A0A096MZP0_PAPAN Loading...

PGAP2-interacting protein

Involved in lipid remodeling during GPI-anchor maturation.

AlphaFold DB , UniProt , Accession A0A096MZP0, Species PAPAN (Papio anubis, Olive baboon), Gene CWH43, Length 699 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.9Very low82.1Confident195 Ų19562.9 Ų62.996%0.96132%0.318SS*.  0130.50-75.8-171.4158.600107.5S3 L385M1-S3 PolarHBondContact O-N 3.32Å; M1-L385 HydrophobicContact CE-CD1 3.86Å; M1-L385 HydrophobicContact CE-CD2 4.48Å; M1-L385 HydrophobicContact SD-CD2 4.08Å
2P54.7Low83.3Confident69 Ų6957.8 Ų57.845%0.44829%0.292SS..  trans-51.3142.8167.421.5-29.4000109L4 E7P2-L4 PolarHBondContact O-N 2.78Å; P2-E7 HydrophobicContact CG-CG 4.49Å; P2-E7 VanDerWaalsContact CG-OE1 3.3Å; P2-E7 WeakPolarHBondContact CG-OE1 3.46Å
3S80.4Confident84.4Confident74 Ų7456.2 Ų56.252%0.51728%0.284SS..  trans-54.5125180177.70000109M1 W5 R6 E7M1-S3 PolarHBondContact O-N 3.32Å; S3-W5 PolarHBondContact O-N 3.46Å; S3-R6 WeakPolarHBondContact O-CA 3.38Å; S3-R6 WeakPolarHBondContact O-CB 3.31Å; S3-R6 PolarHBondContact O-N 3.48Å; S3-E7 PolarHBondContact O-N 2.86Å
4L83.8Confident85.2Confident24 Ų2453.8 Ų53.813%0.12627%0.273CS..Hα-helixtrans-53.8-30.7-179.7-168.466.6000111.6P2 E7 I8 L121 K388 S389 Y392P2-L4 PolarHBondContact O-N 2.78Å; L4-E7 PolarHBondContact O-N 3.18Å; L4-I8 HydrophobicContact CG-CD1 4.38Å; L4-I8 WeakPolarHBondContact O-CG1 3.49Å; L4-I8 PolarHBondContact O-N 2.79Å; L4-I8 VanDerWaalsContact O-N 3.12Å; L4-L121 HydrophobicContact CD1-CD1 4.44Å; L4-L121 HydrophobicContact CD1-CD2 4.38Å; L4-K388 HydrophobicContact CD2-CB 4.16Å; L4-K388 HydrophobicContact CD2-CD 4.38Å; L4-K388 HydrophobicContact CD2-CG 3.93Å; L4-S389 VanDerWaalsContact CD2-CA 3.41Å; L4-Y392 HydrophobicContact CB-CD2 3.91Å; L4-Y392 HydrophobicContact CB-CE2 4.01Å; L4-Y392 HydrophobicContact CD2-CD2 3.56Å; L4-Y392 HydrophobicContact CD2-CE2 3.89Å; L4-Y392 HydrophobicContact CG-CD2 3.95Å; L4-Y392 HydrophobicContact CG-CE2 4.42Å
5W87.6Confident86Confident71 Ų7150.5 Ų50.527%0.26926%0.257SS..Hα-helixtrans-59-43170.9-79.9114.3000113.8S3 E7 I8 L9 Y392 L395 F396S3-W5 PolarHBondContact O-N 3.46Å; W5-E7 VanDerWaalsContact C-N 3.33Å; W5-E7 PolarHBondContact O-N 2.88Å; W5-I8 PolarHBondContact O-N 2.82Å; W5-L9 WeakPolarHBondContact O-CB 3.3Å; W5-L9 VanDerWaalsContact O-CG 3.25Å; W5-L9 WeakPolarHBondContact O-CG 3.15Å; W5-L9 PolarHBondContact O-N 2.87Å; W5-Y392 AromaticContact CD1-CE2 3.94Å; W5-Y392 HydrophobicContact CD2-CD2 4.35Å; W5-Y392 HydrophobicContact CD2-CG 4.26Å; W5-Y392 AromaticContact CE2-CD1 3.67Å; W5-Y392 AromaticContact CE2-CG 3.67Å; W5-Y392 HydrophobicContact CG-CD2 4.39Å; W5-Y392 HydrophobicContact CH2-CD1 4.41Å; W5-Y392 HydrophobicContact CH2-CG 4.44Å; W5-Y392 WeakPolarHBondContact CH2-O 3.47Å; W5-Y392 AromaticContact CZ2-CD1 3.51Å; W5-Y392 HydrophobicContact CZ2-CD1 3.51Å; W5-Y392 HydrophobicContact CZ2-CE1 4.14Å; W5-Y392 AromaticContact CZ2-CG 3.77Å; W5-Y392 HydrophobicContact CZ2-CG 3.77Å; W5-Y392 AromaticContact NE1-CD1 3.73Å; W5-Y392 AromaticContact NE1-CD2 3.83Å; W5-Y392 AromaticContact NE1-CE1 3.62Å; W5-Y392 AromaticContact NE1-CE2 3.76Å; W5-Y392 AromaticContact NE1-CG 3.85Å; W5-Y392 AromaticContact NE1-CZ 3.65Å; W5-L395 HydrophobicContact CH2-CB 4.02Å; W5-L395 HydrophobicContact CH2-CD2 3.72Å; W5-L395 HydrophobicContact CH2-CG 3.93Å; W5-L395 HydrophobicContact CZ2-CD2 3.57Å; W5-L395 HydrophobicContact CZ2-CG 4.3Å; W5-F396 HydrophobicContact CH2-CB 4.45Å; W5-F396 HydrophobicContact CZ3-CB 3.87Å; W5-F396 HydrophobicContact CZ3-CD2 4.26Å; W5-F396 HydrophobicContact CZ3-CG 4.4Å
6R89.9Confident86.7Confident111 Ų11147.4 Ų47.442%0.41924%0.242SC..Hα-helixtrans-59.9-47.4177.1-173.1-175.6-172.6-127.85.2110S3 I8 L9 L10 D166S3-R6 WeakPolarHBondContact O-CA 3.38Å; S3-R6 WeakPolarHBondContact O-CB 3.31Å; S3-R6 PolarHBondContact O-N 3.48Å; R6-I8 PolarHBondContact O-N 3.38Å; R6-L9 PolarHBondContact O-N 3.3Å; R6-L10 HydrophobicContact CG-CD1 3.99Å; R6-L10 HydrophobicContact CG-CG 4.4Å; R6-L10 WeakPolarHBondContact O-CB 3.33Å; R6-L10 WeakPolarHBondContact O-CG 3.28Å; R6-L10 PolarHBondContact O-N 3.32Å; R6-D166 VanDerWaalsContact CZ-CG 3.49Å; R6-D166 IonicContact CZ-OD1 3.08Å; R6-D166 IonicContact CZ-OD2 3.51Å; R6-D166 VanDerWaalsContact NH1-CG 3.32Å; R6-D166 IonicContact NH1-OD1 2.8Å; R6-D166 PolarHBondContact NH1-OD1 3.44Å; R6-D166 IonicContact NH1-OD2 3.17Å; R6-D166 PolarHBondContact NH1-OD2 2.92Å; R6-D166 IonicContact NH2-OD1 2.65Å; R6-D166 PolarHBondContact NH2-OD1 3Å; R6-D166 IonicContact NH2-OD2 3.68Å
7E89.6Confident87.4Confident23 Ų2344.8 Ų44.811%0.10723%0.228CC..Hα-helixtrans-58.4-46.8179.3-65.3-67152.200112.2P2 S3 L4 W5 L10 E11 L121 R167P2-E7 HydrophobicContact CG-CG 4.49Å; P2-E7 VanDerWaalsContact CG-OE1 3.3Å; P2-E7 WeakPolarHBondContact CG-OE1 3.46Å; S3-E7 PolarHBondContact O-N 2.86Å; L4-E7 PolarHBondContact O-N 3.18Å; W5-E7 VanDerWaalsContact C-N 3.33Å; W5-E7 PolarHBondContact O-N 2.88Å; E7-L10 PolarHBondContact O-N 3.35Å; E7-E11 WeakPolarHBondContact O-CG 3.34Å; E7-E11 PolarHBondContact O-N 3.32Å; E7-L121 HydrophobicContact CB-CD1 4.1Å; E7-R167 PolarHBondContact O-NH2 3.43Å; E7-R167 IonicContact OE1-NH1 3.37Å; E7-R167 IonicContact OE2-CZ 2.77Å; E7-R167 IonicContact OE2-NH1 2.97Å; E7-R167 PolarHBondContact OE2-NH1 3.16Å; E7-R167 IonicContact OE2-NH2 3.63Å; E7-R167 PolarHBondContact OE2-NH2 3.12Å
8I91.9Very high87.9Confident0 Ų042.8 Ų42.80%022%0.219CC..Hα-helixtrans-60-47.8178.5-66.7173.8000111.2L4 W5 R6 S12 L121 L128 Y392 M393 F396L4-I8 HydrophobicContact CG-CD1 4.38Å; L4-I8 WeakPolarHBondContact O-CG1 3.49Å; L4-I8 PolarHBondContact O-N 2.79Å; L4-I8 VanDerWaalsContact O-N 3.12Å; W5-I8 PolarHBondContact O-N 2.82Å; R6-I8 PolarHBondContact O-N 3.38Å; I8-S12 VanDerWaalsContact O-CB 3.29Å; I8-S12 WeakPolarHBondContact O-CB 3.27Å; I8-S12 PolarHBondContact O-N 3.14Å; I8-S12 PolarHBondContact O-OG 3.35Å; I8-L121 HydrophobicContact CG1-CD2 4.17Å; I8-L128 HydrophobicContact CG2-CD1 4.36Å; I8-Y392 VanDerWaalsContact CD1-CB 3.46Å; I8-M393 HydrophobicContact CB-CE 4.09Å; I8-M393 HydrophobicContact CB-SD 3.94Å; I8-M393 HydrophobicContact CD1-CE 4.18Å; I8-M393 HydrophobicContact CD1-CG 4.15Å; I8-M393 HydrophobicContact CD1-SD 3.71Å; I8-M393 HydrophobicContact CG1-CE 3.49Å; I8-M393 VanDerWaalsContact CG1-CE 3.49Å; I8-M393 HydrophobicContact CG1-CG 4.48Å; I8-M393 HydrophobicContact CG1-SD 3.53Å; I8-M393 VanDerWaalsContact CG1-SD 3.53Å; I8-M393 HydrophobicContact CG2-CE 4Å; I8-M393 HydrophobicContact CG2-SD 3.3Å; I8-M393 WeakPolarHBondContact CG2-SD 3.15Å; I8-F396 HydrophobicContact CG2-CB 4.46Å; I8-F396 HydrophobicContact CG2-CD1 4.02Å; I8-F396 HydrophobicContact CG2-CG 4.31Å
9L93.6Very high88.4Confident86 Ų8640.6 Ų40.645%0.4521%0.208SC..Hα-helixtrans-62.4-45.1-179.8-72.4168.1000111.6W5 R6 S12 L13 F396W5-L9 WeakPolarHBondContact O-CB 3.3Å; W5-L9 VanDerWaalsContact O-CG 3.25Å; W5-L9 WeakPolarHBondContact O-CG 3.15Å; W5-L9 PolarHBondContact O-N 2.87Å; R6-L9 PolarHBondContact O-N 3.3Å; L9-S12 PolarHBondContact O-N 3.46Å; L9-L13 WeakPolarHBondContact O-CB 3.48Å; L9-L13 PolarHBondContact O-N 3.07Å; L9-F396 HydrophobicContact CD2-CD2 4.22Å; L9-F396 HydrophobicContact CD2-CE2 3.44Å; L9-F396 VanDerWaalsContact CD2-CE2 3.44Å; L9-F396 HydrophobicContact CD2-CZ 3.63Å
10L94Very high88.9Confident24 Ų2438.6 Ų38.613%0.12620%0.197CC..Hα-helixtrans-65.4-45.6-179.7-67177.8000112R6 E7 S12 L13 L14 A163 D166R6-L10 HydrophobicContact CG-CD1 3.99Å; R6-L10 HydrophobicContact CG-CG 4.4Å; R6-L10 WeakPolarHBondContact O-CB 3.33Å; R6-L10 WeakPolarHBondContact O-CG 3.28Å; R6-L10 PolarHBondContact O-N 3.32Å; E7-L10 PolarHBondContact O-N 3.35Å; L10-S12 VanDerWaalsContact C-N 3.33Å; L10-L13 PolarHBondContact O-N 2.75Å; L10-L14 WeakPolarHBondContact O-CG 3.34Å; L10-L14 PolarHBondContact O-N 3.29Å; L10-L14 VanDerWaalsContact O-N 3.07Å; L10-A163 HydrophobicContact CD2-CB 3.48Å; L10-A163 VanDerWaalsContact CD2-CB 3.48Å; L10-D166 HydrophobicContact CD1-CB 4.23Å; L10-D166 WeakPolarHBondContact CD1-OD2 3.3Å
11E94.1Very high89.3Confident15 Ų1536.8 Ų36.87%0.0719%0.188CC..Hα-helixtrans-67.7-34.5177.5-65.3-62.8166.800111.8E7 L14 G15 L121 R122 G125 R167E7-E11 WeakPolarHBondContact O-CG 3.34Å; E7-E11 PolarHBondContact O-N 3.32Å; E11-L14 PolarHBondContact O-N 3.37Å; E11-G15 PolarHBondContact O-N 3.4Å; E11-L121 HydrophobicContact CG-CB 4.46Å; E11-R122 HydrophobicContact CG-CG 4.41Å; E11-R122 WeakPolarHBondContact OE2-CG 3.48Å; E11-G125 CarbonylContact O-C 3.53Å; E11-R167 IonicContact OE1-CZ 3.15Å; E11-R167 IonicContact OE1-NE 2.78Å; E11-R167 PolarHBondContact OE1-NE 3.05Å; E11-R167 IonicContact OE1-NH1 3.74Å; E11-R167 IonicContact OE1-NH2 3.57Å; E11-R167 PolarHBondContact OE1-NH2 2.74Å
12S96.7Very high91.8Very high2 Ų227.7 Ų27.71%0.01414%0.143CC..Hα-helixtrans-65.7-39.4174.6-56.30000112.1I8 L9 L10 G15 Y16 G125 G129I8-S12 VanDerWaalsContact O-CB 3.29Å; I8-S12 WeakPolarHBondContact O-CB 3.27Å; I8-S12 PolarHBondContact O-N 3.14Å; I8-S12 PolarHBondContact O-OG 3.35Å; L9-S12 PolarHBondContact O-N 3.46Å; L10-S12 VanDerWaalsContact C-N 3.33Å; S12-G15 PolarHBondContact O-N 3.42Å; S12-Y16 WeakPolarHBondContact O-CB 3.35Å; S12-Y16 PolarHBondContact O-N 3.07Å; S12-G125 WeakPolarHBondContact CA-O 3.34Å; S12-G129 WeakPolarHBondContact O-CA 3.23Å
13L96.9Very high93.8Very high36 Ų3624.7 Ų24.719%0.18812%0.123CC..Hα-helixtrans-65.2-43.3175.6-177.663.5000111.7L9 L10 G15 Y16 I17 L159 A163L9-L13 WeakPolarHBondContact O-CB 3.48Å; L9-L13 PolarHBondContact O-N 3.07Å; L10-L13 PolarHBondContact O-N 2.75Å; L13-G15 VanDerWaalsContact C-N 3.34Å; L13-Y16 HydrophobicContact CD1-CD1 4.16Å; L13-Y16 WeakPolarHBondContact O-CB 3.07Å; L13-Y16 PolarHBondContact O-N 3.38Å; L13-I17 WeakPolarHBondContact O-CG1 3.25Å; L13-I17 PolarHBondContact O-N 3.47Å; L13-L159 HydrophobicContact CD2-CB 4.02Å; L13-A163 HydrophobicContact CD2-CB 4.02Å
14L95.5Very high94.5Very high23 Ų2321.6 Ų21.612%0.1210%0.101CC..Hα-helixtrans-66.2-37.3175.9-66.4173.4000112.3L10 E11 I17 S18 T160 R167L10-L14 WeakPolarHBondContact O-CG 3.34Å; L10-L14 PolarHBondContact O-N 3.29Å; L10-L14 VanDerWaalsContact O-N 3.07Å; E11-L14 PolarHBondContact O-N 3.37Å; L14-I17 PolarHBondContact O-N 3.29Å; L14-S18 PolarHBondContact O-N 3.05Å; L14-S18 VanDerWaalsContact O-N 3.15Å; L14-S18 PolarHBondContact O-OG 2.82Å; L14-T160 HydrophobicContact CD2-CG2 3.9Å; L14-R167 HydrophobicContact CD1-CG 3.94Å
15G96.9Very high95Very high4 Ų420.5 Ų20.54%0.04110%0.095CC..Hα-helixtrans-58.8-47.817000000111.9E11 S12 L13 I17 S18 W19E11-G15 PolarHBondContact O-N 3.4Å; S12-G15 PolarHBondContact O-N 3.42Å; L13-G15 VanDerWaalsContact C-N 3.34Å; G15-I17 VanDerWaalsContact C-N 3.34Å; G15-I17 PolarHBondContact O-N 3.07Å; G15-S18 WeakPolarHBondContact O-CB 3.4Å; G15-S18 PolarHBondContact O-N 3.12Å; G15-S18 VanDerWaalsContact O-N 3.11Å; G15-W19 VanDerWaalsContact O-CD1 3.29Å; G15-W19 PolarHBondContact O-N 3.33Å
16Y98.1Very high95.3Very high2 Ų217.6 Ų17.61%0.0089%0.088CC..Hα-helixtrans-58.3-42.1177.6164.9-112.5000112.9S12 L13 S18 W19 S20 V132 L133 L136 N144 I146 I156S12-Y16 WeakPolarHBondContact O-CB 3.35Å; S12-Y16 PolarHBondContact O-N 3.07Å; L13-Y16 HydrophobicContact CD1-CD1 4.16Å; L13-Y16 WeakPolarHBondContact O-CB 3.07Å; L13-Y16 PolarHBondContact O-N 3.38Å; Y16-S18 VanDerWaalsContact C-N 3.32Å; Y16-S18 PolarHBondContact O-N 3.44Å; Y16-W19 PolarHBondContact O-N 3.02Å; Y16-S20 VanDerWaalsContact CE2-OG 3.29Å; Y16-S20 WeakPolarHBondContact CE2-OG 3.4Å; Y16-S20 WeakPolarHBondContact O-CB 3.43Å; Y16-S20 PolarHBondContact O-N 3.18Å; Y16-S20 PolarHBondContact O-OG 3.26Å; Y16-V132 HydrophobicContact CD2-CG1 3.99Å; Y16-V132 HydrophobicContact CG-CG1 3.92Å; Y16-L133 HydrophobicContact CD2-CB 3.77Å; Y16-L133 HydrophobicContact CD2-CD1 4.29Å; Y16-L133 HydrophobicContact CE2-CB 3.97Å; Y16-L133 HydrophobicContact CE2-CD1 3.68Å; Y16-L133 HydrophobicContact CE2-CG 4.43Å; Y16-L136 HydrophobicContact CD1-CD1 4.49Å; Y16-L136 HydrophobicContact CD2-CD1 4.27Å; Y16-L136 HydrophobicContact CE1-CD1 3.85Å; Y16-L136 HydrophobicContact CE2-CD1 3.64Å; Y16-L136 WeakPolarHBondContact OH-CD1 3.38Å; Y16-N144 PolarHBondContact OH-OD1 3.14Å; Y16-I146 HydrophobicContact CD1-CD1 4.46Å; Y16-I146 HydrophobicContact CE1-CD1 3.59Å; Y16-I146 HydrophobicContact CE1-CG1 4.13Å; Y16-I146 WeakPolarHBondContact OH-CG1 3.23Å; Y16-I156 HydrophobicContact CE1-CD1 4.05Å; Y16-I156 HydrophobicContact CE1-CG2 3.97Å
17I97.8Very high95.5Very high2 Ų212.4 Ų12.41%0.017%0.068CC..Hα-helixtrans-62.3-42.3175-65.5-43.3000111.5L13 L14 G15 S20 L21 T77 I81 I146 I156 T160L13-I17 WeakPolarHBondContact O-CG1 3.25Å; L13-I17 PolarHBondContact O-N 3.47Å; L14-I17 PolarHBondContact O-N 3.29Å; G15-I17 VanDerWaalsContact C-N 3.34Å; G15-I17 PolarHBondContact O-N 3.07Å; I17-S20 PolarHBondContact O-N 3.18Å; I17-L21 HydrophobicContact CG2-CD1 4.06Å; I17-L21 HydrophobicContact CG2-CG 4.44Å; I17-L21 WeakPolarHBondContact O-CG 3.37Å; I17-L21 PolarHBondContact O-N 3.28Å; I17-T77 HydrophobicContact CG2-CG2 4.31Å; I17-I81 HydrophobicContact CD1-CD1 3.48Å; I17-I81 VanDerWaalsContact CD1-CD1 3.48Å; I17-I81 HydrophobicContact CG1-CD1 3.93Å; I17-I81 HydrophobicContact CG2-CD1 3.84Å; I17-I81 HydrophobicContact CG2-CG1 4.26Å; I17-I146 HydrophobicContact CD1-CD1 3.61Å; I17-I156 HydrophobicContact CD1-CG2 3.52Å; I17-T160 HydrophobicContact CD1-CG2 4.44Å; I17-T160 HydrophobicContact CG1-CG2 3.55Å
18S97.2Very high95.7Very high10 Ų1011.5 Ų11.57%0.076%0.064CC..Hα-helixtrans-61.3-48.1179-58.90000111.8L14 G15 Y16 S20 L21 Y22 S103 Q107L14-S18 PolarHBondContact O-N 3.05Å; L14-S18 VanDerWaalsContact O-N 3.15Å; L14-S18 PolarHBondContact O-OG 2.82Å; G15-S18 WeakPolarHBondContact O-CB 3.4Å; G15-S18 PolarHBondContact O-N 3.12Å; G15-S18 VanDerWaalsContact O-N 3.11Å; Y16-S18 VanDerWaalsContact C-N 3.32Å; Y16-S18 PolarHBondContact O-N 3.44Å; S18-S20 VanDerWaalsContact C-N 3.32Å; S18-S20 PolarHBondContact O-N 3.13Å; S18-L21 PolarHBondContact O-N 3.08Å; S18-Y22 WeakPolarHBondContact O-CD1 3.34Å; S18-Y22 VanDerWaalsContact O-CG 3.3Å; S18-Y22 PolarHBondContact O-N 3.28Å; S18-Y22 VanDerWaalsContact O-N 3.09Å; S18-S103 PolarHBondContact OG-OG 3.15Å; S18-S103 VanDerWaalsContact OG-OG 3.05Å; S18-Q107 PolarHBondContact OG-NE2 2.72Å
19W97.9Very high95.8Very high1 Ų112.2 Ų12.20%0.0047%0.067CC..Hα-helixtrans-60.7-41.6174.4-80.6108.3000112.6G15 Y16 L21 Y22 H23 F126 Q130 L133 V206 T209 W298G15-W19 VanDerWaalsContact O-CD1 3.29Å; G15-W19 PolarHBondContact O-N 3.33Å; Y16-W19 PolarHBondContact O-N 3.02Å; W19-L21 VanDerWaalsContact C-N 3.3Å; W19-L21 PolarHBondContact O-N 3.3Å; W19-Y22 HydrophobicContact CE3-CD2 4.49Å; W19-Y22 PolarHBondContact O-N 3.25Å; W19-H23 AromaticContact CE3-NE2 3.87Å; W19-H23 PolarHBondContact O-CD2 2.86Å; W19-H23 PolarHBondContact O-N 3.49Å; W19-F126 AromaticContact CD1-CE2 3.89Å; W19-F126 HydrophobicContact CD2-CZ 4.21Å; W19-F126 AromaticContact CE2-CE1 3.69Å; W19-F126 AromaticContact CE2-CZ 3.52Å; W19-F126 HydrophobicContact CG-CE2 4.49Å; W19-F126 AromaticContact CZ2-CE1 3.64Å; W19-F126 HydrophobicContact CZ2-CE1 3.64Å; W19-F126 AromaticContact CZ2-CZ 3.81Å; W19-F126 HydrophobicContact CZ2-CZ 3.81Å; W19-F126 AromaticContact NE1-CD1 3.87Å; W19-F126 AromaticContact NE1-CD2 3.95Å; W19-F126 AromaticContact NE1-CE1 3.53Å; W19-F126 AromaticContact NE1-CE2 3.62Å; W19-F126 AromaticContact NE1-CZ 3.39Å; W19-F126 PolarHBondContact NE1-O 3Å; W19-Q130 HydrophobicContact CD2-CB 4.17Å; W19-Q130 HydrophobicContact CD2-CG 4.46Å; W19-Q130 HydrophobicContact CG-CB 4.3Å; W19-Q130 HydrophobicContact CZ2-CB 4.08Å; W19-Q130 HydrophobicContact CZ2-CG 4.27Å; W19-L133 HydrophobicContact CB-CD2 3.87Å; W19-V206 HydrophobicContact CH2-CG1 4.08Å; W19-V206 HydrophobicContact CZ3-CG1 4.24Å; W19-T209 HydrophobicContact CH2-CG2 4.13Å; W19-W298 AromaticContact CH2-CH2 3.53Å; W19-W298 HydrophobicContact CH2-CH2 3.53Å; W19-W298 AromaticContact CH2-CZ2 3.65Å; W19-W298 HydrophobicContact CH2-CZ2 3.65Å; W19-W298 AromaticContact CZ2-CH2 3.29Å; W19-W298 HydrophobicContact CZ2-CH2 3.29Å; W19-W298 AromaticContact CZ2-CZ2 3.66Å; W19-W298 HydrophobicContact CZ2-CZ2 3.66Å; W19-W298 HydrophobicContact CZ2-CZ3 4.1Å
20S97.7Very high95.7Very high0 Ų09.6 Ų9.60%05%0.052CC..Hα-helixtrans-62.7-36.1178.2-64.90000112.8Y16 I17 S18 D24 N144 W147Y16-S20 VanDerWaalsContact CE2-OG 3.29Å; Y16-S20 WeakPolarHBondContact CE2-OG 3.4Å; Y16-S20 WeakPolarHBondContact O-CB 3.43Å; Y16-S20 PolarHBondContact O-N 3.18Å; Y16-S20 PolarHBondContact O-OG 3.26Å; I17-S20 PolarHBondContact O-N 3.18Å; S18-S20 VanDerWaalsContact C-N 3.32Å; S18-S20 PolarHBondContact O-N 3.13Å; S20-D24 PolarHBondContact O-N 3.2Å; S20-N144 VanDerWaalsContact CB-ND2 3.31Å; S20-N144 WeakPolarHBondContact CB-ND2 3.49Å; S20-N144 PolarHBondContact OG-ND2 3.14Å; S20-N144 VanDerWaalsContact OG-ND2 3.08Å; S20-W147 PolarHBondContact O-NE1 3.25Å
21L97.6Very high95.6Very high0 Ų08.7 Ų8.70%05%0.047CC..Hα-helixtrans-69.6-39.7174.1-70.2169.2000111.9I17 S18 W19 H23 D24 L25 T77 S80 L96 V100 W147I17-L21 HydrophobicContact CG2-CD1 4.06Å; I17-L21 HydrophobicContact CG2-CG 4.44Å; I17-L21 WeakPolarHBondContact O-CG 3.37Å; I17-L21 PolarHBondContact O-N 3.28Å; S18-L21 PolarHBondContact O-N 3.08Å; W19-L21 VanDerWaalsContact C-N 3.3Å; W19-L21 PolarHBondContact O-N 3.3Å; L21-H23 VanDerWaalsContact C-N 3.3Å; L21-H23 PolarHBondContact O-N 3.48Å; L21-D24 PolarHBondContact O-N 2.81Å; L21-L25 PolarHBondContact O-N 2.78Å; L21-L25 VanDerWaalsContact O-N 3.15Å; L21-T77 HydrophobicContact CD1-CG2 3.88Å; L21-S80 WeakPolarHBondContact CD2-OG 3.42Å; L21-L96 HydrophobicContact CD2-CD2 3.94Å; L21-V100 HydrophobicContact CB-CG2 3.85Å; L21-W147 HydrophobicContact CD2-CH2 4Å; L21-W147 HydrophobicContact CD2-CZ2 3.94Å
22Y96.3Very high95.4Very high4 Ų48.5 Ų8.52%0.0165%0.046CC..Hα-helixtrans-65.3-35.4177.3-60.8-12.2000112.4S18 W19 F49 V100 L104 Q107 F126S18-Y22 WeakPolarHBondContact O-CD1 3.34Å; S18-Y22 VanDerWaalsContact O-CG 3.3Å; S18-Y22 PolarHBondContact O-N 3.28Å; S18-Y22 VanDerWaalsContact O-N 3.09Å; W19-Y22 HydrophobicContact CE3-CD2 4.49Å; W19-Y22 PolarHBondContact O-N 3.25Å; Y22-F49 AromaticContact CD1-CE1 3.79Å; Y22-F49 HydrophobicContact CD1-CE1 3.79Å; Y22-F49 HydrophobicContact CE1-CE1 4.38Å; Y22-F49 HydrophobicContact CG-CE1 4.19Å; Y22-V100 HydrophobicContact CD1-CG1 4.27Å; Y22-V100 HydrophobicContact CD1-CG2 4.35Å; Y22-V100 HydrophobicContact CE1-CG1 4.21Å; Y22-L104 HydrophobicContact CE1-CD2 4.23Å; Y22-L104 HydrophobicContact CE1-CG 4.06Å; Y22-L104 WeakPolarHBondContact OH-CD2 3.39Å; Y22-L104 WeakPolarHBondContact OH-CG 3.32Å; Y22-Q107 VanDerWaalsContact OH-CD 3.31Å; Y22-Q107 PolarHBondContact OH-NE2 2.93Å; Y22-Q107 PolarHBondContact OH-OE1 2.83Å; Y22-F126 HydrophobicContact CE2-CE2 4.18Å; Y22-F126 HydrophobicContact CE2-CZ 4.01Å
23H95.8Very high95Very high6 Ų69.2 Ų9.23%0.0285%0.051CC..Hα-helixtrans-73.5-22.6176.7-80.9-131.4000113.9W19 L21 P27 R137 H210W19-H23 AromaticContact CE3-NE2 3.87Å; W19-H23 PolarHBondContact O-CD2 2.86Å; W19-H23 PolarHBondContact O-N 3.49Å; L21-H23 VanDerWaalsContact C-N 3.3Å; L21-H23 PolarHBondContact O-N 3.48Å; H23-P27 WeakPolarHBondContact O-CD 3.35Å; H23-P27 VanDerWaalsContact O-CG 3.29Å; H23-P27 WeakPolarHBondContact O-CG 3.21Å; H23-R137 PolarHBondContact ND1-NH1 3.45Å; H23-H210 AromaticContact CD2-CD2 3.41Å; H23-H210 PolarHBondContact CD2-CD2 3.31Å; H23-H210 VanDerWaalsContact CD2-CD2 3.41Å; H23-H210 AromaticContact CD2-NE2 3.38Å; H23-H210 PolarHBondContact CD2-NE2 2.89Å; H23-H210 AromaticContact CE1-CD2 3.45Å; H23-H210 PolarHBondContact CE1-CD2 3.01Å; H23-H210 VanDerWaalsContact CE1-CD2 3.45Å; H23-H210 AromaticContact CE1-NE2 3.83Å; H23-H210 AromaticContact CG-CD2 3.79Å; H23-H210 AromaticContact CG-NE2 3.4Å; H23-H210 AromaticContact ND1-CD2 3.79Å; H23-H210 AromaticContact ND1-NE2 3.67Å; H23-H210 AromaticContact NE2-CD2 3.2Å; H23-H210 PolarHBondContact NE2-CD2 3.37Å; H23-H210 AromaticContact NE2-CG 3.94Å; H23-H210 AromaticContact NE2-NE2 3.69Å
24D94.9Very high94.3Very high10 Ų108.7 Ų8.75%0.0535%0.048CC..Hα-helixtrans-101.9-26.8-173.9-159.257.5000114S20 L21 P27 M28 R92 L96 W147S20-D24 PolarHBondContact O-N 3.2Å; L21-D24 PolarHBondContact O-N 2.81Å; D24-P27 WeakPolarHBondContact O-CD 3.25Å; D24-M28 WeakPolarHBondContact O-CB 3.5Å; D24-M28 PolarHBondContact O-N 2.9Å; D24-M28 VanDerWaalsContact O-N 3.15Å; D24-R92 VanDerWaalsContact CG-NH2 3.29Å; D24-R92 IonicContact OD1-NH2 3.1Å; D24-R92 PolarHBondContact OD1-NH2 3.33Å; D24-R92 IonicContact OD2-CZ 3Å; D24-R92 IonicContact OD2-NE 3.97Å; D24-R92 IonicContact OD2-NH2 3.11Å; D24-R92 PolarHBondContact OD2-NH2 3.36Å; D24-L96 HydrophobicContact CB-CD2 4.47Å; D24-L96 WeakPolarHBondContact OD2-CD1 3.01Å; D24-W147 HydrophobicContact CB-CD2 4.16Å; D24-W147 HydrophobicContact CB-CG 4.17Å; D24-W147 HydrophobicContact CB-CZ2 4.24Å
25L95.8Very high93.5Very high0 Ų012.2 Ų12.20%06%0.063CC..Hα-helixtrans-65.9-42.1-179.3-177.659.6000112.3L21 M28 I29 A48 F49 L93 L96 A97 V100L21-L25 PolarHBondContact O-N 2.78Å; L21-L25 VanDerWaalsContact O-N 3.15Å; L25-M28 PolarHBondContact O-N 3.02Å; L25-I29 HydrophobicContact CD1-CD1 4.01Å; L25-I29 HydrophobicContact CD1-CG1 4.18Å; L25-I29 HydrophobicContact CD2-CD1 4.47Å; L25-I29 HydrophobicContact CG-CD1 3.83Å; L25-I29 HydrophobicContact CG-CG1 4.43Å; L25-I29 VanDerWaalsContact O-CG1 3.29Å; L25-I29 WeakPolarHBondContact O-CG1 3.2Å; L25-I29 PolarHBondContact O-N 2.65Å; L25-A48 HydrophobicContact CD2-CB 4.07Å; L25-F49 HydrophobicContact CB-CE2 4.36Å; L25-F49 HydrophobicContact CB-CZ 4.42Å; L25-F49 HydrophobicContact CD2-CD2 4.01Å; L25-F49 HydrophobicContact CD2-CE2 3.55Å; L25-F49 HydrophobicContact CD2-CZ 4.12Å; L25-F49 HydrophobicContact CG-CE2 4.15Å; L25-L93 HydrophobicContact CD1-CD1 3.74Å; L25-L96 HydrophobicContact CD1-CB 4.1Å; L25-A97 HydrophobicContact CD1-CB 4.23Å; L25-V100 HydrophobicContact CB-CG2 3.97Å; L25-V100 HydrophobicContact CD2-CB 3.9Å; L25-V100 HydrophobicContact CD2-CG1 4Å; L25-V100 HydrophobicContact CD2-CG2 3.7Å; L25-V100 HydrophobicContact CG-CG2 4.42Å
26G94Very high92.7Very high11 Ų1115.6 Ų15.611%0.1138%0.083CC..Hα-helixtrans-57.9-54.2177.700000112.7M28 I29 Y30G26-M28 PolarHBondContact O-N 2.55Å; G26-I29 WeakPolarHBondContact O-CB 3.27Å; G26-I29 PolarHBondContact O-N 2.6Å; G26-I29 VanDerWaalsContact O-N 3.17Å; G26-Y30 WeakPolarHBondContact O-CB 3.42Å; G26-Y30 PolarHBondContact O-N 3.06Å
27P93.4Very high91.9Very high2 Ų219.1 Ų19.11%0.01310%0.102CC..Hα-helixtrans-58.3-41.5176.5-26.535.6000114.4H23 D24 I29 Y30 Y31 Y439 Y473H23-P27 WeakPolarHBondContact O-CD 3.35Å; H23-P27 VanDerWaalsContact O-CG 3.29Å; H23-P27 WeakPolarHBondContact O-CG 3.21Å; D24-P27 WeakPolarHBondContact O-CD 3.25Å; P27-I29 VanDerWaalsContact C-N 3.33Å; P27-I29 PolarHBondContact O-N 2.66Å; P27-Y30 PolarHBondContact O-N 3.02Å; P27-Y31 WeakPolarHBondContact O-CB 3.33Å; P27-Y31 PolarHBondContact O-N 2.85Å; P27-Y439 WeakPolarHBondContact CB-OH 3.32Å; P27-Y473 WeakPolarHBondContact CA-O 3.35Å
28M94.3Very high91.2Very high3 Ų325.4 Ų25.42%0.01513%0.132CC..Hα-helixtrans-66.4-35.1177-168.670.4-118.200112.4D24 L25 G26 Y31 F32 A89 R92 L93 L96D24-M28 WeakPolarHBondContact O-CB 3.5Å; D24-M28 PolarHBondContact O-N 2.9Å; D24-M28 VanDerWaalsContact O-N 3.15Å; L25-M28 PolarHBondContact O-N 3.02Å; G26-M28 PolarHBondContact O-N 2.55Å; M28-Y31 HydrophobicContact CE-CD1 3.77Å; M28-Y31 HydrophobicContact CE-CE1 4.5Å; M28-Y31 HydrophobicContact CE-CG 4.3Å; M28-F32 HydrophobicContact CE-CE2 3.59Å; M28-F32 HydrophobicContact CE-CZ 3.83Å; M28-F32 VanDerWaalsContact O-CD2 3.25Å; M28-F32 WeakPolarHBondContact O-CD2 3.41Å; M28-F32 VanDerWaalsContact O-CE2 3.32Å; M28-F32 WeakPolarHBondContact O-CE2 3.42Å; M28-A89 HydrophobicContact CE-CB 3.47Å; M28-A89 VanDerWaalsContact CE-CB 3.47Å; M28-R92 HydrophobicContact CG-CG 4.21Å; M28-R92 HydrophobicContact SD-CB 4.26Å; M28-R92 HydrophobicContact SD-CG 3.75Å; M28-L93 HydrophobicContact CB-CD1 4.39Å; M28-L93 HydrophobicContact CG-CB 3.91Å; M28-L93 HydrophobicContact CG-CD1 4.09Å; M28-L96 HydrophobicContact CB-CD1 3.95Å; M28-L96 HydrophobicContact CG-CD1 4.02Å
29I94.1Very high90.6Very high15 Ų1529.7 Ų29.78%0.07715%0.153CC..Hα-helixtrans-66.1-47.3172.2-72.6168.3000109.9L25 G26 P27 Y31 F32 P33 E43 F45 L93L25-I29 HydrophobicContact CD1-CD1 4.01Å; L25-I29 HydrophobicContact CD1-CG1 4.18Å; L25-I29 HydrophobicContact CD2-CD1 4.47Å; L25-I29 HydrophobicContact CG-CD1 3.83Å; L25-I29 HydrophobicContact CG-CG1 4.43Å; L25-I29 VanDerWaalsContact O-CG1 3.29Å; L25-I29 WeakPolarHBondContact O-CG1 3.2Å; L25-I29 PolarHBondContact O-N 2.65Å; G26-I29 WeakPolarHBondContact O-CB 3.27Å; G26-I29 PolarHBondContact O-N 2.6Å; G26-I29 VanDerWaalsContact O-N 3.17Å; P27-I29 VanDerWaalsContact C-N 3.33Å; P27-I29 PolarHBondContact O-N 2.66Å; I29-Y31 VanDerWaalsContact C-N 3.3Å; I29-Y31 PolarHBondContact O-N 3.38Å; I29-F32 PolarHBondContact O-N 3.19Å; I29-P33 WeakPolarHBondContact O-CD 3.06Å; I29-E43 HydrophobicContact CG2-CB 4.28Å; I29-E43 HydrophobicContact CG2-CG 4.25Å; I29-F45 HydrophobicContact CD1-CB 4.39Å; I29-F45 HydrophobicContact CG1-CB 4.42Å; I29-L93 HydrophobicContact CG1-CD1 3.58Å
30Y91.1Very high90.2Very high32 Ų3232 Ų3213%0.12517%0.168CC..Hα-helixtrans-68.3-28.3-174-168.4-114.7000113.4G26 P27 F32 P33 L34 Y473 M474 W502G26-Y30 WeakPolarHBondContact O-CB 3.42Å; G26-Y30 PolarHBondContact O-N 3.06Å; P27-Y30 PolarHBondContact O-N 3.02Å; Y30-F32 PolarHBondContact O-N 2.59Å; Y30-P33 HydrophobicContact CD2-CG 4.49Å; Y30-P33 VanDerWaalsContact O-CD 3.26Å; Y30-P33 WeakPolarHBondContact O-CD 3.22Å; Y30-P33 WeakPolarHBondContact O-CG 3.4Å; Y30-L34 HydrophobicContact CD1-CD1 3.43Å; Y30-L34 VanDerWaalsContact CD1-CD1 3.43Å; Y30-L34 HydrophobicContact CD1-CD2 4.29Å; Y30-L34 HydrophobicContact CD1-CG 3.68Å; Y30-L34 HydrophobicContact CE1-CD1 3.43Å; Y30-L34 VanDerWaalsContact CE1-CD1 3.43Å; Y30-L34 HydrophobicContact CE1-CD2 3.49Å; Y30-L34 VanDerWaalsContact CE1-CD2 3.49Å; Y30-L34 HydrophobicContact CE1-CG 3.4Å; Y30-L34 HydrophobicContact CG-CD1 4.42Å; Y30-L34 HydrophobicContact CG-CG 4.39Å; Y30-L34 WeakPolarHBondContact O-CG 3.04Å; Y30-L34 PolarHBondContact O-N 3.2Å; Y30-Y473 WeakPolarHBondContact CB-O 3.41Å; Y30-Y473 AromaticContact CD1-CD2 3.72Å; Y30-Y473 HydrophobicContact CD1-CD2 3.72Å; Y30-Y473 HydrophobicContact CD1-CE2 4.14Å; Y30-Y473 AromaticContact CD2-CD2 3.98Å; Y30-Y473 HydrophobicContact CD2-CD2 3.98Å; Y30-Y473 HydrophobicContact CD2-CE2 4.48Å; Y30-Y473 AromaticContact CE1-CD2 3.82Å; Y30-Y473 HydrophobicContact CE1-CD2 3.82Å; Y30-Y473 AromaticContact CE1-CE2 3.74Å; Y30-Y473 HydrophobicContact CE1-CE2 3.74Å; Y30-Y473 HydrophobicContact CE2-CD2 4.13Å; Y30-Y473 HydrophobicContact CE2-CE2 4.16Å; Y30-Y473 AromaticContact CG-CD2 3.82Å; Y30-Y473 HydrophobicContact CG-CD2 3.82Å; Y30-Y473 AromaticContact CZ-CE2 3.8Å; Y30-M474 HydrophobicContact CD1-CG 3.91Å; Y30-M474 HydrophobicContact CE1-CG 4.01Å; Y30-M474 HydrophobicContact CE1-SD 4.09Å; Y30-W502 HydrophobicContact CE1-CZ3 4.49Å; Y30-W502 WeakPolarHBondContact OH-CH2 3.36Å; Y30-W502 WeakPolarHBondContact OH-CZ3 3.43Å
31Y90.7Very high89.8Confident4 Ų434.3 Ų34.32%0.01619%0.191CC..THydrogen-bonded Turntrans-52.2-37.1176.6170.9-102000114.5P27 M28 I29 Q35 A89 R436 Y439 D440 N441 E442 G443P27-Y31 WeakPolarHBondContact O-CB 3.33Å; P27-Y31 PolarHBondContact O-N 2.85Å; M28-Y31 HydrophobicContact CE-CD1 3.77Å; M28-Y31 HydrophobicContact CE-CE1 4.5Å; M28-Y31 HydrophobicContact CE-CG 4.3Å; I29-Y31 VanDerWaalsContact C-N 3.3Å; I29-Y31 PolarHBondContact O-N 3.38Å; Y31-Q35 PolarHBondContact OH-NE2 3.19Å; Y31-A89 HydrophobicContact CD1-CB 4.44Å; Y31-A89 HydrophobicContact CE1-CB 4.08Å; Y31-R436 PolarHBondContact O-NH2 3.07Å; Y31-Y439 HydrophobicContact CD2-CD1 4.41Å; Y31-Y439 HydrophobicContact CD2-CG 4.23Å; Y31-D440 PolarHBondContact OH-O 3.42Å; Y31-N441 PolarHBondContact OH-O 3.39Å; Y31-E442 VanDerWaalsContact OH-C 3.28Å; Y31-E442 PolarHBondContact OH-N 2.78Å; Y31-G443 PolarHBondContact OH-N 3.26Å
32F90.9Very high89.5Confident11 Ų1136.1 Ų36.15%0.04820%0.2CC..THydrogen-bonded Turntrans-73.5-52.6-177.3-64.9-81.7000113.9M28 I29 Y30 L34 Q35 T40 L42 A89 K90 L93M28-F32 HydrophobicContact CE-CE2 3.59Å; M28-F32 HydrophobicContact CE-CZ 3.83Å; M28-F32 VanDerWaalsContact O-CD2 3.25Å; M28-F32 WeakPolarHBondContact O-CD2 3.41Å; M28-F32 VanDerWaalsContact O-CE2 3.32Å; M28-F32 WeakPolarHBondContact O-CE2 3.42Å; I29-F32 PolarHBondContact O-N 3.19Å; Y30-F32 PolarHBondContact O-N 2.59Å; F32-L34 PolarHBondContact O-N 3Å; F32-Q35 WeakPolarHBondContact O-CB 3.48Å; F32-Q35 PolarHBondContact O-N 3.06Å; F32-T40 HydrophobicContact CB-CG2 4.07Å; F32-L42 HydrophobicContact CB-CD1 4.05Å; F32-L42 HydrophobicContact CD1-CD1 3.39Å; F32-L42 HydrophobicContact CD2-CB 4.34Å; F32-L42 HydrophobicContact CD2-CD1 3.72Å; F32-L42 HydrophobicContact CE1-CD1 3.61Å; F32-L42 HydrophobicContact CE2-CD1 3.94Å; F32-L42 HydrophobicContact CG-CB 4.49Å; F32-L42 HydrophobicContact CG-CD1 3.43Å; F32-L42 VanDerWaalsContact CG-CD1 3.43Å; F32-L42 HydrophobicContact CZ-CD1 3.86Å; F32-A89 HydrophobicContact CE1-CB 4.02Å; F32-A89 HydrophobicContact CZ-CB 3.66Å; F32-K90 HydrophobicContact CE1-CG 3.97Å; F32-K90 HydrophobicContact CZ-CG 4.06Å; F32-L93 HydrophobicContact CD2-CD2 4.22Å; F32-L93 HydrophobicContact CE2-CB 4.26Å; F32-L93 HydrophobicContact CE2-CD2 3.7Å; F32-L93 HydrophobicContact CZ-CD2 4.47Å
33P87.8Confident89.3Confident18 Ų1837.2 Ų37.212%0.11721%0.206CC..Hα-helixtrans-62-27.617418.6-27.4000112.6I29 Y30 Q35 T36 L37 E38 E43I29-P33 WeakPolarHBondContact O-CD 3.06Å; Y30-P33 HydrophobicContact CD2-CG 4.49Å; Y30-P33 VanDerWaalsContact O-CD 3.26Å; Y30-P33 WeakPolarHBondContact O-CD 3.22Å; Y30-P33 WeakPolarHBondContact O-CG 3.4Å; P33-Q35 PolarHBondContact O-N 2.68Å; P33-T36 PolarHBondContact O-N 2.94Å; P33-L37 VanDerWaalsContact O-CA 3.3Å; P33-L37 WeakPolarHBondContact O-CA 3.36Å; P33-L37 PolarHBondContact O-N 3.17Å; P33-E38 VanDerWaalsContact CA-O 3.25Å; P33-E38 WeakPolarHBondContact CA-O 3.39Å; P33-E38 WeakPolarHBondContact CB-O 3.33Å; P33-E43 WeakPolarHBondContact CD-OE1 3.3Å; P33-E43 HydrophobicContact CG-CG 4.33Å; P33-E43 WeakPolarHBondContact CG-OE1 3.43Å
34L82.1Confident89.1Confident24 Ų2440.2 Ų40.213%0.12623%0.227CC..Hα-helixtrans-62.3-19.7169.5-78.5178000114.4Y30 F32 R436 F437Y30-L34 HydrophobicContact CD1-CD1 3.43Å; Y30-L34 VanDerWaalsContact CD1-CD1 3.43Å; Y30-L34 HydrophobicContact CD1-CD2 4.29Å; Y30-L34 HydrophobicContact CD1-CG 3.68Å; Y30-L34 HydrophobicContact CE1-CD1 3.43Å; Y30-L34 VanDerWaalsContact CE1-CD1 3.43Å; Y30-L34 HydrophobicContact CE1-CD2 3.49Å; Y30-L34 VanDerWaalsContact CE1-CD2 3.49Å; Y30-L34 HydrophobicContact CE1-CG 3.4Å; Y30-L34 HydrophobicContact CG-CD1 4.42Å; Y30-L34 HydrophobicContact CG-CG 4.39Å; Y30-L34 WeakPolarHBondContact O-CG 3.04Å; Y30-L34 PolarHBondContact O-N 3.2Å; F32-L34 PolarHBondContact O-N 3Å; L34-R436 VanDerWaalsContact C-NH2 3.31Å; L34-R436 PolarHBondContact O-NH2 3.39Å; L34-F437 HydrophobicContact CD1-CD2 3.81Å; L34-F437 HydrophobicContact CD1-CE2 4.04Å; L34-F437 HydrophobicContact CD2-CD2 4.45Å; L34-F437 HydrophobicContact CD2-CE2 3.82Å
35Q79.3Confident89.2Confident97 Ų9742.5 Ų42.545%0.45324%0.237SC..Hα-helixtrans-82.1-29.8176.9-69.4-176-10.600112.5Y31 F32 P33Y31-Q35 PolarHBondContact OH-NE2 3.19Å; F32-Q35 WeakPolarHBondContact O-CB 3.48Å; F32-Q35 PolarHBondContact O-N 3.06Å; P33-Q35 PolarHBondContact O-N 2.68Å
36T80.4Confident89.1Confident75 Ų7543.1 Ų43.146%0.4624%0.241SC..Hα-helixtrans-113.4-10.9-169.652.10000112.5P33 E38 T40P33-T36 PolarHBondContact O-N 2.94Å; T36-E38 PolarHBondContact O-N 3.1Å; T36-E38 PolarHBondContact OG1-O 3.24Å; T36-T40 HydrophobicContact CG2-CG2 4.49Å; T36-T40 WeakPolarHBondContact OG1-CG2 3.12Å
37L81.2Confident89.2Confident76 Ų7647.6 Ų47.640%0.39826%0.261SS..THydrogen-bonded Turntrans54.426.3-169.8-58.2175000112.6P33 F338P33-L37 VanDerWaalsContact O-CA 3.3Å; P33-L37 WeakPolarHBondContact O-CA 3.36Å; P33-L37 PolarHBondContact O-N 3.17Å; L37-F338 HydrophobicContact CB-CD1 3.93Å; L37-F338 HydrophobicContact CB-CE1 3.92Å; L37-F338 HydrophobicContact CD1-CE1 4.42Å; L37-F338 HydrophobicContact CD2-CE1 4.2Å; L37-F338 HydrophobicContact CD2-CZ 4.22Å; L37-F338 HydrophobicContact CG-CE1 4.41Å; L37-F338 VanDerWaalsContact O-CD1 3.25Å; L37-F338 WeakPolarHBondContact O-CD1 3.46Å
38E82.8Confident89.4Confident135 Ų13548 Ų4863%0.63127%0.265SS*.SBendtrans-146.1165.4-176.6-68.1-173.3171.300110.9P33 T36 T40P33-E38 VanDerWaalsContact CA-O 3.25Å; P33-E38 WeakPolarHBondContact CA-O 3.39Å; P33-E38 WeakPolarHBondContact CB-O 3.33Å; T36-E38 PolarHBondContact O-N 3.1Å; T36-E38 PolarHBondContact OG1-O 3.24Å; E38-T40 PolarHBondContact O-N 2.94Å
39L85.1Confident89.6Confident99 Ų9948 Ų4852%0.51827%0.265SS..  trans-70.9128.4174.5-66.5174.9000110.8E43L39-E43 HydrophobicContact CD2-CG 4.06Å
40T88.6Confident89.8Confident51 Ų5149.3 Ų49.331%0.31327%0.272SS..  trans-98.3-9.8-174.162.30000114F32 T36 E38 L42 E43F32-T40 HydrophobicContact CB-CG2 4.07Å; T36-T40 HydrophobicContact CG2-CG2 4.49Å; T36-T40 WeakPolarHBondContact OG1-CG2 3.12Å; E38-T40 PolarHBondContact O-N 2.94Å; T40-L42 PolarHBondContact O-N 2.93Å; T40-L42 PolarHBondContact OG1-N 3Å; T40-E43 PolarHBondContact N-OE1 3.43Å; T40-E43 PolarHBondContact N-OE2 3.17Å; T40-E43 PolarHBondContact OG1-OE1 3.44Å
41G88.7Confident90.1Very high47 Ų4748 Ų4849%0.48527%0.267SS..SBendtrans84.4-20.1-170.200000113.4E43 S44G41-E43 VanDerWaalsContact CA-OE2 3.29Å; G41-E43 WeakPolarHBondContact CA-OE2 3.33Å; G41-E43 PolarHBondContact N-OE2 2.88Å; G41-E43 PolarHBondContact O-N 3.28Å; G41-S44 WeakPolarHBondContact O-CB 3.31Å; G41-S44 PolarHBondContact O-N 3.49Å; G41-S44 VanDerWaalsContact O-N 3.16Å; G41-S44 PolarHBondContact O-OG 2.88Å; G41-S44 VanDerWaalsContact O-OG 3.08Å
42L91.6Very high90.4Very high39 Ų3947.8 Ų47.820%0.20427%0.266CS..G310 helixtrans-70.2-14.1176.7-65.7175.5000112.5F32 T40 S44 F45 L93F32-L42 HydrophobicContact CB-CD1 4.05Å; F32-L42 HydrophobicContact CD1-CD1 3.39Å; F32-L42 HydrophobicContact CD2-CB 4.34Å; F32-L42 HydrophobicContact CD2-CD1 3.72Å; F32-L42 HydrophobicContact CE1-CD1 3.61Å; F32-L42 HydrophobicContact CE2-CD1 3.94Å; F32-L42 HydrophobicContact CG-CB 4.49Å; F32-L42 HydrophobicContact CG-CD1 3.43Å; F32-L42 VanDerWaalsContact CG-CD1 3.43Å; F32-L42 HydrophobicContact CZ-CD1 3.86Å; T40-L42 PolarHBondContact O-N 2.93Å; T40-L42 PolarHBondContact OG1-N 3Å; L42-S44 PolarHBondContact O-N 3.45Å; L42-S44 VanDerWaalsContact O-N 3.12Å; L42-F45 HydrophobicContact CD2-CD2 4.19Å; L42-F45 HydrophobicContact CD2-CE2 3.83Å; L42-F45 WeakPolarHBondContact O-CB 3.4Å; L42-F45 WeakPolarHBondContact O-CD2 3.45Å; L42-F45 PolarHBondContact O-N 2.85Å; L42-L93 HydrophobicContact CB-CD2 4Å; L42-L93 HydrophobicContact CD2-CD2 4.34Å
43E91.9Very high90.6Very high27 Ų2751.3 Ų51.313%0.12628%0.284CS..G310 helixtrans-59.8-21.2170.9-54.476.6-16400111.6I29 P33 L39 T40 G41 F45 S46I29-E43 HydrophobicContact CG2-CB 4.28Å; I29-E43 HydrophobicContact CG2-CG 4.25Å; P33-E43 WeakPolarHBondContact CD-OE1 3.3Å; P33-E43 HydrophobicContact CG-CG 4.33Å; P33-E43 WeakPolarHBondContact CG-OE1 3.43Å; L39-E43 HydrophobicContact CD2-CG 4.06Å; T40-E43 PolarHBondContact N-OE1 3.43Å; T40-E43 PolarHBondContact N-OE2 3.17Å; T40-E43 PolarHBondContact OG1-OE1 3.44Å; G41-E43 VanDerWaalsContact CA-OE2 3.29Å; G41-E43 WeakPolarHBondContact CA-OE2 3.33Å; G41-E43 PolarHBondContact N-OE2 2.88Å; G41-E43 PolarHBondContact O-N 3.28Å; E43-F45 PolarHBondContact O-N 3.12Å; E43-F45 VanDerWaalsContact O-N 3.16Å; E43-S46 VanDerWaalsContact O-CB 3.24Å; E43-S46 WeakPolarHBondContact O-CB 3.47Å; E43-S46 PolarHBondContact O-N 3.17Å; E43-S46 PolarHBondContact O-OG 3.21Å
44S92.5Very high91Very high68 Ų6855.3 Ų55.348%0.47630%0.3SS..G310 helixtrans-60.8-21.8174.276.30000113.4G41 L42 S46 I47G41-S44 WeakPolarHBondContact O-CB 3.31Å; G41-S44 PolarHBondContact O-N 3.49Å; G41-S44 VanDerWaalsContact O-N 3.16Å; G41-S44 PolarHBondContact O-OG 2.88Å; G41-S44 VanDerWaalsContact O-OG 3.08Å; L42-S44 PolarHBondContact O-N 3.45Å; L42-S44 VanDerWaalsContact O-N 3.12Å; S44-S46 PolarHBondContact O-N 3.19Å; S44-I47 VanDerWaalsContact O-CB 3.3Å; S44-I47 WeakPolarHBondContact O-CB 3.43Å; S44-I47 VanDerWaalsContact O-CG1 3.3Å; S44-I47 WeakPolarHBondContact O-CG1 3.19Å; S44-I47 PolarHBondContact O-N 3.3Å
45F96.3Very high91.6Very high59 Ų5954.3 Ų54.326%0.25930%0.295SS..G310 helixtrans-64-15.9174.4-81.1-85.5000112.9I29 L42 E43 I47 A48 L93 M94 A97I29-F45 HydrophobicContact CD1-CB 4.39Å; I29-F45 HydrophobicContact CG1-CB 4.42Å; L42-F45 HydrophobicContact CD2-CD2 4.19Å; L42-F45 HydrophobicContact CD2-CE2 3.83Å; L42-F45 WeakPolarHBondContact O-CB 3.4Å; L42-F45 WeakPolarHBondContact O-CD2 3.45Å; L42-F45 PolarHBondContact O-N 2.85Å; E43-F45 PolarHBondContact O-N 3.12Å; E43-F45 VanDerWaalsContact O-N 3.16Å; F45-I47 PolarHBondContact O-N 2.96Å; F45-A48 WeakPolarHBondContact O-CB 3.05Å; F45-A48 PolarHBondContact O-N 3.42Å; F45-L93 HydrophobicContact CB-CD1 4.02Å; F45-L93 HydrophobicContact CB-CD2 4.24Å; F45-L93 HydrophobicContact CB-CG 4.17Å; F45-L93 HydrophobicContact CD1-CG 4.37Å; F45-L93 HydrophobicContact CD2-CD2 3.6Å; F45-L93 HydrophobicContact CD2-CG 4.04Å; F45-L93 HydrophobicContact CE2-CD2 4.13Å; F45-L93 HydrophobicContact CG-CD1 4.33Å; F45-L93 HydrophobicContact CG-CD2 3.97Å; F45-L93 HydrophobicContact CG-CG 3.93Å; F45-M94 HydrophobicContact CE1-CB 4.35Å; F45-M94 HydrophobicContact CE1-CG 3.77Å; F45-M94 HydrophobicContact CZ-CG 3.63Å; F45-A97 HydrophobicContact CB-CB 4.4Å; F45-A97 HydrophobicContact CD1-CB 3.58Å; F45-A97 HydrophobicContact CE1-CB 4.37Å; F45-A97 HydrophobicContact CG-CB 4.44Å
46S95.4Very high92.3Very high12 Ų1252 Ų528%0.08429%0.288CS..G310 helixtrans-56.8-25.7168.861.20000113.1E43 S44 A48 F49E43-S46 VanDerWaalsContact O-CB 3.24Å; E43-S46 WeakPolarHBondContact O-CB 3.47Å; E43-S46 PolarHBondContact O-N 3.17Å; E43-S46 PolarHBondContact O-OG 3.21Å; S44-S46 PolarHBondContact O-N 3.19Å; S46-A48 PolarHBondContact O-N 2.87Å; S46-F49 WeakPolarHBondContact O-CD2 3.42Å; S46-F49 PolarHBondContact O-N 3.27Å
47I95.8Very high92.9Very high106 Ų10652.5 Ų52.554%0.54429%0.287SS..G310 helixtrans-59-18.9174.8-65171.1000111.8S44 F45 F49 L50S44-I47 VanDerWaalsContact O-CB 3.3Å; S44-I47 WeakPolarHBondContact O-CB 3.43Å; S44-I47 VanDerWaalsContact O-CG1 3.3Å; S44-I47 WeakPolarHBondContact O-CG1 3.19Å; S44-I47 PolarHBondContact O-N 3.3Å; F45-I47 PolarHBondContact O-N 2.96Å; I47-F49 PolarHBondContact O-N 2.76Å; I47-F49 VanDerWaalsContact O-N 3.15Å; I47-L50 WeakPolarHBondContact O-CA 3.43Å; I47-L50 WeakPolarHBondContact O-CB 3.47Å; I47-L50 PolarHBondContact O-N 2.78Å
48A97.5Very high93.4Very high10 Ų1053.1 Ų53.18%0.08329%0.293CS..G310 helixtrans-51.2-35.4170.600000113.2L25 F45 S46 L50 S51 A97 V100 S101L25-A48 HydrophobicContact CD2-CB 4.07Å; F45-A48 WeakPolarHBondContact O-CB 3.05Å; F45-A48 PolarHBondContact O-N 3.42Å; S46-A48 PolarHBondContact O-N 2.87Å; A48-L50 PolarHBondContact O-N 2.96Å; A48-S51 WeakPolarHBondContact O-CB 3.49Å; A48-S51 PolarHBondContact O-N 3.4Å; A48-A97 HydrophobicContact CB-CB 3.93Å; A48-A97 WeakPolarHBondContact CB-O 3.12Å; A48-V100 HydrophobicContact CB-CG1 4.49Å; A48-S101 WeakPolarHBondContact CA-OG 3.24Å; A48-S101 VanDerWaalsContact CB-OG 3.31Å; A48-S101 WeakPolarHBondContact CB-OG 3.36Å; A48-S101 PolarHBondContact O-OG 3.09Å
49F97.7Very high93.9Very high3 Ų351.3 Ų51.31%0.01329%0.293CS..G310 helixtrans-65.8-20.5175.5-75.3-80.5000113Y22 L25 S46 I47 S51 P52 V100 L104 M320 Y323 L324Y22-F49 AromaticContact CD1-CE1 3.79Å; Y22-F49 HydrophobicContact CD1-CE1 3.79Å; Y22-F49 HydrophobicContact CE1-CE1 4.38Å; Y22-F49 HydrophobicContact CG-CE1 4.19Å; L25-F49 HydrophobicContact CB-CE2 4.36Å; L25-F49 HydrophobicContact CB-CZ 4.42Å; L25-F49 HydrophobicContact CD2-CD2 4.01Å; L25-F49 HydrophobicContact CD2-CE2 3.55Å; L25-F49 HydrophobicContact CD2-CZ 4.12Å; L25-F49 HydrophobicContact CG-CE2 4.15Å; S46-F49 WeakPolarHBondContact O-CD2 3.42Å; S46-F49 PolarHBondContact O-N 3.27Å; I47-F49 PolarHBondContact O-N 2.76Å; I47-F49 VanDerWaalsContact O-N 3.15Å; F49-S51 VanDerWaalsContact C-N 3.33Å; F49-P52 WeakPolarHBondContact O-CD 3.3Å; F49-V100 HydrophobicContact CD1-CG1 3.8Å; F49-V100 HydrophobicContact CD2-CG1 4.44Å; F49-V100 HydrophobicContact CE1-CG1 3.8Å; F49-V100 HydrophobicContact CE2-CG1 4.48Å; F49-V100 HydrophobicContact CG-CG1 4.13Å; F49-V100 HydrophobicContact CZ-CG1 4.16Å; F49-L104 HydrophobicContact CB-CD1 4.37Å; F49-L104 HydrophobicContact CD1-CD1 4.05Å; F49-L104 WeakPolarHBondContact O-CD1 3.3Å; F49-M320 HydrophobicContact CB-CB 4.33Å; F49-M320 HydrophobicContact CD1-SD 4.21Å; F49-M320 WeakPolarHBondContact O-CB 3.39Å; F49-M320 VanDerWaalsContact O-CG 3.27Å; F49-M320 WeakPolarHBondContact O-CG 3.38Å; F49-Y323 HydrophobicContact CD1-CD1 4.13Å; F49-Y323 AromaticContact CD1-CE1 3.93Å; F49-Y323 HydrophobicContact CD1-CE1 3.93Å; F49-Y323 HydrophobicContact CE1-CD1 4.23Å; F49-Y323 AromaticContact CE1-CE1 3.57Å; F49-Y323 HydrophobicContact CE1-CE1 3.57Å; F49-Y323 HydrophobicContact CE2-CE1 4.2Å; F49-Y323 HydrophobicContact CG-CD1 4.5Å; F49-Y323 HydrophobicContact CG-CE1 4.41Å; F49-Y323 AromaticContact CZ-CE1 3.73Å; F49-Y323 HydrophobicContact CZ-CE1 3.73Å; F49-L324 HydrophobicContact CB-CD1 3.95Å; F49-L324 HydrophobicContact CB-CD2 4.08Å; F49-L324 HydrophobicContact CB-CG 3.95Å; F49-L324 HydrophobicContact CD2-CD2 3.64Å; F49-L324 HydrophobicContact CD2-CG 4.44Å; F49-L324 HydrophobicContact CE2-CD2 4.36Å; F49-L324 HydrophobicContact CG-CD2 4.08Å; F49-L324 HydrophobicContact CG-CG 4.42Å
