicContact CB-CB 3.75Å; A193-W258 HydrophobicContact CB-CG 4.12Å; D194-W258 WeakPolarHBondContact CB-O 3.26Å; L197-W258 HydrophobicContact CD2-CH2 4.15Å; L197-W258 HydrophobicContact CD2-CZ3 3.56Å; W238-W258 HydrophobicContact CB-CZ2 4.02Å; L239-W258 HydrophobicContact CD2-CH2 3.67Å; L239-W258 HydrophobicContact CD2-CZ2 3.94Å; L239-W258 HydrophobicContact CG-CH2 4.42Å; S242-W258 PolarHBondContact OG-NE1 3.25Å; W258-S260 VanDerWaalsContact C-N 3.3Å; W258-S260 PolarHBondContact O-N 2.92Å; W258-I261 WeakPolarHBondContact O-CG1 3.36Å; W258-W361 HydrophobicContact CH2-CH2 4.17Å; W258-W361 HydrophobicContact CH2-CZ2 4.06Å; W258-W361 HydrophobicContact CZ3-CH2 4.46Å; W258-W361 AromaticContact CZ3-CZ2 3.96Å; W258-W361 HydrophobicContact CZ3-CZ2 3.96Å
259T87.2Confident67.7Low6 Ų670.9 Ų70.94%0.03741%0.406CS..G310 helixtrans-80.7-7.317960.10000114.2S257 G357 F358 T360 W361S257-T259 WeakPolarHBondContact CB-OG1 3.46Å; S257-T259 PolarHBondContact O-N 3.27Å; S257-T259 PolarHBondContact OG-OG1 3.24Å; T259-G357 WeakPolarHBondContact CB-O 3.41Å; T259-G357 VanDerWaalsContact CG2-O 3.22Å; T259-G357 WeakPolarHBondContact CG2-O 3.2Å; T259-G357 WeakPolarHBondContact OG1-CA 3.41Å; T259-G357 PolarHBondContact OG1-O 2.85Å; T259-F358 HydrophobicContact CG2-CD1 3.75Å; T259-F358 HydrophobicContact CG2-CE1 3.28Å; T259-F358 HydrophobicContact CG2-CZ 3.83Å; T259-T360 PolarHBondContact O-OG1 3.4Å; T259-W361 HydrophobicContact CG2-CZ2 4.1Å; T259-W361 PolarHBondContact O-NE1 3Å
260S84.5Confident69.2Low54 Ų5466 Ų6638%0.37838%0.383SS..G310 helixtrans-133.634.1-174.664.80000112.6S257 W258 D262S257-S260 PolarHBondContact O-N 3.23Å; S257-S260 PolarHBondContact O-OG 3.26Å; W258-S260 VanDerWaalsContact C-N 3.3Å; W258-S260 PolarHBondContact O-N 2.92Å; S260-D262 PolarHBondContact O-N 3.45Å
261I87Confident70.6Confident35 Ų3566.9 Ų66.918%0.17937%0.373CS..  trans-73.5121178.2-54.9-62.2000110.1P190 A191 D194 W258 W263P190-I261 HydrophobicContact CB-CD1 4.11Å; A191-I261 HydrophobicContact CB-CD1 4.4Å; D194-I261 HydrophobicContact CB-CG1 4.22Å; W258-I261 WeakPolarHBondContact O-CG1 3.36Å; I261-W263 HydrophobicContact CG2-CD2 3.78Å; I261-W263 HydrophobicContact CG2-CE3 4.35Å; I261-W263 HydrophobicContact CG2-CG 4.07Å; I261-W263 HydrophobicContact CG2-CZ2 3.97Å; I261-W263 PolarHBondContact O-N 2.99Å
262D84.6Confident71.7Confident85 Ų8567 Ų6746%0.45535%0.351SS..  trans-85.888.1169.8-177.7-6.8000109.2S260 P264 S265 T266S260-D262 PolarHBondContact O-N 3.45Å; D262-P264 VanDerWaalsContact OD1-CD 3.29Å; D262-P264 WeakPolarHBondContact OD1-CD 3.39Å; D262-S265 PolarHBondContact O-N 3.02Å; D262-S265 PolarHBondContact OD1-N 2.88Å; D262-S265 PolarHBondContact OD1-OG 3.17Å; D262-S265 WeakPolarHBondContact OD2-CB 2.75Å; D262-S265 PolarHBondContact OD2-OG 2.86Å; D262-T266 WeakPolarHBondContact O-CB 3.09Å; D262-T266 PolarHBondContact O-N 3.2Å; D262-T266 PolarHBondContact O-OG1 2.98Å
263W87.1Confident72.8Confident4 Ų464.3 Ų64.32%0.01533%0.333CS..Hα-helixtrans-61-44.4-179.3-74.1106.4000114L111 K114 A191 D194 A195 I261 S265 T266 A267 L284L111-W263 HydrophobicContact CD1-CE3 4.36Å; L111-W263 HydrophobicContact CD1-CZ3 4.34Å; K114-W263 HydrophobicContact CB-CD2 4.37Å; K114-W263 HydrophobicContact CB-CE3 4.05Å; K114-W263 HydrophobicContact CB-CH2 3.92Å; K114-W263 HydrophobicContact CB-CZ2 4.24Å; K114-W263 HydrophobicContact CB-CZ3 3.81Å; K114-W263 HydrophobicContact CD-CD2 4.01Å; K114-W263 HydrophobicContact CD-CE3 4.49Å; K114-W263 HydrophobicContact CD-CH2 4.16Å; K114-W263 HydrophobicContact CD-CZ2 3.62Å; K114-W263 VanDerWaalsContact CE-NE1 3.25Å; K114-W263 HydrophobicContact CG-CD2 3.62Å; K114-W263 HydrophobicContact CG-CE3 3.77Å; K114-W263 HydrophobicContact CG-CG 4.17Å; K114-W263 HydrophobicContact CG-CH2 4.07Å; K114-W263 HydrophobicContact CG-CZ2 3.93Å; K114-W263 HydrophobicContact CG-CZ3 3.99Å; A191-W263 HydrophobicContact CB-CH2 4.11Å; A191-W263 WeakPolarHBondContact O-CH2 3.49Å; A191-W263 WeakPolarHBondContact O-CZ2 3.4Å; D194-W263 HydrophobicContact CB-CZ2 4.29Å; D194-W263 PolarHBondContact OD2-NE1 3.44Å; A195-W263 HydrophobicContact CB-CH2 3.89Å; A195-W263 HydrophobicContact CB-CZ2 3.98Å; I261-W263 HydrophobicContact CG2-CD2 3.78Å; I261-W263 HydrophobicContact CG2-CE3 4.35Å; I261-W263 HydrophobicContact CG2-CG 4.07Å; I261-W263 HydrophobicContact CG2-CZ2 3.97Å; I261-W263 PolarHBondContact O-N 2.99Å; W263-S265 PolarHBondContact O-N 2.96Å; W263-T266 HydrophobicContact CE3-CG2 4.32Å; W263-T266 HydrophobicContact CZ3-CG2 4.43Å; W263-T266 CarbonylContact O-C 3.59Å; W263-T266 WeakPolarHBondContact O-CB 3.42Å; W263-T266 PolarHBondContact O-N 3.5Å; W263-A267 WeakPolarHBondContact O-CB 2.95Å; W263-A267 PolarHBondContact O-N 3.27Å; W263-L284 HydrophobicContact CB-CB 4.37Å; W263-L284 HydrophobicContact CB-CD1 4.27Å; W263-L284 HydrophobicContact CB-CD2 4.35Å
264P83.6Confident73.4Confident16 Ų1661.1 Ų61.110%0.10432%0.323CS..Hα-helixtrans-55-48.9172.7-27.434.3000112.8D262 T266 A267 R268 M285D262-P264 VanDerWaalsContact OD1-CD 3.29Å; D262-P264 WeakPolarHBondContact OD1-CD 3.39Å; P264-T266 VanDerWaalsContact C-N 3.31Å; P264-T266 PolarHBondContact O-N 3.08Å; P264-A267 PolarHBondContact O-N 3.45Å; P264-R268 WeakPolarHBondContact O-CG 3.45Å; P264-R268 PolarHBondContact O-N 3.16Å; P264-M285 HydrophobicContact CB-CE 4.01Å; P264-M285 HydrophobicContact CG-CE 3.4Å; P264-M285 VanDerWaalsContact CG-CE 3.4Å; P264-M285 HydrophobicContact CG-SD 4.22Å
265S82.1Confident73.7Confident44 Ų4457.5 Ų57.531%0.30830%0.295SS..Hα-helixtrans-66.3-34.7177.2-660000112.7D262 W263D262-S265 PolarHBondContact O-N 3.02Å; D262-S265 PolarHBondContact OD1-N 2.88Å; D262-S265 PolarHBondContact OD1-OG 3.17Å; D262-S265 WeakPolarHBondContact OD2-CB 2.75Å; D262-S265 PolarHBondContact OD2-OG 2.86Å; W263-S265 PolarHBondContact O-N 2.96Å
266T82.3Confident73.8Confident28 Ų2856 Ų5617%0.17229%0.294CS..Hα-helixtrans-61.5-49.4173.6-59.80000109.9D262 W263 P264 R268 R269 Y270D262-T266 WeakPolarHBondContact O-CB 3.09Å; D262-T266 PolarHBondContact O-N 3.2Å; D262-T266 PolarHBondContact O-OG1 2.98Å; W263-T266 HydrophobicContact CE3-CG2 4.32Å; W263-T266 HydrophobicContact CZ3-CG2 4.43Å; W263-T266 CarbonylContact O-C 3.59Å; W263-T266 WeakPolarHBondContact O-CB 3.42Å; W263-T266 PolarHBondContact O-N 3.5Å; P264-T266 VanDerWaalsContact C-N 3.31Å; P264-T266 PolarHBondContact O-N 3.08Å; T266-R268 PolarHBondContact O-N 3.07Å; T266-R269 VanDerWaalsContact O-CB 3.32Å; T266-R269 WeakPolarHBondContact O-CB 3.4Å; T266-R269 PolarHBondContact O-N 3.32Å; T266-Y270 HydrophobicContact CG2-CE2 3.81Å; T266-Y270 WeakPolarHBondContact O-CD2 3.49Å; T266-Y270 WeakPolarHBondContact O-CE2 3.43Å
267A80.5Confident73.2Confident5 Ų559.8 Ų59.84%0.04130%0.297CS..Hα-helixtrans-68.3-32.9-179.200000114.6L111 W263 P264 R269 Y270 V280 L284L111-A267 HydrophobicContact CD1-CB 4.26Å; W263-A267 WeakPolarHBondContact O-CB 2.95Å; W263-A267 PolarHBondContact O-N 3.27Å; P264-A267 PolarHBondContact O-N 3.45Å; A267-R269 PolarHBondContact O-N 2.98Å; A267-Y270 CarbonylContact O-C 3.41Å; A267-Y270 WeakPolarHBondContact O-CA 3.17Å; A267-Y270 PolarHBondContact O-N 2.99Å; A267-V280 HydrophobicContact CB-CG1 3.69Å; A267-L284 HydrophobicContact CB-CD1 3.2Å
268R75.6Confident72Confident142 Ų14260.9 Ų60.954%0.53630%0.298SS..Hα-helixtrans-60.7-24.4173.5-75.7179.7-160.6140.35113.6P264 T266 Y270 D281P264-R268 WeakPolarHBondContact O-CG 3.45Å; P264-R268 PolarHBondContact O-N 3.16Å; T266-R268 PolarHBondContact O-N 3.07Å; R268-Y270 PolarHBondContact O-N 3.33Å; R268-D281 IonicContact CZ-OD2 3.25Å; R268-D281 IonicContact NE-OD1 3.37Å; R268-D281 IonicContact NE-OD2 3.05Å; R268-D281 PolarHBondContact NE-OD2 3.5Å; R268-D281 IonicContact NH2-OD2 2.68Å; R268-D281 PolarHBondContact NH2-OD2 3.19Å; R268-D281 VanDerWaalsContact NH2-OD2 3.16Å
269R69.5Low71Confident164 Ų16463.5 Ų63.562%0.61932%0.317SS*.THydrogen-bonded Turntrans-64.5-16.9170.7-60.4-178.5-174.9-176.11111.9T266 A267T266-R269 VanDerWaalsContact O-CB 3.32Å; T266-R269 WeakPolarHBondContact O-CB 3.4Å; T266-R269 PolarHBondContact O-N 3.32Å; A267-R269 PolarHBondContact O-N 2.98Å
270Y71.4Confident70.1Confident14 Ų1463.7 Ų63.76%0.05532%0.319CS..  trans-125.176.3-169.5-42.7-54.5000110.8Y69 L111 T266 A267 R268 F272 L273Y69-Y270 AromaticContact CD1-CD1 3.54Å; Y69-Y270 HydrophobicContact CD1-CD1 3.54Å; Y69-Y270 HydrophobicContact CD1-CD2 4.3Å; Y69-Y270 AromaticContact CD1-CE1 3.93Å; Y69-Y270 HydrophobicContact CD1-CE1 3.93Å; Y69-Y270 AromaticContact CD1-CG 3.76Å; Y69-Y270 HydrophobicContact CD1-CG 3.76Å; Y69-Y270 AromaticContact CD2-CD1 3.32Å; Y69-Y270 HydrophobicContact CD2-CD1 3.32Å; Y69-Y270 AromaticContact CD2-CE1 3.54Å; Y69-Y270 HydrophobicContact CD2-CE1 3.54Å; Y69-Y270 HydrophobicContact CD2-CG 4.3Å; Y69-Y270 AromaticContact CE1-CD1 3.48Å; Y69-Y270 HydrophobicContact CE1-CD1 3.48Å; Y69-Y270 VanDerWaalsContact CE1-CD1 3.48Å; Y69-Y270 AromaticContact CE1-CD2 4Å; Y69-Y270 HydrophobicContact CE1-CD2 4Å; Y69-Y270 AromaticContact CE1-CE1 3.35Å; Y69-Y270 HydrophobicContact CE1-CE1 3.35Å; Y69-Y270 AromaticContact CE1-CE2 3.77Å; Y69-Y270 HydrophobicContact CE1-CE2 3.77Å; Y69-Y270 AromaticContact CE1-CG 3.81Å; Y69-Y270 HydrophobicContact CE1-CG 3.81Å; Y69-Y270 AromaticContact CE1-CZ 3.46Å; Y69-Y270 VanDerWaalsContact CE1-CZ 3.46Å; Y69-Y270 AromaticContact CE2-CD1 3.38Å; Y69-Y270 HydrophobicContact CE2-CD1 3.38Å; Y69-Y270 AromaticContact CE2-CE1 3.02Å; Y69-Y270 HydrophobicContact CE2-CE1 3.02Å; Y69-Y270 HydrophobicContact CE2-CG 4.47Å; Y69-Y270 AromaticContact CE2-CZ 3.83Å; Y69-Y270 AromaticContact CG-CD1 3.49Å; Y69-Y270 HydrophobicContact CG-CD1 3.49Å; Y69-Y270 VanDerWaalsContact CG-CD1 3.49Å; Y69-Y270 HydrophobicContact CG-CE1 4.03Å; Y69-Y270 HydrophobicContact CG-CG 4.04Å; Y69-Y270 AromaticContact CZ-CD1 3.47Å; Y69-Y270 VanDerWaalsContact CZ-CD1 3.47Å; Y69-Y270 AromaticContact CZ-CE1 2.92Å; Y69-Y270 AromaticContact CZ-CZ 3.2Å; Y69-Y270 VanDerWaalsContact OH-CE1 3.31Å; Y69-Y270 WeakPolarHBondContact OH-CE1 3.29Å; Y69-Y270 PolarHBondContact OH-OH 3.26Å; L111-Y270 HydrophobicContact CD2-CD2 3.08Å; L111-Y270 HydrophobicContact CD2-CE2 3.56Å; L111-Y270 HydrophobicContact CD2-CG 3.84Å; L111-Y270 HydrophobicContact CG-CD2 4.45Å; T266-Y270 HydrophobicContact CG2-CE2 3.81Å; T266-Y270 WeakPolarHBondContact O-CD2 3.49Å; T266-Y270 WeakPolarHBondContact O-CE2 3.43Å; A267-Y270 CarbonylContact O-C 3.41Å; A267-Y270 WeakPolarHBondContact O-CA 3.17Å; A267-Y270 PolarHBondContact O-N 2.99Å; R268-Y270 PolarHBondContact O-N 3.33Å; Y270-F272 PolarHBondContact O-N 3.12Å; Y270-L273 PolarHBondContact O-N 2.74Å
271K67.8Low69.3Low150 Ų15063 Ų6365%0.65231%0.311SS*.THydrogen-bonded Turntrans-57.1-21.8-173.6-63.4173.8-176165.60115L273K271-L273 VanDerWaalsContact C-N 3.34Å
272F65.3Low68.6Low83 Ų8366.7 Ų66.736%0.36433%0.327SS..THydrogen-bonded Turntrans-85.7-7.4-172.8-54.7-78.6000114.1D66 R70 Y270 S274D66-F272 HydrophobicContact CB-CE2 3.67Å; D66-F272 HydrophobicContact CB-CZ 4.36Å; R70-F272 VanDerWaalsContact CD-CD1 3.4Å; R70-F272 HydrophobicContact CG-CB 3.68Å; R70-F272 HydrophobicContact CG-CD1 3.57Å; R70-F272 HydrophobicContact CG-CD2 3.26Å; R70-F272 HydrophobicContact CG-CE1 4.01Å; R70-F272 HydrophobicContact CG-CE2 3.75Å; R70-F272 HydrophobicContact CG-CG 3.16Å; R70-F272 HydrophobicContact CG-CZ 4.1Å; Y270-F272 PolarHBondContact O-N 3.12Å; F272-S274 PolarHBondContact O-N 3.33Å
273L59.6Low68.2Low18 Ų1862.8 Ų62.89%0.09431%0.306CS..  trans-79.563.7160.5-65.6170.9000107.7F73 A78 L111 V115 Y270 K271 V280F73-L273 HydrophobicContact CD1-CD2 4.1Å; F73-L273 HydrophobicContact CD2-CD2 3.74Å; F73-L273 HydrophobicContact CD2-CG 4.03Å; F73-L273 HydrophobicContact CE1-CD2 4.03Å; F73-L273 HydrophobicContact CE2-CD1 3.73Å; F73-L273 HydrophobicContact CE2-CD2 3.65Å; F73-L273 HydrophobicContact CE2-CG 3.68Å; F73-L273 HydrophobicContact CG-CD2 3.99Å; F73-L273 HydrophobicContact CZ-CD1 3.86Å; F73-L273 HydrophobicContact CZ-CD2 3.83Å; F73-L273 HydrophobicContact CZ-CG 4.14Å; A78-L273 HydrophobicContact CB-CD2 4.17Å; L111-L273 HydrophobicContact CD1-CD1 4.06Å; L111-L273 HydrophobicContact CD2-CD1 3.31Å; L111-L273 HydrophobicContact CG-CD1 3.59Å; V115-L273 HydrophobicContact CG2-CD1 4.3Å; Y270-L273 PolarHBondContact O-N 2.74Å; K271-L273 VanDerWaalsContact C-N 3.34Å; L273-V280 HydrophobicContact CB-CB 4.34Å; L273-V280 HydrophobicContact CB-CG1 4.35Å; L273-V280 HydrophobicContact CB-CG2 3.89Å; L273-V280 WeakPolarHBondContact O-CB 3.37Å; L273-V280 WeakPolarHBondContact O-CG2 3.47Å
274S50.7Low67.8Low83 Ų8362.8 Ų62.858%0.5831%0.306SS*.BIsolated β-bridgetrans-104100.4173.358.60000107.5F272F272-S274 PolarHBondContact O-N 3.33Å
275H50.6Low67.4Low22 Ų2266.9 Ų66.910%0.10233%0.326CS..  trans-70.1135166.6-165.663.8000107.9P133 R277 F278 I283P133-H275 WeakPolarHBondContact CG-CE1 3.43Å; H275-R277 PolarHBondContact O-N 3.25Å; H275-F278 WeakPolarHBondContact CB-O 3.2Å; H275-F278 VanDerWaalsContact O-O 3.09Å; H275-I283 HydrophobicContact CB-CD1 4.11Å
276P48.7Very low67.2Low116 Ų11665.8 Ų65.875%0.75332%0.318SS*.SBendtrans-59.5-13.8-173.717.3-31.4000115.2
277R49.9Very low67.3Low154 Ų15465.4 Ų65.458%0.58131%0.314SS*.SBendtrans-124.5-23.1-175.1-65.1-172.4-179.2140.7-2.1116Y131 H275Y131-R277 VanDerWaalsContact CD1-NH1 3.31Å; Y131-R277 PolarHBondContact O-NH1 2.97Å; H275-R277 PolarHBondContact O-N 3.25Å
278F56.1Low67.3Low50 Ų5065.3 Ų65.322%0.21931%0.313CS..SBendtrans-128.6136.4177.9-64.9-75.9000108.4L132 H275 I283L132-F278 HydrophobicContact CD1-CE2 4.4Å; L132-F278 HydrophobicContact CD2-CE2 4.29Å; L132-F278 HydrophobicContact CG-CE2 4.02Å; H275-F278 WeakPolarHBondContact CB-O 3.2Å; H275-F278 VanDerWaalsContact O-O 3.09Å; F278-I283 HydrophobicContact CB-CD1 4.2Å; F278-I283 HydrophobicContact CB-CG1 4.04Å
279S67.3Low67.9Low60 Ų6059.1 Ų59.142%0.4229%0.291SS..BIsolated β-bridgetrans-64.1144.7165.964.90000108.1D281 Q282 I283S279-D281 PolarHBondContact O-N 2.98Å; S279-D281 VanDerWaalsContact O-N 3.16Å; S279-Q282 WeakPolarHBondContact O-CB 3.24Å; S279-Q282 PolarHBondContact O-N 3.43Å; S279-Q282 WeakPolarHBondContact OG-CG 3.39Å; S279-Q282 PolarHBondContact OG-N 3.5Å; S279-I283 PolarHBondContact O-N 3.13Å
280V68.1Low68.9Low11 Ų1152 Ų527%0.06727%0.266CS..Hα-helixtrans-62-23.8175.4161.20000112V115 A267 L273 Q282 I283 L284V115-V280 HydrophobicContact CG2-CG1 4.21Å; A267-V280 HydrophobicContact CB-CG1 3.69Å; L273-V280 HydrophobicContact CB-CB 4.34Å; L273-V280 HydrophobicContact CB-CG1 4.35Å; L273-V280 HydrophobicContact CB-CG2 3.89Å; L273-V280 WeakPolarHBondContact O-CB 3.37Å; L273-V280 WeakPolarHBondContact O-CG2 3.47Å; V280-Q282 PolarHBondContact O-N 2.65Å; V280-I283 HydrophobicContact CG2-CD1 4.17Å; V280-I283 PolarHBondContact O-N 3.31Å; V280-L284 HydrophobicContact CG1-CD1 3.6Å; V280-L284 HydrophobicContact CG1-CG 4.04Å; V280-L284 WeakPolarHBondContact O-CB 3.23Å; V280-L284 VanDerWaalsContact O-CG 3.24Å; V280-L284 WeakPolarHBondContact O-CG 3.44Å; V280-L284 PolarHBondContact O-N 3.03Å
281D68.1Low69.9Low40 Ų4051.4 Ų51.421%0.21426%0.264CS..Hα-helixtrans-54.2-50165.5-738.7000111.8R268 S279 I283 L284 M285R268-D281 IonicContact CZ-OD2 3.25Å; R268-D281 IonicContact NE-OD1 3.37Å; R268-D281 IonicContact NE-OD2 3.05Å; R268-D281 PolarHBondContact NE-OD2 3.5Å; R268-D281 IonicContact NH2-OD2 2.68Å; R268-D281 PolarHBondContact NH2-OD2 3.19Å; R268-D281 VanDerWaalsContact NH2-OD2 3.16Å; S279-D281 PolarHBondContact O-N 2.98Å; S279-D281 VanDerWaalsContact O-N 3.16Å; D281-I283 VanDerWaalsContact C-N 3.34Å; D281-I283 PolarHBondContact O-N 3.42Å; D281-L284 PolarHBondContact O-N 3.39Å; D281-M285 VanDerWaalsContact O-CG 3.28Å; D281-M285 WeakPolarHBondContact O-CG 3.2Å; D281-M285 PolarHBondContact O-N 3.35Å
282Q72.4Confident71.1Confident111 Ų11144.4 Ų44.452%0.51923%0.234SC..Hα-helixtrans-63.7-39.6178.7-74169.8-20.500112.4S279 V280 M285S279-Q282 WeakPolarHBondContact O-CB 3.24Å; S279-Q282 PolarHBondContact O-N 3.43Å; S279-Q282 WeakPolarHBondContact OG-CG 3.39Å; S279-Q282 PolarHBondContact OG-N 3.5Å; V280-Q282 PolarHBondContact O-N 2.65Å; Q282-M285 PolarHBondContact O-N 3.01Å
283I75.1Confident72.4Confident4 Ų440.5 Ų40.52%0.02122%0.217CC..Hα-helixtrans-61.4-50.9175.3-70.2168.5000109.4C118 Q119 H275 F278 S279 V280 D281 M285 S286C118-I283 HydrophobicContact CB-CG2 3.81Å; C118-I283 WeakPolarHBondContact CB-O 3.48Å; Q119-I283 HydrophobicContact CB-CG2 4.43Å; Q119-I283 HydrophobicContact CG-CD1 3.96Å; Q119-I283 HydrophobicContact CG-CG1 4.35Å; Q119-I283 HydrophobicContact CG-CG2 3.54Å; H275-I283 HydrophobicContact CB-CD1 4.11Å; F278-I283 HydrophobicContact CB-CD1 4.2Å; F278-I283 HydrophobicContact CB-CG1 4.04Å; S279-I283 PolarHBondContact O-N 3.13Å; V280-I283 HydrophobicContact CG2-CD1 4.17Å; V280-I283 PolarHBondContact O-N 3.31Å; D281-I283 VanDerWaalsContact C-N 3.34Å; D281-I283 PolarHBondContact O-N 3.42Å; I283-M285 PolarHBondContact O-N 2.64Å; I283-S286 WeakPolarHBondContact O-CB 3.39Å; I283-S286 PolarHBondContact O-N 3.13Å; I283-S286 PolarHBondContact O-OG 3Å