50L97.8Very high94.3Very high43 Ų4349.1 Ų49.123%0.22528%0.28CS..G310 helixtrans-88.23.3179-55.8-176.2000113.5I47 A48 P52 I53 M320 I321 L324I47-L50 WeakPolarHBondContact O-CA 3.43Å; I47-L50 WeakPolarHBondContact O-CB 3.47Å; I47-L50 PolarHBondContact O-N 2.78Å; A48-L50 PolarHBondContact O-N 2.96Å; L50-P52 WeakPolarHBondContact O-CD 3.13Å; L50-I53 VanDerWaalsContact O-CB 3.31Å; L50-I53 WeakPolarHBondContact O-CB 3.28Å; L50-I53 WeakPolarHBondContact O-CG2 3.36Å; L50-I53 PolarHBondContact O-N 3.47Å; L50-M320 HydrophobicContact CD2-CB 4.38Å; L50-I321 HydrophobicContact CD2-CB 4.48Å; L50-I321 HydrophobicContact CD2-CG1 3.54Å; L50-L324 HydrophobicContact CD1-CD1 4.39Å; L50-L324 HydrophobicContact CD2-CD1 3.86Å; L50-L324 HydrophobicContact CG-CD1 3.88Å
51S97.8Very high94.4Very high4 Ų450 Ų503%0.02828%0.278CS..G310 helixtrans-50.2-29.6178.877.40000115.9A48 F49 I53 F54 S101A48-S51 WeakPolarHBondContact O-CB 3.49Å; A48-S51 PolarHBondContact O-N 3.4Å; F49-S51 VanDerWaalsContact C-N 3.33Å; S51-I53 PolarHBondContact O-N 2.67Å; S51-F54 WeakPolarHBondContact O-CD2 3.39Å; S51-F54 PolarHBondContact O-N 2.85Å; S51-F54 VanDerWaalsContact O-N 3.16Å; S51-S101 WeakPolarHBondContact OG-CA 3.21Å; S51-S101 PolarHBondContact OG-O 2.88Å
52P96.8Very high94.4Very high0 Ų054.5 Ų54.50%028%0.284CS..G310 helixtrans-59.9-15.7174.9-25.637.1000114.2F49 L50 F54 L55 L104 G313 M316 T317F49-P52 WeakPolarHBondContact O-CD 3.3Å; L50-P52 WeakPolarHBondContact O-CD 3.13Å; P52-F54 PolarHBondContact O-N 3.39Å; P52-L55 VanDerWaalsContact O-CB 3.29Å; P52-L55 WeakPolarHBondContact O-CB 3.45Å; P52-L55 PolarHBondContact O-N 3.36Å; P52-L104 HydrophobicContact CG-CB 3.95Å; P52-G313 WeakPolarHBondContact O-CA 3.42Å; P52-M316 HydrophobicContact CB-CB 3.77Å; P52-M316 HydrophobicContact CB-CG 3.8Å; P52-M316 HydrophobicContact CG-CB 4.08Å; P52-M316 HydrophobicContact CG-CG 3.52Å; P52-T317 VanDerWaalsContact C-OG1 3.24Å
53I96.6Very high94.5Very high84 Ų8455.3 Ų55.343%0.43129%0.288SS..G310 helixtrans-60.1-32.3177.6-161171.2000111.4L50 S51 L55 T56 T317L50-I53 VanDerWaalsContact O-CB 3.31Å; L50-I53 WeakPolarHBondContact O-CB 3.28Å; L50-I53 WeakPolarHBondContact O-CG2 3.36Å; L50-I53 PolarHBondContact O-N 3.47Å; S51-I53 PolarHBondContact O-N 2.67Å; I53-L55 PolarHBondContact O-N 3.47Å; I53-T56 WeakPolarHBondContact O-CB 3.4Å; I53-T56 WeakPolarHBondContact O-CG2 3.2Å; I53-T56 PolarHBondContact O-N 3.28Å; I53-T56 PolarHBondContact O-OG1 2.75Å; I53-T317 WeakPolarHBondContact CA-OG1 3.28Å; I53-T317 HydrophobicContact CB-CG2 4.07Å; I53-T317 HydrophobicContact CD1-CG2 4.48Å; I53-T317 HydrophobicContact CG1-CG2 4.3Å; I53-T317 PolarHBondContact N-OG1 3.45Å
54F96.1Very high94.5Very high103 Ų10354.1 Ų54.145%0.45228%0.282SS..G310 helixtrans-63.3-26.4177.6-63.7-61.8000112.2S51 P52 T56 I57 F60S51-F54 WeakPolarHBondContact O-CD2 3.39Å; S51-F54 PolarHBondContact O-N 2.85Å; S51-F54 VanDerWaalsContact O-N 3.16Å; P52-F54 PolarHBondContact O-N 3.39Å; F54-T56 PolarHBondContact O-N 2.93Å; F54-I57 HydrophobicContact CD1-CD1 4.21Å; F54-I57 WeakPolarHBondContact O-CB 3.49Å; F54-I57 PolarHBondContact O-N 2.59Å; F54-F60 VanDerWaalsContact C-CD1 3.43Å; F54-F60 HydrophobicContact CB-CD1 3.52Å; F54-F60 HydrophobicContact CB-CD2 4.46Å; F54-F60 HydrophobicContact CB-CE1 3.4Å; F54-F60 VanDerWaalsContact CB-CE1 3.4Å; F54-F60 HydrophobicContact CB-CE2 4.37Å; F54-F60 HydrophobicContact CB-CG 4.05Å; F54-F60 HydrophobicContact CB-CZ 3.86Å; F54-F60 HydrophobicContact CG-CE1 4.49Å; F54-F60 WeakPolarHBondContact O-CB 3.38Å; F54-F60 VanDerWaalsContact O-CD1 3.22Å; F54-F60 WeakPolarHBondContact O-CD1 3.34Å
55L94.5Very high94.3Very high2 Ų251.7 Ų51.71%0.0126%0.264CS..G310 helixtrans-69.5-11.8176.2-62.2175000113.1P52 I53 I57 F60 W61 V64 I105 A108 V109P52-L55 VanDerWaalsContact O-CB 3.29Å; P52-L55 WeakPolarHBondContact O-CB 3.45Å; P52-L55 PolarHBondContact O-N 3.36Å; I53-L55 PolarHBondContact O-N 3.47Å; L55-I57 VanDerWaalsContact C-N 3.27Å; L55-F60 HydrophobicContact CD2-CD1 4.08Å; L55-F60 HydrophobicContact CD2-CE1 4.03Å; L55-W61 HydrophobicContact CB-CE3 4.06Å; L55-W61 HydrophobicContact CB-CZ3 4.48Å; L55-W61 HydrophobicContact CD2-CE3 3.92Å; L55-W61 HydrophobicContact CD2-CZ3 4.29Å; L55-W61 HydrophobicContact CG-CE3 4.47Å; L55-V64 HydrophobicContact CD2-CB 4.35Å; L55-V64 HydrophobicContact CD2-CG1 4.28Å; L55-V64 HydrophobicContact CD2-CG2 4.5Å; L55-I105 HydrophobicContact CD2-CG2 4.16Å; L55-A108 HydrophobicContact CD1-CB 3.45Å; L55-A108 VanDerWaalsContact CD1-CB 3.45Å; L55-V109 HydrophobicContact CD1-CG2 4.09Å; L55-V109 HydrophobicContact CD2-CG2 3.84Å
56T92.4Very high94Very high50 Ų5054 Ų5431%0.30727%0.274SS..G310 helixtrans-74.4-20.9170.8710000112.5I53 F54 K314I53-T56 WeakPolarHBondContact O-CB 3.4Å; I53-T56 WeakPolarHBondContact O-CG2 3.2Å; I53-T56 PolarHBondContact O-N 3.28Å; I53-T56 PolarHBondContact O-OG1 2.75Å; F54-T56 PolarHBondContact O-N 2.93Å; T56-K314 HydrophobicContact CG2-CG 3.63Å
57I93.9Very high93.6Very high85 Ų8557.2 Ų57.244%0.43629%0.287SS..SBendtrans-83.2115.6179.6-57.1171.6000108.7F54 L55 P59 F60 W61F54-I57 HydrophobicContact CD1-CD1 4.21Å; F54-I57 WeakPolarHBondContact O-CB 3.49Å; F54-I57 PolarHBondContact O-N 2.59Å; L55-I57 VanDerWaalsContact C-N 3.27Å; I57-P59 HydrophobicContact CG2-CG 4.47Å; I57-F60 HydrophobicContact CB-CB 4.09Å; I57-F60 HydrophobicContact CG2-CB 4.27Å; I57-F60 WeakPolarHBondContact O-CB 3.35Å; I57-F60 PolarHBondContact O-N 3.11Å; I57-W61 PolarHBondContact O-N 3.02Å
58T91.5Very high93.4Very high88 Ų8859 Ų5954%0.5429%0.287SS..Hα-helixtrans-58.3-44.7-171.7-62.50000113.9F60 W61 K62T58-F60 VanDerWaalsContact C-N 3.32Å; T58-F60 PolarHBondContact O-N 3.19Å; T58-W61 PolarHBondContact O-N 2.78Å; T58-K62 WeakPolarHBondContact O-CG 3.2Å; T58-K62 PolarHBondContact O-N 2.82Å
59P93.5Very high93.2Very high97 Ų9759.9 Ų59.963%0.6329%0.289SS*.Hα-helixtrans-56.7-42.7173-27.734000113.6I57 K62 L63I57-P59 HydrophobicContact CG2-CG 4.47Å; P59-K62 PolarHBondContact O-N 2.94Å; P59-L63 WeakPolarHBondContact O-CB 3.31Å; P59-L63 PolarHBondContact O-N 3.47Å
60F92.9Very high92.9Very high53 Ų5360.1 Ų60.123%0.23229%0.291CS..Hα-helixtrans-68.9-42.7-180-171.8-95.1000111.7F54 L55 I57 T58 K62 L63 V64 I105F54-F60 VanDerWaalsContact C-CD1 3.43Å; F54-F60 HydrophobicContact CB-CD1 3.52Å; F54-F60 HydrophobicContact CB-CD2 4.46Å; F54-F60 HydrophobicContact CB-CE1 3.4Å; F54-F60 VanDerWaalsContact CB-CE1 3.4Å; F54-F60 HydrophobicContact CB-CE2 4.37Å; F54-F60 HydrophobicContact CB-CG 4.05Å; F54-F60 HydrophobicContact CB-CZ 3.86Å; F54-F60 HydrophobicContact CG-CE1 4.49Å; F54-F60 WeakPolarHBondContact O-CB 3.38Å; F54-F60 VanDerWaalsContact O-CD1 3.22Å; F54-F60 WeakPolarHBondContact O-CD1 3.34Å; L55-F60 HydrophobicContact CD2-CD1 4.08Å; L55-F60 HydrophobicContact CD2-CE1 4.03Å; I57-F60 HydrophobicContact CB-CB 4.09Å; I57-F60 HydrophobicContact CG2-CB 4.27Å; I57-F60 WeakPolarHBondContact O-CB 3.35Å; I57-F60 PolarHBondContact O-N 3.11Å; T58-F60 VanDerWaalsContact C-N 3.32Å; T58-F60 PolarHBondContact O-N 3.19Å; F60-K62 VanDerWaalsContact C-N 3.33Å; F60-K62 PolarHBondContact O-N 2.72Å; F60-L63 WeakPolarHBondContact O-CB 3.38Å; F60-L63 PolarHBondContact O-N 3.31Å; F60-L63 VanDerWaalsContact O-N 3.11Å; F60-V64 HydrophobicContact CD1-CG2 3.87Å; F60-V64 HydrophobicContact CE1-CG2 3.45Å; F60-V64 VanDerWaalsContact CE1-CG2 3.45Å; F60-V64 HydrophobicContact CE2-CG2 4.19Å; F60-V64 HydrophobicContact CG-CG2 4.43Å; F60-V64 HydrophobicContact CZ-CG2 3.63Å; F60-V64 PolarHBondContact O-N 3.06Å; F60-I105 HydrophobicContact CE1-CD1 4.28Å; F60-I105 HydrophobicContact CZ-CD1 4.12Å
61W90.3Very high92.7Very high71 Ų7159.3 Ų59.327%0.26929%0.288SS..Hα-helixtrans-54.3-47.9172174.9-98.1000111.9L55 I57 T58 L63 N65 V109 P312L55-W61 HydrophobicContact CB-CE3 4.06Å; L55-W61 HydrophobicContact CB-CZ3 4.48Å; L55-W61 HydrophobicContact CD2-CE3 3.92Å; L55-W61 HydrophobicContact CD2-CZ3 4.29Å; L55-W61 HydrophobicContact CG-CE3 4.47Å; I57-W61 PolarHBondContact O-N 3.02Å; T58-W61 PolarHBondContact O-N 2.78Å; W61-L63 VanDerWaalsContact C-N 3.31Å; W61-L63 PolarHBondContact O-N 2.99Å; W61-N65 WeakPolarHBondContact CZ2-ND2 3.22Å; W61-N65 PolarHBondContact O-N 2.56Å; W61-N65 PolarHBondContact O-ND2 3.14Å; W61-V109 HydrophobicContact CZ3-CG2 4.17Å; W61-P312 HydrophobicContact CH2-CB 4.42Å; W61-P312 HydrophobicContact CH2-CG 3.67Å; W61-P312 HydrophobicContact CZ3-CB 4.21Å; W61-P312 HydrophobicContact CZ3-CG 3.87Å
62K90.4Very high92.5Very high141 Ų14162.7 Ų62.761%0.61331%0.305SS*.Hα-helixtrans-62.9-38.1176.8-72.6-179.5-179.4-178.80112.2T58 P59 F60T58-K62 WeakPolarHBondContact O-CG 3.2Å; T58-K62 PolarHBondContact O-N 2.82Å; P59-K62 PolarHBondContact O-N 2.94Å; F60-K62 VanDerWaalsContact C-N 3.33Å; F60-K62 PolarHBondContact O-N 2.72Å
63L92.4Very high92.5Very high56 Ų5663.6 Ų63.629%0.29331%0.31SS..Hα-helixtrans-66.4-50.3179.4-179.660.5000111.8P59 F60 W61 N65 K66 W68 M69P59-L63 WeakPolarHBondContact O-CB 3.31Å; P59-L63 PolarHBondContact O-N 3.47Å; F60-L63 WeakPolarHBondContact O-CB 3.38Å; F60-L63 PolarHBondContact O-N 3.31Å; F60-L63 VanDerWaalsContact O-N 3.11Å; W61-L63 VanDerWaalsContact C-N 3.31Å; W61-L63 PolarHBondContact O-N 2.99Å; L63-N65 VanDerWaalsContact C-N 3.27Å; L63-N65 PolarHBondContact O-N 3.32Å; L63-K66 HydrophobicContact CD1-CD 4.36Å; L63-K66 VanDerWaalsContact O-CB 3.27Å; L63-K66 WeakPolarHBondContact O-CB 3.35Å; L63-K66 WeakPolarHBondContact O-CG 3.43Å; L63-K66 PolarHBondContact O-N 2.83Å; L63-W68 HydrophobicContact CD1-CH2 4.05Å; L63-W68 HydrophobicContact CD1-CZ2 3.62Å; L63-M69 HydrophobicContact CD1-CE 3.88Å; L63-M69 HydrophobicContact CD2-CE 3.69Å; L63-M69 HydrophobicContact CG-CE 3.65Å; L63-M69 HydrophobicContact CG-CG 4.27Å; L63-M69 VanDerWaalsContact O-CB 3.28Å; L63-M69 WeakPolarHBondContact O-CB 3.48Å
64V92.1Very high92.4Very high1 Ų160.4 Ų60.41%0.00629%0.292CS..Hα-helixtrans-66.7-27.7-178.2171.50000112.7L55 F60 K66 M69 L73 I105 V109L55-V64 HydrophobicContact CD2-CB 4.35Å; L55-V64 HydrophobicContact CD2-CG1 4.28Å; L55-V64 HydrophobicContact CD2-CG2 4.5Å; F60-V64 HydrophobicContact CD1-CG2 3.87Å; F60-V64 HydrophobicContact CE1-CG2 3.45Å; F60-V64 VanDerWaalsContact CE1-CG2 3.45Å; F60-V64 HydrophobicContact CE2-CG2 4.19Å; F60-V64 HydrophobicContact CG-CG2 4.43Å; F60-V64 HydrophobicContact CZ-CG2 3.63Å; F60-V64 PolarHBondContact O-N 3.06Å; V64-K66 PolarHBondContact O-N 2.85Å; V64-M69 HydrophobicContact CG2-CG 4.21Å; V64-L73 HydrophobicContact CG1-CD1 3.8Å; V64-L73 HydrophobicContact CG2-CD1 4.1Å; V64-I105 HydrophobicContact CG1-CG2 3.67Å; V64-I105 HydrophobicContact CG2-CG2 4.21Å; V64-V109 HydrophobicContact CG1-CB 4.48Å; V64-V109 HydrophobicContact CG1-CG2 3.51Å
65N88.4Confident92.4Very high18 Ų1859.7 Ų59.710%0.09629%0.292CS..THydrogen-bonded Turntrans-74.4-8.5173.6-82.3-84.9000113.8W61 L63W61-N65 WeakPolarHBondContact CZ2-ND2 3.22Å; W61-N65 PolarHBondContact O-N 2.56Å; W61-N65 PolarHBondContact O-ND2 3.14Å; L63-N65 VanDerWaalsContact C-N 3.27Å; L63-N65 PolarHBondContact O-N 3.32Å
66K89.9Confident92.6Very high107 Ų10762.7 Ų62.747%0.46531%0.307SS..SBendtrans-71.9136171.2-61.8-174.8-178.9-179.20109.6L63 V64 W68 M69 L70L63-K66 HydrophobicContact CD1-CD 4.36Å; L63-K66 VanDerWaalsContact O-CB 3.27Å; L63-K66 WeakPolarHBondContact O-CB 3.35Å; L63-K66 WeakPolarHBondContact O-CG 3.43Å; L63-K66 PolarHBondContact O-N 2.83Å; V64-K66 PolarHBondContact O-N 2.85Å; K66-W68 VanDerWaalsContact C-N 3.32Å; K66-W68 PolarHBondContact O-N 2.8Å; K66-M69 PolarHBondContact O-N 2.99Å; K66-L70 PolarHBondContact O-N 2.71Å
67K87.9Confident92.8Very high80 Ų8060.9 Ų60.935%0.34830%0.297SS..Hα-helixtrans-50.7-47.4-178.4-177.6169.6179.8157.60113.4M69 L70 T71 I168 D171 D173K67-M69 VanDerWaalsContact C-N 3.33Å; K67-M69 PolarHBondContact O-N 3.28Å; K67-L70 PolarHBondContact O-N 2.93Å; K67-T71 WeakPolarHBondContact O-CB 3.49Å; K67-T71 PolarHBondContact O-N 2.96Å; K67-T71 PolarHBondContact O-OG1 3.35Å; K67-I168 WeakPolarHBondContact CE-O 3.33Å; K67-I168 PolarHBondContact NZ-O 3.3Å; K67-D171 WeakPolarHBondContact CE-O 3.29Å; K67-D171 PolarHBondContact NZ-O 3.35Å; K67-D173 WeakPolarHBondContact CB-OD1 3.11Å
68W90.5Very high92.9Very high143 Ų14357.3 Ų57.354%0.54228%0.279SS..Hα-helixtrans-63.6-36-178.671-96.6000113.3L63 K66 T71 L72L63-W68 HydrophobicContact CD1-CH2 4.05Å; L63-W68 HydrophobicContact CD1-CZ2 3.62Å; K66-W68 VanDerWaalsContact C-N 3.32Å; K66-W68 PolarHBondContact O-N 2.8Å; W68-T71 WeakPolarHBondContact O-CB 3.31Å; W68-L72 WeakPolarHBondContact O-CB 3.24Å; W68-L72 PolarHBondContact O-N 2.97Å
69M94.2Very high93Very high29 Ų2955 Ų5514%0.14327%0.272CS..Hα-helixtrans-73.8-44.1179.6-178.858.28100110.6L63 V64 K66 K67 T71 L72 L73L63-M69 HydrophobicContact CD1-CE 3.88Å; L63-M69 HydrophobicContact CD2-CE 3.69Å; L63-M69 HydrophobicContact CG-CE 3.65Å; L63-M69 HydrophobicContact CG-CG 4.27Å; L63-M69 VanDerWaalsContact O-CB 3.28Å; L63-M69 WeakPolarHBondContact O-CB 3.48Å; V64-M69 HydrophobicContact CG2-CG 4.21Å; K66-M69 PolarHBondContact O-N 2.99Å; K67-M69 VanDerWaalsContact C-N 3.33Å; K67-M69 PolarHBondContact O-N 3.28Å; M69-T71 VanDerWaalsContact C-N 3.26Å; M69-T71 PolarHBondContact O-N 3.35Å; M69-L72 WeakPolarHBondContact O-CB 3.25Å; M69-L72 PolarHBondContact O-N 2.8Å; M69-L72 VanDerWaalsContact O-N 3.16Å; M69-L72 HydrophobicContact SD-CD2 4.14Å; M69-L73 HydrophobicContact CG-CD1 4.34Å; M69-L73 WeakPolarHBondContact O-CG 3.46Å; M69-L73 PolarHBondContact O-N 3.22Å; M69-L73 HydrophobicContact SD-CG 4.46Å
70L91.6Very high93.2Very high8 Ų850.5 Ų50.54%0.04224%0.243CC..Hα-helixtrans-61-39.2174.7-170.165.4000111.3K66 K67 L73 R74 V106 V109 T110K66-L70 PolarHBondContact O-N 2.71Å; K67-L70 PolarHBondContact O-N 2.93Å; L70-L73 PolarHBondContact O-N 2.82Å; L70-R74 WeakPolarHBondContact O-CG 2.99Å; L70-R74 PolarHBondContact O-N 3.45Å; L70-V106 HydrophobicContact CD1-CG1 4.39Å; L70-V106 HydrophobicContact CD1-CG2 4.17Å; L70-V109 HydrophobicContact CD1-CG1 4.31Å; L70-T110 HydrophobicContact CD1-CG2 4.38Å; L70-T110 HydrophobicContact CD2-CG2 4.27Å
71T92.1Very high93.3Very high26 Ų2648 Ų4816%0.1623%0.232CC..Hα-helixtrans-58.9-49.5171.7-68.80000111.7K67 W68 M69 L73 R74 I75 I168K67-T71 WeakPolarHBondContact O-CB 3.49Å; K67-T71 PolarHBondContact O-N 2.96Å; K67-T71 PolarHBondContact O-OG1 3.35Å; W68-T71 WeakPolarHBondContact O-CB 3.31Å; M69-T71 VanDerWaalsContact C-N 3.26Å; M69-T71 PolarHBondContact O-N 3.35Å; T71-L73 VanDerWaalsContact C-N 3.33Å; T71-L73 PolarHBondContact O-N 3.28Å; T71-R74 PolarHBondContact O-N 3.17Å; T71-I75 HydrophobicContact CG2-CD1 3.82Å; T71-I75 WeakPolarHBondContact O-CG1 3.42Å; T71-I75 PolarHBondContact O-N 2.97Å; T71-I168 HydrophobicContact CG2-CD1 3.49Å; T71-I168 VanDerWaalsContact CG2-CD1 3.49Å; T71-I168 HydrophobicContact CG2-CG1 3.7Å; T71-I168 HydrophobicContact CG2-CG2 4.06Å
72L95.3Very high93.5Very high75 Ų7546.3 Ų46.339%0.39323%0.234SC..Hα-helixtrans-57.9-45.9177.9178.162.3000111.4W68 M69 R74 I75 I76W68-L72 WeakPolarHBondContact O-CB 3.24Å; W68-L72 PolarHBondContact O-N 2.97Å; M69-L72 WeakPolarHBondContact O-CB 3.25Å; M69-L72 PolarHBondContact O-N 2.8Å; M69-L72 VanDerWaalsContact O-N 3.16Å; M69-L72 HydrophobicContact SD-CD2 4.14Å; L72-R74 PolarHBondContact O-N 3.18Å; L72-I75 WeakPolarHBondContact O-CB 3.34Å; L72-I75 PolarHBondContact O-N 2.69Å; L72-I76 HydrophobicContact CD1-CD1 4.26Å; L72-I76 HydrophobicContact CD1-CG1 4.44Å; L72-I76 HydrophobicContact CG-CD1 3.99Å; L72-I76 WeakPolarHBondContact O-CG1 3.4Å; L72-I76 PolarHBondContact O-N 3.03Å
73L96.4Very high93.8Very high19 Ų1939.8 Ų39.810%0.09921%0.205CC..Hα-helixtrans-63.3-40.1178.3-68.8170.7000112.5V64 M69 L70 T71 I75 I76 T77 S102 I105 V106V64-L73 HydrophobicContact CG1-CD1 3.8Å; V64-L73 HydrophobicContact CG2-CD1 4.1Å; M69-L73 HydrophobicContact CG-CD1 4.34Å; M69-L73 WeakPolarHBondContact O-CG 3.46Å; M69-L73 PolarHBondContact O-N 3.22Å; M69-L73 HydrophobicContact SD-CG 4.46Å; L70-L73 PolarHBondContact O-N 2.82Å; T71-L73 VanDerWaalsContact C-N 3.33Å; T71-L73 PolarHBondContact O-N 3.28Å; L73-I75 VanDerWaalsContact C-N 3.34Å; L73-I75 PolarHBondContact O-N 2.82Å; L73-I76 PolarHBondContact O-N 2.83Å; L73-T77 PolarHBondContact O-N 2.81Å; L73-T77 PolarHBondContact O-OG1 2.95Å; L73-S102 WeakPolarHBondContact CA-OG 3.36Å; L73-S102 VanDerWaalsContact CB-OG 3.3Å; L73-S102 WeakPolarHBondContact CB-OG 3.27Å; L73-S102 WeakPolarHBondContact CD2-OG 3.26Å; L73-S102 PolarHBondContact O-OG 2.88Å; L73-I105 HydrophobicContact CD1-CB 4.49Å; L73-I105 HydrophobicContact CD1-CG2 3.64Å; L73-V106 HydrophobicContact CB-CG2 3.57Å
74R95.1Very high93.8Very high17 Ų1738.8 Ų38.86%0.06420%0.199CC..Hα-helixtrans-61.8-43.2173-71.1172.9178.4-90.49.7111.2L70 T71 L72 T77 V78 V106 T164 D171L70-R74 WeakPolarHBondContact O-CG 2.99Å; L70-R74 PolarHBondContact O-N 3.45Å; T71-R74 PolarHBondContact O-N 3.17Å; L72-R74 PolarHBondContact O-N 3.18Å; R74-T77 WeakPolarHBondContact O-CB 3.32Å; R74-T77 PolarHBondContact O-N 3.47Å; R74-V78 WeakPolarHBondContact O-CG2 3.29Å; R74-V78 PolarHBondContact O-N 2.71Å; R74-V106 HydrophobicContact CG-CG1 4.01Å; R74-V106 HydrophobicContact CG-CG2 4.16Å; R74-T164 HydrophobicContact CB-CG2 3.69Å; R74-D171 IonicContact CZ-OD2 3.82Å; R74-D171 IonicContact NH2-OD2 3.47Å; R74-D171 PolarHBondContact NH2-OD2 2.69Å
75I95.6Very high93.8Very high88 Ų8842.9 Ų42.945%0.45122%0.218SC..Hα-helixtrans-62.2-43.5176.1-67.5166.5000110.9T71 L72 L73 T77 V78 G79 I168T71-I75 HydrophobicContact CG2-CD1 3.82Å; T71-I75 WeakPolarHBondContact O-CG1 3.42Å; T71-I75 PolarHBondContact O-N 2.97Å; L72-I75 WeakPolarHBondContact O-CB 3.34Å; L72-I75 PolarHBondContact O-N 2.69Å; L73-I75 VanDerWaalsContact C-N 3.34Å; L73-I75 PolarHBondContact O-N 2.82Å; I75-T77 VanDerWaalsContact C-N 3.33Å; I75-T77 PolarHBondContact O-N 3.43Å; I75-V78 PolarHBondContact O-N 2.87Å; I75-G79 WeakPolarHBondContact O-CA 3.26Å; I75-G79 PolarHBondContact O-N 2.58Å; I75-I168 HydrophobicContact CD1-CD1 4.5Å; I75-I168 HydrophobicContact CG1-CD1 4.47Å
76I97.3Very high94.1Very high64 Ų6442.7 Ų42.733%0.32822%0.219SC..Hα-helixtrans-60.7-43.8175.7-69.1165.8000110.7L72 L73 V78 G79 S80 L98L72-I76 HydrophobicContact CD1-CD1 4.26Å; L72-I76 HydrophobicContact CD1-CG1 4.44Å; L72-I76 HydrophobicContact CG-CD1 3.99Å; L72-I76 WeakPolarHBondContact O-CG1 3.4Å; L72-I76 PolarHBondContact O-N 3.03Å; L73-I76 PolarHBondContact O-N 2.83Å; I76-V78 PolarHBondContact O-N 3.35Å; I76-G79 PolarHBondContact O-N 2.69Å; I76-S80 WeakPolarHBondContact O-CB 3.04Å; I76-S80 PolarHBondContact O-N 3.33Å; I76-L98 HydrophobicContact CG2-CB 4.44Å
77T96.9Very high94.3Very high13 Ų1342.4 Ų42.48%0.0823%0.228CC..Hα-helixtrans-58.7-49.7179.1-55.10000110.8I17 L21 L73 R74 I75 S80 S102 S103I17-T77 HydrophobicContact CG2-CG2 4.31Å; L21-T77 HydrophobicContact CD1-CG2 3.88Å; L73-T77 PolarHBondContact O-N 2.81Å; L73-T77 PolarHBondContact O-OG1 2.95Å; R74-T77 WeakPolarHBondContact O-CB 3.32Å; R74-T77 PolarHBondContact O-N 3.47Å; I75-T77 VanDerWaalsContact C-N 3.33Å; I75-T77 PolarHBondContact O-N 3.43Å; T77-S80 PolarHBondContact O-OG 3.12Å; T77-S102 WeakPolarHBondContact OG1-CB 3.24Å; T77-S102 PolarHBondContact OG1-OG 3.23Å; T77-S103 PolarHBondContact OG1-N 3.03Å
78V95.8Very high94.6Very high9 Ų941.8 Ų41.86%0.05523%0.229CC..Hα-helixtrans-71.5-42.8179.6177.40000111.9R74 I75 I76 S80 I81 L157 T160 T164R74-V78 WeakPolarHBondContact O-CG2 3.29Å; R74-V78 PolarHBondContact O-N 2.71Å; I75-V78 PolarHBondContact O-N 2.87Å; I76-V78 PolarHBondContact O-N 3.35Å; V78-S80 PolarHBondContact O-N 3.31Å; V78-I81 VanDerWaalsContact O-CB 3.26Å; V78-I81 WeakPolarHBondContact O-CB 3.21Å; V78-I81 WeakPolarHBondContact O-CG1 3.28Å; V78-I81 PolarHBondContact O-N 2.93Å; V78-I81 VanDerWaalsContact O-N 3.09Å; V78-L157 HydrophobicContact CG1-CD1 3.81Å; V78-L157 VanDerWaalsContact O-CD1 3.27Å; V78-L157 WeakPolarHBondContact O-CD1 3.39Å; V78-T160 HydrophobicContact CB-CG2 4.36Å; V78-T160 HydrophobicContact CG1-CG2 4.02Å; V78-T160 HydrophobicContact CG2-CG2 3.47Å; V78-T160 VanDerWaalsContact CG2-CG2 3.47Å; V78-T164 VanDerWaalsContact CG2-OG1 3.23Å; V78-T164 WeakPolarHBondContact CG2-OG1 3.48Å
79G95.1Very high94.7Very high39 Ų3935.5 Ų35.540%0.40221%0.207SC..Hα-helixtrans-60.8-28.517800000112.8I75 I76 I81 A82I75-G79 WeakPolarHBondContact O-CA 3.26Å; I75-G79 PolarHBondContact O-N 2.58Å; I76-G79 PolarHBondContact O-N 2.69Å; G79-I81 PolarHBondContact O-N 2.93Å; G79-I81 VanDerWaalsContact O-N 3.15Å; G79-A82 VanDerWaalsContact O-CB 3.26Å; G79-A82 WeakPolarHBondContact O-CB 3.31Å; G79-A82 PolarHBondContact O-N 2.9Å
80S96.8Very high94.8Very high3 Ų340.4 Ų40.42%0.02123%0.227CC..G310 helixtrans-63-19.5176.2750000114.1L21 I76 T77 V78 A82 S83 V95 G99L21-S80 WeakPolarHBondContact CD2-OG 3.42Å; I76-S80 WeakPolarHBondContact O-CB 3.04Å; I76-S80 PolarHBondContact O-N 3.33Å; T77-S80 PolarHBondContact O-OG 3.12Å; V78-S80 PolarHBondContact O-N 3.31Å; S80-A82 PolarHBondContact O-N 3.49Å; S80-S83 WeakPolarHBondContact O-CB 3.5Å; S80-S83 PolarHBondContact O-N 3.26Å; S80-S83 PolarHBondContact O-OG 2.99Å; S80-V95 WeakPolarHBondContact CB-O 3.39Å; S80-G99 VanDerWaalsContact CB-CA 3.44Å; S80-G99 WeakPolarHBondContact OG-CA 3.49Å
81I95.6Very high95Very high0 Ų043.5 Ų43.50%024%0.244CC..G310 helixtrans-62.4-28.8172.3-63.6167.8000111.7I17 V78 G79 S83 F84 I146 W147 N153 L157I17-I81 HydrophobicContact CD1-CD1 3.48Å; I17-I81 VanDerWaalsContact CD1-CD1 3.48Å; I17-I81 HydrophobicContact CG1-CD1 3.93Å; I17-I81 HydrophobicContact CG2-CD1 3.84Å; I17-I81 HydrophobicContact CG2-CG1 4.26Å; V78-I81 VanDerWaalsContact O-CB 3.26Å; V78-I81 WeakPolarHBondContact O-CB 3.21Å; V78-I81 WeakPolarHBondContact O-CG1 3.28Å; V78-I81 PolarHBondContact O-N 2.93Å; V78-I81 VanDerWaalsContact O-N 3.09Å; G79-I81 PolarHBondContact O-N 2.93Å; G79-I81 VanDerWaalsContact O-N 3.15Å; I81-S83 PolarHBondContact O-N 2.94Å; I81-S83 VanDerWaalsContact O-N 3.14Å; I81-F84 PolarHBondContact O-N 2.81Å; I81-I146 HydrophobicContact CB-CG2 4.49Å; I81-I146 HydrophobicContact CG2-CG2 3.49Å; I81-I146 VanDerWaalsContact CG2-CG2 3.49Å; I81-W147 HydrophobicContact CB-CH2 4.45Å; I81-W147 HydrophobicContact CG1-CH2 4.39Å; I81-N153 VanDerWaalsContact CG2-ND2 3.33Å; I81-N153 WeakPolarHBondContact CG2-ND2 3.41Å; I81-N153 PolarHBondContact O-ND2 2.91Å; I81-L157 HydrophobicContact CB-CD1 4.11Å; I81-L157 HydrophobicContact CG2-CB 4.24Å; I81-L157 HydrophobicContact CG2-CD1 4.46Å
82A94.9Very high95.2Very high37 Ų3742.5 Ų42.531%0.30624%0.237SC..G310 helixtrans-67.6-8174.600000112.9G79 S80 F84 Q85 L157G79-A82 VanDerWaalsContact O-CB 3.26Å; G79-A82 WeakPolarHBondContact O-CB 3.31Å; G79-A82 PolarHBondContact O-N 2.9Å; S80-A82 PolarHBondContact O-N 3.49Å; A82-F84 PolarHBondContact O-N 2.87Å; A82-F84 VanDerWaalsContact O-N 3.11Å; A82-Q85 PolarHBondContact O-N 3.24Å; A82-L157 HydrophobicContact CB-CD2 4.44Å
83S95.1Very high95.2Very high3 Ų339 Ų392%0.02122%0.218CC..G310 helixtrans-56.6-23.1171.362.90000113.3S80 I81 Q85 A86 L96 W444S80-S83 WeakPolarHBondContact O-CB 3.5Å; S80-S83 PolarHBondContact O-N 3.26Å; S80-S83 PolarHBondContact O-OG 2.99Å; I81-S83 PolarHBondContact O-N 2.94Å; I81-S83 VanDerWaalsContact O-N 3.14Å; S83-Q85 PolarHBondContact O-N 2.95Å; S83-A86 WeakPolarHBondContact O-CB 3.38Å; S83-A86 PolarHBondContact O-N 2.91Å; S83-L96 WeakPolarHBondContact OG-CD2 3.3Å; S83-W444 WeakPolarHBondContact O-CH2 3.47Å
84F93Very high95.3Very high36 Ų3642.6 Ų42.616%0.15824%0.236CC..G310 helixtrans-61.3-20.2171.8-173.7-111.8000113.3I81 A82 W147 Q150 N153 W444I81-F84 PolarHBondContact O-N 2.81Å; A82-F84 PolarHBondContact O-N 2.87Å; A82-F84 VanDerWaalsContact O-N 3.11Å; F84-W147 HydrophobicContact CB-CE3 4.14Å; F84-W147 HydrophobicContact CB-CZ3 4.33Å; F84-W147 WeakPolarHBondContact CE2-O 3.28Å; F84-Q150 HydrophobicContact CE1-CB 4.18Å; F84-N153 VanDerWaalsContact CB-ND2 3.28Å; F84-N153 WeakPolarHBondContact CB-ND2 3.36Å; F84-N153 HydrophobicContact CD1-CB 3.96Å; F84-W444 HydrophobicContact CD2-CE3 4.28Å; F84-W444 AromaticContact CD2-CZ3 3.89Å; F84-W444 HydrophobicContact CD2-CZ3 3.89Å; F84-W444 HydrophobicContact CE2-CE3 4.26Å; F84-W444 HydrophobicContact CE2-CZ3 4.33Å; F84-W444 WeakPolarHBondContact O-CH2 3.34Å
85Q92.6Very high95.4Very high86 Ų8643.7 Ų43.740%0.40225%0.245SC..G310 helixtrans-10012.5173.7-63.2110.280.500113A82 S83 N153A82-Q85 PolarHBondContact O-N 3.24Å; S83-Q85 PolarHBondContact O-N 2.95Å; Q85-N153 PolarHBondContact NE2-OD1 3.46Å
86A94.4Very high95.5Very high14 Ų1439.5 Ų39.512%0.11622%0.223CC..  trans-61.2145.7178.300000110.7S83 N88 L91 R92 W444S83-A86 WeakPolarHBondContact O-CB 3.38Å; S83-A86 PolarHBondContact O-N 2.91Å; A86-N88 PolarHBondContact O-N 3.03Å; A86-L91 HydrophobicContact CB-CB 4.38Å; A86-R92 HydrophobicContact CB-CB 3.85Å; A86-W444 HydrophobicContact CB-CH2 4.4Å; A86-W444 WeakPolarHBondContact O-CZ2 3.19Å
87P93.7Very high95.5Very high102 Ų10236.8 Ų36.866%0.66221%0.21SC*.SBendtrans-74.5-14.7179.731.4-34000113.1L91P87-L91 HydrophobicContact CG-CD2 4.02Å
88N94.1Very high95.6Very high67 Ų6741.2 Ų41.236%0.35823%0.233SC..SBendtrans-154.8159.5177.260.469.9000112A86 K90 L91 R92A86-N88 PolarHBondContact O-N 3.03Å; N88-K90 VanDerWaalsContact C-N 3.31Å; N88-K90 PolarHBondContact O-N 2.81Å; N88-K90 PolarHBondContact OD1-N 3Å; N88-L91 PolarHBondContact O-N 2.99Å; N88-L91 PolarHBondContact OD1-N 2.76Å; N88-R92 PolarHBondContact O-N 3.03Å; N88-R92 VanDerWaalsContact O-N 3.11Å
89A93.5Very high95.7Very high10 Ų1040.8 Ų40.88%0.08323%0.23CC..Hα-helixtrans-52.2-42177.800000113.9M28 Y31 F32 R92 L93M28-A89 HydrophobicContact CE-CB 3.47Å; M28-A89 VanDerWaalsContact CE-CB 3.47Å; Y31-A89 HydrophobicContact CD1-CB 4.44Å; Y31-A89 HydrophobicContact CE1-CB 4.08Å; F32-A89 HydrophobicContact CE1-CB 4.02Å; F32-A89 HydrophobicContact CZ-CB 3.66Å; A89-R92 WeakPolarHBondContact O-CB 3.28Å; A89-R92 PolarHBondContact O-N 2.81Å; A89-L93 WeakPolarHBondContact O-CB 3.29Å; A89-L93 PolarHBondContact O-N 2.82Å
90K95.1Very high95.8Very high132 Ų13239 Ų3957%0.57421%0.211SC*.Hα-helixtrans-66.3-44.9-176.6-65.8179.5-177.31760111.5F32 N88 L93 M94F32-K90 HydrophobicContact CE1-CG 3.97Å; F32-K90 HydrophobicContact CZ-CG 4.06Å; N88-K90 VanDerWaalsContact C-N 3.31Å; N88-K90 PolarHBondContact O-N 2.81Å; N88-K90 PolarHBondContact OD1-N 3Å; K90-L93 PolarHBondContact O-N 2.87Å; K90-M94 WeakPolarHBondContact O-CG 3.26Å; K90-M94 PolarHBondContact O-N 3.24Å
91L96Very high95.9Very high73 Ų7340 Ų4038%0.38222%0.219SC..Hα-helixtrans-65.8-40.5176.3-173.364.3000111A86 P87 N88 L93 M94 V95A86-L91 HydrophobicContact CB-CB 4.38Å; P87-L91 HydrophobicContact CG-CD2 4.02Å; N88-L91 PolarHBondContact O-N 2.99Å; N88-L91 PolarHBondContact OD1-N 2.76Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 2.83Å; L91-M94 PolarHBondContact O-N 3.38Å; L91-V95 HydrophobicContact CD1-CG2 4.32Å; L91-V95 HydrophobicContact CG-CG2 4.35Å; L91-V95 WeakPolarHBondContact O-CG2 3.21Å; L91-V95 PolarHBondContact O-N 3.2Å
92R96.3Very high96Very high6 Ų640.2 Ų40.22%0.02322%0.22CC..Hα-helixtrans-55.5-50.3173.1172162.7178.7-156.24.3111.1D24 M28 A86 N88 A89 M94 V95 L96 G443 W444D24-R92 VanDerWaalsContact CG-NH2 3.29Å; D24-R92 IonicContact OD1-NH2 3.1Å; D24-R92 PolarHBondContact OD1-NH2 3.33Å; D24-R92 IonicContact OD2-CZ 3Å; D24-R92 IonicContact OD2-NE 3.97Å; D24-R92 IonicContact OD2-NH2 3.11Å; D24-R92 PolarHBondContact OD2-NH2 3.36Å; M28-R92 HydrophobicContact CG-CG 4.21Å; M28-R92 HydrophobicContact SD-CB 4.26Å; M28-R92 HydrophobicContact SD-CG 3.75Å; A86-R92 HydrophobicContact CB-CB 3.85Å; N88-R92 PolarHBondContact O-N 3.03Å; N88-R92 VanDerWaalsContact O-N 3.11Å; A89-R92 WeakPolarHBondContact O-CB 3.28Å; A89-R92 PolarHBondContact O-N 2.81Å; R92-M94 VanDerWaalsContact C-N 3.35Å; R92-M94 PolarHBondContact O-N 3.03Å; R92-V95 PolarHBondContact O-N 2.84Å; R92-L96 HydrophobicContact CG-CD1 3.64Å; R92-L96 HydrophobicContact CG-CG 4.17Å; R92-L96 WeakPolarHBondContact O-CB 3.32Å; R92-L96 WeakPolarHBondContact O-CG 3.48Å; R92-L96 PolarHBondContact O-N 2.79Å; R92-G443 PolarHBondContact NH1-O 3.01Å; R92-W444 HydrophobicContact CB-CH2 4.23Å; R92-W444 HydrophobicContact CG-CH2 4.27Å; R92-W444 VanDerWaalsContact CZ-CZ3 3.43Å
93L96.8Very high96.1Very high0 Ų038.6 Ų38.60%021%0.206CC..Hα-helixtrans-55.8-48.2178.5176.560.3000111.8L25 M28 I29 F32 L42 F45 A89 K90 L91 V95 L96 A97L25-L93 HydrophobicContact CD1-CD1 3.74Å; M28-L93 HydrophobicContact CB-CD1 4.39Å; M28-L93 HydrophobicContact CG-CB 3.91Å; M28-L93 HydrophobicContact CG-CD1 4.09Å; I29-L93 HydrophobicContact CG1-CD1 3.58Å; F32-L93 HydrophobicContact CD2-CD2 4.22Å; F32-L93 HydrophobicContact CE2-CB 4.26Å; F32-L93 HydrophobicContact CE2-CD2 3.7Å; F32-L93 HydrophobicContact CZ-CD2 4.47Å; L42-L93 HydrophobicContact CB-CD2 4Å; L42-L93 HydrophobicContact CD2-CD2 4.34Å; F45-L93 HydrophobicContact CB-CD1 4.02Å; F45-L93 HydrophobicContact CB-CD2 4.24Å; F45-L93 HydrophobicContact CB-CG 4.17Å; F45-L93 HydrophobicContact CD1-CG 4.37Å; F45-L93 HydrophobicContact CD2-CD2 3.6Å; F45-L93 HydrophobicContact CD2-CG 4.04Å; F45-L93 HydrophobicContact CE2-CD2 4.13Å; F45-L93 HydrophobicContact CG-CD1 4.33Å; F45-L93 HydrophobicContact CG-CD2 3.97Å; F45-L93 HydrophobicContact CG-CG 3.93Å; A89-L93 WeakPolarHBondContact O-CB 3.29Å; A89-L93 PolarHBondContact O-N 2.82Å; K90-L93 PolarHBondContact O-N 2.87Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 2.83Å; L93-V95 PolarHBondContact O-N 2.96Å; L93-L96 PolarHBondContact O-N 3.02Å; L93-A97 VanDerWaalsContact O-CB 3.31Å; L93-A97 WeakPolarHBondContact O-CB 3.44Å; L93-A97 PolarHBondContact O-N 2.84Å
94M97.1Very high96.3Very high95 Ų9538.5 Ų38.547%0.46821%0.206SC..Hα-helixtrans-59.7-46.6178.7-70.8176.568.500112.2F45 K90 L91 R92 A97 L98F45-M94 HydrophobicContact CE1-CB 4.35Å; F45-M94 HydrophobicContact CE1-CG 3.77Å; F45-M94 HydrophobicContact CZ-CG 3.63Å; K90-M94 WeakPolarHBondContact O-CG 3.26Å; K90-M94 PolarHBondContact O-N 3.24Å; L91-M94 PolarHBondContact O-N 3.38Å; R92-M94 VanDerWaalsContact C-N 3.35Å; R92-M94 PolarHBondContact O-N 3.03Å; M94-A97 PolarHBondContact O-N 2.85Å; M94-L98 WeakPolarHBondContact O-CG 3.27Å; M94-L98 PolarHBondContact O-N 2.83Å
95V97.7Very high96.5Very high41 Ų4137.3 Ų37.325%0.24820%0.201CC..Hα-helixtrans-67.8-40.2-178.9176.10000111.2S80 L91 R92 L93 L98 G99S80-V95 WeakPolarHBondContact CB-O 3.39Å; L91-V95 HydrophobicContact CD1-CG2 4.32Å; L91-V95 HydrophobicContact CG-CG2 4.35Å; L91-V95 WeakPolarHBondContact O-CG2 3.21Å; L91-V95 PolarHBondContact O-N 3.2Å; R92-V95 PolarHBondContact O-N 2.84Å; L93-V95 PolarHBondContact O-N 2.96Å; V95-L98 PolarHBondContact O-N 3.01Å; V95-G99 PolarHBondContact O-N 3.11Å
96L97.1Very high96.6Very high0 Ų033.9 Ų33.90%019%0.186CC..Hα-helixtrans-62.5-45174.1-75.4171.7000111.8L21 D24 L25 M28 S83 R92 L93 L98 G99 V100 W147L21-L96 HydrophobicContact CD2-CD2 3.94Å; D24-L96 HydrophobicContact CB-CD2 4.47Å; D24-L96 WeakPolarHBondContact OD2-CD1 3.01Å; L25-L96 HydrophobicContact CD1-CB 4.1Å; M28-L96 HydrophobicContact CB-CD1 3.95Å; M28-L96 HydrophobicContact CG-CD1 4.02Å; S83-L96 WeakPolarHBondContact OG-CD2 3.3Å; R92-L96 HydrophobicContact CG-CD1 3.64Å; R92-L96 HydrophobicContact CG-CG 4.17Å; R92-L96 WeakPolarHBondContact O-CB 3.32Å; R92-L96 WeakPolarHBondContact O-CG 3.48Å; R92-L96 PolarHBondContact O-N 2.79Å; L93-L96 PolarHBondContact O-N 3.02Å; L96-L98 VanDerWaalsContact C-N 3.33Å; L96-L98 PolarHBondContact O-N 2.65Å; L96-G99 CarbonylContact O-C 3.59Å; L96-G99 WeakPolarHBondContact O-CA 3.32Å; L96-G99 PolarHBondContact O-N 3.45Å; L96-G99 VanDerWaalsContact O-N 3.09Å; L96-V100 PolarHBondContact O-N 2.87Å; L96-W147 HydrophobicContact CD2-CH2 3.73Å; L96-W147 HydrophobicContact CD2-CZ2 4.16Å; L96-W147 HydrophobicContact CD2-CZ3 4.14Å
97A98.1Very high96.6Very high6 Ų633.8 Ų33.85%0.0518%0.183CC..Hα-helixtrans-61.4-40.5177.600000112.1L25 F45 A48 L93 M94 S101L25-A97 HydrophobicContact CD1-CB 4.23Å; F45-A97 HydrophobicContact CB-CB 4.4Å; F45-A97 HydrophobicContact CD1-CB 3.58Å; F45-A97 HydrophobicContact CE1-CB 4.37Å; F45-A97 HydrophobicContact CG-CB 4.44Å; A48-A97 HydrophobicContact CB-CB 3.93Å; A48-A97 WeakPolarHBondContact CB-O 3.12Å; L93-A97 VanDerWaalsContact O-CB 3.31Å; L93-A97 WeakPolarHBondContact O-CB 3.44Å; L93-A97 PolarHBondContact O-N 2.84Å; M94-A97 PolarHBondContact O-N 2.85Å; A97-S101 VanDerWaalsContact O-CB 3.28Å; A97-S101 WeakPolarHBondContact O-CB 3.47Å; A97-S101 PolarHBondContact O-N 3.38Å; A97-S101 PolarHBondContact O-OG 2.98Å
98L98Very high96.6Very high107 Ų10729 Ų2956%0.5615%0.151SC*.Hα-helixtrans-63.2-41.6171.8-72172.9000111.7I76 M94 V95 L96 S101 S102I76-L98 HydrophobicContact CG2-CB 4.44Å; M94-L98 WeakPolarHBondContact O-CG 3.27Å; M94-L98 PolarHBondContact O-N 2.83Å; V95-L98 PolarHBondContact O-N 3.01Å; L96-L98 VanDerWaalsContact C-N 3.33Å; L96-L98 PolarHBondContact O-N 2.65Å; L98-S101 PolarHBondContact O-N 3.5Å; L98-S102 VanDerWaalsContact O-CB 3.23Å; L98-S102 WeakPolarHBondContact O-CB 3.41Å; L98-S102 PolarHBondContact O-N 3.09Å
99G98.1Very high96.5Very high0 Ų025.8 Ų25.80%013%0.134CC..Hα-helixtrans-58.7-51.817500000113.3S80 V95 L96 S102 S103S80-G99 VanDerWaalsContact CB-CA 3.44Å; S80-G99 WeakPolarHBondContact OG-CA 3.49Å; V95-G99 PolarHBondContact O-N 3.11Å; L96-G99 CarbonylContact O-C 3.59Å; L96-G99 WeakPolarHBondContact O-CA 3.32Å; L96-G99 PolarHBondContact O-N 3.45Å; L96-G99 VanDerWaalsContact O-N 3.09Å; G99-S102 PolarHBondContact O-N 3.09Å; G99-S103 VanDerWaalsContact O-CB 3.3Å; G99-S103 WeakPolarHBondContact O-CB 3.41Å; G99-S103 PolarHBondContact O-N 3.43Å
100V98.3Very high96.4Very high0 Ų025.6 Ų25.60%013%0.132CC..Hα-helixtrans-60.4-48.2176.8169.10000110.8L21 Y22 L25 A48 F49 L96 S102 S103 L104L21-V100 HydrophobicContact CB-CG2 3.85Å; Y22-V100 HydrophobicContact CD1-CG1 4.27Å; Y22-V100 HydrophobicContact CD1-CG2 4.35Å; Y22-V100 HydrophobicContact CE1-CG1 4.21Å; L25-V100 HydrophobicContact CB-CG2 3.97Å; L25-V100 HydrophobicContact CD2-CB 3.9Å; L25-V100 HydrophobicContact CD2-CG1 4Å; L25-V100 HydrophobicContact CD2-CG2 3.7Å; L25-V100 HydrophobicContact CG-CG2 4.42Å; A48-V100 HydrophobicContact CB-CG1 4.49Å; F49-V100 HydrophobicContact CD1-CG1 3.8Å; F49-V100 HydrophobicContact CD2-CG1 4.44Å; F49-V100 HydrophobicContact CE1-CG1 3.8Å; F49-V100 HydrophobicContact CE2-CG1 4.48Å; F49-V100 HydrophobicContact CG-CG1 4.13Å; F49-V100 HydrophobicContact CZ-CG1 4.16Å; L96-V100 PolarHBondContact O-N 2.87Å; V100-S102 VanDerWaalsContact C-N 3.31Å; V100-S102 PolarHBondContact O-N 3.08Å; V100-S103 PolarHBondContact O-N 3.09Å; V100-L104 HydrophobicContact CG1-CD1 3.87Å; V100-L104 PolarHBondContact O-N 2.83Å
101S98.3Very high96.1Very high26 Ų2619.6 Ų19.618%0.18211%0.106CC..Hα-helixtrans-57.1-47179-630000111.3A48 S51 A97 L98 I105A48-S101 WeakPolarHBondContact CA-OG 3.24Å; A48-S101 VanDerWaalsContact CB-OG 3.31Å; A48-S101 WeakPolarHBondContact CB-OG 3.36Å; A48-S101 PolarHBondContact O-OG 3.09Å; S51-S101 WeakPolarHBondContact OG-CA 3.21Å; S51-S101 PolarHBondContact OG-O 2.88Å; A97-S101 VanDerWaalsContact O-CB 3.28Å; A97-S101 WeakPolarHBondContact O-CB 3.47Å; A97-S101 PolarHBondContact O-N 3.38Å; A97-S101 PolarHBondContact O-OG 2.98Å; L98-S101 PolarHBondContact O-N 3.5Å; S101-I105 WeakPolarHBondContact O-CG1 3.25Å; S101-I105 PolarHBondContact O-N 3.25Å
102S98.1Very high95.8Very high4 Ų418 Ų183%0.02810%0.095CC..Hα-helixtrans-66.6-44.6180-164.70000112L73 T77 L98 G99 V100 L104 I105 V106L73-S102 WeakPolarHBondContact CA-OG 3.36Å; L73-S102 VanDerWaalsContact CB-OG 3.3Å; L73-S102 WeakPolarHBondContact CB-OG 3.27Å; L73-S102 WeakPolarHBondContact CD2-OG 3.26Å; L73-S102 PolarHBondContact O-OG 2.88Å; T77-S102 WeakPolarHBondContact OG1-CB 3.24Å; T77-S102 PolarHBondContact OG1-OG 3.23Å; L98-S102 VanDerWaalsContact O-CB 3.23Å; L98-S102 WeakPolarHBondContact O-CB 3.41Å; L98-S102 PolarHBondContact O-N 3.09Å; G99-S102 PolarHBondContact O-N 3.09Å; V100-S102 VanDerWaalsContact C-N 3.31Å; V100-S102 PolarHBondContact O-N 3.08Å; S102-L104 PolarHBondContact O-N 3.19Å; S102-I105 PolarHBondContact O-N 3.13Å; S102-V106 WeakPolarHBondContact O-CG2 3.26Å; S102-V106 PolarHBondContact O-N 3.45Å
103S97.7Very high95.2Very high3 Ų318.3 Ų18.32%0.02110%0.098CC..Hα-helixtrans-57.2-47.9178.6-175.80000111.9S18 T77 G99 V100 I105 V106 Q107S18-S103 PolarHBondContact OG-OG 3.15Å; S18-S103 VanDerWaalsContact OG-OG 3.05Å; T77-S103 PolarHBondContact OG1-N 3.03Å; G99-S103 VanDerWaalsContact O-CB 3.3Å; G99-S103 WeakPolarHBondContact O-CB 3.41Å; G99-S103 PolarHBondContact O-N 3.43Å; V100-S103 PolarHBondContact O-N 3.09Å; S103-I105 PolarHBondContact O-N 3.44Å; S103-V106 PolarHBondContact O-N 3.06Å; S103-Q107 VanDerWaalsContact O-CG 3.3Å; S103-Q107 WeakPolarHBondContact O-CG 3.43Å; S103-Q107 PolarHBondContact O-N 3.28Å; S103-Q107 PolarHBondContact OG-NE2 2.77Å
104L97.8Very high94.5Very high1 Ų120.1 Ų20.11%0.00512%0.117CC..Hα-helixtrans-63.1-40.2179-77.5165.9000112.9Y22 F49 P52 V100 S102 Q107 A108 M320Y22-L104 HydrophobicContact CE1-CD2 4.23Å; Y22-L104 HydrophobicContact CE1-CG 4.06Å; Y22-L104 WeakPolarHBondContact OH-CD2 3.39Å; Y22-L104 WeakPolarHBondContact OH-CG 3.32Å; F49-L104 HydrophobicContact CB-CD1 4.37Å; F49-L104 HydrophobicContact CD1-CD1 4.05Å; F49-L104 WeakPolarHBondContact O-CD1 3.3Å; P52-L104 HydrophobicContact CG-CB 3.95Å; V100-L104 HydrophobicContact CG1-CD1 3.87Å; V100-L104 PolarHBondContact O-N 2.83Å; S102-L104 PolarHBondContact O-N 3.19Å; L104-Q107 PolarHBondContact O-N 2.92Å; L104-A108 VanDerWaalsContact O-CB 3.29Å; L104-A108 WeakPolarHBondContact O-CB 3.12Å; L104-A108 PolarHBondContact O-N 2.77Å; L104-M320 HydrophobicContact CD1-CG 4.26Å; L104-M320 HydrophobicContact CD1-SD 4.3Å; L104-M320 HydrophobicContact CD2-CG 3.92Å; L104-M320 HydrophobicContact CD2-SD 3.64Å
105I97.1Very high93.7Very high10 Ų1018.1 Ų18.15%0.05111%0.112CC..Hα-helixtrans-64.1-46.8175.3-70.1167.8000110.4L55 F60 V64 L73 S101 S102 S103 Q107 A108 V109L55-I105 HydrophobicContact CD2-CG2 4.16Å; F60-I105 HydrophobicContact CE1-CD1 4.28Å; F60-I105 HydrophobicContact CZ-CD1 4.12Å; V64-I105 HydrophobicContact CG1-CG2 3.67Å; V64-I105 HydrophobicContact CG2-CG2 4.21Å; L73-I105 HydrophobicContact CD1-CB 4.49Å; L73-I105 HydrophobicContact CD1-CG2 3.64Å; S101-I105 WeakPolarHBondContact O-CG1 3.25Å; S101-I105 PolarHBondContact O-N 3.25Å; S102-I105 PolarHBondContact O-N 3.13Å; S103-I105 PolarHBondContact O-N 3.44Å; I105-Q107 PolarHBondContact O-N 2.93Å; I105-A108 PolarHBondContact O-N 3.06Å; I105-V109 HydrophobicContact CG2-CG2 4.49Å; I105-V109 WeakPolarHBondContact O-CG2 3.41Å; I105-V109 PolarHBondContact O-N 3.19Å
106V95.3Very high92.9Very high15 Ų1518.6 Ų18.69%0.09111%0.112CC..Hα-helixtrans-59.5-46.3177.8171.30000110.4L70 L73 R74 S102 S103 V109 T110L70-V106 HydrophobicContact CD1-CG1 4.39Å; L70-V106 HydrophobicContact CD1-CG2 4.17Å; L73-V106 HydrophobicContact CB-CG2 3.57Å; R74-V106 HydrophobicContact CG-CG1 4.01Å; R74-V106 HydrophobicContact CG-CG2 4.16Å; S102-V106 WeakPolarHBondContact O-CG2 3.26Å; S102-V106 PolarHBondContact O-N 3.45Å; S103-V106 PolarHBondContact O-N 3.06Å; V106-V109 PolarHBondContact O-N 2.94Å; V106-T110 HydrophobicContact CG1-CG2 4.09Å; V106-T110 VanDerWaalsContact O-CB 3.27Å; V106-T110 WeakPolarHBondContact O-CB 3.13Å; V106-T110 WeakPolarHBondContact O-CG2 3.41Å; V106-T110 PolarHBondContact O-N 3.11Å; V106-T110 PolarHBondContact O-OG1 2.84Å
107Q94.4Very high92.2Very high12 Ų1220.6 Ų20.66%0.05612%0.122CC..Hα-helixtrans-62.1-50.7178-72.5172.618.100112S18 Y22 S103 L104 I105 V109 T110 W111S18-Q107 PolarHBondContact OG-NE2 2.72Å; Y22-Q107 VanDerWaalsContact OH-CD 3.31Å; Y22-Q107 PolarHBondContact OH-NE2 2.93Å; Y22-Q107 PolarHBondContact OH-OE1 2.83Å; S103-Q107 VanDerWaalsContact O-CG 3.3Å; S103-Q107 WeakPolarHBondContact O-CG 3.43Å; S103-Q107 PolarHBondContact O-N 3.28Å; S103-Q107 PolarHBondContact OG-NE2 2.77Å; L104-Q107 PolarHBondContact O-N 2.92Å; I105-Q107 PolarHBondContact O-N 2.93Å; Q107-V109 PolarHBondContact O-N 3.37Å; Q107-T110 PolarHBondContact O-N 3.12Å; Q107-T110 PolarHBondContact O-OG1 2.81Å; Q107-W111 HydrophobicContact CB-CD2 4.49Å; Q107-W111 HydrophobicContact CB-CZ2 4.22Å; Q107-W111 HydrophobicContact CG-CZ2 4.21Å; Q107-W111 WeakPolarHBondContact O-CB 3.43Å; Q107-W111 VanDerWaalsContact O-CG 3.26Å; Q107-W111 PolarHBondContact O-N 2.85Å
108A93.8Very high91.6Very high0 Ų023.7 Ų23.70%014%0.135CC..Hα-helixtrans-58.8-36.2-179.100000112.4L55 L104 I105 W112 M316L55-A108 HydrophobicContact CD1-CB 3.45Å; L55-A108 VanDerWaalsContact CD1-CB 3.45Å; L104-A108 VanDerWaalsContact O-CB 3.29Å; L104-A108 WeakPolarHBondContact O-CB 3.12Å; L104-A108 PolarHBondContact O-N 2.77Å; I105-A108 PolarHBondContact O-N 3.06Å; A108-W112 VanDerWaalsContact O-CE3 3.23Å; A108-M316 HydrophobicContact CB-CB 4.22Å; A108-M316 HydrophobicContact CB-CE 4.21Å; A108-M316 HydrophobicContact CB-CG 4.21Å
109V92.3Very high91Very high0 Ų020.8 Ų20.80%012%0.117CC..Hα-helixtrans-74.7-48.2176174.10000110.9L55 W61 V64 L70 I105 V106 Q107 W111 W112 S113L55-V109 HydrophobicContact CD1-CG2 4.09Å; L55-V109 HydrophobicContact CD2-CG2 3.84Å; W61-V109 HydrophobicContact CZ3-CG2 4.17Å; V64-V109 HydrophobicContact CG1-CB 4.48Å; V64-V109 HydrophobicContact CG1-CG2 3.51Å; L70-V109 HydrophobicContact CD1-CG1 4.31Å; I105-V109 HydrophobicContact CG2-CG2 4.49Å; I105-V109 WeakPolarHBondContact O-CG2 3.41Å; I105-V109 PolarHBondContact O-N 3.19Å; V106-V109 PolarHBondContact O-N 2.94Å; Q107-V109 PolarHBondContact O-N 3.37Å; V109-W111 PolarHBondContact O-N 2.86Å; V109-W112 PolarHBondContact O-N 2.87Å; V109-S113 WeakPolarHBondContact O-CB 3.45Å; V109-S113 PolarHBondContact O-N 2.92Å; V109-S113 PolarHBondContact O-OG 3Å
110T90.3Very high90.5Very high7 Ų721.1 Ų21.14%0.04312%0.118CC..Hα-helixtrans-75.8-22.6-171.658.30000114L70 V106 Q107 S113 R122L70-T110 HydrophobicContact CD1-CG2 4.38Å; L70-T110 HydrophobicContact CD2-CG2 4.27Å; V106-T110 HydrophobicContact CG1-CG2 4.09Å; V106-T110 VanDerWaalsContact O-CB 3.27Å; V106-T110 WeakPolarHBondContact O-CB 3.13Å; V106-T110 WeakPolarHBondContact O-CG2 3.41Å; V106-T110 PolarHBondContact O-N 3.11Å; V106-T110 PolarHBondContact O-OG1 2.84Å; Q107-T110 PolarHBondContact O-N 3.12Å; Q107-T110 PolarHBondContact O-OG1 2.81Å; T110-S113 VanDerWaalsContact O-O 3.14Å; T110-R122 WeakPolarHBondContact O-CD 3.39Å; T110-R122 PolarHBondContact O-NH1 3.08Å
111W90.1Very high90Very high5 Ų521.5 Ų21.52%0.01912%0.121CC..Hα-helixtrans-78.1-25.2174-68.11000112.7Q107 V109 R119 I123 F126 F202 L302 L305 I306 M316Q107-W111 HydrophobicContact CB-CD2 4.49Å; Q107-W111 HydrophobicContact CB-CZ2 4.22Å; Q107-W111 HydrophobicContact CG-CZ2 4.21Å; Q107-W111 WeakPolarHBondContact O-CB 3.43Å; Q107-W111 VanDerWaalsContact O-CG 3.26Å; Q107-W111 PolarHBondContact O-N 2.85Å; V109-W111 PolarHBondContact O-N 2.86Å; W111-R119 WeakPolarHBondContact O-CD 3.24Å; W111-R119 WeakPolarHBondContact O-CG 3.33Å; W111-I123 HydrophobicContact CG-CG1 4.35Å; W111-F126 AromaticContact CH2-CD1 3.91Å; W111-F126 HydrophobicContact CH2-CD1 3.91Å; W111-F126 HydrophobicContact CH2-CE1 4.14Å; W111-F126 HydrophobicContact CH2-CG 4.14Å; W111-F126 HydrophobicContact CZ2-CB 3.86Å; W111-F126 AromaticContact CZ2-CD1 3.87Å; W111-F126 HydrophobicContact CZ2-CD1 3.87Å; W111-F126 HydrophobicContact CZ2-CD2 4.02Å; W111-F126 HydrophobicContact CZ2-CE1 4.44Å; W111-F126 AromaticContact CZ2-CG 3.63Å; W111-F126 HydrophobicContact CZ2-CG 3.63Å; W111-F202 AromaticContact CH2-CZ 3.9Å; W111-F202 HydrophobicContact CH2-CZ 3.9Å; W111-F202 HydrophobicContact CZ3-CE1 4.13Å; W111-F202 AromaticContact CZ3-CZ 3.77Å; W111-F202 HydrophobicContact CZ3-CZ 3.77Å; W111-L302 HydrophobicContact CD2-CD2 4.32Å; W111-L302 HydrophobicContact CE3-CD2 3.77Å; W111-L302 HydrophobicContact CH2-CD2 4.02Å; W111-L302 HydrophobicContact CZ3-CD2 3.59Å; W111-L305 HydrophobicContact CZ3-CD2 4.43Å; W111-I306 HydrophobicContact CB-CD1 4.31Å; W111-M316 HydrophobicContact CE3-CE 3.78Å; W111-M316 HydrophobicContact CH2-CE 4.46Å; W111-M316 HydrophobicContact CZ3-CE 3.64Å
112W88.5Confident89.7Confident39 Ų3920.7 Ų20.715%0.14811%0.114CC..Hα-helixtrans-100.2-12.2177.6-85.7-101.4000114.4A108 V109 L305 I306 P312 M316A108-W112 VanDerWaalsContact O-CE3 3.23Å; V109-W112 PolarHBondContact O-N 2.87Å; W112-L305 HydrophobicContact CH2-CD2 3.82Å; W112-L305 HydrophobicContact CH2-CG 3.79Å; W112-L305 HydrophobicContact CZ2-CG 4.27Å; W112-L305 WeakPolarHBondContact CZ2-O 2.91Å; W112-I306 HydrophobicContact CD2-CG1 4.44Å; W112-I306 HydrophobicContact CE3-CG1 4.4Å; W112-I306 HydrophobicContact CH2-CG1 4.02Å; W112-I306 VanDerWaalsContact CZ2-CA 3.48Å; W112-I306 HydrophobicContact CZ2-CB 4.3Å; W112-I306 HydrophobicContact CZ2-CG1 4.05Å; W112-I306 HydrophobicContact CZ3-CG1 4.18Å; W112-I306 PolarHBondContact NE1-O 2.99Å; W112-I306 VanDerWaalsContact NE1-O 3.16Å; W112-P312 HydrophobicContact CB-CB 4.16Å; W112-P312 HydrophobicContact CB-CG 3.63Å; W112-P312 HydrophobicContact CD2-CB 3.67Å; W112-P312 HydrophobicContact CD2-CG 3.92Å; W112-P312 HydrophobicContact CE3-CB 3.95Å; W112-P312 HydrophobicContact CG-CB 3.8Å; W112-P312 HydrophobicContact CG-CG 3.47Å; W112-P312 VanDerWaalsContact CG-CG 3.47Å; W112-M316 HydrophobicContact CZ3-CE 4.25Å
113S84.7Confident89.3Confident13 Ų1320.7 Ų20.79%0.09111%0.113CC..SBendtrans-112.6153.1-179-62.50000112.8V109 T110 R119 R122V109-S113 WeakPolarHBondContact O-CB 3.45Å; V109-S113 PolarHBondContact O-N 2.92Å; V109-S113 PolarHBondContact O-OG 3Å; T110-S113 VanDerWaalsContact O-O 3.14Å; S113-R119 WeakPolarHBondContact O-CG 3.3Å; S113-R122 PolarHBondContact O-NH1 3.47Å; S113-R122 VanDerWaalsContact O-NH1 3.16Å
114G81.6Confident89.1Confident38 Ų3821.6 Ų21.639%0.39212%0.116SC..SBendtrans93.5-178.1177.800000114.5R119G114-R119 PolarHBondContact O-NE 2.88Å
115S81.6Confident89Confident53 Ų5321.5 Ų21.537%0.37112%0.116SC..  trans-64.7157.3-177.967.80000111.9L117 Q118 R119S115-L117 PolarHBondContact O-N 3.15Å; S115-Q118 PolarHBondContact O-N 3.11Å; S115-Q118 WeakPolarHBondContact OG-CB 3.34Å; S115-Q118 VanDerWaalsContact OG-CG 3.27Å; S115-Q118 WeakPolarHBondContact OG-CG 3.29Å; S115-Q118 PolarHBondContact OG-N 3Å; S115-Q118 PolarHBondContact OG-OE1 3.02Å; S115-R119 PolarHBondContact O-N 3.28Å
116H80.1Confident88.9Confident52 Ų5221.3 Ų21.324%0.24111%0.114CC..Hα-helixtrans-52.3-41.2174.2-75.3-91.5000112.3R119 Y120 L375 L376 F386H116-R119 PolarHBondContact CE1-NH2 2.84Å; H116-R119 PolarHBondContact ND1-NH2 2.9Å; H116-R119 VanDerWaalsContact ND1-NH2 3.16Å; H116-R119 PolarHBondContact NE2-NH2 3.29Å; H116-Y120 WeakPolarHBondContact O-CB 2.93Å; H116-Y120 PolarHBondContact O-N 2.98Å; H116-Y120 VanDerWaalsContact O-N 3.13Å; H116-L375 PolarHBondContact CE1-O 3.03Å; H116-L376 HydrophobicContact CB-CD2 3.75Å; H116-L376 WeakPolarHBondContact ND1-CD2 3.47Å; H116-L376 WeakPolarHBondContact O-CD2 3.42Å; H116-F386 HydrophobicContact CB-CE2 4.45Å; H116-F386 HydrophobicContact CB-CZ 3.95Å
117L81.6Confident89Confident41 Ų4120.9 Ų20.922%0.21511%0.112CC..Hα-helixtrans-69.3-42.6179.5-177.963.1000112.1S115 R119 Y120 L121 L385 F386S115-L117 PolarHBondContact O-N 3.15Å; L117-R119 PolarHBondContact O-N 2.87Å; L117-Y120 WeakPolarHBondContact O-CB 3.5Å; L117-Y120 PolarHBondContact O-N 2.88Å; L117-L121 HydrophobicContact CD1-CD1 4.49Å; L117-L121 HydrophobicContact CD1-CG 4.4Å; L117-L121 HydrophobicContact CG-CD1 4.19Å; L117-L121 WeakPolarHBondContact O-CG 3.42Å; L117-L121 PolarHBondContact O-N 2.76Å; L117-L385 HydrophobicContact CD2-CB 4.33Å; L117-F386 HydrophobicContact CB-CE1 4.37Å; L117-F386 HydrophobicContact CB-CE2 4.48Å; L117-F386 HydrophobicContact CB-CZ 4Å; L117-F386 HydrophobicContact CD1-CD1 3.95Å; L117-F386 HydrophobicContact CD1-CE1 3.84Å; L117-F386 HydrophobicContact CD1-CG 4.41Å; L117-F386 HydrophobicContact CD1-CZ 4.21Å
118Q85.4Confident89.1Confident71 Ų7120.3 Ų20.333%0.33211%0.109SC..Hα-helixtrans-61.5-45.1177.4-76.6165.2-37.800111.7S115 Y120 L121 R122S115-Q118 PolarHBondContact O-N 3.11Å; S115-Q118 WeakPolarHBondContact OG-CB 3.34Å; S115-Q118 VanDerWaalsContact OG-CG 3.27Å; S115-Q118 WeakPolarHBondContact OG-CG 3.29Å; S115-Q118 PolarHBondContact OG-N 3Å; S115-Q118 PolarHBondContact OG-OE1 3.02Å; Q118-Y120 VanDerWaalsContact C-N 3.32Å; Q118-Y120 PolarHBondContact O-N 2.97Å; Q118-L121 PolarHBondContact O-N 3.04Å; Q118-R122 WeakPolarHBondContact O-CB 3.24Å; Q118-R122 WeakPolarHBondContact O-CD 3.3Å; Q118-R122 VanDerWaalsContact O-CG 3.24Å; Q118-R122 WeakPolarHBondContact O-CG 3.5Å; Q118-R122 PolarHBondContact O-N 3.19Å
119R86.4Confident89.3Confident47 Ų4720.3 Ų20.318%0.17711%0.109CC..Hα-helixtrans-59.5-44.8176.6-70-176.1-71.9167.6-1.4111.4W111 S113 G114 S115 H116 L117 L121 R122 I123W111-R119 WeakPolarHBondContact O-CD 3.24Å; W111-R119 WeakPolarHBondContact O-CG 3.33Å; S113-R119 WeakPolarHBondContact O-CG 3.3Å; G114-R119 PolarHBondContact O-NE 2.88Å; S115-R119 PolarHBondContact O-N 3.28Å; H116-R119 PolarHBondContact CE1-NH2 2.84Å; H116-R119 PolarHBondContact ND1-NH2 2.9Å; H116-R119 VanDerWaalsContact ND1-NH2 3.16Å; H116-R119 PolarHBondContact NE2-NH2 3.29Å; L117-R119 PolarHBondContact O-N 2.87Å; R119-L121 PolarHBondContact O-N 2.97Å; R119-R122 PolarHBondContact O-N 2.85Å; R119-I123 WeakPolarHBondContact O-CB 3.46Å; R119-I123 WeakPolarHBondContact O-CD1 3.36Å; R119-I123 WeakPolarHBondContact O-CG1 3.5Å; R119-I123 PolarHBondContact O-N 2.85Å
120Y86.4Confident89.6Confident6 Ų620.9 Ų20.92%0.02411%0.111CC..Hα-helixtrans-59-46.7176.2-176.2-100.9000113H116 L117 Q118 I123 W124 L376 F386 S389H116-Y120 WeakPolarHBondContact O-CB 2.93Å; H116-Y120 PolarHBondContact O-N 2.98Å; H116-Y120 VanDerWaalsContact O-N 3.13Å; L117-Y120 WeakPolarHBondContact O-CB 3.5Å; L117-Y120 PolarHBondContact O-N 2.88Å; Q118-Y120 VanDerWaalsContact C-N 3.32Å; Q118-Y120 PolarHBondContact O-N 2.97Å; Y120-I123 PolarHBondContact O-N 2.88Å; Y120-W124 AromaticContact CD2-CD1 3.72Å; Y120-W124 AromaticContact CD2-NE1 3.94Å; Y120-W124 AromaticContact CE1-CD1 3.66Å; Y120-W124 AromaticContact CE2-CD1 3.35Å; Y120-W124 AromaticContact CE2-NE1 3.16Å; Y120-W124 AromaticContact CZ-CD1 3.3Å; Y120-W124 AromaticContact CZ-NE1 3.2Å; Y120-W124 WeakPolarHBondContact O-CB 3.15Å; Y120-W124 PolarHBondContact O-N 3.21Å; Y120-W124 PolarHBondContact OH-NE1 3.22Å; Y120-L376 HydrophobicContact CD2-CD1 3.44Å; Y120-L376 VanDerWaalsContact CD2-CD1 3.44Å; Y120-L376 HydrophobicContact CE2-CD1 4.37Å; Y120-L376 HydrophobicContact CG-CD1 4.06Å; Y120-F386 HydrophobicContact CD1-CD1 4.05Å; Y120-F386 HydrophobicContact CD1-CE1 4.1Å; Y120-F386 HydrophobicContact CD2-CE1 4.32Å; Y120-F386 HydrophobicContact CE1-CD1 4.43Å; Y120-F386 HydrophobicContact CG-CD1 4.11Å; Y120-F386 AromaticContact CG-CE1 3.79Å; Y120-F386 HydrophobicContact CG-CE1 3.79Å; Y120-S389 WeakPolarHBondContact CE1-OG 3.42Å
121L89.1Confident90Very high9 Ų920.9 Ų20.95%0.04711%0.111CC..Hα-helixtrans-63.8-40.8178.6-67.9172.9000112L4 E7 I8 E11 L117 Q118 R119 G125 M393L4-L121 HydrophobicContact CD1-CD1 4.44Å; L4-L121 HydrophobicContact CD1-CD2 4.38Å; E7-L121 HydrophobicContact CB-CD1 4.1Å; I8-L121 HydrophobicContact CG1-CD2 4.17Å; E11-L121 HydrophobicContact CG-CB 4.46Å; L117-L121 HydrophobicContact CD1-CD1 4.49Å; L117-L121 HydrophobicContact CD1-CG 4.4Å; L117-L121 HydrophobicContact CG-CD1 4.19Å; L117-L121 WeakPolarHBondContact O-CG 3.42Å; L117-L121 PolarHBondContact O-N 2.76Å; Q118-L121 PolarHBondContact O-N 3.04Å; R119-L121 PolarHBondContact O-N 2.97Å; L121-G125 WeakPolarHBondContact O-CA 3.34Å; L121-G125 PolarHBondContact O-N 2.93Å; L121-M393 HydrophobicContact CD2-CE 3.69Å
122R91.1Very high90.4Very high9 Ų921.7 Ų21.73%0.03412%0.117CC..Hα-helixtrans-65.3-43.4177.4-70.5163.7178.5176.31112.4E11 T110 S113 Q118 R119 G125 F126 D171E11-R122 HydrophobicContact CG-CG 4.41Å; E11-R122 WeakPolarHBondContact OE2-CG 3.48Å; T110-R122 WeakPolarHBondContact O-CD 3.39Å; T110-R122 PolarHBondContact O-NH1 3.08Å; S113-R122 PolarHBondContact O-NH1 3.47Å; S113-R122 VanDerWaalsContact O-NH1 3.16Å; Q118-R122 WeakPolarHBondContact O-CB 3.24Å; Q118-R122 WeakPolarHBondContact O-CD 3.3Å; Q118-R122 VanDerWaalsContact O-CG 3.24Å; Q118-R122 WeakPolarHBondContact O-CG 3.5Å; Q118-R122 PolarHBondContact O-N 3.19Å; R119-R122 PolarHBondContact O-N 2.85Å; R122-G125 PolarHBondContact O-N 3.28Å; R122-F126 PolarHBondContact O-N 3.18Å; R122-D171 VanDerWaalsContact NH2-CG 3.31Å; R122-D171 IonicContact NH2-OD1 3.06Å; R122-D171 PolarHBondContact NH2-OD1 2.93Å; R122-D171 IonicContact NH2-OD2 2.66Å; R122-D171 PolarHBondContact NH2-OD2 3.21Å; R122-D171 VanDerWaalsContact NH2-OD2 3.16Å
123I90.9Very high90.9Very high3 Ų319.8 Ų19.82%0.01511%0.109CC..Hα-helixtrans-64.4-51.2178.1-69.5161.7000110.6W111 R119 Y120 G125 F126 I127 L302 I306 L372W111-I123 HydrophobicContact CG-CG1 4.35Å; R119-I123 WeakPolarHBondContact O-CB 3.46Å; R119-I123 WeakPolarHBondContact O-CD1 3.36Å; R119-I123 WeakPolarHBondContact O-CG1 3.5Å; R119-I123 PolarHBondContact O-N 2.85Å; Y120-I123 PolarHBondContact O-N 2.88Å; I123-G125 VanDerWaalsContact C-N 3.29Å; I123-G125 PolarHBondContact O-N 3.34Å; I123-F126 WeakPolarHBondContact O-CB 3.46Å; I123-F126 PolarHBondContact O-N 3.48Å; I123-F126 VanDerWaalsContact O-N 3.14Å; I123-I127 HydrophobicContact CG2-CD1 4.3Å; I123-I127 PolarHBondContact O-N 2.76Å; I123-I127 VanDerWaalsContact O-N 3.09Å; I123-L302 HydrophobicContact CB-CD2 4.43Å; I123-L302 HydrophobicContact CG1-CD2 4.06Å; I123-L302 HydrophobicContact CG2-CB 4.31Å; I123-L302 HydrophobicContact CG2-CD1 4.15Å; I123-L302 HydrophobicContact CG2-CD2 3.77Å; I123-L302 HydrophobicContact CG2-CG 4.29Å; I123-I306 HydrophobicContact CD1-CD1 3.27Å; I123-I306 HydrophobicContact CG1-CD1 4Å; I123-L372 HydrophobicContact CD1-CD1 4.28Å; I123-L372 HydrophobicContact CG2-CD2 4.47Å
124W92.6Very high91.5Very high22 Ų2219.2 Ų19.28%0.08311%0.105CC..Hα-helixtrans-66.9-32.6177.7-87.8104.1000112.2Y120 F126 I127 L128 L249 P299 M393Y120-W124 AromaticContact CD2-CD1 3.72Å; Y120-W124 AromaticContact CD2-NE1 3.94Å; Y120-W124 AromaticContact CE1-CD1 3.66Å; Y120-W124 AromaticContact CE2-CD1 3.35Å; Y120-W124 AromaticContact CE2-NE1 3.16Å; Y120-W124 AromaticContact CZ-CD1 3.3Å; Y120-W124 AromaticContact CZ-NE1 3.2Å; Y120-W124 WeakPolarHBondContact O-CB 3.15Å; Y120-W124 PolarHBondContact O-N 3.21Å; Y120-W124 PolarHBondContact OH-NE1 3.22Å; W124-F126 VanDerWaalsContact C-N 3.32Å; W124-F126 PolarHBondContact O-N 3.25Å; W124-I127 HydrophobicContact CD2-CD1 4.44Å; W124-I127 HydrophobicContact CE3-CB 4.35Å; W124-I127 HydrophobicContact CE3-CD1 4.27Å; W124-I127 HydrophobicContact CE3-CG2 4.25Å; W124-I127 HydrophobicContact CZ3-CG2 4.23Å; W124-I127 PolarHBondContact O-N 3.34Å; W124-L128 VanDerWaalsContact O-CB 3.3Å; W124-L128 WeakPolarHBondContact O-CB 3.43Å; W124-L128 VanDerWaalsContact O-CG 3.26Å; W124-L128 WeakPolarHBondContact O-CG 3.49Å; W124-L128 PolarHBondContact O-N 3.26Å; W124-L249 HydrophobicContact CZ3-CD2 4.49Å; W124-P299 HydrophobicContact CH2-CG 4.18Å; W124-P299 HydrophobicContact CZ2-CG 4.18Å; W124-M393 HydrophobicContact CB-CE 3.68Å; W124-M393 HydrophobicContact CB-CG 4.41Å; W124-M393 HydrophobicContact CB-SD 4.3Å
125G95.2Very high92.3Very high0 Ų017.7 Ų17.70%09%0.089CC..Hα-helixtrans-59.6-41.3170.200000112.1E11 S12 L121 R122 I123 G129E11-G125 CarbonylContact O-C 3.53Å; S12-G125 WeakPolarHBondContact CA-O 3.34Å; L121-G125 WeakPolarHBondContact O-CA 3.34Å; L121-G125 PolarHBondContact O-N 2.93Å; R122-G125 PolarHBondContact O-N 3.28Å; I123-G125 VanDerWaalsContact C-N 3.29Å; I123-G125 PolarHBondContact O-N 3.34Å; G125-G129 WeakPolarHBondContact O-CA 3.2Å; G125-G129 PolarHBondContact O-N 3.02Å
126F96.4Very high93.1Very high6 Ų617.5 Ų17.53%0.0268%0.083CC..Hα-helixtrans-63.6-43.6173.8-174.6-101.9000112.8W19 Y22 W111 R122 I123 W124 G129 Q130 W298W19-F126 AromaticContact CD1-CE2 3.89Å; W19-F126 HydrophobicContact CD2-CZ 4.21Å; W19-F126 AromaticContact CE2-CE1 3.69Å; W19-F126 AromaticContact CE2-CZ 3.52Å; W19-F126 HydrophobicContact CG-CE2 4.49Å; W19-F126 AromaticContact CZ2-CE1 3.64Å; W19-F126 HydrophobicContact CZ2-CE1 3.64Å; W19-F126 AromaticContact CZ2-CZ 3.81Å; W19-F126 HydrophobicContact CZ2-CZ 3.81Å; W19-F126 AromaticContact NE1-CD1 3.87Å; W19-F126 AromaticContact NE1-CD2 3.95Å; W19-F126 AromaticContact NE1-CE1 3.53Å; W19-F126 AromaticContact NE1-CE2 3.62Å; W19-F126 AromaticContact NE1-CZ 3.39Å; W19-F126 PolarHBondContact NE1-O 3Å; Y22-F126 HydrophobicContact CE2-CE2 4.18Å; Y22-F126 HydrophobicContact CE2-CZ 4.01Å; W111-F126 AromaticContact CH2-CD1 3.91Å; W111-F126 HydrophobicContact CH2-CD1 3.91Å; W111-F126 HydrophobicContact CH2-CE1 4.14Å; W111-F126 HydrophobicContact CH2-CG 4.14Å; W111-F126 HydrophobicContact CZ2-CB 3.86Å; W111-F126 AromaticContact CZ2-CD1 3.87Å; W111-F126 HydrophobicContact CZ2-CD1 3.87Å; W111-F126 HydrophobicContact CZ2-CD2 4.02Å; W111-F126 HydrophobicContact CZ2-CE1 4.44Å; W111-F126 AromaticContact CZ2-CG 3.63Å; W111-F126 HydrophobicContact CZ2-CG 3.63Å; R122-F126 PolarHBondContact O-N 3.18Å; I123-F126 WeakPolarHBondContact O-CB 3.46Å; I123-F126 PolarHBondContact O-N 3.48Å; I123-F126 VanDerWaalsContact O-N 3.14Å; W124-F126 VanDerWaalsContact C-N 3.32Å; W124-F126 PolarHBondContact O-N 3.25Å; F126-G129 PolarHBondContact O-N 3.46Å; F126-Q130 PolarHBondContact O-N 3.27Å; F126-W298 HydrophobicContact CD1-CZ3 4.15Å; F126-W298 HydrophobicContact CE1-CH2 4.08Å; F126-W298 AromaticContact CE1-CZ3 3.79Å; F126-W298 HydrophobicContact CE1-CZ3 3.79Å
127I96.6Very high93.9Very high6 Ų615 Ų153%0.0317%0.072CC..Hα-helixtrans-63.4-48.6176.2-65.2170.6000111I123 W124 G129 Q130 I131 L249 W298 L302I123-I127 HydrophobicContact CG2-CD1 4.3Å; I123-I127 PolarHBondContact O-N 2.76Å; I123-I127 VanDerWaalsContact O-N 3.09Å; W124-I127 HydrophobicContact CD2-CD1 4.44Å; W124-I127 HydrophobicContact CE3-CB 4.35Å; W124-I127 HydrophobicContact CE3-CD1 4.27Å; W124-I127 HydrophobicContact CE3-CG2 4.25Å; W124-I127 HydrophobicContact CZ3-CG2 4.23Å; W124-I127 PolarHBondContact O-N 3.34Å; I127-G129 VanDerWaalsContact C-N 3.25Å; I127-G129 PolarHBondContact O-N 2.68Å; I127-Q130 WeakPolarHBondContact O-CB 3.32Å; I127-Q130 PolarHBondContact O-N 3.03Å; I127-I131 PolarHBondContact O-N 3.04Å; I127-L249 HydrophobicContact CG2-CD1 3.78Å; I127-L249 HydrophobicContact CG2-CD2 3.56Å; I127-L249 HydrophobicContact CG2-CG 4.34Å; I127-W298 HydrophobicContact CD1-CB 4.23Å; I127-W298 HydrophobicContact CG1-CB 4.49Å; I127-W298 HydrophobicContact CG1-CE3 4.09Å; I127-L302 HydrophobicContact CD1-CD1 4.2Å; I127-L302 HydrophobicContact CG1-CD1 4.26Å
128L97.5Very high94.7Very high0 Ų013.1 Ų13.10%06%0.061CC..Hα-helixtrans-66-30.7178.1-71.6166.8000111.8I8 W124 Q130 I131 V132 M393 F396 L397I8-L128 HydrophobicContact CG2-CD1 4.36Å; W124-L128 VanDerWaalsContact O-CB 3.3Å; W124-L128 WeakPolarHBondContact O-CB 3.43Å; W124-L128 VanDerWaalsContact O-CG 3.26Å; W124-L128 WeakPolarHBondContact O-CG 3.49Å; W124-L128 PolarHBondContact O-N 3.26Å; L128-Q130 VanDerWaalsContact C-N 3.25Å; L128-Q130 PolarHBondContact O-N 3.38Å; L128-I131 CarbonylContact O-C 3.59Å; L128-I131 PolarHBondContact O-N 2.74Å; L128-V132 WeakPolarHBondContact O-CG2 3.21Å; L128-V132 PolarHBondContact O-N 3.17Å; L128-M393 HydrophobicContact CD1-CB 4.42Å; L128-M393 HydrophobicContact CD1-CE 4.25Å; L128-M393 HydrophobicContact CD1-CG 4.38Å; L128-M393 HydrophobicContact CD1-SD 3.22Å; L128-M393 WeakPolarHBondContact CD1-SD 3.45Å; L128-F396 HydrophobicContact CD1-CD1 4.02Å; L128-F396 HydrophobicContact CD2-CD1 4.31Å; L128-L397 HydrophobicContact CD2-CB 3.95Å; L128-L397 HydrophobicContact CD2-CD1 4.1Å
129G97.9Very high95.3Very high0 Ų014.7 Ų14.70%06%0.064CC..Hα-helixtrans-57.5-36.2172.400000113S12 G125 F126 I127 V132 L133S12-G129 WeakPolarHBondContact O-CA 3.23Å; G125-G129 WeakPolarHBondContact O-CA 3.2Å; G125-G129 PolarHBondContact O-N 3.02Å; F126-G129 PolarHBondContact O-N 3.46Å; I127-G129 VanDerWaalsContact C-N 3.25Å; I127-G129 PolarHBondContact O-N 2.68Å; G129-V132 PolarHBondContact O-N 2.83Å; G129-L133 PolarHBondContact O-N 3.29Å
130Q97.6Very high95.7Very high11 Ų1115.8 Ų15.85%0.0517%0.069CC..Hα-helixtrans-66.3-41.8172.5-178.759.4-4.300111.8W19 F126 I127 L128 V132 L133 V134 T209W19-Q130 HydrophobicContact CD2-CB 4.17Å; W19-Q130 HydrophobicContact CD2-CG 4.46Å; W19-Q130 HydrophobicContact CG-CB 4.3Å; W19-Q130 HydrophobicContact CZ2-CB 4.08Å; W19-Q130 HydrophobicContact CZ2-CG 4.27Å; F126-Q130 PolarHBondContact O-N 3.27Å; I127-Q130 WeakPolarHBondContact O-CB 3.32Å; I127-Q130 PolarHBondContact O-N 3.03Å; L128-Q130 VanDerWaalsContact C-N 3.25Å; L128-Q130 PolarHBondContact O-N 3.38Å; Q130-V132 VanDerWaalsContact C-N 3.32Å; Q130-V132 PolarHBondContact O-N 2.89Å; Q130-L133 WeakPolarHBondContact O-CB 3.49Å; Q130-L133 PolarHBondContact O-N 3.41Å; Q130-V134 WeakPolarHBondContact O-CG2 3.48Å; Q130-V134 PolarHBondContact O-N 2.84Å; Q130-T209 HydrophobicContact CG-CG2 4.09Å
131I98.5Very high96.2Very high7 Ų716.5 Ų16.54%0.0367%0.074CC..Hα-helixtrans-66-38.9176.9-54.8-59.2000110.6I127 L128 L133 V134 V135 L242 L245 L249 L397 L400I127-I131 PolarHBondContact O-N 3.04Å; L128-I131 CarbonylContact O-C 3.59Å; L128-I131 PolarHBondContact O-N 2.74Å; I131-L133 VanDerWaalsContact C-N 3.34Å; I131-V134 PolarHBondContact O-N 2.97Å; I131-V135 HydrophobicContact CG2-CG2 4.25Å; I131-V135 WeakPolarHBondContact O-CB 3.49Å; I131-V135 VanDerWaalsContact O-CG2 3.27Å; I131-V135 WeakPolarHBondContact O-CG2 3.45Å; I131-V135 PolarHBondContact O-N 2.78Å; I131-L242 HydrophobicContact CG2-CD1 4.3Å; I131-L245 HydrophobicContact CD1-CB 4.42Å; I131-L249 HydrophobicContact CD1-CD1 4.26Å; I131-L249 HydrophobicContact CG1-CD1 4.19Å; I131-L397 HydrophobicContact CB-CD1 4.34Å; I131-L397 HydrophobicContact CG1-CD1 3.86Å; I131-L397 HydrophobicContact CG2-CD1 4Å; I131-L400 HydrophobicContact CB-CD1 4.3Å; I131-L400 HydrophobicContact CG2-CB 4.07Å; I131-L400 HydrophobicContact CG2-CD1 4Å
132V98.5Very high96.5Very high22 Ų2216.1 Ų16.113%0.1337%0.072CC..Hα-helixtrans-60-44.4171.9172.40000110.5Y16 L128 G129 Q130 V135 L136 F396 L400Y16-V132 HydrophobicContact CD2-CG1 3.99Å; Y16-V132 HydrophobicContact CG-CG1 3.92Å; L128-V132 WeakPolarHBondContact O-CG2 3.21Å; L128-V132 PolarHBondContact O-N 3.17Å; G129-V132 PolarHBondContact O-N 2.83Å; Q130-V132 VanDerWaalsContact C-N 3.32Å; Q130-V132 PolarHBondContact O-N 2.89Å; V132-V135 PolarHBondContact O-N 2.87Å; V132-L136 HydrophobicContact CG1-CD1 3.83Å; V132-L136 HydrophobicContact CG1-CG 4.29Å; V132-L136 WeakPolarHBondContact O-CB 3.22Å; V132-L136 VanDerWaalsContact O-CG 3.3Å; V132-L136 WeakPolarHBondContact O-CG 3.23Å; V132-L136 PolarHBondContact O-N 2.92Å; V132-F396 HydrophobicContact CG2-CE1 4.47Å; V132-L400 HydrophobicContact CG2-CD1 3.66Å; V132-L400 HydrophobicContact CG2-CD2 4.06Å
133L98.3Very high96.7Very high0 Ų015.9 Ų15.90%07%0.071CC..Hα-helixtrans-56.1-55.3175.1175.258.9000110.7Y16 W19 G129 Q130 I131 V135 L136 R137 N144Y16-L133 HydrophobicContact CD2-CB 3.77Å; Y16-L133 HydrophobicContact CD2-CD1 4.29Å; Y16-L133 HydrophobicContact CE2-CB 3.97Å; Y16-L133 HydrophobicContact CE2-CD1 3.68Å; Y16-L133 HydrophobicContact CE2-CG 4.43Å; W19-L133 HydrophobicContact CB-CD2 3.87Å; G129-L133 PolarHBondContact O-N 3.29Å; Q130-L133 WeakPolarHBondContact O-CB 3.49Å; Q130-L133 PolarHBondContact O-N 3.41Å; I131-L133 VanDerWaalsContact C-N 3.34Å; L133-V135 VanDerWaalsContact C-N 3.34Å; L133-V135 PolarHBondContact O-N 2.94Å; L133-L136 PolarHBondContact O-N 3.22Å; L133-R137 HydrophobicContact CD1-CG 4.03Å; L133-R137 HydrophobicContact CG-CG 4.47Å; L133-R137 VanDerWaalsContact O-CG 3.26Å; L133-R137 WeakPolarHBondContact O-CG 3.39Å; L133-R137 PolarHBondContact O-N 3.37Å; L133-N144 HydrophobicContact CD1-CB 4.43Å; L133-N144 WeakPolarHBondContact CD1-ND2 3.36Å
134V98.2Very high96.9Very high1 Ų116.1 Ų16.11%0.0067%0.073CC..Hα-helixtrans-60.1-42.7-178.31740000111.8Q130 I131 R137 I138 V216 L242Q130-V134 WeakPolarHBondContact O-CG2 3.48Å; Q130-V134 PolarHBondContact O-N 2.84Å; I131-V134 PolarHBondContact O-N 2.97Å; V134-R137 PolarHBondContact O-N 3.17Å; V134-I138 WeakPolarHBondContact O-CG1 3.48Å; V134-I138 PolarHBondContact O-N 3.48Å; V134-V216 HydrophobicContact CG1-CG1 3.26Å; V134-L242 HydrophobicContact CG1-CD1 4.27Å
135V98.6Very high97Very high6 Ų615.1 Ų15.14%0.0367%0.069CC..Hα-helixtrans-66-40.8177.3169.90000111.7I131 V132 L133 R137 I138 W139 L242 L400 V403I131-V135 HydrophobicContact CG2-CG2 4.25Å; I131-V135 WeakPolarHBondContact O-CB 3.49Å; I131-V135 VanDerWaalsContact O-CG2 3.27Å; I131-V135 WeakPolarHBondContact O-CG2 3.45Å; I131-V135 PolarHBondContact O-N 2.78Å; V132-V135 PolarHBondContact O-N 2.87Å; L133-V135 VanDerWaalsContact C-N 3.34Å; L133-V135 PolarHBondContact O-N 2.94Å; V135-R137 VanDerWaalsContact C-N 3.35Å; V135-I138 WeakPolarHBondContact O-CB 3.23Å; V135-I138 PolarHBondContact O-N 3.05Å; V135-W139 VanDerWaalsContact O-CD1 3.31Å; V135-W139 PolarHBondContact O-N 3.28Å; V135-L242 HydrophobicContact CG2-CD1 4.21Å; V135-L242 HydrophobicContact CG2-CD2 4.16Å; V135-L400 HydrophobicContact CG2-CB 4.25Å; V135-L400 WeakPolarHBondContact CG2-O 3.15Å; V135-V403 HydrophobicContact CG1-CB 4.46Å; V135-V403 HydrophobicContact CG1-CG1 4Å
136L98Very high97Very high48 Ų4815.1 Ų15.125%0.2517%0.069SC..Hα-helixtrans-64.1-42.2174.5-73.7174.6000110.9Y16 V132 L133 I138 W139 Y140 P145Y16-L136 HydrophobicContact CD1-CD1 4.49Å; Y16-L136 HydrophobicContact CD2-CD1 4.27Å; Y16-L136 HydrophobicContact CE1-CD1 3.85Å; Y16-L136 HydrophobicContact CE2-CD1 3.64Å; Y16-L136 WeakPolarHBondContact OH-CD1 3.38Å; V132-L136 HydrophobicContact CG1-CD1 3.83Å; V132-L136 HydrophobicContact CG1-CG 4.29Å; V132-L136 WeakPolarHBondContact O-CB 3.22Å; V132-L136 VanDerWaalsContact O-CG 3.3Å; V132-L136 WeakPolarHBondContact O-CG 3.23Å; V132-L136 PolarHBondContact O-N 2.92Å; L133-L136 PolarHBondContact O-N 3.22Å; L136-I138 PolarHBondContact O-N 3.18Å; L136-W139 PolarHBondContact O-N 2.84Å; L136-Y140 VanDerWaalsContact O-CD2 3.31Å; L136-Y140 WeakPolarHBondContact O-CD2 3.4Å; L136-Y140 PolarHBondContact O-N 3.28Å; L136-P145 HydrophobicContact CB-CG 4.1Å; L136-P145 HydrophobicContact CD1-CG 4.46Å
137R97.6Very high96.9Very high1 Ų115.5 Ų15.50%0.0047%0.07CC..Hα-helixtrans-59.3-35.1174.9-66.1-179.583.3165.514.6112.3H23 L133 V134 V135 W139 Y140 T141 S142 G214 E215 G475 N476 N477H23-R137 PolarHBondContact ND1-NH1 3.45Å; L133-R137 HydrophobicContact CD1-CG 4.03Å; L133-R137 HydrophobicContact CG-CG 4.47Å; L133-R137 VanDerWaalsContact O-CG 3.26Å; L133-R137 WeakPolarHBondContact O-CG 3.39Å; L133-R137 PolarHBondContact O-N 3.37Å; V134-R137 PolarHBondContact O-N 3.17Å; V135-R137 VanDerWaalsContact C-N 3.35Å; R137-W139 VanDerWaalsContact C-N 3.35Å; R137-W139 PolarHBondContact O-N 3.31Å; R137-Y140 CarbonylContact O-C 3.36Å; R137-Y140 PolarHBondContact O-N 3.33Å; R137-T141 PolarHBondContact O-N 2.7Å; R137-S142 PolarHBondContact NE-O 3.15Å; R137-S142 PolarHBondContact NH2-O 3.48Å; R137-S142 PolarHBondContact O-N 3.36Å; R137-G214 PolarHBondContact NH1-O 2.72Å; R137-E215 HydrophobicContact CB-CG 4.12Å; R137-E215 VanDerWaalsContact CZ-CG 3.49Å; R137-E215 VanDerWaalsContact NE-CG 3.34Å; R137-G475 PolarHBondContact NH1-O 3.05Å; R137-G475 PolarHBondContact NH2-O 3.47Å; R137-N476 VanDerWaalsContact NH2-C 3.3Å; R137-N476 PolarHBondContact NH2-O 2.85Å; R137-N477 PolarHBondContact NH2-OD1 3.11Å
138I98Very high96.6Very high0 Ų016.5 Ų16.50%08%0.078CC..Hα-helixtrans-58.9-44.4170-70.6168.5000111.4V134 V135 L136 Y140 V216 L242 G404 L408 R411V134-I138 WeakPolarHBondContact O-CG1 3.48Å; V134-I138 PolarHBondContact O-N 3.48Å; V135-I138 WeakPolarHBondContact O-CB 3.23Å; V135-I138 PolarHBondContact O-N 3.05Å; L136-I138 PolarHBondContact O-N 3.18Å; I138-Y140 VanDerWaalsContact C-N 3.26Å; I138-Y140 PolarHBondContact O-N 3.47Å; I138-V216 HydrophobicContact CD1-CG1 3.95Å; I138-V216 HydrophobicContact CD1-CG2 4.11Å; I138-V216 HydrophobicContact CG1-CG1 4.26Å; I138-V216 HydrophobicContact CG1-CG2 3.68Å; I138-L242 HydrophobicContact CD1-CD2 3.83Å; I138-G404 WeakPolarHBondContact CG2-O 3.42Å; I138-L408 HydrophobicContact CD1-CD1 4.19Å; I138-L408 HydrophobicContact CD1-CG 4.35Å; I138-L408 HydrophobicContact CG1-CD2 4.42Å; I138-L408 HydrophobicContact CG1-CG 4.47Å; I138-L408 HydrophobicContact CG2-CD2 3.92Å; I138-L408 HydrophobicContact CG2-CG 3.69Å; I138-R411 VanDerWaalsContact O-CD 3.25Å; I138-R411 WeakPolarHBondContact O-CD 3.4Å; I138-R411 PolarHBondContact O-NH1 2.83Å
139W97.5Very high96.3Very high105 Ų10519.3 Ų19.340%0.3989%0.089SC..Hα-helixtrans-72.3-20.9-179.5-77.994000113.7V135 L136 R137 V403 L406 G407 L410V135-W139 VanDerWaalsContact O-CD1 3.31Å; V135-W139 PolarHBondContact O-N 3.28Å; L136-W139 PolarHBondContact O-N 2.84Å; R137-W139 VanDerWaalsContact C-N 3.35Å; R137-W139 PolarHBondContact O-N 3.31Å; W139-V403 HydrophobicContact CZ2-CG1 4.43Å; W139-V403 PolarHBondContact NE1-O 3.37Å; W139-V403 VanDerWaalsContact NE1-O 3.08Å; W139-L406 HydrophobicContact CH2-CG 4.49Å; W139-L406 HydrophobicContact CZ2-CD2 4.47Å; W139-L406 HydrophobicContact CZ2-CG 4.37Å; W139-G407 VanDerWaalsContact CZ2-CA 3.5Å; W139-L410 HydrophobicContact CH2-CD1 3.94Å; W139-L410 HydrophobicContact CZ3-CD1 4.43Å
140Y96.2Very high96Very high70 Ų7024.6 Ų24.628%0.27511%0.113SC..THydrogen-bonded Turntrans-110.526.6179.4-71.4-89.6000112.9L136 R137 I138 S142 L143 P145 Y149 S152L136-Y140 VanDerWaalsContact O-CD2 3.31Å; L136-Y140 WeakPolarHBondContact O-CD2 3.4Å; L136-Y140 PolarHBondContact O-N 3.28Å; R137-Y140 CarbonylContact O-C 3.36Å; R137-Y140 PolarHBondContact O-N 3.33Å; I138-Y140 VanDerWaalsContact C-N 3.26Å; I138-Y140 PolarHBondContact O-N 3.47Å; Y140-S142 PolarHBondContact O-N 3.47Å; Y140-L143 WeakPolarHBondContact CB-O 3.47Å; Y140-L143 PolarHBondContact O-N 3.14Å; Y140-L143 VanDerWaalsContact O-N 3.1Å; Y140-P145 HydrophobicContact CD1-CB 3.96Å; Y140-P145 HydrophobicContact CD2-CB 3.58Å; Y140-P145 HydrophobicContact CD2-CG 3.77Å; Y140-P145 HydrophobicContact CE1-CB 3.86Å; Y140-P145 HydrophobicContact CE2-CB 3.53Å; Y140-P145 HydrophobicContact CE2-CG 3.84Å; Y140-P145 HydrophobicContact CG-CB 3.79Å; Y140-P145 HydrophobicContact CG-CG 4.33Å; Y140-Y149 AromaticContact CD1-CD2 3.46Å; Y140-Y149 HydrophobicContact CD1-CD2 3.46Å; Y140-Y149 VanDerWaalsContact CD1-CD2 3.46Å; Y140-Y149 AromaticContact CD1-CE2 3.35Å; Y140-Y149 HydrophobicContact CD1-CE2 3.35Å; Y140-Y149 HydrophobicContact CD1-CG 4.46Å; Y140-Y149 AromaticContact CE1-CD2 3.64Å; Y140-Y149 HydrophobicContact CE1-CD2 3.64Å; Y140-Y149 AromaticContact CE1-CE2 3.97Å; Y140-Y149 HydrophobicContact CE1-CE2 3.97Å; Y140-Y149 HydrophobicContact CE1-CG 4.27Å; Y140-Y149 HydrophobicContact CG-CE2 4.34Å; Y140-S152 PolarHBondContact OH-OG 2.76Å
141T95.9Very high95.8Very high21 Ų2131.3 Ų31.313%0.12915%0.147CC..THydrogen-bonded Turntrans5060.2174.4-52.30000112.3R137 L143 R411 M481 W482 E485R137-T141 PolarHBondContact O-N 2.7Å; T141-L143 VanDerWaalsContact C-N 3.28Å; T141-L143 PolarHBondContact O-N 3.01Å; T141-R411 PolarHBondContact OG1-NE 2.7Å; T141-M481 HydrophobicContact CG2-CE 4.33Å; T141-M481 HydrophobicContact CG2-CG 4.13Å; T141-W482 VanDerWaalsContact CG2-CA 3.48Å; T141-W482 HydrophobicContact CG2-CB 4.01Å; T141-W482 HydrophobicContact CG2-CG 4.18Å; T141-W482 VanDerWaalsContact O-CD1 3.29Å; T141-E485 HydrophobicContact CG2-CB 4.49Å; T141-E485 PolarHBondContact OG1-OE2 3.22Å
142S95.7Very high95.6Very high0 Ų031.6 Ų31.60%015%0.149CC..THydrogen-bonded Turntrans78.5-19.4-177.7-163.30000116R137 Y140 E215 D478R137-S142 PolarHBondContact NE-O 3.15Å; R137-S142 PolarHBondContact NH2-O 3.48Å; R137-S142 PolarHBondContact O-N 3.36Å; Y140-S142 PolarHBondContact O-N 3.47Å; S142-E215 VanDerWaalsContact OG-CD 3.3Å; S142-E215 WeakPolarHBondContact OG-CG 3.48Å; S142-E215 PolarHBondContact OG-OE2 2.78Å; S142-D478 WeakPolarHBondContact OG-CB 3.43Å; S142-D478 PolarHBondContact OG-N 3.39Å
143L95.4Very high95.4Very high4 Ų430.6 Ų30.62%0.02114%0.143CC..SBendtrans-80.9146.1-175.7-57.9-176000113.2Y140 T141 P145 S148 L447 N477Y140-L143 WeakPolarHBondContact CB-O 3.47Å; Y140-L143 PolarHBondContact O-N 3.14Å; Y140-L143 VanDerWaalsContact O-N 3.1Å; T141-L143 VanDerWaalsContact C-N 3.28Å; T141-L143 PolarHBondContact O-N 3.01Å; L143-P145 WeakPolarHBondContact O-CD 3.24Å; L143-S148 WeakPolarHBondContact CB-OG 3.01Å; L143-L447 HydrophobicContact CD1-CD1 3.78Å; L143-L447 HydrophobicContact CD2-CD1 3.72Å; L143-L447 HydrophobicContact CG-CD1 4.33Å; L143-N477 HydrophobicContact CD2-CB 4.06Å
144N95.5Very high95.3Very high9 Ų935.5 Ų35.55%0.04817%0.165CC..  trans-74.8116.8166.9-174.8-26.9000109.2Y16 S20 L133 I146 W147 S148Y16-N144 PolarHBondContact OH-OD1 3.14Å; S20-N144 VanDerWaalsContact CB-ND2 3.31Å; S20-N144 WeakPolarHBondContact CB-ND2 3.49Å; S20-N144 PolarHBondContact OG-ND2 3.14Å; S20-N144 VanDerWaalsContact OG-ND2 3.08Å; L133-N144 HydrophobicContact CD1-CB 4.43Å; L133-N144 WeakPolarHBondContact CD1-ND2 3.36Å; N144-I146 PolarHBondContact O-N 3.39Å; N144-I146 PolarHBondContact OD1-N 3.38Å; N144-W147 PolarHBondContact O-N 3.12Å; N144-W147 VanDerWaalsContact O-N 3.13Å; N144-S148 WeakPolarHBondContact O-CB 3.18Å; N144-S148 PolarHBondContact O-N 2.97Å; N144-S148 PolarHBondContact O-OG 3.38Å
145P94.3Very high95.2Very high0 Ų039 Ų390%019%0.186CC..G310 helixtrans-65.6-23.3-173.524.9-34000114.3L136 Y140 L143 W147 Y149 S152 I156L136-P145 HydrophobicContact CB-CG 4.1Å; L136-P145 HydrophobicContact CD1-CG 4.46Å; Y140-P145 HydrophobicContact CD1-CB 3.96Å; Y140-P145 HydrophobicContact CD2-CB 3.58Å; Y140-P145 HydrophobicContact CD2-CG 3.77Å; Y140-P145 HydrophobicContact CE1-CB 3.86Å; Y140-P145 HydrophobicContact CE2-CB 3.53Å; Y140-P145 HydrophobicContact CE2-CG 3.84Å; Y140-P145 HydrophobicContact CG-CB 3.79Å; Y140-P145 HydrophobicContact CG-CG 4.33Å; L143-P145 WeakPolarHBondContact O-CD 3.24Å; P145-W147 PolarHBondContact O-N 2.94Å; P145-Y149 PolarHBondContact O-N 3.03Å; P145-S152 WeakPolarHBondContact O-CB 3.13Å; P145-I156 HydrophobicContact CG-CD1 4.25Å
146I94.9Very high95.1Very high0 Ų039.6 Ų39.60%019%0.189CC..G310 helixtrans-62.6-36.4176.8-63.1177.6000111.1Y16 I17 I81 N144 N153 I156Y16-I146 HydrophobicContact CD1-CD1 4.46Å; Y16-I146 HydrophobicContact CE1-CD1 3.59Å; Y16-I146 HydrophobicContact CE1-CG1 4.13Å; Y16-I146 WeakPolarHBondContact OH-CG1 3.23Å; I17-I146 HydrophobicContact CD1-CD1 3.61Å; I81-I146 HydrophobicContact CB-CG2 4.49Å; I81-I146 HydrophobicContact CG2-CG2 3.49Å; I81-I146 VanDerWaalsContact CG2-CG2 3.49Å; N144-I146 PolarHBondContact O-N 3.39Å; N144-I146 PolarHBondContact OD1-N 3.38Å; I146-N153 WeakPolarHBondContact O-CB 3.3Å; I146-N153 PolarHBondContact O-ND2 3.14Å; I146-I156 HydrophobicContact CD1-CD1 4.34Å; I146-I156 HydrophobicContact CD1-CG2 3.74Å; I146-I156 HydrophobicContact CG1-CB 4.23Å; I146-I156 HydrophobicContact CG1-CD1 3.45Å; I146-I156 VanDerWaalsContact CG1-CD1 3.45Å; I146-I156 HydrophobicContact CG1-CG1 4.42Å; I146-I156 HydrophobicContact CG1-CG2 3.84Å
147W93.3Very high94.9Very high14 Ų1439.2 Ų39.25%0.05319%0.187CC..G310 helixtrans-105.75.8-170.4-46.3129.2000113.2S20 L21 D24 I81 F84 L96 N144 P145S20-W147 PolarHBondContact O-NE1 3.25Å; L21-W147 HydrophobicContact CD2-CH2 4Å; L21-W147 HydrophobicContact CD2-CZ2 3.94Å; D24-W147 HydrophobicContact CB-CD2 4.16Å; D24-W147 HydrophobicContact CB-CG 4.17Å; D24-W147 HydrophobicContact CB-CZ2 4.24Å; I81-W147 HydrophobicContact CB-CH2 4.45Å; I81-W147 HydrophobicContact CG1-CH2 4.39Å; F84-W147 HydrophobicContact CB-CE3 4.14Å; F84-W147 HydrophobicContact CB-CZ3 4.33Å; F84-W147 WeakPolarHBondContact CE2-O 3.28Å; L96-W147 HydrophobicContact CD2-CH2 3.73Å; L96-W147 HydrophobicContact CD2-CZ2 4.16Å; L96-W147 HydrophobicContact CD2-CZ3 4.14Å; N144-W147 PolarHBondContact O-N 3.12Å; N144-W147 VanDerWaalsContact O-N 3.13Å; P145-W147 PolarHBondContact O-N 2.94Å
148S90.7Very high94.8Very high27 Ų2743.1 Ų43.119%0.18921%0.21CC..THydrogen-bonded Turntrans-123.1-31.5-174.1-49.50000112.6L143 N144L143-S148 WeakPolarHBondContact CB-OG 3.01Å; N144-S148 WeakPolarHBondContact O-CB 3.18Å; N144-S148 PolarHBondContact O-N 2.97Å; N144-S148 PolarHBondContact O-OG 3.38Å
149Y91.3Very high94.7Very high59 Ų5947.4 Ų47.423%0.23123%0.233CC..  trans-131124.9-174.2-61.8-80.6000111.8Y140 P145 M151 S152 N153 E448Y140-Y149 AromaticContact CD1-CD2 3.46Å; Y140-Y149 HydrophobicContact CD1-CD2 3.46Å; Y140-Y149 VanDerWaalsContact CD1-CD2 3.46Å; Y140-Y149 AromaticContact CD1-CE2 3.35Å; Y140-Y149 HydrophobicContact CD1-CE2 3.35Å; Y140-Y149 HydrophobicContact CD1-CG 4.46Å; Y140-Y149 AromaticContact CE1-CD2 3.64Å; Y140-Y149 HydrophobicContact CE1-CD2 3.64Å; Y140-Y149 AromaticContact CE1-CE2 3.97Å; Y140-Y149 HydrophobicContact CE1-CE2 3.97Å; Y140-Y149 HydrophobicContact CE1-CG 4.27Å; Y140-Y149 HydrophobicContact CG-CE2 4.34Å; P145-Y149 PolarHBondContact O-N 3.03Å; Y149-M151 VanDerWaalsContact C-N 3.33Å; Y149-M151 PolarHBondContact O-N 2.77Å; Y149-S152 PolarHBondContact O-N 2.52Å; Y149-N153 WeakPolarHBondContact O-CB 3.39Å; Y149-N153 PolarHBondContact O-N 3.41Å; Y149-E448 HydrophobicContact CE1-CG 4.43Å; Y149-E448 PolarHBondContact OH-OE1 3.15Å; Y149-E448 VanDerWaalsContact OH-OE1 3.12Å
150Q91.6Very high94.5Very high111 Ų11142.4 Ų42.452%0.51921%0.214SC..Hα-helixtrans-61.8-38.9-177.5-167.3-177.315.600113F84 K154F84-Q150 HydrophobicContact CE1-CB 4.18Å; Q150-K154 WeakPolarHBondContact O-CG 3.41Å; Q150-K154 PolarHBondContact O-N 3.16Å
151M93.4Very high94.4Very high153 Ų15340.9 Ų40.975%0.75422%0.216SC*.Hα-helixtrans-65.2-46.7177-178.4168.9-83.400110.9Y149 N153 K154 V155Y149-M151 VanDerWaalsContact C-N 3.33Å; Y149-M151 PolarHBondContact O-N 2.77Å; M151-N153 VanDerWaalsContact C-N 3.34Å; M151-N153 PolarHBondContact O-N 2.9Å; M151-K154 PolarHBondContact O-N 3.32Å; M151-V155 HydrophobicContact CG-CG2 4.47Å; M151-V155 WeakPolarHBondContact O-CG2 3.46Å; M151-V155 PolarHBondContact O-N 3.43Å
152S94.2Very high94.2Very high13 Ų1344.8 Ų44.89%0.09124%0.235CC..Hα-helixtrans-64-40.2178.7-50.70000111.8Y140 P145 Y149 V155 I156Y140-S152 PolarHBondContact OH-OG 2.76Å; P145-S152 WeakPolarHBondContact O-CB 3.13Å; Y149-S152 PolarHBondContact O-N 2.52Å; S152-V155 PolarHBondContact O-N 2.79Å; S152-I156 WeakPolarHBondContact O-CB 3.49Å; S152-I156 WeakPolarHBondContact O-CD1 3.41Å; S152-I156 VanDerWaalsContact O-CG1 3.24Å; S152-I156 WeakPolarHBondContact O-CG1 3.15Å; S152-I156 PolarHBondContact O-N 3.22Å
153N95.8Very high94Very high0 Ų044.8 Ų44.80%024%0.235CC..Hα-helixtrans-54.8-52.9171.5-175.5-81.7000111.6I81 F84 Q85 I146 Y149 M151 V155 I156 L157I81-N153 VanDerWaalsContact CG2-ND2 3.33Å; I81-N153 WeakPolarHBondContact CG2-ND2 3.41Å; I81-N153 PolarHBondContact O-ND2 2.91Å; F84-N153 VanDerWaalsContact CB-ND2 3.28Å; F84-N153 WeakPolarHBondContact CB-ND2 3.36Å; F84-N153 HydrophobicContact CD1-CB 3.96Å; Q85-N153 PolarHBondContact NE2-OD1 3.46Å; I146-N153 WeakPolarHBondContact O-CB 3.3Å; I146-N153 PolarHBondContact O-ND2 3.14Å; Y149-N153 WeakPolarHBondContact O-CB 3.39Å; Y149-N153 PolarHBondContact O-N 3.41Å; M151-N153 VanDerWaalsContact C-N 3.34Å; M151-N153 PolarHBondContact O-N 2.9Å; N153-V155 PolarHBondContact O-N 2.81Å; N153-I156 PolarHBondContact O-N 3.46Å; N153-L157 WeakPolarHBondContact O-CB 3.25Å; N153-L157 PolarHBondContact O-N 2.98Å
154K95.3Very high93.7Very high104 Ų10444.8 Ų44.845%0.45224%0.235SC..Hα-helixtrans-61.2-42.7179.6-72.9175.3-179.3175.90112.8Q150 M151 T158Q150-K154 WeakPolarHBondContact O-CG 3.41Å; Q150-K154 PolarHBondContact O-N 3.16Å; M151-K154 PolarHBondContact O-N 3.32Å; K154-T158 WeakPolarHBondContact O-CB 3.38Å; K154-T158 PolarHBondContact O-N 2.97Å; K154-T158 PolarHBondContact O-OG1 3.02Å
155V95.9Very high93.4Very high75 Ų7550 Ų5046%0.45526%0.262SS..Hα-helixtrans-63.6-49.9178.1169.90000110.6M151 S152 N153 L157 T158 L159M151-V155 HydrophobicContact CG-CG2 4.47Å; M151-V155 WeakPolarHBondContact O-CG2 3.46Å; M151-V155 PolarHBondContact O-N 3.43Å; S152-V155 PolarHBondContact O-N 2.79Å; N153-V155 PolarHBondContact O-N 2.81Å; V155-L157 PolarHBondContact O-N 3.32Å; V155-T158 PolarHBondContact O-N 3Å; V155-L159 HydrophobicContact CG1-CD1 3.92Å; V155-L159 HydrophobicContact CG1-CG 4.38Å; V155-L159 WeakPolarHBondContact O-CG 3.41Å; V155-L159 PolarHBondContact O-N 3.37Å