284L79.4Confident74.1Confident3 Ų339.7 Ų39.72%0.01621%0.212CC..Hα-helixtrans-67.2-21-177.4-67.3168.6000113K114 V115 C118 W263 A267 V280 D281 S286 Q287K114-L284 HydrophobicContact CB-CD2 4.46Å; K114-L284 HydrophobicContact CG-CD2 3.85Å; V115-L284 HydrophobicContact CG2-CD2 4.37Å; C118-L284 HydrophobicContact CB-CD2 4.39Å; W263-L284 HydrophobicContact CB-CB 4.37Å; W263-L284 HydrophobicContact CB-CD1 4.27Å; W263-L284 HydrophobicContact CB-CD2 4.35Å; A267-L284 HydrophobicContact CB-CD1 3.2Å; V280-L284 HydrophobicContact CG1-CD1 3.6Å; V280-L284 HydrophobicContact CG1-CG 4.04Å; V280-L284 WeakPolarHBondContact O-CB 3.23Å; V280-L284 VanDerWaalsContact O-CG 3.24Å; V280-L284 WeakPolarHBondContact O-CG 3.44Å; V280-L284 PolarHBondContact O-N 3.03Å; D281-L284 PolarHBondContact O-N 3.39Å; L284-S286 PolarHBondContact O-N 2.82Å; L284-Q287 VanDerWaalsContact O-CB 3.32Å; L284-Q287 WeakPolarHBondContact O-CB 3.31Å; L284-Q287 PolarHBondContact O-N 2.91Å
285M76.2Confident76.2Confident103 Ų10335.7 Ų35.751%0.50719%0.185SC..Hα-helixtrans-65.7-24.8170.3-69.4-58.5168.200112.9P264 D281 Q282 I283 Q287 K373P264-M285 HydrophobicContact CB-CE 4.01Å; P264-M285 HydrophobicContact CG-CE 3.4Å; P264-M285 VanDerWaalsContact CG-CE 3.4Å; P264-M285 HydrophobicContact CG-SD 4.22Å; D281-M285 VanDerWaalsContact O-CG 3.28Å; D281-M285 WeakPolarHBondContact O-CG 3.2Å; D281-M285 PolarHBondContact O-N 3.35Å; Q282-M285 PolarHBondContact O-N 3.01Å; I283-M285 PolarHBondContact O-N 2.64Å; M285-Q287 PolarHBondContact O-N 3.13Å; M285-K373 WeakPolarHBondContact O-CD 3.41Å; M285-K373 WeakPolarHBondContact O-CE 3.46Å; M285-K373 PolarHBondContact O-NZ 2.95Å
286S77.8Confident78.2Confident21 Ų2134.8 Ų34.815%0.14718%0.18CC..THydrogen-bonded Turntrans-74.6-6178.275.90000114C118 A122 I283 L284C118-S286 PolarHBondContact O-OG 3.45Å; A122-S286 PolarHBondContact N-OG 2.91Å; I283-S286 WeakPolarHBondContact O-CB 3.39Å; I283-S286 PolarHBondContact O-N 3.13Å; I283-S286 PolarHBondContact O-OG 3Å; L284-S286 PolarHBondContact O-N 2.82Å
287Q82.6Confident80.2Confident20 Ų2029.3 Ų29.39%0.09315%0.145CC..PPolyproline II helixtrans-53.5129.7-177-175.8-163.9-36.700111.6C118 L284 M285 K373C118-Q287 VanDerWaalsContact SG-CB 3.58Å; L284-Q287 VanDerWaalsContact O-CB 3.32Å; L284-Q287 WeakPolarHBondContact O-CB 3.31Å; L284-Q287 PolarHBondContact O-N 2.91Å; M285-Q287 PolarHBondContact O-N 3.13Å; Q287-K373 PolarHBondContact O-NZ 3.1Å
288P81.9Confident82.3Confident3 Ų322 Ų222%0.01912%0.117CC..PPolyproline II helixtrans-68.9132.3171.529.8-33.3000109.7C293 Y377P288-C293 VanDerWaalsContact CB-SG 3.54Å; P288-Y377 HydrophobicContact CB-CE1 4.26Å; P288-Y377 HydrophobicContact CB-CE2 3.92Å
289P86.7Confident84.1Confident12 Ų1219.6 Ų19.68%0.07811%0.107CC..PPolyproline II helixtrans-59.9131.7180-22.431000111.6P291 L292 C293 E374P289-P291 VanDerWaalsContact C-CD 3.42Å; P289-P291 VanDerWaalsContact C-N 3.35Å; P289-P291 HydrophobicContact CB-CG 4.22Å; P289-L292 HydrophobicContact CB-CB 4.37Å; P289-L292 HydrophobicContact CB-CD1 4.24Å; P289-L292 HydrophobicContact CB-CG 4.14Å; P289-L292 HydrophobicContact CG-CD1 3.79Å; P289-L292 HydrophobicContact CG-CG 4.25Å; P289-L292 PolarHBondContact O-N 3.27Å; P289-C293 PolarHBondContact O-N 2.93Å; P289-C293 PolarHBondContact O-SG 3.35Å; P289-C293 VanDerWaalsContact O-SG 3.37Å; P289-E374 HydrophobicContact CG-CG 3.85Å
290P90.6Very high85.3Confident13 Ų1316.8 Ų16.88%0.0849%0.087CC..Hα-helixtrans-47.1-44.6176.8-28.334.7000115.5D194 L197 L292 C293 L294 W361D194-P290 WeakPolarHBondContact OD1-CG 3.4Å; L197-P290 HydrophobicContact CD2-CB 4.33Å; P290-L292 VanDerWaalsContact C-N 3.29Å; P290-L292 PolarHBondContact O-N 3Å; P290-C293 PolarHBondContact O-N 3.32Å; P290-L294 WeakPolarHBondContact O-CG 3.43Å; P290-L294 PolarHBondContact O-N 3.36Å; P290-W361 HydrophobicContact CB-CH2 4.47Å; P290-W361 HydrophobicContact CB-CZ2 3.89Å
291P92.4Very high86.3Confident2 Ų216.3 Ų16.31%0.0138%0.084CC..Hα-helixtrans-63.6-34177.924.5-35.6000113P289 M295 L337 W361 L363P289-P291 VanDerWaalsContact C-CD 3.42Å; P289-P291 VanDerWaalsContact C-N 3.35Å; P289-P291 HydrophobicContact CB-CG 4.22Å; P291-M295 WeakPolarHBondContact O-CB 3.39Å; P291-M295 PolarHBondContact O-N 2.92Å; P291-L337 HydrophobicContact CB-CD2 4.1Å; P291-W361 HydrophobicContact CB-CD2 4.28Å; P291-W361 HydrophobicContact CB-CE3 3.77Å; P291-W361 HydrophobicContact CB-CZ3 4.19Å; P291-W361 HydrophobicContact CG-CB 4.13Å; P291-W361 HydrophobicContact CG-CD2 4.13Å; P291-W361 HydrophobicContact CG-CE3 4.13Å; P291-W361 HydrophobicContact CG-CG 4.17Å; P291-L363 HydrophobicContact CG-CD2 4.3Å
292L92.5Very high87.1Confident4 Ų414.4 Ų14.42%0.0217%0.074CC..Hα-helixtrans-72.4-38.5177.1-64.5-175.6000111.4P289 P290 M295 W296 L363 Y377 L378 F419P289-L292 HydrophobicContact CB-CB 4.37Å; P289-L292 HydrophobicContact CB-CD1 4.24Å; P289-L292 HydrophobicContact CB-CG 4.14Å; P289-L292 HydrophobicContact CG-CD1 3.79Å; P289-L292 HydrophobicContact CG-CG 4.25Å; P289-L292 PolarHBondContact O-N 3.27Å; P290-L292 VanDerWaalsContact C-N 3.29Å; P290-L292 PolarHBondContact O-N 3Å; L292-M295 PolarHBondContact O-N 3.38Å; L292-W296 WeakPolarHBondContact O-CB 3.49Å; L292-W296 PolarHBondContact O-N 3.4Å; L292-L363 HydrophobicContact CD1-CD2 4.12Å; L292-L363 HydrophobicContact CD2-CD1 4.15Å; L292-L363 HydrophobicContact CD2-CD2 4.03Å; L292-L363 HydrophobicContact CG-CD2 3.89Å; L292-Y377 HydrophobicContact CD1-CG 4.44Å; L292-L378 HydrophobicContact CD1-CG 4.5Å; L292-L378 HydrophobicContact CD2-CD2 3.59Å; L292-L378 HydrophobicContact CD2-CG 4.13Å; L292-F419 HydrophobicContact CD2-CE1 4.15Å; L292-F419 HydrophobicContact CD2-CZ 3.76Å
293C92.8Very high87.5Confident1 Ų19.1 Ų9.11%0.0075%0.049CC..Hα-helixtrans-60.4-48.6174.4-60.50000112T201 L210 P288 P289 P290 M295 W296 W297T201-C293 HydrophobicContact CG2-CB 3.87Å; T201-C293 WeakPolarHBondContact OG1-CB 3.4Å; L210-C293 HydrophobicContact CD2-CB 4.19Å; P288-C293 VanDerWaalsContact CB-SG 3.54Å; P289-C293 PolarHBondContact O-N 2.93Å; P289-C293 PolarHBondContact O-SG 3.35Å; P289-C293 VanDerWaalsContact O-SG 3.37Å; P290-C293 PolarHBondContact O-N 3.32Å; C293-M295 VanDerWaalsContact C-N 3.34Å; C293-W296 WeakPolarHBondContact O-CB 3.25Å; C293-W296 PolarHBondContact O-N 3.33Å; C293-W297 PolarHBondContact O-N 3.31Å
294L95.3Very high87.7Confident0 Ų010.6 Ų10.60%05%0.054CC..Hα-helixtrans-65.3-39.3177.1-70.1173.4000111.7L197 T201 I235 L239 P290 W296 W297 T298 L329 L333 W361L197-L294 HydrophobicContact CD1-CD2 3.83Å; L197-L294 HydrophobicContact CD2-CD1 4.34Å; L197-L294 HydrophobicContact CD2-CG 4.49Å; T201-L294 HydrophobicContact CG2-CD2 4.19Å; I235-L294 HydrophobicContact CG2-CD2 3.75Å; L239-L294 HydrophobicContact CD1-CD1 4.22Å; L239-L294 HydrophobicContact CD2-CD1 4.31Å; P290-L294 WeakPolarHBondContact O-CG 3.43Å; P290-L294 PolarHBondContact O-N 3.36Å; L294-W296 VanDerWaalsContact C-N 3.33Å; L294-W296 PolarHBondContact O-N 2.74Å; L294-W297 WeakPolarHBondContact O-CB 3.5Å; L294-W297 PolarHBondContact O-N 3.24Å; L294-T298 WeakPolarHBondContact O-CG2 3.46Å; L294-T298 PolarHBondContact O-N 2.9Å; L294-L329 HydrophobicContact CD2-CD1 4.4Å; L294-L329 HydrophobicContact CD2-CD2 4.34Å; L294-L333 HydrophobicContact CB-CD1 4.29Å; L294-L333 HydrophobicContact CB-CD2 3.86Å; L294-L333 HydrophobicContact CD1-CD1 4.1Å; L294-W361 HydrophobicContact CD1-CH2 4.07Å
295M94.8Very high87.3Confident0 Ų011.7 Ų11.70%06%0.059CC..Hα-helixtrans-62.3-44.2177.8-170.960.7-166.900111.3P291 L292 C293 W297 T298 I299 L333 M381 R415 F419P291-M295 WeakPolarHBondContact O-CB 3.39Å; P291-M295 PolarHBondContact O-N 2.92Å; L292-M295 PolarHBondContact O-N 3.38Å; C293-M295 VanDerWaalsContact C-N 3.34Å; M295-W297 VanDerWaalsContact C-N 3.28Å; M295-W297 PolarHBondContact O-N 3.18Å; M295-T298 PolarHBondContact O-N 3.01Å; M295-T298 PolarHBondContact O-OG1 3.09Å; M295-T298 PolarHBondContact SD-OG1 2.8Å; M295-I299 HydrophobicContact CE-CD1 3.48Å; M295-I299 VanDerWaalsContact CE-CD1 3.48Å; M295-I299 HydrophobicContact CE-CG1 3.19Å; M295-I299 HydrophobicContact CG-CD1 3.66Å; M295-I299 HydrophobicContact CG-CG1 3.99Å; M295-I299 WeakPolarHBondContact O-CG1 3.36Å; M295-I299 PolarHBondContact O-N 3.49Å; M295-I299 HydrophobicContact SD-CD1 4.33Å; M295-I299 HydrophobicContact SD-CG1 4.14Å; M295-L333 HydrophobicContact CB-CD2 4.27Å; M295-L333 HydrophobicContact SD-CD2 4.17Å; M295-M381 HydrophobicContact CB-CE 4.14Å; M295-M381 HydrophobicContact CG-CE 4.19Å; M295-M381 HydrophobicContact CG-SD 4.08Å; M295-R415 VanDerWaalsContact CE-C 3.44Å; M295-R415 HydrophobicContact CE-CB 4.19Å; M295-R415 WeakPolarHBondContact CE-O 3.42Å; M295-F419 HydrophobicContact CB-CD2 4.13Å; M295-F419 HydrophobicContact CB-CE2 4.01Å; M295-F419 HydrophobicContact CB-CZ 4.39Å; M295-F419 HydrophobicContact CE-CB 3.23Å; M295-F419 HydrophobicContact CE-CD2 4.35Å; M295-F419 HydrophobicContact CE-CG 3.85Å; M295-F419 HydrophobicContact CG-CB 4.23Å; M295-F419 HydrophobicContact CG-CD1 4.06Å; M295-F419 HydrophobicContact CG-CD2 3.71Å; M295-F419 HydrophobicContact CG-CE1 4.36Å; M295-F419 HydrophobicContact CG-CE2 4.01Å; M295-F419 HydrophobicContact CG-CG 3.73Å; M295-F419 HydrophobicContact CG-CZ 4.34Å; M295-F419 HydrophobicContact SD-CB 3.52Å; M295-F419 VanDerWaalsContact SD-CB 3.52Å; M295-F419 HydrophobicContact SD-CD1 4.43Å; M295-F419 HydrophobicContact SD-CD2 3.47Å; M295-F419 WeakPolarHBondContact SD-CD2 3.5Å; M295-F419 HydrophobicContact SD-CE2 4.28Å; M295-F419 HydrophobicContact SD-CG 3.57Å; M295-F419 VanDerWaalsContact SD-CG 3.57Å
296W92.5Very high86.9Confident3 Ų38.5 Ų8.51%0.0114%0.044CC..Hα-helixtrans-52.2-46.7176.8-162.3-71.3000112P208 L210 S213 L292 C293 L294 T298 F300 M381 Q384P208-W296 PolarHBondContact O-NE1 3.06Å; L210-W296 HydrophobicContact CB-CG 4.29Å; L210-W296 HydrophobicContact CD1-CD2 4.25Å; L210-W296 HydrophobicContact CD1-CE3 4.2Å; S213-W296 WeakPolarHBondContact OG-CH2 3.22Å; L292-W296 WeakPolarHBondContact O-CB 3.49Å; L292-W296 PolarHBondContact O-N 3.4Å; C293-W296 WeakPolarHBondContact O-CB 3.25Å; C293-W296 PolarHBondContact O-N 3.33Å; L294-W296 VanDerWaalsContact C-N 3.33Å; L294-W296 PolarHBondContact O-N 2.74Å; W296-T298 PolarHBondContact O-N 2.85Å; W296-F300 AromaticContact CD1-CD2 3.58Å; W296-F300 HydrophobicContact CD2-CD2 4.16Å; W296-F300 AromaticContact CD2-CE2 3.8Å; W296-F300 HydrophobicContact CD2-CE2 3.8Å; W296-F300 AromaticContact CE2-CD2 3.78Å; W296-F300 AromaticContact CE2-CE2 3.47Å; W296-F300 VanDerWaalsContact CE2-CE2 3.47Å; W296-F300 HydrophobicContact CE3-CE2 4.36Å; W296-F300 HydrophobicContact CG-CD2 4.03Å; W296-F300 HydrophobicContact CG-CE2 4.13Å; W296-F300 HydrophobicContact CH2-CE2 4.3Å; W296-F300 HydrophobicContact CZ2-CD2 4.39Å; W296-F300 AromaticContact CZ2-CE2 3.74Å; W296-F300 HydrophobicContact CZ2-CE2 3.74Å; W296-F300 HydrophobicContact CZ2-CZ 4.44Å; W296-F300 AromaticContact NE1-CD2 3.38Å; W296-F300 AromaticContact NE1-CE2 3.6Å; W296-F300 VanDerWaalsContact O-CD2 3.29Å; W296-F300 WeakPolarHBondContact O-CD2 3.43Å; W296-F300 PolarHBondContact O-N 3.27Å; W296-M381 HydrophobicContact CB-CE 4.25Å; W296-M381 HydrophobicContact CE3-CB 4.18Å; W296-M381 HydrophobicContact CE3-CE 3.76Å; W296-M381 HydrophobicContact CE3-CG 4.39Å; W296-M381 HydrophobicContact CZ3-CB 3.83Å; W296-M381 HydrophobicContact CZ3-CE 4.49Å; W296-M381 HydrophobicContact CZ3-CG 4.44Å; W296-Q384 HydrophobicContact CH2-CG 4.07Å; W296-Q384 HydrophobicContact CZ2-CG 4.27Å
297W91.1Very high86.3Confident1 Ų111.4 Ų11.40%0.0046%0.057CC..Hα-helixtrans-56.9-49174.2-90.122.1000112.9V200 T201 Y204 F206 P227 I231 I232 I235 C293 L294 M295 E301 I326 L329V200-W297 HydrophobicContact CG1-CH2 3.35Å; V200-W297 HydrophobicContact CG1-CZ2 3.64Å; V200-W297 HydrophobicContact CG1-CZ3 4.44Å; V200-W297 WeakPolarHBondContact O-CZ2 3.39Å; T201-W297 HydrophobicContact CG2-CZ2 4.37Å; T201-W297 PolarHBondContact O-NE1 3.47Å; Y204-W297 PolarHBondContact O-NE1 2.87Å; F206-W297 WeakPolarHBondContact CD2-O 3.42Å; P227-W297 HydrophobicContact CB-CH2 4.1Å; P227-W297 HydrophobicContact CB-CZ3 4.48Å; I231-W297 HydrophobicContact CG2-CH2 4.48Å; I232-W297 HydrophobicContact CG1-CZ3 3.98Å; I235-W297 HydrophobicContact CD1-CH2 4.25Å; I235-W297 HydrophobicContact CD1-CZ3 4.05Å; C293-W297 PolarHBondContact O-N 3.31Å; L294-W297 WeakPolarHBondContact O-CB 3.5Å; L294-W297 PolarHBondContact O-N 3.24Å; M295-W297 VanDerWaalsContact C-N 3.28Å; M295-W297 PolarHBondContact O-N 3.18Å; W297-E301 PolarHBondContact O-N 3.47Å; W297-I326 HydrophobicContact CE3-CD1 4.12Å; W297-L329 HydrophobicContact CE3-CD2 4.03Å
298T94.2Very high85.1Confident0 Ų012.3 Ų12.30%07%0.071CC..Hα-helixtrans-72.2-36.2-173.265.70000112.4L294 M295 W296 I326 L329 H330 R415L294-T298 WeakPolarHBondContact O-CG2 3.46Å; L294-T298 PolarHBondContact O-N 2.9Å; M295-T298 PolarHBondContact O-N 3.01Å; M295-T298 PolarHBondContact O-OG1 3.09Å; M295-T298 PolarHBondContact SD-OG1 2.8Å; W296-T298 PolarHBondContact O-N 2.85Å; T298-I326 HydrophobicContact CG2-CG2 4.15Å; T298-L329 HydrophobicContact CG2-CD2 4.25Å; T298-L329 HydrophobicContact CG2-CG 4.2Å; T298-H330 WeakPolarHBondContact CB-ND1 3.48Å; T298-H330 HydrophobicContact CG2-CB 3.71Å; T298-H330 PolarHBondContact OG1-ND1 3.41Å; T298-R415 WeakPolarHBondContact O-CD 3.3Å; T298-R415 PolarHBondContact O-NH1 3.35Å
299I94Very high83.5Confident0 Ų020.4 Ų20.40%010%0.103CC..Hα-helixtrans-65.4-48.5179.3-69.9178.1000111.4M295 P302 M381 V385 M412 R415 L416M295-I299 HydrophobicContact CE-CD1 3.48Å; M295-I299 VanDerWaalsContact CE-CD1 3.48Å; M295-I299 HydrophobicContact CE-CG1 3.19Å; M295-I299 HydrophobicContact CG-CD1 3.66Å; M295-I299 HydrophobicContact CG-CG1 3.99Å; M295-I299 WeakPolarHBondContact O-CG1 3.36Å; M295-I299 PolarHBondContact O-N 3.49Å; M295-I299 HydrophobicContact SD-CD1 4.33Å; M295-I299 HydrophobicContact SD-CG1 4.14Å; I299-P302 WeakPolarHBondContact O-CD 3.41Å; I299-M381 HydrophobicContact CD1-CE 4.38Å; I299-M381 HydrophobicContact CD1-CG 3.78Å; I299-M381 HydrophobicContact CD1-SD 3.28Å; I299-M381 WeakPolarHBondContact CD1-SD 3.34Å; I299-V385 HydrophobicContact CG2-CG2 3.65Å; I299-M412 HydrophobicContact CG2-CG 3.56Å; I299-M412 HydrophobicContact CG2-SD 4.36Å; I299-M412 WeakPolarHBondContact O-CG 3.43Å; I299-R415 HydrophobicContact CG1-CB 4.41Å; I299-L416 HydrophobicContact CD1-CB 4Å; I299-L416 HydrophobicContact CD1-CD1 3.79Å; I299-L416 HydrophobicContact CD1-CG 4.48Å; I299-L416 HydrophobicContact CG1-CB 4.48Å
300F91.7Very high81.6Confident1 Ų124.6 Ų24.60%0.00413%0.133CC..Hα-helixtrans-91.9-5.6-168.8-63.5-63.5000114.2F206 P208 W296 P302 L303 M381 Q384 V385 M412F206-F300 HydrophobicContact CB-CB 4.49Å; P208-F300 VanDerWaalsContact CD-CD1 3.49Å; P208-F300 HydrophobicContact CG-CD1 3.67Å; P208-F300 HydrophobicContact CG-CD2 4.2Å; P208-F300 HydrophobicContact CG-CE1 3.58Å; P208-F300 HydrophobicContact CG-CE2 4.15Å; P208-F300 HydrophobicContact CG-CG 3.97Å; P208-F300 HydrophobicContact CG-CZ 3.84Å; W296-F300 AromaticContact CD1-CD2 3.58Å; W296-F300 HydrophobicContact CD2-CD2 4.16Å; W296-F300 AromaticContact CD2-CE2 3.8Å; W296-F300 HydrophobicContact CD2-CE2 3.8Å; W296-F300 AromaticContact CE2-CD2 3.78Å; W296-F300 AromaticContact CE2-CE2 3.47Å; W296-F300 VanDerWaalsContact CE2-CE2 3.47Å; W296-F300 HydrophobicContact CE3-CE2 4.36Å; W296-F300 HydrophobicContact CG-CD2 4.03Å; W296-F300 HydrophobicContact CG-CE2 4.13Å; W296-F300 HydrophobicContact CH2-CE2 4.3Å; W296-F300 HydrophobicContact CZ2-CD2 4.39Å; W296-F300 AromaticContact CZ2-CE2 3.74Å; W296-F300 HydrophobicContact CZ2-CE2 3.74Å; W296-F300 HydrophobicContact CZ2-CZ 4.44Å; W296-F300 AromaticContact NE1-CD2 3.38Å; W296-F300 AromaticContact NE1-CE2 3.6Å; W296-F300 VanDerWaalsContact O-CD2 3.29Å; W296-F300 WeakPolarHBondContact O-CD2 3.43Å; W296-F300 PolarHBondContact O-N 3.27Å; F300-P302 VanDerWaalsContact C-N 3.35Å; F300-L303 HydrophobicContact CB-CD1 4.45Å; F300-L303 HydrophobicContact CD1-CD1 3.75Å; F300-L303 WeakPolarHBondContact O-CB 3.19Å; F300-L303 PolarHBondContact O-N 2.92Å; F300-L303 VanDerWaalsContact O-N 3.12Å; F300-M381 HydrophobicContact CE2-CG 4.37Å; F300-M381 HydrophobicContact CZ-CG 4.49Å; F300-Q384 HydrophobicContact CE1-CB 4.13Å; F300-Q384 HydrophobicContact CZ-CB 3.64Å; F300-V385 HydrophobicContact CE1-CG2 3.62Å; F300-V385 HydrophobicContact CZ-CG2 3.77Å; F300-M412 HydrophobicContact CD1-SD 3.76Å; F300-M412 HydrophobicContact CE1-SD 3.95Å