156I95.7Very high93.1Very high18 Ų1851.2 Ų51.29%0.09227%0.269CS..Hα-helixtrans-65.7-41.2-178.7-68.8165.8000110.8Y16 I17 P145 I146 S152 N153 T158 L159 T160Y16-I156 HydrophobicContact CE1-CD1 4.05Å; Y16-I156 HydrophobicContact CE1-CG2 3.97Å; I17-I156 HydrophobicContact CD1-CG2 3.52Å; P145-I156 HydrophobicContact CG-CD1 4.25Å; I146-I156 HydrophobicContact CD1-CD1 4.34Å; I146-I156 HydrophobicContact CD1-CG2 3.74Å; I146-I156 HydrophobicContact CG1-CB 4.23Å; I146-I156 HydrophobicContact CG1-CD1 3.45Å; I146-I156 VanDerWaalsContact CG1-CD1 3.45Å; I146-I156 HydrophobicContact CG1-CG1 4.42Å; I146-I156 HydrophobicContact CG1-CG2 3.84Å; S152-I156 WeakPolarHBondContact O-CB 3.49Å; S152-I156 WeakPolarHBondContact O-CD1 3.41Å; S152-I156 VanDerWaalsContact O-CG1 3.24Å; S152-I156 WeakPolarHBondContact O-CG1 3.15Å; S152-I156 PolarHBondContact O-N 3.22Å; N153-I156 PolarHBondContact O-N 3.46Å; I156-T158 VanDerWaalsContact C-N 3.33Å; I156-T158 PolarHBondContact O-N 3.4Å; I156-L159 PolarHBondContact O-N 3.11Å; I156-T160 VanDerWaalsContact O-CB 3.27Å; I156-T160 WeakPolarHBondContact O-CB 3.19Å; I156-T160 PolarHBondContact O-N 2.92Å; I156-T160 PolarHBondContact O-OG1 3.12Å
157L95Very high92.6Very high40 Ų4051.5 Ų51.521%0.20927%0.27CS..Hα-helixtrans-57.4-46.8173.7178.164.7000111V78 I81 A82 N153 V155 T160 A161V78-L157 HydrophobicContact CG1-CD1 3.81Å; V78-L157 VanDerWaalsContact O-CD1 3.27Å; V78-L157 WeakPolarHBondContact O-CD1 3.39Å; I81-L157 HydrophobicContact CB-CD1 4.11Å; I81-L157 HydrophobicContact CG2-CB 4.24Å; I81-L157 HydrophobicContact CG2-CD1 4.46Å; A82-L157 HydrophobicContact CB-CD2 4.44Å; N153-L157 WeakPolarHBondContact O-CB 3.25Å; N153-L157 PolarHBondContact O-N 2.98Å; V155-L157 PolarHBondContact O-N 3.32Å; L157-T160 PolarHBondContact O-N 3.41Å; L157-A161 VanDerWaalsContact O-CB 3.28Å; L157-A161 WeakPolarHBondContact O-CB 3.37Å; L157-A161 PolarHBondContact O-N 2.91Å
158T95.3Very high92.1Very high82 Ų8252.5 Ų52.550%0.50328%0.276SS..Hα-helixtrans-64-49.7179.2-56.30000111.9K154 V155 I156 T160 A161 I162K154-T158 WeakPolarHBondContact O-CB 3.38Å; K154-T158 PolarHBondContact O-N 2.97Å; K154-T158 PolarHBondContact O-OG1 3.02Å; V155-T158 PolarHBondContact O-N 3Å; I156-T158 VanDerWaalsContact C-N 3.33Å; I156-T158 PolarHBondContact O-N 3.4Å; T158-T160 VanDerWaalsContact C-N 3.28Å; T158-T160 PolarHBondContact O-N 2.88Å; T158-A161 PolarHBondContact O-N 3.06Å; T158-I162 HydrophobicContact CG2-CD1 4.3Å; T158-I162 WeakPolarHBondContact O-CG1 3.33Å; T158-I162 PolarHBondContact O-N 2.92Å
159L94.9Very high91.2Very high90 Ų9054.1 Ų54.147%0.47130%0.297SS..Hα-helixtrans-60.4-40.2178.8-69.6175.7000111.6L13 V155 I156 I162 A163L13-L159 HydrophobicContact CD2-CB 4.02Å; V155-L159 HydrophobicContact CG1-CD1 3.92Å; V155-L159 HydrophobicContact CG1-CG 4.38Å; V155-L159 WeakPolarHBondContact O-CG 3.41Å; V155-L159 PolarHBondContact O-N 3.37Å; I156-L159 PolarHBondContact O-N 3.11Å; L159-I162 PolarHBondContact O-N 3.25Å; L159-A163 WeakPolarHBondContact O-CB 3.45Å; L159-A163 PolarHBondContact O-N 2.91Å
160T93.6Very high90.3Very high0 Ų054.2 Ų54.20%030%0.303CS..Hα-helixtrans-75.5-31.7-179.8-47.60000111.8L14 I17 V78 I156 L157 T158 A163 T164L14-T160 HydrophobicContact CD2-CG2 3.9Å; I17-T160 HydrophobicContact CD1-CG2 4.44Å; I17-T160 HydrophobicContact CG1-CG2 3.55Å; V78-T160 HydrophobicContact CB-CG2 4.36Å; V78-T160 HydrophobicContact CG1-CG2 4.02Å; V78-T160 HydrophobicContact CG2-CG2 3.47Å; V78-T160 VanDerWaalsContact CG2-CG2 3.47Å; I156-T160 VanDerWaalsContact O-CB 3.27Å; I156-T160 WeakPolarHBondContact O-CB 3.19Å; I156-T160 PolarHBondContact O-N 2.92Å; I156-T160 PolarHBondContact O-OG1 3.12Å; L157-T160 PolarHBondContact O-N 3.41Å; T158-T160 VanDerWaalsContact C-N 3.28Å; T158-T160 PolarHBondContact O-N 2.88Å; T160-A163 PolarHBondContact O-N 2.93Å; T160-T164 VanDerWaalsContact O-CB 3.31Å; T160-T164 WeakPolarHBondContact O-CB 3.42Å; T160-T164 PolarHBondContact O-N 3.23Å; T160-T164 PolarHBondContact O-OG1 2.81Å
161A94.1Very high89.2Confident38 Ų3849.5 Ų49.531%0.31428%0.282SS..Hα-helixtrans-62.4-45.2171.100000110.7L157 T158 A163 T164 L165L157-A161 VanDerWaalsContact O-CB 3.28Å; L157-A161 WeakPolarHBondContact O-CB 3.37Å; L157-A161 PolarHBondContact O-N 2.91Å; T158-A161 PolarHBondContact O-N 3.06Å; A161-A163 VanDerWaalsContact C-N 3.34Å; A161-A163 PolarHBondContact O-N 3.48Å; A161-T164 PolarHBondContact O-N 3.19Å; A161-L165 VanDerWaalsContact O-CG 3.32Å; A161-L165 WeakPolarHBondContact O-CG 3.48Å; A161-L165 PolarHBondContact O-N 3.36Å
162I92.6Very high87.5Confident103 Ų10344.7 Ų44.753%0.52827%0.272SS..Hα-helixtrans-59.2-46.3173.4-65.3166.3000110.5T158 L159 T164 L165 D166T158-I162 HydrophobicContact CG2-CD1 4.3Å; T158-I162 WeakPolarHBondContact O-CG1 3.33Å; T158-I162 PolarHBondContact O-N 2.92Å; L159-I162 PolarHBondContact O-N 3.25Å; I162-T164 VanDerWaalsContact C-N 3.29Å; I162-T164 PolarHBondContact O-N 2.88Å; I162-L165 PolarHBondContact O-N 2.86Å; I162-D166 PolarHBondContact O-N 3.13Å
163A91.1Very high85.4Confident0 Ų048.5 Ų48.50%029%0.291CS..Hα-helixtrans-60.7-39.9177.700000112.6L10 L13 L159 T160 A161 D166 R167L10-A163 HydrophobicContact CD2-CB 3.48Å; L10-A163 VanDerWaalsContact CD2-CB 3.48Å; L13-A163 HydrophobicContact CD2-CB 4.02Å; L159-A163 WeakPolarHBondContact O-CB 3.45Å; L159-A163 PolarHBondContact O-N 2.91Å; T160-A163 PolarHBondContact O-N 2.93Å; A161-A163 VanDerWaalsContact C-N 3.34Å; A161-A163 PolarHBondContact O-N 3.48Å; A163-D166 PolarHBondContact O-N 3.48Å; A163-R167 VanDerWaalsContact O-CG 3.3Å; A163-R167 WeakPolarHBondContact O-CG 3.48Å; A163-R167 PolarHBondContact O-N 3.42Å
164T90.2Very high83.4Confident5 Ų549.5 Ų49.53%0.03130%0.298CS..Hα-helixtrans-69.2-42.5178.6-63.40000111.6R74 V78 T160 A161 I162 D166 R167 I168R74-T164 HydrophobicContact CB-CG2 3.69Å; V78-T164 VanDerWaalsContact CG2-OG1 3.23Å; V78-T164 WeakPolarHBondContact CG2-OG1 3.48Å; T160-T164 VanDerWaalsContact O-CB 3.31Å; T160-T164 WeakPolarHBondContact O-CB 3.42Å; T160-T164 PolarHBondContact O-N 3.23Å; T160-T164 PolarHBondContact O-OG1 2.81Å; A161-T164 PolarHBondContact O-N 3.19Å; I162-T164 VanDerWaalsContact C-N 3.29Å; I162-T164 PolarHBondContact O-N 2.88Å; T164-D166 VanDerWaalsContact C-N 3.32Å; T164-D166 PolarHBondContact O-N 2.91Å; T164-R167 WeakPolarHBondContact O-CB 3.2Å; T164-R167 PolarHBondContact O-N 2.77Å; T164-R167 VanDerWaalsContact O-N 3.16Å; T164-I168 HydrophobicContact CG2-CD1 3.87Å; T164-I168 HydrophobicContact CG2-CG1 4.46Å; T164-I168 WeakPolarHBondContact O-CD1 3.47Å; T164-I168 WeakPolarHBondContact O-CG1 3.31Å; T164-I168 PolarHBondContact O-N 2.82Å
165L89Confident81Confident117 Ų11748.6 Ų48.661%0.61330%0.304SS*.Hα-helixtrans-60.6-41.5174.5-71.8171.9000111.9A161 I162 R167 I168 G169A161-L165 VanDerWaalsContact O-CG 3.32Å; A161-L165 WeakPolarHBondContact O-CG 3.48Å; A161-L165 PolarHBondContact O-N 3.36Å; I162-L165 PolarHBondContact O-N 2.86Å; L165-R167 VanDerWaalsContact C-N 3.33Å; L165-R167 PolarHBondContact O-N 2.77Å; L165-I168 HydrophobicContact CD2-CD1 4.35Å; L165-I168 PolarHBondContact O-N 2.83Å; L165-G169 PolarHBondContact O-N 3.19Å
166D87.2Confident78.3Confident26 Ų2653.7 Ų53.714%0.13932%0.321CS..Hα-helixtrans-61.9-41.6174-17267.3000111.9R6 L10 I162 A163 T164 I168 G169 T170R6-D166 VanDerWaalsContact CZ-CG 3.49Å; R6-D166 IonicContact CZ-OD1 3.08Å; R6-D166 IonicContact CZ-OD2 3.51Å; R6-D166 VanDerWaalsContact NH1-CG 3.32Å; R6-D166 IonicContact NH1-OD1 2.8Å; R6-D166 PolarHBondContact NH1-OD1 3.44Å; R6-D166 IonicContact NH1-OD2 3.17Å; R6-D166 PolarHBondContact NH1-OD2 2.92Å; R6-D166 IonicContact NH2-OD1 2.65Å; R6-D166 PolarHBondContact NH2-OD1 3Å; R6-D166 IonicContact NH2-OD2 3.68Å; L10-D166 HydrophobicContact CD1-CB 4.23Å; L10-D166 WeakPolarHBondContact CD1-OD2 3.3Å; I162-D166 PolarHBondContact O-N 3.13Å; A163-D166 PolarHBondContact O-N 3.48Å; T164-D166 VanDerWaalsContact C-N 3.32Å; T164-D166 PolarHBondContact O-N 2.91Å; D166-I168 VanDerWaalsContact C-N 3.35Å; D166-I168 PolarHBondContact O-N 3.26Å; D166-G169 PolarHBondContact O-N 3.04Å; D166-T170 WeakPolarHBondContact O-CB 3.38Å; D166-T170 WeakPolarHBondContact O-CG2 3.46Å; D166-T170 PolarHBondContact O-N 2.9Å; D166-T170 PolarHBondContact O-OG1 3.5Å
167R84.6Confident75.6Confident7 Ų763.3 Ų63.33%0.02636%0.356CS..Hα-helixtrans-64.4-38.4175.6-68.4-69.3161.7-150.55.8112.7E7 E11 L14 A163 T164 L165 G169 T170 D171E7-R167 PolarHBondContact O-NH2 3.43Å; E7-R167 IonicContact OE1-NH1 3.37Å; E7-R167 IonicContact OE2-CZ 2.77Å; E7-R167 IonicContact OE2-NH1 2.97Å; E7-R167 PolarHBondContact OE2-NH1 3.16Å; E7-R167 IonicContact OE2-NH2 3.63Å; E7-R167 PolarHBondContact OE2-NH2 3.12Å; E11-R167 IonicContact OE1-CZ 3.15Å; E11-R167 IonicContact OE1-NE 2.78Å; E11-R167 PolarHBondContact OE1-NE 3.05Å; E11-R167 IonicContact OE1-NH1 3.74Å; E11-R167 IonicContact OE1-NH2 3.57Å; E11-R167 PolarHBondContact OE1-NH2 2.74Å; L14-R167 HydrophobicContact CD1-CG 3.94Å; A163-R167 VanDerWaalsContact O-CG 3.3Å; A163-R167 WeakPolarHBondContact O-CG 3.48Å; A163-R167 PolarHBondContact O-N 3.42Å; T164-R167 WeakPolarHBondContact O-CB 3.2Å; T164-R167 PolarHBondContact O-N 2.77Å; T164-R167 VanDerWaalsContact O-N 3.16Å; L165-R167 VanDerWaalsContact C-N 3.33Å; L165-R167 PolarHBondContact O-N 2.77Å; R167-G169 VanDerWaalsContact C-N 3.28Å; R167-G169 PolarHBondContact O-N 2.97Å; R167-T170 WeakPolarHBondContact CA-OG1 3.44Å; R167-T170 PolarHBondContact O-N 2.95Å; R167-D171 VanDerWaalsContact O-CB 3.27Å; R167-D171 WeakPolarHBondContact O-CB 3.35Å; R167-D171 PolarHBondContact O-N 3.39Å
168I83Confident72.7Confident35 Ų3568.4 Ų68.418%0.17938%0.378CS..Hα-helixtrans-63.3-38175.3-66.1159.4000110.7K67 T71 I75 T164 L165 D166K67-I168 WeakPolarHBondContact CE-O 3.33Å; K67-I168 PolarHBondContact NZ-O 3.3Å; T71-I168 HydrophobicContact CG2-CD1 3.49Å; T71-I168 VanDerWaalsContact CG2-CD1 3.49Å; T71-I168 HydrophobicContact CG2-CG1 3.7Å; T71-I168 HydrophobicContact CG2-CG2 4.06Å; I75-I168 HydrophobicContact CD1-CD1 4.5Å; I75-I168 HydrophobicContact CG1-CD1 4.47Å; T164-I168 HydrophobicContact CG2-CD1 3.87Å; T164-I168 HydrophobicContact CG2-CG1 4.46Å; T164-I168 WeakPolarHBondContact O-CD1 3.47Å; T164-I168 WeakPolarHBondContact O-CG1 3.31Å; T164-I168 PolarHBondContact O-N 2.82Å; L165-I168 HydrophobicContact CD2-CD1 4.35Å; L165-I168 PolarHBondContact O-N 2.83Å; D166-I168 VanDerWaalsContact C-N 3.35Å; D166-I168 PolarHBondContact O-N 3.26Å
169G72.1Confident69.5Low61 Ų6173.1 Ų73.163%0.62940%0.395SS*.Hα-helixtrans-71-37.1176.500000113.9L165 D166 R167L165-G169 PolarHBondContact O-N 3.19Å; D166-G169 PolarHBondContact O-N 3.04Å; R167-G169 VanDerWaalsContact C-N 3.28Å; R167-G169 PolarHBondContact O-N 2.97Å
170T71.9Confident66.4Low60 Ų6078.3 Ų78.337%0.36841%0.413SS..Hα-helixtrans-96.1-28.2-171.253.50000114.9D166 R167 G172D166-T170 WeakPolarHBondContact O-CB 3.38Å; D166-T170 WeakPolarHBondContact O-CG2 3.46Å; D166-T170 PolarHBondContact O-N 2.9Å; D166-T170 PolarHBondContact O-OG1 3.5Å; R167-T170 WeakPolarHBondContact CA-OG1 3.44Å; R167-T170 PolarHBondContact O-N 2.95Å; T170-G172 PolarHBondContact O-N 3.09Å
171D67.6Low63.2Low13 Ų1387.7 Ų87.77%0.0745%0.454CS..  trans-74.4120.2174.5-81.3-14.8000110K67 R74 R122 R167K67-D171 WeakPolarHBondContact CE-O 3.29Å; K67-D171 PolarHBondContact NZ-O 3.35Å; R74-D171 IonicContact CZ-OD2 3.82Å; R74-D171 IonicContact NH2-OD2 3.47Å; R74-D171 PolarHBondContact NH2-OD2 2.69Å; R122-D171 VanDerWaalsContact NH2-CG 3.31Å; R122-D171 IonicContact NH2-OD1 3.06Å; R122-D171 PolarHBondContact NH2-OD1 2.93Å; R122-D171 IonicContact NH2-OD2 2.66Å; R122-D171 PolarHBondContact NH2-OD2 3.21Å; R122-D171 VanDerWaalsContact NH2-OD2 3.16Å; R167-D171 VanDerWaalsContact O-CB 3.27Å; R167-D171 WeakPolarHBondContact O-CB 3.35Å; R167-D171 PolarHBondContact O-N 3.39Å
172G58Low60.2Low52 Ų5293 Ų9354%0.53648%0.483SS..  trans-76.6177.3165.400000111.9T170 C174T170-G172 PolarHBondContact O-N 3.09Å; G172-C174 PolarHBondContact O-N 2.86Å
173D51.6Low57.1Low93 Ų9391.2 Ų91.250%0.49749%0.49SS..  trans-57.2123175.9-79.3-32.3000111.3K67 S175K67-D173 WeakPolarHBondContact CB-OD1 3.11Å; D173-S175 WeakPolarHBondContact CB-OG 3.19Å; D173-S175 PolarHBondContact O-N 3.17Å
174C53.4Low54Low20 Ų20100.6 Ų100.614%0.13553%0.534CS..THydrogen-bonded Turntrans-66.6-4175.4-75.20000113.2G172 K176G172-C174 PolarHBondContact O-N 2.86Å; C174-K176 VanDerWaalsContact C-N 3.31Å; C174-K176 PolarHBondContact O-N 3.42Å
175S44.3Very low51.2Low85 Ų85105.2 Ų105.259%0.59457%0.573SS**THydrogen-bonded Turntrans-71.3-18.8178.864.30000114.2D173 R177D173-S175 WeakPolarHBondContact CB-OG 3.19Å; D173-S175 PolarHBondContact O-N 3.17Å; S175-R177 VanDerWaalsContact C-N 3.3Å; S175-R177 PolarHBondContact O-N 3.25Å
176K39.2Very low48.3Very low183 Ų183104.1 Ų104.180%0.79658%0.581SS**  trans-79.178.9176.5-69.1-171.6-179.4-177.30110.6C174 E178C174-K176 VanDerWaalsContact C-N 3.31Å; C174-K176 PolarHBondContact O-N 3.42Å; K176-E178 PolarHBondContact O-N 2.66Å
177R40Very low45.7Very low220 Ų220109.9 Ų109.983%0.8362%0.617SS**PPolyproline II helixtrans-61.6125.1159.2-156.7176.7-169.51785.1106.3S175 E179S175-R177 VanDerWaalsContact C-N 3.3Å; S175-R177 PolarHBondContact O-N 3.25Å; R177-E179 PolarHBondContact O-N 3.25Å
178E34Very low43Very low146 Ų146112.3 Ų112.368%0.68264%0.644SS**PPolyproline II helixtrans-50.2120.2166.3-86-173.2149.300106.9K176 K180K176-E178 PolarHBondContact O-N 2.66Å; E178-K180 PolarHBondContact O-N 3.08Å
179E26.9Very low40.4Very low182 Ų182120.4 Ų120.485%0.8568%0.684SS**PPolyproline II helixtrans-49.7116.1176.2-78.1177155.500108R177 K181R177-E179 PolarHBondContact O-N 3.25Å; E179-K181 VanDerWaalsContact C-N 3.26Å; E179-K181 PolarHBondContact O-N 3.38Å
180K29.7Very low38.8Very low198 Ų198121.6 Ų121.686%0.86169%0.688SS**  trans-60.998.7163.8-122.3-175.9178.5-172.40105E178 T182E178-K180 PolarHBondContact O-N 3.08Å; K180-T182 PolarHBondContact O-N 2.8Å
181K26.2Very low37.5Very low197 Ų197124.1 Ų124.186%0.85771%0.708SS**  trans-52.7116.3164.8-81.8-170.2174.1-171.10106.8E179 G183E179-K181 VanDerWaalsContact C-N 3.26Å; E179-K181 PolarHBondContact O-N 3.38Å; K181-G183 PolarHBondContact O-N 2.99Å
182T31Very low36.9Very low149 Ų149134.8 Ų134.891%0.91475%0.747SS**  trans-56.2118.5166.422.80000108.3K180K180-T182 PolarHBondContact O-N 2.8Å
183G28.5Very low37.2Very low67 Ų67135 Ų13569%0.69174%0.739SS**  trans177.1112.6176.800000110.7K181K181-G183 PolarHBondContact O-N 2.99Å
184E24.7Very low38.6Very low196 Ų196134.5 Ų134.592%0.91674%0.736SS**  trans82.891.3168.2-61.4179.5173.100117.3A186E184-A186 VanDerWaalsContact C-N 3.35Å; E184-A186 PolarHBondContact O-N 3.32Å
185A32.9Very low40.2Very low103 Ų103137.8 Ų137.885%0.85175%0.746SS**  trans-6293.9155.500000109.3T187A185-T187 PolarHBondContact O-N 2.79Å
186A27.5Very low42.5Very low94 Ų94137.6 Ų137.678%0.77774%0.738SS**  trans-79.1100.3162.200000108.5E184 G188E184-A186 VanDerWaalsContact C-N 3.35Å; E184-A186 PolarHBondContact O-N 3.32Å; A186-G188 PolarHBondContact O-N 3.47Å
187T33.2Very low45.1Very low147 Ų147130.1 Ų130.190%0.90271%0.706SS**  trans-58.6101.3160.940.80000109.2A185A185-T187 PolarHBondContact O-N 2.79Å
188G26.8Very low47.5Very low58 Ų58119.6 Ų119.660%0.59867%0.667SS**  trans-165.4117.917000000107A186 A190A186-G188 PolarHBondContact O-N 3.47Å; G188-A190 PolarHBondContact O-N 3.22Å
189M29Very low50.4Low204 Ų204112.7 Ų112.7100%1.00563%0.634SS**  trans-69.369.2-179.4-156.2151.268.500109.4S191M189-S191 PolarHBondContact O-N 3.11Å
190A38.7Very low53.8Low87 Ų87104.2 Ų104.272%0.71960%0.596SS**PPolyproline II helixtrans-70119.7177.500000107.9G188 R192G188-A190 PolarHBondContact O-N 3.22Å; A190-R192 PolarHBondContact O-N 3.03Å; A190-R192 VanDerWaalsContact O-N 3.11Å
191S44Very low56.9Low112 Ų11294.9 Ų94.978%0.78356%0.555SS**PPolyproline II helixtrans-46.1119.8177.261.40000109.8M189M189-S191 PolarHBondContact O-N 3.11Å
192R55.7Low60.3Low237 Ų23785.7 Ų85.789%0.89452%0.515SS*.PPolyproline II helixtrans-56.1127.1177.2-70-179.5178.7175.20.4108.2A190 N194A190-R192 PolarHBondContact O-N 3.03Å; A190-R192 VanDerWaalsContact O-N 3.11Å; R192-N194 PolarHBondContact O-N 3.03Å
193P63.6Low63.5Low57 Ų5778.6 Ų78.637%0.3747%0.472SS..PPolyproline II helixtrans-60.8133.8-179.624.5-32.8000110.1W195 P368P193-W195 PolarHBondContact O-N 2.91Å; P193-P368 HydrophobicContact CB-CG 3.88Å
194N81.8Confident66.8Low82 Ų8275.4 Ų75.444%0.43944%0.439SS..  trans-76.288.6-174.8-171.2-8.1000110.8R192 L196 L197 A198R192-N194 PolarHBondContact O-N 3.03Å; N194-L196 PolarHBondContact O-N 2.76Å; N194-L196 WeakPolarHBondContact OD1-CB 3.22Å; N194-L196 PolarHBondContact OD1-N 3.03Å; N194-L197 HydrophobicContact CB-CB 4.08Å; N194-L197 PolarHBondContact O-N 3.17Å; N194-L197 PolarHBondContact OD1-N 3.42Å; N194-A198 PolarHBondContact O-N 3.04Å
195W87.4Confident70.3Confident90 Ų9066.1 Ų66.134%0.34140%0.396SS..Hα-helixtrans-61.5-27.2179.867.4-88.7000113.7P193 G199 K314 T315 I318P193-W195 PolarHBondContact O-N 2.91Å; W195-G199 PolarHBondContact O-N 3.21Å; W195-K314 HydrophobicContact CE3-CB 4.04Å; W195-K314 HydrophobicContact CH2-CB 4.33Å; W195-K314 HydrophobicContact CH2-CD 4.46Å; W195-K314 HydrophobicContact CZ3-CB 3.73Å; W195-T315 HydrophobicContact CB-CG2 3.69Å; W195-T315 HydrophobicContact CE3-CG2 4.33Å; W195-I318 HydrophobicContact CE3-CG1 4.23Å; W195-I318 HydrophobicContact CH2-CG1 4.35Å; W195-I318 HydrophobicContact CZ3-CD1 4.23Å; W195-I318 HydrophobicContact CZ3-CG1 3.52Å
196L92.2Very high73.4Confident80 Ų8061.3 Ų61.342%0.41936%0.356SS..Hα-helixtrans-66.4-50.9174.2-69.7168.7000110.2N194 A198 G199 A200 I318N194-L196 PolarHBondContact O-N 2.76Å; N194-L196 WeakPolarHBondContact OD1-CB 3.22Å; N194-L196 PolarHBondContact OD1-N 3.03Å; L196-A198 PolarHBondContact O-N 2.96Å; L196-G199 PolarHBondContact O-N 3.23Å; L196-A200 WeakPolarHBondContact O-CB 3.3Å; L196-A200 PolarHBondContact O-N 2.94Å; L196-I318 HydrophobicContact CD2-CD1 3.64Å; L196-I318 HydrophobicContact CD2-CG1 3.87Å; L196-I318 WeakPolarHBondContact O-CG2 3.32Å
197L93.1Very high76.8Confident26 Ų2656.8 Ų56.814%0.13632%0.319CS..Hα-helixtrans-64.1-41.7-179.6178.460.6000112N194 A200 A201 L362 N363 F366N194-L197 HydrophobicContact CB-CB 4.08Å; N194-L197 PolarHBondContact O-N 3.17Å; N194-L197 PolarHBondContact OD1-N 3.42Å; L197-A200 PolarHBondContact O-N 3.03Å; L197-A201 WeakPolarHBondContact O-CB 3.08Å; L197-A201 PolarHBondContact O-N 3.06Å; L197-L362 HydrophobicContact CD1-CB 3.9Å; L197-L362 HydrophobicContact CD2-CB 4.3Å; L197-N363 HydrophobicContact CD1-CB 4.33Å; L197-N363 HydrophobicContact CG-CB 4.07Å; L197-F366 HydrophobicContact CD2-CB 4.09Å
198A91.8Very high79.9Confident0 Ų049.8 Ų49.80%028%0.276CS..Hα-helixtrans-66.7-38.4177.200000112.4N194 L196 F202 H304 S308N194-A198 PolarHBondContact O-N 3.04Å; L196-A198 PolarHBondContact O-N 2.96Å; A198-F202 WeakPolarHBondContact O-CB 3.34Å; A198-F202 PolarHBondContact O-N 2.78Å; A198-F202 VanDerWaalsContact O-N 3.13Å; A198-H304 HydrophobicContact CB-CB 4.3Å; A198-S308 WeakPolarHBondContact CB-OG 3.49Å
199G94.8Very high83.3Confident0 Ų047.3 Ų47.30%025%0.249CC..Hα-helixtrans-60.4-55.1170.900000111.2W195 L196 A201 F202 G203 A319W195-G199 PolarHBondContact O-N 3.21Å; L196-G199 PolarHBondContact O-N 3.23Å; G199-A201 PolarHBondContact O-N 3.47Å; G199-F202 PolarHBondContact O-N 3.44Å; G199-G203 PolarHBondContact O-N 3.28Å; G199-A319 WeakPolarHBondContact O-CA 3.43Å; G199-A319 WeakPolarHBondContact O-CB 3.21Å
200A97Very high86.6Confident5 Ų537.6 Ų37.64%0.04120%0.201CC..Hα-helixtrans-54.6-51.2-179.700000111.4L196 L197 F202 G203 S204 I318 F322 I359L196-A200 WeakPolarHBondContact O-CB 3.3Å; L196-A200 PolarHBondContact O-N 2.94Å; L197-A200 PolarHBondContact O-N 3.03Å; A200-F202 VanDerWaalsContact C-N 3.33Å; A200-F202 PolarHBondContact O-N 2.9Å; A200-G203 PolarHBondContact O-N 2.88Å; A200-G203 VanDerWaalsContact O-N 3.15Å; A200-S204 PolarHBondContact O-N 2.73Å; A200-S204 PolarHBondContact O-OG 3.19Å; A200-I318 HydrophobicContact CB-CG2 4.45Å; A200-F322 HydrophobicContact CB-CD1 3.96Å; A200-F322 HydrophobicContact CB-CD2 3.56Å; A200-F322 HydrophobicContact CB-CE1 3.92Å; A200-F322 HydrophobicContact CB-CE2 3.51Å; A200-F322 HydrophobicContact CB-CG 3.79Å; A200-F322 HydrophobicContact CB-CZ 3.69Å; A200-I359 HydrophobicContact CB-CG2 3.79Å
201A96.2Very high89.4Confident1 Ų133.9 Ų33.91%0.00817%0.168CC..Hα-helixtrans-63.5-34.9-179.700000114L197 G199 L205 I359 N363L197-A201 WeakPolarHBondContact O-CB 3.08Å; L197-A201 PolarHBondContact O-N 3.06Å; G199-A201 PolarHBondContact O-N 3.47Å; A201-L205 VanDerWaalsContact O-CB 3.3Å; A201-L205 WeakPolarHBondContact O-CB 3.39Å; A201-L205 PolarHBondContact O-N 3.26Å; A201-I359 HydrophobicContact CB-CG2 3.98Å; A201-N363 HydrophobicContact CB-CB 3.31Å
202F96.4Very high92Very high4 Ų428.6 Ų28.62%0.01813%0.131CC..Hα-helixtrans-68-44.6173.4178.5-108.4000111.4W111 A198 G199 A200 S204 L205 V206 W298 L302 L305 M316 A319W111-F202 AromaticContact CH2-CZ 3.9Å; W111-F202 HydrophobicContact CH2-CZ 3.9Å; W111-F202 HydrophobicContact CZ3-CE1 4.13Å; W111-F202 AromaticContact CZ3-CZ 3.77Å; W111-F202 HydrophobicContact CZ3-CZ 3.77Å; A198-F202 WeakPolarHBondContact O-CB 3.34Å; A198-F202 PolarHBondContact O-N 2.78Å; A198-F202 VanDerWaalsContact O-N 3.13Å; G199-F202 PolarHBondContact O-N 3.44Å; A200-F202 VanDerWaalsContact C-N 3.33Å; A200-F202 PolarHBondContact O-N 2.9Å; F202-S204 VanDerWaalsContact C-N 3.35Å; F202-S204 PolarHBondContact O-N 3.13Å; F202-L205 PolarHBondContact O-N 3.49Å; F202-V206 HydrophobicContact CD1-CG2 4.25Å; F202-V206 HydrophobicContact CD2-CG2 4.4Å; F202-V206 HydrophobicContact CE1-CG2 3.8Å; F202-V206 HydrophobicContact CE2-CG2 3.96Å; F202-V206 HydrophobicContact CZ-CG2 3.64Å; F202-V206 VanDerWaalsContact O-CG2 3.27Å; F202-V206 WeakPolarHBondContact O-CG2 3.45Å; F202-V206 PolarHBondContact O-N 3.48Å; F202-W298 HydrophobicContact CE2-CE3 4.45Å; F202-W298 AromaticContact CE2-CZ3 3.83Å; F202-W298 HydrophobicContact CE2-CZ3 3.83Å; F202-W298 HydrophobicContact CZ-CZ3 4.36Å; F202-L302 HydrophobicContact CD2-CG 4.18Å; F202-L302 HydrophobicContact CE2-CD1 3.83Å; F202-L302 HydrophobicContact CE2-CD2 4.33Å; F202-L302 HydrophobicContact CE2-CG 3.66Å; F202-L302 HydrophobicContact CZ-CG 4.44Å; F202-L305 HydrophobicContact CB-CB 4.43Å; F202-L305 HydrophobicContact CB-CD1 4Å; F202-L305 HydrophobicContact CB-CD2 4.24Å; F202-L305 HydrophobicContact CB-CG 4.45Å; F202-L305 HydrophobicContact CD1-CD1 4.34Å; F202-L305 HydrophobicContact CD1-CD2 3.53Å; F202-L305 HydrophobicContact CD2-CD2 4.25Å; F202-L305 HydrophobicContact CE1-CD2 3.91Å; F202-L305 HydrophobicContact CG-CD1 4.37Å; F202-L305 HydrophobicContact CG-CD2 3.73Å; F202-L305 HydrophobicContact CG-CG 4.45Å; F202-L305 HydrophobicContact CZ-CD2 4.42Å; F202-M316 HydrophobicContact CE1-SD 4.17Å; F202-A319 HydrophobicContact CB-CB 4.43Å; F202-A319 HydrophobicContact CD1-CB 3.71Å
203G98Very high94Very high0 Ų017.3 Ų17.30%09%0.089CC..Hα-helixtrans-55-49.7173.700000112.4G199 A200 L205 V206 F207 A319G199-G203 PolarHBondContact O-N 3.28Å; A200-G203 PolarHBondContact O-N 2.88Å; A200-G203 VanDerWaalsContact O-N 3.15Å; G203-L205 VanDerWaalsContact C-N 3.32Å; G203-L205 PolarHBondContact O-N 3.05Å; G203-V206 PolarHBondContact O-N 3.15Å; G203-F207 PolarHBondContact O-N 3.11Å; G203-A319 WeakPolarHBondContact CA-O 2.96Å
204S98.5Very high95.6Very high0 Ų014.6 Ų14.60%07%0.071CC..Hα-helixtrans-63.5-35.5177.8-530000113.1A200 F202 L208 E326A200-S204 PolarHBondContact O-N 2.73Å; A200-S204 PolarHBondContact O-OG 3.19Å; F202-S204 VanDerWaalsContact C-N 3.35Å; F202-S204 PolarHBondContact O-N 3.13Å; S204-L208 WeakPolarHBondContact O-CB 3.44Å; S204-L208 PolarHBondContact O-N 3.24Å; S204-E326 VanDerWaalsContact CA-OE2 3.24Å; S204-E326 WeakPolarHBondContact CA-OE2 3.49Å; S204-E326 VanDerWaalsContact CB-OE1 3.25Å; S204-E326 WeakPolarHBondContact CB-OE1 3.06Å; S204-E326 PolarHBondContact OG-OE1 3.43Å
205L98.3Very high96.3Very high1 Ų110.8 Ų10.81%0.0055%0.05CC..Hα-helixtrans-70-39175.4-177.162.6000112.4A201 F202 G203 T209 T294 M297 W298 A301 I360A201-L205 VanDerWaalsContact O-CB 3.3Å; A201-L205 WeakPolarHBondContact O-CB 3.39Å; A201-L205 PolarHBondContact O-N 3.26Å; F202-L205 PolarHBondContact O-N 3.49Å; G203-L205 VanDerWaalsContact C-N 3.32Å; G203-L205 PolarHBondContact O-N 3.05Å; L205-T209 VanDerWaalsContact O-CB 3.32Å; L205-T209 WeakPolarHBondContact O-CB 3.49Å; L205-T209 PolarHBondContact O-N 2.7Å; L205-T209 PolarHBondContact O-OG1 2.93Å; L205-T294 HydrophobicContact CD1-CG2 3.77Å; L205-M297 HydrophobicContact CD1-CB 4.08Å; L205-M297 HydrophobicContact CD2-CB 3.98Å; L205-W298 HydrophobicContact CD2-CB 4.42Å; L205-W298 HydrophobicContact CD2-CD2 4.04Å; L205-W298 HydrophobicContact CD2-CG 3.95Å; L205-W298 HydrophobicContact CG-CD2 4.37Å; L205-W298 HydrophobicContact CG-CZ2 4.35Å; L205-A301 HydrophobicContact CD2-CB 3.61Å; L205-I360 HydrophobicContact CB-CD1 4.4Å; L205-I360 HydrophobicContact CD1-CD1 4.31Å
206V98.3Very high96.8Very high2 Ų26.6 Ų6.61%0.0124%0.035CC..Hα-helixtrans-61.9-48.9174174.20000109.6W19 F202 G203 T209 H210 W298 Y323W19-V206 HydrophobicContact CH2-CG1 4.08Å; W19-V206 HydrophobicContact CZ3-CG1 4.24Å; F202-V206 HydrophobicContact CD1-CG2 4.25Å; F202-V206 HydrophobicContact CD2-CG2 4.4Å; F202-V206 HydrophobicContact CE1-CG2 3.8Å; F202-V206 HydrophobicContact CE2-CG2 3.96Å; F202-V206 HydrophobicContact CZ-CG2 3.64Å; F202-V206 VanDerWaalsContact O-CG2 3.27Å; F202-V206 WeakPolarHBondContact O-CG2 3.45Å; F202-V206 PolarHBondContact O-N 3.48Å; G203-V206 PolarHBondContact O-N 3.15Å; V206-T209 PolarHBondContact O-N 3.04Å; V206-H210 WeakPolarHBondContact O-CB 3.4Å; V206-H210 PolarHBondContact O-N 3.02Å; V206-W298 HydrophobicContact CB-CH2 4.42Å; V206-W298 HydrophobicContact CG2-CH2 3.74Å; V206-W298 HydrophobicContact CG2-CZ3 4.38Å; V206-Y323 HydrophobicContact CB-CD2 4.25Å; V206-Y323 HydrophobicContact CG1-CD2 3.77Å; V206-Y323 HydrophobicContact CG1-CE2 3.89Å
207F98.6Very high97Very high0 Ų02.8 Ų2.80%02%0.015CC..Hα-helixtrans-62.5-47.6178.2172.9-101.4000111.6G203 T209 H210 W211 Y323 E326 I327 C330 L352 I356 P472G203-F207 PolarHBondContact O-N 3.11Å; F207-T209 VanDerWaalsContact C-N 3.28Å; F207-T209 PolarHBondContact O-N 2.97Å; F207-H210 CarbonylContact O-C 3.46Å; F207-H210 WeakPolarHBondContact O-CA 3.41Å; F207-H210 WeakPolarHBondContact O-CB 3.34Å; F207-H210 PolarHBondContact O-N 2.77Å; F207-W211 HydrophobicContact CE1-CB 4.15Å; F207-W211 HydrophobicContact CE1-CD2 4.01Å; F207-W211 AromaticContact CE1-CE3 3.57Å; F207-W211 HydrophobicContact CE1-CE3 3.57Å; F207-W211 HydrophobicContact CE1-CG 4.31Å; F207-W211 HydrophobicContact CE1-CZ3 4.28Å; F207-W211 HydrophobicContact CE2-CB 4.27Å; F207-W211 HydrophobicContact CZ-CB 3.91Å; F207-W211 AromaticContact CZ-CD2 3.93Å; F207-W211 HydrophobicContact CZ-CD2 3.93Å; F207-W211 AromaticContact CZ-CE3 3.96Å; F207-W211 HydrophobicContact CZ-CE3 3.96Å; F207-W211 AromaticContact CZ-CG 3.95Å; F207-W211 HydrophobicContact CZ-CG 3.95Å; F207-W211 WeakPolarHBondContact O-CB 3.11Å; F207-W211 PolarHBondContact O-N 3.39Å; F207-Y323 HydrophobicContact CB-CD2 3.7Å; F207-Y323 HydrophobicContact CB-CE2 4.22Å; F207-Y323 HydrophobicContact CD2-CE2 4.47Å; F207-E326 HydrophobicContact CB-CB 4.3Å; F207-E326 WeakPolarHBondContact CB-OE2 3.47Å; F207-E326 HydrophobicContact CD1-CB 3.5Å; F207-E326 VanDerWaalsContact CD1-CB 3.5Å; F207-E326 HydrophobicContact CD1-CG 4.28Å; F207-E326 WeakPolarHBondContact CD1-OE2 3.22Å; F207-E326 HydrophobicContact CD2-CB 4.06Å; F207-E326 HydrophobicContact CE1-CB 3.8Å; F207-E326 HydrophobicContact CE2-CB 4.34Å; F207-E326 HydrophobicContact CG-CB 3.65Å; F207-E326 WeakPolarHBondContact CG-OE2 3.38Å; F207-E326 HydrophobicContact CZ-CB 4.23Å; F207-I327 HydrophobicContact CD2-CB 4.16Å; F207-I327 HydrophobicContact CD2-CG1 4.49Å; F207-I327 HydrophobicContact CE2-CB 4.02Å; F207-I327 HydrophobicContact CE2-CG1 4.14Å; F207-C330 HydrophobicContact CE2-CB 4.19Å; F207-C330 HydrophobicContact CZ-CB 3.72Å; F207-L352 HydrophobicContact CE1-CD1 4.46Å; F207-L352 HydrophobicContact CE1-CD2 4.02Å; F207-L352 HydrophobicContact CE1-CG 4.36Å; F207-L352 HydrophobicContact CZ-CD2 4.11Å; F207-I356 HydrophobicContact CD1-CD1 3.53Å; F207-I356 HydrophobicContact CD1-CG1 4.46Å; F207-I356 HydrophobicContact CE1-CD1 3.6Å; F207-P472 HydrophobicContact CE2-CG 4.14Å
208L98.4Very high97.2Very high0 Ų01.6 Ų1.60%01%0.009CC..Hα-helixtrans-57.2-44177.8175.959.3000112.1S204 H210 W211 V212 F290 T294 L353 I356 I360S204-L208 WeakPolarHBondContact O-CB 3.44Å; S204-L208 PolarHBondContact O-N 3.24Å; L208-H210 VanDerWaalsContact C-N 3.33Å; L208-W211 PolarHBondContact O-N 2.94Å; L208-V212 HydrophobicContact CD1-CG2 4.03Å; L208-V212 PolarHBondContact O-N 3.49Å; L208-F290 HydrophobicContact CD1-CE1 3.67Å; L208-F290 HydrophobicContact CD1-CZ 3.5Å; L208-F290 VanDerWaalsContact CD1-CZ 3.5Å; L208-F290 HydrophobicContact CD2-CE1 4.47Å; L208-F290 HydrophobicContact CD2-CE2 4.11Å; L208-F290 HydrophobicContact CD2-CZ 3.62Å; L208-F290 HydrophobicContact CG-CZ 4.08Å; L208-T294 HydrophobicContact CD2-CG2 3.9Å; L208-T294 HydrophobicContact CG-CG2 4.06Å; L208-L353 HydrophobicContact CD1-CD1 3.87Å; L208-I356 HydrophobicContact CB-CG2 4.06Å; L208-I356 HydrophobicContact CD2-CG2 4.11Å; L208-I356 HydrophobicContact CG-CG2 4.48Å; L208-I360 HydrophobicContact CD2-CD1 4.1Å
209T98.4Very high97.5Very high5 Ų51.7 Ų1.73%0.0311%0.009CC..Hα-helixtrans-64.8-40.5176.5-57.20000110.9W19 Q130 L205 V206 F207 F213 G214 W298W19-T209 HydrophobicContact CH2-CG2 4.13Å; Q130-T209 HydrophobicContact CG-CG2 4.09Å; L205-T209 VanDerWaalsContact O-CB 3.32Å; L205-T209 WeakPolarHBondContact O-CB 3.49Å; L205-T209 PolarHBondContact O-N 2.7Å; L205-T209 PolarHBondContact O-OG1 2.93Å; V206-T209 PolarHBondContact O-N 3.04Å; F207-T209 VanDerWaalsContact C-N 3.28Å; F207-T209 PolarHBondContact O-N 2.97Å; T209-F213 CarbonylContact O-C 2.95Å; T209-F213 VanDerWaalsContact O-CA 3.27Å; T209-F213 WeakPolarHBondContact O-CA 3.22Å; T209-F213 PolarHBondContact O-N 2.91Å; T209-G214 PolarHBondContact O-N 3.43Å; T209-W298 HydrophobicContact CG2-CZ2 3.9Å; T209-W298 VanDerWaalsContact OG1-CZ2 3.28Å; T209-W298 WeakPolarHBondContact OG1-CZ2 3.49Å; T209-W298 PolarHBondContact OG1-NE1 3.04Å
210H97.8Very high97.6Very high0 Ų02 Ų20%01%0.011CC..Hα-helixtrans-65.7-43.6175.7-171.2-170.9000111.6H23 V206 F207 L208 G214 Y323 N476H23-H210 AromaticContact CD2-CD2 3.41Å; H23-H210 PolarHBondContact CD2-CD2 3.31Å; H23-H210 VanDerWaalsContact CD2-CD2 3.41Å; H23-H210 AromaticContact CD2-NE2 3.38Å; H23-H210 PolarHBondContact CD2-NE2 2.89Å; H23-H210 AromaticContact CE1-CD2 3.45Å; H23-H210 PolarHBondContact CE1-CD2 3.01Å; H23-H210 VanDerWaalsContact CE1-CD2 3.45Å; H23-H210 AromaticContact CE1-NE2 3.83Å; H23-H210 AromaticContact CG-CD2 3.79Å; H23-H210 AromaticContact CG-NE2 3.4Å; H23-H210 AromaticContact ND1-CD2 3.79Å; H23-H210 AromaticContact ND1-NE2 3.67Å; H23-H210 AromaticContact NE2-CD2 3.2Å; H23-H210 PolarHBondContact NE2-CD2 3.37Å; H23-H210 AromaticContact NE2-CG 3.94Å; H23-H210 AromaticContact NE2-NE2 3.69Å; V206-H210 WeakPolarHBondContact O-CB 3.4Å; V206-H210 PolarHBondContact O-N 3.02Å; F207-H210 CarbonylContact O-C 3.46Å; F207-H210 WeakPolarHBondContact O-CA 3.41Å; F207-H210 WeakPolarHBondContact O-CB 3.34Å; F207-H210 PolarHBondContact O-N 2.77Å; L208-H210 VanDerWaalsContact C-N 3.33Å; H210-G214 PolarHBondContact O-N 3.33Å; H210-Y323 HydrophobicContact CB-CE2 4.49Å; H210-Y323 PolarHBondContact CE1-OH 3.19Å; H210-Y323 AromaticContact ND1-CE2 3.99Å; H210-Y323 AromaticContact ND1-CZ 3.85Å; H210-Y323 PolarHBondContact ND1-OH 3.43Å; H210-N476 PolarHBondContact CD2-ND2 3.04Å; H210-N476 PolarHBondContact NE2-ND2 3.08Å; H210-N476 PolarHBondContact O-ND2 3.34Å
211W97.8Very high97.6Very high9 Ų92.1 Ų2.13%0.0341%0.011CC..Hα-helixtrans-72.1-47.3-173.6-175.920.6000113.6F207 L208 L218 W222 S349 L352 L353 I356 P472F207-W211 HydrophobicContact CE1-CB 4.15Å; F207-W211 HydrophobicContact CE1-CD2 4.01Å; F207-W211 AromaticContact CE1-CE3 3.57Å; F207-W211 HydrophobicContact CE1-CE3 3.57Å; F207-W211 HydrophobicContact CE1-CG 4.31Å; F207-W211 HydrophobicContact CE1-CZ3 4.28Å; F207-W211 HydrophobicContact CE2-CB 4.27Å; F207-W211 HydrophobicContact CZ-CB 3.91Å; F207-W211 AromaticContact CZ-CD2 3.93Å; F207-W211 HydrophobicContact CZ-CD2 3.93Å; F207-W211 AromaticContact CZ-CE3 3.96Å; F207-W211 HydrophobicContact CZ-CE3 3.96Å; F207-W211 AromaticContact CZ-CG 3.95Å; F207-W211 HydrophobicContact CZ-CG 3.95Å; F207-W211 WeakPolarHBondContact O-CB 3.11Å; F207-W211 PolarHBondContact O-N 3.39Å; L208-W211 PolarHBondContact O-N 2.94Å; W211-L218 WeakPolarHBondContact O-CD1 3.5Å; W211-W222 HydrophobicContact CD2-CH2 4.39Å; W211-W222 HydrophobicContact CD2-CZ2 4.16Å; W211-W222 AromaticContact CE2-CH2 3.78Å; W211-W222 AromaticContact CE2-CZ2 3.53Å; W211-W222 AromaticContact CH2-CH2 3.77Å; W211-W222 HydrophobicContact CH2-CH2 3.77Å; W211-W222 HydrophobicContact CH2-CZ2 4.38Å; W211-W222 AromaticContact CZ2-CH2 3.45Å; W211-W222 HydrophobicContact CZ2-CH2 3.45Å; W211-W222 VanDerWaalsContact CZ2-CH2 3.45Å; W211-W222 AromaticContact CZ2-CZ2 3.67Å; W211-W222 HydrophobicContact CZ2-CZ2 3.67Å; W211-W222 HydrophobicContact CZ3-CH2 4.34Å; W211-W222 AromaticContact NE1-CZ2 3.57Å; W211-S349 WeakPolarHBondContact CZ2-OG 3.38Å; W211-L352 HydrophobicContact CE3-CD2 4.44Å; W211-L352 HydrophobicContact CH2-CD2 3.88Å; W211-L352 HydrophobicContact CH2-CG 4.32Å; W211-L352 HydrophobicContact CZ2-CD2 4.41Å; W211-L352 HydrophobicContact CZ3-CD2 3.9Å; W211-L352 HydrophobicContact CZ3-CG 4.07Å; W211-L353 HydrophobicContact CZ3-CB 4.25Å; W211-L353 HydrophobicContact CZ3-CD1 4.22Å; W211-I356 HydrophobicContact CE3-CD1 4.5Å; W211-I356 HydrophobicContact CZ3-CD1 4.43Å; W211-P472 HydrophobicContact CB-CG 4.2Å; W211-P472 VanDerWaalsContact CD1-CD 3.49Å; W211-P472 HydrophobicContact CG-CG 4.25Å
212V97.6Very high97.6Very high1 Ų12.3 Ų2.31%0.0061%0.011CC..Hα-helixtrans-104.5-27.4-172-174.80000112.2L208 L218 V219 W222 L275 F290L208-V212 HydrophobicContact CD1-CG2 4.03Å; L208-V212 PolarHBondContact O-N 3.49Å; V212-L218 WeakPolarHBondContact O-CB 3.29Å; V212-V219 HydrophobicContact CG1-CG2 4.43Å; V212-W222 HydrophobicContact CG2-CH2 4.29Å; V212-W222 HydrophobicContact CG2-CZ2 4.01Å; V212-L275 HydrophobicContact CG1-CD2 3.82Å; V212-F290 HydrophobicContact CG1-CD1 4.48Å
213F98Very high97.6Very high1 Ų12.1 Ų2.10%0.0041%0.01CC..Hα-helixtrans-124.419-172.3-53.4-64.6000112.9T209 E215 V219 V241 L245 F290 A291 T294T209-F213 CarbonylContact O-C 2.95Å; T209-F213 VanDerWaalsContact O-CA 3.27Å; T209-F213 WeakPolarHBondContact O-CA 3.22Å; T209-F213 PolarHBondContact O-N 2.91Å; F213-E215 PolarHBondContact O-N 3.48Å; F213-V219 HydrophobicContact CD1-CG2 4.3Å; F213-V219 HydrophobicContact CE1-CG2 3.86Å; F213-V241 HydrophobicContact CD1-CG1 4.02Å; F213-V241 HydrophobicContact CE1-CG1 4.42Å; F213-L245 HydrophobicContact CB-CD1 4.27Å; F213-L245 HydrophobicContact CB-CD2 4.07Å; F213-L245 HydrophobicContact CD1-CD2 4.16Å; F213-L245 HydrophobicContact CG-CD2 3.98Å; F213-F290 AromaticContact CE2-CD1 3.93Å; F213-F290 HydrophobicContact CE2-CD1 3.93Å; F213-F290 HydrophobicContact CE2-CE1 4.15Å; F213-F290 HydrophobicContact CE2-CG 4.45Å; F213-F290 HydrophobicContact CZ-CB 4.23Å; F213-F290 AromaticContact CZ-CD1 3.65Å; F213-F290 HydrophobicContact CZ-CD1 3.65Å; F213-F290 HydrophobicContact CZ-CE1 4.31Å; F213-F290 HydrophobicContact CZ-CG 4.1Å; F213-A291 HydrophobicContact CD1-CB 3.95Å; F213-A291 HydrophobicContact CE1-CB 3.41Å; F213-A291 VanDerWaalsContact CE1-CB 3.41Å; F213-A291 VanDerWaalsContact CZ-CA 3.41Å; F213-A291 HydrophobicContact CZ-CB 3.83Å; F213-T294 HydrophobicContact CD2-CG2 3.89Å; F213-T294 HydrophobicContact CE2-CG2 4Å; F213-T294 WeakPolarHBondContact CE2-OG1 3.33Å
214G96.7Very high97.6Very high0 Ų02.7 Ų2.70%01%0.014CC..SBendtrans-70.6-18.917500000112.5R137 T209 H210R137-G214 PolarHBondContact NH1-O 2.72Å; T209-G214 PolarHBondContact O-N 3.43Å; H210-G214 PolarHBondContact O-N 3.33Å
215E96.8Very high97.4Very high1 Ų14.8 Ų4.81%0.0053%0.029CC..SBendtrans-152.8151.1177.9-149.3-76.2125.800109.3R137 S142 F213 S217 L218 N476R137-E215 HydrophobicContact CB-CG 4.12Å; R137-E215 VanDerWaalsContact CZ-CG 3.49Å; R137-E215 VanDerWaalsContact NE-CG 3.34Å; S142-E215 VanDerWaalsContact OG-CD 3.3Å; S142-E215 WeakPolarHBondContact OG-CG 3.48Å; S142-E215 PolarHBondContact OG-OE2 2.78Å; F213-E215 PolarHBondContact O-N 3.48Å; E215-S217 PolarHBondContact O-N 3.28Å; E215-S217 WeakPolarHBondContact OE2-CA 3.45Å; E215-S217 WeakPolarHBondContact OE2-CB 3.32Å; E215-S217 PolarHBondContact OE2-N 2.88Å; E215-S217 PolarHBondContact OE2-OG 2.98Å; E215-L218 HydrophobicContact CB-CD1 4.21Å; E215-L218 HydrophobicContact CB-CD2 4.46Å; E215-L218 HydrophobicContact CB-CG 4.01Å; E215-N476 HydrophobicContact CB-CB 4.43Å
216V97.3Very high97.2Very high3 Ų35.2 Ų5.22%0.0183%0.033CC..THydrogen-bonded Turntrans-74.6-22-172.9-65.70000114.4V134 I138 L218 L242V134-V216 HydrophobicContact CG1-CG1 3.26Å; I138-V216 HydrophobicContact CD1-CG1 3.95Å; I138-V216 HydrophobicContact CD1-CG2 4.11Å; I138-V216 HydrophobicContact CG1-CG1 4.26Å; I138-V216 HydrophobicContact CG1-CG2 3.68Å; V216-L218 VanDerWaalsContact C-N 3.33Å; V216-L242 HydrophobicContact CG1-CB 4.2Å
217S97.3Very high97Very high0 Ų07.2 Ų7.20%04%0.042CC..THydrogen-bonded Turntrans-74.9-21.3-179.968.70000113.5E215 V219 S220 R221 D478E215-S217 PolarHBondContact O-N 3.28Å; E215-S217 WeakPolarHBondContact OE2-CA 3.45Å; E215-S217 WeakPolarHBondContact OE2-CB 3.32Å; E215-S217 PolarHBondContact OE2-N 2.88Å; E215-S217 PolarHBondContact OE2-OG 2.98Å; S217-V219 VanDerWaalsContact C-N 3.32Å; S217-V219 PolarHBondContact O-N 3.04Å; S217-S220 WeakPolarHBondContact O-CA 3.32Å; S217-S220 VanDerWaalsContact O-CB 3.26Å; S217-S220 WeakPolarHBondContact O-CB 3.26Å; S217-S220 PolarHBondContact O-N 3.01Å; S217-R221 PolarHBondContact O-N 3.29Å; S217-D478 WeakPolarHBondContact CB-OD2 3.36Å; S217-D478 WeakPolarHBondContact OG-CB 3.33Å; S217-D478 PolarHBondContact OG-OD2 3.33Å
218L97.6Very high96.8Very high0 Ų011.3 Ų11.30%07%0.069CC..Hα-helixtrans-60.6-41.6-166.6-59.2-179.7000111.8W211 V212 E215 V216 S220 R221 W222 S470 N476W211-L218 WeakPolarHBondContact O-CD1 3.5Å; V212-L218 WeakPolarHBondContact O-CB 3.29Å; E215-L218 HydrophobicContact CB-CD1 4.21Å; E215-L218 HydrophobicContact CB-CD2 4.46Å; E215-L218 HydrophobicContact CB-CG 4.01Å; V216-L218 VanDerWaalsContact C-N 3.33Å; L218-S220 PolarHBondContact O-N 3.39Å; L218-R221 CarbonylContact O-C 3.46Å; L218-R221 WeakPolarHBondContact O-CA 3.41Å; L218-R221 PolarHBondContact O-N 3.34Å; L218-W222 PolarHBondContact O-N 3.17Å; L218-S470 WeakPolarHBondContact CD2-O 3.2Å; L218-N476 HydrophobicContact CD1-CB 3.98Å; L218-N476 HydrophobicContact CD2-CB 4.31Å
219V97.9Very high96.5Very high2 Ų218 Ų181%0.01210%0.1CC..Hα-helixtrans-57.4-39.8176175.70000111.4V212 F213 S217 W222 A223 V241 L275 A284V212-V219 HydrophobicContact CG1-CG2 4.43Å; F213-V219 HydrophobicContact CD1-CG2 4.3Å; F213-V219 HydrophobicContact CE1-CG2 3.86Å; S217-V219 VanDerWaalsContact C-N 3.32Å; S217-V219 PolarHBondContact O-N 3.04Å; V219-W222 PolarHBondContact O-N 2.77Å; V219-A223 VanDerWaalsContact O-CB 3.27Å; V219-A223 WeakPolarHBondContact O-CB 3.4Å; V219-A223 PolarHBondContact O-N 2.87Å; V219-V241 HydrophobicContact CB-CG2 3.85Å; V219-V241 HydrophobicContact CG1-CG2 4.34Å; V219-V241 HydrophobicContact CG2-CG1 4.18Å; V219-V241 HydrophobicContact CG2-CG2 3.87Å; V219-L275 HydrophobicContact CG1-CD1 4.24Å; V219-A284 HydrophobicContact CG1-CB 4.47Å
220S97.3Very high96.2Very high6 Ų619 Ų194%0.04211%0.106CC..Hα-helixtrans-64.8-40.9172.9-710000111.9S217 L218 W222 A223 V224 P232S217-S220 WeakPolarHBondContact O-CA 3.32Å; S217-S220 VanDerWaalsContact O-CB 3.26Å; S217-S220 WeakPolarHBondContact O-CB 3.26Å; S217-S220 PolarHBondContact O-N 3.01Å; L218-S220 PolarHBondContact O-N 3.39Å; S220-W222 VanDerWaalsContact C-N 3.32Å; S220-W222 PolarHBondContact O-N 3.35Å; S220-A223 CarbonylContact O-C 3.37Å; S220-A223 PolarHBondContact O-N 2.67Å; S220-A223 VanDerWaalsContact O-N 3.16Å; S220-V224 WeakPolarHBondContact O-CB 3.41Å; S220-V224 PolarHBondContact O-N 3.35Å; S220-P232 WeakPolarHBondContact CB-O 3.13Å; S220-P232 PolarHBondContact OG-O 2.95Å
221R96.8Very high96Very high8 Ų819.4 Ų19.43%0.0311%0.111CC..Hα-helixtrans-70.3-24.7178.4-58.6-48.1-175.7-175.25.1114.1S217 L218 V224 D478 F493 S496 T497S217-R221 PolarHBondContact O-N 3.29Å; L218-R221 CarbonylContact O-C 3.46Å; L218-R221 WeakPolarHBondContact O-CA 3.41Å; L218-R221 PolarHBondContact O-N 3.34Å; R221-V224 VanDerWaalsContact O-CG1 3.26Å; R221-V224 WeakPolarHBondContact O-CG1 3.47Å; R221-D478 IonicContact CZ-OD1 3.03Å; R221-D478 IonicContact CZ-OD2 3.92Å; R221-D478 VanDerWaalsContact NE-CG 3.29Å; R221-D478 IonicContact NE-OD1 2.65Å; R221-D478 PolarHBondContact NE-OD1 2.7Å; R221-D478 IonicContact NE-OD2 3.92Å; R221-D478 PolarHBondContact NE-OD2 2.98Å; R221-D478 IonicContact NH2-OD1 3.94Å; R221-D478 PolarHBondContact NH2-OD1 3.19Å; R221-D478 IonicContact NH2-OD2 3.43Å; R221-D478 PolarHBondContact NH2-OD2 2.81Å; R221-F493 HydrophobicContact CB-CE1 4.13Å; R221-F493 HydrophobicContact CB-CE2 4.47Å; R221-F493 HydrophobicContact CB-CZ 4.04Å; R221-F493 HydrophobicContact CG-CD2 4.36Å; R221-F493 HydrophobicContact CG-CE1 4.5Å; R221-F493 HydrophobicContact CG-CE2 4.09Å; R221-F493 HydrophobicContact CG-CZ 4.17Å; R221-S496 PolarHBondContact O-OG 3.17Å; R221-T497 HydrophobicContact CB-CG2 4.21Å; R221-T497 PolarHBondContact O-N 3.14Å