301E89.3Confident79.3Confident1 Ų133.7 Ų33.71%0.00517%0.166CC..Hα-helixtrans-52.3-41173.7-172.3-88.9160.600115.2F206 W297 L303 R304 H305 S323 I326 R415F206-E301 HydrophobicContact CD2-CB 3.58Å; F206-E301 HydrophobicContact CD2-CG 4.05Å; F206-E301 HydrophobicContact CE1-CG 4.23Å; F206-E301 HydrophobicContact CE2-CB 3.47Å; F206-E301 VanDerWaalsContact CE2-CB 3.47Å; F206-E301 HydrophobicContact CE2-CG 3.56Å; F206-E301 HydrophobicContact CG-CB 4.29Å; F206-E301 HydrophobicContact CZ-CB 4.11Å; F206-E301 HydrophobicContact CZ-CG 3.65Å; W297-E301 PolarHBondContact O-N 3.47Å; E301-L303 PolarHBondContact O-N 3.32Å; E301-R304 VanDerWaalsContact O-CB 3.25Å; E301-R304 WeakPolarHBondContact O-CB 3.4Å; E301-R304 PolarHBondContact O-N 3.44Å; E301-R304 IonicContact OE1-CZ 3.36Å; E301-R304 IonicContact OE1-NH2 3.24Å; E301-R304 PolarHBondContact OE1-NH2 3.47Å; E301-H305 IonicContact OE1-CD2 3.09Å; E301-H305 IonicContact OE1-CE1 2.71Å; E301-H305 IonicContact OE1-NE2 2.82Å; E301-H305 PolarHBondContact OE1-NE2 3.28Å; E301-H305 IonicContact OE2-NE2 3.55Å; E301-S323 WeakPolarHBondContact OE1-CA 3.33Å; E301-S323 VanDerWaalsContact OE1-CB 3.25Å; E301-S323 WeakPolarHBondContact OE1-CB 3.49Å; E301-S323 PolarHBondContact OE1-OG 3.27Å; E301-S323 PolarHBondContact OE2-OG 3.26Å; E301-I326 HydrophobicContact CB-CB 4.49Å; E301-I326 HydrophobicContact CB-CG2 3.74Å; E301-I326 HydrophobicContact CG-CB 4.07Å; E301-I326 HydrophobicContact CG-CG1 4.02Å; E301-I326 HydrophobicContact CG-CG2 3.87Å; E301-R415 IonicContact OE2-NH1 2.78Å; E301-R415 PolarHBondContact OE2-NH1 2.99Å
302P85.7Confident76.8Confident0 Ų042.9 Ų42.90%021%0.206CC..Hα-helixtrans-57-32.7178.3-2637.4000113.1I299 F300 R304 H305 I306 L408 L411I299-P302 WeakPolarHBondContact O-CD 3.41Å; F300-P302 VanDerWaalsContact C-N 3.35Å; P302-R304 PolarHBondContact O-N 2.95Å; P302-H305 WeakPolarHBondContact O-CB 2.92Å; P302-H305 PolarHBondContact O-N 2.95Å; P302-H305 VanDerWaalsContact O-N 3.07Å; P302-I306 PolarHBondContact O-N 2.82Å; P302-L408 HydrophobicContact CB-CB 4.07Å; P302-L408 HydrophobicContact CB-CD2 4.02Å; P302-L408 WeakPolarHBondContact CB-O 3.4Å; P302-L411 HydrophobicContact CB-CD2 4.41Å; P302-L411 HydrophobicContact CG-CB 4.37Å; P302-L411 HydrophobicContact CG-CD2 3.87Å; P302-L411 HydrophobicContact CG-CG 3.99Å
303L81.1Confident74.8Confident0 Ų048.3 Ų48.30%025%0.245CC..Hα-helixtrans-64.1-27.3-179.9-59.2-174.7000112.7H207 F300 E301 H305 I306 I307 Q388 I392 L409 M412H207-L303 WeakPolarHBondContact O-CD1 3.3Å; F300-L303 HydrophobicContact CB-CD1 4.45Å; F300-L303 HydrophobicContact CD1-CD1 3.75Å; F300-L303 WeakPolarHBondContact O-CB 3.19Å; F300-L303 PolarHBondContact O-N 2.92Å; F300-L303 VanDerWaalsContact O-N 3.12Å; E301-L303 PolarHBondContact O-N 3.32Å; L303-H305 PolarHBondContact O-N 3.42Å; L303-I306 HydrophobicContact CD2-CD1 3.81Å; L303-I306 PolarHBondContact O-N 3.34Å; L303-I307 WeakPolarHBondContact O-CG1 3.45Å; L303-I307 PolarHBondContact O-N 3.27Å; L303-Q388 HydrophobicContact CD1-CB 4Å; L303-Q388 HydrophobicContact CD1-CG 3.7Å; L303-I392 HydrophobicContact CD2-CD1 3.54Å; L303-L409 HydrophobicContact CD2-CD2 4.3Å; L303-M412 HydrophobicContact CD1-SD 4Å; L303-M412 HydrophobicContact CD2-CE 4.19Å; L303-M412 HydrophobicContact CD2-SD 3.99Å; L303-M412 HydrophobicContact CG-SD 4.04Å
304R78.2Confident72.7Confident35 Ų3557.9 Ų57.913%0.13229%0.286CS..Hα-helixtrans-59.3-37.8174.4-177.8-178.858.584.50.7111.6F206 E301 P302 G308 V319F206-R304 HydrophobicContact CD1-CB 3.97Å; F206-R304 HydrophobicContact CD1-CG 4.26Å; E301-R304 VanDerWaalsContact O-CB 3.25Å; E301-R304 WeakPolarHBondContact O-CB 3.4Å; E301-R304 PolarHBondContact O-N 3.44Å; E301-R304 IonicContact OE1-CZ 3.36Å; E301-R304 IonicContact OE1-NH2 3.24Å; E301-R304 PolarHBondContact OE1-NH2 3.47Å; P302-R304 PolarHBondContact O-N 2.95Å; R304-G308 WeakPolarHBondContact O-CA 3.34Å; R304-G308 PolarHBondContact O-N 3.05Å; R304-V319 VanDerWaalsContact NH1-CG1 3.25Å; R304-V319 VanDerWaalsContact NH1-CG2 3.33Å; R304-V319 PolarHBondContact NH2-O 2.92Å
305H72.2Confident70.6Confident25 Ų2564.2 Ų64.212%0.11632%0.316CS..Hα-helixtrans-69.5-45.5177.2-60.5-87.3000110E301 P302 L303 I307 G308 Y309 V319 S323 L408E301-H305 IonicContact OE1-CD2 3.09Å; E301-H305 IonicContact OE1-CE1 2.71Å; E301-H305 IonicContact OE1-NE2 2.82Å; E301-H305 PolarHBondContact OE1-NE2 3.28Å; E301-H305 IonicContact OE2-NE2 3.55Å; P302-H305 WeakPolarHBondContact O-CB 2.92Å; P302-H305 PolarHBondContact O-N 2.95Å; P302-H305 VanDerWaalsContact O-N 3.07Å; L303-H305 PolarHBondContact O-N 3.42Å; H305-I307 VanDerWaalsContact C-N 3.35Å; H305-I307 PolarHBondContact O-N 3.14Å; H305-G308 PolarHBondContact O-N 2.98Å; H305-Y309 HydrophobicContact CB-CD2 4.5Å; H305-Y309 HydrophobicContact CB-CE2 4.12Å; H305-Y309 WeakPolarHBondContact O-CD2 3.09Å; H305-Y309 PolarHBondContact O-N 2.85Å; H305-V319 WeakPolarHBondContact CE1-CG1 3.44Å; H305-V319 WeakPolarHBondContact ND1-CG1 3.23Å; H305-S323 PolarHBondContact NE2-OG 2.92Å; H305-L408 HydrophobicContact CB-CD1 3.62Å; H305-L408 HydrophobicContact CB-CD2 4.36Å
306I66.4Low69.3Low37 Ų3768.5 Ų68.519%0.1934%0.339CS..Hα-helixtrans-57-46.9179.5-55.2179.6000111.4P302 L303 I392 L408 L409P302-I306 PolarHBondContact O-N 2.82Å; L303-I306 HydrophobicContact CD2-CD1 3.81Å; L303-I306 PolarHBondContact O-N 3.34Å; I306-I392 HydrophobicContact CD1-CD1 3.87Å; I306-I392 HydrophobicContact CD1-CG2 4.4Å; I306-I392 HydrophobicContact CG2-CD1 4.18Å; I306-I392 HydrophobicContact CG2-CG1 4.43Å; I306-I392 HydrophobicContact CG2-CG2 4.12Å; I306-L408 HydrophobicContact CD1-CB 3.69Å; I306-L408 HydrophobicContact CD1-CD1 4.43Å; I306-L408 HydrophobicContact CG1-CB 3.73Å; I306-L408 HydrophobicContact CG1-CD1 3.54Å; I306-L408 HydrophobicContact CG1-CG 4.3Å; I306-L409 HydrophobicContact CD1-CD2 4.11Å; I306-L409 HydrophobicContact CD1-CG 4.26Å
307I65.5Low68.4Low82 Ų8275.1 Ų75.142%0.42137%0.37SS..Hα-helixtrans-75.5-38.4179.8-60167.8000110.8L303 H305 Y309 S310L303-I307 WeakPolarHBondContact O-CG1 3.45Å; L303-I307 PolarHBondContact O-N 3.27Å; H305-I307 VanDerWaalsContact C-N 3.35Å; H305-I307 PolarHBondContact O-N 3.14Å; I307-Y309 PolarHBondContact O-N 3.49Å; I307-S310 PolarHBondContact O-N 2.82Å
308G57.3Low67.5Low38 Ų3878 Ų7839%0.39239%0.39SS..Hα-helixtrans-69.7-24.4-177.300000114.8R304 H305 S310 Y311R304-G308 WeakPolarHBondContact O-CA 3.34Å; R304-G308 PolarHBondContact O-N 3.05Å; H305-G308 PolarHBondContact O-N 2.98Å; G308-S310 PolarHBondContact O-N 2.68Å; G308-Y311 PolarHBondContact O-N 2.52Å
309Y48.3Very low66.7Low173 Ų17379.1 Ų79.168%0.67840%0.397SS*.THydrogen-bonded Turntrans-59.9-14.7175.3-86.9-67000113.7H305 I307 Y311H305-Y309 HydrophobicContact CB-CD2 4.5Å; H305-Y309 HydrophobicContact CB-CE2 4.12Å; H305-Y309 WeakPolarHBondContact O-CD2 3.09Å; H305-Y309 PolarHBondContact O-N 2.85Å; I307-Y309 PolarHBondContact O-N 3.49Å; Y309-Y311 VanDerWaalsContact C-N 3.3Å; Y309-Y311 PolarHBondContact O-N 3.18Å
310S46.7Very low66.2Low101 Ų10184.4 Ų84.471%0.70642%0.42SS*.THydrogen-bonded Turntrans-69.1-23.4171.1-165.80000113.6I307 G308I307-S310 PolarHBondContact O-N 2.82Å; G308-S310 PolarHBondContact O-N 2.68Å
311Y42.9Very low65.9Low203 Ų20387 Ų8780%0.79643%0.433SS*.SBendtrans-111.4117.9-175.9-77.3-90.2000112.9G308 Y309G308-Y311 PolarHBondContact O-N 2.52Å; Y309-Y311 VanDerWaalsContact C-N 3.3Å; Y309-Y311 PolarHBondContact O-N 3.18Å
312K40Very low65.7Low196 Ų19687.3 Ų87.385%0.85244%0.435SS*.  trans-45.4121.6-170.8-69174174.6175.30117.7K314K312-K314 PolarHBondContact O-N 3.06Å
313S49.9Very low65.9Low118 Ų11888.4 Ų88.483%0.82544%0.442SS*.SBendtrans48.112.9130.673.30000124.7
314K49Very low66.3Low201 Ų20192.4 Ų92.487%0.87446%0.464SS*.SBendtrans-1286.8171.3-86.5-170177.3-176.40117.5K312K312-K314 PolarHBondContact O-N 3.06Å
315Q52.1Low67Low133 Ų13390.9 Ų90.962%0.62146%0.459SS*.  trans-101.511.5179.7-77.7-170.3-9.900115.3E317 S318 V319Q315-E317 PolarHBondContact O-N 3.46Å; Q315-S318 PolarHBondContact O-OG 3.06Å; Q315-V319 HydrophobicContact CB-CG2 3.81Å; Q315-V319 VanDerWaalsContact O-CB 3.25Å; Q315-V319 WeakPolarHBondContact O-CB 3.46Å; Q315-V319 WeakPolarHBondContact O-CG2 3.41Å; Q315-V319 PolarHBondContact O-N 3.33Å
316D66.4Low68Low90 Ų9089.7 Ų89.748%0.48145%0.453SS..Hα-helixtrans-64.1-37.7-162.5-159.613.5000114.5K320D316-K320 VanDerWaalsContact O-CB 3.3Å; D316-K320 WeakPolarHBondContact O-CB 3.31Å; D316-K320 WeakPolarHBondContact O-CD 3.39Å; D316-K320 WeakPolarHBondContact O-CG 3.49Å; D316-K320 PolarHBondContact O-N 3.23Å; D316-K320 WeakPolarHBondContact OD1-CD 3.33Å; D316-K320 WeakPolarHBondContact OD1-CE 3.22Å; D316-K320 IonicContact OD1-NZ 3.68Å; D316-K320 PolarHBondContact OD1-NZ 3.37Å; D316-K320 VanDerWaalsContact OD1-NZ 3.09Å; D316-K320 IonicContact OD2-NZ 2.8Å; D316-K320 PolarHBondContact OD2-NZ 2.89Å
317E74Confident69.3Low143 Ų14390.1 Ų90.167%0.66846%0.46SS*.Hα-helixtrans-72.2-47.2-177.5-69.1-169.7166.500113.9Q315 V319 K320 L321Q315-E317 PolarHBondContact O-N 3.46Å; E317-V319 VanDerWaalsContact C-N 3.33Å; E317-V319 PolarHBondContact O-N 2.76Å; E317-K320 PolarHBondContact O-N 2.87Å; E317-L321 WeakPolarHBondContact O-CB 3.38Å; E317-L321 PolarHBondContact O-N 3.42Å
318S72.9Confident70.6Confident62 Ų6290.3 Ų90.343%0.43446%0.461SS..Hα-helixtrans-67.1-37.7179.860.80000111.5Q315 L321 I322Q315-S318 PolarHBondContact O-OG 3.06Å; S318-L321 PolarHBondContact O-N 2.71Å; S318-I322 VanDerWaalsContact O-CG1 3.29Å; S318-I322 WeakPolarHBondContact O-CG1 3.33Å; S318-I322 PolarHBondContact O-N 3.19Å
319V77.1Confident72.5Confident23 Ų2388.5 Ų88.514%0.13944%0.443CS..Hα-helixtrans-62.9-44.2176.3164.90000111.3R304 H305 Q315 E317 S323R304-V319 VanDerWaalsContact NH1-CG1 3.25Å; R304-V319 VanDerWaalsContact NH1-CG2 3.33Å; R304-V319 PolarHBondContact NH2-O 2.92Å; H305-V319 WeakPolarHBondContact CE1-CG1 3.44Å; H305-V319 WeakPolarHBondContact ND1-CG1 3.23Å; Q315-V319 HydrophobicContact CB-CG2 3.81Å; Q315-V319 VanDerWaalsContact O-CB 3.25Å; Q315-V319 WeakPolarHBondContact O-CB 3.46Å; Q315-V319 WeakPolarHBondContact O-CG2 3.41Å; Q315-V319 PolarHBondContact O-N 3.33Å; E317-V319 VanDerWaalsContact C-N 3.33Å; E317-V319 PolarHBondContact O-N 2.76Å; V319-S323 PolarHBondContact O-N 3.41Å; V319-S323 VanDerWaalsContact O-N 3.12Å
320K82.6Confident74.8Confident111 Ų11180.8 Ų80.848%0.48341%0.413SS..Hα-helixtrans-65.2-42.7174.3-79169.9173.5160.10111.9D316 E317 I322 S323 N324D316-K320 VanDerWaalsContact O-CB 3.3Å; D316-K320 WeakPolarHBondContact O-CB 3.31Å; D316-K320 WeakPolarHBondContact O-CD 3.39Å; D316-K320 WeakPolarHBondContact O-CG 3.49Å; D316-K320 PolarHBondContact O-N 3.23Å; D316-K320 WeakPolarHBondContact OD1-CD 3.33Å; D316-K320 WeakPolarHBondContact OD1-CE 3.22Å; D316-K320 IonicContact OD1-NZ 3.68Å; D316-K320 PolarHBondContact OD1-NZ 3.37Å; D316-K320 VanDerWaalsContact OD1-NZ 3.09Å; D316-K320 IonicContact OD2-NZ 2.8Å; D316-K320 PolarHBondContact OD2-NZ 2.89Å; E317-K320 PolarHBondContact O-N 2.87Å; K320-I322 PolarHBondContact O-N 2.96Å; K320-S323 PolarHBondContact O-N 2.96Å; K320-N324 VanDerWaalsContact O-CG 3.27Å; K320-N324 PolarHBondContact O-N 2.87Å; K320-N324 PolarHBondContact O-ND2 3.15Å
321L85.4Confident77.1Confident55 Ų5582.6 Ų82.629%0.28841%0.405SS..Hα-helixtrans-59.7-47177.5178.862.2000111.5M170 P229 E317 S318 S323 N324 C325M170-L321 HydrophobicContact CE-CD1 4.07Å; P229-L321 HydrophobicContact CB-CD2 3.87Å; P229-L321 HydrophobicContact CB-CG 4.05Å; P229-L321 HydrophobicContact CG-CD2 3.85Å; P229-L321 HydrophobicContact CG-CG 4.23Å; E317-L321 WeakPolarHBondContact O-CB 3.38Å; E317-L321 PolarHBondContact O-N 3.42Å; S318-L321 PolarHBondContact O-N 2.71Å; L321-S323 VanDerWaalsContact C-N 3.33Å; L321-S323 PolarHBondContact O-N 3.22Å; L321-N324 PolarHBondContact O-N 2.79Å; L321-C325 PolarHBondContact O-N 2.94Å; L321-C325 PolarHBondContact O-SG 3.35Å
322I86.9Confident79.6Confident8 Ų873 Ų734%0.04137%0.367CS..Hα-helixtrans-59.9-45176.6-68.4166.4000110.7F206 I226 P229 I232 S318 K320 N324 C325 I326F206-I322 HydrophobicContact CE1-CG2 4.45Å; F206-I322 HydrophobicContact CZ-CG2 4.12Å; I226-I322 HydrophobicContact CG2-CD1 3.42Å; I226-I322 VanDerWaalsContact CG2-CD1 3.42Å; P229-I322 HydrophobicContact CG-CG1 3.85Å; I232-I322 HydrophobicContact CD1-CG2 4.09Å; S318-I322 VanDerWaalsContact O-CG1 3.29Å; S318-I322 WeakPolarHBondContact O-CG1 3.33Å; S318-I322 PolarHBondContact O-N 3.19Å; K320-I322 PolarHBondContact O-N 2.96Å; I322-N324 VanDerWaalsContact C-N 3.33Å; I322-N324 PolarHBondContact O-N 3.31Å; I322-C325 PolarHBondContact O-N 3.47Å; I322-I326 HydrophobicContact CG2-CG1 4.24Å; I322-I326 WeakPolarHBondContact O-CB 3.3Å; I322-I326 WeakPolarHBondContact O-CG1 3.4Å; I322-I326 PolarHBondContact O-N 2.87Å
323S88.3Confident82.3Confident22 Ų2263.6 Ų63.615%0.15433%0.327CS..Hα-helixtrans-63-39.1-179.6-166.30000112.4E301 H305 V319 K320 L321 I326 S327E301-S323 WeakPolarHBondContact OE1-CA 3.33Å; E301-S323 VanDerWaalsContact OE1-CB 3.25Å; E301-S323 WeakPolarHBondContact OE1-CB 3.49Å; E301-S323 PolarHBondContact OE1-OG 3.27Å; E301-S323 PolarHBondContact OE2-OG 3.26Å; H305-S323 PolarHBondContact NE2-OG 2.92Å; V319-S323 PolarHBondContact O-N 3.41Å; V319-S323 VanDerWaalsContact O-N 3.12Å; K320-S323 PolarHBondContact O-N 2.96Å; L321-S323 VanDerWaalsContact C-N 3.33Å; L321-S323 PolarHBondContact O-N 3.22Å; S323-I326 PolarHBondContact O-N 2.98Å; S323-S327 WeakPolarHBondContact O-CB 3.31Å; S323-S327 PolarHBondContact O-N 3.42Å; S323-S327 PolarHBondContact O-OG 3.32Å
324N90.3Very high84.5Confident85 Ų8558.7 Ų58.746%0.45529%0.291SS..Hα-helixtrans-63.4-48.9172.7-66.2-20.1000111K320 L321 I322 I326 S327 D328K320-N324 VanDerWaalsContact O-CG 3.27Å; K320-N324 PolarHBondContact O-N 2.87Å; K320-N324 PolarHBondContact O-ND2 3.15Å; L321-N324 PolarHBondContact O-N 2.79Å; I322-N324 VanDerWaalsContact C-N 3.33Å; I322-N324 PolarHBondContact O-N 3.31Å; N324-I326 VanDerWaalsContact C-N 3.29Å; N324-I326 PolarHBondContact O-N 3.47Å; N324-S327 WeakPolarHBondContact O-CB 3.29Å; N324-S327 PolarHBondContact O-N 3.41Å; N324-S327 VanDerWaalsContact O-N 3.09Å; N324-D328 PolarHBondContact O-N 3Å
325C92.7Very high86.6Confident3 Ų351.1 Ų51.12%0.0226%0.259CS..Hα-helixtrans-59.3-39.9179.4-63.30000111.9I232 L233 L321 I322 D328 L329I232-C325 HydrophobicContact CB-CB 3.96Å; I232-C325 HydrophobicContact CD1-CB 4.26Å; I232-C325 HydrophobicContact CG2-CB 3.59Å; I232-C325 WeakPolarHBondContact CG2-O 3.49Å; L233-C325 HydrophobicContact CD2-CB 4.46Å; L321-C325 PolarHBondContact O-N 2.94Å; L321-C325 PolarHBondContact O-SG 3.35Å; I322-C325 PolarHBondContact O-N 3.47Å; C325-D328 PolarHBondContact O-N 3.13Å; C325-L329 WeakPolarHBondContact O-CB 3.27Å; C325-L329 PolarHBondContact O-N 3.33Å
326I93.3Very high88.5Confident0 Ų044.8 Ų44.80%023%0.229CC..Hα-helixtrans-71-34.2177.8-69.2-70.1000111.6F206 I232 W297 T298 E301 I322 S323 N324 L329 H330F206-I326 HydrophobicContact CE2-CD1 4.14Å; F206-I326 HydrophobicContact CE2-CG1 4.29Å; F206-I326 HydrophobicContact CZ-CD1 4.39Å; F206-I326 HydrophobicContact CZ-CG1 4.28Å; I232-I326 HydrophobicContact CD1-CD1 3.72Å; I232-I326 HydrophobicContact CD1-CG1 3.86Å; I232-I326 HydrophobicContact CG1-CD1 3.96Å; I232-I326 HydrophobicContact CG2-CD1 3.97Å; I232-I326 HydrophobicContact CG2-CG1 4.42Å; W297-I326 HydrophobicContact CE3-CD1 4.12Å; T298-I326 HydrophobicContact CG2-CG2 4.15Å; E301-I326 HydrophobicContact CB-CB 4.49Å; E301-I326 HydrophobicContact CB-CG2 3.74Å; E301-I326 HydrophobicContact CG-CB 4.07Å; E301-I326 HydrophobicContact CG-CG1 4.02Å; E301-I326 HydrophobicContact CG-CG2 3.87Å; I322-I326 HydrophobicContact CG2-CG1 4.24Å; I322-I326 WeakPolarHBondContact O-CB 3.3Å; I322-I326 WeakPolarHBondContact O-CG1 3.4Å; I322-I326 PolarHBondContact O-N 2.87Å; S323-I326 PolarHBondContact O-N 2.98Å; N324-I326 VanDerWaalsContact C-N 3.29Å; N324-I326 PolarHBondContact O-N 3.47Å; I326-L329 HydrophobicContact CD1-CD2 4.17Å; I326-L329 PolarHBondContact O-N 2.91Å; I326-H330 WeakPolarHBondContact O-CB 3.31Å; I326-H330 PolarHBondContact O-N 3.37Å
327S93Very high89.7Confident46 Ų4640.6 Ų40.632%0.32221%0.207SC..Hα-helixtrans-65-42.9173.6-58.50000111.2S323 N324 H330 Y331 R415S323-S327 WeakPolarHBondContact O-CB 3.31Å; S323-S327 PolarHBondContact O-N 3.42Å; S323-S327 PolarHBondContact O-OG 3.32Å; N324-S327 WeakPolarHBondContact O-CB 3.29Å; N324-S327 PolarHBondContact O-N 3.41Å; N324-S327 VanDerWaalsContact O-N 3.09Å; S327-H330 PolarHBondContact O-N 3.14Å; S327-Y331 PolarHBondContact O-N 3.37Å; S327-R415 PolarHBondContact OG-NH2 3.07Å
328D94.2Very high90.4Very high86 Ų8637 Ų3746%0.4620%0.197SC..Hα-helixtrans-64.5-41.6174.7-67-24.4000111.7N324 C325 Y331 E332N324-D328 PolarHBondContact O-N 3Å; C325-D328 PolarHBondContact O-N 3.13Å; D328-Y331 PolarHBondContact O-N 2.89Å; D328-E332 WeakPolarHBondContact O-CB 3.26Å; D328-E332 PolarHBondContact O-N 3.31Å