222W96.5Very high95.9Very high5 Ų519.5 Ų19.52%0.01911%0.112CC..Hα-helixtrans-76.4-35.4168.5-78.358.6000112.3W211 V212 L218 V219 S220 L275 L276 S496 T497 R498W211-W222 HydrophobicContact CD2-CH2 4.39Å; W211-W222 HydrophobicContact CD2-CZ2 4.16Å; W211-W222 AromaticContact CE2-CH2 3.78Å; W211-W222 AromaticContact CE2-CZ2 3.53Å; W211-W222 AromaticContact CH2-CH2 3.77Å; W211-W222 HydrophobicContact CH2-CH2 3.77Å; W211-W222 HydrophobicContact CH2-CZ2 4.38Å; W211-W222 AromaticContact CZ2-CH2 3.45Å; W211-W222 HydrophobicContact CZ2-CH2 3.45Å; W211-W222 VanDerWaalsContact CZ2-CH2 3.45Å; W211-W222 AromaticContact CZ2-CZ2 3.67Å; W211-W222 HydrophobicContact CZ2-CZ2 3.67Å; W211-W222 HydrophobicContact CZ3-CH2 4.34Å; W211-W222 AromaticContact NE1-CZ2 3.57Å; V212-W222 HydrophobicContact CG2-CH2 4.29Å; V212-W222 HydrophobicContact CG2-CZ2 4.01Å; L218-W222 PolarHBondContact O-N 3.17Å; V219-W222 PolarHBondContact O-N 2.77Å; S220-W222 VanDerWaalsContact C-N 3.32Å; S220-W222 PolarHBondContact O-N 3.35Å; W222-L275 HydrophobicContact CB-CD1 3.84Å; W222-L275 HydrophobicContact CB-CG 4.27Å; W222-L275 HydrophobicContact CD2-CD2 4.31Å; W222-L275 HydrophobicContact CD2-CG 4.4Å; W222-L275 HydrophobicContact CE3-CD2 4Å; W222-L275 HydrophobicContact CE3-CG 3.86Å; W222-L275 HydrophobicContact CZ3-CD2 4.47Å; W222-L276 HydrophobicContact CE3-CD2 4.32Å; W222-L276 HydrophobicContact CH2-CD2 4.39Å; W222-L276 HydrophobicContact CZ3-CD2 3.54Å; W222-L276 HydrophobicContact CZ3-CG 4.21Å; W222-S496 WeakPolarHBondContact CA-OG 3.3Å; W222-S496 PolarHBondContact O-OG 2.84Å; W222-T497 HydrophobicContact CG-CG2 3.94Å; W222-R498 HydrophobicContact CD2-CB 4.49Å; W222-R498 HydrophobicContact CE3-CB 4.18Å; W222-R498 WeakPolarHBondContact O-CD 3.45Å
223A96.8Very high95.7Very high0 Ų023.4 Ų23.40%013%0.134CC..Hα-helixtrans-82.9-18.1-178.400000114.1V219 S220 T280 A283 A284V219-A223 VanDerWaalsContact O-CB 3.27Å; V219-A223 WeakPolarHBondContact O-CB 3.4Å; V219-A223 PolarHBondContact O-N 2.87Å; S220-A223 CarbonylContact O-C 3.37Å; S220-A223 PolarHBondContact O-N 2.67Å; S220-A223 VanDerWaalsContact O-N 3.16Å; A223-T280 WeakPolarHBondContact CB-O 3.5Å; A223-T280 VanDerWaalsContact O-CA 3.22Å; A223-T280 WeakPolarHBondContact O-CA 3.49Å; A223-T280 PolarHBondContact O-N 3.24Å; A223-A283 HydrophobicContact CB-CB 3.79Å; A223-A284 HydrophobicContact CB-CB 4.02Å
224V96.2Very high95.6Very high13 Ų1323.7 Ų23.78%0.07914%0.135CC..  trans-59.9142-16871.30000113S220 R221 P230 F493S220-V224 WeakPolarHBondContact O-CB 3.41Å; S220-V224 PolarHBondContact O-N 3.35Å; R221-V224 VanDerWaalsContact O-CG1 3.26Å; R221-V224 WeakPolarHBondContact O-CG1 3.47Å; V224-P230 VanDerWaalsContact CA-O 3.29Å; V224-P230 WeakPolarHBondContact CA-O 3.37Å; V224-F493 HydrophobicContact CG1-CD1 3.74Å; V224-F493 HydrophobicContact CG1-CE1 4.3Å
225S95.1Very high95.5Very high44 Ų4424.2 Ų24.231%0.30814%0.138SC..  trans-136.1179.6172-169.80000109.1P230S225-P230 PolarHBondContact N-O 3.06Å; S225-P230 WeakPolarHBondContact O-CA 3.25Å; S225-P230 VanDerWaalsContact O-CB 3.3Å; S225-P230 WeakPolarHBondContact O-CB 3.31Å
226G94.1Very high95.5Very high10 Ų1026.4 Ų26.410%0.10315%0.152CC..  trans-71.1162.1174.200000114.8H229 S515G226-H229 CarbonylContact O-C 3.54Å; G226-H229 PolarHBondContact O-N 3.17Å; G226-S515 CarbonylContact C-O 3.59Å; G226-S515 VanDerWaalsContact CA-O 3.31Å; G226-S515 WeakPolarHBondContact CA-O 3.25Å; G226-S515 WeakPolarHBondContact CA-OG 3.31Å
227H94Very high95.4Very high43 Ų4330.5 Ų30.520%0.19917%0.17CC..THydrogen-bonded Turntrans-67.3148.3174.4-74.6-92000112D492 S515H227-D492 IonicContact CD2-OD2 3.94Å; H227-D492 PolarHBondContact CD2-OD2 3.25Å; H227-S515 PolarHBondContact N-OG 2.88Å; H227-S515 PolarHBondContact O-N 3.18Å
228P93.6Very high95.4Very high86 Ų8630.5 Ų30.556%0.55817%0.17SC*.THydrogen-bonded Turncis-89-0.31434.5-37.4000115.3P230P228-P230 VanDerWaalsContact O-CD 3.23Å; P228-P230 WeakPolarHBondContact O-CD 3.4Å
229H92.5Very high95.4Very high142 Ų14230.6 Ų30.666%0.65717%0.172SC*.  trans-119.965.4-176.3-58.3-49.1000111G226 G231 T280G226-H229 CarbonylContact O-C 3.54Å; G226-H229 PolarHBondContact O-N 3.17Å; H229-G231 PolarHBondContact O-N 3.04Å; H229-G231 VanDerWaalsContact O-N 3.11Å; H229-T280 WeakPolarHBondContact O-CG2 3.02Å
230P92.4Very high95.4Very high24 Ų2432.4 Ų32.416%0.15619%0.186CC..  trans-70.4-9.5-173.730.7-36.7000113.8V224 S225 P228V224-P230 VanDerWaalsContact CA-O 3.29Å; V224-P230 WeakPolarHBondContact CA-O 3.37Å; S225-P230 PolarHBondContact N-O 3.06Å; S225-P230 WeakPolarHBondContact O-CA 3.25Å; S225-P230 VanDerWaalsContact O-CB 3.3Å; S225-P230 WeakPolarHBondContact O-CB 3.31Å; P228-P230 VanDerWaalsContact O-CD 3.23Å; P228-P230 WeakPolarHBondContact O-CD 3.4Å
231G94.2Very high95.4Very high9 Ų932.3 Ų32.39%0.09319%0.185CC..  trans92.6-167.3-168.300000111.4H229 D233H229-G231 PolarHBondContact O-N 3.04Å; H229-G231 VanDerWaalsContact O-N 3.11Å; G231-D233 PolarHBondContact O-N 3.16Å
232P95.8Very high95.5Very high11 Ų1131.9 Ų31.97%0.07118%0.184CC..  trans-73.9126.1-178.424.8-28.6000112.1S220 F237 W281 A284S220-P232 WeakPolarHBondContact CB-O 3.13Å; S220-P232 PolarHBondContact OG-O 2.95Å; P232-F237 HydrophobicContact CB-CB 3.72Å; P232-F237 HydrophobicContact CB-CD1 4.36Å; P232-F237 HydrophobicContact CB-CD2 3.83Å; P232-F237 HydrophobicContact CB-CG 3.7Å; P232-W281 HydrophobicContact CB-CE3 4.16Å; P232-W281 HydrophobicContact CB-CH2 3.72Å; P232-W281 HydrophobicContact CB-CZ2 4.23Å; P232-W281 HydrophobicContact CB-CZ3 3.69Å; P232-W281 HydrophobicContact CG-CE3 4.27Å; P232-W281 HydrophobicContact CG-CZ3 4.27Å; P232-A284 HydrophobicContact CG-CB 3.33Å
233D93.7Very high95.6Very high84 Ų8434.7 Ų34.745%0.44920%0.199SC..  trans-59.8139.5169.8-82.2-40.4000111.6G231 N235 F237G231-D233 PolarHBondContact O-N 3.16Å; D233-N235 PolarHBondContact O-N 3.07Å; D233-N235 VanDerWaalsContact O-N 3.09Å; D233-F237 VanDerWaalsContact O-CB 3.31Å; D233-F237 WeakPolarHBondContact O-CB 3.49Å; D233-F237 WeakPolarHBondContact O-CD2 3.4Å; D233-F237 PolarHBondContact O-N 2.89Å
234P95.4Very high95.7Very high7 Ų735.9 Ų35.95%0.04521%0.207CC..Hα-helixtrans-51.2-35.5176.6-31.837.2000114.8G238 M481P234-G238 WeakPolarHBondContact O-CA 3.43Å; P234-G238 PolarHBondContact O-N 3.25Å; P234-M481 HydrophobicContact CB-SD 3.7Å
235N95.4Very high95.8Very high10 Ų1035.9 Ų35.95%0.05321%0.206CC..Hα-helixtrans-120.3110.8176.6-17313.7000109.3D233 L408 R411 H412 M481 E485D233-N235 PolarHBondContact O-N 3.07Å; D233-N235 VanDerWaalsContact O-N 3.09Å; N235-L408 HydrophobicContact CB-CD2 4.38Å; N235-L408 PolarHBondContact OD1-O 3.46Å; N235-L408 VanDerWaalsContact OD1-O 3.07Å; N235-R411 WeakPolarHBondContact ND2-CB 3.34Å; N235-H412 PolarHBondContact ND2-N 2.97Å; N235-H412 PolarHBondContact O-ND1 3.17Å; N235-M481 HydrophobicContact CB-SD 4.06Å; N235-E485 PolarHBondContact ND2-OE1 2.88Å
236P95Very high95.9Very high47 Ų4733.8 Ų33.831%0.30519%0.192SC..Hα-helixcis-101.3-1.120.837.6-34.5000116G238 G239P236-G238 VanDerWaalsContact C-N 3.27Å; P236-G238 PolarHBondContact O-N 3.44Å; P236-G239 PolarHBondContact O-N 3.15Å
237F95.5Very high96Very high89 Ų8935.5 Ų35.539%0.3920%0.202SC..Hα-helixtrans-70.5-15.4-167.1-65.8-81000115.2P232 D233 G239 A240 W281P232-F237 HydrophobicContact CB-CB 3.72Å; P232-F237 HydrophobicContact CB-CD1 4.36Å; P232-F237 HydrophobicContact CB-CD2 3.83Å; P232-F237 HydrophobicContact CB-CG 3.7Å; D233-F237 VanDerWaalsContact O-CB 3.31Å; D233-F237 WeakPolarHBondContact O-CB 3.49Å; D233-F237 WeakPolarHBondContact O-CD2 3.4Å; D233-F237 PolarHBondContact O-N 2.89Å; F237-G239 PolarHBondContact O-N 3.41Å; F237-A240 VanDerWaalsContact O-CB 3.3Å; F237-A240 WeakPolarHBondContact O-CB 3.46Å; F237-A240 PolarHBondContact O-N 2.88Å; F237-W281 HydrophobicContact CD1-CH2 4.06Å; F237-W281 HydrophobicContact CD1-CZ3 4.09Å; F237-W281 HydrophobicContact CD2-CH2 4.28Å; F237-W281 AromaticContact CE1-CH2 3.63Å; F237-W281 HydrophobicContact CE1-CH2 3.63Å; F237-W281 AromaticContact CE1-CZ3 3.92Å; F237-W281 HydrophobicContact CE1-CZ3 3.92Å; F237-W281 AromaticContact CE2-CH2 3.86Å; F237-W281 HydrophobicContact CE2-CH2 3.86Å; F237-W281 HydrophobicContact CG-CH2 4.38Å; F237-W281 AromaticContact CZ-CH2 3.54Å; F237-W281 HydrophobicContact CZ-CH2 3.54Å; F237-W281 HydrophobicContact CZ-CZ2 4.49Å; F237-W281 HydrophobicContact CZ-CZ3 4.3Å
238G96.8Very high96.1Very high0 Ų033.4 Ų33.40%019%0.193CC..Hα-helixtrans-55-22.2166.300000113P234 P236 A240 V241 L242P234-G238 WeakPolarHBondContact O-CA 3.43Å; P234-G238 PolarHBondContact O-N 3.25Å; P236-G238 VanDerWaalsContact C-N 3.27Å; P236-G238 PolarHBondContact O-N 3.44Å; G238-A240 VanDerWaalsContact C-N 3.28Å; G238-A240 PolarHBondContact O-N 2.85Å; G238-V241 WeakPolarHBondContact O-CB 3.31Å; G238-V241 PolarHBondContact O-N 3Å; G238-L242 PolarHBondContact O-N 3.21Å; G238-L242 VanDerWaalsContact O-N 3.07Å
239G97.8Very high96.1Very high3 Ų329.7 Ų29.73%0.03117%0.168CC..Hα-helixtrans-62.5-32.3171.700000113.4P236 F237 L242 L243 L408P236-G239 PolarHBondContact O-N 3.15Å; F237-G239 PolarHBondContact O-N 3.41Å; G239-L242 PolarHBondContact O-N 3.22Å; G239-L243 WeakPolarHBondContact O-CB 3.39Å; G239-L243 VanDerWaalsContact O-CG 3.3Å; G239-L243 WeakPolarHBondContact O-CG 3.33Å; G239-L243 PolarHBondContact O-N 3.35Å; G239-L408 VanDerWaalsContact CA-CD1 3.4Å
240A98.2Very high96Very high39 Ų3924.5 Ų24.532%0.32214%0.144SC..Hα-helixtrans-66.8-40.3174.700000111.3F237 G238 L243 C244F237-A240 VanDerWaalsContact O-CB 3.3Å; F237-A240 WeakPolarHBondContact O-CB 3.46Å; F237-A240 PolarHBondContact O-N 2.88Å; G238-A240 VanDerWaalsContact C-N 3.28Å; G238-A240 PolarHBondContact O-N 2.85Å; A240-L243 PolarHBondContact O-N 3.35Å; A240-C244 WeakPolarHBondContact O-CB 3.3Å; A240-C244 PolarHBondContact O-N 3.25Å; A240-C244 PolarHBondContact O-SG 2.95Å
241V98.4Very high95.7Very high4 Ų425.6 Ų25.62%0.02415%0.149CC..Hα-helixtrans-62.4-46.5174.6-177.80000110.3F213 V219 G238 L243 C244 L245 A291F213-V241 HydrophobicContact CD1-CG1 4.02Å; F213-V241 HydrophobicContact CE1-CG1 4.42Å; V219-V241 HydrophobicContact CB-CG2 3.85Å; V219-V241 HydrophobicContact CG1-CG2 4.34Å; V219-V241 HydrophobicContact CG2-CG1 4.18Å; V219-V241 HydrophobicContact CG2-CG2 3.87Å; G238-V241 WeakPolarHBondContact O-CB 3.31Å; G238-V241 PolarHBondContact O-N 3Å; V241-L243 PolarHBondContact O-N 2.85Å; V241-C244 PolarHBondContact O-N 3.3Å; V241-C244 VanDerWaalsContact O-N 3.17Å; V241-L245 HydrophobicContact CG1-CD1 4.27Å; V241-L245 HydrophobicContact CG1-CG 4.49Å; V241-L245 WeakPolarHBondContact O-CG 3.45Å; V241-L245 PolarHBondContact O-N 3.39Å; V241-A291 HydrophobicContact CG1-CB 4.42Å
242L98.6Very high95Very high0 Ų026.3 Ų26.30%015%0.151CC..Hα-helixtrans-59.5-44.4176.9-178.561.9000112.3I131 V134 V135 I138 V216 G238 G239 C244 L245 A246 V401I131-L242 HydrophobicContact CG2-CD1 4.3Å; V134-L242 HydrophobicContact CG1-CD1 4.27Å; V135-L242 HydrophobicContact CG2-CD1 4.21Å; V135-L242 HydrophobicContact CG2-CD2 4.16Å; I138-L242 HydrophobicContact CD1-CD2 3.83Å; V216-L242 HydrophobicContact CG1-CB 4.2Å; G238-L242 PolarHBondContact O-N 3.21Å; G238-L242 VanDerWaalsContact O-N 3.07Å; G239-L242 PolarHBondContact O-N 3.22Å; L242-C244 VanDerWaalsContact C-N 3.33Å; L242-C244 PolarHBondContact O-N 2.82Å; L242-L245 PolarHBondContact O-N 2.93Å; L242-A246 WeakPolarHBondContact O-CB 3.45Å; L242-A246 PolarHBondContact O-N 2.94Å; L242-V401 HydrophobicContact CG-CG2 4.35Å
243L98.5Very high93.7Very high64 Ų6427.8 Ų27.834%0.33517%0.165SC..Hα-helixtrans-61.5-41.1175.3-78166.4000111.9G239 A240 V241 A246 S247 W398 V401 L405G239-L243 WeakPolarHBondContact O-CB 3.39Å; G239-L243 VanDerWaalsContact O-CG 3.3Å; G239-L243 WeakPolarHBondContact O-CG 3.33Å; G239-L243 PolarHBondContact O-N 3.35Å; A240-L243 PolarHBondContact O-N 3.35Å; V241-L243 PolarHBondContact O-N 2.85Å; L243-A246 PolarHBondContact O-N 3.24Å; L243-S247 VanDerWaalsContact O-CB 3.27Å; L243-S247 WeakPolarHBondContact O-CB 3.31Å; L243-S247 PolarHBondContact O-N 3.3Å; L243-S247 PolarHBondContact O-OG 2.86Å; L243-W398 HydrophobicContact CD2-CZ3 3.98Å; L243-V401 HydrophobicContact CD2-CG1 3.66Å; L243-V401 HydrophobicContact CG-CG1 4.33Å; L243-L405 HydrophobicContact CD1-CD1 4.32Å; L243-L405 HydrophobicContact CD1-CD2 4.38Å; L243-L405 HydrophobicContact CD2-CD1 4.17Å; L243-L405 HydrophobicContact CG-CD1 4.31Å; L243-L405 HydrophobicContact CG-CD2 4.48Å
244C98.5Very high92.3Very high25 Ų2526.9 Ų26.917%0.16916%0.164CC..Hα-helixtrans-67-43.5178.4-720000112.1A240 V241 L242 S247 G248 C288 A291 V292A240-C244 WeakPolarHBondContact O-CB 3.3Å; A240-C244 PolarHBondContact O-N 3.25Å; A240-C244 PolarHBondContact O-SG 2.95Å; V241-C244 PolarHBondContact O-N 3.3Å; V241-C244 VanDerWaalsContact O-N 3.17Å; L242-C244 VanDerWaalsContact C-N 3.33Å; L242-C244 PolarHBondContact O-N 2.82Å; C244-S247 PolarHBondContact O-N 2.84Å; C244-G248 PolarHBondContact O-N 3.03Å; C244-C288 WeakPolarHBondContact CB-O 3.31Å; C244-A291 HydrophobicContact CB-CB 3.82Å; C244-V292 HydrophobicContact CB-CG2 3.63Å
245L98.4Very high90.6Very high12 Ų1231 Ų316%0.06319%0.193CC..Hα-helixtrans-59.4-48174-69.9171.8000111.3I131 F213 V241 L242 S247 G248 L249 A291 A295I131-L245 HydrophobicContact CD1-CB 4.42Å; F213-L245 HydrophobicContact CB-CD1 4.27Å; F213-L245 HydrophobicContact CB-CD2 4.07Å; F213-L245 HydrophobicContact CD1-CD2 4.16Å; F213-L245 HydrophobicContact CG-CD2 3.98Å; V241-L245 HydrophobicContact CG1-CD1 4.27Å; V241-L245 HydrophobicContact CG1-CG 4.49Å; V241-L245 WeakPolarHBondContact O-CG 3.45Å; V241-L245 PolarHBondContact O-N 3.39Å; L242-L245 PolarHBondContact O-N 2.93Å; L245-S247 PolarHBondContact O-N 2.87Å; L245-G248 PolarHBondContact O-N 3.16Å; L245-L249 PolarHBondContact O-N 2.91Å; L245-L249 VanDerWaalsContact O-N 3.16Å; L245-A291 HydrophobicContact CD2-CB 3.94Å; L245-A291 HydrophobicContact CG-CB 4.14Å; L245-A295 HydrophobicContact CB-CB 4.48Å; L245-A295 HydrophobicContact CD2-CB 4.11Å; L245-A295 WeakPolarHBondContact O-CB 3.5Å
246A97.8Very high88.9Confident0 Ų041.3 Ų41.30%023%0.232CC..Hα-helixtrans-63.3-41.417800000112.2L242 L243 L249 M250 L397 W398 V401L242-A246 WeakPolarHBondContact O-CB 3.45Å; L242-A246 PolarHBondContact O-N 2.94Å; L243-A246 PolarHBondContact O-N 3.24Å; A246-L249 PolarHBondContact O-N 3.13Å; A246-M250 WeakPolarHBondContact O-CG 3.35Å; A246-M250 PolarHBondContact O-N 3.34Å; A246-L397 HydrophobicContact CB-CD1 4.12Å; A246-L397 HydrophobicContact CB-CD2 4.16Å; A246-L397 HydrophobicContact CB-CG 4.1Å; A246-W398 HydrophobicContact CB-CH2 4.36Å; A246-W398 HydrophobicContact CB-CZ3 4.39Å; A246-V401 HydrophobicContact CB-CG2 3.43Å; A246-V401 VanDerWaalsContact CB-CG2 3.43Å
247S96.5Very high87.4Confident46 Ų4640.4 Ų40.432%0.32222%0.223SC..Hα-helixtrans-64.5-41.8177.3-59.70000111.8L243 C244 L245 L249 M250 L251L243-S247 VanDerWaalsContact O-CB 3.27Å; L243-S247 WeakPolarHBondContact O-CB 3.31Å; L243-S247 PolarHBondContact O-N 3.3Å; L243-S247 PolarHBondContact O-OG 2.86Å; C244-S247 PolarHBondContact O-N 2.84Å; L245-S247 PolarHBondContact O-N 2.87Å; S247-L249 VanDerWaalsContact C-N 3.32Å; S247-L249 PolarHBondContact O-N 3.06Å; S247-M250 WeakPolarHBondContact O-CB 3.16Å; S247-M250 PolarHBondContact O-N 2.86Å; S247-L251 PolarHBondContact O-N 3.25Å
248G95.1Very high85.6Confident0 Ų044.3 Ų44.30%024%0.235CC..Hα-helixtrans-58.8-41.1175.500000112.7C244 L245 M250 L251 P252 V292 S296C244-G248 PolarHBondContact O-N 3.03Å; L245-G248 PolarHBondContact O-N 3.16Å; G248-M250 PolarHBondContact O-N 3.47Å; G248-L251 PolarHBondContact O-N 3.34Å; G248-P252 VanDerWaalsContact O-CD 3.27Å; G248-P252 WeakPolarHBondContact O-CD 3.46Å; G248-V292 WeakPolarHBondContact CA-O 3.5Å; G248-S296 WeakPolarHBondContact O-CA 3.3Å; G248-S296 WeakPolarHBondContact O-CB 3.3Å
249L93.7Very high83.6Confident8 Ų847.9 Ų47.94%0.04227%0.272CS..Hα-helixtrans-63.3-22.3174-70.1175.3000113.7W124 I127 I131 L245 A246 S247 A295 W298 L397W124-L249 HydrophobicContact CZ3-CD2 4.49Å; I127-L249 HydrophobicContact CG2-CD1 3.78Å; I127-L249 HydrophobicContact CG2-CD2 3.56Å; I127-L249 HydrophobicContact CG2-CG 4.34Å; I131-L249 HydrophobicContact CD1-CD1 4.26Å; I131-L249 HydrophobicContact CG1-CD1 4.19Å; L245-L249 PolarHBondContact O-N 2.91Å; L245-L249 VanDerWaalsContact O-N 3.16Å; A246-L249 PolarHBondContact O-N 3.13Å; S247-L249 VanDerWaalsContact C-N 3.32Å; S247-L249 PolarHBondContact O-N 3.06Å; L249-A295 HydrophobicContact CD2-CB 4.47Å; L249-A295 WeakPolarHBondContact CD2-O 3.47Å; L249-A295 HydrophobicContact CG-CB 4.18Å; L249-W298 HydrophobicContact CD2-CB 4.24Å; L249-L397 HydrophobicContact CB-CD2 4.15Å; L249-L397 HydrophobicContact CD1-CD1 4.11Å; L249-L397 HydrophobicContact CD1-CD2 4.19Å
250M90.2Very high81.8Confident32 Ų3249 Ų4916%0.15828%0.281CS..Hα-helixtrans-84.8-24.6177.2-60.7-60.689.600113.3A246 S247 G248 A253 K394 L397 W398A246-M250 WeakPolarHBondContact O-CG 3.35Å; A246-M250 PolarHBondContact O-N 3.34Å; S247-M250 WeakPolarHBondContact O-CB 3.16Å; S247-M250 PolarHBondContact O-N 2.86Å; G248-M250 PolarHBondContact O-N 3.47Å; M250-A253 WeakPolarHBondContact O-CB 3.46Å; M250-A253 PolarHBondContact O-N 3.31Å; M250-K394 HydrophobicContact CE-CG 3.92Å; M250-K394 HydrophobicContact SD-CB 4.21Å; M250-K394 HydrophobicContact SD-CD 3.93Å; M250-K394 HydrophobicContact SD-CG 3.63Å; M250-L397 HydrophobicContact CE-CD2 3.35Å; M250-L397 HydrophobicContact SD-CD2 4.29Å; M250-W398 HydrophobicContact CG-CZ2 4.17Å
251L86.1Confident80.9Confident48 Ų4848.8 Ų48.825%0.25128%0.282SS..G310 helixtrans-59.7-40.2-174.5-70178.7000114.8S247 G248 A253 C254 F257 W264 V292S247-L251 PolarHBondContact O-N 3.25Å; G248-L251 PolarHBondContact O-N 3.34Å; L251-A253 PolarHBondContact O-N 3.11Å; L251-A253 VanDerWaalsContact O-N 3.07Å; L251-C254 VanDerWaalsContact O-CB 3.31Å; L251-C254 WeakPolarHBondContact O-CB 3.31Å; L251-C254 PolarHBondContact O-N 2.64Å; L251-F257 HydrophobicContact CB-CD2 4.25Å; L251-F257 HydrophobicContact CB-CE2 4.31Å; L251-F257 HydrophobicContact CB-CG 4.48Å; L251-F257 HydrophobicContact CD1-CE2 4.4Å; L251-F257 WeakPolarHBondContact O-CB 3.44Å; L251-W264 HydrophobicContact CD1-CH2 4.04Å; L251-W264 HydrophobicContact CD1-CZ2 3.78Å; L251-V292 HydrophobicContact CD1-CG1 3.35Å; L251-V292 HydrophobicContact CG-CG1 4.41Å
252P79.3Confident80.3Confident23 Ų2353.1 Ų53.115%0.14931%0.305CS..G310 helixtrans-59.3-23179.4-28.437.7000114.4G248 C254 F257 S296 P299G248-P252 VanDerWaalsContact O-CD 3.27Å; G248-P252 WeakPolarHBondContact O-CD 3.46Å; P252-C254 VanDerWaalsContact C-N 3.28Å; P252-C254 PolarHBondContact O-N 3.43Å; P252-F257 HydrophobicContact CG-CE1 4.3Å; P252-S296 WeakPolarHBondContact CG-O 3.45Å; P252-P299 HydrophobicContact CG-CG 4.22Å
253A68.7Low79.9Confident42 Ų4259.1 Ų59.135%0.34734%0.335SS..G310 helixtrans-74.5-17.8176.200000113.1M250 L251M250-A253 WeakPolarHBondContact O-CB 3.46Å; M250-A253 PolarHBondContact O-N 3.31Å; L251-A253 PolarHBondContact O-N 3.11Å; L251-A253 VanDerWaalsContact O-N 3.07Å
254C65Low79.5Confident65 Ų6558.2 Ų58.244%0.43933%0.328SS..SBendtrans-77.2135.8-179.6-64.80000111.4L251 P252 W256 F257L251-C254 VanDerWaalsContact O-CB 3.31Å; L251-C254 WeakPolarHBondContact O-CB 3.31Å; L251-C254 PolarHBondContact O-N 2.64Å; P252-C254 VanDerWaalsContact C-N 3.28Å; P252-C254 PolarHBondContact O-N 3.43Å; C254-W256 PolarHBondContact O-N 3.09Å; C254-F257 HydrophobicContact CB-CB 4.46Å; C254-F257 PolarHBondContact O-N 3.11Å
255S59.8Low79.3Confident93 Ų9360 Ų6065%0.6533%0.331SS*.SBendtrans-63.4-37.3-179.748.20000113.5F257 R258S255-F257 VanDerWaalsContact C-N 3.32Å; S255-F257 PolarHBondContact O-N 3.38Å; S255-R258 PolarHBondContact O-N 3.44Å
256W58.9Low79.1Confident228 Ų22863.1 Ų63.186%0.86435%0.35SS*.G310 helixtrans-65.3-32.5179.8-177.113000113.1C254 R258 G259C254-W256 PolarHBondContact O-N 3.09Å; W256-R258 PolarHBondContact O-N 3.31Å; W256-R258 VanDerWaalsContact O-N 3.12Å; W256-G259 PolarHBondContact O-N 2.99Å
257F63.7Low79Confident27 Ų2765.6 Ų65.612%0.11837%0.365CS..G310 helixtrans-64-21.3-178.9-167.7-107.8000113.4L251 P252 C254 S255 G259 W264 M297L251-F257 HydrophobicContact CB-CD2 4.25Å; L251-F257 HydrophobicContact CB-CE2 4.31Å; L251-F257 HydrophobicContact CB-CG 4.48Å; L251-F257 HydrophobicContact CD1-CE2 4.4Å; L251-F257 WeakPolarHBondContact O-CB 3.44Å; P252-F257 HydrophobicContact CG-CE1 4.3Å; C254-F257 HydrophobicContact CB-CB 4.46Å; C254-F257 PolarHBondContact O-N 3.11Å; S255-F257 VanDerWaalsContact C-N 3.32Å; S255-F257 PolarHBondContact O-N 3.38Å; F257-G259 VanDerWaalsContact C-N 3.25Å; F257-G259 PolarHBondContact O-N 2.84Å; F257-W264 AromaticContact CE2-CD1 3.48Å; F257-W264 VanDerWaalsContact CE2-CD1 3.48Å; F257-W264 AromaticContact CE2-CD2 3.85Å; F257-W264 HydrophobicContact CE2-CD2 3.85Å; F257-W264 AromaticContact CE2-CE2 3.63Å; F257-W264 AromaticContact CE2-CG 3.75Å; F257-W264 HydrophobicContact CE2-CG 3.75Å; F257-W264 HydrophobicContact CE2-CZ2 4.32Å; F257-W264 AromaticContact CE2-NE1 3.38Å; F257-W264 AromaticContact CZ-CD1 3.46Å; F257-W264 VanDerWaalsContact CZ-CD1 3.46Å; F257-W264 HydrophobicContact CZ-CG 4.18Å; F257-W264 AromaticContact CZ-NE1 3.37Å; F257-M297 HydrophobicContact CE1-CE 4.36Å; F257-M297 HydrophobicContact CZ-CE 3.86Å
258R57.9Low79Confident172 Ų17263.4 Ų63.465%0.64935%0.35SS*.G310 helixtrans-70.3-13.6-176-70.1-178.9-113.4-171.2-2.7114.9S255 W256S255-R258 PolarHBondContact O-N 3.44Å; W256-R258 PolarHBondContact O-N 3.31Å; W256-R258 VanDerWaalsContact O-N 3.12Å
259G54.8Low79.1Confident75 Ų7565.5 Ų65.577%0.77336%0.363SS*.G310 helixtrans-113.4-5.8-178.500000115.6W256 F257W256-G259 PolarHBondContact O-N 2.99Å; F257-G259 VanDerWaalsContact C-N 3.25Å; F257-G259 PolarHBondContact O-N 2.84Å
260A60.5Low79.4Confident26 Ų2668.1 Ų68.122%0.21539%0.386CS..  trans-98.518.5-167.800000114.6L262 I263 W264A260-L262 PolarHBondContact O-N 3.36Å; A260-I263 PolarHBondContact O-N 2.92Å; A260-W264 WeakPolarHBondContact O-CB 3.46Å; A260-W264 PolarHBondContact O-N 3.27Å
261G79.3Confident79.7Confident34 Ų3467 Ų6735%0.35138%0.38SS..Hα-helixtrans-51.9-48.5-164.300000115.6W265 M364G261-W265 WeakPolarHBondContact O-CB 3.39Å; G261-W265 PolarHBondContact O-N 3.34Å; G261-M364 WeakPolarHBondContact O-CE 3.46Å
262L85.4Confident80.3Confident96 Ų9664.7 Ų64.750%0.50337%0.369SS..Hα-helixtrans-71.7-45.7-179.7-175.368.2000112.2A260 W264 W265 V266 L365A260-L262 PolarHBondContact O-N 3.36Å; L262-W264 VanDerWaalsContact C-N 3.28Å; L262-W264 PolarHBondContact O-N 3.45Å; L262-W265 HydrophobicContact CD1-CE3 3.95Å; L262-W265 HydrophobicContact CD1-CZ3 4.38Å; L262-W265 PolarHBondContact O-N 3.21Å; L262-V266 WeakPolarHBondContact O-CG2 3.19Å; L262-V266 PolarHBondContact O-N 3.46Å; L262-L365 HydrophobicContact CD1-CD2 4.45Å
263I89.3Confident81.2Confident125 Ų12565.7 Ų65.764%0.64138%0.379SS*.Hα-helixtrans-60.4-42.8178.8-64170.9000109.7A260 V266 T267A260-I263 PolarHBondContact O-N 2.92Å; I263-V266 PolarHBondContact O-N 3.44Å; I263-T267 PolarHBondContact O-N 3.49Å; I263-T267 PolarHBondContact O-OG1 3.48Å
264W91.4Very high82.6Confident46 Ų4664 Ų6417%0.17437%0.366CS..Hα-helixtrans-65.9-39.3178.5-170.5-120.8000112.7L251 F257 A260 L262 T267 G268 V292 F293 S296L251-W264 HydrophobicContact CD1-CH2 4.04Å; L251-W264 HydrophobicContact CD1-CZ2 3.78Å; F257-W264 AromaticContact CE2-CD1 3.48Å; F257-W264 VanDerWaalsContact CE2-CD1 3.48Å; F257-W264 AromaticContact CE2-CD2 3.85Å; F257-W264 HydrophobicContact CE2-CD2 3.85Å; F257-W264 AromaticContact CE2-CE2 3.63Å; F257-W264 AromaticContact CE2-CG 3.75Å; F257-W264 HydrophobicContact CE2-CG 3.75Å; F257-W264 HydrophobicContact CE2-CZ2 4.32Å; F257-W264 AromaticContact CE2-NE1 3.38Å; F257-W264 AromaticContact CZ-CD1 3.46Å; F257-W264 VanDerWaalsContact CZ-CD1 3.46Å; F257-W264 HydrophobicContact CZ-CG 4.18Å; F257-W264 AromaticContact CZ-NE1 3.37Å; A260-W264 WeakPolarHBondContact O-CB 3.46Å; A260-W264 PolarHBondContact O-N 3.27Å; L262-W264 VanDerWaalsContact C-N 3.28Å; L262-W264 PolarHBondContact O-N 3.45Å; W264-T267 HydrophobicContact CE3-CG2 4.4Å; W264-T267 HydrophobicContact CZ3-CG2 4.21Å; W264-T267 PolarHBondContact O-N 2.97Å; W264-G268 PolarHBondContact O-N 2.93Å; W264-V292 HydrophobicContact CH2-CG1 3.88Å; W264-V292 HydrophobicContact CZ2-CG1 3.97Å; W264-F293 AromaticContact CD1-CD2 3.69Å; W264-F293 AromaticContact CD1-CE2 3.9Å; W264-F293 HydrophobicContact CD2-CD2 4.32Å; W264-F293 AromaticContact CE2-CD2 3.85Å; W264-F293 HydrophobicContact CG-CD2 4.25Å; W264-F293 HydrophobicContact CZ2-CB 4.14Å; W264-F293 HydrophobicContact CZ2-CD2 4.47Å; W264-F293 AromaticContact NE1-CD2 3.43Å; W264-F293 WeakPolarHBondContact O-CD2 3.26Å; W264-S296 PolarHBondContact NE1-OG 2.9Å
265W93.2Very high84.1Confident63 Ų6361 Ų6124%0.23935%0.345CS..Hα-helixtrans-63.6-42.2172.4174.774.6000112.5G261 L262 T267 G268 T269 L357 G361 M364G261-W265 WeakPolarHBondContact O-CB 3.39Å; G261-W265 PolarHBondContact O-N 3.34Å; L262-W265 HydrophobicContact CD1-CE3 3.95Å; L262-W265 HydrophobicContact CD1-CZ3 4.38Å; L262-W265 PolarHBondContact O-N 3.21Å; W265-T267 VanDerWaalsContact C-N 3.34Å; W265-G268 PolarHBondContact O-N 3.15Å; W265-T269 WeakPolarHBondContact O-CB 3.29Å; W265-T269 PolarHBondContact O-N 3.35Å; W265-T269 PolarHBondContact O-OG1 3.03Å; W265-L357 PolarHBondContact NE1-O 3.33Å; W265-G361 VanDerWaalsContact NE1-CA 3.32Å; W265-M364 HydrophobicContact CB-CE 4.28Å; W265-M364 HydrophobicContact CB-SD 4.12Å
266V95.5Very high85.8Confident77 Ų7757.7 Ų57.747%0.46732%0.32SS..Hα-helixtrans-61.2-44.2174.3171.50000110.5L262 I263 T269 A270L262-V266 WeakPolarHBondContact O-CG2 3.19Å; L262-V266 PolarHBondContact O-N 3.46Å; I263-V266 PolarHBondContact O-N 3.44Å; V266-T269 PolarHBondContact O-N 3.42Å; V266-A270 WeakPolarHBondContact O-CB 3.26Å; V266-A270 PolarHBondContact O-N 2.92Å
267T95.6Very high87.6Confident52 Ų5254 Ų5432%0.31931%0.307SS..Hα-helixtrans-60.5-46175.1-58.90000111.8I263 W264 W265 T269 A270 S271 V289I263-T267 PolarHBondContact O-N 3.49Å; I263-T267 PolarHBondContact O-OG1 3.48Å; W264-T267 HydrophobicContact CE3-CG2 4.4Å; W264-T267 HydrophobicContact CZ3-CG2 4.21Å; W264-T267 PolarHBondContact O-N 2.97Å; W265-T267 VanDerWaalsContact C-N 3.34Å; T267-T269 VanDerWaalsContact C-N 3.33Å; T267-T269 PolarHBondContact O-N 3.41Å; T267-A270 PolarHBondContact O-N 3.46Å; T267-S271 VanDerWaalsContact O-CB 3.32Å; T267-S271 WeakPolarHBondContact O-CB 3.3Å; T267-S271 PolarHBondContact O-N 3.29Å; T267-S271 PolarHBondContact O-OG 3.27Å; T267-V289 HydrophobicContact CG2-CG1 3.92Å
268G96.6Very high89.2Confident0 Ų056.2 Ų56.20%032%0.32CS..Hα-helixtrans-58.5-45.4175.600000111.9W264 W265 S271 A272W264-G268 PolarHBondContact O-N 2.93Å; W265-G268 PolarHBondContact O-N 3.15Å; G268-S271 WeakPolarHBondContact CA-OG 3.32Å; G268-S271 PolarHBondContact O-N 2.87Å; G268-S271 PolarHBondContact O-OG 3.44Å; G268-A272 WeakPolarHBondContact O-CB 3.41Å; G268-A272 PolarHBondContact O-N 3.04Å
269T97.4Very high90.9Very high44 Ų4452.8 Ų52.827%0.2731%0.311SS..Hα-helixtrans-66.5-44.2179.4-55.60000112.4W265 V266 T267 S271 A272 A273 L357W265-T269 WeakPolarHBondContact O-CB 3.29Å; W265-T269 PolarHBondContact O-N 3.35Å; W265-T269 PolarHBondContact O-OG1 3.03Å; V266-T269 PolarHBondContact O-N 3.42Å; T267-T269 VanDerWaalsContact C-N 3.33Å; T267-T269 PolarHBondContact O-N 3.41Å; T269-S271 VanDerWaalsContact C-N 3.31Å; T269-S271 PolarHBondContact O-N 3.11Å; T269-A272 PolarHBondContact O-N 3.25Å; T269-A273 PolarHBondContact O-N 2.97Å; T269-L357 HydrophobicContact CG2-CD1 4.22Å
270A98.2Very high92.8Very high63 Ų6350.8 Ų50.852%0.52128%0.284SS..Hα-helixtrans-62.5-39.1175.200000111.7V266 T267 A273 G274V266-A270 WeakPolarHBondContact O-CB 3.26Å; V266-A270 PolarHBondContact O-N 2.92Å; T267-A270 PolarHBondContact O-N 3.46Å; A270-A273 PolarHBondContact O-N 3.03Å; A270-G274 PolarHBondContact O-N 2.56Å
271S98.4Very high94.6Very high7 Ų755.4 Ų55.45%0.04930%0.296CS..Hα-helixtrans-68.3-35.3177.471.50000112.9T267 G268 T269 G274 L275 S286 F290T267-S271 VanDerWaalsContact O-CB 3.32Å; T267-S271 WeakPolarHBondContact O-CB 3.3Å; T267-S271 PolarHBondContact O-N 3.29Å; T267-S271 PolarHBondContact O-OG 3.27Å; G268-S271 WeakPolarHBondContact CA-OG 3.32Å; G268-S271 PolarHBondContact O-N 2.87Å; G268-S271 PolarHBondContact O-OG 3.44Å; T269-S271 VanDerWaalsContact C-N 3.31Å; T269-S271 PolarHBondContact O-N 3.11Å; S271-G274 PolarHBondContact O-N 3.35Å; S271-L275 PolarHBondContact O-N 2.95Å; S271-S286 WeakPolarHBondContact CB-O 3.49Å; S271-S286 WeakPolarHBondContact O-CB 3.49Å; S271-F290 WeakPolarHBondContact OG-CA 3.48Å; S271-F290 WeakPolarHBondContact OG-CB 3.24Å; S271-F290 PolarHBondContact OG-N 3.44Å
272A98Very high95.4Very high1 Ų156.1 Ų56.11%0.00830%0.298CS..Hα-helixtrans-67.7-44.2173.500000112.1G268 T269 G274 L275 L276 F290 L353 L357G268-A272 WeakPolarHBondContact O-CB 3.41Å; G268-A272 PolarHBondContact O-N 3.04Å; T269-A272 PolarHBondContact O-N 3.25Å; A272-G274 VanDerWaalsContact C-N 3.29Å; A272-G274 PolarHBondContact O-N 3.26Å; A272-L275 PolarHBondContact O-N 2.77Å; A272-L276 PolarHBondContact O-N 3.27Å; A272-L276 VanDerWaalsContact O-N 3.11Å; A272-F290 HydrophobicContact CB-CD1 4.38Å; A272-F290 HydrophobicContact CB-CD2 4.02Å; A272-F290 HydrophobicContact CB-CE1 4.13Å; A272-F290 HydrophobicContact CB-CE2 3.82Å; A272-F290 HydrophobicContact CB-CG 4.32Å; A272-F290 HydrophobicContact CB-CZ 3.85Å; A272-L353 HydrophobicContact CB-CD2 3.79Å; A272-L353 HydrophobicContact CB-CG 4.19Å; A272-L357 HydrophobicContact CB-CD1 3.51Å
273A97.8Very high96Very high43 Ų4351.5 Ų51.536%0.35527%0.274SS..Hα-helixtrans-61.5-39.4171.800000111.4T269 A270 L275 L276 Y277T269-A273 PolarHBondContact O-N 2.97Å; A270-A273 PolarHBondContact O-N 3.03Å; A273-L275 VanDerWaalsContact C-N 3.35Å; A273-L275 PolarHBondContact O-N 2.86Å; A273-L276 PolarHBondContact O-N 3.16Å; A273-Y277 HydrophobicContact CB-CD2 4.39Å; A273-Y277 VanDerWaalsContact O-CD2 3.3Å; A273-Y277 WeakPolarHBondContact O-CD2 3.34Å; A273-Y277 PolarHBondContact O-N 3.49Å
274G98.1Very high96.4Very high8 Ų846 Ų468%0.08225%0.247CC..Hα-helixtrans-59.4-42.6174.400000112.7A270 S271 A272 L276 L278A270-G274 PolarHBondContact O-N 2.56Å; S271-G274 PolarHBondContact O-N 3.35Å; A272-G274 VanDerWaalsContact C-N 3.29Å; A272-G274 PolarHBondContact O-N 3.26Å; G274-L276 VanDerWaalsContact C-N 3.35Å; G274-L276 PolarHBondContact O-N 3.02Å; G274-L278 WeakPolarHBondContact O-CB 3.23Å; G274-L278 WeakPolarHBondContact O-CG 3.19Å; G274-L278 PolarHBondContact O-N 3.03Å
275L97.4Very high96.7Very high0 Ų049.7 Ų49.70%027%0.268CS..Hα-helixtrans-64.6-37.6175.5-176.662.3000112.4V212 V219 W222 S271 A272 A273 A283 F290 R498V212-L275 HydrophobicContact CG1-CD2 3.82Å; V219-L275 HydrophobicContact CG1-CD1 4.24Å; W222-L275 HydrophobicContact CB-CD1 3.84Å; W222-L275 HydrophobicContact CB-CG 4.27Å; W222-L275 HydrophobicContact CD2-CD2 4.31Å; W222-L275 HydrophobicContact CD2-CG 4.4Å; W222-L275 HydrophobicContact CE3-CD2 4Å; W222-L275 HydrophobicContact CE3-CG 3.86Å; W222-L275 HydrophobicContact CZ3-CD2 4.47Å; S271-L275 PolarHBondContact O-N 2.95Å; A272-L275 PolarHBondContact O-N 2.77Å; A273-L275 VanDerWaalsContact C-N 3.35Å; A273-L275 PolarHBondContact O-N 2.86Å; L275-A283 WeakPolarHBondContact CD1-O 3.35Å; L275-F290 HydrophobicContact CD2-CD1 4.27Å; L275-R498 PolarHBondContact O-NH1 3.02Å; L275-R498 VanDerWaalsContact O-NH1 3.15Å
276L95.6Very high97Very high24 Ų2447.7 Ų47.713%0.12626%0.264CS..Hα-helixtrans-72.9-40.4179.2-81.3174.1000113.8W222 A272 A273 G274 L353 R498W222-L276 HydrophobicContact CE3-CD2 4.32Å; W222-L276 HydrophobicContact CH2-CD2 4.39Å; W222-L276 HydrophobicContact CZ3-CD2 3.54Å; W222-L276 HydrophobicContact CZ3-CG 4.21Å; A272-L276 PolarHBondContact O-N 3.27Å; A272-L276 VanDerWaalsContact O-N 3.11Å; A273-L276 PolarHBondContact O-N 3.16Å; G274-L276 VanDerWaalsContact C-N 3.35Å; G274-L276 PolarHBondContact O-N 3.02Å; L276-L353 HydrophobicContact CD1-CB 4.19Å; L276-L353 HydrophobicContact CD1-CD2 3.48Å; L276-L353 VanDerWaalsContact CD1-CD2 3.48Å; L276-L353 HydrophobicContact CD1-CG 4.4Å; L276-L353 HydrophobicContact CG-CD2 3.81Å; L276-R498 PolarHBondContact O-NH1 3.13Å
277Y96Very high97.1Very high150 Ų15044 Ų4459%0.58824%0.242SC*.Hα-helixtrans-112.8-21.7-166.8-64.6-67.6000115.1A273 D350A273-Y277 HydrophobicContact CB-CD2 4.39Å; A273-Y277 VanDerWaalsContact O-CD2 3.3Å; A273-Y277 WeakPolarHBondContact O-CD2 3.34Å; A273-Y277 PolarHBondContact O-N 3.49Å; Y277-D350 WeakPolarHBondContact OH-CB 3.35Å
278L96.8Very high97.3Very high75 Ų7542.4 Ų42.439%0.39323%0.232SC..SBendtrans-80.3173.8174.6-56.5172.5000110.3G274 A282 A283 R498G274-L278 WeakPolarHBondContact O-CB 3.23Å; G274-L278 WeakPolarHBondContact O-CG 3.19Å; G274-L278 PolarHBondContact O-N 3.03Å; L278-A282 HydrophobicContact CB-CB 3.99Å; L278-A282 HydrophobicContact CD1-CB 4.06Å; L278-A283 HydrophobicContact CB-CB 4.24Å; L278-R498 PolarHBondContact O-NH1 3.44Å; L278-R498 PolarHBondContact O-NH2 3.31Å
279H93.3Very high97.3Very high99 Ų9945.2 Ų45.246%0.45825%0.249SC..  trans-121.4157.3178.4-62.9-83.1000111.1W281 A282 A283 R498 Y499H279-W281 PolarHBondContact O-N 2.88Å; H279-A282 PolarHBondContact O-N 2.95Å; H279-A282 VanDerWaalsContact O-N 3.15Å; H279-A283 PolarHBondContact O-N 3.06Å; H279-R498 PolarHBondContact CE1-NH2 2.79Å; H279-R498 PolarHBondContact ND1-NH2 2.86Å; H279-Y499 PolarHBondContact CE1-OH 3.45Å
280T95.5Very high97.4Very high33 Ų3343.1 Ų43.120%0.20224%0.236CC..Hα-helixtrans50.5-124.3167.668.70000112.8A223 H229 A282 A283 A284A223-T280 WeakPolarHBondContact CB-O 3.5Å; A223-T280 VanDerWaalsContact O-CA 3.22Å; A223-T280 WeakPolarHBondContact O-CA 3.49Å; A223-T280 PolarHBondContact O-N 3.24Å; H229-T280 WeakPolarHBondContact O-CG2 3.02Å; T280-A282 VanDerWaalsContact C-N 3.33Å; T280-A282 PolarHBondContact O-N 2.96Å; T280-A283 PolarHBondContact O-N 3.23Å; T280-A284 PolarHBondContact O-N 2.87Å
281W97Very high97.4Very high123 Ų12340.1 Ų40.147%0.46621%0.211SC..Hα-helixtrans-63.8-34.7-176.5-69.798.1000113.5P232 F237 H279 A284 M285P232-W281 HydrophobicContact CB-CE3 4.16Å; P232-W281 HydrophobicContact CB-CH2 3.72Å; P232-W281 HydrophobicContact CB-CZ2 4.23Å; P232-W281 HydrophobicContact CB-CZ3 3.69Å; P232-W281 HydrophobicContact CG-CE3 4.27Å; P232-W281 HydrophobicContact CG-CZ3 4.27Å; F237-W281 HydrophobicContact CD1-CH2 4.06Å; F237-W281 HydrophobicContact CD1-CZ3 4.09Å; F237-W281 HydrophobicContact CD2-CH2 4.28Å; F237-W281 AromaticContact CE1-CH2 3.63Å; F237-W281 HydrophobicContact CE1-CH2 3.63Å; F237-W281 AromaticContact CE1-CZ3 3.92Å; F237-W281 HydrophobicContact CE1-CZ3 3.92Å; F237-W281 AromaticContact CE2-CH2 3.86Å; F237-W281 HydrophobicContact CE2-CH2 3.86Å; F237-W281 HydrophobicContact CG-CH2 4.38Å; F237-W281 AromaticContact CZ-CH2 3.54Å; F237-W281 HydrophobicContact CZ-CH2 3.54Å; F237-W281 HydrophobicContact CZ-CZ2 4.49Å; F237-W281 HydrophobicContact CZ-CZ3 4.3Å; H279-W281 PolarHBondContact O-N 2.88Å; W281-A284 PolarHBondContact O-N 3.49Å; W281-M285 WeakPolarHBondContact O-CB 3.3Å; W281-M285 VanDerWaalsContact O-CG 3.29Å; W281-M285 WeakPolarHBondContact O-CG 3.35Å; W281-M285 PolarHBondContact O-N 3.24Å
282A97.6Very high97.4Very high49 Ų4941 Ų4141%0.40522%0.216SC..Hα-helixtrans-68.6-39.9-18000000111.5L278 H279 T280 S286L278-A282 HydrophobicContact CB-CB 3.99Å; L278-A282 HydrophobicContact CD1-CB 4.06Å; H279-A282 PolarHBondContact O-N 2.95Å; H279-A282 VanDerWaalsContact O-N 3.15Å; T280-A282 VanDerWaalsContact C-N 3.33Å; T280-A282 PolarHBondContact O-N 2.96Å; A282-S286 WeakPolarHBondContact O-CB 2.95Å; A282-S286 PolarHBondContact O-N 3.33Å; A282-S286 VanDerWaalsContact O-N 3.11Å; A282-S286 PolarHBondContact O-OG 2.84Å
283A97.6Very high97.4Very high0 Ų040.9 Ų40.90%022%0.216CC..Hα-helixtrans-63.6-45.4171.700000111.3A223 L275 L278 H279 T280 S286 G287A223-A283 HydrophobicContact CB-CB 3.79Å; L275-A283 WeakPolarHBondContact CD1-O 3.35Å; L278-A283 HydrophobicContact CB-CB 4.24Å; H279-A283 PolarHBondContact O-N 3.06Å; T280-A283 PolarHBondContact O-N 3.23Å; A283-S286 WeakPolarHBondContact O-CB 3.06Å; A283-S286 PolarHBondContact O-N 3.11Å; A283-G287 PolarHBondContact O-N 2.85Å
284A97.5Very high97.3Very high8 Ų838.9 Ų38.97%0.06620%0.199CC..Hα-helixtrans-64.9-41.4-179.700000113.3V219 A223 P232 T280 W281 S286 G287 C288V219-A284 HydrophobicContact CG1-CB 4.47Å; A223-A284 HydrophobicContact CB-CB 4.02Å; P232-A284 HydrophobicContact CG-CB 3.33Å; T280-A284 PolarHBondContact O-N 2.87Å; W281-A284 PolarHBondContact O-N 3.49Å; A284-S286 VanDerWaalsContact C-N 3.3Å; A284-S286 PolarHBondContact O-N 3.03Å; A284-G287 CarbonylContact O-C 3.53Å; A284-G287 PolarHBondContact O-N 3.23Å; A284-C288 PolarHBondContact O-N 3.28Å; A284-C288 PolarHBondContact O-SG 2.72Å
285M98.3Very high97.3Very high124 Ų12438.7 Ų38.761%0.61120%0.196SC*.Hα-helixtrans-62-40.1173.8-73.1-58.6-61.500111.5W281 C288 V289W281-M285 WeakPolarHBondContact O-CB 3.3Å; W281-M285 VanDerWaalsContact O-CG 3.29Å; W281-M285 WeakPolarHBondContact O-CG 3.35Å; W281-M285 PolarHBondContact O-N 3.24Å; M285-C288 WeakPolarHBondContact O-CB 3.44Å; M285-C288 PolarHBondContact O-N 2.85Å; M285-V289 PolarHBondContact O-N 3.42Å
286S98.4Very high97.1Very high22 Ų2238.7 Ų38.715%0.15420%0.196CC..Hα-helixtrans-63.5-42.6173.7-56.30000111.1S271 A282 A283 A284 C288 V289 F290S271-S286 WeakPolarHBondContact CB-O 3.49Å; S271-S286 WeakPolarHBondContact O-CB 3.49Å; A282-S286 WeakPolarHBondContact O-CB 2.95Å; A282-S286 PolarHBondContact O-N 3.33Å; A282-S286 VanDerWaalsContact O-N 3.11Å; A282-S286 PolarHBondContact O-OG 2.84Å; A283-S286 WeakPolarHBondContact O-CB 3.06Å; A283-S286 PolarHBondContact O-N 3.11Å; A284-S286 VanDerWaalsContact C-N 3.3Å; A284-S286 PolarHBondContact O-N 3.03Å; S286-C288 VanDerWaalsContact C-N 3.34Å; S286-C288 PolarHBondContact O-N 3.08Å; S286-V289 PolarHBondContact O-N 2.88Å; S286-F290 WeakPolarHBondContact O-CB 3.42Å; S286-F290 PolarHBondContact O-N 3.33Å
287G98.3Very high97Very high0 Ų037.8 Ų37.80%019%0.192CC..Hα-helixtrans-60.5-37.4173.100000113.7A283 A284 F290 A291A283-G287 PolarHBondContact O-N 2.85Å; A284-G287 CarbonylContact O-C 3.53Å; A284-G287 PolarHBondContact O-N 3.23Å; G287-F290 PolarHBondContact O-N 3.35Å; G287-A291 WeakPolarHBondContact O-CB 3.33Å; G287-A291 PolarHBondContact O-N 2.85Å
288C98.6Very high96.8Very high17 Ų1731.1 Ų31.112%0.11517%0.166CC..Hα-helixtrans-64.2-46.9173.4-76.50000112.1C244 A284 M285 S286 F290 A291 V292C244-C288 WeakPolarHBondContact CB-O 3.31Å; A284-C288 PolarHBondContact O-N 3.28Å; A284-C288 PolarHBondContact O-SG 2.72Å; M285-C288 WeakPolarHBondContact O-CB 3.44Å; M285-C288 PolarHBondContact O-N 2.85Å; S286-C288 VanDerWaalsContact C-N 3.34Å; S286-C288 PolarHBondContact O-N 3.08Å; C288-F290 PolarHBondContact O-N 2.94Å; C288-A291 WeakPolarHBondContact O-CB 3.32Å; C288-A291 PolarHBondContact O-N 3Å; C288-V292 WeakPolarHBondContact O-CG2 3.48Å; C288-V292 PolarHBondContact O-N 3.18Å; C288-V292 VanDerWaalsContact O-N 3.12Å
289V98.6Very high96.4Very high59 Ų5928.1 Ų28.136%0.35815%0.151SC..Hα-helixtrans-60.6-39.7173.8176.20000110.5T267 M285 S286 A291 V292 F293T267-V289 HydrophobicContact CG2-CG1 3.92Å; M285-V289 PolarHBondContact O-N 3.42Å; S286-V289 PolarHBondContact O-N 2.88Å; V289-A291 VanDerWaalsContact C-N 3.32Å; V289-A291 PolarHBondContact O-N 3.49Å; V289-V292 WeakPolarHBondContact O-CB 3.34Å; V289-V292 PolarHBondContact O-N 3.26Å; V289-F293 PolarHBondContact O-N 3.43Å
290F98.6Very high95.9Very high0 Ų024.9 Ų24.90%014%0.136CC..Hα-helixtrans-66.5-33.8178.2-169.9-139.5000112.8L208 V212 F213 S271 A272 L275 S286 G287 C288 F293 T294 L353 L357L208-F290 HydrophobicContact CD1-CE1 3.67Å; L208-F290 HydrophobicContact CD1-CZ 3.5Å; L208-F290 VanDerWaalsContact CD1-CZ 3.5Å; L208-F290 HydrophobicContact CD2-CE1 4.47Å; L208-F290 HydrophobicContact CD2-CE2 4.11Å; L208-F290 HydrophobicContact CD2-CZ 3.62Å; L208-F290 HydrophobicContact CG-CZ 4.08Å; V212-F290 HydrophobicContact CG1-CD1 4.48Å; F213-F290 AromaticContact CE2-CD1 3.93Å; F213-F290 HydrophobicContact CE2-CD1 3.93Å; F213-F290 HydrophobicContact CE2-CE1 4.15Å; F213-F290 HydrophobicContact CE2-CG 4.45Å; F213-F290 HydrophobicContact CZ-CB 4.23Å; F213-F290 AromaticContact CZ-CD1 3.65Å; F213-F290 HydrophobicContact CZ-CD1 3.65Å; F213-F290 HydrophobicContact CZ-CE1 4.31Å; F213-F290 HydrophobicContact CZ-CG 4.1Å; S271-F290 WeakPolarHBondContact OG-CA 3.48Å; S271-F290 WeakPolarHBondContact OG-CB 3.24Å; S271-F290 PolarHBondContact OG-N 3.44Å; A272-F290 HydrophobicContact CB-CD1 4.38Å; A272-F290 HydrophobicContact CB-CD2 4.02Å; A272-F290 HydrophobicContact CB-CE1 4.13Å; A272-F290 HydrophobicContact CB-CE2 3.82Å; A272-F290 HydrophobicContact CB-CG 4.32Å; A272-F290 HydrophobicContact CB-CZ 3.85Å; L275-F290 HydrophobicContact CD2-CD1 4.27Å; S286-F290 WeakPolarHBondContact O-CB 3.42Å; S286-F290 PolarHBondContact O-N 3.33Å; G287-F290 PolarHBondContact O-N 3.35Å; C288-F290 PolarHBondContact O-N 2.94Å; F290-F293 HydrophobicContact CD2-CD1 4.03Å; F290-F293 AromaticContact CE2-CD1 3.92Å; F290-F293 HydrophobicContact CE2-CD1 3.92Å; F290-F293 HydrophobicContact CE2-CE1 4.41Å; F290-F293 PolarHBondContact O-N 2.75Å; F290-T294 WeakPolarHBondContact O-CB 3.48Å; F290-T294 PolarHBondContact O-N 3.39Å; F290-T294 PolarHBondContact O-OG1 2.77Å; F290-L353 HydrophobicContact CE1-CD1 4.22Å; F290-L353 HydrophobicContact CZ-CD1 3.98Å; F290-L357 HydrophobicContact CE2-CD2 3.87Å; F290-L357 HydrophobicContact CZ-CD2 4.27Å