329L96.1Very high90.8Very high0 Ų036.4 Ų36.40%019%0.188CC..Hα-helixtrans-60.8-45.4174.6176.962.2000111.5I232 I235 S236 L239 L294 W297 T298 C325 I326 E332 L333I232-L329 HydrophobicContact CG2-CB 4.01Å; I232-L329 HydrophobicContact CG2-CD2 4.08Å; I235-L329 HydrophobicContact CB-CD1 4.49Å; I235-L329 HydrophobicContact CG2-CD1 3.77Å; S236-L329 VanDerWaalsContact OG-CA 3.3Å; S236-L329 WeakPolarHBondContact OG-CA 3.38Å; S236-L329 WeakPolarHBondContact OG-CB 3.26Å; L239-L329 HydrophobicContact CD1-CD1 3.63Å; L294-L329 HydrophobicContact CD2-CD1 4.4Å; L294-L329 HydrophobicContact CD2-CD2 4.34Å; W297-L329 HydrophobicContact CE3-CD2 4.03Å; T298-L329 HydrophobicContact CG2-CD2 4.25Å; T298-L329 HydrophobicContact CG2-CG 4.2Å; C325-L329 WeakPolarHBondContact O-CB 3.27Å; C325-L329 PolarHBondContact O-N 3.33Å; I326-L329 HydrophobicContact CD1-CD2 4.17Å; I326-L329 PolarHBondContact O-N 2.91Å; L329-E332 PolarHBondContact O-N 2.93Å; L329-L333 VanDerWaalsContact O-CB 3.27Å; L329-L333 WeakPolarHBondContact O-CB 3.44Å; L329-L333 PolarHBondContact O-N 3.44Å
330H96.4Very high90.5Very high10 Ų1040.5 Ų40.55%0.04622%0.215CC..Hα-helixtrans-59.2-48.9177.6-176.672.3000110.8T298 I326 S327 E332 L333 L334 E418T298-H330 WeakPolarHBondContact CB-ND1 3.48Å; T298-H330 HydrophobicContact CG2-CB 3.71Å; T298-H330 PolarHBondContact OG1-ND1 3.41Å; I326-H330 WeakPolarHBondContact O-CB 3.31Å; I326-H330 PolarHBondContact O-N 3.37Å; S327-H330 PolarHBondContact O-N 3.14Å; H330-E332 PolarHBondContact O-N 3.02Å; H330-L333 WeakPolarHBondContact O-CB 3.5Å; H330-L333 PolarHBondContact O-N 3.47Å; H330-L334 WeakPolarHBondContact NE2-CD1 3.47Å; H330-L334 WeakPolarHBondContact O-CG 3.42Å; H330-L334 PolarHBondContact O-N 2.9Å; H330-E418 IonicContact CD2-OE2 2.57Å; H330-E418 IonicContact NE2-OE2 2.78Å; H330-E418 PolarHBondContact NE2-OE2 2.85Å
331Y96.6Very high89.6Confident139 Ų13935.5 Ų35.555%0.54519%0.194SC..Hα-helixtrans-59.4-48177.7178.5-104.7000112.5S327 D328 L333 L334 Q335S327-Y331 PolarHBondContact O-N 3.37Å; D328-Y331 PolarHBondContact O-N 2.89Å; Y331-L333 VanDerWaalsContact C-N 3.34Å; Y331-L333 PolarHBondContact O-N 3.48Å; Y331-L334 PolarHBondContact O-N 2.97Å; Y331-Q335 HydrophobicContact CD1-CG 4.49Å; Y331-Q335 HydrophobicContact CE1-CG 4.14Å; Y331-Q335 WeakPolarHBondContact O-CG 3.42Å; Y331-Q335 PolarHBondContact O-N 3.01Å; Y331-Q335 PolarHBondContact OH-NE2 3.22Å
332E94.9Very high88.4Confident1 Ų135 Ų351%0.00520%0.195CC..Hα-helixtrans-65.8-37.4179.3-165.272.6-134.600111.6L239 R240 R243 D328 L329 H330 Q335 C336L239-E332 HydrophobicContact CB-CG 3.77Å; R240-E332 WeakPolarHBondContact CA-OE1 3.24Å; R240-E332 HydrophobicContact CB-CG 4.21Å; R240-E332 IonicContact CZ-OE2 3.9Å; R240-E332 IonicContact NE-OE2 2.77Å; R240-E332 PolarHBondContact NE-OE2 3.35Å; R240-E332 IonicContact NH2-OE2 2.99Å; R240-E332 PolarHBondContact NH2-OE2 2.96Å; R243-E332 IonicContact CZ-OE1 3.31Å; R243-E332 VanDerWaalsContact CZ-OE1 3.26Å; R243-E332 IonicContact NE-OE1 2.64Å; R243-E332 PolarHBondContact NE-OE1 3.32Å; R243-E332 IonicContact NH2-OE1 3.81Å; R243-E332 PolarHBondContact NH2-OE1 3.41Å; R243-E332 IonicContact NH2-OE2 3.97Å; D328-E332 WeakPolarHBondContact O-CB 3.26Å; D328-E332 PolarHBondContact O-N 3.31Å; L329-E332 PolarHBondContact O-N 2.93Å; H330-E332 PolarHBondContact O-N 3.02Å; E332-Q335 WeakPolarHBondContact O-CB 3.41Å; E332-Q335 PolarHBondContact O-N 3.29Å; E332-Q335 PolarHBondContact OE1-OE1 2.76Å; E332-C336 PolarHBondContact O-N 3.37Å; E332-C336 PolarHBondContact O-SG 2.73Å
333L96.1Very high86.5Confident0 Ų041.8 Ų41.80%023%0.231CC..Hα-helixtrans-59.4-48.2172.4175.463000111L294 M295 L329 H330 Y331 Q335 C336 L337 W361L294-L333 HydrophobicContact CB-CD1 4.29Å; L294-L333 HydrophobicContact CB-CD2 3.86Å; L294-L333 HydrophobicContact CD1-CD1 4.1Å; M295-L333 HydrophobicContact CB-CD2 4.27Å; M295-L333 HydrophobicContact SD-CD2 4.17Å; L329-L333 VanDerWaalsContact O-CB 3.27Å; L329-L333 WeakPolarHBondContact O-CB 3.44Å; L329-L333 PolarHBondContact O-N 3.44Å; H330-L333 WeakPolarHBondContact O-CB 3.5Å; H330-L333 PolarHBondContact O-N 3.47Å; Y331-L333 VanDerWaalsContact C-N 3.34Å; Y331-L333 PolarHBondContact O-N 3.48Å; L333-Q335 VanDerWaalsContact C-N 3.3Å; L333-Q335 PolarHBondContact O-N 3.33Å; L333-C336 WeakPolarHBondContact O-CB 3.48Å; L333-C336 PolarHBondContact O-N 3.42Å; L333-L337 HydrophobicContact CD1-CD1 3.85Å; L333-L337 HydrophobicContact CD1-CG 4.2Å; L333-L337 HydrophobicContact CG-CD1 3.83Å; L333-L337 VanDerWaalsContact O-CG 3.29Å; L333-L337 WeakPolarHBondContact O-CG 3.26Å; L333-L337 PolarHBondContact O-N 3.32Å; L333-W361 HydrophobicContact CD1-CZ3 3.88Å
334L95.8Very high84.1Confident15 Ų1544.9 Ų44.98%0.07925%0.253CS..Hα-helixtrans-59.8-40.7176.5-70.5-170.9000111.8H330 Y331 L337 S338 E418 F419 I422H330-L334 WeakPolarHBondContact NE2-CD1 3.47Å; H330-L334 WeakPolarHBondContact O-CG 3.42Å; H330-L334 PolarHBondContact O-N 2.9Å; Y331-L334 PolarHBondContact O-N 2.97Å; L334-L337 CarbonylContact O-C 2.92Å; L334-L337 PolarHBondContact O-N 2.73Å; L334-S338 WeakPolarHBondContact O-CB 3.39Å; L334-S338 PolarHBondContact O-N 3.44Å; L334-E418 HydrophobicContact CD1-CB 3.85Å; L334-F419 HydrophobicContact CD2-CB 4.18Å; L334-I422 HydrophobicContact CB-CD1 3.85Å; L334-I422 HydrophobicContact CD1-CD1 3.9Å; L334-I422 HydrophobicContact CD2-CD1 3.79Å; L334-I422 HydrophobicContact CG-CD1 4.04Å
335Q93.2Very high81.5Confident42 Ų4244.5 Ų44.520%0.19626%0.257CS..Hα-helixtrans-61.2-45.6174.7-71.6-170-15.100111.9R243 Y331 E332 L333 L337 S338R243-Q335 VanDerWaalsContact NE-OE1 3.14Å; Y331-Q335 HydrophobicContact CD1-CG 4.49Å; Y331-Q335 HydrophobicContact CE1-CG 4.14Å; Y331-Q335 WeakPolarHBondContact O-CG 3.42Å; Y331-Q335 PolarHBondContact O-N 3.01Å; Y331-Q335 PolarHBondContact OH-NE2 3.22Å; E332-Q335 WeakPolarHBondContact O-CB 3.41Å; E332-Q335 PolarHBondContact O-N 3.29Å; E332-Q335 PolarHBondContact OE1-OE1 2.76Å; L333-Q335 VanDerWaalsContact C-N 3.3Å; L333-Q335 PolarHBondContact O-N 3.33Å; Q335-L337 PolarHBondContact O-N 3.46Å; Q335-S338 PolarHBondContact O-N 3.3Å; Q335-S338 PolarHBondContact O-OG 2.85Å
336C91.8Very high78.5Confident0 Ų052.7 Ų52.70%029%0.294CS..Hα-helixtrans-60.9-35.6177.2-64.60000112.1E332 L333 F358 R428E332-C336 PolarHBondContact O-N 3.37Å; E332-C336 PolarHBondContact O-SG 2.73Å; L333-C336 WeakPolarHBondContact O-CB 3.48Å; L333-C336 PolarHBondContact O-N 3.42Å; C336-F358 HydrophobicContact CB-CD1 4.24Å; C336-F358 HydrophobicContact CB-CD2 3.75Å; C336-F358 HydrophobicContact CB-CE1 4.22Å; C336-F358 HydrophobicContact CB-CE2 3.8Å; C336-F358 HydrophobicContact CB-CG 4.04Å; C336-F358 HydrophobicContact CB-CZ 4.04Å; C336-F358 WeakPolarHBondContact SG-CE2 3.4Å; C336-F358 VanDerWaalsContact SG-CZ 3.58Å; C336-R428 PolarHBondContact O-NH2 3.44Å
337L92.2Very high75.5Confident1 Ų163.9 Ų63.91%0.00534%0.336CS..Hα-helixtrans-81.8-24.6178.3-65168.1000113.4P291 L333 L334 Q335 E339 W361 F419 I422 S426 R428P291-L337 HydrophobicContact CB-CD2 4.1Å; L333-L337 HydrophobicContact CD1-CD1 3.85Å; L333-L337 HydrophobicContact CD1-CG 4.2Å; L333-L337 HydrophobicContact CG-CD1 3.83Å; L333-L337 VanDerWaalsContact O-CG 3.29Å; L333-L337 WeakPolarHBondContact O-CG 3.26Å; L333-L337 PolarHBondContact O-N 3.32Å; L334-L337 CarbonylContact O-C 2.92Å; L334-L337 PolarHBondContact O-N 2.73Å; Q335-L337 PolarHBondContact O-N 3.46Å; L337-E339 PolarHBondContact O-N 3.4Å; L337-W361 HydrophobicContact CD2-CE3 4.16Å; L337-F419 HydrophobicContact CD1-CD2 3.55Å; L337-F419 HydrophobicContact CD1-CE2 3.43Å; L337-F419 VanDerWaalsContact CD1-CE2 3.43Å; L337-I422 HydrophobicContact CB-CG2 3.81Å; L337-S426 VanDerWaalsContact O-CB 3.24Å; L337-S426 WeakPolarHBondContact O-CB 3.44Å; L337-S426 PolarHBondContact O-OG 2.99Å; L337-S426 VanDerWaalsContact O-OG 3.12Å; L337-R428 PolarHBondContact O-NE 2.88Å
338S89.8Confident72.4Confident68 Ų6871.2 Ų71.248%0.47637%0.365SS..Hα-helixtrans-67.7-24179.474.80000113.1L334 Q335L334-S338 WeakPolarHBondContact O-CB 3.39Å; L334-S338 PolarHBondContact O-N 3.44Å; Q335-S338 PolarHBondContact O-N 3.3Å; Q335-S338 PolarHBondContact O-OG 2.85Å
339E80.2Confident69.2Low49 Ų4970.4 Ų70.423%0.22938%0.377CS..SBendtrans-61.3133.2174.8-67.9-176.4-14500110.7R243 K246 L337 A341 R428R243-E339 WeakPolarHBondContact CG-OE1 3.28Å; K246-E339 IonicContact NZ-OE1 2.63Å; K246-E339 PolarHBondContact NZ-OE1 3.06Å; K246-E339 IonicContact NZ-OE2 2.84Å; K246-E339 PolarHBondContact NZ-OE2 3Å; L337-E339 PolarHBondContact O-N 3.4Å; E339-A341 PolarHBondContact O-N 3.29Å; E339-R428 PolarHBondContact O-NH2 3.38Å
340P71.4Confident66.2Low109 Ų10976.7 Ų76.771%0.70842%0.421SS*.PPolyproline II helixtrans-59.9131.5179.523.7-31.9000110S342P340-S342 PolarHBondContact O-N 3.29Å
341A64.3Low63Low6 Ų678.7 Ų78.75%0.0545%0.445CS..PPolyproline II helixtrans-58.6129170.100000108.8E339 L343 L362 S426E339-A341 PolarHBondContact O-N 3.29Å; A341-L343 PolarHBondContact O-N 3.31Å; A341-L362 HydrophobicContact CB-CD2 3.77Å; A341-S426 PolarHBondContact N-O 3.18Å
342S59.7Low59.9Low44 Ų4478.3 Ų78.331%0.30846%0.457SS..  trans-59.9107.1176.458.80000109.4P340 S344 S359P340-S342 PolarHBondContact O-N 3.29Å; S342-S344 VanDerWaalsContact C-N 3.27Å; S342-S359 VanDerWaalsContact OG-CB 3.27Å; S342-S359 WeakPolarHBondContact OG-CB 3.25Å; S342-S359 PolarHBondContact OG-OG 2.91Å
343L47.4Very low57.1Low151 Ų15182.2 Ų82.279%0.79148%0.482SS*.  trans-80.6-8.1177.7-72.9167000112.7A341 S345A341-L343 PolarHBondContact O-N 3.31Å; L343-S345 PolarHBondContact O-N 3.38Å
344S37.7Very low54.3Low88 Ų8884 Ų8462%0.61550%0.5SS*.THydrogen-bonded Turntrans-88.778.5-171.760.30000112.9S342S342-S344 VanDerWaalsContact C-N 3.27Å
345S33.9Very low51.6Low77 Ų7788.2 Ų88.254%0.53853%0.528SS..THydrogen-bonded Turntrans-158.79.9150.386.60000117.1L343L343-S345 PolarHBondContact O-N 3.38Å
346H31.6Very low49.5Very low175 Ų17587.8 Ų87.881%0.8153%0.53SS*.SBendtrans-111.310.1175.4-72-18.2000115.3
347R28.7Very low48.1Very low234 Ų23488.2 Ų88.288%0.88354%0.535SS*.SBendtrans-122.598.3168.8-74.7-172.9175.7-171.4-0.5109.5
348H29.2Very low47.5Very low200 Ų20088.2 Ų88.293%0.92653%0.534SS*.SBendtrans41.5103.7158.5-61.6-71.7000117.4
349G26.5Very low46.7Very low69 Ų6985.9 Ų85.971%0.71152%0.518SS*.SBendtrans130.3145162.200000112G351G349-G351 PolarHBondContact O-N 3.45Å
350S33.7Very low46.6Very low133 Ų13386.9 Ų86.993%0.9353%0.528SS*.  trans-62.839.4-172.6-24.10000115V352S350-V352 PolarHBondContact O-N 3.05Å
351G28.2Very low47.4Very low52 Ų5282.2 Ų82.254%0.53650%0.496SS..  trans-76.1104.5175.200000109.6G349G349-G351 PolarHBondContact O-N 3.45Å
352V31Very low48.6Very low131 Ų13183.9 Ų83.979%0.79450%0.504SS*.PPolyproline II helixtrans-47.6124162.3-179.20000106.9S350 G354S350-V352 PolarHBondContact O-N 3.05Å; V352-G354 PolarHBondContact O-N 2.75Å; V352-G354 VanDerWaalsContact O-N 3.14Å
353P35.8Very low50Low82 Ų8281.9 Ų81.953%0.53249%0.49SS..PPolyproline II helixtrans-50.9127.8175.614.7-24.4000107.9
354G37.3Very low52Low37 Ų3777 Ų7738%0.38147%0.467SS..PPolyproline II helixtrans-48.4136177.600000109V352 S356V352-G354 PolarHBondContact O-N 2.75Å; V352-G354 VanDerWaalsContact O-N 3.14Å; G354-S356 PolarHBondContact O-N 3.38Å; G354-S356 PolarHBondContact O-OG 3.41Å
355P40.1Very low54.3Low104 Ų10472.9 Ų72.968%0.67544%0.437SS*.  trans-71.181.7-171.829-34000109
356S48.7Very low56.6Low34 Ų3470.1 Ų70.124%0.23842%0.418CS..  trans-116.6107.4-168.256.10000111G354 F358 S359G354-S356 PolarHBondContact O-N 3.38Å; G354-S356 PolarHBondContact O-OG 3.41Å; S356-F358 PolarHBondContact O-N 2.89Å; S356-S359 PolarHBondContact O-N 2.69Å; S356-S359 PolarHBondContact O-OG 3.06Å; S356-S359 WeakPolarHBondContact OG-CB 3.29Å; S356-S359 PolarHBondContact OG-OG 2.91Å
357G62.2Low58.3Low9 Ų966.1 Ų66.19%0.09340%0.396CS..THydrogen-bonded Turntrans-67.314.3-177.400000116.9T259T259-G357 WeakPolarHBondContact CB-O 3.41Å; T259-G357 VanDerWaalsContact CG2-O 3.22Å; T259-G357 WeakPolarHBondContact CG2-O 3.2Å; T259-G357 WeakPolarHBondContact OG1-CA 3.41Å; T259-G357 PolarHBondContact OG1-O 2.85Å
358F80Confident60.1Low0 Ų063.2 Ų63.20%039%0.39CS..THydrogen-bonded Turntrans-145.52.3165.6-68.8-65.8000112.7L239 R243 K246 T259 C336 S356 T360 W361 R428L239-F358 HydrophobicContact CD2-CE1 3.79Å; L239-F358 HydrophobicContact CD2-CZ 3.78Å; R243-F358 HydrophobicContact CB-CE2 4.19Å; K246-F358 VanDerWaalsContact NZ-CD2 3.28Å; T259-F358 HydrophobicContact CG2-CD1 3.75Å; T259-F358 HydrophobicContact CG2-CE1 3.28Å; T259-F358 HydrophobicContact CG2-CZ 3.83Å; C336-F358 HydrophobicContact CB-CD1 4.24Å; C336-F358 HydrophobicContact CB-CD2 3.75Å; C336-F358 HydrophobicContact CB-CE1 4.22Å; C336-F358 HydrophobicContact CB-CE2 3.8Å; C336-F358 HydrophobicContact CB-CG 4.04Å; C336-F358 HydrophobicContact CB-CZ 4.04Å; C336-F358 WeakPolarHBondContact SG-CE2 3.4Å; C336-F358 VanDerWaalsContact SG-CZ 3.58Å; S356-F358 PolarHBondContact O-N 2.89Å; F358-T360 PolarHBondContact O-N 2.73Å; F358-W361 AromaticContact CD1-CD2 3.62Å; F358-W361 HydrophobicContact CD1-CD2 3.62Å; F358-W361 AromaticContact CD1-CE2 3.7Å; F358-W361 AromaticContact CD1-CE3 3.57Å; F358-W361 HydrophobicContact CD1-CE3 3.57Å; F358-W361 HydrophobicContact CD1-CG 4.35Å; F358-W361 AromaticContact CD1-CH2 3.82Å; F358-W361 HydrophobicContact CD1-CH2 3.82Å; F358-W361 AromaticContact CD1-CZ2 3.82Å; F358-W361 HydrophobicContact CD1-CZ2 3.82Å; F358-W361 AromaticContact CD1-CZ3 3.68Å; F358-W361 HydrophobicContact CD1-CZ3 3.68Å; F358-W361 HydrophobicContact CE1-CD2 4.27Å; F358-W361 HydrophobicContact CE1-CE3 4.07Å; F358-W361 AromaticContact CE1-CH2 3.45Å; F358-W361 HydrophobicContact CE1-CH2 3.45Å; F358-W361 VanDerWaalsContact CE1-CH2 3.45Å; F358-W361 AromaticContact CE1-CZ2 3.62Å; F358-W361 HydrophobicContact CE1-CZ2 3.62Å; F358-W361 AromaticContact CE1-CZ3 3.67Å; F358-W361 HydrophobicContact CE1-CZ3 3.67Å; F358-W361 WeakPolarHBondContact O-CB 3.29Å; F358-W361 PolarHBondContact O-N 2.88Å; F358-W361 VanDerWaalsContact O-N 3.1Å; F358-R428 PolarHBondContact O-NH1 3.05Å
359S72.3Confident61.6Low19 Ų1962.3 Ų62.313%0.13339%0.388CS..THydrogen-bonded Turntrans-68.1-20.6-177.565.80000113.2S342 S356 W361 L362S342-S359 VanDerWaalsContact OG-CB 3.27Å; S342-S359 WeakPolarHBondContact OG-CB 3.25Å; S342-S359 PolarHBondContact OG-OG 2.91Å; S356-S359 PolarHBondContact O-N 2.69Å; S356-S359 PolarHBondContact O-OG 3.06Å; S356-S359 WeakPolarHBondContact OG-CB 3.29Å; S356-S359 PolarHBondContact OG-OG 2.91Å; S359-W361 VanDerWaalsContact C-N 3.28Å; S359-L362 WeakPolarHBondContact O-CG 3.45Å
360T78.9Confident63.6Low70 Ų7066.5 Ų66.543%0.42939%0.389SS..THydrogen-bonded Turntrans-75.8-14.5175.649.20000113T259 F358 L362T259-T360 PolarHBondContact O-OG1 3.4Å; F358-T360 PolarHBondContact O-N 2.73Å; T360-L362 PolarHBondContact O-N 2.66Å
361W88.5Confident65.6Low12 Ų1265 Ų655%0.04536%0.364CS..  trans-78.969.5175.4-71.312.4000110.3L239 W258 T259 P290 P291 L294 L333 L337 F358 S359 R428L239-W361 HydrophobicContact CD2-CH2 3.64Å; L239-W361 HydrophobicContact CD2-CZ3 4.15Å; W258-W361 HydrophobicContact CH2-CH2 4.17Å; W258-W361 HydrophobicContact CH2-CZ2 4.06Å; W258-W361 HydrophobicContact CZ3-CH2 4.46Å; W258-W361 AromaticContact CZ3-CZ2 3.96Å; W258-W361 HydrophobicContact CZ3-CZ2 3.96Å; T259-W361 HydrophobicContact CG2-CZ2 4.1Å; T259-W361 PolarHBondContact O-NE1 3Å; P290-W361 HydrophobicContact CB-CH2 4.47Å; P290-W361 HydrophobicContact CB-CZ2 3.89Å; P291-W361 HydrophobicContact CB-CD2 4.28Å; P291-W361 HydrophobicContact CB-CE3 3.77Å; P291-W361 HydrophobicContact CB-CZ3 4.19Å; P291-W361 HydrophobicContact CG-CB 4.13Å; P291-W361 HydrophobicContact CG-CD2 4.13Å; P291-W361 HydrophobicContact CG-CE3 4.13Å; P291-W361 HydrophobicContact CG-CG 4.17Å; L294-W361 HydrophobicContact CD1-CH2 4.07Å; L333-W361 HydrophobicContact CD1-CZ3 3.88Å; L337-W361 HydrophobicContact CD2-CE3 4.16Å; F358-W361 AromaticContact CD1-CD2 3.62Å; F358-W361 HydrophobicContact CD1-CD2 3.62Å; F358-W361 AromaticContact CD1-CE2 3.7Å; F358-W361 AromaticContact CD1-CE3 3.57Å; F358-W361 HydrophobicContact CD1-CE3 3.57Å; F358-W361 HydrophobicContact CD1-CG 4.35Å; F358-W361 AromaticContact CD1-CH2 3.82Å; F358-W361 HydrophobicContact CD1-CH2 3.82Å; F358-W361 AromaticContact CD1-CZ2 3.82Å; F358-W361 HydrophobicContact CD1-CZ2 3.82Å; F358-W361 AromaticContact CD1-CZ3 3.68Å; F358-W361 HydrophobicContact CD1-CZ3 3.68Å; F358-W361 HydrophobicContact CE1-CD2 4.27Å; F358-W361 HydrophobicContact CE1-CE3 4.07Å; F358-W361 AromaticContact CE1-CH2 3.45Å; F358-W361 HydrophobicContact CE1-CH2 3.45Å; F358-W361 VanDerWaalsContact CE1-CH2 3.45Å; F358-W361 AromaticContact CE1-CZ2 3.62Å; F358-W361 HydrophobicContact CE1-CZ2 3.62Å; F358-W361 AromaticContact CE1-CZ3 3.67Å; F358-W361 HydrophobicContact CE1-CZ3 3.67Å; F358-W361 WeakPolarHBondContact O-CB 3.29Å; F358-W361 PolarHBondContact O-N 2.88Å; F358-W361 VanDerWaalsContact O-N 3.1Å; S359-W361 VanDerWaalsContact C-N 3.28Å; W361-R428 PolarHBondContact O-NH1 3.32Å
362L88.5Confident68.3Low40 Ų4063.8 Ų63.821%0.20935%0.346CS..  trans-101.7141.9176.9-59.6172.8000109.4A341 S359 T360A341-L362 HydrophobicContact CB-CD2 3.77Å; S359-L362 WeakPolarHBondContact O-CG 3.45Å; T360-L362 PolarHBondContact O-N 2.66Å