291A98.6Very high95.6Very high0 Ų023.6 Ų23.60%013%0.128CC..Hα-helixtrans-63.2-44.9172.100000111.3F213 V241 C244 L245 G287 C288 V289 F293 T294 A295F213-A291 HydrophobicContact CD1-CB 3.95Å; F213-A291 HydrophobicContact CE1-CB 3.41Å; F213-A291 VanDerWaalsContact CE1-CB 3.41Å; F213-A291 VanDerWaalsContact CZ-CA 3.41Å; F213-A291 HydrophobicContact CZ-CB 3.83Å; V241-A291 HydrophobicContact CG1-CB 4.42Å; C244-A291 HydrophobicContact CB-CB 3.82Å; L245-A291 HydrophobicContact CD2-CB 3.94Å; L245-A291 HydrophobicContact CG-CB 4.14Å; G287-A291 WeakPolarHBondContact O-CB 3.33Å; G287-A291 PolarHBondContact O-N 2.85Å; C288-A291 WeakPolarHBondContact O-CB 3.32Å; C288-A291 PolarHBondContact O-N 3Å; V289-A291 VanDerWaalsContact C-N 3.32Å; V289-A291 PolarHBondContact O-N 3.49Å; A291-F293 PolarHBondContact O-N 3.46Å; A291-T294 PolarHBondContact O-N 3.08Å; A291-A295 VanDerWaalsContact O-CB 3.24Å; A291-A295 WeakPolarHBondContact O-CB 3.19Å; A291-A295 PolarHBondContact O-N 3.3Å
292V98.1Very high95.2Very high25 Ų2517.7 Ų17.715%0.15211%0.106CC..Hα-helixtrans-59.7-46.9175-1790000110.5C244 G248 L251 W264 C288 V289 S296C244-V292 HydrophobicContact CB-CG2 3.63Å; G248-V292 WeakPolarHBondContact CA-O 3.5Å; L251-V292 HydrophobicContact CD1-CG1 3.35Å; L251-V292 HydrophobicContact CG-CG1 4.41Å; W264-V292 HydrophobicContact CH2-CG1 3.88Å; W264-V292 HydrophobicContact CZ2-CG1 3.97Å; C288-V292 WeakPolarHBondContact O-CG2 3.48Å; C288-V292 PolarHBondContact O-N 3.18Å; C288-V292 VanDerWaalsContact O-N 3.12Å; V289-V292 WeakPolarHBondContact O-CB 3.34Å; V289-V292 PolarHBondContact O-N 3.26Å; V292-S296 WeakPolarHBondContact O-CB 3.4Å; V292-S296 PolarHBondContact O-N 2.81Å; V292-S296 PolarHBondContact O-OG 2.81Å
293F97.1Very high94.5Very high0 Ų015.4 Ų15.40%09%0.087CC..Hα-helixtrans-58.3-55.8176.9172.3-98000111.3W264 V289 F290 A291 A295 S296 M297 L357 I360 M364W264-F293 AromaticContact CD1-CD2 3.69Å; W264-F293 AromaticContact CD1-CE2 3.9Å; W264-F293 HydrophobicContact CD2-CD2 4.32Å; W264-F293 AromaticContact CE2-CD2 3.85Å; W264-F293 HydrophobicContact CG-CD2 4.25Å; W264-F293 HydrophobicContact CZ2-CB 4.14Å; W264-F293 HydrophobicContact CZ2-CD2 4.47Å; W264-F293 AromaticContact NE1-CD2 3.43Å; W264-F293 WeakPolarHBondContact O-CD2 3.26Å; V289-F293 PolarHBondContact O-N 3.43Å; F290-F293 HydrophobicContact CD2-CD1 4.03Å; F290-F293 AromaticContact CE2-CD1 3.92Å; F290-F293 HydrophobicContact CE2-CD1 3.92Å; F290-F293 HydrophobicContact CE2-CE1 4.41Å; F290-F293 PolarHBondContact O-N 2.75Å; A291-F293 PolarHBondContact O-N 3.46Å; F293-A295 PolarHBondContact O-N 3.38Å; F293-S296 PolarHBondContact O-N 3.32Å; F293-S296 VanDerWaalsContact O-N 3.1Å; F293-S296 PolarHBondContact O-OG 2.98Å; F293-M297 HydrophobicContact CE1-CG 4.23Å; F293-M297 HydrophobicContact CE2-CE 4.41Å; F293-M297 HydrophobicContact CE2-CG 4.23Å; F293-M297 HydrophobicContact CE2-SD 4.22Å; F293-M297 HydrophobicContact CZ-CG 3.99Å; F293-M297 HydrophobicContact CZ-SD 4.3Å; F293-M297 WeakPolarHBondContact O-CG 3.29Å; F293-M297 PolarHBondContact O-N 3.4Å; F293-L357 HydrophobicContact CE1-CD2 3.97Å; F293-I360 HydrophobicContact CZ-CG2 4.27Å; F293-M364 HydrophobicContact CE2-SD 4.43Å; F293-M364 HydrophobicContact CZ-SD 4.42Å
294T97.4Very high93.9Very high0 Ų016.1 Ų16.10%09%0.09CC..Hα-helixtrans-58.3-48.6-176.6-58.40000111.4L205 L208 F213 F290 A291 S296 M297L205-T294 HydrophobicContact CD1-CG2 3.77Å; L208-T294 HydrophobicContact CD2-CG2 3.9Å; L208-T294 HydrophobicContact CG-CG2 4.06Å; F213-T294 HydrophobicContact CD2-CG2 3.89Å; F213-T294 HydrophobicContact CE2-CG2 4Å; F213-T294 WeakPolarHBondContact CE2-OG1 3.33Å; F290-T294 WeakPolarHBondContact O-CB 3.48Å; F290-T294 PolarHBondContact O-N 3.39Å; F290-T294 PolarHBondContact O-OG1 2.77Å; A291-T294 PolarHBondContact O-N 3.08Å; T294-S296 VanDerWaalsContact C-N 3.32Å; T294-S296 PolarHBondContact O-N 2.87Å; T294-M297 PolarHBondContact O-N 2.98Å
295A96.9Very high93.5Very high4 Ų415.7 Ų15.73%0.0339%0.087CC..Hα-helixtrans-60.2-40.4176.900000112.6L245 L249 A291 F293 M297 W298L245-A295 HydrophobicContact CB-CB 4.48Å; L245-A295 HydrophobicContact CD2-CB 4.11Å; L245-A295 WeakPolarHBondContact O-CB 3.5Å; L249-A295 HydrophobicContact CD2-CB 4.47Å; L249-A295 WeakPolarHBondContact CD2-O 3.47Å; L249-A295 HydrophobicContact CG-CB 4.18Å; A291-A295 VanDerWaalsContact O-CB 3.24Å; A291-A295 WeakPolarHBondContact O-CB 3.19Å; A291-A295 PolarHBondContact O-N 3.3Å; F293-A295 PolarHBondContact O-N 3.38Å; A295-M297 PolarHBondContact O-N 3.34Å; A295-W298 PolarHBondContact O-N 3.15Å
296S93.7Very high92.9Very high0 Ų010.6 Ų10.60%06%0.062CC..Hα-helixtrans-64.7-23.8179.374.50000114G248 P252 W264 V292 F293 T294G248-S296 WeakPolarHBondContact O-CA 3.3Å; G248-S296 WeakPolarHBondContact O-CB 3.3Å; P252-S296 WeakPolarHBondContact CG-O 3.45Å; W264-S296 PolarHBondContact NE1-OG 2.9Å; V292-S296 WeakPolarHBondContact O-CB 3.4Å; V292-S296 PolarHBondContact O-N 2.81Å; V292-S296 PolarHBondContact O-OG 2.81Å; F293-S296 PolarHBondContact O-N 3.32Å; F293-S296 VanDerWaalsContact O-N 3.1Å; F293-S296 PolarHBondContact O-OG 2.98Å; T294-S296 VanDerWaalsContact C-N 3.32Å; T294-S296 PolarHBondContact O-N 2.87Å
297M92.6Very high91.9Very high5 Ų512.2 Ų12.23%0.0257%0.069CC..Hα-helixtrans-77.9-20.7-179.5-65.9-58.198.500113.3L205 F257 F293 T294 A295 Q300 A301 I360 M364L205-M297 HydrophobicContact CD1-CB 4.08Å; L205-M297 HydrophobicContact CD2-CB 3.98Å; F257-M297 HydrophobicContact CE1-CE 4.36Å; F257-M297 HydrophobicContact CZ-CE 3.86Å; F293-M297 HydrophobicContact CE1-CG 4.23Å; F293-M297 HydrophobicContact CE2-CE 4.41Å; F293-M297 HydrophobicContact CE2-CG 4.23Å; F293-M297 HydrophobicContact CE2-SD 4.22Å; F293-M297 HydrophobicContact CZ-CG 3.99Å; F293-M297 HydrophobicContact CZ-SD 4.3Å; F293-M297 WeakPolarHBondContact O-CG 3.29Å; F293-M297 PolarHBondContact O-N 3.4Å; T294-M297 PolarHBondContact O-N 2.98Å; A295-M297 PolarHBondContact O-N 3.34Å; M297-Q300 PolarHBondContact O-N 3.02Å; M297-A301 VanDerWaalsContact O-CB 3.31Å; M297-A301 WeakPolarHBondContact O-CB 3.18Å; M297-A301 PolarHBondContact O-N 2.9Å; M297-I360 HydrophobicContact CG-CG2 4.19Å; M297-I360 HydrophobicContact SD-CG2 4.42Å; M297-M364 HydrophobicContact CE-CE 3.99Å; M297-M364 HydrophobicContact CE-SD 4.44Å; M297-M364 HydrophobicContact SD-CE 3.73Å; M297-M364 HydrophobicContact SD-CG 3.95Å; M297-M364 HydrophobicContact SD-SD 3.41Å
298W92.6Very high90.7Very high11 Ų1112.6 Ų12.64%0.0427%0.072CC..Hα-helixtrans-56.7-55.5-174.4-87.189.1000114.2W19 F126 I127 F202 L205 V206 T209 L249 A295 Q300 A301 L302W19-W298 AromaticContact CH2-CH2 3.53Å; W19-W298 HydrophobicContact CH2-CH2 3.53Å; W19-W298 AromaticContact CH2-CZ2 3.65Å; W19-W298 HydrophobicContact CH2-CZ2 3.65Å; W19-W298 AromaticContact CZ2-CH2 3.29Å; W19-W298 HydrophobicContact CZ2-CH2 3.29Å; W19-W298 AromaticContact CZ2-CZ2 3.66Å; W19-W298 HydrophobicContact CZ2-CZ2 3.66Å; W19-W298 HydrophobicContact CZ2-CZ3 4.1Å; F126-W298 HydrophobicContact CD1-CZ3 4.15Å; F126-W298 HydrophobicContact CE1-CH2 4.08Å; F126-W298 AromaticContact CE1-CZ3 3.79Å; F126-W298 HydrophobicContact CE1-CZ3 3.79Å; I127-W298 HydrophobicContact CD1-CB 4.23Å; I127-W298 HydrophobicContact CG1-CB 4.49Å; I127-W298 HydrophobicContact CG1-CE3 4.09Å; F202-W298 HydrophobicContact CE2-CE3 4.45Å; F202-W298 AromaticContact CE2-CZ3 3.83Å; F202-W298 HydrophobicContact CE2-CZ3 3.83Å; F202-W298 HydrophobicContact CZ-CZ3 4.36Å; L205-W298 HydrophobicContact CD2-CB 4.42Å; L205-W298 HydrophobicContact CD2-CD2 4.04Å; L205-W298 HydrophobicContact CD2-CG 3.95Å; L205-W298 HydrophobicContact CG-CD2 4.37Å; L205-W298 HydrophobicContact CG-CZ2 4.35Å; V206-W298 HydrophobicContact CB-CH2 4.42Å; V206-W298 HydrophobicContact CG2-CH2 3.74Å; V206-W298 HydrophobicContact CG2-CZ3 4.38Å; T209-W298 HydrophobicContact CG2-CZ2 3.9Å; T209-W298 VanDerWaalsContact OG1-CZ2 3.28Å; T209-W298 WeakPolarHBondContact OG1-CZ2 3.49Å; T209-W298 PolarHBondContact OG1-NE1 3.04Å; L249-W298 HydrophobicContact CD2-CB 4.24Å; A295-W298 PolarHBondContact O-N 3.15Å; W298-Q300 VanDerWaalsContact C-N 3.28Å; W298-Q300 PolarHBondContact O-N 3.15Å; W298-A301 PolarHBondContact O-N 3.41Å; W298-L302 HydrophobicContact CE3-CD1 3.64Å; W298-L302 HydrophobicContact CZ3-CD1 4.03Å; W298-L302 WeakPolarHBondContact O-CB 3.47Å; W298-L302 PolarHBondContact O-N 3.4Å; W298-L302 VanDerWaalsContact O-N 3.1Å
299P87.6Confident89Confident12 Ų1212.6 Ų12.68%0.0787%0.074CC..Hα-helixtrans-62-34.7-179.4-2536.3000113.5W124 P252 G303W124-P299 HydrophobicContact CH2-CG 4.18Å; W124-P299 HydrophobicContact CZ2-CG 4.18Å; P252-P299 HydrophobicContact CG-CG 4.22Å; P299-G303 PolarHBondContact O-N 3.04Å; P299-G303 VanDerWaalsContact O-N 3.1Å
300Q84.3Confident87.5Confident30 Ų3016.8 Ų16.814%0.1410%0.1CC..Hα-helixtrans-73.4-48.7-179.7-67.5-176.6-12.300111.7M297 W298 L302 G303 H304M297-Q300 PolarHBondContact O-N 3.02Å; W298-Q300 VanDerWaalsContact C-N 3.28Å; W298-Q300 PolarHBondContact O-N 3.15Å; Q300-L302 PolarHBondContact O-N 3Å; Q300-G303 PolarHBondContact O-N 3.4Å; Q300-G303 VanDerWaalsContact O-N 3.15Å; Q300-H304 PolarHBondContact O-CD2 3.46Å; Q300-H304 PolarHBondContact O-N 2.88Å
301A88.9Confident86.7Confident6 Ų618.6 Ų18.65%0.0511%0.11CC..Hα-helixtrans-60.4-43.9179.100000111.8L205 M297 W298 H304 L305L205-A301 HydrophobicContact CD2-CB 3.61Å; M297-A301 VanDerWaalsContact O-CB 3.31Å; M297-A301 WeakPolarHBondContact O-CB 3.18Å; M297-A301 PolarHBondContact O-N 2.9Å; W298-A301 PolarHBondContact O-N 3.41Å; A301-H304 PolarHBondContact O-N 3.46Å; A301-L305 WeakPolarHBondContact O-CB 3.3Å; A301-L305 PolarHBondContact O-N 2.91Å
302L88.4Confident86.1Confident0 Ų019.1 Ų19.10%011%0.114CC..Hα-helixtrans-63.2-41.3173.4-99132.9000112.6W111 I123 I127 F202 W298 Q300 L305 I306W111-L302 HydrophobicContact CD2-CD2 4.32Å; W111-L302 HydrophobicContact CE3-CD2 3.77Å; W111-L302 HydrophobicContact CH2-CD2 4.02Å; W111-L302 HydrophobicContact CZ3-CD2 3.59Å; I123-L302 HydrophobicContact CB-CD2 4.43Å; I123-L302 HydrophobicContact CG1-CD2 4.06Å; I123-L302 HydrophobicContact CG2-CB 4.31Å; I123-L302 HydrophobicContact CG2-CD1 4.15Å; I123-L302 HydrophobicContact CG2-CD2 3.77Å; I123-L302 HydrophobicContact CG2-CG 4.29Å; I127-L302 HydrophobicContact CD1-CD1 4.2Å; I127-L302 HydrophobicContact CG1-CD1 4.26Å; F202-L302 HydrophobicContact CD2-CG 4.18Å; F202-L302 HydrophobicContact CE2-CD1 3.83Å; F202-L302 HydrophobicContact CE2-CD2 4.33Å; F202-L302 HydrophobicContact CE2-CG 3.66Å; F202-L302 HydrophobicContact CZ-CG 4.44Å; W298-L302 HydrophobicContact CE3-CD1 3.64Å; W298-L302 HydrophobicContact CZ3-CD1 4.03Å; W298-L302 WeakPolarHBondContact O-CB 3.47Å; W298-L302 PolarHBondContact O-N 3.4Å; W298-L302 VanDerWaalsContact O-N 3.1Å; Q300-L302 PolarHBondContact O-N 3Å; L302-L305 PolarHBondContact O-N 3.33Å; L302-I306 HydrophobicContact CD2-CD1 4.41Å; L302-I306 WeakPolarHBondContact O-CG1 3.31Å; L302-I306 PolarHBondContact O-N 3.41Å
303G81.5Confident85.8Confident1 Ų118 Ų181%0.0111%0.106CC..Hα-helixtrans-57.9-48.6173.200000111.9P299 Q300 L305 I306 N307P299-G303 PolarHBondContact O-N 3.04Å; P299-G303 VanDerWaalsContact O-N 3.1Å; Q300-G303 PolarHBondContact O-N 3.4Å; Q300-G303 VanDerWaalsContact O-N 3.15Å; G303-L305 PolarHBondContact O-N 3.26Å; G303-I306 PolarHBondContact O-N 2.79Å; G303-N307 VanDerWaalsContact O-CB 3.28Å; G303-N307 WeakPolarHBondContact O-CB 3.38Å; G303-N307 PolarHBondContact O-N 3.31Å; G303-N307 PolarHBondContact O-ND2 2.87Å
304H85.7Confident85.6Confident14 Ų1422.8 Ų22.87%0.06513%0.127CC..Hα-helixtrans-62.4-42.7177.6-68.4-177.1000112A198 Q300 A301 N307 S308 N363 P368A198-H304 HydrophobicContact CB-CB 4.3Å; Q300-H304 PolarHBondContact O-CD2 3.46Å; Q300-H304 PolarHBondContact O-N 2.88Å; A301-H304 PolarHBondContact O-N 3.46Å; H304-N307 PolarHBondContact O-N 3.19Å; H304-S308 WeakPolarHBondContact O-CB 3.45Å; H304-S308 PolarHBondContact O-N 2.84Å; H304-S308 PolarHBondContact O-OG 3.3Å; H304-N363 PolarHBondContact CE1-O 3.23Å; H304-N363 PolarHBondContact ND1-ND2 3.19Å; H304-N363 PolarHBondContact ND1-O 3Å; H304-N363 PolarHBondContact ND1-OD1 2.97Å; H304-P368 PolarHBondContact NE2-O 3.28Å
305L88.8Confident85.3Confident0 Ų022.8 Ų22.80%013%0.128CC..Hα-helixtrans-57.2-52.2177.1-175.675.9000111.2W111 W112 F202 A301 L302 G303 N307 S308W111-L305 HydrophobicContact CZ3-CD2 4.43Å; W112-L305 HydrophobicContact CH2-CD2 3.82Å; W112-L305 HydrophobicContact CH2-CG 3.79Å; W112-L305 HydrophobicContact CZ2-CG 4.27Å; W112-L305 WeakPolarHBondContact CZ2-O 2.91Å; F202-L305 HydrophobicContact CB-CB 4.43Å; F202-L305 HydrophobicContact CB-CD1 4Å; F202-L305 HydrophobicContact CB-CD2 4.24Å; F202-L305 HydrophobicContact CB-CG 4.45Å; F202-L305 HydrophobicContact CD1-CD1 4.34Å; F202-L305 HydrophobicContact CD1-CD2 3.53Å; F202-L305 HydrophobicContact CD2-CD2 4.25Å; F202-L305 HydrophobicContact CE1-CD2 3.91Å; F202-L305 HydrophobicContact CG-CD1 4.37Å; F202-L305 HydrophobicContact CG-CD2 3.73Å; F202-L305 HydrophobicContact CG-CG 4.45Å; F202-L305 HydrophobicContact CZ-CD2 4.42Å; A301-L305 WeakPolarHBondContact O-CB 3.3Å; A301-L305 PolarHBondContact O-N 2.91Å; L302-L305 PolarHBondContact O-N 3.33Å; G303-L305 PolarHBondContact O-N 3.26Å; L305-N307 VanDerWaalsContact C-N 3.33Å; L305-N307 PolarHBondContact O-N 2.96Å; L305-S308 PolarHBondContact O-OG 2.87Å; L305-S308 VanDerWaalsContact O-OG 3.09Å
306I86.4Confident85.2Confident17 Ų1722.6 Ų22.69%0.08713%0.126CC..Hα-helixtrans-67.5-35.5-176.3-65.3170000111.9W111 W112 I123 L302 G303W111-I306 HydrophobicContact CB-CD1 4.31Å; W112-I306 HydrophobicContact CD2-CG1 4.44Å; W112-I306 HydrophobicContact CE3-CG1 4.4Å; W112-I306 HydrophobicContact CH2-CG1 4.02Å; W112-I306 VanDerWaalsContact CZ2-CA 3.48Å; W112-I306 HydrophobicContact CZ2-CB 4.3Å; W112-I306 HydrophobicContact CZ2-CG1 4.05Å; W112-I306 HydrophobicContact CZ3-CG1 4.18Å; W112-I306 PolarHBondContact NE1-O 2.99Å; W112-I306 VanDerWaalsContact NE1-O 3.16Å; I123-I306 HydrophobicContact CD1-CD1 3.27Å; I123-I306 HydrophobicContact CG1-CD1 4Å; L302-I306 HydrophobicContact CD2-CD1 4.41Å; L302-I306 WeakPolarHBondContact O-CG1 3.31Å; L302-I306 PolarHBondContact O-N 3.41Å; G303-I306 PolarHBondContact O-N 2.79Å
307N78.1Confident85.4Confident56 Ų5623.1 Ų23.130%0.29913%0.129SC..Hα-helixtrans-83.6-24.5-176.8-67.9-35.3000114.4G303 H304 L305 K370 L375G303-N307 VanDerWaalsContact O-CB 3.28Å; G303-N307 WeakPolarHBondContact O-CB 3.38Å; G303-N307 PolarHBondContact O-N 3.31Å; G303-N307 PolarHBondContact O-ND2 2.87Å; H304-N307 PolarHBondContact O-N 3.19Å; L305-N307 VanDerWaalsContact C-N 3.33Å; L305-N307 PolarHBondContact O-N 2.96Å; N307-K370 PolarHBondContact ND2-O 2.78Å; N307-L375 VanDerWaalsContact CG-CD1 3.44Å; N307-L375 WeakPolarHBondContact ND2-CD1 3.31Å; N307-L375 WeakPolarHBondContact OD1-CD1 3.43Å
308S72.9Confident85.6Confident7 Ų724.3 Ų24.35%0.04914%0.135CC..Hα-helixtrans-81.5-26.9-177.360.10000113.1A198 H304 L305A198-S308 WeakPolarHBondContact CB-OG 3.49Å; H304-S308 WeakPolarHBondContact O-CB 3.45Å; H304-S308 PolarHBondContact O-N 2.84Å; H304-S308 PolarHBondContact O-OG 3.3Å; L305-S308 PolarHBondContact O-OG 2.87Å; L305-S308 VanDerWaalsContact O-OG 3.09Å
309G62.8Low85.8Confident17 Ų1723.8 Ų23.818%0.17513%0.133CC..  trans-85.4123.5-175.800000114.5N311G309-N311 VanDerWaalsContact C-N 3.3Å
310T66.3Low86.3Confident147 Ų14723.4 Ų23.490%0.90213%0.13SC*.SBendtrans-77.3-20.2157.554.20000112.1
311N82.6Confident87Confident38 Ų3824.7 Ų24.720%0.20314%0.138CC..SBendtrans-132.7109.6178.4-173.3-37.9000110.1G309 G313 K314 T315G309-N311 VanDerWaalsContact C-N 3.3Å; N311-G313 PolarHBondContact O-N 3.42Å; N311-G313 PolarHBondContact OD1-N 2.83Å; N311-K314 HydrophobicContact CB-CB 4.39Å; N311-K314 HydrophobicContact CB-CD 4.21Å; N311-K314 HydrophobicContact CB-CG 4.05Å; N311-K314 PolarHBondContact O-N 3.45Å; N311-T315 PolarHBondContact O-N 2.89Å; N311-T315 PolarHBondContact O-OG1 2.8Å
312P86.5Confident87.4Confident12 Ų1227.4 Ų27.48%0.07815%0.149CC..Hα-helixtrans-52.5-37.1179.2-20.722.5000114.2W61 W112 T315 M316W61-P312 HydrophobicContact CH2-CB 4.42Å; W61-P312 HydrophobicContact CH2-CG 3.67Å; W61-P312 HydrophobicContact CZ3-CB 4.21Å; W61-P312 HydrophobicContact CZ3-CG 3.87Å; W112-P312 HydrophobicContact CB-CB 4.16Å; W112-P312 HydrophobicContact CB-CG 3.63Å; W112-P312 HydrophobicContact CD2-CB 3.67Å; W112-P312 HydrophobicContact CD2-CG 3.92Å; W112-P312 HydrophobicContact CE3-CB 3.95Å; W112-P312 HydrophobicContact CG-CB 3.8Å; W112-P312 HydrophobicContact CG-CG 3.47Å; W112-P312 VanDerWaalsContact CG-CG 3.47Å; P312-T315 PolarHBondContact O-OG1 3.11Å; P312-T315 VanDerWaalsContact O-OG1 3.04Å; P312-M316 WeakPolarHBondContact O-CB 3.15Å; P312-M316 PolarHBondContact O-N 2.88Å; P312-M316 VanDerWaalsContact O-N 3.1Å
313G91.6Very high87.9Confident0 Ų027.5 Ų27.50%015%0.149CC..Hα-helixtrans-61.2-48.5179.300000111.8P52 N311 T315 M316 T317P52-G313 WeakPolarHBondContact O-CA 3.42Å; N311-G313 PolarHBondContact O-N 3.42Å; N311-G313 PolarHBondContact OD1-N 2.83Å; G313-T315 PolarHBondContact O-N 3.31Å; G313-M316 PolarHBondContact O-N 3.34Å; G313-T317 WeakPolarHBondContact O-CB 3.2Å; G313-T317 PolarHBondContact O-N 3.22Å; G313-T317 PolarHBondContact O-OG1 2.84Å
314K91.8Very high88.6Confident101 Ų10128.1 Ų28.144%0.43915%0.152SC..Hα-helixtrans-60.5-49-178.3-66.8-170.6178.4-172.60112.3T56 W195 N311 T317 I318T56-K314 HydrophobicContact CG2-CG 3.63Å; W195-K314 HydrophobicContact CE3-CB 4.04Å; W195-K314 HydrophobicContact CH2-CB 4.33Å; W195-K314 HydrophobicContact CH2-CD 4.46Å; W195-K314 HydrophobicContact CZ3-CB 3.73Å; N311-K314 HydrophobicContact CB-CB 4.39Å; N311-K314 HydrophobicContact CB-CD 4.21Å; N311-K314 HydrophobicContact CB-CG 4.05Å; N311-K314 PolarHBondContact O-N 3.45Å; K314-T317 PolarHBondContact O-N 3.29Å; K314-I318 WeakPolarHBondContact O-CG1 3.5Å; K314-I318 PolarHBondContact O-N 3.23Å; K314-I318 VanDerWaalsContact O-N 3.15Å
315T92.3Very high89.2Confident1 Ų132.3 Ų32.31%0.00618%0.175CC..Hα-helixtrans-64.2-44-178.838.10000112.3W195 N311 P312 G313 I318 A319W195-T315 HydrophobicContact CB-CG2 3.69Å; W195-T315 HydrophobicContact CE3-CG2 4.33Å; N311-T315 PolarHBondContact O-N 2.89Å; N311-T315 PolarHBondContact O-OG1 2.8Å; P312-T315 PolarHBondContact O-OG1 3.11Å; P312-T315 VanDerWaalsContact O-OG1 3.04Å; G313-T315 PolarHBondContact O-N 3.31Å; T315-I318 PolarHBondContact O-N 3.29Å; T315-A319 PolarHBondContact O-N 2.96Å; T315-A319 VanDerWaalsContact O-N 3.13Å
316M94.9Very high89.6Confident0 Ų032.8 Ų32.80%018%0.177CC..Hα-helixtrans-70.1-37.7-180-170.467.882.400111.7P52 A108 W111 W112 F202 P312 G313 I318 A319 M320P52-M316 HydrophobicContact CB-CB 3.77Å; P52-M316 HydrophobicContact CB-CG 3.8Å; P52-M316 HydrophobicContact CG-CB 4.08Å; P52-M316 HydrophobicContact CG-CG 3.52Å; A108-M316 HydrophobicContact CB-CB 4.22Å; A108-M316 HydrophobicContact CB-CE 4.21Å; A108-M316 HydrophobicContact CB-CG 4.21Å; W111-M316 HydrophobicContact CE3-CE 3.78Å; W111-M316 HydrophobicContact CH2-CE 4.46Å; W111-M316 HydrophobicContact CZ3-CE 3.64Å; W112-M316 HydrophobicContact CZ3-CE 4.25Å; F202-M316 HydrophobicContact CE1-SD 4.17Å; P312-M316 WeakPolarHBondContact O-CB 3.15Å; P312-M316 PolarHBondContact O-N 2.88Å; P312-M316 VanDerWaalsContact O-N 3.1Å; G313-M316 PolarHBondContact O-N 3.34Å; M316-I318 VanDerWaalsContact C-N 3.34Å; M316-I318 PolarHBondContact O-N 2.86Å; M316-A319 WeakPolarHBondContact O-CB 3.34Å; M316-A319 PolarHBondContact O-N 2.98Å; M316-M320 WeakPolarHBondContact O-CG 3.48Å; M316-M320 PolarHBondContact O-N 3.42Å
317T96.7Very high90.1Very high11 Ų1132.6 Ų32.67%0.06718%0.176CC..Hα-helixtrans-59.1-45.4174.1-620000111.4P52 I53 G313 K314 A319 M320 I321P52-T317 VanDerWaalsContact C-OG1 3.24Å; I53-T317 WeakPolarHBondContact CA-OG1 3.28Å; I53-T317 HydrophobicContact CB-CG2 4.07Å; I53-T317 HydrophobicContact CD1-CG2 4.48Å; I53-T317 HydrophobicContact CG1-CG2 4.3Å; I53-T317 PolarHBondContact N-OG1 3.45Å; G313-T317 WeakPolarHBondContact O-CB 3.2Å; G313-T317 PolarHBondContact O-N 3.22Å; G313-T317 PolarHBondContact O-OG1 2.84Å; K314-T317 PolarHBondContact O-N 3.29Å; T317-A319 VanDerWaalsContact C-N 3.33Å; T317-A319 PolarHBondContact O-N 2.69Å; T317-M320 PolarHBondContact O-N 3.02Å; T317-I321 HydrophobicContact CG2-CD1 3.93Å; T317-I321 HydrophobicContact CG2-CG1 4.38Å; T317-I321 VanDerWaalsContact O-CG1 3.31Å; T317-I321 WeakPolarHBondContact O-CG1 3.43Å; T317-I321 PolarHBondContact O-N 3.31Å
318I96.5Very high90.9Very high30 Ų3033 Ų3315%0.15418%0.175CC..Hα-helixtrans-62.4-42.1177.7-65.3-69.4000111.3W195 L196 A200 K314 T315 M316 M320 I321 F322W195-I318 HydrophobicContact CE3-CG1 4.23Å; W195-I318 HydrophobicContact CH2-CG1 4.35Å; W195-I318 HydrophobicContact CZ3-CD1 4.23Å; W195-I318 HydrophobicContact CZ3-CG1 3.52Å; L196-I318 HydrophobicContact CD2-CD1 3.64Å; L196-I318 HydrophobicContact CD2-CG1 3.87Å; L196-I318 WeakPolarHBondContact O-CG2 3.32Å; A200-I318 HydrophobicContact CB-CG2 4.45Å; K314-I318 WeakPolarHBondContact O-CG1 3.5Å; K314-I318 PolarHBondContact O-N 3.23Å; K314-I318 VanDerWaalsContact O-N 3.15Å; T315-I318 PolarHBondContact O-N 3.29Å; M316-I318 VanDerWaalsContact C-N 3.34Å; M316-I318 PolarHBondContact O-N 2.86Å; I318-M320 VanDerWaalsContact C-N 3.3Å; I318-M320 PolarHBondContact O-N 3.49Å; I318-I321 HydrophobicContact CD1-CD1 4.29Å; I318-I321 PolarHBondContact O-N 2.84Å; I318-F322 HydrophobicContact CG2-CD2 4.02Å; I318-F322 HydrophobicContact CG2-CE2 4.13Å; I318-F322 WeakPolarHBondContact O-CD2 3.33Å; I318-F322 PolarHBondContact O-N 3.27Å
319A97.1Very high92Very high0 Ų035.3 Ų35.30%018%0.184CC..Hα-helixtrans-56.6-46.617500000111.9G199 F202 G203 T315 M316 T317 I321 F322 Y323G199-A319 WeakPolarHBondContact O-CA 3.43Å; G199-A319 WeakPolarHBondContact O-CB 3.21Å; F202-A319 HydrophobicContact CB-CB 4.43Å; F202-A319 HydrophobicContact CD1-CB 3.71Å; G203-A319 WeakPolarHBondContact CA-O 2.96Å; T315-A319 PolarHBondContact O-N 2.96Å; T315-A319 VanDerWaalsContact O-N 3.13Å; M316-A319 WeakPolarHBondContact O-CB 3.34Å; M316-A319 PolarHBondContact O-N 2.98Å; T317-A319 VanDerWaalsContact C-N 3.33Å; T317-A319 PolarHBondContact O-N 2.69Å; A319-I321 VanDerWaalsContact C-N 3.35Å; A319-I321 PolarHBondContact O-N 2.85Å; A319-F322 PolarHBondContact O-N 3.41Å; A319-Y323 WeakPolarHBondContact O-CB 3.13Å; A319-Y323 PolarHBondContact O-N 2.88Å
320M98.1Very high93.5Very high3 Ų334.6 Ų34.62%0.01518%0.177CC..Hα-helixtrans-73.4-26.1-179.3-63.6-59.399.400113.3F49 L50 L104 M316 T317 I318 L324F49-M320 HydrophobicContact CB-CB 4.33Å; F49-M320 HydrophobicContact CD1-SD 4.21Å; F49-M320 WeakPolarHBondContact O-CB 3.39Å; F49-M320 VanDerWaalsContact O-CG 3.27Å; F49-M320 WeakPolarHBondContact O-CG 3.38Å; L50-M320 HydrophobicContact CD2-CB 4.38Å; L104-M320 HydrophobicContact CD1-CG 4.26Å; L104-M320 HydrophobicContact CD1-SD 4.3Å; L104-M320 HydrophobicContact CD2-CG 3.92Å; L104-M320 HydrophobicContact CD2-SD 3.64Å; M316-M320 WeakPolarHBondContact O-CG 3.48Å; M316-M320 PolarHBondContact O-N 3.42Å; T317-M320 PolarHBondContact O-N 3.02Å; I318-M320 VanDerWaalsContact C-N 3.3Å; I318-M320 PolarHBondContact O-N 3.49Å; M320-L324 WeakPolarHBondContact O-CB 3.35Å; M320-L324 WeakPolarHBondContact O-CG 3.48Å; M320-L324 PolarHBondContact O-N 2.83Å
321I98.3Very high94.8Very high58 Ų5828.1 Ų28.130%0.29714%0.138SC..Hα-helixtrans-61.8-50.7168.8-72.6167.6000110.1L50 T317 I318 A319 L324 L325L50-I321 HydrophobicContact CD2-CB 4.48Å; L50-I321 HydrophobicContact CD2-CG1 3.54Å; T317-I321 HydrophobicContact CG2-CD1 3.93Å; T317-I321 HydrophobicContact CG2-CG1 4.38Å; T317-I321 VanDerWaalsContact O-CG1 3.31Å; T317-I321 WeakPolarHBondContact O-CG1 3.43Å; T317-I321 PolarHBondContact O-N 3.31Å; I318-I321 HydrophobicContact CD1-CD1 4.29Å; I318-I321 PolarHBondContact O-N 2.84Å; A319-I321 VanDerWaalsContact C-N 3.35Å; A319-I321 PolarHBondContact O-N 2.85Å; I321-L324 PolarHBondContact O-N 3.46Å; I321-L325 HydrophobicContact CG2-CD1 3.82Å; I321-L325 HydrophobicContact CG2-CG 4.28Å; I321-L325 VanDerWaalsContact O-CG 3.3Å; I321-L325 WeakPolarHBondContact O-CG 3.26Å; I321-L325 PolarHBondContact O-N 3.22Å
322F98.3Very high95.4Very high62 Ų6230.3 Ų30.327%0.27214%0.143SC..Hα-helixtrans-64-43.1179.3-87-97000111.8A200 I318 A319 L324 L325 E326 I359A200-F322 HydrophobicContact CB-CD1 3.96Å; A200-F322 HydrophobicContact CB-CD2 3.56Å; A200-F322 HydrophobicContact CB-CE1 3.92Å; A200-F322 HydrophobicContact CB-CE2 3.51Å; A200-F322 HydrophobicContact CB-CG 3.79Å; A200-F322 HydrophobicContact CB-CZ 3.69Å; I318-F322 HydrophobicContact CG2-CD2 4.02Å; I318-F322 HydrophobicContact CG2-CE2 4.13Å; I318-F322 WeakPolarHBondContact O-CD2 3.33Å; I318-F322 PolarHBondContact O-N 3.27Å; A319-F322 PolarHBondContact O-N 3.41Å; F322-L324 VanDerWaalsContact C-N 3.31Å; F322-L324 PolarHBondContact O-N 3.47Å; F322-L325 PolarHBondContact O-N 3.28Å; F322-E326 WeakPolarHBondContact O-CB 3.4Å; F322-E326 VanDerWaalsContact O-CG 3.22Å; F322-E326 WeakPolarHBondContact O-CG 3.49Å; F322-E326 PolarHBondContact O-N 3.48Å; F322-I359 HydrophobicContact CD1-CD1 3.72Å; F322-I359 HydrophobicContact CE1-CD1 3.55Å
323Y98.4Very high95.7Very high2 Ų229.7 Ų29.71%0.00814%0.14CC..Hα-helixtrans-54.7-45.3172.8174.4-91.8000112.4F49 V206 F207 H210 A319 I327F49-Y323 HydrophobicContact CD1-CD1 4.13Å; F49-Y323 AromaticContact CD1-CE1 3.93Å; F49-Y323 HydrophobicContact CD1-CE1 3.93Å; F49-Y323 HydrophobicContact CE1-CD1 4.23Å; F49-Y323 AromaticContact CE1-CE1 3.57Å; F49-Y323 HydrophobicContact CE1-CE1 3.57Å; F49-Y323 HydrophobicContact CE2-CE1 4.2Å; F49-Y323 HydrophobicContact CG-CD1 4.5Å; F49-Y323 HydrophobicContact CG-CE1 4.41Å; F49-Y323 AromaticContact CZ-CE1 3.73Å; F49-Y323 HydrophobicContact CZ-CE1 3.73Å; V206-Y323 HydrophobicContact CB-CD2 4.25Å; V206-Y323 HydrophobicContact CG1-CD2 3.77Å; V206-Y323 HydrophobicContact CG1-CE2 3.89Å; F207-Y323 HydrophobicContact CB-CD2 3.7Å; F207-Y323 HydrophobicContact CB-CE2 4.22Å; F207-Y323 HydrophobicContact CD2-CE2 4.47Å; H210-Y323 HydrophobicContact CB-CE2 4.49Å; H210-Y323 PolarHBondContact CE1-OH 3.19Å; H210-Y323 AromaticContact ND1-CE2 3.99Å; H210-Y323 AromaticContact ND1-CZ 3.85Å; H210-Y323 PolarHBondContact ND1-OH 3.43Å; A319-Y323 WeakPolarHBondContact O-CB 3.13Å; A319-Y323 PolarHBondContact O-N 2.88Å; Y323-I327 HydrophobicContact CE1-CD1 4.33Å; Y323-I327 WeakPolarHBondContact O-CB 3.27Å; Y323-I327 PolarHBondContact O-N 2.92Å
324L97.5Very high95.7Very high14 Ų1429.9 Ų29.97%0.07314%0.141CC..Hα-helixtrans-68.4-42.9177.7-79.8-178.9000112.9F49 L50 M320 I321 F322 E326 I327 F328F49-L324 HydrophobicContact CB-CD1 3.95Å; F49-L324 HydrophobicContact CB-CD2 4.08Å; F49-L324 HydrophobicContact CB-CG 3.95Å; F49-L324 HydrophobicContact CD2-CD2 3.64Å; F49-L324 HydrophobicContact CD2-CG 4.44Å; F49-L324 HydrophobicContact CE2-CD2 4.36Å; F49-L324 HydrophobicContact CG-CD2 4.08Å; F49-L324 HydrophobicContact CG-CG 4.42Å; L50-L324 HydrophobicContact CD1-CD1 4.39Å; L50-L324 HydrophobicContact CD2-CD1 3.86Å; L50-L324 HydrophobicContact CG-CD1 3.88Å; M320-L324 WeakPolarHBondContact O-CB 3.35Å; M320-L324 WeakPolarHBondContact O-CG 3.48Å; M320-L324 PolarHBondContact O-N 2.83Å; I321-L324 PolarHBondContact O-N 3.46Å; F322-L324 VanDerWaalsContact C-N 3.31Å; F322-L324 PolarHBondContact O-N 3.47Å; L324-E326 VanDerWaalsContact C-N 3.26Å; L324-E326 PolarHBondContact O-N 3.31Å; L324-I327 HydrophobicContact CD2-CG2 4.26Å; L324-I327 WeakPolarHBondContact O-CG2 3.23Å; L324-I327 PolarHBondContact O-N 3.39Å; L324-F328 HydrophobicContact CB-CE2 4.37Å; L324-F328 HydrophobicContact CD2-CE2 4.41Å; L324-F328 WeakPolarHBondContact O-CD2 3.4Å; L324-F328 WeakPolarHBondContact O-CG 3.29Å; L324-F328 PolarHBondContact O-N 2.77Å
325L97Very high95.6Very high103 Ų10325.3 Ų25.354%0.53912%0.122SC..Hα-helixtrans-60.8-41.6177.9-71.5173.6000110.7I321 F322 F329I321-L325 HydrophobicContact CG2-CD1 3.82Å; I321-L325 HydrophobicContact CG2-CG 4.28Å; I321-L325 VanDerWaalsContact O-CG 3.3Å; I321-L325 WeakPolarHBondContact O-CG 3.26Å; I321-L325 PolarHBondContact O-N 3.22Å; F322-L325 PolarHBondContact O-N 3.28Å; L325-F329 VanDerWaalsContact O-CB 3.32Å; L325-F329 WeakPolarHBondContact O-CB 3.45Å; L325-F329 PolarHBondContact O-N 3.07Å
326E97.9Very high95.5Very high10 Ų1025.5 Ų25.55%0.04712%0.123CC..Hα-helixtrans-72.4-37.4179.7-67.8168.9-174.600112.6S204 F207 F322 L324 F329 C330 L352 I356S204-E326 VanDerWaalsContact CA-OE2 3.24Å; S204-E326 WeakPolarHBondContact CA-OE2 3.49Å; S204-E326 VanDerWaalsContact CB-OE1 3.25Å; S204-E326 WeakPolarHBondContact CB-OE1 3.06Å; S204-E326 PolarHBondContact OG-OE1 3.43Å; F207-E326 HydrophobicContact CB-CB 4.3Å; F207-E326 WeakPolarHBondContact CB-OE2 3.47Å; F207-E326 HydrophobicContact CD1-CB 3.5Å; F207-E326 VanDerWaalsContact CD1-CB 3.5Å; F207-E326 HydrophobicContact CD1-CG 4.28Å; F207-E326 WeakPolarHBondContact CD1-OE2 3.22Å; F207-E326 HydrophobicContact CD2-CB 4.06Å; F207-E326 HydrophobicContact CE1-CB 3.8Å; F207-E326 HydrophobicContact CE2-CB 4.34Å; F207-E326 HydrophobicContact CG-CB 3.65Å; F207-E326 WeakPolarHBondContact CG-OE2 3.38Å; F207-E326 HydrophobicContact CZ-CB 4.23Å; F322-E326 WeakPolarHBondContact O-CB 3.4Å; F322-E326 VanDerWaalsContact O-CG 3.22Å; F322-E326 WeakPolarHBondContact O-CG 3.49Å; F322-E326 PolarHBondContact O-N 3.48Å; L324-E326 VanDerWaalsContact C-N 3.26Å; L324-E326 PolarHBondContact O-N 3.31Å; E326-F329 PolarHBondContact O-N 3.25Å; E326-C330 VanDerWaalsContact O-CB 3.26Å; E326-C330 WeakPolarHBondContact O-CB 3.47Å; E326-C330 PolarHBondContact O-N 3.29Å; E326-L352 HydrophobicContact CB-CD1 3.97Å; E326-L352 HydrophobicContact CG-CD1 3.92Å; E326-I356 HydrophobicContact CG-CG1 4.3Å
327I96Very high95.1Very high13 Ų1329.7 Ų29.77%0.06714%0.141CC..Hα-helixtrans-66.1-39.1174.7-152.2168.9000111.8F207 Y323 L324 C330 A331F207-I327 HydrophobicContact CD2-CB 4.16Å; F207-I327 HydrophobicContact CD2-CG1 4.49Å; F207-I327 HydrophobicContact CE2-CB 4.02Å; F207-I327 HydrophobicContact CE2-CG1 4.14Å; Y323-I327 HydrophobicContact CE1-CD1 4.33Å; Y323-I327 WeakPolarHBondContact O-CB 3.27Å; Y323-I327 PolarHBondContact O-N 2.92Å; L324-I327 HydrophobicContact CD2-CG2 4.26Å; L324-I327 WeakPolarHBondContact O-CG2 3.23Å; L324-I327 PolarHBondContact O-N 3.39Å; I327-C330 WeakPolarHBondContact O-CB 3.37Å; I327-C330 PolarHBondContact O-N 2.86Å; I327-A331 PolarHBondContact O-N 2.94Å
328F94.7Very high94.6Very high65 Ų6531.3 Ų31.329%0.28515%0.147SC..Hα-helixtrans-67.3-45.6174.1-72.8-51.1000111.8L324 C330 A331 W332L324-F328 HydrophobicContact CB-CE2 4.37Å; L324-F328 HydrophobicContact CD2-CE2 4.41Å; L324-F328 WeakPolarHBondContact O-CD2 3.4Å; L324-F328 WeakPolarHBondContact O-CG 3.29Å; L324-F328 PolarHBondContact O-N 2.77Å; F328-C330 VanDerWaalsContact C-N 3.26Å; F328-C330 PolarHBondContact O-N 3.19Å; F328-A331 PolarHBondContact O-N 2.93Å; F328-A331 VanDerWaalsContact O-N 3.12Å; F328-W332 HydrophobicContact CB-CH2 4.38Å; F328-W332 HydrophobicContact CB-CZ2 3.95Å; F328-W332 HydrophobicContact CG-CZ2 4.48Å; F328-W332 VanDerWaalsContact O-CD1 3.3Å; F328-W332 PolarHBondContact O-N 3.26Å
329F96.1Very high94.1Very high54 Ų5431.1 Ų31.124%0.23715%0.147CC..Hα-helixtrans-57.7-43176.2-163.2-70.8000111L325 E326 A331 W332 C333 A345 R348 V351 L352L325-F329 VanDerWaalsContact O-CB 3.32Å; L325-F329 WeakPolarHBondContact O-CB 3.45Å; L325-F329 PolarHBondContact O-N 3.07Å; E326-F329 PolarHBondContact O-N 3.25Å; F329-A331 PolarHBondContact O-N 3.3Å; F329-W332 PolarHBondContact O-N 3.09Å; F329-C333 PolarHBondContact O-N 2.85Å; F329-C333 PolarHBondContact O-SG 3.22Å; F329-A345 HydrophobicContact CD1-CB 4.39Å; F329-A345 HydrophobicContact CE1-CB 4.11Å; F329-A345 HydrophobicContact CE2-CB 4.28Å; F329-A345 HydrophobicContact CZ-CB 4.06Å; F329-R348 HydrophobicContact CE1-CB 4.05Å; F329-R348 WeakPolarHBondContact CE1-O 3.22Å; F329-R348 HydrophobicContact CZ-CB 4.13Å; F329-V351 HydrophobicContact CZ-CG1 4.43Å; F329-L352 HydrophobicContact CB-CD1 4.09Å; F329-L352 HydrophobicContact CD1-CB 3.77Å; F329-L352 HydrophobicContact CD1-CD1 4.08Å; F329-L352 HydrophobicContact CD1-CD2 4.05Å; F329-L352 HydrophobicContact CD1-CG 4.18Å; F329-L352 HydrophobicContact CE1-CB 3.94Å; F329-L352 HydrophobicContact CG-CD1 4.18Å
330C95.8Very high93.5Very high3 Ų336.1 Ų36.12%0.0218%0.179CC..Hα-helixtrans-59.6-43.6175.6-174.40000112.6F207 E326 I327 F328 C333 L352F207-C330 HydrophobicContact CE2-CB 4.19Å; F207-C330 HydrophobicContact CZ-CB 3.72Å; E326-C330 VanDerWaalsContact O-CB 3.26Å; E326-C330 WeakPolarHBondContact O-CB 3.47Å; E326-C330 PolarHBondContact O-N 3.29Å; I327-C330 WeakPolarHBondContact O-CB 3.37Å; I327-C330 PolarHBondContact O-N 2.86Å; F328-C330 VanDerWaalsContact C-N 3.26Å; F328-C330 PolarHBondContact O-N 3.19Å; C330-C333 WeakPolarHBondContact O-CB 3.39Å; C330-C333 PolarHBondContact O-N 3.15Å; C330-L352 HydrophobicContact CB-CD2 3.79Å
331A93.8Very high92.9Very high11 Ų1138 Ų389%0.09120%0.2CC..Hα-helixtrans-63.4-42.817500000111.7I327 F328 F329 C333 T334 A335 Y473I327-A331 PolarHBondContact O-N 2.94Å; F328-A331 PolarHBondContact O-N 2.93Å; F328-A331 VanDerWaalsContact O-N 3.12Å; F329-A331 PolarHBondContact O-N 3.3Å; A331-C333 VanDerWaalsContact C-N 3.29Å; A331-C333 PolarHBondContact O-N 2.94Å; A331-T334 PolarHBondContact O-N 2.97Å; A331-T334 VanDerWaalsContact O-N 3.16Å; A331-A335 WeakPolarHBondContact O-CB 3.19Å; A331-A335 PolarHBondContact O-N 2.94Å; A331-Y473 HydrophobicContact CB-CD1 3.86Å; A331-Y473 HydrophobicContact CB-CD2 4.33Å; A331-Y473 HydrophobicContact CB-CE1 3.87Å; A331-Y473 HydrophobicContact CB-CE2 4.31Å; A331-Y473 HydrophobicContact CB-CG 4.1Å
332W93.5Very high92.4Very high83 Ų8335.2 Ų35.231%0.31419%0.186SC..Hα-helixtrans-68.4-24.9-179.6-57.8-16.2000113.3F328 F329 T334 F336 V339 A345F328-W332 HydrophobicContact CB-CH2 4.38Å; F328-W332 HydrophobicContact CB-CZ2 3.95Å; F328-W332 HydrophobicContact CG-CZ2 4.48Å; F328-W332 VanDerWaalsContact O-CD1 3.3Å; F328-W332 PolarHBondContact O-N 3.26Å; F329-W332 PolarHBondContact O-N 3.09Å; W332-T334 PolarHBondContact O-N 3.32Å; W332-T334 VanDerWaalsContact O-N 3.11Å; W332-F336 WeakPolarHBondContact O-CA 3.18Å; W332-F336 WeakPolarHBondContact O-CB 3.24Å; W332-F336 PolarHBondContact O-N 3.47Å; W332-F336 VanDerWaalsContact O-N 3.12Å; W332-V339 HydrophobicContact CZ2-CG1 4.17Å; W332-A345 HydrophobicContact CB-CB 3.67Å
333C94Very high92.1Very high0 Ų037.2 Ų37.20%020%0.202CC..Hα-helixtrans-54.9-30.8171.8-68.60000112.9F329 C330 A331 A345 E347F329-C333 PolarHBondContact O-N 2.85Å; F329-C333 PolarHBondContact O-SG 3.22Å; C330-C333 WeakPolarHBondContact O-CB 3.39Å; C330-C333 PolarHBondContact O-N 3.15Å; A331-C333 VanDerWaalsContact C-N 3.29Å; A331-C333 PolarHBondContact O-N 2.94Å; C333-A345 WeakPolarHBondContact CA-O 3.48Å; C333-E347 PolarHBondContact O-N 2.82Å
334T91.4Very high91.8Very high4 Ų446.9 Ų46.93%0.02524%0.241CC..Hα-helixtrans-105.2-49.4-179.3-47.10000111.1A331 W332 F336 K471 Y473 H500 W502A331-T334 PolarHBondContact O-N 2.97Å; A331-T334 VanDerWaalsContact O-N 3.16Å; W332-T334 PolarHBondContact O-N 3.32Å; W332-T334 VanDerWaalsContact O-N 3.11Å; T334-F336 VanDerWaalsContact C-N 3.29Å; T334-F336 PolarHBondContact O-N 3.22Å; T334-K471 WeakPolarHBondContact OG1-CE 3.37Å; T334-Y473 PolarHBondContact OG1-OH 3.34Å; T334-H500 WeakPolarHBondContact CG2-O 3.46Å; T334-W502 HydrophobicContact CG2-CD2 4.16Å; T334-W502 HydrophobicContact CG2-CE3 3.91Å; T334-W502 HydrophobicContact CG2-CH2 3.57Å; T334-W502 HydrophobicContact CG2-CZ2 3.88Å; T334-W502 HydrophobicContact CG2-CZ3 3.64Å
335A90.5Very high91.6Very high5 Ų546.3 Ų46.34%0.04124%0.238CC..Hα-helixtrans-88.221.6-174.300000114A331 K337 F338 W502A331-A335 WeakPolarHBondContact O-CB 3.19Å; A331-A335 PolarHBondContact O-N 2.94Å; A335-K337 PolarHBondContact O-N 2.76Å; A335-F338 HydrophobicContact CB-CD2 4.17Å; A335-F338 PolarHBondContact O-N 3.41Å; A335-W502 HydrophobicContact CB-CH2 4.05Å; A335-W502 HydrophobicContact CB-CZ2 4.32Å
336F89.7Confident91.5Very high5 Ų544.3 Ų44.32%0.02222%0.223CC..G310 helixtrans-54.8-30.7-169.560.1-90.3000114.2W332 T334 F338 G342 R346 G525 I527W332-F336 WeakPolarHBondContact O-CA 3.18Å; W332-F336 WeakPolarHBondContact O-CB 3.24Å; W332-F336 PolarHBondContact O-N 3.47Å; W332-F336 VanDerWaalsContact O-N 3.12Å; T334-F336 VanDerWaalsContact C-N 3.29Å; T334-F336 PolarHBondContact O-N 3.22Å; F336-F338 VanDerWaalsContact C-N 3.29Å; F336-F338 PolarHBondContact O-N 2.85Å; F336-G342 VanDerWaalsContact CB-C 3.43Å; F336-G342 VanDerWaalsContact CB-O 3.23Å; F336-G342 WeakPolarHBondContact CB-O 3.48Å; F336-R346 HydrophobicContact CB-CB 4.3Å; F336-R346 HydrophobicContact CD1-CB 4.02Å; F336-R346 HydrophobicContact CD1-CG 3.84Å; F336-R346 HydrophobicContact CD2-CB 4.27Å; F336-R346 HydrophobicContact CD2-CG 4.31Å; F336-R346 HydrophobicContact CE1-CB 4.36Å; F336-R346 HydrophobicContact CE1-CG 3.68Å; F336-R346 HydrophobicContact CE2-CG 4.18Å; F336-R346 HydrophobicContact CG-CB 3.95Å; F336-R346 HydrophobicContact CG-CG 4.14Å; F336-R346 HydrophobicContact CZ-CG 3.82Å; F336-G525 WeakPolarHBondContact CZ-O 3.43Å; F336-I527 HydrophobicContact CE1-CD1 4.47Å
337K87Confident91.3Very high88 Ų8847.6 Ų47.638%0.38324%0.239SC..G310 helixtrans-68.6-28.8-178.1-170.366.6168.9-157.80112.7A335 E524 D554A335-K337 PolarHBondContact O-N 2.76Å; K337-E524 PolarHBondContact NZ-O 2.89Å; K337-D554 WeakPolarHBondContact CE-OD1 3.37Å; K337-D554 WeakPolarHBondContact CE-OD2 3.44Å; K337-D554 IonicContact NZ-OD1 2.79Å; K337-D554 PolarHBondContact NZ-OD1 2.97Å; K337-D554 IonicContact NZ-OD2 3.74Å
338F84.4Confident91.3Very high44 Ų4452.1 Ų52.119%0.19326%0.255CS..G310 helixtrans-94.3-0.1-173.6-49.9-66.3000113.5L37 A335 F336 W502 N551L37-F338 HydrophobicContact CB-CD1 3.93Å; L37-F338 HydrophobicContact CB-CE1 3.92Å; L37-F338 HydrophobicContact CD1-CE1 4.42Å; L37-F338 HydrophobicContact CD2-CE1 4.2Å; L37-F338 HydrophobicContact CD2-CZ 4.22Å; L37-F338 HydrophobicContact CG-CE1 4.41Å; L37-F338 VanDerWaalsContact O-CD1 3.25Å; L37-F338 WeakPolarHBondContact O-CD1 3.46Å; A335-F338 HydrophobicContact CB-CD2 4.17Å; A335-F338 PolarHBondContact O-N 3.41Å; F336-F338 VanDerWaalsContact C-N 3.29Å; F336-F338 PolarHBondContact O-N 2.85Å; F338-W502 HydrophobicContact CE2-CZ2 4.39Å; F338-N551 VanDerWaalsContact CE1-ND2 3.26Å; F338-N551 WeakPolarHBondContact CE1-ND2 3.3Å; F338-N551 WeakPolarHBondContact CZ-ND2 3.45Å
339V85.9Confident91.3Very high27 Ų2749.4 Ų49.416%0.16424%0.243CC..SBendtrans-128.9132.5-175.7-170.30000111.4W332 G341 G342W332-V339 HydrophobicContact CZ2-CG1 4.17Å; V339-G341 PolarHBondContact O-N 3.4Å; V339-G342 PolarHBondContact O-N 2.75Å
340P84.7Confident91.3Very high104 Ų10449.3 Ų49.368%0.67525%0.245SC*.THydrogen-bonded Turntrans-54.1125.8174.2-26.635.1000112.4G342P340-G342 PolarHBondContact O-N 3.05Å
341G86.4Confident91.4Very high43 Ų4351.7 Ų51.744%0.44326%0.26SS..THydrogen-bonded Turntrans76.90.7-17800000115V339 V343 Y344V339-G341 PolarHBondContact O-N 3.4Å; G341-V343 PolarHBondContact O-N 2.9Å; G341-V343 VanDerWaalsContact O-N 3.12Å; G341-Y344 VanDerWaalsContact O-CD2 3.26Å; G341-Y344 WeakPolarHBondContact O-CD2 3.31Å; G341-Y344 PolarHBondContact O-N 3.05Å
342G87.5Confident91.6Very high0 Ų051.5 Ų51.50%026%0.257CS..G310 helixtrans-57.6-27.9-179.900000113.7F336 V339 P340 Y344 A345 R346F336-G342 VanDerWaalsContact CB-C 3.43Å; F336-G342 VanDerWaalsContact CB-O 3.23Å; F336-G342 WeakPolarHBondContact CB-O 3.48Å; V339-G342 PolarHBondContact O-N 2.75Å; P340-G342 PolarHBondContact O-N 3.05Å; G342-Y344 PolarHBondContact O-N 3.07Å; G342-A345 WeakPolarHBondContact O-CA 3.37Å; G342-A345 PolarHBondContact O-N 2.87Å; G342-R346 PolarHBondContact O-N 3.25Å
343V91Very high91.7Very high103 Ų10347.7 Ų47.762%0.62424%0.243SC*.G310 helixtrans-53.4-30.7178.4-1730000112.6G341 A345 R346G341-V343 PolarHBondContact O-N 2.9Å; G341-V343 VanDerWaalsContact O-N 3.12Å; V343-A345 VanDerWaalsContact C-N 3.3Å; V343-A345 PolarHBondContact O-N 3.32Å; V343-R346 WeakPolarHBondContact O-CB 3.42Å; V343-R346 PolarHBondContact O-N 3.38Å