363L90.3Very high70.8Confident2 Ų260.5 Ų60.51%0.0132%0.321CS..EExtended strand (participates in β ladder)trans-107.682.4176.8-55179000107.9P291 L292 C365 E374 L378 F419 C423 R428 I429 R430P291-L363 HydrophobicContact CG-CD2 4.3Å; L292-L363 HydrophobicContact CD1-CD2 4.12Å; L292-L363 HydrophobicContact CD2-CD1 4.15Å; L292-L363 HydrophobicContact CD2-CD2 4.03Å; L292-L363 HydrophobicContact CG-CD2 3.89Å; L363-C365 PolarHBondContact O-N 3.47Å; L363-C365 VanDerWaalsContact O-N 3.12Å; L363-C365 PolarHBondContact O-SG 3.27Å; L363-E374 HydrophobicContact CB-CB 4.49Å; L363-E374 HydrophobicContact CD2-CG 4.44Å; L363-L378 HydrophobicContact CD1-CD1 4.37Å; L363-F419 HydrophobicContact CD1-CE1 4.25Å; L363-F419 HydrophobicContact CD1-CZ 3.88Å; L363-C423 HydrophobicContact CD1-CB 4.34Å; L363-R428 PolarHBondContact N-O 2.96Å; L363-I429 HydrophobicContact CB-CG1 4.29Å; L363-I429 HydrophobicContact CD1-CG1 4.11Å; L363-I429 WeakPolarHBondContact O-CA 3.28Å; L363-R430 PolarHBondContact O-N 3.12Å
364T88.5Confident73.3Confident50 Ų5058 Ų5831%0.30730%0.302SS..EExtended strand (participates in β ladder)trans-72.2106.8177.8-57.50000109.1T372 N431T364-T372 WeakPolarHBondContact O-CB 3.33Å; T364-T372 WeakPolarHBondContact O-CG2 3.46Å; T364-T372 PolarHBondContact O-OG1 2.86Å; T364-T372 VanDerWaalsContact O-OG1 3.05Å; T364-N431 WeakPolarHBondContact CG2-ND2 3.38Å
365C86.9Confident75.8Confident0 Ų056.2 Ų56.20%028%0.284CS..  trans-112.5110.5-173.2-66.90000109.7L363 T372 F375 L378 I429 R430 N431 L432L363-C365 PolarHBondContact O-N 3.47Å; L363-C365 VanDerWaalsContact O-N 3.12Å; L363-C365 PolarHBondContact O-SG 3.27Å; C365-T372 WeakPolarHBondContact CA-OG1 3.38Å; C365-F375 HydrophobicContact CB-CB 4.17Å; C365-F375 HydrophobicContact CB-CD2 3.81Å; C365-F375 HydrophobicContact CB-CG 4.41Å; C365-L378 VanDerWaalsContact SG-CD1 3.6Å; C365-I429 HydrophobicContact CB-CG2 4.45Å; C365-R430 WeakPolarHBondContact CA-O 3.48Å; C365-R430 WeakPolarHBondContact CB-O 3.42Å; C365-R430 PolarHBondContact N-O 3.18Å; C365-R430 VanDerWaalsContact O-O 3.12Å; C365-N431 CarbonylContact O-C 3.57Å; C365-N431 VanDerWaalsContact O-CB 3.3Å; C365-N431 WeakPolarHBondContact O-CB 3.47Å; C365-L432 HydrophobicContact CB-CB 3.98Å; C365-L432 HydrophobicContact CB-CD1 4.19Å; C365-L432 HydrophobicContact CB-CD2 4.43Å; C365-L432 HydrophobicContact CB-CG 4.45Å; C365-L432 PolarHBondContact O-N 3.42Å
366S81.7Confident78Confident20 Ų2054.5 Ų54.514%0.1427%0.265CS..  trans-128138.1172.2151.30000110.3K368 M369 E370 Y371 T372S366-K368 PolarHBondContact OG-N 2.94Å; S366-M369 PolarHBondContact OG-N 3.48Å; S366-E370 CarbonylContact C-O 3.58Å; S366-E370 PolarHBondContact OG-O 3.39Å; S366-E370 VanDerWaalsContact OG-O 3.04Å; S366-Y371 WeakPolarHBondContact O-CA 3.36Å; S366-T372 PolarHBondContact N-OG1 2.9Å; S366-T372 PolarHBondContact O-N 3.34Å; S366-T372 PolarHBondContact O-OG1 3.41Å
367R68.3Low79.9Confident91 Ų9153.5 Ų53.534%0.34326%0.256SS..SBendtrans-102.2-23.4165.5-77-174.4171.7179.50.4113.5F375 E379R367-F375 HydrophobicContact CG-CD1 3.96Å; R367-F375 HydrophobicContact CG-CE1 3.58Å; R367-F375 HydrophobicContact CG-CZ 3.9Å; R367-E379 IonicContact CZ-OE1 3.97Å; R367-E379 IonicContact NH2-OE1 3.41Å; R367-E379 PolarHBondContact NH2-OE1 2.85Å
368K66.3Low81.3Confident173 Ų17353.1 Ų53.175%0.75225%0.251SS*.SBendtrans-90.4-31.3-162.1-67-178.5-177.2173.60115.2S366 E436S366-K368 PolarHBondContact OG-N 2.94Å; K368-E436 WeakPolarHBondContact CE-OE1 3.41Å
369M59.5Low81.8Confident181 Ų18155.9 Ų55.989%0.89227%0.265SS*.SBendtrans-103.1-60.6-177.9-76.5-88.6-179.200110.2S366S366-M369 PolarHBondContact OG-N 3.48Å
370E68.3Low82.6Confident157 Ų15756 Ų5673%0.73427%0.265SS*.SBendtrans-137.4138.6171.6-69.4176.8168.400107.1S366 T372S366-E370 CarbonylContact C-O 3.58Å; S366-E370 PolarHBondContact OG-O 3.39Å; S366-E370 VanDerWaalsContact OG-O 3.04Å; E370-T372 PolarHBondContact O-N 2.99Å
371Y76.3Confident83.3Confident101 Ų10152.7 Ų52.740%0.39625%0.245SC..  trans-70.198.2173.3-169.8-89.6000107.8S366 F375 Y376 E379S366-Y371 WeakPolarHBondContact O-CA 3.36Å; Y371-F375 AromaticContact CD2-CD1 3.94Å; Y371-F375 HydrophobicContact CD2-CD1 3.94Å; Y371-F375 HydrophobicContact CD2-CE1 4.36Å; Y371-F375 HydrophobicContact CE1-CD1 4.25Å; Y371-F375 AromaticContact CE2-CD1 3.34Å; Y371-F375 HydrophobicContact CE2-CD1 3.34Å; Y371-F375 AromaticContact CE2-CE1 3.52Å; Y371-F375 HydrophobicContact CE2-CE1 3.52Å; Y371-F375 AromaticContact CZ-CD1 3.51Å; Y371-F375 AromaticContact CZ-CE1 3.88Å; Y371-Y376 VanDerWaalsContact CE1-CA 3.42Å; Y371-Y376 VanDerWaalsContact CE1-CB 3.47Å; Y371-Y376 AromaticContact CE1-CD2 3.78Å; Y371-Y376 HydrophobicContact CE1-CD2 3.78Å; Y371-Y376 HydrophobicContact CE1-CG 4.1Å; Y371-Y376 WeakPolarHBondContact OH-CA 3.42Å; Y371-E379 VanDerWaalsContact OH-CD 3.29Å; Y371-E379 PolarHBondContact OH-OE2 3.41Å
372T85.2Confident83.5Confident26 Ų2652.2 Ų52.216%0.1624%0.243CC..  trans-66.8144.5-173.848.30000110.9T364 C365 S366 E370 E374 F375 Y376T364-T372 WeakPolarHBondContact O-CB 3.33Å; T364-T372 WeakPolarHBondContact O-CG2 3.46Å; T364-T372 PolarHBondContact O-OG1 2.86Å; T364-T372 VanDerWaalsContact O-OG1 3.05Å; C365-T372 WeakPolarHBondContact CA-OG1 3.38Å; S366-T372 PolarHBondContact N-OG1 2.9Å; S366-T372 PolarHBondContact O-N 3.34Å; S366-T372 PolarHBondContact O-OG1 3.41Å; E370-T372 PolarHBondContact O-N 2.99Å; T372-E374 VanDerWaalsContact C-N 3.28Å; T372-E374 PolarHBondContact O-N 3.48Å; T372-F375 WeakPolarHBondContact O-CA 3.3Å; T372-F375 WeakPolarHBondContact O-CB 3.39Å; T372-F375 PolarHBondContact O-N 2.85Å; T372-F375 WeakPolarHBondContact OG1-CB 3.32Å; T372-Y376 PolarHBondContact O-N 3.49Å
373K83.4Confident83.7Confident62 Ų6253 Ų5327%0.2725%0.25SC..Hα-helixtrans-57.7-38177.667.7-177.5-176.7170.40113M285 Q287 F375 Y376 Y377M285-K373 WeakPolarHBondContact O-CD 3.41Å; M285-K373 WeakPolarHBondContact O-CE 3.46Å; M285-K373 PolarHBondContact O-NZ 2.95Å; Q287-K373 PolarHBondContact O-NZ 3.1Å; K373-F375 PolarHBondContact O-N 2.97Å; K373-Y376 VanDerWaalsContact O-CB 3.31Å; K373-Y376 WeakPolarHBondContact O-CB 3.48Å; K373-Y376 PolarHBondContact O-N 2.87Å; K373-Y376 VanDerWaalsContact O-N 3.17Å; K373-Y377 HydrophobicContact CB-CE2 4.5Å; K373-Y377 WeakPolarHBondContact O-CD2 3.4Å; K373-Y377 PolarHBondContact O-N 3.45Å
374E88.2Confident83.8Confident30 Ų3054.7 Ų54.714%0.1426%0.257CS..Hα-helixtrans-60.7-41.6178.7-67.170.4-164.500109.8P289 L363 T372 Y377 L378P289-E374 HydrophobicContact CG-CG 3.85Å; L363-E374 HydrophobicContact CB-CB 4.49Å; L363-E374 HydrophobicContact CD2-CG 4.44Å; T372-E374 VanDerWaalsContact C-N 3.28Å; T372-E374 PolarHBondContact O-N 3.48Å; E374-Y377 PolarHBondContact O-N 3.25Å; E374-L378 WeakPolarHBondContact O-CG 3.35Å; E374-L378 PolarHBondContact O-N 3.05Å; E374-L378 VanDerWaalsContact O-N 3.09Å
375F89.8Confident83.9Confident0 Ų052.3 Ų52.30%024%0.243CC..Hα-helixtrans-67.1-41.5175.8-169.3-98.4000112.2C365 R367 Y371 T372 K373 Y377 L378 E379 L432 L440C365-F375 HydrophobicContact CB-CB 4.17Å; C365-F375 HydrophobicContact CB-CD2 3.81Å; C365-F375 HydrophobicContact CB-CG 4.41Å; R367-F375 HydrophobicContact CG-CD1 3.96Å; R367-F375 HydrophobicContact CG-CE1 3.58Å; R367-F375 HydrophobicContact CG-CZ 3.9Å; Y371-F375 AromaticContact CD2-CD1 3.94Å; Y371-F375 HydrophobicContact CD2-CD1 3.94Å; Y371-F375 HydrophobicContact CD2-CE1 4.36Å; Y371-F375 HydrophobicContact CE1-CD1 4.25Å; Y371-F375 AromaticContact CE2-CD1 3.34Å; Y371-F375 HydrophobicContact CE2-CD1 3.34Å; Y371-F375 AromaticContact CE2-CE1 3.52Å; Y371-F375 HydrophobicContact CE2-CE1 3.52Å; Y371-F375 AromaticContact CZ-CD1 3.51Å; Y371-F375 AromaticContact CZ-CE1 3.88Å; T372-F375 WeakPolarHBondContact O-CA 3.3Å; T372-F375 WeakPolarHBondContact O-CB 3.39Å; T372-F375 PolarHBondContact O-N 2.85Å; T372-F375 WeakPolarHBondContact OG1-CB 3.32Å; K373-F375 PolarHBondContact O-N 2.97Å; F375-Y377 PolarHBondContact O-N 2.9Å; F375-L378 PolarHBondContact O-N 3.37Å; F375-E379 HydrophobicContact CE1-CB 4.41Å; F375-E379 WeakPolarHBondContact O-CB 3.48Å; F375-E379 PolarHBondContact O-N 3.09Å; F375-L432 HydrophobicContact CD2-CD1 4.02Å; F375-L432 HydrophobicContact CE2-CD1 3.67Å; F375-L432 HydrophobicContact CE2-CD2 4.42Å; F375-L440 HydrophobicContact CE2-CD1 4Å; F375-L440 HydrophobicContact CE2-CD2 4.06Å; F375-L440 HydrophobicContact CE2-CG 4.44Å; F375-L440 HydrophobicContact CZ-CD1 3.94Å
376Y86.3Confident84.2Confident68 Ų6855.1 Ų55.127%0.26726%0.256SS..Hα-helixtrans-52.6-52.3172.4179.8-104000112.1Y371 T372 K373 L378 E379 S380Y371-Y376 VanDerWaalsContact CE1-CA 3.42Å; Y371-Y376 VanDerWaalsContact CE1-CB 3.47Å; Y371-Y376 AromaticContact CE1-CD2 3.78Å; Y371-Y376 HydrophobicContact CE1-CD2 3.78Å; Y371-Y376 HydrophobicContact CE1-CG 4.1Å; Y371-Y376 WeakPolarHBondContact OH-CA 3.42Å; T372-Y376 PolarHBondContact O-N 3.49Å; K373-Y376 VanDerWaalsContact O-CB 3.31Å; K373-Y376 WeakPolarHBondContact O-CB 3.48Å; K373-Y376 PolarHBondContact O-N 2.87Å; K373-Y376 VanDerWaalsContact O-N 3.17Å; Y376-L378 PolarHBondContact O-N 3.46Å; Y376-E379 PolarHBondContact O-N 3.42Å; Y376-S380 VanDerWaalsContact O-CB 3.31Å; Y376-S380 WeakPolarHBondContact O-CB 3.33Å; Y376-S380 PolarHBondContact O-N 3.35Å
377Y88.5Confident84.6Confident12 Ų1258.3 Ų58.35%0.04727%0.268CS..Hα-helixtrans-66.8-37.4-177.3-76.8-66.3000112.3L210 V214 P288 L292 K373 E374 F375 M381L210-Y377 HydrophobicContact CD1-CD1 4.34Å; L210-Y377 HydrophobicContact CD1-CE1 4.12Å; V214-Y377 HydrophobicContact CG2-CE1 4.17Å; P288-Y377 HydrophobicContact CB-CE1 4.26Å; P288-Y377 HydrophobicContact CB-CE2 3.92Å; L292-Y377 HydrophobicContact CD1-CG 4.44Å; K373-Y377 HydrophobicContact CB-CE2 4.5Å; K373-Y377 WeakPolarHBondContact O-CD2 3.4Å; K373-Y377 PolarHBondContact O-N 3.45Å; E374-Y377 PolarHBondContact O-N 3.25Å; F375-Y377 PolarHBondContact O-N 2.9Å; Y377-M381 VanDerWaalsContact O-CB 3.25Å; Y377-M381 WeakPolarHBondContact O-CB 3.45Å; Y377-M381 PolarHBondContact O-N 2.85Å
378L91.8Very high85.5Confident1 Ų154.4 Ų54.41%0.00525%0.254CS..Hα-helixtrans-64.3-46.1174.2-74.2174.5000112.1L292 L363 C365 E374 F375 Y376 M381 I382 F419 M420 L440L292-L378 HydrophobicContact CD1-CG 4.5Å; L292-L378 HydrophobicContact CD2-CD2 3.59Å; L292-L378 HydrophobicContact CD2-CG 4.13Å; L363-L378 HydrophobicContact CD1-CD1 4.37Å; C365-L378 VanDerWaalsContact SG-CD1 3.6Å; E374-L378 WeakPolarHBondContact O-CG 3.35Å; E374-L378 PolarHBondContact O-N 3.05Å; E374-L378 VanDerWaalsContact O-N 3.09Å; F375-L378 PolarHBondContact O-N 3.37Å; Y376-L378 PolarHBondContact O-N 3.46Å; L378-M381 PolarHBondContact O-N 3.42Å; L378-I382 WeakPolarHBondContact O-CG1 3.42Å; L378-I382 PolarHBondContact O-N 2.71Å; L378-F419 HydrophobicContact CD2-CE1 3.94Å; L378-M420 HydrophobicContact CD2-SD 3.95Å; L378-L440 HydrophobicContact CB-CD2 4.45Å
379E91.1Very high86.4Confident59 Ų5946.5 Ų46.528%0.27622%0.221SC..Hα-helixtrans-65.1-41.9178.4-172.9167.9-97.800111.4R367 Y371 F375 Y376 I382 T383 L440R367-E379 IonicContact CZ-OE1 3.97Å; R367-E379 IonicContact NH2-OE1 3.41Å; R367-E379 PolarHBondContact NH2-OE1 2.85Å; Y371-E379 VanDerWaalsContact OH-CD 3.29Å; Y371-E379 PolarHBondContact OH-OE2 3.41Å; F375-E379 HydrophobicContact CE1-CB 4.41Å; F375-E379 WeakPolarHBondContact O-CB 3.48Å; F375-E379 PolarHBondContact O-N 3.09Å; Y376-E379 PolarHBondContact O-N 3.42Å; E379-I382 PolarHBondContact O-N 3.47Å; E379-T383 WeakPolarHBondContact O-CB 3.34Å; E379-T383 PolarHBondContact O-N 3.1Å; E379-T383 PolarHBondContact O-OG1 3.14Å; E379-L440 HydrophobicContact CB-CD1 4.02Å; E379-L440 HydrophobicContact CG-CD1 4.39Å
380S89.5Confident87.6Confident20 Ų2041.8 Ų41.814%0.1420%0.199CC..Hα-helixtrans-60-46.4174.5-174.80000111.5S213 Y376 I382 T383 Q384S213-S380 PolarHBondContact OG-OG 3.25Å; Y376-S380 VanDerWaalsContact O-CB 3.31Å; Y376-S380 WeakPolarHBondContact O-CB 3.33Å; Y376-S380 PolarHBondContact O-N 3.35Å; S380-I382 PolarHBondContact O-N 3.36Å; S380-T383 PolarHBondContact O-N 3.34Å; S380-Q384 WeakPolarHBondContact O-CB 3.5Å; S380-Q384 VanDerWaalsContact O-CG 3.3Å; S380-Q384 WeakPolarHBondContact O-CG 3.23Å; S380-Q384 PolarHBondContact O-N 3.15Å
381M92.5Very high88.2Confident1 Ų139 Ų391%0.00519%0.187CC..Hα-helixtrans-60-45.3178.2-176.7-177.2-70.100112.1M295 W296 I299 F300 Y377 L378 Q384 V385 L416M295-M381 HydrophobicContact CB-CE 4.14Å; M295-M381 HydrophobicContact CG-CE 4.19Å; M295-M381 HydrophobicContact CG-SD 4.08Å; W296-M381 HydrophobicContact CB-CE 4.25Å; W296-M381 HydrophobicContact CE3-CB 4.18Å; W296-M381 HydrophobicContact CE3-CE 3.76Å; W296-M381 HydrophobicContact CE3-CG 4.39Å; W296-M381 HydrophobicContact CZ3-CB 3.83Å; W296-M381 HydrophobicContact CZ3-CE 4.49Å; W296-M381 HydrophobicContact CZ3-CG 4.44Å; I299-M381 HydrophobicContact CD1-CE 4.38Å; I299-M381 HydrophobicContact CD1-CG 3.78Å; I299-M381 HydrophobicContact CD1-SD 3.28Å; I299-M381 WeakPolarHBondContact CD1-SD 3.34Å; F300-M381 HydrophobicContact CE2-CG 4.37Å; F300-M381 HydrophobicContact CZ-CG 4.49Å; Y377-M381 VanDerWaalsContact O-CB 3.25Å; Y377-M381 WeakPolarHBondContact O-CB 3.45Å; Y377-M381 PolarHBondContact O-N 2.85Å; L378-M381 PolarHBondContact O-N 3.42Å; M381-Q384 PolarHBondContact O-N 3.12Å; M381-V385 WeakPolarHBondContact O-CG2 3.04Å; M381-V385 PolarHBondContact O-N 2.95Å; M381-L416 HydrophobicContact CG-CD1 4.5Å; M381-L416 HydrophobicContact SD-CD1 4.18Å
382I93.7Very high88.1Confident2 Ų235.4 Ų35.41%0.0118%0.175CC..Hα-helixtrans-66.6-42178.5-70.1162.8000111.4L378 E379 S380 Q384 V385 H386 L416 M420 L440 L441 L444L378-I382 WeakPolarHBondContact O-CG1 3.42Å; L378-I382 PolarHBondContact O-N 2.71Å; E379-I382 PolarHBondContact O-N 3.47Å; S380-I382 PolarHBondContact O-N 3.36Å; I382-Q384 VanDerWaalsContact C-N 3.31Å; I382-Q384 PolarHBondContact O-N 3.1Å; I382-V385 PolarHBondContact O-N 3.48Å; I382-H386 WeakPolarHBondContact O-CB 3.29Å; I382-H386 PolarHBondContact O-N 3.41Å; I382-L416 HydrophobicContact CG1-CD1 4.35Å; I382-L416 HydrophobicContact CG1-CD2 4.2Å; I382-M420 HydrophobicContact CD1-CE 4.31Å; I382-L440 HydrophobicContact CD1-CD1 3.62Å; I382-L440 HydrophobicContact CD1-CD2 4.01Å; I382-L440 HydrophobicContact CD1-CG 3.43Å; I382-L440 VanDerWaalsContact CD1-CG 3.43Å; I382-L441 HydrophobicContact CD1-CD2 3.85Å; I382-L441 HydrophobicContact CG1-CD2 4.42Å; I382-L444 HydrophobicContact CG2-CD1 3.94Å; I382-L444 HydrophobicContact CG2-CG 4.23Å
383T92.2Very high87.4Confident57 Ų5738.4 Ų38.435%0.3520%0.196SC..Hα-helixtrans-59.5-45.5176.2-57.40000110.5E379 S380 H386 E387E379-T383 WeakPolarHBondContact O-CB 3.34Å; E379-T383 PolarHBondContact O-N 3.1Å; E379-T383 PolarHBondContact O-OG1 3.14Å; S380-T383 PolarHBondContact O-N 3.34Å; T383-H386 PolarHBondContact O-N 3.32Å; T383-E387 WeakPolarHBondContact O-CG 3.4Å; T383-E387 PolarHBondContact O-N 3.37Å
384Q91.1Very high86.5Confident37 Ų3740.1 Ų40.117%0.17322%0.217CC..Hα-helixtrans-62.6-45.8176.5-74.7-56.9-53.400112.4P208 W296 F300 S380 M381 I382 H386 E387 Q388P208-Q384 HydrophobicContact CB-CG 4.41Å; P208-Q384 VanDerWaalsContact CB-OE1 3.24Å; P208-Q384 HydrophobicContact CG-CB 4.01Å; P208-Q384 HydrophobicContact CG-CG 4.29Å; W296-Q384 HydrophobicContact CH2-CG 4.07Å; W296-Q384 HydrophobicContact CZ2-CG 4.27Å; F300-Q384 HydrophobicContact CE1-CB 4.13Å; F300-Q384 HydrophobicContact CZ-CB 3.64Å; S380-Q384 WeakPolarHBondContact O-CB 3.5Å; S380-Q384 VanDerWaalsContact O-CG 3.3Å; S380-Q384 WeakPolarHBondContact O-CG 3.23Å; S380-Q384 PolarHBondContact O-N 3.15Å; M381-Q384 PolarHBondContact O-N 3.12Å; I382-Q384 VanDerWaalsContact C-N 3.31Å; I382-Q384 PolarHBondContact O-N 3.1Å; Q384-H386 VanDerWaalsContact C-N 3.3Å; Q384-H386 PolarHBondContact O-N 3.46Å; Q384-E387 PolarHBondContact NE2-OE2 3.49Å; Q384-E387 PolarHBondContact O-N 3.06Å; Q384-Q388 WeakPolarHBondContact O-CB 3.12Å; Q384-Q388 WeakPolarHBondContact O-CG 3.28Å; Q384-Q388 PolarHBondContact O-N 2.91Å
385V92.5Very high85.4Confident0 Ų043.4 Ų43.40%023%0.234CC..Hα-helixtrans-57.5-45.6174.9170.30000111I299 F300 M381 I382 Q388 C389 M412 I413 L416 L444I299-V385 HydrophobicContact CG2-CG2 3.65Å; F300-V385 HydrophobicContact CE1-CG2 3.62Å; F300-V385 HydrophobicContact CZ-CG2 3.77Å; M381-V385 WeakPolarHBondContact O-CG2 3.04Å; M381-V385 PolarHBondContact O-N 2.95Å; I382-V385 PolarHBondContact O-N 3.48Å; V385-Q388 PolarHBondContact O-N 2.95Å; V385-C389 WeakPolarHBondContact O-CB 3.09Å; V385-C389 PolarHBondContact O-N 2.94Å; V385-C389 PolarHBondContact O-SG 3.31Å; V385-M412 HydrophobicContact CG1-CE 4.04Å; V385-M412 HydrophobicContact CG1-CG 4.36Å; V385-M412 HydrophobicContact CG1-SD 4.39Å; V385-M412 HydrophobicContact CG2-CG 4.17Å; V385-M412 HydrophobicContact CG2-SD 4.13Å; V385-I413 HydrophobicContact CG1-CG1 4.36Å; V385-L416 HydrophobicContact CB-CD2 4.25Å; V385-L416 HydrophobicContact CG1-CD2 4.09Å; V385-L416 HydrophobicContact CG2-CD2 4.13Å; V385-L444 HydrophobicContact CB-CD1 4.3Å; V385-L444 HydrophobicContact CG1-CD1 3.85Å; V385-L444 HydrophobicContact CG1-CD2 3.97Å
386H91.8Very high83.7Confident60 Ų6048.4 Ų48.428%0.27827%0.267SS..Hα-helixtrans-62.4-44.9178.7175.6-114.1000112.6I382 T383 Q384 C389 N390 P443 L444I382-H386 WeakPolarHBondContact O-CB 3.29Å; I382-H386 PolarHBondContact O-N 3.41Å; T383-H386 PolarHBondContact O-N 3.32Å; Q384-H386 VanDerWaalsContact C-N 3.3Å; Q384-H386 PolarHBondContact O-N 3.46Å; H386-C389 PolarHBondContact O-N 2.95Å; H386-N390 PolarHBondContact CE1-ND2 3.42Å; H386-N390 PolarHBondContact NE2-ND2 3.5Å; H386-N390 VanDerWaalsContact NE2-ND2 3.12Å; H386-N390 PolarHBondContact O-N 3.38Å; H386-N390 PolarHBondContact O-ND2 3.44Å; H386-P443 HydrophobicContact CB-CB 4.43Å; H386-P443 PolarHBondContact CD2-O 3.37Å; H386-L444 HydrophobicContact CB-CD2 3.69Å; H386-L444 HydrophobicContact CB-CG 4.42Å
387E89.6Confident82.3Confident86 Ų8655.1 Ų55.140%0.40230%0.297SS..Hα-helixtrans-60.7-45.6175.9-74.9174.1177.700112T383 Q384 N390 M391T383-E387 WeakPolarHBondContact O-CG 3.4Å; T383-E387 PolarHBondContact O-N 3.37Å; Q384-E387 PolarHBondContact NE2-OE2 3.49Å; Q384-E387 PolarHBondContact O-N 3.06Å; E387-N390 PolarHBondContact O-N 2.9Å; E387-M391 WeakPolarHBondContact O-CG 3.07Å; E387-M391 PolarHBondContact O-N 3.13Å
388Q87.1Confident80.5Confident10 Ų1063 Ų635%0.04733%0.334CS..Hα-helixtrans-65.9-40.2179.8-63.3-63.8-30.100111.7P208 L303 Q384 V385 N390 M391 I392 M412P208-Q388 HydrophobicContact CG-CG 4.2Å; L303-Q388 HydrophobicContact CD1-CB 4Å; L303-Q388 HydrophobicContact CD1-CG 3.7Å; Q384-Q388 WeakPolarHBondContact O-CB 3.12Å; Q384-Q388 WeakPolarHBondContact O-CG 3.28Å; Q384-Q388 PolarHBondContact O-N 2.91Å; V385-Q388 PolarHBondContact O-N 2.95Å; Q388-N390 VanDerWaalsContact C-N 3.33Å; Q388-N390 PolarHBondContact O-N 3.43Å; Q388-M391 HydrophobicContact CG-CE 4.4Å; Q388-M391 PolarHBondContact O-N 3.41Å; Q388-M391 VanDerWaalsContact OE1-CE 3.25Å; Q388-I392 WeakPolarHBondContact O-CB 3.44Å; Q388-I392 WeakPolarHBondContact O-CG1 3.36Å; Q388-I392 PolarHBondContact O-N 3.28Å; Q388-M412 HydrophobicContact CB-CE 4.16Å
389C85.9Confident78.2Confident7 Ų771.9 Ų71.95%0.04738%0.376CS..Hα-helixtrans-58.8-44.2172.7-72.40000111.7V385 H386 S393 M412V385-C389 WeakPolarHBondContact O-CB 3.09Å; V385-C389 PolarHBondContact O-N 2.94Å; V385-C389 PolarHBondContact O-SG 3.31Å; H386-C389 PolarHBondContact O-N 2.95Å; C389-S393 WeakPolarHBondContact O-CB 3.11Å; C389-S393 PolarHBondContact O-N 2.95Å; C389-S393 PolarHBondContact O-OG 3.21Å; C389-M412 VanDerWaalsContact SG-CE 3.6Å
390N84.6Confident75.9Confident81 Ų8173.6 Ų73.643%0.43340%0.395SS..Hα-helixtrans-67-45.6178.3-70.7-32000112.1H386 E387 Q388 I392 S393H386-N390 PolarHBondContact CE1-ND2 3.42Å; H386-N390 PolarHBondContact NE2-ND2 3.5Å; H386-N390 VanDerWaalsContact NE2-ND2 3.12Å; H386-N390 PolarHBondContact O-N 3.38Å; H386-N390 PolarHBondContact O-ND2 3.44Å; E387-N390 PolarHBondContact O-N 2.9Å; Q388-N390 VanDerWaalsContact C-N 3.33Å; Q388-N390 PolarHBondContact O-N 3.43Å; N390-I392 PolarHBondContact O-N 3.1Å; N390-S393 PolarHBondContact O-OG 3.32Å
391M81.3Confident73.7Confident99 Ų9979.8 Ų79.849%0.48843%0.425SS..Hα-helixtrans-61-45.5178.2-72.9-165.8-61.900111.8E387 Q388 S394E387-M391 WeakPolarHBondContact O-CG 3.07Å; E387-M391 PolarHBondContact O-N 3.13Å; Q388-M391 HydrophobicContact CG-CE 4.4Å; Q388-M391 PolarHBondContact O-N 3.41Å; Q388-M391 VanDerWaalsContact OE1-CE 3.25Å; M391-S394 PolarHBondContact O-N 3.45Å; M391-S394 PolarHBondContact O-OG 3.09Å
392I74.7Confident71.2Confident26 Ų2682.1 Ų82.113%0.13345%0.449CS..Hα-helixtrans-79-30.2-174.5-64163.9000111.7L303 I306 Q388 N390 S394 L395 L409L303-I392 HydrophobicContact CD2-CD1 3.54Å; I306-I392 HydrophobicContact CD1-CD1 3.87Å; I306-I392 HydrophobicContact CD1-CG2 4.4Å; I306-I392 HydrophobicContact CG2-CD1 4.18Å; I306-I392 HydrophobicContact CG2-CG1 4.43Å; I306-I392 HydrophobicContact CG2-CG2 4.12Å; Q388-I392 WeakPolarHBondContact O-CB 3.44Å; Q388-I392 WeakPolarHBondContact O-CG1 3.36Å; Q388-I392 PolarHBondContact O-N 3.28Å; N390-I392 PolarHBondContact O-N 3.1Å; I392-S394 PolarHBondContact O-N 3.01Å; I392-S394 VanDerWaalsContact O-N 3.08Å; I392-L395 HydrophobicContact CB-CD1 4.28Å; I392-L395 HydrophobicContact CG1-CD1 4.18Å; I392-L395 HydrophobicContact CG2-CD1 4.11Å; I392-L395 WeakPolarHBondContact O-CB 3.36Å; I392-L395 PolarHBondContact O-N 3.31Å; I392-L409 HydrophobicContact CB-CD1 4Å; I392-L409 HydrophobicContact CB-CD2 3.96Å; I392-L409 HydrophobicContact CB-CG 4.39Å; I392-L409 HydrophobicContact CD1-CD2 3.62Å; I392-L409 HydrophobicContact CG1-CD2 4.38Å; I392-L409 HydrophobicContact CG2-CD1 3.66Å; I392-L409 HydrophobicContact CG2-CD2 4.01Å; I392-L409 HydrophobicContact CG2-CG 3.97Å
393S69.6Low68.8Low88 Ų8890.1 Ų90.162%0.61549%0.492SS*.Hα-helixtrans-58.7-21.2172.272.30000113.6C389 N390C389-S393 WeakPolarHBondContact O-CB 3.11Å; C389-S393 PolarHBondContact O-N 2.95Å; C389-S393 PolarHBondContact O-OG 3.21Å; N390-S393 PolarHBondContact O-OG 3.32Å
394S65.5Low66.8Low99 Ų9997 Ų9769%0.69252%0.517SS*.THydrogen-bonded Turntrans-83.5-1217579.40000114.3M391 I392M391-S394 PolarHBondContact O-N 3.45Å; M391-S394 PolarHBondContact O-OG 3.09Å; I392-S394 PolarHBondContact O-N 3.01Å; I392-S394 VanDerWaalsContact O-N 3.08Å
395L64Low65.4Low98 Ų98102.3 Ų102.351%0.51354%0.542SS..SBendtrans-76.2148.6176.5-72.7160.7000110.7I392 K397I392-L395 HydrophobicContact CB-CD1 4.28Å; I392-L395 HydrophobicContact CG1-CD1 4.18Å; I392-L395 HydrophobicContact CG2-CD1 4.11Å; I392-L395 WeakPolarHBondContact O-CB 3.36Å; I392-L395 PolarHBondContact O-N 3.31Å; L395-K397 PolarHBondContact O-N 2.8Å
396P55.4Low64.1Low105 Ų105106.9 Ų106.968%0.68257%0.566SS**  trans-54.9128.9170.3-1929.9000109.5H398P396-H398 PolarHBondContact O-N 3.41Å
397K56.5Low63.6Low209 Ų209108.3 Ų108.391%0.90958%0.575SS**  trans-57.4106.1171.6-69.7-174.6178.4-175.30107.9L395 E399L395-K397 PolarHBondContact O-N 2.8Å; K397-E399 PolarHBondContact O-N 3.49Å
398H49.3Very low63.3Low177 Ų177106.4 Ų106.482%0.81957%0.567SS**  trans-63.3130.7167.6-96.6-80.3000107.7P396 S400P396-H398 PolarHBondContact O-N 3.41Å; H398-S400 PolarHBondContact O-N 3.23Å
399E43.6Very low63.2Low188 Ų188107 Ų10788%0.87957%0.571SS**  trans-49.9110.4176.8-68.2178.5163.300109.2K397 L401K397-E399 PolarHBondContact O-N 3.49Å; E399-L401 PolarHBondContact O-N 3.42Å
400S44.6Very low63.3Low96 Ų96110.1 Ų110.167%0.67159%0.585SS**  trans-58.4122.9179.451.90000109.3H398 G402H398-S400 PolarHBondContact O-N 3.23Å; S400-G402 VanDerWaalsContact C-N 3.28Å; S400-G402 PolarHBondContact O-N 2.96Å
401L41.9Very low63.5Low150 Ų150108.3 Ų108.379%0.78558%0.575SS**SBendtrans-64.591.5165.4-103.392000109E399E399-L401 PolarHBondContact O-N 3.42Å
402G39.4Very low64.1Low49 Ų49103.6 Ų103.651%0.50555%0.552SS.*SBendtrans87.5136.7166.100000116.3S400 K404 Q405S400-G402 VanDerWaalsContact C-N 3.28Å; S400-G402 PolarHBondContact O-N 2.96Å; G402-K404 PolarHBondContact O-N 3.26Å; G402-Q405 PolarHBondContact O-N 3.12Å
403D44.6Very low64.9Low171 Ų171102.6 Ų102.691%0.91455%0.547SS*.THydrogen-bonded Turntrans-57.77-173.1-82.9-27.4000117.9
404K49.7Very low66Low200 Ų20099.3 Ų99.387%0.8752%0.522SS*.THydrogen-bonded Turntrans-138.99.7-175-69.4-170.1179.1-179.10116.1G402G402-K404 PolarHBondContact O-N 3.26Å
405Q61.2Low67.5Low149 Ų14994.9 Ų94.970%0.69649%0.49SS*.PPolyproline II helixtrans-82.7127.1172.7-73.3-173.8-3.800110.1G402 D407G402-Q405 PolarHBondContact O-N 3.12Å; Q405-D407 PolarHBondContact O-N 3.49Å
406I65.6Low69Low97 Ų9790.3 Ų90.350%0.49747%0.466SS..PPolyproline II helixtrans-58.4131.6168.6-60.9173.6000107.1E410 L411 I414I406-E410 HydrophobicContact CG2-CB 3.95Å; I406-E410 HydrophobicContact CG2-CG 4.06Å; I406-L411 HydrophobicContact CG2-CB 4.21Å; I406-I414 HydrophobicContact CG2-CD1 4.02Å
407D81.6Confident70.8Confident90 Ų9085.5 Ų85.548%0.48144%0.435SS..PPolyproline II helixtrans-58.9140.4174.8179.214.8000109.8Q405 L409 E410 L411Q405-D407 PolarHBondContact O-N 3.49Å; D407-L409 PolarHBondContact O-N 2.96Å; D407-L409 PolarHBondContact OD1-N 3.03Å; D407-E410 HydrophobicContact CB-CB 3.94Å; D407-E410 CarbonylContact O-C 3.54Å; D407-E410 WeakPolarHBondContact O-CA 3.46Å; D407-E410 WeakPolarHBondContact O-CB 3.42Å; D407-E410 PolarHBondContact O-N 3.34Å; D407-L411 PolarHBondContact O-N 2.9Å
408L82.4Confident72.7Confident45 Ų4579.5 Ų79.524%0.23641%0.41CS..Hα-helixtrans-61.9-32.1-179.1-68.8167.7000111.8P302 H305 I306 M412P302-L408 HydrophobicContact CB-CB 4.07Å; P302-L408 HydrophobicContact CB-CD2 4.02Å; P302-L408 WeakPolarHBondContact CB-O 3.4Å; H305-L408 HydrophobicContact CB-CD1 3.62Å; H305-L408 HydrophobicContact CB-CD2 4.36Å; I306-L408 HydrophobicContact CD1-CB 3.69Å; I306-L408 HydrophobicContact CD1-CD1 4.43Å; I306-L408 HydrophobicContact CG1-CB 3.73Å; I306-L408 HydrophobicContact CG1-CD1 3.54Å; I306-L408 HydrophobicContact CG1-CG 4.3Å; L408-M412 PolarHBondContact O-N 3.37Å; L408-M412 VanDerWaalsContact O-N 3.14Å
409L85.2Confident74.9Confident22 Ų2271 Ų7112%0.11537%0.371CS..Hα-helixtrans-66.4-43.8170.3-71-179.4000111.9L303 I306 I392 D407 L411 M412 I413L303-L409 HydrophobicContact CD2-CD2 4.3Å; I306-L409 HydrophobicContact CD1-CD2 4.11Å; I306-L409 HydrophobicContact CD1-CG 4.26Å; I392-L409 HydrophobicContact CB-CD1 4Å; I392-L409 HydrophobicContact CB-CD2 3.96Å; I392-L409 HydrophobicContact CB-CG 4.39Å; I392-L409 HydrophobicContact CD1-CD2 3.62Å; I392-L409 HydrophobicContact CG1-CD2 4.38Å; I392-L409 HydrophobicContact CG2-CD1 3.66Å; I392-L409 HydrophobicContact CG2-CD2 4.01Å; I392-L409 HydrophobicContact CG2-CG 3.97Å; D407-L409 PolarHBondContact O-N 2.96Å; D407-L409 PolarHBondContact OD1-N 3.03Å; L409-L411 VanDerWaalsContact C-N 3.3Å; L409-L411 PolarHBondContact O-N 3.48Å; L409-M412 HydrophobicContact CD2-CE 3.95Å; L409-M412 WeakPolarHBondContact O-CB 3.39Å; L409-M412 PolarHBondContact O-N 3.02Å; L409-I413 WeakPolarHBondContact O-CD1 3.17Å; L409-I413 WeakPolarHBondContact O-CG1 3.48Å; L409-I413 PolarHBondContact O-N 2.82Å; L409-I413 VanDerWaalsContact O-N 3.13Å
410E88.2Confident77.3Confident73 Ų7362.1 Ų62.134%0.34133%0.329SS..Hα-helixtrans-62.4-40.7176.8-171.7178.1-169.900110.8I406 D407 M412 I413 I414 W449I406-E410 HydrophobicContact CG2-CB 3.95Å; I406-E410 HydrophobicContact CG2-CG 4.06Å; D407-E410 HydrophobicContact CB-CB 3.94Å; D407-E410 CarbonylContact O-C 3.54Å; D407-E410 WeakPolarHBondContact O-CA 3.46Å; D407-E410 WeakPolarHBondContact O-CB 3.42Å; D407-E410 PolarHBondContact O-N 3.34Å; E410-M412 PolarHBondContact O-N 2.99Å; E410-I413 PolarHBondContact O-N 3.39Å; E410-I414 HydrophobicContact CG-CD1 3.88Å; E410-I414 HydrophobicContact CG-CG1 4.33Å; E410-I414 WeakPolarHBondContact O-CB 3.27Å; E410-I414 VanDerWaalsContact O-CG1 3.26Å; E410-I414 WeakPolarHBondContact O-CG1 3.43Å; E410-I414 PolarHBondContact O-N 3.48Å; E410-W449 PolarHBondContact OE1-NE1 2.81Å
411L90.5Very high79.6Confident44 Ų4459.3 Ų59.323%0.2331%0.306CS..Hα-helixtrans-60.9-41.9175.6-17959.9000112.4P302 I406 D407 L409 I413 I414 R415P302-L411 HydrophobicContact CB-CD2 4.41Å; P302-L411 HydrophobicContact CG-CB 4.37Å; P302-L411 HydrophobicContact CG-CD2 3.87Å; P302-L411 HydrophobicContact CG-CG 3.99Å; I406-L411 HydrophobicContact CG2-CB 4.21Å; D407-L411 PolarHBondContact O-N 2.9Å; L409-L411 VanDerWaalsContact C-N 3.3Å; L409-L411 PolarHBondContact O-N 3.48Å; L411-I413 VanDerWaalsContact C-N 3.33Å; L411-I413 PolarHBondContact O-N 3.2Å; L411-I414 PolarHBondContact O-N 3.41Å; L411-R415 HydrophobicContact CD1-CG 4.4Å; L411-R415 WeakPolarHBondContact O-CG 3.35Å; L411-R415 PolarHBondContact O-N 2.77Å
412M92Very high82Confident0 Ų054.3 Ų54.30%028%0.279CS..Hα-helixtrans-59.1-45174.7176.4176.36200111.3I299 F300 L303 V385 Q388 C389 L408 L409 E410 L416I299-M412 HydrophobicContact CG2-CG 3.56Å; I299-M412 HydrophobicContact CG2-SD 4.36Å; I299-M412 WeakPolarHBondContact O-CG 3.43Å; F300-M412 HydrophobicContact CD1-SD 3.76Å; F300-M412 HydrophobicContact CE1-SD 3.95Å; L303-M412 HydrophobicContact CD1-SD 4Å; L303-M412 HydrophobicContact CD2-CE 4.19Å; L303-M412 HydrophobicContact CD2-SD 3.99Å; L303-M412 HydrophobicContact CG-SD 4.04Å; V385-M412 HydrophobicContact CG1-CE 4.04Å; V385-M412 HydrophobicContact CG1-CG 4.36Å; V385-M412 HydrophobicContact CG1-SD 4.39Å; V385-M412 HydrophobicContact CG2-CG 4.17Å; V385-M412 HydrophobicContact CG2-SD 4.13Å; Q388-M412 HydrophobicContact CB-CE 4.16Å; C389-M412 VanDerWaalsContact SG-CE 3.6Å; L408-M412 PolarHBondContact O-N 3.37Å; L408-M412 VanDerWaalsContact O-N 3.14Å; L409-M412 HydrophobicContact CD2-CE 3.95Å; L409-M412 WeakPolarHBondContact O-CB 3.39Å; L409-M412 PolarHBondContact O-N 3.02Å; E410-M412 PolarHBondContact O-N 2.99Å; M412-L416 PolarHBondContact O-N 3.18Å; M412-L416 VanDerWaalsContact O-N 3.15Å
413I93Very high84.6Confident5 Ų552 Ų523%0.02626%0.255CS..Hα-helixtrans-67.3-42.9178.5-65.2158000111.2V385 L409 E410 L411 L416 A417 H447 W449 I450V385-I413 HydrophobicContact CG1-CG1 4.36Å; L409-I413 WeakPolarHBondContact O-CD1 3.17Å; L409-I413 WeakPolarHBondContact O-CG1 3.48Å; L409-I413 PolarHBondContact O-N 2.82Å; L409-I413 VanDerWaalsContact O-N 3.13Å; E410-I413 PolarHBondContact O-N 3.39Å; L411-I413 VanDerWaalsContact C-N 3.33Å; L411-I413 PolarHBondContact O-N 3.2Å; I413-L416 PolarHBondContact O-N 2.86Å; I413-A417 WeakPolarHBondContact O-CB 3.25Å; I413-A417 PolarHBondContact O-N 3.23Å; I413-H447 HydrophobicContact CD1-CB 4.25Å; I413-H447 VanDerWaalsContact CD1-CE1 3.42Å; I413-H447 WeakPolarHBondContact CD1-CE1 3.36Å; I413-H447 VanDerWaalsContact CD1-ND1 3.28Å; I413-H447 WeakPolarHBondContact CD1-ND1 3.46Å; I413-H447 HydrophobicContact CG2-CB 4.06Å; I413-W449 HydrophobicContact CG2-CB 4.28Å; I413-I450 HydrophobicContact CG2-CD1 4.33Å; I413-I450 HydrophobicContact CG2-CG1 3.86Å
414I93Very high86.8Confident18 Ų1846.5 Ų46.59%0.09222%0.222CC..Hα-helixtrans-57.8-50.1176.9-72.4166000110I406 E410 L411 L416 A417 E418 W449I406-I414 HydrophobicContact CG2-CD1 4.02Å; E410-I414 HydrophobicContact CG-CD1 3.88Å; E410-I414 HydrophobicContact CG-CG1 4.33Å; E410-I414 WeakPolarHBondContact O-CB 3.27Å; E410-I414 VanDerWaalsContact O-CG1 3.26Å; E410-I414 WeakPolarHBondContact O-CG1 3.43Å; E410-I414 PolarHBondContact O-N 3.48Å; L411-I414 PolarHBondContact O-N 3.41Å; I414-L416 PolarHBondContact O-N 2.81Å; I414-A417 WeakPolarHBondContact O-CB 3.33Å; I414-A417 PolarHBondContact O-N 2.86Å; I414-A417 VanDerWaalsContact O-N 3.14Å; I414-E418 HydrophobicContact CG2-CG 4.24Å; I414-E418 WeakPolarHBondContact O-CG 3.43Å; I414-E418 PolarHBondContact O-N 3.28Å; I414-W449 HydrophobicContact CD1-CZ2 4.06Å; I414-W449 HydrophobicContact CG1-CD2 3.88Å; I414-W449 HydrophobicContact CG1-CG 3.91Å; I414-W449 HydrophobicContact CG1-CZ2 4.25Å
415R95.2Very high88.6Confident7 Ų741.9 Ų41.93%0.02621%0.21CC..Hα-helixtrans-57.9-48.8179.2-73-176.6174.2162.92.4111M295 T298 I299 E301 S327 L411 A417 E418 F419M295-R415 VanDerWaalsContact CE-C 3.44Å; M295-R415 HydrophobicContact CE-CB 4.19Å; M295-R415 WeakPolarHBondContact CE-O 3.42Å; T298-R415 WeakPolarHBondContact O-CD 3.3Å; T298-R415 PolarHBondContact O-NH1 3.35Å; I299-R415 HydrophobicContact CG1-CB 4.41Å; E301-R415 IonicContact OE2-NH1 2.78Å; E301-R415 PolarHBondContact OE2-NH1 2.99Å; S327-R415 PolarHBondContact OG-NH2 3.07Å; L411-R415 HydrophobicContact CD1-CG 4.4Å; L411-R415 WeakPolarHBondContact O-CG 3.35Å; L411-R415 PolarHBondContact O-N 2.77Å; R415-A417 VanDerWaalsContact C-N 3.33Å; R415-A417 PolarHBondContact O-N 3.38Å; R415-E418 PolarHBondContact O-N 3.37Å; R415-F419 PolarHBondContact O-N 3.45Å; R415-F419 VanDerWaalsContact O-N 3.09Å
416L96Very high90Very high1 Ų135.5 Ų35.51%0.00518%0.182CC..Hα-helixtrans-57.1-46.9175.9175.364.9000111.6I299 M381 I382 V385 M412 I413 I414 F419 M420 L444I299-L416 HydrophobicContact CD1-CB 4Å; I299-L416 HydrophobicContact CD1-CD1 3.79Å; I299-L416 HydrophobicContact CD1-CG 4.48Å; I299-L416 HydrophobicContact CG1-CB 4.48Å; M381-L416 HydrophobicContact CG-CD1 4.5Å; M381-L416 HydrophobicContact SD-CD1 4.18Å; I382-L416 HydrophobicContact CG1-CD1 4.35Å; I382-L416 HydrophobicContact CG1-CD2 4.2Å; V385-L416 HydrophobicContact CB-CD2 4.25Å; V385-L416 HydrophobicContact CG1-CD2 4.09Å; V385-L416 HydrophobicContact CG2-CD2 4.13Å; M412-L416 PolarHBondContact O-N 3.18Å; M412-L416 VanDerWaalsContact O-N 3.15Å; I413-L416 PolarHBondContact O-N 2.86Å; I414-L416 PolarHBondContact O-N 2.81Å; L416-F419 PolarHBondContact O-N 2.89Å; L416-M420 HydrophobicContact CD1-CG 3.87Å; L416-M420 HydrophobicContact CG-CG 4.33Å; L416-M420 WeakPolarHBondContact O-CB 3.4Å; L416-M420 VanDerWaalsContact O-CG 3.23Å; L416-M420 WeakPolarHBondContact O-CG 3.45Å; L416-M420 PolarHBondContact O-N 3.19Å; L416-L444 HydrophobicContact CD2-CD1 3.34Å