344Y92.8Very high91.9Very high206 Ų20649.5 Ų49.581%0.80826%0.262SS*.G310 helixtrans-73.1-21.9177-60.1-65000113.7G341 G342G341-Y344 VanDerWaalsContact O-CD2 3.26Å; G341-Y344 WeakPolarHBondContact O-CD2 3.31Å; G341-Y344 PolarHBondContact O-N 3.05Å; G342-Y344 PolarHBondContact O-N 3.07Å
345A94.5Very high92.2Very high2 Ų252.4 Ų52.42%0.01728%0.279CS..THydrogen-bonded Turntrans-96.3-8.4176.900000112.9F329 W332 C333 G342 V343 E347 R348F329-A345 HydrophobicContact CD1-CB 4.39Å; F329-A345 HydrophobicContact CE1-CB 4.11Å; F329-A345 HydrophobicContact CE2-CB 4.28Å; F329-A345 HydrophobicContact CZ-CB 4.06Å; W332-A345 HydrophobicContact CB-CB 3.67Å; C333-A345 WeakPolarHBondContact CA-O 3.48Å; G342-A345 WeakPolarHBondContact O-CA 3.37Å; G342-A345 PolarHBondContact O-N 2.87Å; V343-A345 VanDerWaalsContact C-N 3.3Å; V343-A345 PolarHBondContact O-N 3.32Å; A345-E347 PolarHBondContact O-N 3.25Å; A345-R348 WeakPolarHBondContact O-CB 3.38Å; A345-R348 PolarHBondContact O-N 2.81Å
346R94.3Very high92.6Very high60 Ų6052.1 Ų52.123%0.22628%0.277CS..THydrogen-bonded Turntrans-47.1114.4-179176.3176.5176.6166.47.6111.4F336 G342 V343 R348 S522 P523F336-R346 HydrophobicContact CB-CB 4.3Å; F336-R346 HydrophobicContact CD1-CB 4.02Å; F336-R346 HydrophobicContact CD1-CG 3.84Å; F336-R346 HydrophobicContact CD2-CB 4.27Å; F336-R346 HydrophobicContact CD2-CG 4.31Å; F336-R346 HydrophobicContact CE1-CB 4.36Å; F336-R346 HydrophobicContact CE1-CG 3.68Å; F336-R346 HydrophobicContact CE2-CG 4.18Å; F336-R346 HydrophobicContact CG-CB 3.95Å; F336-R346 HydrophobicContact CG-CG 4.14Å; F336-R346 HydrophobicContact CZ-CG 3.82Å; G342-R346 PolarHBondContact O-N 3.25Å; V343-R346 WeakPolarHBondContact O-CB 3.42Å; V343-R346 PolarHBondContact O-N 3.38Å; R346-R348 WeakPolarHBondContact O-CD 3.36Å; R346-R348 VanDerWaalsContact O-CG 3.3Å; R346-R348 WeakPolarHBondContact O-CG 3.41Å; R346-R348 PolarHBondContact O-N 3.47Å; R346-R348 VanDerWaalsContact O-N 3.15Å; R346-S522 PolarHBondContact NH2-O 3.37Å; R346-P523 PolarHBondContact NH1-O 3.1Å
347E94Very high93Very high80 Ų8052.1 Ų52.137%0.37428%0.278SS..THydrogen-bonded Turntrans60.820.1176.2-55.6166.6-110.900114.7C333 A345 S349 H500 I527C333-E347 PolarHBondContact O-N 2.82Å; A345-E347 PolarHBondContact O-N 3.25Å; E347-S349 PolarHBondContact O-N 3.45Å; E347-H500 VanDerWaalsContact CA-CD2 3.46Å; E347-H500 WeakPolarHBondContact CA-CD2 3.34Å; E347-H500 HydrophobicContact CG-CB 4.37Å; E347-I527 HydrophobicContact CG-CD1 3.26Å; E347-I527 WeakPolarHBondContact OE1-CD1 3.17Å
348R95.3Very high93.5Very high108 Ų10852.4 Ų52.441%0.40828%0.283SS..  trans-96.937.9-173.7-58-47.3-65-96.83.3114.8F329 A345 R346 D350 V351 L352F329-R348 HydrophobicContact CE1-CB 4.05Å; F329-R348 WeakPolarHBondContact CE1-O 3.22Å; F329-R348 HydrophobicContact CZ-CB 4.13Å; A345-R348 WeakPolarHBondContact O-CB 3.38Å; A345-R348 PolarHBondContact O-N 2.81Å; R346-R348 WeakPolarHBondContact O-CD 3.36Å; R346-R348 VanDerWaalsContact O-CG 3.3Å; R346-R348 WeakPolarHBondContact O-CG 3.41Å; R346-R348 PolarHBondContact O-N 3.47Å; R346-R348 VanDerWaalsContact O-N 3.15Å; R348-D350 VanDerWaalsContact C-OD1 3.24Å; R348-D350 WeakPolarHBondContact CA-OD1 3.41Å; R348-D350 IonicContact NE-OD1 3.49Å; R348-D350 PolarHBondContact NE-OD1 3.13Å; R348-D350 VanDerWaalsContact NE-OD1 3.15Å; R348-D350 IonicContact NE-OD2 2.64Å; R348-D350 IonicContact NH2-OD2 3.26Å; R348-D350 PolarHBondContact NH2-OD2 3.49Å; R348-D350 PolarHBondContact O-N 3.25Å; R348-V351 HydrophobicContact CB-CB 4.17Å; R348-V351 HydrophobicContact CB-CG2 4.13Å; R348-V351 VanDerWaalsContact CZ-CG2 3.48Å; R348-V351 PolarHBondContact O-N 3.39Å; R348-V351 VanDerWaalsContact O-N 3.13Å; R348-L352 PolarHBondContact O-N 3.15Å; R348-L352 VanDerWaalsContact O-N 3.12Å
349S95.2Very high94.1Very high7 Ų751.1 Ų51.15%0.04928%0.278CS..Hα-helixtrans-62.1-23.7172.5-880000113.4W211 E347 L353 H500W211-S349 WeakPolarHBondContact CZ2-OG 3.38Å; E347-S349 PolarHBondContact O-N 3.45Å; S349-L353 VanDerWaalsContact O-CB 3.31Å; S349-L353 WeakPolarHBondContact O-CB 3.47Å; S349-L353 PolarHBondContact O-N 3.22Å; S349-H500 PolarHBondContact OG-CE1 3.29Å
350D96Very high94.5Very high52 Ų5250.1 Ų50.128%0.27827%0.272SS..Hα-helixtrans-60.1-48.9170.265.9-35.6000111.9Y277 R348 G354Y277-D350 WeakPolarHBondContact OH-CB 3.35Å; R348-D350 VanDerWaalsContact C-OD1 3.24Å; R348-D350 WeakPolarHBondContact CA-OD1 3.41Å; R348-D350 IonicContact NE-OD1 3.49Å; R348-D350 PolarHBondContact NE-OD1 3.13Å; R348-D350 VanDerWaalsContact NE-OD1 3.15Å; R348-D350 IonicContact NE-OD2 2.64Å; R348-D350 IonicContact NH2-OD2 3.26Å; R348-D350 PolarHBondContact NH2-OD2 3.49Å; R348-D350 PolarHBondContact O-N 3.25Å; D350-G354 PolarHBondContact O-N 3Å
351V97.1Very high94.9Very high53 Ų5345.3 Ų45.332%0.32124%0.24SC..Hα-helixtrans-66.3-43.3179177.20000110.6F329 R348 G354 T355F329-V351 HydrophobicContact CZ-CG1 4.43Å; R348-V351 HydrophobicContact CB-CB 4.17Å; R348-V351 HydrophobicContact CB-CG2 4.13Å; R348-V351 VanDerWaalsContact CZ-CG2 3.48Å; R348-V351 PolarHBondContact O-N 3.39Å; R348-V351 VanDerWaalsContact O-N 3.13Å; V351-G354 PolarHBondContact O-N 3.38Å; V351-T355 VanDerWaalsContact O-CB 3.31Å; V351-T355 WeakPolarHBondContact O-CB 3.36Å; V351-T355 PolarHBondContact O-N 3.41Å; V351-T355 PolarHBondContact O-OG1 3.45Å
352L97.4Very high95.1Very high7 Ų746.1 Ų46.14%0.03723%0.234CC..Hα-helixtrans-58.8-53.3177.2179.857000110.9F207 W211 E326 F329 C330 R348 G354 T355 I356F207-L352 HydrophobicContact CE1-CD1 4.46Å; F207-L352 HydrophobicContact CE1-CD2 4.02Å; F207-L352 HydrophobicContact CE1-CG 4.36Å; F207-L352 HydrophobicContact CZ-CD2 4.11Å; W211-L352 HydrophobicContact CE3-CD2 4.44Å; W211-L352 HydrophobicContact CH2-CD2 3.88Å; W211-L352 HydrophobicContact CH2-CG 4.32Å; W211-L352 HydrophobicContact CZ2-CD2 4.41Å; W211-L352 HydrophobicContact CZ3-CD2 3.9Å; W211-L352 HydrophobicContact CZ3-CG 4.07Å; E326-L352 HydrophobicContact CB-CD1 3.97Å; E326-L352 HydrophobicContact CG-CD1 3.92Å; F329-L352 HydrophobicContact CB-CD1 4.09Å; F329-L352 HydrophobicContact CD1-CB 3.77Å; F329-L352 HydrophobicContact CD1-CD1 4.08Å; F329-L352 HydrophobicContact CD1-CD2 4.05Å; F329-L352 HydrophobicContact CD1-CG 4.18Å; F329-L352 HydrophobicContact CE1-CB 3.94Å; F329-L352 HydrophobicContact CG-CD1 4.18Å; C330-L352 HydrophobicContact CB-CD2 3.79Å; R348-L352 PolarHBondContact O-N 3.15Å; R348-L352 VanDerWaalsContact O-N 3.12Å; L352-G354 PolarHBondContact O-N 2.87Å; L352-T355 PolarHBondContact O-N 3.2Å; L352-I356 HydrophobicContact CD1-CD1 4.03Å; L352-I356 HydrophobicContact CG-CD1 4Å; L352-I356 WeakPolarHBondContact O-CD1 3.41Å; L352-I356 WeakPolarHBondContact O-CG1 3.46Å; L352-I356 PolarHBondContact O-N 3.44Å
353L97.5Very high95.3Very high3 Ų346.5 Ų46.52%0.01624%0.236CC..Hα-helixtrans-65.5-40.6-178.5-17057.5000112L208 W211 A272 L276 F290 S349 T355 I356 L357L208-L353 HydrophobicContact CD1-CD1 3.87Å; W211-L353 HydrophobicContact CZ3-CB 4.25Å; W211-L353 HydrophobicContact CZ3-CD1 4.22Å; A272-L353 HydrophobicContact CB-CD2 3.79Å; A272-L353 HydrophobicContact CB-CG 4.19Å; L276-L353 HydrophobicContact CD1-CB 4.19Å; L276-L353 HydrophobicContact CD1-CD2 3.48Å; L276-L353 VanDerWaalsContact CD1-CD2 3.48Å; L276-L353 HydrophobicContact CD1-CG 4.4Å; L276-L353 HydrophobicContact CG-CD2 3.81Å; F290-L353 HydrophobicContact CE1-CD1 4.22Å; F290-L353 HydrophobicContact CZ-CD1 3.98Å; S349-L353 VanDerWaalsContact O-CB 3.31Å; S349-L353 WeakPolarHBondContact O-CB 3.47Å; S349-L353 PolarHBondContact O-N 3.22Å; L353-T355 VanDerWaalsContact C-N 3.34Å; L353-T355 PolarHBondContact O-N 3.45Å; L353-I356 PolarHBondContact O-N 2.9Å; L353-L357 HydrophobicContact CD1-CD1 4.46Å; L353-L357 HydrophobicContact CG-CD1 4.11Å; L353-L357 WeakPolarHBondContact O-CD1 3.41Å; L353-L357 VanDerWaalsContact O-CG 3.26Å; L353-L357 WeakPolarHBondContact O-CG 3.44Å; L353-L357 PolarHBondContact O-N 2.79Å
354G97.9Very high95Very high38 Ų3843.4 Ų43.439%0.39222%0.216SC..Hα-helixtrans-60.7-41.2174.600000112.8D350 V351 L352 L357 L358D350-G354 PolarHBondContact O-N 3Å; V351-G354 PolarHBondContact O-N 3.38Å; L352-G354 PolarHBondContact O-N 2.87Å; G354-L357 PolarHBondContact O-N 3.45Å; G354-L358 WeakPolarHBondContact O-CB 3.34Å; G354-L358 PolarHBondContact O-N 3.3Å
355T98.1Very high94.6Very high65 Ų6538.1 Ų38.140%0.39920%0.201SC..Hα-helixtrans-65.3-46177.7-58.40000111.4V351 L352 L353 L357 L358 I359V351-T355 VanDerWaalsContact O-CB 3.31Å; V351-T355 WeakPolarHBondContact O-CB 3.36Å; V351-T355 PolarHBondContact O-N 3.41Å; V351-T355 PolarHBondContact O-OG1 3.45Å; L352-T355 PolarHBondContact O-N 3.2Å; L353-T355 VanDerWaalsContact C-N 3.34Å; L353-T355 PolarHBondContact O-N 3.45Å; T355-L357 VanDerWaalsContact C-N 3.34Å; T355-L357 PolarHBondContact O-N 2.47Å; T355-L358 PolarHBondContact O-N 2.71Å; T355-I359 HydrophobicContact CG2-CD1 3.94Å; T355-I359 VanDerWaalsContact O-CG1 3.29Å; T355-I359 WeakPolarHBondContact O-CG1 3.42Å; T355-I359 PolarHBondContact O-N 3.24Å
356I98.1Very high94Very high0 Ų045 Ų450%023%0.231CC..Hα-helixtrans-55.7-49.4175.5-73.1161.4000110.8F207 L208 W211 E326 L352 L353 L358 I359 I360F207-I356 HydrophobicContact CD1-CD1 3.53Å; F207-I356 HydrophobicContact CD1-CG1 4.46Å; F207-I356 HydrophobicContact CE1-CD1 3.6Å; L208-I356 HydrophobicContact CB-CG2 4.06Å; L208-I356 HydrophobicContact CD2-CG2 4.11Å; L208-I356 HydrophobicContact CG-CG2 4.48Å; W211-I356 HydrophobicContact CE3-CD1 4.5Å; W211-I356 HydrophobicContact CZ3-CD1 4.43Å; E326-I356 HydrophobicContact CG-CG1 4.3Å; L352-I356 HydrophobicContact CD1-CD1 4.03Å; L352-I356 HydrophobicContact CG-CD1 4Å; L352-I356 WeakPolarHBondContact O-CD1 3.41Å; L352-I356 WeakPolarHBondContact O-CG1 3.46Å; L352-I356 PolarHBondContact O-N 3.44Å; L353-I356 PolarHBondContact O-N 2.9Å; I356-L358 VanDerWaalsContact C-N 3.35Å; I356-L358 PolarHBondContact O-N 2.83Å; I356-I359 PolarHBondContact O-N 2.96Å; I356-I360 HydrophobicContact CG2-CD1 3.85Å; I356-I360 WeakPolarHBondContact O-CG1 3.5Å; I356-I360 PolarHBondContact O-N 2.98Å
357L97.7Very high92.9Very high5 Ų542.7 Ų42.73%0.02623%0.226CC..Hα-helixtrans-67.5-35.8-178.3-69.4167.2000112.5W265 T269 A272 F290 F293 L353 G354 T355 G361W265-L357 PolarHBondContact NE1-O 3.33Å; T269-L357 HydrophobicContact CG2-CD1 4.22Å; A272-L357 HydrophobicContact CB-CD1 3.51Å; F290-L357 HydrophobicContact CE2-CD2 3.87Å; F290-L357 HydrophobicContact CZ-CD2 4.27Å; F293-L357 HydrophobicContact CE1-CD2 3.97Å; L353-L357 HydrophobicContact CD1-CD1 4.46Å; L353-L357 HydrophobicContact CG-CD1 4.11Å; L353-L357 WeakPolarHBondContact O-CD1 3.41Å; L353-L357 VanDerWaalsContact O-CG 3.26Å; L353-L357 WeakPolarHBondContact O-CG 3.44Å; L353-L357 PolarHBondContact O-N 2.79Å; G354-L357 PolarHBondContact O-N 3.45Å; T355-L357 VanDerWaalsContact C-N 3.34Å; T355-L357 PolarHBondContact O-N 2.47Å; L357-G361 PolarHBondContact O-N 2.92Å
358L97.1Very high91.6Very high93 Ų9340.2 Ų40.249%0.48722%0.217SC..Hα-helixtrans-62.1-48173.1179.163.8000110.8G354 T355 I356 I360 G361 L362G354-L358 WeakPolarHBondContact O-CB 3.34Å; G354-L358 PolarHBondContact O-N 3.3Å; T355-L358 PolarHBondContact O-N 2.71Å; I356-L358 VanDerWaalsContact C-N 3.35Å; I356-L358 PolarHBondContact O-N 2.83Å; L358-I360 PolarHBondContact O-N 3.49Å; L358-G361 PolarHBondContact O-N 3.29Å; L358-L362 HydrophobicContact CD1-CD1 4.24Å; L358-L362 HydrophobicContact CD1-CG 4.19Å; L358-L362 HydrophobicContact CG-CD1 4.08Å; L358-L362 HydrophobicContact CG-CG 4.43Å; L358-L362 WeakPolarHBondContact O-CB 3.41Å; L358-L362 VanDerWaalsContact O-CG 3.25Å; L358-L362 WeakPolarHBondContact O-CG 3.16Å; L358-L362 PolarHBondContact O-N 3.19Å
359I96.6Very high90Very high18 Ų1845.2 Ų45.29%0.09224%0.241CC..Hα-helixtrans-61.7-46.4179.2-65.3164.8000110.7A200 A201 F322 T355 I356 L362 N363A200-I359 HydrophobicContact CB-CG2 3.79Å; A201-I359 HydrophobicContact CB-CG2 3.98Å; F322-I359 HydrophobicContact CD1-CD1 3.72Å; F322-I359 HydrophobicContact CE1-CD1 3.55Å; T355-I359 HydrophobicContact CG2-CD1 3.94Å; T355-I359 VanDerWaalsContact O-CG1 3.29Å; T355-I359 WeakPolarHBondContact O-CG1 3.42Å; T355-I359 PolarHBondContact O-N 3.24Å; I356-I359 PolarHBondContact O-N 2.96Å; I359-L362 PolarHBondContact O-N 2.65Å; I359-N363 PolarHBondContact O-N 2.93Å
360I94.7Very high88.2Confident6 Ų651.1 Ų51.13%0.03127%0.266CS..Hα-helixtrans-60.6-46.5176.6-68.2170.8000110.3L205 L208 F293 M297 I356 L358 N363 M364L205-I360 HydrophobicContact CB-CD1 4.4Å; L205-I360 HydrophobicContact CD1-CD1 4.31Å; L208-I360 HydrophobicContact CD2-CD1 4.1Å; F293-I360 HydrophobicContact CZ-CG2 4.27Å; M297-I360 HydrophobicContact CG-CG2 4.19Å; M297-I360 HydrophobicContact SD-CG2 4.42Å; I356-I360 HydrophobicContact CG2-CD1 3.85Å; I356-I360 WeakPolarHBondContact O-CG1 3.5Å; I356-I360 PolarHBondContact O-N 2.98Å; L358-I360 PolarHBondContact O-N 3.49Å; I360-N363 PolarHBondContact O-N 3Å; I360-M364 HydrophobicContact CG2-SD 4.26Å; I360-M364 WeakPolarHBondContact O-CG 3.46Å; I360-M364 PolarHBondContact O-N 3.45Å
361G92.8Very high86.3Confident2 Ų251.2 Ų51.22%0.02127%0.266CS..Hα-helixtrans-62-44.4178.500000113.6W265 L357 L358 N363 M364 L365W265-G361 VanDerWaalsContact NE1-CA 3.32Å; L357-G361 PolarHBondContact O-N 2.92Å; L358-G361 PolarHBondContact O-N 3.29Å; G361-N363 VanDerWaalsContact C-N 3.3Å; G361-N363 PolarHBondContact O-N 2.95Å; G361-M364 WeakPolarHBondContact O-CB 3.29Å; G361-M364 PolarHBondContact O-N 3.17Å; G361-M364 VanDerWaalsContact O-N 3.13Å; G361-L365 WeakPolarHBondContact O-CG 3.21Å; G361-L365 PolarHBondContact O-N 3.38Å
362L92.1Very high84.1Confident61 Ų6149.4 Ų49.432%0.31926%0.255SS..Hα-helixtrans-60-41.9174.3-71.4174.3000111.1L197 L358 I359 M364 L365 F366L197-L362 HydrophobicContact CD1-CB 3.9Å; L197-L362 HydrophobicContact CD2-CB 4.3Å; L358-L362 HydrophobicContact CD1-CD1 4.24Å; L358-L362 HydrophobicContact CD1-CG 4.19Å; L358-L362 HydrophobicContact CG-CD1 4.08Å; L358-L362 HydrophobicContact CG-CG 4.43Å; L358-L362 WeakPolarHBondContact O-CB 3.41Å; L358-L362 VanDerWaalsContact O-CG 3.25Å; L358-L362 WeakPolarHBondContact O-CG 3.16Å; L358-L362 PolarHBondContact O-N 3.19Å; I359-L362 PolarHBondContact O-N 2.65Å; L362-M364 VanDerWaalsContact C-N 3.33Å; L362-M364 PolarHBondContact O-N 2.88Å; L362-L365 PolarHBondContact O-N 3.45Å; L362-F366 HydrophobicContact CB-CD2 4.42Å; L362-F366 HydrophobicContact CD2-CD2 4.02Å; L362-F366 HydrophobicContact CD2-CE2 3.69Å; L362-F366 WeakPolarHBondContact O-CB 3.34Å; L362-F366 WeakPolarHBondContact O-CD2 3.29Å; L362-F366 PolarHBondContact O-N 2.89Å
363N90.2Very high81.7Confident7 Ų752 Ų524%0.03727%0.269CS..Hα-helixtrans-68.3-30.1175.8-179.161.4000113.1L197 A201 H304 I359 I360 G361 G367L197-N363 HydrophobicContact CD1-CB 4.33Å; L197-N363 HydrophobicContact CG-CB 4.07Å; A201-N363 HydrophobicContact CB-CB 3.31Å; H304-N363 PolarHBondContact CE1-O 3.23Å; H304-N363 PolarHBondContact ND1-ND2 3.19Å; H304-N363 PolarHBondContact ND1-O 3Å; H304-N363 PolarHBondContact ND1-OD1 2.97Å; I359-N363 PolarHBondContact O-N 2.93Å; I360-N363 PolarHBondContact O-N 3Å; G361-N363 VanDerWaalsContact C-N 3.3Å; G361-N363 PolarHBondContact O-N 2.95Å; N363-G367 WeakPolarHBondContact O-CA 3.43Å; N363-G367 PolarHBondContact O-N 2.71Å
364M86.4Confident79.4Confident39 Ų3957.9 Ų57.919%0.19230%0.299CS..Hα-helixtrans-67.4-40.8171.7-68.517272.300111.8G261 W265 F293 M297 I360 G361 L362G261-M364 WeakPolarHBondContact O-CE 3.46Å; W265-M364 HydrophobicContact CB-CE 4.28Å; W265-M364 HydrophobicContact CB-SD 4.12Å; F293-M364 HydrophobicContact CE2-SD 4.43Å; F293-M364 HydrophobicContact CZ-SD 4.42Å; M297-M364 HydrophobicContact CE-CE 3.99Å; M297-M364 HydrophobicContact CE-SD 4.44Å; M297-M364 HydrophobicContact SD-CE 3.73Å; M297-M364 HydrophobicContact SD-CG 3.95Å; M297-M364 HydrophobicContact SD-SD 3.41Å; I360-M364 HydrophobicContact CG2-SD 4.26Å; I360-M364 WeakPolarHBondContact O-CG 3.46Å; I360-M364 PolarHBondContact O-N 3.45Å; G361-M364 WeakPolarHBondContact O-CB 3.29Å; G361-M364 PolarHBondContact O-N 3.17Å; G361-M364 VanDerWaalsContact O-N 3.13Å; L362-M364 VanDerWaalsContact C-N 3.33Å; L362-M364 PolarHBondContact O-N 2.88Å
365L83.9Confident77Confident95 Ų9558.6 Ų58.650%0.49729%0.294SS..Hα-helixtrans-77.9-43.4-176.4-68171.8000113.1L262 G361 L362L262-L365 HydrophobicContact CD1-CD2 4.45Å; G361-L365 WeakPolarHBondContact O-CG 3.21Å; G361-L365 PolarHBondContact O-N 3.38Å; L362-L365 PolarHBondContact O-N 3.45Å
366F82.3Confident74.7Confident146 Ų14656.1 Ų56.164%0.6428%0.278SS*.Hα-helixtrans-105.6-1.1-173.5-59.6-69.1000113.5L197 L362L197-F366 HydrophobicContact CD2-CB 4.09Å; L362-F366 HydrophobicContact CB-CD2 4.42Å; L362-F366 HydrophobicContact CD2-CD2 4.02Å; L362-F366 HydrophobicContact CD2-CE2 3.69Å; L362-F366 WeakPolarHBondContact O-CB 3.34Å; L362-F366 WeakPolarHBondContact O-CD2 3.29Å; L362-F366 PolarHBondContact O-N 2.89Å
367G71.1Confident72.4Confident12 Ų1260.2 Ų60.212%0.12430%0.298CS..SBendtrans-67162.1178.600000113.4N363 K369N363-G367 WeakPolarHBondContact O-CA 3.43Å; N363-G367 PolarHBondContact O-N 2.71Å; G367-K369 PolarHBondContact O-N 3.42Å
368P66.2Low69.7Low28 Ų2865.2 Ų65.218%0.18233%0.328CS..  trans-59.1120.6177-18.229.3000111.2P193 H304 K370P193-P368 HydrophobicContact CB-CG 3.88Å; H304-P368 PolarHBondContact NE2-O 3.28Å; P368-K370 PolarHBondContact O-N 3.1Å
369K61.6Low67.1Low212 Ų21267.6 Ų67.692%0.92234%0.335SS*.SBendtrans-61.4-2179.9-63-173.5178.9-177.50115.5G367G367-K369 PolarHBondContact O-N 3.42Å
370K57Low64.9Low131 Ų13172.9 Ų72.957%0.5736%0.363SS*.  trans-92.6106.9179.4-65.1-174.9179.8179.90109.6N307 P368 L375N307-K370 PolarHBondContact ND2-O 2.78Å; P368-K370 PolarHBondContact O-N 3.1Å; K370-L375 HydrophobicContact CB-CD1 3.51Å; K370-L375 HydrophobicContact CB-CG 4.03Å; K370-L375 HydrophobicContact CD-CD1 4.43Å; K370-L375 HydrophobicContact CD-CD2 4.18Å; K370-L375 HydrophobicContact CD-CG 4.43Å
371N55.7Low62.6Low54 Ų5477.1 Ų77.129%0.28939%0.394SS..  trans-66.7155.8175.8-94.8-34.4000112.9D373 L374 L375N371-D373 PolarHBondContact O-N 3.48Å; N371-L374 PolarHBondContact O-N 2.9Å; N371-L374 VanDerWaalsContact O-N 3.11Å; N371-L375 PolarHBondContact O-N 2.76Å
372L52Low61Low15 Ų1578.5 Ų78.58%0.07940%0.403CS..Hα-helixtrans-51.1-42.2175.8-171.766.2000112.1I123 L375 L376I123-L372 HydrophobicContact CD1-CD1 4.28Å; I123-L372 HydrophobicContact CG2-CD2 4.47Å; L372-L375 PolarHBondContact O-N 2.98Å; L372-L376 HydrophobicContact CD1-CD1 4Å; L372-L376 HydrophobicContact CG-CD1 3.96Å; L372-L376 WeakPolarHBondContact O-CD1 3.34Å; L372-L376 VanDerWaalsContact O-CG 3.29Å; L372-L376 WeakPolarHBondContact O-CG 3.47Å; L372-L376 PolarHBondContact O-N 3.16Å
373D47.1Very low59.7Low62 Ų6279.8 Ų79.833%0.33241%0.406SS..Hα-helixtrans-69.5-33.5-179.8-70.4-26.4000114.1N371 L375 Q377N371-D373 PolarHBondContact O-N 3.48Å; D373-L375 VanDerWaalsContact C-N 3.33Å; D373-Q377 VanDerWaalsContact O-CD 3.28Å; D373-Q377 WeakPolarHBondContact O-CG 3.14Å; D373-Q377 PolarHBondContact O-NE2 3.29Å
374L48.4Very low58.9Low126 Ų12684.5 Ų84.566%0.6644%0.435SS*.Hα-helixtrans-76.4-25.2-178.2-153.987.7000111.7N371N371-L374 PolarHBondContact O-N 2.9Å; N371-L374 VanDerWaalsContact O-N 3.11Å
375L47.8Very low58.2Low53 Ų5385.2 Ų85.228%0.27744%0.439SS..Hα-helixtrans-91.8-20.9-175.7-85.5159.6000114.3H116 N307 K370 N371 L372 D373H116-L375 PolarHBondContact CE1-O 3.03Å; N307-L375 VanDerWaalsContact CG-CD1 3.44Å; N307-L375 WeakPolarHBondContact ND2-CD1 3.31Å; N307-L375 WeakPolarHBondContact OD1-CD1 3.43Å; K370-L375 HydrophobicContact CB-CD1 3.51Å; K370-L375 HydrophobicContact CB-CG 4.03Å; K370-L375 HydrophobicContact CD-CD1 4.43Å; K370-L375 HydrophobicContact CD-CD2 4.18Å; K370-L375 HydrophobicContact CD-CG 4.43Å; N371-L375 PolarHBondContact O-N 2.76Å; L372-L375 PolarHBondContact O-N 2.98Å; D373-L375 VanDerWaalsContact C-N 3.33Å
376L49.6Very low57.8Low13 Ų1381.3 Ų81.37%0.06842%0.418CS..Hα-helixtrans-90.8-9.2176.8-62.3169.9000112.8H116 Y120 L372 F386H116-L376 HydrophobicContact CB-CD2 3.75Å; H116-L376 WeakPolarHBondContact ND1-CD2 3.47Å; H116-L376 WeakPolarHBondContact O-CD2 3.42Å; Y120-L376 HydrophobicContact CD2-CD1 3.44Å; Y120-L376 VanDerWaalsContact CD2-CD1 3.44Å; Y120-L376 HydrophobicContact CE2-CD1 4.37Å; Y120-L376 HydrophobicContact CG-CD1 4.06Å; L372-L376 HydrophobicContact CD1-CD1 4Å; L372-L376 HydrophobicContact CG-CD1 3.96Å; L372-L376 WeakPolarHBondContact O-CD1 3.34Å; L372-L376 VanDerWaalsContact O-CG 3.29Å; L372-L376 WeakPolarHBondContact O-CG 3.47Å; L372-L376 PolarHBondContact O-N 3.16Å; L376-F386 HydrophobicContact CB-CE1 4.02Å; L376-F386 HydrophobicContact CB-CE2 4.43Å; L376-F386 HydrophobicContact CB-CZ 3.83Å; L376-F386 HydrophobicContact CD1-CE1 4.28Å; L376-F386 VanDerWaalsContact O-CE2 3.22Å; L376-F386 WeakPolarHBondContact O-CE2 3.32Å
377Q49.2Very low57.7Low87 Ų8783.8 Ų83.841%0.40742%0.423SS..  trans-10661.6-174.1-68.5-179.626.800114.1D373D373-Q377 VanDerWaalsContact O-CD 3.28Å; D373-Q377 WeakPolarHBondContact O-CG 3.14Å; D373-Q377 PolarHBondContact O-NE2 3.29Å
378T42.3Very low58.3Low109 Ų10988.1 Ų88.167%0.66944%0.439SS*.  trans-106.42.1178.439.40000116.2
379K42.9Very low59Low143 Ų14386.8 Ų86.862%0.62243%0.43SS*.SBendtrans-137.8138.2171.7-75.6-177.8179.9170.60114.2S381 S382 K383K379-S381 VanDerWaalsContact C-N 3.34Å; K379-S381 PolarHBondContact O-N 3.22Å; K379-S382 PolarHBondContact O-N 2.75Å; K379-S382 VanDerWaalsContact O-N 3.09Å; K379-S382 PolarHBondContact O-OG 2.94Å; K379-K383 PolarHBondContact O-N 3.24Å
380N48.8Very low60.2Low130 Ų13079.2 Ų79.270%0.69540%0.398SS*.Hα-helixtrans-58.8-32-173.8-80.5-13.3000115.3K383N380-K383 PolarHBondContact OD1-NZ 3.02Å
381S47.1Very low61.7Low95 Ų9580.1 Ų80.166%0.66440%0.401SS*.Hα-helixtrans-74.3-32.4175.859.10000113.5K379K379-S381 VanDerWaalsContact C-N 3.34Å; K379-S381 PolarHBondContact O-N 3.22Å
382S59.3Low63.3Low31 Ų3180 Ų8022%0.21740%0.397CS..Hα-helixtrans-70.5-31.5177.3690000112.4K379 V384 L385 F386K379-S382 PolarHBondContact O-N 2.75Å; K379-S382 VanDerWaalsContact O-N 3.09Å; K379-S382 PolarHBondContact O-OG 2.94Å; S382-V384 VanDerWaalsContact C-N 3.29Å; S382-V384 PolarHBondContact O-N 3.28Å; S382-L385 PolarHBondContact O-N 3.26Å; S382-F386 WeakPolarHBondContact O-CD2 3.43Å; S382-F386 PolarHBondContact O-N 3.49Å
383K65.8Low65.2Low88 Ų8879.5 Ų79.538%0.38340%0.395SS..Hα-helixtrans-57.7-38.3-179.7-72.1179.9-179.8169.60113.1K379 N380 R387K379-K383 PolarHBondContact O-N 3.24Å; N380-K383 PolarHBondContact OD1-NZ 3.02Å; K383-R387 WeakPolarHBondContact O-CB 3.32Å; K383-R387 PolarHBondContact O-N 2.95Å
384V72.5Confident67.3Low106 Ų10679.2 Ų79.264%0.64239%0.391SS*.Hα-helixtrans-67.1-44179.2179.10000111.1S382 K388S382-V384 VanDerWaalsContact C-N 3.29Å; S382-V384 PolarHBondContact O-N 3.28Å; V384-K388 WeakPolarHBondContact O-CB 3.31Å; V384-K388 PolarHBondContact O-N 2.94Å
385L72.8Confident69.5Low53 Ų5378 Ų7828%0.27738%0.384SS..Hα-helixtrans-67.5-40.7178-72.5168.1000112M1 L117 S382 K388 S389M1-L385 HydrophobicContact CE-CD1 3.86Å; M1-L385 HydrophobicContact CE-CD2 4.48Å; M1-L385 HydrophobicContact SD-CD2 4.08Å; L117-L385 HydrophobicContact CD2-CB 4.33Å; S382-L385 PolarHBondContact O-N 3.26Å; L385-K388 PolarHBondContact O-N 2.77Å; L385-S389 WeakPolarHBondContact O-CB 3.33Å; L385-S389 PolarHBondContact O-N 3.18Å; L385-S389 PolarHBondContact O-OG 3.32Å
386F74.3Confident71.9Confident14 Ų1476.3 Ų76.36%0.06138%0.375CS..Hα-helixtrans-60.1-50.8174.3-85-70.1000111.9H116 L117 Y120 L376 S382 K388 S389 E390H116-F386 HydrophobicContact CB-CE2 4.45Å; H116-F386 HydrophobicContact CB-CZ 3.95Å; L117-F386 HydrophobicContact CB-CE1 4.37Å; L117-F386 HydrophobicContact CB-CE2 4.48Å; L117-F386 HydrophobicContact CB-CZ 4Å; L117-F386 HydrophobicContact CD1-CD1 3.95Å; L117-F386 HydrophobicContact CD1-CE1 3.84Å; L117-F386 HydrophobicContact CD1-CG 4.41Å; L117-F386 HydrophobicContact CD1-CZ 4.21Å; Y120-F386 HydrophobicContact CD1-CD1 4.05Å; Y120-F386 HydrophobicContact CD1-CE1 4.1Å; Y120-F386 HydrophobicContact CD2-CE1 4.32Å; Y120-F386 HydrophobicContact CE1-CD1 4.43Å; Y120-F386 HydrophobicContact CG-CD1 4.11Å; Y120-F386 AromaticContact CG-CE1 3.79Å; Y120-F386 HydrophobicContact CG-CE1 3.79Å; L376-F386 HydrophobicContact CB-CE1 4.02Å; L376-F386 HydrophobicContact CB-CE2 4.43Å; L376-F386 HydrophobicContact CB-CZ 3.83Å; L376-F386 HydrophobicContact CD1-CE1 4.28Å; L376-F386 VanDerWaalsContact O-CE2 3.22Å; L376-F386 WeakPolarHBondContact O-CE2 3.32Å; S382-F386 WeakPolarHBondContact O-CD2 3.43Å; S382-F386 PolarHBondContact O-N 3.49Å; F386-K388 VanDerWaalsContact C-N 3.26Å; F386-K388 PolarHBondContact O-N 3.37Å; F386-S389 WeakPolarHBondContact CA-OG 3.19Å; F386-S389 PolarHBondContact O-N 3.31Å; F386-S389 PolarHBondContact O-OG 3.29Å; F386-E390 WeakPolarHBondContact O-CB 3.36Å; F386-E390 PolarHBondContact O-N 3.3Å
387R79.4Confident74.1Confident198 Ų19875.8 Ų75.875%0.74737%0.372SS*.Hα-helixtrans-60.7-36.7178.3-169.1176.9-178.4-174.40.5112.2K383 K391K383-R387 WeakPolarHBondContact O-CB 3.32Å; K383-R387 PolarHBondContact O-N 2.95Å; R387-K391 PolarHBondContact O-N 3.12Å; R387-K391 VanDerWaalsContact O-N 3.14Å
388K83.7Confident76.5Confident103 Ų10376.5 Ų76.545%0.44837%0.371SS..Hα-helixtrans-66.5-42.2173.9-168175.8-178.5177.30111.7L4 V384 L385 F386 K391 Y392L4-K388 HydrophobicContact CD2-CB 4.16Å; L4-K388 HydrophobicContact CD2-CD 4.38Å; L4-K388 HydrophobicContact CD2-CG 3.93Å; V384-K388 WeakPolarHBondContact O-CB 3.31Å; V384-K388 PolarHBondContact O-N 2.94Å; L385-K388 PolarHBondContact O-N 2.77Å; F386-K388 VanDerWaalsContact C-N 3.26Å; F386-K388 PolarHBondContact O-N 3.37Å; K388-K391 PolarHBondContact O-N 2.64Å; K388-Y392 HydrophobicContact CD-CE2 4.35Å; K388-Y392 WeakPolarHBondContact CE-OH 3.35Å; K388-Y392 HydrophobicContact CG-CD2 4.47Å; K388-Y392 HydrophobicContact CG-CE2 3.94Å; K388-Y392 PolarHBondContact O-N 2.92Å; K388-Y392 VanDerWaalsContact O-N 3.14Å
389S82.8Confident79.1Confident0 Ų076.2 Ų76.20%037%0.365CS..Hα-helixtrans-64.9-44.3177.972.50000111.9L4 Y120 L385 F386 K391 Y392 M393L4-S389 VanDerWaalsContact CD2-CA 3.41Å; Y120-S389 WeakPolarHBondContact CE1-OG 3.42Å; L385-S389 WeakPolarHBondContact O-CB 3.33Å; L385-S389 PolarHBondContact O-N 3.18Å; L385-S389 PolarHBondContact O-OG 3.32Å; F386-S389 WeakPolarHBondContact CA-OG 3.19Å; F386-S389 PolarHBondContact O-N 3.31Å; F386-S389 PolarHBondContact O-OG 3.29Å; S389-K391 VanDerWaalsContact C-N 3.34Å; S389-K391 PolarHBondContact O-N 3.49Å; S389-Y392 PolarHBondContact O-N 3.38Å; S389-M393 VanDerWaalsContact O-CG 3.3Å; S389-M393 WeakPolarHBondContact O-CG 3.48Å; S389-M393 PolarHBondContact O-N 2.84Å
390E85.1Confident81.7Confident52 Ų5270.3 Ų70.324%0.24334%0.34CS..Hα-helixtrans-59.3-45.2176.6-169.5-166.7158.400111.1F386 Y392 M393 K394F386-E390 WeakPolarHBondContact O-CB 3.36Å; F386-E390 PolarHBondContact O-N 3.3Å; E390-Y392 VanDerWaalsContact C-N 3.34Å; E390-Y392 PolarHBondContact O-N 2.76Å; E390-M393 PolarHBondContact O-N 3.13Å; E390-K394 HydrophobicContact CG-CD 4.27Å; E390-K394 WeakPolarHBondContact O-CB 3.36Å; E390-K394 VanDerWaalsContact O-CG 3.24Å; E390-K394 WeakPolarHBondContact O-CG 3.34Å; E390-K394 PolarHBondContact O-N 3.43Å; E390-K394 WeakPolarHBondContact OE1-CE 3.42Å; E390-K394 IonicContact OE1-NZ 3.69Å; E390-K394 PolarHBondContact OE1-NZ 3.39Å
391K88.9Confident84.1Confident150 Ų15064.3 Ų64.365%0.65231%0.308SS*.Hα-helixtrans-58.8-44.3175.6-175.8178.2178.6178.50112.1R387 K388 S389 L395R387-K391 PolarHBondContact O-N 3.12Å; R387-K391 VanDerWaalsContact O-N 3.14Å; K388-K391 PolarHBondContact O-N 2.64Å; S389-K391 VanDerWaalsContact C-N 3.34Å; S389-K391 PolarHBondContact O-N 3.49Å; K391-L395 WeakPolarHBondContact O-CB 3.33Å; K391-L395 PolarHBondContact O-N 2.88Å
392Y90.5Very high86.6Confident52 Ų5261.7 Ų61.720%0.20430%0.296CS..Hα-helixtrans-70.9-38.1179-67.9-19.4000112.8L4 W5 I8 K388 S389 E390 K394 L395 F396L4-Y392 HydrophobicContact CB-CD2 3.91Å; L4-Y392 HydrophobicContact CB-CE2 4.01Å; L4-Y392 HydrophobicContact CD2-CD2 3.56Å; L4-Y392 HydrophobicContact CD2-CE2 3.89Å; L4-Y392 HydrophobicContact CG-CD2 3.95Å; L4-Y392 HydrophobicContact CG-CE2 4.42Å; W5-Y392 AromaticContact CD1-CE2 3.94Å; W5-Y392 HydrophobicContact CD2-CD2 4.35Å; W5-Y392 HydrophobicContact CD2-CG 4.26Å; W5-Y392 AromaticContact CE2-CD1 3.67Å; W5-Y392 AromaticContact CE2-CG 3.67Å; W5-Y392 HydrophobicContact CG-CD2 4.39Å; W5-Y392 HydrophobicContact CH2-CD1 4.41Å; W5-Y392 HydrophobicContact CH2-CG 4.44Å; W5-Y392 WeakPolarHBondContact CH2-O 3.47Å; W5-Y392 AromaticContact CZ2-CD1 3.51Å; W5-Y392 HydrophobicContact CZ2-CD1 3.51Å; W5-Y392 HydrophobicContact CZ2-CE1 4.14Å; W5-Y392 AromaticContact CZ2-CG 3.77Å; W5-Y392 HydrophobicContact CZ2-CG 3.77Å; W5-Y392 AromaticContact NE1-CD1 3.73Å; W5-Y392 AromaticContact NE1-CD2 3.83Å; W5-Y392 AromaticContact NE1-CE1 3.62Å; W5-Y392 AromaticContact NE1-CE2 3.76Å; W5-Y392 AromaticContact NE1-CG 3.85Å; W5-Y392 AromaticContact NE1-CZ 3.65Å; I8-Y392 VanDerWaalsContact CD1-CB 3.46Å; K388-Y392 HydrophobicContact CD-CE2 4.35Å; K388-Y392 WeakPolarHBondContact CE-OH 3.35Å; K388-Y392 HydrophobicContact CG-CD2 4.47Å; K388-Y392 HydrophobicContact CG-CE2 3.94Å; K388-Y392 PolarHBondContact O-N 2.92Å; K388-Y392 VanDerWaalsContact O-N 3.14Å; S389-Y392 PolarHBondContact O-N 3.38Å; E390-Y392 VanDerWaalsContact C-N 3.34Å; E390-Y392 PolarHBondContact O-N 2.76Å; Y392-K394 VanDerWaalsContact C-N 3.34Å; Y392-K394 PolarHBondContact O-N 3.4Å; Y392-L395 PolarHBondContact O-N 2.99Å; Y392-F396 WeakPolarHBondContact O-CB 3.46Å; Y392-F396 PolarHBondContact O-N 3.14Å
393M90.9Very high88.4Confident4 Ų462.9 Ų62.92%0.0230%0.302CS..Hα-helixtrans-59.9-45.9173.5-70.2-55.6-16400111.3I8 L121 W124 L128 S389 E390 F396 L397I8-M393 HydrophobicContact CB-CE 4.09Å; I8-M393 HydrophobicContact CB-SD 3.94Å; I8-M393 HydrophobicContact CD1-CE 4.18Å; I8-M393 HydrophobicContact CD1-CG 4.15Å; I8-M393 HydrophobicContact CD1-SD 3.71Å; I8-M393 HydrophobicContact CG1-CE 3.49Å; I8-M393 VanDerWaalsContact CG1-CE 3.49Å; I8-M393 HydrophobicContact CG1-CG 4.48Å; I8-M393 HydrophobicContact CG1-SD 3.53Å; I8-M393 VanDerWaalsContact CG1-SD 3.53Å; I8-M393 HydrophobicContact CG2-CE 4Å; I8-M393 HydrophobicContact CG2-SD 3.3Å; I8-M393 WeakPolarHBondContact CG2-SD 3.15Å; L121-M393 HydrophobicContact CD2-CE 3.69Å; W124-M393 HydrophobicContact CB-CE 3.68Å; W124-M393 HydrophobicContact CB-CG 4.41Å; W124-M393 HydrophobicContact CB-SD 4.3Å; L128-M393 HydrophobicContact CD1-CB 4.42Å; L128-M393 HydrophobicContact CD1-CE 4.25Å; L128-M393 HydrophobicContact CD1-CG 4.38Å; L128-M393 HydrophobicContact CD1-SD 3.22Å; L128-M393 WeakPolarHBondContact CD1-SD 3.45Å; S389-M393 VanDerWaalsContact O-CG 3.3Å; S389-M393 WeakPolarHBondContact O-CG 3.48Å; S389-M393 PolarHBondContact O-N 2.84Å; E390-M393 PolarHBondContact O-N 3.13Å; M393-F396 PolarHBondContact O-N 3.09Å; M393-L397 WeakPolarHBondContact O-CB 3.32Å; M393-L397 PolarHBondContact O-N 2.92Å
394K92.1Very high90Very high57 Ų5758.7 Ų58.725%0.24828%0.284CS..Hα-helixtrans-62.5-44.7176.8-69.5178.4169.6174.60111.5M250 E390 Y392 F396 L397 W398M250-K394 HydrophobicContact CE-CG 3.92Å; M250-K394 HydrophobicContact SD-CB 4.21Å; M250-K394 HydrophobicContact SD-CD 3.93Å; M250-K394 HydrophobicContact SD-CG 3.63Å; E390-K394 HydrophobicContact CG-CD 4.27Å; E390-K394 WeakPolarHBondContact O-CB 3.36Å; E390-K394 VanDerWaalsContact O-CG 3.24Å; E390-K394 WeakPolarHBondContact O-CG 3.34Å; E390-K394 PolarHBondContact O-N 3.43Å; E390-K394 WeakPolarHBondContact OE1-CE 3.42Å; E390-K394 IonicContact OE1-NZ 3.69Å; E390-K394 PolarHBondContact OE1-NZ 3.39Å; Y392-K394 VanDerWaalsContact C-N 3.34Å; Y392-K394 PolarHBondContact O-N 3.4Å; K394-F396 VanDerWaalsContact C-N 3.34Å; K394-F396 PolarHBondContact O-N 3.01Å; K394-L397 PolarHBondContact O-N 2.69Å; K394-W398 PolarHBondContact O-N 3.28Å
395L94.9Very high91.2Very high99 Ų9956.8 Ų56.852%0.51827%0.269SS..Hα-helixtrans-63.1-41176.3-178.662.7000111.7W5 K391 Y392 W398 L399W5-L395 HydrophobicContact CH2-CB 4.02Å; W5-L395 HydrophobicContact CH2-CD2 3.72Å; W5-L395 HydrophobicContact CH2-CG 3.93Å; W5-L395 HydrophobicContact CZ2-CD2 3.57Å; W5-L395 HydrophobicContact CZ2-CG 4.3Å; K391-L395 WeakPolarHBondContact O-CB 3.33Å; K391-L395 PolarHBondContact O-N 2.88Å; Y392-L395 PolarHBondContact O-N 2.99Å; L395-W398 PolarHBondContact O-N 3.11Å; L395-L399 WeakPolarHBondContact O-CB 3.45Å; L395-L399 PolarHBondContact O-N 3.21Å
396F96.3Very high92.5Very high19 Ų1959 Ų598%0.08328%0.281CS..Hα-helixtrans-64.3-44.5176.3-171-122.4000112W5 I8 L9 L128 V132 Y392 M393 K394 W398 L399 L400W5-F396 HydrophobicContact CH2-CB 4.45Å; W5-F396 HydrophobicContact CZ3-CB 3.87Å; W5-F396 HydrophobicContact CZ3-CD2 4.26Å; W5-F396 HydrophobicContact CZ3-CG 4.4Å; I8-F396 HydrophobicContact CG2-CB 4.46Å; I8-F396 HydrophobicContact CG2-CD1 4.02Å; I8-F396 HydrophobicContact CG2-CG 4.31Å; L9-F396 HydrophobicContact CD2-CD2 4.22Å; L9-F396 HydrophobicContact CD2-CE2 3.44Å; L9-F396 VanDerWaalsContact CD2-CE2 3.44Å; L9-F396 HydrophobicContact CD2-CZ 3.63Å; L128-F396 HydrophobicContact CD1-CD1 4.02Å; L128-F396 HydrophobicContact CD2-CD1 4.31Å; V132-F396 HydrophobicContact CG2-CE1 4.47Å; Y392-F396 WeakPolarHBondContact O-CB 3.46Å; Y392-F396 PolarHBondContact O-N 3.14Å; M393-F396 PolarHBondContact O-N 3.09Å; K394-F396 VanDerWaalsContact C-N 3.34Å; K394-F396 PolarHBondContact O-N 3.01Å; F396-W398 PolarHBondContact O-N 3.35Å; F396-L399 HydrophobicContact CD2-CD2 4.42Å; F396-L399 WeakPolarHBondContact O-CB 3.41Å; F396-L399 PolarHBondContact O-N 3.23Å; F396-L400 HydrophobicContact CD1-CD1 4.05Å; F396-L400 HydrophobicContact CE1-CD1 3.69Å; F396-L400 HydrophobicContact CE1-CG 4.22Å; F396-L400 HydrophobicContact CE2-CD2 4.32Å; F396-L400 HydrophobicContact CE2-CG 4.35Å; F396-L400 HydrophobicContact CZ-CD1 4.03Å; F396-L400 HydrophobicContact CZ-CD2 4.04Å; F396-L400 HydrophobicContact CZ-CG 4.12Å; F396-L400 WeakPolarHBondContact O-CG 3.29Å; F396-L400 PolarHBondContact O-N 2.89Å
397L97.4Very high93.6Very high1 Ų158.3 Ų58.31%0.00528%0.278CS..Hα-helixtrans-55.1-51.1174.8176.164.4000111.3L128 I131 A246 L249 M250 M393 K394 L399 L400 V401L128-L397 HydrophobicContact CD2-CB 3.95Å; L128-L397 HydrophobicContact CD2-CD1 4.1Å; I131-L397 HydrophobicContact CB-CD1 4.34Å; I131-L397 HydrophobicContact CG1-CD1 3.86Å; I131-L397 HydrophobicContact CG2-CD1 4Å; A246-L397 HydrophobicContact CB-CD1 4.12Å; A246-L397 HydrophobicContact CB-CD2 4.16Å; A246-L397 HydrophobicContact CB-CG 4.1Å; L249-L397 HydrophobicContact CB-CD2 4.15Å; L249-L397 HydrophobicContact CD1-CD1 4.11Å; L249-L397 HydrophobicContact CD1-CD2 4.19Å; M250-L397 HydrophobicContact CE-CD2 3.35Å; M250-L397 HydrophobicContact SD-CD2 4.29Å; M393-L397 WeakPolarHBondContact O-CB 3.32Å; M393-L397 PolarHBondContact O-N 2.92Å; K394-L397 PolarHBondContact O-N 2.69Å; L397-L399 VanDerWaalsContact C-N 3.32Å; L397-L399 PolarHBondContact O-N 3.3Å; L397-L400 WeakPolarHBondContact O-CB 3.44Å; L397-L400 PolarHBondContact O-N 2.76Å; L397-V401 WeakPolarHBondContact O-CG2 3.44Å; L397-V401 PolarHBondContact O-N 2.89Å
398W97.8Very high94.5Very high103 Ų10349 Ų4939%0.3924%0.243SC..Hα-helixtrans-69.2-29.1-180-72.8113.4000113.2L243 A246 M250 K394 L395 F396 V401 G402L243-W398 HydrophobicContact CD2-CZ3 3.98Å; A246-W398 HydrophobicContact CB-CH2 4.36Å; A246-W398 HydrophobicContact CB-CZ3 4.39Å; M250-W398 HydrophobicContact CG-CZ2 4.17Å; K394-W398 PolarHBondContact O-N 3.28Å; L395-W398 PolarHBondContact O-N 3.11Å; F396-W398 PolarHBondContact O-N 3.35Å; W398-V401 HydrophobicContact CE3-CB 4.12Å; W398-V401 HydrophobicContact CE3-CG1 4.11Å; W398-V401 HydrophobicContact CE3-CG2 4.16Å; W398-V401 HydrophobicContact CZ3-CG1 4.2Å; W398-V401 HydrophobicContact CZ3-CG2 4.46Å; W398-V401 PolarHBondContact O-N 3.23Å; W398-G402 PolarHBondContact O-N 3.07Å
399L98.1Very high95.1Very high102 Ų10246 Ų4653%0.53424%0.241SC..Hα-helixtrans-62.9-46.5169.1179.867.5000111L395 F396 L397 V401 G402 V403L395-L399 WeakPolarHBondContact O-CB 3.45Å; L395-L399 PolarHBondContact O-N 3.21Å; F396-L399 HydrophobicContact CD2-CD2 4.42Å; F396-L399 WeakPolarHBondContact O-CB 3.41Å; F396-L399 PolarHBondContact O-N 3.23Å; L397-L399 VanDerWaalsContact C-N 3.32Å; L397-L399 PolarHBondContact O-N 3.3Å; L399-V401 VanDerWaalsContact C-N 3.32Å; L399-V401 PolarHBondContact O-N 3.28Å; L399-G402 PolarHBondContact O-N 2.84Å; L399-V403 WeakPolarHBondContact O-CG2 3.33Å; L399-V403 PolarHBondContact O-N 3.39Å
400L98.4Very high95.8Very high20 Ų2050.4 Ų50.411%0.10526%0.264CS..Hα-helixtrans-60.2-42.2175.9-69.6175.6000111.5I131 V132 V135 F396 L397 V403 G404I131-L400 HydrophobicContact CB-CD1 4.3Å; I131-L400 HydrophobicContact CG2-CB 4.07Å; I131-L400 HydrophobicContact CG2-CD1 4Å; V132-L400 HydrophobicContact CG2-CD1 3.66Å; V132-L400 HydrophobicContact CG2-CD2 4.06Å; V135-L400 HydrophobicContact CG2-CB 4.25Å; V135-L400 WeakPolarHBondContact CG2-O 3.15Å; F396-L400 HydrophobicContact CD1-CD1 4.05Å; F396-L400 HydrophobicContact CE1-CD1 3.69Å; F396-L400 HydrophobicContact CE1-CG 4.22Å; F396-L400 HydrophobicContact CE2-CD2 4.32Å; F396-L400 HydrophobicContact CE2-CG 4.35Å; F396-L400 HydrophobicContact CZ-CD1 4.03Å; F396-L400 HydrophobicContact CZ-CD2 4.04Å; F396-L400 HydrophobicContact CZ-CG 4.12Å; F396-L400 WeakPolarHBondContact O-CG 3.29Å; F396-L400 PolarHBondContact O-N 2.89Å; L397-L400 WeakPolarHBondContact O-CB 3.44Å; L397-L400 PolarHBondContact O-N 2.76Å; L400-V403 PolarHBondContact O-N 3.03Å; L400-G404 PolarHBondContact O-N 2.88Å
401V98.5Very high96.4Very high3 Ų349.2 Ų49.22%0.01826%0.257CS..Hα-helixtrans-58.7-48.7173.6172.80000110.8L242 L243 A246 L397 W398 L399 V403 G404 L405L242-V401 HydrophobicContact CG-CG2 4.35Å; L243-V401 HydrophobicContact CD2-CG1 3.66Å; L243-V401 HydrophobicContact CG-CG1 4.33Å; A246-V401 HydrophobicContact CB-CG2 3.43Å; A246-V401 VanDerWaalsContact CB-CG2 3.43Å; L397-V401 WeakPolarHBondContact O-CG2 3.44Å; L397-V401 PolarHBondContact O-N 2.89Å; W398-V401 HydrophobicContact CE3-CB 4.12Å; W398-V401 HydrophobicContact CE3-CG1 4.11Å; W398-V401 HydrophobicContact CE3-CG2 4.16Å; W398-V401 HydrophobicContact CZ3-CG1 4.2Å; W398-V401 HydrophobicContact CZ3-CG2 4.46Å; W398-V401 PolarHBondContact O-N 3.23Å; L399-V401 VanDerWaalsContact C-N 3.32Å; L399-V401 PolarHBondContact O-N 3.28Å; V401-V403 VanDerWaalsContact C-N 3.32Å; V401-V403 PolarHBondContact O-N 3.3Å; V401-G404 PolarHBondContact O-N 2.99Å; V401-G404 VanDerWaalsContact O-N 3.16Å; V401-L405 HydrophobicContact CG1-CD1 3.98Å; V401-L405 HydrophobicContact CG1-CG 4.27Å; V401-L405 WeakPolarHBondContact O-CG 3.33Å; V401-L405 PolarHBondContact O-N 3.34Å
402G98.6Very high96.7Very high40 Ų4044.4 Ų44.441%0.41224%0.237SC..Hα-helixtrans-58.7-42.3177.400000112.9W398 L399 L406W398-G402 PolarHBondContact O-N 3.07Å; L399-G402 PolarHBondContact O-N 2.84Å; G402-L406 WeakPolarHBondContact O-CB 3.25Å; G402-L406 PolarHBondContact O-N 2.89Å
403V98.5Very high97Very high57 Ų5747.3 Ų47.335%0.34525%0.251SS..Hα-helixtrans-65-39.4175.51710000111.8V135 W139 L399 L400 V401 G407V135-V403 HydrophobicContact CG1-CB 4.46Å; V135-V403 HydrophobicContact CG1-CG1 4Å; W139-V403 HydrophobicContact CZ2-CG1 4.43Å; W139-V403 PolarHBondContact NE1-O 3.37Å; W139-V403 VanDerWaalsContact NE1-O 3.08Å; L399-V403 WeakPolarHBondContact O-CG2 3.33Å; L399-V403 PolarHBondContact O-N 3.39Å; L400-V403 PolarHBondContact O-N 3.03Å; V401-V403 VanDerWaalsContact C-N 3.32Å; V401-V403 PolarHBondContact O-N 3.3Å; V403-G407 PolarHBondContact O-N 2.65Å; V403-G407 VanDerWaalsContact O-N 3.09Å
404G98.4Very high97.2Very high0 Ų049.4 Ų49.40%027%0.269CS..Hα-helixtrans-66.1-47.3175.800000112.7I138 L400 V401 L406 G407 L408I138-G404 WeakPolarHBondContact CG2-O 3.42Å; L400-G404 PolarHBondContact O-N 2.88Å; V401-G404 PolarHBondContact O-N 2.99Å; V401-G404 VanDerWaalsContact O-N 3.16Å; G404-L406 VanDerWaalsContact C-N 3.3Å; G404-L406 PolarHBondContact O-N 2.95Å; G404-G407 PolarHBondContact O-N 2.86Å; G404-G407 VanDerWaalsContact O-N 3.13Å; G404-L408 PolarHBondContact O-N 3.42Å
405L98.6Very high97.3Very high65 Ų6548.4 Ų48.434%0.3426%0.264SS..Hα-helixtrans-62.3-38177.1-66.6178.1000112.1L243 V401 L408 G409L243-L405 HydrophobicContact CD1-CD1 4.32Å; L243-L405 HydrophobicContact CD1-CD2 4.38Å; L243-L405 HydrophobicContact CD2-CD1 4.17Å; L243-L405 HydrophobicContact CG-CD1 4.31Å; L243-L405 HydrophobicContact CG-CD2 4.48Å; V401-L405 HydrophobicContact CG1-CD1 3.98Å; V401-L405 HydrophobicContact CG1-CG 4.27Å; V401-L405 WeakPolarHBondContact O-CG 3.33Å; V401-L405 PolarHBondContact O-N 3.34Å; L405-L408 PolarHBondContact O-N 3.48Å; L405-G409 PolarHBondContact O-N 3.13Å