417A94.5Very high91.1Very high5 Ų532.4 Ų32.44%0.04117%0.174CC..Hα-helixtrans-59-48.8179.500000111.6I413 I414 R415 F419 M420 Q421 W449 I450 I453I413-A417 WeakPolarHBondContact O-CB 3.25Å; I413-A417 PolarHBondContact O-N 3.23Å; I414-A417 WeakPolarHBondContact O-CB 3.33Å; I414-A417 PolarHBondContact O-N 2.86Å; I414-A417 VanDerWaalsContact O-N 3.14Å; R415-A417 VanDerWaalsContact C-N 3.33Å; R415-A417 PolarHBondContact O-N 3.38Å; A417-F419 PolarHBondContact O-N 3.11Å; A417-M420 PolarHBondContact O-N 3.13Å; A417-Q421 VanDerWaalsContact O-CB 3.28Å; A417-Q421 WeakPolarHBondContact O-CB 3.22Å; A417-Q421 PolarHBondContact O-N 3.28Å; A417-W449 HydrophobicContact CB-CB 4.31Å; A417-I450 HydrophobicContact CB-CD1 3.89Å; A417-I453 VanDerWaalsContact CA-CD1 3.48Å; A417-I453 HydrophobicContact CB-CD1 3.47Å; A417-I453 VanDerWaalsContact CB-CD1 3.47Å; A417-I453 WeakPolarHBondContact O-CD1 3.43Å
418E95.1Very high91.5Very high82 Ų8228.1 Ų28.138%0.38315%0.151SC..Hα-helixtrans-58.8-47.1178.5-72.1176.6141.100112H330 L334 I414 R415 Q421 I422H330-E418 IonicContact CD2-OE2 2.57Å; H330-E418 IonicContact NE2-OE2 2.78Å; H330-E418 PolarHBondContact NE2-OE2 2.85Å; L334-E418 HydrophobicContact CD1-CB 3.85Å; I414-E418 HydrophobicContact CG2-CG 4.24Å; I414-E418 WeakPolarHBondContact O-CG 3.43Å; I414-E418 PolarHBondContact O-N 3.28Å; R415-E418 PolarHBondContact O-N 3.37Å; E418-Q421 PolarHBondContact O-N 2.88Å; E418-I422 VanDerWaalsContact O-CB 3.31Å; E418-I422 WeakPolarHBondContact O-CB 3.38Å; E418-I422 WeakPolarHBondContact O-CG1 3.49Å; E418-I422 PolarHBondContact O-N 3.44Å
419F95.7Very high91.9Very high0 Ų026.7 Ų26.70%014%0.143CC..Hα-helixtrans-62.7-47.8177.3171.1-89.9000112.4L292 M295 L334 L337 L363 L378 R415 L416 A417 Q421 I422 C423L292-F419 HydrophobicContact CD2-CE1 4.15Å; L292-F419 HydrophobicContact CD2-CZ 3.76Å; M295-F419 HydrophobicContact CB-CD2 4.13Å; M295-F419 HydrophobicContact CB-CE2 4.01Å; M295-F419 HydrophobicContact CB-CZ 4.39Å; M295-F419 HydrophobicContact CE-CB 3.23Å; M295-F419 HydrophobicContact CE-CD2 4.35Å; M295-F419 HydrophobicContact CE-CG 3.85Å; M295-F419 HydrophobicContact CG-CB 4.23Å; M295-F419 HydrophobicContact CG-CD1 4.06Å; M295-F419 HydrophobicContact CG-CD2 3.71Å; M295-F419 HydrophobicContact CG-CE1 4.36Å; M295-F419 HydrophobicContact CG-CE2 4.01Å; M295-F419 HydrophobicContact CG-CG 3.73Å; M295-F419 HydrophobicContact CG-CZ 4.34Å; M295-F419 HydrophobicContact SD-CB 3.52Å; M295-F419 VanDerWaalsContact SD-CB 3.52Å; M295-F419 HydrophobicContact SD-CD1 4.43Å; M295-F419 HydrophobicContact SD-CD2 3.47Å; M295-F419 WeakPolarHBondContact SD-CD2 3.5Å; M295-F419 HydrophobicContact SD-CE2 4.28Å; M295-F419 HydrophobicContact SD-CG 3.57Å; M295-F419 VanDerWaalsContact SD-CG 3.57Å; L334-F419 HydrophobicContact CD2-CB 4.18Å; L337-F419 HydrophobicContact CD1-CD2 3.55Å; L337-F419 HydrophobicContact CD1-CE2 3.43Å; L337-F419 VanDerWaalsContact CD1-CE2 3.43Å; L363-F419 HydrophobicContact CD1-CE1 4.25Å; L363-F419 HydrophobicContact CD1-CZ 3.88Å; L378-F419 HydrophobicContact CD2-CE1 3.94Å; R415-F419 PolarHBondContact O-N 3.45Å; R415-F419 VanDerWaalsContact O-N 3.09Å; L416-F419 PolarHBondContact O-N 2.89Å; A417-F419 PolarHBondContact O-N 3.11Å; F419-Q421 VanDerWaalsContact C-N 3.32Å; F419-Q421 PolarHBondContact O-N 3.03Å; F419-I422 PolarHBondContact O-N 3.45Å; F419-C423 WeakPolarHBondContact CE2-SG 3.1Å; F419-C423 VanDerWaalsContact CZ-SG 3.54Å; F419-C423 VanDerWaalsContact O-CB 3.26Å; F419-C423 WeakPolarHBondContact O-CB 3.4Å; F419-C423 PolarHBondContact O-N 3.25Å; F419-C423 PolarHBondContact O-SG 3.34Å; F419-C423 VanDerWaalsContact O-SG 3.41Å
420M94.8Very high92.1Very high0 Ų029.3 Ų29.30%015%0.152CC..Hα-helixtrans-62.8-42-179.1-70.4-60.3-7500111.2L378 I382 L416 A417 W424 I429 F437 L440 L441L378-M420 HydrophobicContact CD2-SD 3.95Å; I382-M420 HydrophobicContact CD1-CE 4.31Å; L416-M420 HydrophobicContact CD1-CG 3.87Å; L416-M420 HydrophobicContact CG-CG 4.33Å; L416-M420 WeakPolarHBondContact O-CB 3.4Å; L416-M420 VanDerWaalsContact O-CG 3.23Å; L416-M420 WeakPolarHBondContact O-CG 3.45Å; L416-M420 PolarHBondContact O-N 3.19Å; A417-M420 PolarHBondContact O-N 3.13Å; M420-W424 VanDerWaalsContact O-CB 3.26Å; M420-W424 WeakPolarHBondContact O-CB 3.35Å; M420-W424 PolarHBondContact O-N 2.87Å; M420-I429 HydrophobicContact CE-CD1 4.22Å; M420-I429 HydrophobicContact SD-CD1 4.44Å; M420-F437 HydrophobicContact CB-CZ 4.2Å; M420-F437 HydrophobicContact CE-CD2 4.15Å; M420-F437 HydrophobicContact CE-CE2 3.43Å; M420-F437 VanDerWaalsContact CE-CE2 3.43Å; M420-F437 HydrophobicContact CE-CZ 4.09Å; M420-L440 HydrophobicContact CE-CD2 3.77Å; M420-L441 HydrophobicContact CE-CD2 4.05Å; M420-L441 HydrophobicContact CE-CG 4.38Å; M420-L441 HydrophobicContact CG-CD2 4.19Å
421Q92.5Very high92.1Very high37 Ų3731.6 Ų31.617%0.17317%0.166CC..Hα-helixtrans-63.5-47.7175.5-178.164.919.300111.8A417 E418 F419 W424 V425 I453A417-Q421 VanDerWaalsContact O-CB 3.28Å; A417-Q421 WeakPolarHBondContact O-CB 3.22Å; A417-Q421 PolarHBondContact O-N 3.28Å; E418-Q421 PolarHBondContact O-N 2.88Å; F419-Q421 VanDerWaalsContact C-N 3.32Å; F419-Q421 PolarHBondContact O-N 3.03Å; Q421-W424 PolarHBondContact O-N 3.14Å; Q421-V425 HydrophobicContact CG-CG2 4.49Å; Q421-V425 WeakPolarHBondContact O-CB 3.25Å; Q421-V425 VanDerWaalsContact O-CG2 3.31Å; Q421-V425 WeakPolarHBondContact O-CG2 3.45Å; Q421-V425 PolarHBondContact O-N 3.21Å; Q421-I453 HydrophobicContact CB-CD1 4.03Å; Q421-I453 HydrophobicContact CB-CG1 4.42Å
422I92.9Very high92.1Very high45 Ų4530.1 Ų30.123%0.23116%0.159CC..Hα-helixtrans-65.9-47.2-178.2-77167.9000111L334 L337 E418 F419 W424 V425 S426L334-I422 HydrophobicContact CB-CD1 3.85Å; L334-I422 HydrophobicContact CD1-CD1 3.9Å; L334-I422 HydrophobicContact CD2-CD1 3.79Å; L334-I422 HydrophobicContact CG-CD1 4.04Å; L337-I422 HydrophobicContact CB-CG2 3.81Å; E418-I422 VanDerWaalsContact O-CB 3.31Å; E418-I422 WeakPolarHBondContact O-CB 3.38Å; E418-I422 WeakPolarHBondContact O-CG1 3.49Å; E418-I422 PolarHBondContact O-N 3.44Å; F419-I422 PolarHBondContact O-N 3.45Å; I422-W424 VanDerWaalsContact C-N 3.26Å; I422-W424 PolarHBondContact O-N 3.07Å; I422-V425 PolarHBondContact O-N 2.96Å; I422-S426 VanDerWaalsContact O-CB 3.25Å; I422-S426 WeakPolarHBondContact O-CB 3.24Å; I422-S426 PolarHBondContact O-N 3.09Å; I422-S426 PolarHBondContact O-OG 3Å
423C92.8Very high91.9Very high0 Ų032.3 Ų32.30%017%0.174CC..Hα-helixtrans-63.6-33.3178.5-74.80000112.3L363 F419 S426 R428 I429L363-C423 HydrophobicContact CD1-CB 4.34Å; F419-C423 WeakPolarHBondContact CE2-SG 3.1Å; F419-C423 VanDerWaalsContact CZ-SG 3.54Å; F419-C423 VanDerWaalsContact O-CB 3.26Å; F419-C423 WeakPolarHBondContact O-CB 3.4Å; F419-C423 PolarHBondContact O-N 3.25Å; F419-C423 PolarHBondContact O-SG 3.34Å; F419-C423 VanDerWaalsContact O-SG 3.41Å; C423-S426 PolarHBondContact O-OG 3Å; C423-R428 HydrophobicContact CB-CB 4.32Å; C423-R428 WeakPolarHBondContact O-CA 3.38Å; C423-R428 WeakPolarHBondContact O-CB 3.27Å; C423-R428 PolarHBondContact O-N 3.24Å; C423-I429 HydrophobicContact CB-CD1 3.97Å; C423-I429 HydrophobicContact CB-CG1 3.91Å; C423-I429 PolarHBondContact O-N 3.18Å; C423-I429 VanDerWaalsContact O-N 3.13Å
424W90.3Very high91.7Very high56 Ų5634.8 Ų34.821%0.21219%0.192CC..Hα-helixtrans-68.1-56.8172.4-175.7-81.2000111.8M420 Q421 I422 S426 G427 I429 F437 F457M420-W424 VanDerWaalsContact O-CB 3.26Å; M420-W424 WeakPolarHBondContact O-CB 3.35Å; M420-W424 PolarHBondContact O-N 2.87Å; Q421-W424 PolarHBondContact O-N 3.14Å; I422-W424 VanDerWaalsContact C-N 3.26Å; I422-W424 PolarHBondContact O-N 3.07Å; W424-S426 VanDerWaalsContact C-N 3.3Å; W424-S426 PolarHBondContact O-N 3.07Å; W424-G427 PolarHBondContact O-N 3.44Å; W424-I429 HydrophobicContact CE3-CB 4.34Å; W424-I429 HydrophobicContact CE3-CG2 4.23Å; W424-I429 HydrophobicContact CZ3-CG2 4.33Å; W424-F437 HydrophobicContact CB-CE2 4.41Å; W424-F437 HydrophobicContact CB-CZ 4.19Å; W424-F437 HydrophobicContact CD2-CD1 4.44Å; W424-F437 HydrophobicContact CD2-CD2 4.39Å; W424-F437 HydrophobicContact CD2-CE1 4.5Å; W424-F437 HydrophobicContact CD2-CE2 4.4Å; W424-F437 HydrophobicContact CD2-CG 4.38Å; W424-F437 HydrophobicContact CD2-CZ 4.46Å; W424-F437 HydrophobicContact CE3-CB 4.06Å; W424-F437 HydrophobicContact CE3-CD1 4.04Å; W424-F437 AromaticContact CE3-CD2 3.39Å; W424-F437 HydrophobicContact CE3-CD2 3.39Å; W424-F437 HydrophobicContact CE3-CE1 4.33Å; W424-F437 AromaticContact CE3-CE2 3.68Å; W424-F437 HydrophobicContact CE3-CE2 3.68Å; W424-F437 AromaticContact CE3-CG 3.56Å; W424-F437 HydrophobicContact CE3-CG 3.56Å; W424-F437 HydrophobicContact CE3-CZ 4.15Å; W424-F437 HydrophobicContact CH2-CB 3.99Å; W424-F437 HydrophobicContact CH2-CG 4.32Å; W424-F437 HydrophobicContact CZ3-CB 3.49Å; W424-F437 VanDerWaalsContact CZ3-CB 3.49Å; W424-F437 HydrophobicContact CZ3-CD1 4.27Å; W424-F437 AromaticContact CZ3-CD2 3.66Å; W424-F437 HydrophobicContact CZ3-CD2 3.66Å; W424-F437 HydrophobicContact CZ3-CE2 4.41Å; W424-F437 AromaticContact CZ3-CG 3.54Å; W424-F437 HydrophobicContact CZ3-CG 3.54Å; W424-F457 HydrophobicContact CB-CZ 4.3Å; W424-F457 AromaticContact CD1-CE1 3.37Å; W424-F457 AromaticContact CD1-CZ 3.34Å; W424-F457 AromaticContact CD2-CE1 3.91Å; W424-F457 HydrophobicContact CD2-CE1 3.91Å; W424-F457 AromaticContact CD2-CZ 3.94Å; W424-F457 HydrophobicContact CD2-CZ 3.94Å; W424-F457 AromaticContact CE2-CE1 3.39Å; W424-F457 AromaticContact CE2-CZ 3.92Å; W424-F457 AromaticContact CG-CE1 3.88Å; W424-F457 HydrophobicContact CG-CE1 3.88Å; W424-F457 AromaticContact CG-CZ 3.57Å; W424-F457 HydrophobicContact CG-CZ 3.57Å; W424-F457 HydrophobicContact CZ2-CD1 4.37Å; W424-F457 AromaticContact CZ2-CE1 3.97Å; W424-F457 HydrophobicContact CZ2-CE1 3.97Å; W424-F457 AromaticContact NE1-CE1 3.11Å; W424-F457 AromaticContact NE1-CZ 3.62Å
425V89.3Confident91.5Very high103 Ų10339.7 Ų39.762%0.62422%0.218SC*.Hα-helixtrans-63.8-35.1-174171.80000112.3Q421 I422 G427Q421-V425 HydrophobicContact CG-CG2 4.49Å; Q421-V425 WeakPolarHBondContact O-CB 3.25Å; Q421-V425 VanDerWaalsContact O-CG2 3.31Å; Q421-V425 WeakPolarHBondContact O-CG2 3.45Å; Q421-V425 PolarHBondContact O-N 3.21Å; I422-V425 PolarHBondContact O-N 2.96Å; V425-G427 PolarHBondContact O-N 3.12Å
426S89.4Confident91.2Very high16 Ų1640.4 Ų40.411%0.11222%0.222CC..THydrogen-bonded Turntrans-76.2-3.2176.360.40000114.2L337 A341 I422 C423 W424 R428L337-S426 VanDerWaalsContact O-CB 3.24Å; L337-S426 WeakPolarHBondContact O-CB 3.44Å; L337-S426 PolarHBondContact O-OG 2.99Å; L337-S426 VanDerWaalsContact O-OG 3.12Å; A341-S426 PolarHBondContact N-O 3.18Å; I422-S426 VanDerWaalsContact O-CB 3.25Å; I422-S426 WeakPolarHBondContact O-CB 3.24Å; I422-S426 PolarHBondContact O-N 3.09Å; I422-S426 PolarHBondContact O-OG 3Å; C423-S426 PolarHBondContact O-OG 3Å; W424-S426 VanDerWaalsContact C-N 3.3Å; W424-S426 PolarHBondContact O-N 3.07Å; S426-R428 WeakPolarHBondContact OG-CD 3.42Å; S426-R428 WeakPolarHBondContact OG-CG 3.45Å
427G88.7Confident90.9Very high31 Ų3140.4 Ų40.432%0.3222%0.221SC..THydrogen-bonded Turntrans72.725.2179.900000114.2W424 V425W424-G427 PolarHBondContact O-N 3.44Å; V425-G427 PolarHBondContact O-N 3.12Å
428R89.7Confident90.7Very high1 Ų144 Ų440%0.00424%0.235CC..  trans-83.1-38.5178.8-68.4178.2-177.4-87.2-1.2112.4C336 L337 E339 F358 W361 L363 C423 S426 R430C336-R428 PolarHBondContact O-NH2 3.44Å; L337-R428 PolarHBondContact O-NE 2.88Å; E339-R428 PolarHBondContact O-NH2 3.38Å; F358-R428 PolarHBondContact O-NH1 3.05Å; W361-R428 PolarHBondContact O-NH1 3.32Å; L363-R428 PolarHBondContact N-O 2.96Å; C423-R428 HydrophobicContact CB-CB 4.32Å; C423-R428 WeakPolarHBondContact O-CA 3.38Å; C423-R428 WeakPolarHBondContact O-CB 3.27Å; C423-R428 PolarHBondContact O-N 3.24Å; S426-R428 WeakPolarHBondContact OG-CD 3.42Å; S426-R428 WeakPolarHBondContact OG-CG 3.45Å; R428-R430 PolarHBondContact O-N 3.21Å
429I91.5Very high90.5Very high14 Ų1446.4 Ų46.47%0.07224%0.244CC..EExtended strand (participates in β ladder)trans-72.1115.2168.9-62.2172.7000107.5L363 C365 M420 C423 W424 L432 F437L363-I429 HydrophobicContact CB-CG1 4.29Å; L363-I429 HydrophobicContact CD1-CG1 4.11Å; L363-I429 WeakPolarHBondContact O-CA 3.28Å; C365-I429 HydrophobicContact CB-CG2 4.45Å; M420-I429 HydrophobicContact CE-CD1 4.22Å; M420-I429 HydrophobicContact SD-CD1 4.44Å; C423-I429 HydrophobicContact CB-CD1 3.97Å; C423-I429 HydrophobicContact CB-CG1 3.91Å; C423-I429 PolarHBondContact O-N 3.18Å; C423-I429 VanDerWaalsContact O-N 3.13Å; W424-I429 HydrophobicContact CE3-CB 4.34Å; W424-I429 HydrophobicContact CE3-CG2 4.23Å; W424-I429 HydrophobicContact CZ3-CG2 4.33Å; I429-L432 HydrophobicContact CG2-CB 3.82Å; I429-L432 HydrophobicContact CG2-CD2 3.85Å; I429-F437 HydrophobicContact CD1-CD2 4.26Å; I429-F437 HydrophobicContact CD1-CE2 3.68Å
430R88.6Confident90.3Very high78 Ų7846.6 Ų46.629%0.29425%0.245SC..EExtended strand (participates in β ladder)trans-115.4157.3-178.8-67-171175.5-174.83.1110.7L363 C365 R428 L432L363-R430 PolarHBondContact O-N 3.12Å; C365-R430 WeakPolarHBondContact CA-O 3.48Å; C365-R430 WeakPolarHBondContact CB-O 3.42Å; C365-R430 PolarHBondContact N-O 3.18Å; C365-R430 VanDerWaalsContact O-O 3.12Å; R428-R430 PolarHBondContact O-N 3.21Å; R430-L432 PolarHBondContact O-N 2.88Å
431N89.3Confident90.3Very high121 Ų12146.6 Ų46.665%0.64725%0.245SC*.SBendtrans60.111.3175.5-60.1-19.1000115.9T364 C365T364-N431 WeakPolarHBondContact CG2-ND2 3.38Å; C365-N431 CarbonylContact O-C 3.57Å; C365-N431 VanDerWaalsContact O-CB 3.3Å; C365-N431 WeakPolarHBondContact O-CB 3.47Å
432L89Confident90.2Very high13 Ų1347 Ų477%0.06826%0.255CS..  trans-106120.7174.7-161.769.1000109.1C365 F375 I429 R430 E436 F437 L440C365-L432 HydrophobicContact CB-CB 3.98Å; C365-L432 HydrophobicContact CB-CD1 4.19Å; C365-L432 HydrophobicContact CB-CD2 4.43Å; C365-L432 HydrophobicContact CB-CG 4.45Å; C365-L432 PolarHBondContact O-N 3.42Å; F375-L432 HydrophobicContact CD2-CD1 4.02Å; F375-L432 HydrophobicContact CE2-CD1 3.67Å; F375-L432 HydrophobicContact CE2-CD2 4.42Å; I429-L432 HydrophobicContact CG2-CB 3.82Å; I429-L432 HydrophobicContact CG2-CD2 3.85Å; R430-L432 PolarHBondContact O-N 2.88Å; L432-E436 HydrophobicContact CD1-CB 3.49Å; L432-E436 VanDerWaalsContact CD1-CB 3.49Å; L432-E436 HydrophobicContact CD1-CG 4.48Å; L432-E436 HydrophobicContact CG-CB 3.91Å; L432-F437 HydrophobicContact CD2-CB 3.91Å; L432-F437 HydrophobicContact CD2-CD2 3.88Å; L432-F437 HydrophobicContact CD2-CG 4.41Å; L432-F437 HydrophobicContact CG-CB 4.35Å; L432-L440 HydrophobicContact CD2-CD2 4.14Å
433S88.7Confident90.1Very high46 Ų4647.7 Ų47.732%0.32226%0.262SS..  trans-69.2157.7173.959.40000111.5D435 E436 F437S433-D435 PolarHBondContact O-N 3.23Å; S433-E436 PolarHBondContact N-OE2 3.46Å; S433-E436 PolarHBondContact O-N 3.06Å; S433-E436 WeakPolarHBondContact OG-CB 3.39Å; S433-E436 VanDerWaalsContact OG-CD 3.25Å; S433-E436 VanDerWaalsContact OG-CG 3.23Å; S433-E436 WeakPolarHBondContact OG-CG 3.48Å; S433-E436 PolarHBondContact OG-N 3.24Å; S433-E436 PolarHBondContact OG-OE2 3.38Å; S433-F437 PolarHBondContact O-N 2.95Å
434S88.1Confident90Very high57 Ų5747.7 Ų47.740%0.39926%0.262SS..Hα-helixtrans-55.6-36.8174.7-530000112.1F437 Y438S434-F437 PolarHBondContact O-N 2.82Å; S434-Y438 WeakPolarHBondContact O-CB 3.46Å; S434-Y438 PolarHBondContact O-N 3.15Å
435D88.8Confident89.9Confident121 Ų12146.2 Ų46.265%0.64727%0.265SS*.Hα-helixtrans-66.4-39.9176-69.2-23.7000112.6S433 K439S433-D435 PolarHBondContact O-N 3.23Å; D435-K439 VanDerWaalsContact O-CG 3.29Å; D435-K439 WeakPolarHBondContact O-CG 3.39Å; D435-K439 PolarHBondContact O-N 3.42Å
436E89.7Confident89.7Confident22 Ų2246.4 Ų46.410%0.10327%0.269CS..Hα-helixtrans-71.7-37176.5-73164.214700111.6K368 L432 S433 K439 L440K368-E436 WeakPolarHBondContact CE-OE1 3.41Å; L432-E436 HydrophobicContact CD1-CB 3.49Å; L432-E436 VanDerWaalsContact CD1-CB 3.49Å; L432-E436 HydrophobicContact CD1-CG 4.48Å; L432-E436 HydrophobicContact CG-CB 3.91Å; S433-E436 PolarHBondContact N-OE2 3.46Å; S433-E436 PolarHBondContact O-N 3.06Å; S433-E436 WeakPolarHBondContact OG-CB 3.39Å; S433-E436 VanDerWaalsContact OG-CD 3.25Å; S433-E436 VanDerWaalsContact OG-CG 3.23Å; S433-E436 WeakPolarHBondContact OG-CG 3.48Å; S433-E436 PolarHBondContact OG-N 3.24Å; S433-E436 PolarHBondContact OG-OE2 3.38Å; E436-K439 PolarHBondContact O-N 2.95Å; E436-L440 WeakPolarHBondContact O-CB 3.21Å; E436-L440 PolarHBondContact O-N 3.47Å
437F90.5Very high89.6Confident0 Ų048.1 Ų48.10%028%0.275CS..Hα-helixtrans-63.3-42.1172.6-175-101.1000111.7M420 W424 I429 L432 S433 S434 L440 L441 I453 F457M420-F437 HydrophobicContact CB-CZ 4.2Å; M420-F437 HydrophobicContact CE-CD2 4.15Å; M420-F437 HydrophobicContact CE-CE2 3.43Å; M420-F437 VanDerWaalsContact CE-CE2 3.43Å; M420-F437 HydrophobicContact CE-CZ 4.09Å; W424-F437 HydrophobicContact CB-CE2 4.41Å; W424-F437 HydrophobicContact CB-CZ 4.19Å; W424-F437 HydrophobicContact CD2-CD1 4.44Å; W424-F437 HydrophobicContact CD2-CD2 4.39Å; W424-F437 HydrophobicContact CD2-CE1 4.5Å; W424-F437 HydrophobicContact CD2-CE2 4.4Å; W424-F437 HydrophobicContact CD2-CG 4.38Å; W424-F437 HydrophobicContact CD2-CZ 4.46Å; W424-F437 HydrophobicContact CE3-CB 4.06Å; W424-F437 HydrophobicContact CE3-CD1 4.04Å; W424-F437 AromaticContact CE3-CD2 3.39Å; W424-F437 HydrophobicContact CE3-CD2 3.39Å; W424-F437 HydrophobicContact CE3-CE1 4.33Å; W424-F437 AromaticContact CE3-CE2 3.68Å; W424-F437 HydrophobicContact CE3-CE2 3.68Å; W424-F437 AromaticContact CE3-CG 3.56Å; W424-F437 HydrophobicContact CE3-CG 3.56Å; W424-F437 HydrophobicContact CE3-CZ 4.15Å; W424-F437 HydrophobicContact CH2-CB 3.99Å; W424-F437 HydrophobicContact CH2-CG 4.32Å; W424-F437 HydrophobicContact CZ3-CB 3.49Å; W424-F437 VanDerWaalsContact CZ3-CB 3.49Å; W424-F437 HydrophobicContact CZ3-CD1 4.27Å; W424-F437 AromaticContact CZ3-CD2 3.66Å; W424-F437 HydrophobicContact CZ3-CD2 3.66Å; W424-F437 HydrophobicContact CZ3-CE2 4.41Å; W424-F437 AromaticContact CZ3-CG 3.54Å; W424-F437 HydrophobicContact CZ3-CG 3.54Å; I429-F437 HydrophobicContact CD1-CD2 4.26Å; I429-F437 HydrophobicContact CD1-CE2 3.68Å; L432-F437 HydrophobicContact CD2-CB 3.91Å; L432-F437 HydrophobicContact CD2-CD2 3.88Å; L432-F437 HydrophobicContact CD2-CG 4.41Å; L432-F437 HydrophobicContact CG-CB 4.35Å; S433-F437 PolarHBondContact O-N 2.95Å; S434-F437 PolarHBondContact O-N 2.82Å; F437-L440 WeakPolarHBondContact O-CB 3.46Å; F437-L440 PolarHBondContact O-N 2.81Å; F437-L441 HydrophobicContact CD1-CD1 4.19Å; F437-L441 HydrophobicContact CE1-CD1 3.54Å; F437-L441 HydrophobicContact CE2-CD1 4.36Å; F437-L441 HydrophobicContact CZ-CD1 3.67Å; F437-L441 PolarHBondContact O-N 3.06Å; F437-I453 HydrophobicContact CE1-CG2 4.18Å; F437-F457 AromaticContact CD1-CD2 4Å; F437-F457 HydrophobicContact CD1-CD2 4Å; F437-F457 AromaticContact CD1-CE2 3.94Å; F437-F457 HydrophobicContact CD1-CE2 3.94Å; F437-F457 HydrophobicContact CD1-CG 4.41Å; F437-F457 HydrophobicContact CD1-CZ 4.3Å; F437-F457 AromaticContact CE1-CD2 3.81Å; F437-F457 HydrophobicContact CE1-CD2 3.81Å; F437-F457 AromaticContact CE1-CE2 3.38Å; F437-F457 HydrophobicContact CE1-CE2 3.38Å; F437-F457 AromaticContact CE1-CZ 3.87Å; F437-F457 HydrophobicContact CE1-CZ 3.87Å; F437-F457 HydrophobicContact CZ-CE2 4.33Å
438Y89.9Confident89.5Confident81 Ų8150.6 Ų50.632%0.31829%0.288SS..Hα-helixtrans-59.3-47.9172.2-179.6-85.5000111.4S434 L440 L441 A442 L454 K458S434-Y438 WeakPolarHBondContact O-CB 3.46Å; S434-Y438 PolarHBondContact O-N 3.15Å; Y438-L440 VanDerWaalsContact C-N 3.3Å; Y438-L440 PolarHBondContact O-N 3.18Å; Y438-L441 PolarHBondContact O-N 2.98Å; Y438-A442 WeakPolarHBondContact O-CB 3.3Å; Y438-A442 PolarHBondContact O-N 3.27Å; Y438-L454 HydrophobicContact CD2-CB 4.03Å; Y438-L454 HydrophobicContact CD2-CD1 4.42Å; Y438-L454 HydrophobicContact CD2-CD2 3.42Å; Y438-L454 VanDerWaalsContact CD2-CD2 3.42Å; Y438-L454 HydrophobicContact CD2-CG 4.15Å; Y438-L454 HydrophobicContact CE2-CB 3.92Å; Y438-L454 HydrophobicContact CE2-CD1 4.13Å; Y438-L454 HydrophobicContact CE2-CD2 3.96Å; Y438-L454 HydrophobicContact CE2-CG 4.22Å; Y438-L454 HydrophobicContact CG-CD2 4.02Å; Y438-K458 HydrophobicContact CE2-CD 4.5Å; Y438-K458 PolarHBondContact OH-NZ 3.4Å; Y438-K458 VanDerWaalsContact OH-NZ 3.09Å
439K91.2Very high89.4Confident132 Ų13255.4 Ų55.457%0.57431%0.306SS*.Hα-helixtrans-62.6-35.6177.7-75172.2-176.3176.10113D435 E436 L441 A442D435-K439 VanDerWaalsContact O-CG 3.29Å; D435-K439 WeakPolarHBondContact O-CG 3.39Å; D435-K439 PolarHBondContact O-N 3.42Å; E436-K439 PolarHBondContact O-N 2.95Å; K439-L441 VanDerWaalsContact C-N 3.35Å; K439-A442 PolarHBondContact O-N 3.39Å
440L91.8Very high89.3Confident4 Ų454.8 Ų54.82%0.02130%0.303CS..Hα-helixtrans-62.1-43.4177.5176.463.6000110.9F375 L378 E379 I382 M420 L432 E436 F437 Y438 P443F375-L440 HydrophobicContact CE2-CD1 4Å; F375-L440 HydrophobicContact CE2-CD2 4.06Å; F375-L440 HydrophobicContact CE2-CG 4.44Å; F375-L440 HydrophobicContact CZ-CD1 3.94Å; L378-L440 HydrophobicContact CB-CD2 4.45Å; E379-L440 HydrophobicContact CB-CD1 4.02Å; E379-L440 HydrophobicContact CG-CD1 4.39Å; I382-L440 HydrophobicContact CD1-CD1 3.62Å; I382-L440 HydrophobicContact CD1-CD2 4.01Å; I382-L440 HydrophobicContact CD1-CG 3.43Å; I382-L440 VanDerWaalsContact CD1-CG 3.43Å; M420-L440 HydrophobicContact CE-CD2 3.77Å; L432-L440 HydrophobicContact CD2-CD2 4.14Å; E436-L440 WeakPolarHBondContact O-CB 3.21Å; E436-L440 PolarHBondContact O-N 3.47Å; F437-L440 WeakPolarHBondContact O-CB 3.46Å; F437-L440 PolarHBondContact O-N 2.81Å; Y438-L440 VanDerWaalsContact C-N 3.3Å; Y438-L440 PolarHBondContact O-N 3.18Å; L440-P443 WeakPolarHBondContact O-CD 3.25Å
441L93.3Very high89.3Confident0 Ų054.8 Ų54.80%031%0.309CS..Hα-helixtrans-87.7-11.9-179.4-69.8176.9000114.4I382 M420 F437 Y438 K439 P443 L444 I450 I453 L454I382-L441 HydrophobicContact CD1-CD2 3.85Å; I382-L441 HydrophobicContact CG1-CD2 4.42Å; M420-L441 HydrophobicContact CE-CD2 4.05Å; M420-L441 HydrophobicContact CE-CG 4.38Å; M420-L441 HydrophobicContact CG-CD2 4.19Å; F437-L441 HydrophobicContact CD1-CD1 4.19Å; F437-L441 HydrophobicContact CE1-CD1 3.54Å; F437-L441 HydrophobicContact CE2-CD1 4.36Å; F437-L441 HydrophobicContact CZ-CD1 3.67Å; F437-L441 PolarHBondContact O-N 3.06Å; Y438-L441 PolarHBondContact O-N 2.98Å; K439-L441 VanDerWaalsContact C-N 3.35Å; L441-P443 VanDerWaalsContact C-N 3.32Å; L441-L444 PolarHBondContact O-N 3.26Å; L441-I450 HydrophobicContact CB-CG2 4.16Å; L441-I453 HydrophobicContact CD1-CG2 4.08Å; L441-L454 HydrophobicContact CB-CD2 3.87Å; L441-L454 HydrophobicContact CD1-CD2 4.19Å
442A90.2Very high89.1Confident46 Ų4652.9 Ų52.938%0.3830%0.298SS..G310 helixtrans-51.5-37-176.600000115.4Y438 K439 L444 G445Y438-A442 WeakPolarHBondContact O-CB 3.3Å; Y438-A442 PolarHBondContact O-N 3.27Å; K439-A442 PolarHBondContact O-N 3.39Å; A442-L444 PolarHBondContact O-N 2.97Å; A442-L444 VanDerWaalsContact O-N 3.12Å; A442-G445 PolarHBondContact O-N 3.03Å
443P91.3Very high89Confident59 Ų5952.8 Ų52.838%0.38330%0.297SS..G310 helixtrans-57.1-26.1175.5-26.536.4000114H386 L440 L441H386-P443 HydrophobicContact CB-CB 4.43Å; H386-P443 PolarHBondContact CD2-O 3.37Å; L440-P443 WeakPolarHBondContact O-CD 3.25Å; L441-P443 VanDerWaalsContact C-N 3.32Å
444L91.8Very high88.8Confident0 Ų050.8 Ų50.80%028%0.283CS..G310 helixtrans-102.18.7179.3-61.4174.4000112.9I382 V385 H386 L416 L441 A442 C446 H447 I450I382-L444 HydrophobicContact CG2-CD1 3.94Å; I382-L444 HydrophobicContact CG2-CG 4.23Å; V385-L444 HydrophobicContact CB-CD1 4.3Å; V385-L444 HydrophobicContact CG1-CD1 3.85Å; V385-L444 HydrophobicContact CG1-CD2 3.97Å; H386-L444 HydrophobicContact CB-CD2 3.69Å; H386-L444 HydrophobicContact CB-CG 4.42Å; L416-L444 HydrophobicContact CD2-CD1 3.34Å; L441-L444 PolarHBondContact O-N 3.26Å; A442-L444 PolarHBondContact O-N 2.97Å; A442-L444 VanDerWaalsContact O-N 3.12Å; L444-C446 PolarHBondContact O-N 2.94Å; L444-H447 WeakPolarHBondContact O-CB 3.05Å; L444-H447 PolarHBondContact O-CD2 3.44Å; L444-H447 PolarHBondContact O-N 3.23Å; L444-I450 HydrophobicContact CB-CB 4.39Å; L444-I450 HydrophobicContact CB-CG1 3.94Å; L444-I450 HydrophobicContact CB-CG2 4.13Å; L444-I450 WeakPolarHBondContact O-CB 3.26Å
445G86.8Confident88.5Confident26 Ų2650.7 Ų50.727%0.26828%0.28SS..THydrogen-bonded Turntrans-65-11.4-174.800000115A442 H447A442-G445 PolarHBondContact O-N 3.03Å; G445-H447 VanDerWaalsContact C-N 3.26Å
446C85Confident88Confident107 Ų10751.8 Ų51.872%0.72328%0.275SS*.THydrogen-bonded Turntrans-75.2-13.9171.859.20000113.4L444L444-C446 PolarHBondContact O-N 2.94Å
447H88.1Confident87Confident51 Ų5152.6 Ų52.624%0.23628%0.278CS..SBendtrans-91.3129.6179.4-62-73.4000111.2I413 L444 G445 W449 I450 D451I413-H447 HydrophobicContact CD1-CB 4.25Å; I413-H447 VanDerWaalsContact CD1-CE1 3.42Å; I413-H447 WeakPolarHBondContact CD1-CE1 3.36Å; I413-H447 VanDerWaalsContact CD1-ND1 3.28Å; I413-H447 WeakPolarHBondContact CD1-ND1 3.46Å; I413-H447 HydrophobicContact CG2-CB 4.06Å; L444-H447 WeakPolarHBondContact O-CB 3.05Å; L444-H447 PolarHBondContact O-CD2 3.44Å; L444-H447 PolarHBondContact O-N 3.23Å; G445-H447 VanDerWaalsContact C-N 3.26Å; H447-W449 VanDerWaalsContact C-N 3.29Å; H447-W449 PolarHBondContact O-N 3.41Å; H447-I450 HydrophobicContact CB-CG1 4.38Å; H447-I450 PolarHBondContact O-N 3.27Å; H447-D451 PolarHBondContact O-N 2.97Å
448S86.9Confident85.7Confident83 Ų8359.4 Ų59.458%0.5831%0.308SS*.Hα-helixtrans-53.3-40-174.853.80000114.3D451 L452S448-D451 PolarHBondContact O-N 3.48Å; S448-L452 WeakPolarHBondContact O-CB 3.38Å; S448-L452 PolarHBondContact O-N 3.08Å
449W86.3Confident83.8Confident103 Ų10368.8 Ų68.839%0.3934%0.343SS..Hα-helixtrans-66.4-38.7178.5-67.9104000113E410 I413 I414 A417 H447 I453E410-W449 PolarHBondContact OE1-NE1 2.81Å; I413-W449 HydrophobicContact CG2-CB 4.28Å; I414-W449 HydrophobicContact CD1-CZ2 4.06Å; I414-W449 HydrophobicContact CG1-CD2 3.88Å; I414-W449 HydrophobicContact CG1-CG 3.91Å; I414-W449 HydrophobicContact CG1-CZ2 4.25Å; A417-W449 HydrophobicContact CB-CB 4.31Å; H447-W449 VanDerWaalsContact C-N 3.29Å; H447-W449 PolarHBondContact O-N 3.41Å; W449-I453 WeakPolarHBondContact O-CG1 3.38Å; W449-I453 PolarHBondContact O-N 2.62Å
450I89.9Confident83.4Confident0 Ų065.7 Ų65.70%033%0.331CS..Hα-helixtrans-74.1-41.1176.5-60.4-63.9000109.8I413 A417 L441 L444 H447 L452 I453 L454I413-I450 HydrophobicContact CG2-CD1 4.33Å; I413-I450 HydrophobicContact CG2-CG1 3.86Å; A417-I450 HydrophobicContact CB-CD1 3.89Å; L441-I450 HydrophobicContact CB-CG2 4.16Å; L444-I450 HydrophobicContact CB-CB 4.39Å; L444-I450 HydrophobicContact CB-CG1 3.94Å; L444-I450 HydrophobicContact CB-CG2 4.13Å; L444-I450 WeakPolarHBondContact O-CB 3.26Å; H447-I450 HydrophobicContact CB-CG1 4.38Å; H447-I450 PolarHBondContact O-N 3.27Å; I450-L452 VanDerWaalsContact C-N 3.28Å; I450-L452 PolarHBondContact O-N 3.34Å; I450-I453 WeakPolarHBondContact O-CB 3.48Å; I450-I453 PolarHBondContact O-N 2.71Å; I450-I453 VanDerWaalsContact O-N 3.11Å; I450-L454 HydrophobicContact CG2-CD1 3.79Å; I450-L454 HydrophobicContact CG2-CG 4.15Å; I450-L454 VanDerWaalsContact O-CG 3.27Å; I450-L454 WeakPolarHBondContact O-CG 3.35Å; I450-L454 PolarHBondContact O-N 3.47Å
451D88Confident83Confident79 Ų7968.9 Ų68.942%0.42235%0.348SS..Hα-helixtrans-59.9-38.9173.9-171.948.8000111.8H447 S448 I453 L454 T455H447-D451 PolarHBondContact O-N 2.97Å; S448-D451 PolarHBondContact O-N 3.48Å; D451-I453 VanDerWaalsContact C-N 3.31Å; D451-I453 PolarHBondContact O-N 3.09Å; D451-L454 PolarHBondContact O-N 2.88Å; D451-T455 WeakPolarHBondContact O-CB 2.93Å; D451-T455 VanDerWaalsContact O-CG2 3.24Å; D451-T455 WeakPolarHBondContact O-CG2 3.34Å; D451-T455 PolarHBondContact O-N 3.49Å; D451-T455 PolarHBondContact O-OG1 2.81Å
452L86.6Confident82.4Confident81 Ų8172.7 Ų72.742%0.42437%0.367SS..Hα-helixtrans-61.2-38.6174.2-176.465.9000112.7S448 I450 T455 R456S448-L452 WeakPolarHBondContact O-CB 3.38Å; S448-L452 PolarHBondContact O-N 3.08Å; I450-L452 VanDerWaalsContact C-N 3.28Å; I450-L452 PolarHBondContact O-N 3.34Å; L452-T455 WeakPolarHBondContact CA-OG1 3.4Å; L452-T455 PolarHBondContact O-OG1 2.92Å; L452-R456 WeakPolarHBondContact O-CG 3.34Å
453I86Confident82Confident11 Ų1174.3 Ų74.36%0.05637%0.366CS..Hα-helixtrans-66.8-51.5173.4-70.9176.9000109.5A417 Q421 F437 L441 W449 I450 D451 T455 R456 F457A417-I453 VanDerWaalsContact CA-CD1 3.48Å; A417-I453 HydrophobicContact CB-CD1 3.47Å; A417-I453 VanDerWaalsContact CB-CD1 3.47Å; A417-I453 WeakPolarHBondContact O-CD1 3.43Å; Q421-I453 HydrophobicContact CB-CD1 4.03Å; Q421-I453 HydrophobicContact CB-CG1 4.42Å; F437-I453 HydrophobicContact CE1-CG2 4.18Å; L441-I453 HydrophobicContact CD1-CG2 4.08Å; W449-I453 WeakPolarHBondContact O-CG1 3.38Å; W449-I453 PolarHBondContact O-N 2.62Å; I450-I453 WeakPolarHBondContact O-CB 3.48Å; I450-I453 PolarHBondContact O-N 2.71Å; I450-I453 VanDerWaalsContact O-N 3.11Å; D451-I453 VanDerWaalsContact C-N 3.31Å; D451-I453 PolarHBondContact O-N 3.09Å; I453-T455 VanDerWaalsContact C-N 3.32Å; I453-T455 PolarHBondContact O-N 3.42Å; I453-R456 WeakPolarHBondContact O-CB 3.21Å; I453-R456 PolarHBondContact O-N 3Å; I453-R456 VanDerWaalsContact O-N 3.1Å; I453-F457 HydrophobicContact CG2-CD2 4.06Å; I453-F457 HydrophobicContact CG2-CE2 3.64Å; I453-F457 WeakPolarHBondContact O-CD2 3.01Å
454L84Confident81.4Confident3 Ų375.3 Ų75.32%0.01637%0.365CS..Hα-helixtrans-62.6-36.4-176-67.8173000113.2Y438 L441 I450 D451 R456 F457 K458Y438-L454 HydrophobicContact CD2-CB 4.03Å; Y438-L454 HydrophobicContact CD2-CD1 4.42Å; Y438-L454 HydrophobicContact CD2-CD2 3.42Å; Y438-L454 VanDerWaalsContact CD2-CD2 3.42Å; Y438-L454 HydrophobicContact CD2-CG 4.15Å; Y438-L454 HydrophobicContact CE2-CB 3.92Å; Y438-L454 HydrophobicContact CE2-CD1 4.13Å; Y438-L454 HydrophobicContact CE2-CD2 3.96Å; Y438-L454 HydrophobicContact CE2-CG 4.22Å; Y438-L454 HydrophobicContact CG-CD2 4.02Å; L441-L454 HydrophobicContact CB-CD2 3.87Å; L441-L454 HydrophobicContact CD1-CD2 4.19Å; I450-L454 HydrophobicContact CG2-CD1 3.79Å; I450-L454 HydrophobicContact CG2-CG 4.15Å; I450-L454 VanDerWaalsContact O-CG 3.27Å; I450-L454 WeakPolarHBondContact O-CG 3.35Å; I450-L454 PolarHBondContact O-N 3.47Å; D451-L454 PolarHBondContact O-N 2.88Å; L454-R456 VanDerWaalsContact C-N 3.28Å; L454-R456 PolarHBondContact O-N 3.24Å; L454-F457 PolarHBondContact O-N 2.86Å; L454-F457 VanDerWaalsContact O-N 3.1Å; L454-K458 PolarHBondContact O-N 2.96Å
455T82.3Confident80.7Confident55 Ų5580.3 Ų80.334%0.33739%0.389SS..Hα-helixtrans-66.9-27.9176.949.60000112.8D451 L452 I453 F457D451-T455 WeakPolarHBondContact O-CB 2.93Å; D451-T455 VanDerWaalsContact O-CG2 3.24Å; D451-T455 WeakPolarHBondContact O-CG2 3.34Å; D451-T455 PolarHBondContact O-N 3.49Å; D451-T455 PolarHBondContact O-OG1 2.81Å; L452-T455 WeakPolarHBondContact CA-OG1 3.4Å; L452-T455 PolarHBondContact O-OG1 2.92Å; I453-T455 VanDerWaalsContact C-N 3.32Å; I453-T455 PolarHBondContact O-N 3.42Å; T455-F457 VanDerWaalsContact C-N 3.27Å; T455-F457 PolarHBondContact O-N 3.24Å
456R78.3Confident80.2Confident145 Ų14584.1 Ų84.155%0.54740%0.398SS..Hα-helixtrans-71.5-20.5172.1-68.6176.6178.7-1760.3113.1L452 I453 L454L452-R456 WeakPolarHBondContact O-CG 3.34Å; I453-R456 WeakPolarHBondContact O-CB 3.21Å; I453-R456 PolarHBondContact O-N 3Å; I453-R456 VanDerWaalsContact O-N 3.1Å; L454-R456 VanDerWaalsContact C-N 3.28Å; L454-R456 PolarHBondContact O-N 3.24Å
457F69.6Low79.9Confident39 Ų3982.4 Ų82.417%0.17137%0.373CS..Hα-helixtrans-91.4-15.1178.5-72.4-65.3000114.8W424 F437 I453 L454 T455W424-F457 HydrophobicContact CB-CZ 4.3Å; W424-F457 AromaticContact CD1-CE1 3.37Å; W424-F457 AromaticContact CD1-CZ 3.34Å; W424-F457 AromaticContact CD2-CE1 3.91Å; W424-F457 HydrophobicContact CD2-CE1 3.91Å; W424-F457 AromaticContact CD2-CZ 3.94Å; W424-F457 HydrophobicContact CD2-CZ 3.94Å; W424-F457 AromaticContact CE2-CE1 3.39Å; W424-F457 AromaticContact CE2-CZ 3.92Å; W424-F457 AromaticContact CG-CE1 3.88Å; W424-F457 HydrophobicContact CG-CE1 3.88Å; W424-F457 AromaticContact CG-CZ 3.57Å; W424-F457 HydrophobicContact CG-CZ 3.57Å; W424-F457 HydrophobicContact CZ2-CD1 4.37Å; W424-F457 AromaticContact CZ2-CE1 3.97Å; W424-F457 HydrophobicContact CZ2-CE1 3.97Å; W424-F457 AromaticContact NE1-CE1 3.11Å; W424-F457 AromaticContact NE1-CZ 3.62Å; F437-F457 AromaticContact CD1-CD2 4Å; F437-F457 HydrophobicContact CD1-CD2 4Å; F437-F457 AromaticContact CD1-CE2 3.94Å; F437-F457 HydrophobicContact CD1-CE2 3.94Å; F437-F457 HydrophobicContact CD1-CG 4.41Å; F437-F457 HydrophobicContact CD1-CZ 4.3Å; F437-F457 AromaticContact CE1-CD2 3.81Å; F437-F457 HydrophobicContact CE1-CD2 3.81Å; F437-F457 AromaticContact CE1-CE2 3.38Å; F437-F457 HydrophobicContact CE1-CE2 3.38Å; F437-F457 AromaticContact CE1-CZ 3.87Å; F437-F457 HydrophobicContact CE1-CZ 3.87Å; F437-F457 HydrophobicContact CZ-CE2 4.33Å; I453-F457 HydrophobicContact CG2-CD2 4.06Å; I453-F457 HydrophobicContact CG2-CE2 3.64Å; I453-F457 WeakPolarHBondContact O-CD2 3.01Å; L454-F457 PolarHBondContact O-N 2.86Å; L454-F457 VanDerWaalsContact O-N 3.1Å; T455-F457 VanDerWaalsContact C-N 3.27Å; T455-F457 PolarHBondContact O-N 3.24Å
458K63.7Low79.2Confident142 Ų14285 Ų8562%0.61739%0.385SS*.  trans-83.9-12.3175.5-76.5-177.2176.7166.20113.9Y438 L454Y438-K458 HydrophobicContact CE2-CD 4.5Å; Y438-K458 PolarHBondContact OH-NZ 3.4Å; Y438-K458 VanDerWaalsContact OH-NZ 3.09Å; L454-K458 PolarHBondContact O-N 2.96Å
459R48.8Very low78.5Confident279 Ų27985.2 Ų85.2100%1.05337%0.367SS*.  trans-97.60176.6-65.2-176.8-178.6-179.51.2109.5

Retrieved 459 of 459 residues in 153.5 ms (Link to these results)

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