406L98.4Very high97.2Very high99 Ų9948.9 Ų48.952%0.51826%0.264SS..Hα-helixtrans-60.5-46172.7178.863.6000111.4W139 G402 G404 L408 G409 L410W139-L406 HydrophobicContact CH2-CG 4.49Å; W139-L406 HydrophobicContact CZ2-CD2 4.47Å; W139-L406 HydrophobicContact CZ2-CG 4.37Å; G402-L406 WeakPolarHBondContact O-CB 3.25Å; G402-L406 PolarHBondContact O-N 2.89Å; G404-L406 VanDerWaalsContact C-N 3.3Å; G404-L406 PolarHBondContact O-N 2.95Å; L406-L408 PolarHBondContact O-N 3.39Å; L406-G409 PolarHBondContact O-N 2.96Å; L406-L410 HydrophobicContact CD1-CD1 3.96Å; L406-L410 HydrophobicContact CD1-CG 4.03Å; L406-L410 HydrophobicContact CG-CD1 3.97Å; L406-L410 HydrophobicContact CG-CG 4.4Å; L406-L410 WeakPolarHBondContact O-CB 3.36Å; L406-L410 VanDerWaalsContact O-CG 3.32Å; L406-L410 WeakPolarHBondContact O-CG 3.33Å; L406-L410 PolarHBondContact O-N 2.93Å
407G97.8Very high97Very high0 Ų056.7 Ų56.70%029%0.292CS..Hα-helixtrans-58-47.3177.400000112.6W139 V403 G404 R411W139-G407 VanDerWaalsContact CZ2-CA 3.5Å; V403-G407 PolarHBondContact O-N 2.65Å; V403-G407 VanDerWaalsContact O-N 3.09Å; G404-G407 PolarHBondContact O-N 2.86Å; G404-G407 VanDerWaalsContact O-N 3.13Å; G407-R411 WeakPolarHBondContact O-CB 3.25Å; G407-R411 VanDerWaalsContact O-CG 3.28Å; G407-R411 WeakPolarHBondContact O-CG 3.48Å; G407-R411 PolarHBondContact O-N 3.1Å
408L97.9Very high96.7Very high3 Ų361.9 Ų61.92%0.01632%0.315CS..Hα-helixtrans-60.6-49.8175.7-70.5168.4000111.7I138 N235 G239 G404 L405 L406 L410 R411 H412I138-L408 HydrophobicContact CD1-CD1 4.19Å; I138-L408 HydrophobicContact CD1-CG 4.35Å; I138-L408 HydrophobicContact CG1-CD2 4.42Å; I138-L408 HydrophobicContact CG1-CG 4.47Å; I138-L408 HydrophobicContact CG2-CD2 3.92Å; I138-L408 HydrophobicContact CG2-CG 3.69Å; N235-L408 HydrophobicContact CB-CD2 4.38Å; N235-L408 PolarHBondContact OD1-O 3.46Å; N235-L408 VanDerWaalsContact OD1-O 3.07Å; G239-L408 VanDerWaalsContact CA-CD1 3.4Å; G404-L408 PolarHBondContact O-N 3.42Å; L405-L408 PolarHBondContact O-N 3.48Å; L406-L408 PolarHBondContact O-N 3.39Å; L408-L410 PolarHBondContact O-N 3.26Å; L408-R411 PolarHBondContact O-N 3.49Å; L408-H412 VanDerWaalsContact O-CB 3.28Å; L408-H412 WeakPolarHBondContact O-CB 3.17Å; L408-H412 PolarHBondContact O-N 3.39Å
409G97.5Very high96.2Very high40 Ų4058.6 Ų58.641%0.41231%0.305SS..Hα-helixtrans-61.1-41.3-179.100000113.4L405 L406 K413L405-G409 PolarHBondContact O-N 3.13Å; L406-G409 PolarHBondContact O-N 2.96Å; G409-K413 WeakPolarHBondContact O-CB 3.45Å; G409-K413 PolarHBondContact O-N 3.37Å
410L97.6Very high94.6Very high93 Ų9356.3 Ų56.349%0.48731%0.306SS..Hα-helixtrans-67.3-44.4176.4-69.4176.4000111.9W139 L406 L408 A414W139-L410 HydrophobicContact CH2-CD1 3.94Å; W139-L410 HydrophobicContact CZ3-CD1 4.43Å; L406-L410 HydrophobicContact CD1-CD1 3.96Å; L406-L410 HydrophobicContact CD1-CG 4.03Å; L406-L410 HydrophobicContact CG-CD1 3.97Å; L406-L410 HydrophobicContact CG-CG 4.4Å; L406-L410 WeakPolarHBondContact O-CB 3.36Å; L406-L410 VanDerWaalsContact O-CG 3.32Å; L406-L410 WeakPolarHBondContact O-CG 3.33Å; L406-L410 PolarHBondContact O-N 2.93Å; L408-L410 PolarHBondContact O-N 3.26Å; L410-A414 WeakPolarHBondContact O-CB 3.44Å; L410-A414 PolarHBondContact O-N 3.07Å
411R97Very high92.8Very high26 Ų2665 Ų6510%0.09834%0.343CS..Hα-helixtrans-64-45.6177.9-77.3174.152.9-143.5-11.6111.8I138 T141 N235 G407 L408 K413 A414 Y415 M481 E485I138-R411 VanDerWaalsContact O-CD 3.25Å; I138-R411 WeakPolarHBondContact O-CD 3.4Å; I138-R411 PolarHBondContact O-NH1 2.83Å; T141-R411 PolarHBondContact OG1-NE 2.7Å; N235-R411 WeakPolarHBondContact ND2-CB 3.34Å; G407-R411 WeakPolarHBondContact O-CB 3.25Å; G407-R411 VanDerWaalsContact O-CG 3.28Å; G407-R411 WeakPolarHBondContact O-CG 3.48Å; G407-R411 PolarHBondContact O-N 3.1Å; L408-R411 PolarHBondContact O-N 3.49Å; R411-K413 PolarHBondContact O-N 3.31Å; R411-A414 WeakPolarHBondContact O-CB 3.35Å; R411-A414 PolarHBondContact O-N 3.22Å; R411-A414 VanDerWaalsContact O-N 3.13Å; R411-Y415 WeakPolarHBondContact O-CB 3.16Å; R411-Y415 PolarHBondContact O-N 3.12Å; R411-M481 PolarHBondContact NH2-SD 3.39Å; R411-E485 IonicContact CZ-OE1 3.33Å; R411-E485 IonicContact CZ-OE2 2.7Å; R411-E485 IonicContact NE-OE1 2.7Å; R411-E485 IonicContact NE-OE2 3.69Å; R411-E485 PolarHBondContact NE-OE2 3.34Å; R411-E485 IonicContact NH2-OE1 3.13Å; R411-E485 PolarHBondContact NH2-OE1 3.47Å; R411-E485 IonicContact NH2-OE2 2.76Å; R411-E485 PolarHBondContact NH2-OE2 2.86Å
412H96Very high91.4Very high49 Ų4967.4 Ų67.423%0.22736%0.358CS..Hα-helixtrans-58.2-49.6178.9-175.565.6000110.9N235 L408 A414 Y415 E416N235-H412 PolarHBondContact ND2-N 2.97Å; N235-H412 PolarHBondContact O-ND1 3.17Å; L408-H412 VanDerWaalsContact O-CB 3.28Å; L408-H412 WeakPolarHBondContact O-CB 3.17Å; L408-H412 PolarHBondContact O-N 3.39Å; H412-A414 VanDerWaalsContact C-N 3.29Å; H412-A414 PolarHBondContact O-N 3.38Å; H412-Y415 PolarHBondContact O-N 3.44Å; H412-Y415 VanDerWaalsContact O-N 3.14Å; H412-E416 IonicContact CE1-OE1 2.7Å; H412-E416 IonicContact NE2-OE1 3.97Å; H412-E416 PolarHBondContact NE2-OE1 2.96Å; H412-E416 WeakPolarHBondContact O-CG 3.38Å; H412-E416 PolarHBondContact O-N 3.19Å
413K95.5Very high90.3Very high113 Ų11369 Ų6949%0.49137%0.367SS..Hα-helixtrans-61.4-35.8176.3-173.4174.2-175.6173.90113.1G409 R411 R417G409-K413 WeakPolarHBondContact O-CB 3.45Å; G409-K413 PolarHBondContact O-N 3.37Å; R411-K413 PolarHBondContact O-N 3.31Å; K413-R417 WeakPolarHBondContact O-CD 3.26Å; K413-R417 VanDerWaalsContact O-CG 3.25Å; K413-R417 WeakPolarHBondContact O-CG 3.35Å; K413-R417 PolarHBondContact O-N 3.5Å
414A95Very high89.4Confident49 Ų4972.3 Ų72.341%0.40539%0.39SS..Hα-helixtrans-69.4-40.3176.100000111.7L410 R411 H412 R417 K418L410-A414 WeakPolarHBondContact O-CB 3.44Å; L410-A414 PolarHBondContact O-N 3.07Å; R411-A414 WeakPolarHBondContact O-CB 3.35Å; R411-A414 PolarHBondContact O-N 3.22Å; R411-A414 VanDerWaalsContact O-N 3.13Å; H412-A414 VanDerWaalsContact C-N 3.29Å; H412-A414 PolarHBondContact O-N 3.38Å; A414-R417 PolarHBondContact O-N 3.25Å; A414-K418 PolarHBondContact O-N 2.96Å
415Y95.1Very high88.6Confident36 Ų3673.5 Ų73.514%0.14140%0.399CS..Hα-helixtrans-67-47.3177.8177.2-132.9000112R411 H412 R417 K418 L419 G484 E485 F489R411-Y415 WeakPolarHBondContact O-CB 3.16Å; R411-Y415 PolarHBondContact O-N 3.12Å; H412-Y415 PolarHBondContact O-N 3.44Å; H412-Y415 VanDerWaalsContact O-N 3.14Å; Y415-R417 PolarHBondContact O-N 3.44Å; Y415-K418 WeakPolarHBondContact O-CA 3.4Å; Y415-K418 WeakPolarHBondContact O-CB 3.31Å; Y415-K418 PolarHBondContact O-N 3.38Å; Y415-L419 HydrophobicContact CD1-CD1 4.12Å; Y415-L419 HydrophobicContact CD2-CD1 4.34Å; Y415-L419 HydrophobicContact CD2-CG 4.15Å; Y415-L419 HydrophobicContact CE1-CD1 3.74Å; Y415-L419 HydrophobicContact CE2-CD1 3.96Å; Y415-L419 HydrophobicContact CE2-CD2 3.81Å; Y415-L419 HydrophobicContact CE2-CG 3.82Å; Y415-L419 HydrophobicContact CG-CD1 4.42Å; Y415-L419 PolarHBondContact O-N 3.45Å; Y415-G484 WeakPolarHBondContact CE2-O 3.46Å; Y415-E485 HydrophobicContact CD1-CG 4.34Å; Y415-E485 HydrophobicContact CD2-CB 4.39Å; Y415-E485 HydrophobicContact CD2-CG 4.07Å; Y415-E485 HydrophobicContact CG-CG 3.94Å; Y415-F489 PolarHBondContact OH-O 3.23Å
416E92.8Very high88Confident109 Ų10975.6 Ų75.651%0.50941%0.406SS..Hα-helixtrans-56.2-35.2174.6-73.6-173136.400112.7H412 K418 L419H412-E416 IonicContact CE1-OE1 2.7Å; H412-E416 IonicContact NE2-OE1 3.97Å; H412-E416 PolarHBondContact NE2-OE1 2.96Å; H412-E416 WeakPolarHBondContact O-CG 3.38Å; H412-E416 PolarHBondContact O-N 3.19Å; E416-K418 VanDerWaalsContact C-N 3.33Å; E416-L419 PolarHBondContact O-N 3.17Å
417R92Very high87.8Confident182 Ų18272.2 Ų72.269%0.68739%0.388SS*.Hα-helixtrans-70.9-27.2175.8-74.7170.2175.1-174.9-6113.6K413 A414 Y415K413-R417 WeakPolarHBondContact O-CD 3.26Å; K413-R417 VanDerWaalsContact O-CG 3.25Å; K413-R417 WeakPolarHBondContact O-CG 3.35Å; K413-R417 PolarHBondContact O-N 3.5Å; A414-R417 PolarHBondContact O-N 3.25Å; Y415-R417 PolarHBondContact O-N 3.44Å
418K91.1Very high87.6Confident110 Ų11072.4 Ų72.448%0.47839%0.388SS..Hα-helixtrans-78.2-37.5175.2-70.3-177.7178-173.80110.9A414 Y415 E416 E485 K486A414-K418 PolarHBondContact O-N 2.96Å; Y415-K418 WeakPolarHBondContact O-CA 3.4Å; Y415-K418 WeakPolarHBondContact O-CB 3.31Å; Y415-K418 PolarHBondContact O-N 3.38Å; E416-K418 VanDerWaalsContact C-N 3.33Å; K418-E485 WeakPolarHBondContact CD-O 3.35Å; K418-E485 PolarHBondContact NZ-O 2.99Å; K418-K486 PolarHBondContact NZ-O 3.18Å
419L88.1Confident87.6Confident35 Ų3572.6 Ų72.618%0.18339%0.39CS..SBendtrans-65.1133.3171.9-63.8174.4000109.6Y415 E416 Y490Y415-L419 HydrophobicContact CD1-CD1 4.12Å; Y415-L419 HydrophobicContact CD2-CD1 4.34Å; Y415-L419 HydrophobicContact CD2-CG 4.15Å; Y415-L419 HydrophobicContact CE1-CD1 3.74Å; Y415-L419 HydrophobicContact CE2-CD1 3.96Å; Y415-L419 HydrophobicContact CE2-CD2 3.81Å; Y415-L419 HydrophobicContact CE2-CG 3.82Å; Y415-L419 HydrophobicContact CG-CD1 4.42Å; Y415-L419 PolarHBondContact O-N 3.45Å; E416-L419 PolarHBondContact O-N 3.17Å; L419-Y490 HydrophobicContact CD1-CE1 4.37Å; L419-Y490 HydrophobicContact CD2-CD1 4.17Å; L419-Y490 HydrophobicContact CD2-CD2 4.21Å; L419-Y490 HydrophobicContact CD2-CE1 4.24Å; L419-Y490 HydrophobicContact CD2-CE2 4.27Å; L419-Y490 HydrophobicContact CD2-CG 4.15Å
420G63.5Low87.6Confident54 Ų5470.7 Ų70.756%0.55737%0.37SS*.  trans101.531.4163.400000119
421K61.3Low87.6Confident201 Ų20166.3 Ų66.387%0.87435%0.348SS*.  trans-128.574.3162.1-69.5-173-178.4-179.40111.5
422V69.9Low87.6Confident55 Ų5565 Ų6533%0.33334%0.343SS..  trans-112.3120.7174.2-156.70000109.1R509 Y510V422-R509 HydrophobicContact CG1-CG 4.08Å; V422-R509 HydrophobicContact CG2-CG 3.7Å; V422-R509 WeakPolarHBondContact CG2-O 3.29Å; V422-Y510 HydrophobicContact CB-CD1 4.31Å; V422-Y510 HydrophobicContact CB-CE1 3.94Å; V422-Y510 HydrophobicContact CG1-CD1 4.03Å; V422-Y510 HydrophobicContact CG1-CE1 3.26Å; V422-Y510 HydrophobicContact CG2-CD1 4.5Å; V422-Y510 HydrophobicContact CG2-CE1 4.5Å
423A74.8Confident87.6Confident74 Ų7462.8 Ų62.861%0.61233%0.332SS*.  trans-62.3149.4172.300000109.4A425A423-A425 PolarHBondContact O-N 3.43Å; A423-A425 VanDerWaalsContact O-N 3.13Å
424P79Confident87.4Confident125 Ų12557.4 Ų57.481%0.81231%0.309SS*.  trans-52.7123.2172.3-24.333.3000110.4S538P424-S538 WeakPolarHBondContact CA-OG 3.2Å
425A81.7Confident86.7Confident25 Ų2555.1 Ų55.121%0.20729%0.29CS..  trans-121.9134.4-177.900000110.2A423 Y510 S538A423-A425 PolarHBondContact O-N 3.43Å; A423-A425 VanDerWaalsContact O-N 3.13Å; A425-Y510 WeakPolarHBondContact CB-OH 3.45Å; A425-S538 PolarHBondContact N-OG 2.9Å; A425-S538 PolarHBondContact O-OG 3.22Å
426K86.7Confident86.3Confident109 Ų10954 Ų5447%0.47429%0.286SS..SBendtrans-96.1-7.6167.6-65.7-165.1175.1-161.50112.4R644 I645 D647K426-R644 WeakPolarHBondContact O-CA 3.33Å; K426-I645 PolarHBondContact O-N 2.95Å; K426-D647 VanDerWaalsContact NZ-CG 3.34Å; K426-D647 IonicContact NZ-OD1 2.96Å; K426-D647 PolarHBondContact NZ-OD1 3.2Å; K426-D647 VanDerWaalsContact NZ-OD1 3.11Å; K426-D647 IonicContact NZ-OD2 2.9Å; K426-D647 PolarHBondContact NZ-OD2 3.22Å
427E93.1Very high86.2Confident29 Ų2949.2 Ų49.214%0.13626%0.263CS..EExtended strand (participates in β ladder)trans-119141.4-177.2-68.8165.6-172.100107.9L623 F643 R644 K668E427-L623 HydrophobicContact CB-CD1 4.43Å; E427-L623 HydrophobicContact CG-CD1 3.73Å; E427-F643 CarbonylContact C-O 3.53Å; E427-F643 WeakPolarHBondContact CA-O 3.47Å; E427-R644 HydrophobicContact CG-CB 4.2Å; E427-R644 HydrophobicContact CG-CG 4.33Å; E427-R644 IonicContact OE1-CZ 3.48Å; E427-R644 IonicContact OE1-NE 2.82Å; E427-R644 PolarHBondContact OE1-NE 3.4Å; E427-R644 IonicContact OE1-NH2 3.3Å; E427-R644 PolarHBondContact OE1-NH2 3.01Å; E427-K668 IonicContact OE1-NZ 2.69Å; E427-K668 PolarHBondContact OE1-NZ 3.46Å; E427-K668 WeakPolarHBondContact OE2-CD 3.2Å; E427-K668 WeakPolarHBondContact OE2-CE 3.12Å; E427-K668 IonicContact OE2-NZ 3.92Å; E427-K668 PolarHBondContact OE2-NZ 3.17Å
428V94.9Very high86Confident3 Ų340.7 Ų40.72%0.01823%0.232CC..EExtended strand (participates in β ladder)trans-130.1137.317857.80000108.4D460 I537 F544 I577 F643 I645V428-D460 HydrophobicContact CG2-CB 4.27Å; V428-I537 HydrophobicContact CB-CD1 3.77Å; V428-I537 HydrophobicContact CG1-CD1 4.18Å; V428-I537 HydrophobicContact CG2-CD1 3.51Å; V428-F544 HydrophobicContact CG2-CZ 4.42Å; V428-I577 HydrophobicContact CG1-CD1 4.08Å; V428-F643 HydrophobicContact CG1-CB 4.04Å; V428-F643 PolarHBondContact N-O 2.81Å; V428-F643 PolarHBondContact O-N 2.84Å; V428-I645 HydrophobicContact CG1-CG1 4.37Å
429S96.9Very high86Confident7 Ų736.6 Ų36.65%0.04921%0.214CC..EExtended strand (participates in β ladder)trans-111.2137.4171.658.80000111A459 D460 F461 A641S429-A459 VanDerWaalsContact OG-CA 3.32Å; S429-A459 WeakPolarHBondContact OG-CA 3.13Å; S429-D460 PolarHBondContact N-OD2 2.88Å; S429-D460 WeakPolarHBondContact O-CB 3.49Å; S429-D460 PolarHBondContact O-N 2.89Å; S429-D460 PolarHBondContact OG-N 3.2Å; S429-D460 PolarHBondContact OG-OD2 3.25Å; S429-F461 PolarHBondContact O-N 3.05Å; S429-A641 CarbonylContact C-O 3.44Å; S429-A641 VanDerWaalsContact CA-O 3.28Å; S429-A641 WeakPolarHBondContact CA-O 3.24Å
430A98.1Very high86Confident0 Ų035.4 Ų35.40%021%0.207CC..EExtended strand (participates in β ladder)trans-127.9136.4-177.400000110.1F461 F544 I577 L579 M640 A641A430-F461 CarbonylContact C-O 3.52Å; A430-F461 VanDerWaalsContact CA-O 3.23Å; A430-F461 WeakPolarHBondContact CA-O 3.27Å; A430-F544 HydrophobicContact CB-CE1 4.21Å; A430-I577 HydrophobicContact CB-CD1 4.48Å; A430-I577 HydrophobicContact CB-CG2 4.19Å; A430-L579 HydrophobicContact CB-CD1 4.27Å; A430-L579 HydrophobicContact CB-CD2 4.18Å; A430-M640 CarbonylContact O-C 3.54Å; A430-M640 VanDerWaalsContact O-CA 3.3Å; A430-M640 WeakPolarHBondContact O-CA 3.3Å; A430-M640 WeakPolarHBondContact O-CG 3.32Å; A430-A641 PolarHBondContact N-O 3.39Å; A430-A641 PolarHBondContact O-N 3.05Å
431A97.7Very high87.1Confident1 Ų134.9 Ų34.91%0.00819%0.192CC..EExtended strand (participates in β ladder)trans-129.2147.2177.200000111.4A459 F461 I462 T463 I638 Q639 M640A431-A459 HydrophobicContact CB-CB 3.82Å; A431-F461 PolarHBondContact N-O 3.09Å; A431-I462 HydrophobicContact CB-CG1 4.45Å; A431-I462 WeakPolarHBondContact O-CA 3.47Å; A431-T463 PolarHBondContact O-N 2.76Å; A431-I638 HydrophobicContact CB-CG2 4.23Å; A431-Q639 CarbonylContact C-O 3.26Å; A431-Q639 VanDerWaalsContact CA-O 3.24Å; A431-Q639 WeakPolarHBondContact CA-O 3.44Å; A431-M640 HydrophobicContact CB-CB 4.32Å; A431-M640 HydrophobicContact CB-CG 4.24Å
432I97.2Very high88.4Confident0 Ų030.1 Ų30.10%017%0.172CC..EExtended strand (participates in β ladder)trans-123.8140.8173.7177.5161000109T463 L465 L579 I615 Q639I432-T463 WeakPolarHBondContact CA-O 3.27Å; I432-T463 HydrophobicContact CB-CG2 3.79Å; I432-T463 HydrophobicContact CD1-CG2 4.2Å; I432-T463 HydrophobicContact CG1-CG2 3.84Å; I432-L465 HydrophobicContact CD1-CD1 3.94Å; I432-L465 HydrophobicContact CG1-CD1 4.32Å; I432-L579 HydrophobicContact CB-CB 4.27Å; I432-L579 HydrophobicContact CB-CD2 4.14Å; I432-L579 VanDerWaalsContact CD1-C 3.49Å; I432-L579 HydrophobicContact CD1-CB 4.08Å; I432-L579 HydrophobicContact CG2-CD2 4.27Å; I432-I615 HydrophobicContact CG2-CD1 4.44Å; I432-I615 HydrophobicContact CG2-CG1 4.26Å; I432-Q639 HydrophobicContact CG2-CB 3.86Å; I432-Q639 PolarHBondContact N-O 3.01Å; I432-Q639 PolarHBondContact O-N 3.48Å
433W94.9Very high89.2Confident1 Ų127.5 Ų27.50%0.00416%0.157CC..EExtended strand (participates in β ladder)trans-154.4121.4175.9-169.228.5000113.6F435 S450 L453 L454 T463 I464 L465 L633 S636 E637 I638W433-F435 HydrophobicContact CD2-CD2 4.27Å; W433-F435 AromaticContact CE3-CD2 3.92Å; W433-F435 HydrophobicContact CE3-CD2 3.92Å; W433-F435 HydrophobicContact CE3-CE2 4.44Å; W433-F435 HydrophobicContact CE3-CG 4.37Å; W433-F435 AromaticContact CH2-CD2 3.7Å; W433-F435 HydrophobicContact CH2-CD2 3.7Å; W433-F435 AromaticContact CH2-CE2 3.67Å; W433-F435 HydrophobicContact CH2-CE2 3.67Å; W433-F435 HydrophobicContact CZ2-CD2 4.04Å; W433-F435 HydrophobicContact CZ2-CE2 4.36Å; W433-F435 AromaticContact CZ3-CD2 3.64Å; W433-F435 HydrophobicContact CZ3-CD2 3.64Å; W433-F435 AromaticContact CZ3-CE2 3.73Å; W433-F435 HydrophobicContact CZ3-CE2 3.73Å; W433-F435 HydrophobicContact CZ3-CG 4.43Å; W433-F435 HydrophobicContact CZ3-CZ 4.46Å; W433-S450 WeakPolarHBondContact CH2-OG 3.03Å; W433-L453 HydrophobicContact CH2-CD2 4.13Å; W433-L453 HydrophobicContact CZ2-CD2 4.42Å; W433-L454 HydrophobicContact CE3-CD2 4.01Å; W433-L454 HydrophobicContact CE3-CG 4.35Å; W433-L454 HydrophobicContact CZ3-CD1 4.45Å; W433-L454 HydrophobicContact CZ3-CD2 4.38Å; W433-L454 HydrophobicContact CZ3-CG 4.27Å; W433-T463 PolarHBondContact N-O 3.13Å; W433-I464 VanDerWaalsContact O-CA 3.23Å; W433-I464 WeakPolarHBondContact O-CA 3.21Å; W433-L465 PolarHBondContact O-N 2.92Å; W433-L633 HydrophobicContact CH2-CB 4.15Å; W433-L633 HydrophobicContact CH2-CD1 4.41Å; W433-L633 HydrophobicContact CZ2-CB 4.03Å; W433-S636 PolarHBondContact NE1-O 3.41Å; W433-E637 VanDerWaalsContact CD1-O 3.25Å; W433-I638 HydrophobicContact CB-CG1 4Å; W433-I638 HydrophobicContact CD2-CD1 3.93Å; W433-I638 HydrophobicContact CD2-CG1 3.73Å; W433-I638 HydrophobicContact CE3-CD1 4.06Å; W433-I638 HydrophobicContact CE3-CG1 4.36Å; W433-I638 HydrophobicContact CG-CD1 4.22Å; W433-I638 HydrophobicContact CG-CG1 3.55Å; W433-I638 HydrophobicContact CZ3-CD1 4.45Å
434P91.6Very high89.9Confident1 Ų126.3 Ų26.31%0.00614%0.137CC..EExtended strand (participates in β ladder)trans-71.5121.8164.9-19.632.1000110.6Y581 E613 S634P434-Y581 HydrophobicContact CB-CD2 4.42Å; P434-Y581 HydrophobicContact CB-CE2 4.31Å; P434-Y581 HydrophobicContact CG-CD2 3.46Å; P434-Y581 VanDerWaalsContact CG-CD2 3.46Å; P434-Y581 HydrophobicContact CG-CE2 3.62Å; P434-E613 WeakPolarHBondContact CD-OE1 3.12Å; P434-E613 HydrophobicContact CG-CG 4.3Å; P434-S634 PolarHBondContact O-OG 3.45Å
435F80.1Confident90.4Very high0 Ų022.6 Ų22.60%011%0.114CC..  trans-116.37.8-163.7-166.8-143.5000114.9W433 F437 G438 S446 L447 S450 I464 L465 L483W433-F435 HydrophobicContact CD2-CD2 4.27Å; W433-F435 AromaticContact CE3-CD2 3.92Å; W433-F435 HydrophobicContact CE3-CD2 3.92Å; W433-F435 HydrophobicContact CE3-CE2 4.44Å; W433-F435 HydrophobicContact CE3-CG 4.37Å; W433-F435 AromaticContact CH2-CD2 3.7Å; W433-F435 HydrophobicContact CH2-CD2 3.7Å; W433-F435 AromaticContact CH2-CE2 3.67Å; W433-F435 HydrophobicContact CH2-CE2 3.67Å; W433-F435 HydrophobicContact CZ2-CD2 4.04Å; W433-F435 HydrophobicContact CZ2-CE2 4.36Å; W433-F435 AromaticContact CZ3-CD2 3.64Å; W433-F435 HydrophobicContact CZ3-CD2 3.64Å; W433-F435 AromaticContact CZ3-CE2 3.73Å; W433-F435 HydrophobicContact CZ3-CE2 3.73Å; W433-F435 HydrophobicContact CZ3-CG 4.43Å; W433-F435 HydrophobicContact CZ3-CZ 4.46Å; F435-F437 PolarHBondContact O-N 3.39Å; F435-G438 PolarHBondContact O-N 3.07Å; F435-S446 VanDerWaalsContact CE2-OG 3.3Å; F435-S446 WeakPolarHBondContact CE2-OG 3.46Å; F435-L447 HydrophobicContact CE1-CD2 3.59Å; F435-L447 HydrophobicContact CZ-CD2 3.85Å; F435-S450 VanDerWaalsContact CE2-CB 3.44Å; F435-S450 WeakPolarHBondContact CE2-OG 3.42Å; F435-S450 WeakPolarHBondContact CZ-OG 3.35Å; F435-I464 HydrophobicContact CB-CB 4.48Å; F435-I464 HydrophobicContact CB-CG2 3.21Å; F435-I464 HydrophobicContact CD1-CD1 4.24Å; F435-I464 HydrophobicContact CD1-CG2 3.78Å; F435-I464 HydrophobicContact CG-CG2 3.88Å; F435-L465 PolarHBondContact N-O 3.26Å; F435-L483 HydrophobicContact CD1-CD1 4.47Å; F435-L483 HydrophobicContact CE1-CD1 4.05Å
436R86.1Confident90.8Very high14 Ų1421.4 Ų21.45%0.05310%0.104CC..G310 helixtrans44.945.8170.3-157.3172.3-179.9-119.4-21.6113.6Y31 L34 G438 Y439 E466Y31-R436 PolarHBondContact O-NH2 3.07Å; L34-R436 VanDerWaalsContact C-NH2 3.31Å; L34-R436 PolarHBondContact O-NH2 3.39Å; R436-G438 PolarHBondContact O-N 3Å; R436-G438 VanDerWaalsContact O-N 3.09Å; R436-Y439 PolarHBondContact O-N 3.18Å; R436-E466 WeakPolarHBondContact CA-OE2 3.22Å
437F90.7Very high91Very high8 Ų816.4 Ų16.44%0.0358%0.083CC..G310 helixtrans56.823.4-179.7-42.7-75.2000115.2L34 F435 E466 A469 M474 L479 W502L34-F437 HydrophobicContact CD1-CD2 3.81Å; L34-F437 HydrophobicContact CD1-CE2 4.04Å; L34-F437 HydrophobicContact CD2-CD2 4.45Å; L34-F437 HydrophobicContact CD2-CE2 3.82Å; F435-F437 PolarHBondContact O-N 3.39Å; F437-E466 WeakPolarHBondContact CA-O 3.47Å; F437-E466 HydrophobicContact CD1-CB 4.48Å; F437-E466 WeakPolarHBondContact CD1-O 3.45Å; F437-E466 HydrophobicContact CE1-CB 4Å; F437-E466 HydrophobicContact CE2-CB 4.33Å; F437-E466 HydrophobicContact CZ-CB 3.91Å; F437-E466 HydrophobicContact CZ-CG 4.39Å; F437-E466 PolarHBondContact N-O 3.4Å; F437-A469 HydrophobicContact CB-CB 4.38Å; F437-M474 HydrophobicContact CB-SD 4.27Å; F437-M474 HydrophobicContact CD1-CE 4.35Å; F437-M474 HydrophobicContact CD1-SD 3.5Å; F437-M474 WeakPolarHBondContact CD1-SD 3.44Å; F437-M474 HydrophobicContact CD2-SD 4.06Å; F437-M474 HydrophobicContact CE1-CE 4.36Å; F437-M474 HydrophobicContact CE1-SD 3.81Å; F437-M474 HydrophobicContact CE2-SD 4.34Å; F437-M474 HydrophobicContact CG-SD 3.64Å; F437-M474 HydrophobicContact CZ-SD 4.23Å; F437-L479 WeakPolarHBondContact O-CD1 3.34Å; F437-W502 HydrophobicContact CE1-CB 3.91Å; F437-W502 HydrophobicContact CE1-CD2 4.18Å; F437-W502 AromaticContact CE1-CE3 3.59Å; F437-W502 HydrophobicContact CE1-CE3 3.59Å; F437-W502 HydrophobicContact CE1-CG 4.31Å; F437-W502 HydrophobicContact CE1-CZ3 4.49Å; F437-W502 HydrophobicContact CE2-CE3 4.29Å; F437-W502 HydrophobicContact CZ-CB 3.9Å; F437-W502 AromaticContact CZ-CD2 3.65Å; F437-W502 HydrophobicContact CZ-CD2 3.65Å; F437-W502 AromaticContact CZ-CE3 3.28Å; F437-W502 HydrophobicContact CZ-CE3 3.28Å; F437-W502 AromaticContact CZ-CG 3.88Å; F437-W502 HydrophobicContact CZ-CG 3.88Å; F437-W502 HydrophobicContact CZ-CZ3 4.07Å
438G89.7Confident91Very high3 Ų318.7 Ų18.73%0.0319%0.093CC..G310 helixtrans80.521.6178.100000114.7F435 R436 S445 S446F435-G438 PolarHBondContact O-N 3.07Å; R436-G438 PolarHBondContact O-N 3Å; R436-G438 VanDerWaalsContact O-N 3.09Å; G438-S445 CarbonylContact O-C 3.52Å; G438-S445 WeakPolarHBondContact O-CA 3.4Å; G438-S446 VanDerWaalsContact C-OG 3.31Å; G438-S446 PolarHBondContact O-N 3.04Å; G438-S446 PolarHBondContact O-OG 3.47Å
439Y89.3Confident90.8Very high24 Ų2423.6 Ų23.69%0.09411%0.111CC..BIsolated β-bridgetrans-100.3144.3170.6-73.2-77.3000111.9P27 Y31 R436 W444P27-Y439 WeakPolarHBondContact CB-OH 3.32Å; Y31-Y439 HydrophobicContact CD2-CD1 4.41Å; Y31-Y439 HydrophobicContact CD2-CG 4.23Å; R436-Y439 PolarHBondContact O-N 3.18Å; Y439-W444 CarbonylContact C-O 3.46Å; Y439-W444 VanDerWaalsContact CA-O 3.31Å; Y439-W444 WeakPolarHBondContact CA-O 3.33Å
440D89.2Confident90.6Very high9 Ų923.2 Ų23.25%0.04811%0.109CC..  trans-8217716670.37.8000112Y31 E442 G443 W444 R449 E632Y31-D440 PolarHBondContact OH-O 3.42Å; D440-E442 PolarHBondContact O-N 3.46Å; D440-E442 VanDerWaalsContact OD1-C 3.31Å; D440-E442 WeakPolarHBondContact OD1-CA 3.4Å; D440-E442 PolarHBondContact OD1-N 3.22Å; D440-G443 PolarHBondContact O-N 3.18Å; D440-G443 PolarHBondContact OD1-N 3.3Å; D440-W444 PolarHBondContact N-O 2.95Å; D440-W444 PolarHBondContact OD1-N 3.38Å; D440-R449 IonicContact OD2-CZ 2.73Å; D440-R449 IonicContact OD2-NH2 2.64Å; D440-R449 PolarHBondContact OD2-NH2 3.1Å; D440-E632 WeakPolarHBondContact CB-O 3.41Å
441N86.9Confident90.5Very high43 Ų4323.4 Ų23.423%0.2311%0.11CC..THydrogen-bonded Turntrans-65.8-5.5179-68.1-11.9000114.2Y31 E632 S634Y31-N441 PolarHBondContact OH-O 3.39Å; N441-E632 PolarHBondContact N-O 3.43Å; N441-E632 VanDerWaalsContact N-O 3.11Å; N441-S634 PolarHBondContact ND2-O 2.86Å; N441-S634 PolarHBondContact OD1-O 3Å
442E88.1Confident90.3Very high101 Ų10128.8 Ų28.847%0.47214%0.135SC..THydrogen-bonded Turntrans-112.9-1.9-179.6-64.8-6013900113.8Y31 D440Y31-E442 VanDerWaalsContact OH-C 3.28Å; Y31-E442 PolarHBondContact OH-N 2.78Å; D440-E442 PolarHBondContact O-N 3.46Å; D440-E442 VanDerWaalsContact OD1-C 3.31Å; D440-E442 WeakPolarHBondContact OD1-CA 3.4Å; D440-E442 PolarHBondContact OD1-N 3.22Å
443G87.3Confident90.1Very high1 Ų128.9 Ų28.91%0.0114%0.135CC..SBendtrans90.120.6174.800000114.4Y31 R92 D440Y31-G443 PolarHBondContact OH-N 3.26Å; R92-G443 PolarHBondContact NH1-O 3.01Å; D440-G443 PolarHBondContact O-N 3.18Å; D440-G443 PolarHBondContact OD1-N 3.3Å
444W89.8Confident90.1Very high48 Ų4829 Ų2918%0.18214%0.136CC..SBendtrans-104.7157.3173.7-57.6112.2000111.7S83 F84 A86 R92 Y439 D440 S446S83-W444 WeakPolarHBondContact O-CH2 3.47Å; F84-W444 HydrophobicContact CD2-CE3 4.28Å; F84-W444 AromaticContact CD2-CZ3 3.89Å; F84-W444 HydrophobicContact CD2-CZ3 3.89Å; F84-W444 HydrophobicContact CE2-CE3 4.26Å; F84-W444 HydrophobicContact CE2-CZ3 4.33Å; F84-W444 WeakPolarHBondContact O-CH2 3.34Å; A86-W444 HydrophobicContact CB-CH2 4.4Å; A86-W444 WeakPolarHBondContact O-CZ2 3.19Å; R92-W444 HydrophobicContact CB-CH2 4.23Å; R92-W444 HydrophobicContact CG-CH2 4.27Å; R92-W444 VanDerWaalsContact CZ-CZ3 3.43Å; Y439-W444 CarbonylContact C-O 3.46Å; Y439-W444 VanDerWaalsContact CA-O 3.31Å; Y439-W444 WeakPolarHBondContact CA-O 3.33Å; D440-W444 PolarHBondContact N-O 2.95Å; D440-W444 PolarHBondContact OD1-N 3.38Å; W444-S446 PolarHBondContact O-N 2.65Å
445S88.4Confident90.2Very high47 Ų4734 Ų3433%0.32916%0.163SC..BIsolated β-bridgetrans-61.7125173.2-1730000110.5G438G438-S445 CarbonylContact O-C 3.52Å; G438-S445 WeakPolarHBondContact O-CA 3.4Å
446S89.4Confident90.9Very high1 Ų135.8 Ų35.81%0.00717%0.171CC..  trans-94.4-7.6177.859.90000113.4F435 G438 W444 E448 R449 S450F435-S446 VanDerWaalsContact CE2-OG 3.3Å; F435-S446 WeakPolarHBondContact CE2-OG 3.46Å; G438-S446 VanDerWaalsContact C-OG 3.31Å; G438-S446 PolarHBondContact O-N 3.04Å; G438-S446 PolarHBondContact O-OG 3.47Å; W444-S446 PolarHBondContact O-N 2.65Å; S446-E448 PolarHBondContact O-N 3.27Å; S446-E448 VanDerWaalsContact O-N 3.16Å; S446-R449 PolarHBondContact O-N 3.38Å; S446-S450 WeakPolarHBondContact O-CB 3.31Å; S446-S450 PolarHBondContact O-N 3.18Å; S446-S450 PolarHBondContact O-OG 2.84Å
447L91.5Very high91.3Very high4 Ų435.4 Ų35.42%0.02117%0.17CC..Hα-helixtrans-49.6-47.4-166.8-68.8170.4000116.1L143 F435 S450 A451 L479 W482L143-L447 HydrophobicContact CD1-CD1 3.78Å; L143-L447 HydrophobicContact CD2-CD1 3.72Å; L143-L447 HydrophobicContact CG-CD1 4.33Å; F435-L447 HydrophobicContact CE1-CD2 3.59Å; F435-L447 HydrophobicContact CZ-CD2 3.85Å; L447-S450 PolarHBondContact O-N 2.81Å; L447-A451 WeakPolarHBondContact O-CB 3.36Å; L447-A451 PolarHBondContact O-N 3.13Å; L447-L479 HydrophobicContact CD1-CD2 3.77Å; L447-L479 HydrophobicContact CD2-CD2 3.83Å; L447-L479 HydrophobicContact CG-CD2 4.35Å; L447-W482 HydrophobicContact CB-CD2 4.4Å; L447-W482 HydrophobicContact CB-CE3 4.06Å; L447-W482 HydrophobicContact CB-CH2 3.98Å; L447-W482 HydrophobicContact CB-CZ2 4.29Å; L447-W482 HydrophobicContact CB-CZ3 3.82Å; L447-W482 HydrophobicContact CD1-CD2 4.44Å; L447-W482 HydrophobicContact CD2-CE3 4.33Å; L447-W482 WeakPolarHBondContact O-CZ3 3.4Å
448E92.4Very high91.4Very high76 Ų7636.8 Ų36.836%0.35519%0.187SC..Hα-helixtrans-66.6-42.3179.8-71.3-75.2-171.200112.4Y149 S446 S450 H452 W482 K486Y149-E448 HydrophobicContact CE1-CG 4.43Å; Y149-E448 PolarHBondContact OH-OE1 3.15Å; Y149-E448 VanDerWaalsContact OH-OE1 3.12Å; S446-E448 PolarHBondContact O-N 3.27Å; S446-E448 VanDerWaalsContact O-N 3.16Å; E448-S450 VanDerWaalsContact C-N 3.33Å; E448-H452 PolarHBondContact O-N 3.42Å; E448-H452 VanDerWaalsContact O-N 3.13Å; E448-W482 VanDerWaalsContact CD-CZ2 3.47Å; E448-W482 HydrophobicContact CG-CH2 4.03Å; E448-W482 HydrophobicContact CG-CZ2 3.94Å; E448-W482 WeakPolarHBondContact OE1-CZ2 3.44Å; E448-K486 IonicContact OE1-NZ 3.04Å; E448-K486 PolarHBondContact OE1-NZ 2.91Å; E448-K486 WeakPolarHBondContact OE2-CE 3.42Å; E448-K486 IonicContact OE2-NZ 2.97Å; E448-K486 PolarHBondContact OE2-NZ 3.44Å
449R91.9Very high91.7Very high106 Ų10636.7 Ų36.740%0.419%0.186SC..Hα-helixtrans-67.1-38.8175.9-69.6-173.8-69.3176-4110.7D440 S446 H452 L453 L633D440-R449 IonicContact OD2-CZ 2.73Å; D440-R449 IonicContact OD2-NH2 2.64Å; D440-R449 PolarHBondContact OD2-NH2 3.1Å; S446-R449 PolarHBondContact O-N 3.38Å; R449-H452 WeakPolarHBondContact O-CB 3.38Å; R449-H452 PolarHBondContact O-N 3.29Å; R449-L453 PolarHBondContact O-N 3.45Å; R449-L633 HydrophobicContact CB-CD1 3.98Å; R449-L633 HydrophobicContact CB-CD2 3.56Å; R449-L633 HydrophobicContact CB-CG 4.46Å; R449-L633 HydrophobicContact CG-CD2 4.28Å; R449-L633 VanDerWaalsContact CZ-CD2 3.5Å
450S93Very high92Very high0 Ų036.7 Ų36.70%019%0.187CC..Hα-helixtrans-64.9-44176.6-59.60000112.8W433 F435 S446 L447 E448 H452 L453 L454W433-S450 WeakPolarHBondContact CH2-OG 3.03Å; F435-S450 VanDerWaalsContact CE2-CB 3.44Å; F435-S450 WeakPolarHBondContact CE2-OG 3.42Å; F435-S450 WeakPolarHBondContact CZ-OG 3.35Å; S446-S450 WeakPolarHBondContact O-CB 3.31Å; S446-S450 PolarHBondContact O-N 3.18Å; S446-S450 PolarHBondContact O-OG 2.84Å; L447-S450 PolarHBondContact O-N 2.81Å; E448-S450 VanDerWaalsContact C-N 3.33Å; S450-H452 VanDerWaalsContact C-N 3.28Å; S450-H452 PolarHBondContact O-N 2.88Å; S450-L453 PolarHBondContact O-N 3.14Å; S450-L454 WeakPolarHBondContact O-CB 3.07Å; S450-L454 WeakPolarHBondContact O-CG 3.39Å; S450-L454 PolarHBondContact O-N 3.31Å
451A94.6Very high92.4Very high3 Ų336.3 Ų36.33%0.02519%0.185CC..Hα-helixtrans-62-37.3173.400000112.2L447 N455 W482 L483 K486 L487L447-A451 WeakPolarHBondContact O-CB 3.36Å; L447-A451 PolarHBondContact O-N 3.13Å; A451-N455 VanDerWaalsContact O-CB 3.28Å; A451-N455 WeakPolarHBondContact O-CB 3.34Å; A451-N455 PolarHBondContact O-N 3.34Å; A451-W482 HydrophobicContact CB-CH2 4.1Å; A451-W482 HydrophobicContact CB-CZ3 3.8Å; A451-L483 HydrophobicContact CB-CD2 4.09Å; A451-K486 HydrophobicContact CB-CG 3.77Å; A451-L487 HydrophobicContact CB-CD2 4.22Å; A451-L487 WeakPolarHBondContact O-CD2 3.29Å
452H94.3Very high92.9Very high115 Ų11534.3 Ų34.353%0.53218%0.175SC..Hα-helixtrans-62-51.5174.2-173-86000111.3E448 R449 S450 L454 N455 E456E448-H452 PolarHBondContact O-N 3.42Å; E448-H452 VanDerWaalsContact O-N 3.13Å; R449-H452 WeakPolarHBondContact O-CB 3.38Å; R449-H452 PolarHBondContact O-N 3.29Å; S450-H452 VanDerWaalsContact C-N 3.28Å; S450-H452 PolarHBondContact O-N 2.88Å; H452-L454 PolarHBondContact O-N 3Å; H452-N455 PolarHBondContact O-N 2.93Å; H452-E456 IonicContact CE1-OE1 3.38Å; H452-E456 PolarHBondContact CE1-OE1 2.97Å; H452-E456 IonicContact CE1-OE2 3.16Å; H452-E456 PolarHBondContact CE1-OE2 3.46Å; H452-E456 VanDerWaalsContact ND1-CD 3.29Å; H452-E456 IonicContact ND1-OE1 3.01Å; H452-E456 IonicContact ND1-OE2 3.66Å; H452-E456 PolarHBondContact ND1-OE2 3.27Å; H452-E456 VanDerWaalsContact ND1-OE2 3.09Å; H452-E456 WeakPolarHBondContact O-CG 3.38Å; H452-E456 PolarHBondContact O-N 3.02Å
453L93.6Very high93.4Very high1 Ų129.5 Ų29.51%0.00515%0.152CC..Hα-helixtrans-57.5-49.4177.7175.359.9000111.9W433 R449 S450 N455 E456 T457 I628 L633 I638 F675 H688W433-L453 HydrophobicContact CH2-CD2 4.13Å; W433-L453 HydrophobicContact CZ2-CD2 4.42Å; R449-L453 PolarHBondContact O-N 3.45Å; S450-L453 PolarHBondContact O-N 3.14Å; L453-N455 VanDerWaalsContact C-N 3.28Å; L453-N455 PolarHBondContact O-N 2.95Å; L453-E456 CarbonylContact O-C 3.49Å; L453-E456 WeakPolarHBondContact O-CA 3.42Å; L453-E456 WeakPolarHBondContact O-CB 3.15Å; L453-E456 PolarHBondContact O-N 3.2Å; L453-T457 VanDerWaalsContact O-CG2 3.31Å; L453-T457 WeakPolarHBondContact O-CG2 3.35Å; L453-T457 PolarHBondContact O-N 3.01Å; L453-I628 HydrophobicContact CD1-CG2 4.33Å; L453-L633 HydrophobicContact CB-CD1 4.43Å; L453-L633 HydrophobicContact CD2-CD1 3.99Å; L453-I638 HydrophobicContact CD2-CD1 3.43Å; L453-I638 VanDerWaalsContact CD2-CD1 3.43Å; L453-I638 HydrophobicContact CG-CD1 3.77Å; L453-F675 HydrophobicContact CD1-CE1 3.69Å; L453-F675 HydrophobicContact CD1-CZ 4.04Å; L453-H688 HydrophobicContact CD1-CB 4.1Å; L453-H688 VanDerWaalsContact CD2-CE1 3.43Å; L453-H688 WeakPolarHBondContact CD2-CE1 3.27Å
454L94.7Very high93.8Very high3 Ų329.5 Ų29.52%0.01615%0.152CC..Hα-helixtrans-59.3-40.1178.6-70.9174.3000111.6W433 S450 H452 T457 I462 I464 L483 L487 I638W433-L454 HydrophobicContact CE3-CD2 4.01Å; W433-L454 HydrophobicContact CE3-CG 4.35Å; W433-L454 HydrophobicContact CZ3-CD1 4.45Å; W433-L454 HydrophobicContact CZ3-CD2 4.38Å; W433-L454 HydrophobicContact CZ3-CG 4.27Å; S450-L454 WeakPolarHBondContact O-CB 3.07Å; S450-L454 WeakPolarHBondContact O-CG 3.39Å; S450-L454 PolarHBondContact O-N 3.31Å; H452-L454 PolarHBondContact O-N 3Å; L454-T457 PolarHBondContact O-N 3.48Å; L454-T457 PolarHBondContact O-OG1 3.25Å; L454-I462 HydrophobicContact CB-CD1 4.23Å; L454-I462 HydrophobicContact CD2-CD1 4.32Å; L454-I462 HydrophobicContact CD2-CG2 3.84Å; L454-I464 HydrophobicContact CD1-CD1 3.85Å; L454-L483 HydrophobicContact CD1-CD2 4.25Å; L454-L487 HydrophobicContact CB-CD1 4.19Å; L454-L487 HydrophobicContact CD1-CD1 4.29Å; L454-I638 HydrophobicContact CD2-CD1 4.36Å
455N94.4Very high94.1Very high107 Ų10727.2 Ų27.257%0.57214%0.143SC*.Hα-helixtrans-66.9-37.1174.3-170.661.5000112.2A451 H452 L453 T457 G458 L487A451-N455 VanDerWaalsContact O-CB 3.28Å; A451-N455 WeakPolarHBondContact O-CB 3.34Å; A451-N455 PolarHBondContact O-N 3.34Å; H452-N455 PolarHBondContact O-N 2.93Å; L453-N455 VanDerWaalsContact C-N 3.28Å; L453-N455 PolarHBondContact O-N 2.95Å; N455-T457 VanDerWaalsContact C-N 3.35Å; N455-G458 PolarHBondContact O-N 2.88Å; N455-L487 HydrophobicContact CB-CD2 4.06Å
456E94.4Very high94.3Very high38 Ų3826.6 Ų26.618%0.17814%0.135CC..Hα-helixtrans-66.5-32.1174.3-72.8179.7131.500112.8H452 L453 G458 N672 R674 F675H452-E456 IonicContact CE1-OE1 3.38Å; H452-E456 PolarHBondContact CE1-OE1 2.97Å; H452-E456 IonicContact CE1-OE2 3.16Å; H452-E456 PolarHBondContact CE1-OE2 3.46Å; H452-E456 VanDerWaalsContact ND1-CD 3.29Å; H452-E456 IonicContact ND1-OE1 3.01Å; H452-E456 IonicContact ND1-OE2 3.66Å; H452-E456 PolarHBondContact ND1-OE2 3.27Å; H452-E456 VanDerWaalsContact ND1-OE2 3.09Å; H452-E456 WeakPolarHBondContact O-CG 3.38Å; H452-E456 PolarHBondContact O-N 3.02Å; L453-E456 CarbonylContact O-C 3.49Å; L453-E456 WeakPolarHBondContact O-CA 3.42Å; L453-E456 WeakPolarHBondContact O-CB 3.15Å; L453-E456 PolarHBondContact O-N 3.2Å; E456-G458 PolarHBondContact O-N 3.02Å; E456-N672 VanDerWaalsContact O-CB 3.31Å; E456-N672 WeakPolarHBondContact O-CB 3.46Å; E456-N672 PolarHBondContact O-ND2 2.96Å; E456-R674 IonicContact OE1-NE 2.84Å; E456-F675 HydrophobicContact CB-CZ 3.9Å
457T94.3Very high94.5Very high6 Ų626.6 Ų26.64%0.03714%0.135CC..Hα-helixtrans-58.8-33.717473.20000111.8L453 L454 N455 A459 I628 I638 M640 F675L453-T457 VanDerWaalsContact O-CG2 3.31Å; L453-T457 WeakPolarHBondContact O-CG2 3.35Å; L453-T457 PolarHBondContact O-N 3.01Å; L454-T457 PolarHBondContact O-N 3.48Å; L454-T457 PolarHBondContact O-OG1 3.25Å; N455-T457 VanDerWaalsContact C-N 3.35Å; T457-A459 PolarHBondContact O-N 3.44Å; T457-A459 WeakPolarHBondContact OG1-CB 3.36Å; T457-A459 PolarHBondContact OG1-N 3.09Å; T457-I628 HydrophobicContact CG2-CD1 3.87Å; T457-I638 HydrophobicContact CG2-CD1 4.43Å; T457-M640 WeakPolarHBondContact O-CE 3.29Å; T457-F675 HydrophobicContact CG2-CZ 4.42Å
458G93Very high94.7Very high37 Ų3726.4 Ų26.438%0.38113%0.134SC..THydrogen-bonded Turntrans69.715.5-174.200000113.9N455 E456N455-G458 PolarHBondContact O-N 2.88Å; E456-G458 PolarHBondContact O-N 3.02Å
459A95.4Very high94.8Very high1 Ų122.8 Ų22.81%0.00812%0.117CC..  trans-60145.5179.500000112.6S429 A431 T457 I462 R509 M640S429-A459 VanDerWaalsContact OG-CA 3.32Å; S429-A459 WeakPolarHBondContact OG-CA 3.13Å; A431-A459 HydrophobicContact CB-CB 3.82Å; T457-A459 PolarHBondContact O-N 3.44Å; T457-A459 WeakPolarHBondContact OG1-CB 3.36Å; T457-A459 PolarHBondContact OG1-N 3.09Å; A459-I462 HydrophobicContact CB-CD1 4.17Å; A459-I462 HydrophobicContact CB-CG1 3.61Å; A459-R509 PolarHBondContact O-NH2 3.28Å; A459-M640 HydrophobicContact CB-CE 3.84Å
460D95.7Very high95Very high24 Ų2417.8 Ų17.813%0.12810%0.098CC..SBendtrans-93.2-33.3177.9-61.4-59.5000112.5V428 S429 R509 Y510V428-D460 HydrophobicContact CG2-CB 4.27Å; S429-D460 PolarHBondContact N-OD2 2.88Å; S429-D460 WeakPolarHBondContact O-CB 3.49Å; S429-D460 PolarHBondContact O-N 2.89Å; S429-D460 PolarHBondContact OG-N 3.2Å; S429-D460 PolarHBondContact OG-OD2 3.25Å; D460-R509 HydrophobicContact CB-CB 4.44Å; D460-R509 WeakPolarHBondContact O-CB 3.47Å; D460-R509 PolarHBondContact O-N 3.05Å; D460-R509 WeakPolarHBondContact OD1-CD 3.34Å; D460-R509 IonicContact OD1-NE 3.39Å; D460-R509 PolarHBondContact OD1-NE 3.38Å; D460-Y510 HydrophobicContact CB-CD2 4.44Å; D460-Y510 HydrophobicContact CB-CE2 3.83Å
461F97.7Very high95Very high1 Ų118 Ų180%0.00410%0.1CC..EExtended strand (participates in β ladder)trans-122.9126.3171.2-175.5-83.4000108.2S429 A430 A431 A506 L507 L533 V535 F544 V546 L579S429-F461 PolarHBondContact O-N 3.05Å; A430-F461 CarbonylContact C-O 3.52Å; A430-F461 VanDerWaalsContact CA-O 3.23Å; A430-F461 WeakPolarHBondContact CA-O 3.27Å; A431-F461 PolarHBondContact N-O 3.09Å; F461-A506 HydrophobicContact CE2-CB 4.06Å; F461-A506 HydrophobicContact CZ-CB 3.66Å; F461-L507 CarbonylContact C-O 3.58Å; F461-L507 WeakPolarHBondContact CA-O 3.25Å; F461-L533 HydrophobicContact CE2-CD1 4.29Å; F461-L533 HydrophobicContact CZ-CD1 3.85Å; F461-V535 HydrophobicContact CD2-CG2 4.1Å; F461-V535 HydrophobicContact CE2-CG2 4.01Å; F461-F544 HydrophobicContact CB-CE1 3.76Å; F461-F544 HydrophobicContact CB-CZ 3.9Å; F461-F544 AromaticContact CD1-CD1 3.56Å; F461-F544 HydrophobicContact CD1-CD1 3.56Å; F461-F544 AromaticContact CD1-CE1 3.54Å; F461-F544 HydrophobicContact CD1-CE1 3.54Å; F461-F544 HydrophobicContact CD1-CG 4.4Å; F461-F544 HydrophobicContact CD1-CZ 4.37Å; F461-F544 HydrophobicContact CD2-CD1 4.01Å; F461-F544 HydrophobicContact CD2-CD2 4.23Å; F461-F544 AromaticContact CD2-CE1 3.87Å; F461-F544 HydrophobicContact CD2-CE1 3.87Å; F461-F544 HydrophobicContact CD2-CE2 4.12Å; F461-F544 HydrophobicContact CD2-CG 4.18Å; F461-F544 AromaticContact CD2-CZ 3.93Å; F461-F544 HydrophobicContact CD2-CZ 3.93Å; F461-F544 HydrophobicContact CE1-CB 4.43Å; F461-F544 AromaticContact CE1-CD1 3.59Å; F461-F544 HydrophobicContact CE1-CD1 3.59Å; F461-F544 HydrophobicContact CE1-CE1 4.08Å; F461-F544 HydrophobicContact CE1-CG 4.14Å; F461-F544 HydrophobicContact CE2-CB 4.34Å; F461-F544 HydrophobicContact CE2-CD1 4.03Å; F461-F544 HydrophobicContact CE2-CD2 4.16Å; F461-F544 HydrophobicContact CE2-CE1 4.37Å; F461-F544 AromaticContact CE2-CG 3.91Å; F461-F544 HydrophobicContact CE2-CG 3.91Å; F461-F544 AromaticContact CG-CD1 3.78Å; F461-F544 HydrophobicContact CG-CD1 3.78Å; F461-F544 AromaticContact CG-CE1 3.43Å; F461-F544 HydrophobicContact CG-CE1 3.43Å; F461-F544 VanDerWaalsContact CG-CE1 3.43Å; F461-F544 HydrophobicContact CG-CE2 4.45Å; F461-F544 HydrophobicContact CG-CG 4.42Å; F461-F544 AromaticContact CG-CZ 3.8Å; F461-F544 HydrophobicContact CG-CZ 3.8Å; F461-F544 HydrophobicContact CZ-CB 4.01Å; F461-F544 AromaticContact CZ-CD1 3.83Å; F461-F544 HydrophobicContact CZ-CD1 3.83Å; F461-F544 HydrophobicContact CZ-CE1 4.46Å; F461-F544 AromaticContact CZ-CG 3.89Å; F461-F544 HydrophobicContact CZ-CG 3.89Å; F461-V546 HydrophobicContact CE1-CG2 4.36Å; F461-V546 HydrophobicContact CZ-CG2 4.46Å; F461-L579 HydrophobicContact CD1-CD1 3.62Å; F461-L579 HydrophobicContact CE1-CD1 3.49Å; F461-L579 VanDerWaalsContact CE1-CD1 3.49Å
462I98.1Very high95Very high1 Ų117.9 Ų17.91%0.00510%0.098CC..EExtended strand (participates in β ladder)trans-125.1127.2179.5-61.5163.1000106.5A431 L454 A459 I464 F489 L507A431-I462 HydrophobicContact CB-CG1 4.45Å; A431-I462 WeakPolarHBondContact O-CA 3.47Å; L454-I462 HydrophobicContact CB-CD1 4.23Å; L454-I462 HydrophobicContact CD2-CD1 4.32Å; L454-I462 HydrophobicContact CD2-CG2 3.84Å; A459-I462 HydrophobicContact CB-CD1 4.17Å; A459-I462 HydrophobicContact CB-CG1 3.61Å; I462-I464 HydrophobicContact CG2-CD1 4.37Å; I462-I464 HydrophobicContact CG2-CG1 4.14Å; I462-F489 HydrophobicContact CD1-CE1 4.11Å; I462-F489 HydrophobicContact CD1-CZ 4.32Å; I462-L507 HydrophobicContact CB-CB 4.28Å; I462-L507 PolarHBondContact N-O 3.46Å; I462-L507 PolarHBondContact O-N 3.45Å
463T97.6Very high94.9Very high0 Ų012.8 Ų12.80%08%0.075CC..EExtended strand (participates in β ladder)trans-111.8137.7166.8-167.10000110.5A431 I432 W433 M505 V546 L579A431-T463 PolarHBondContact O-N 2.76Å; I432-T463 WeakPolarHBondContact CA-O 3.27Å; I432-T463 HydrophobicContact CB-CG2 3.79Å; I432-T463 HydrophobicContact CD1-CG2 4.2Å; I432-T463 HydrophobicContact CG1-CG2 3.84Å; W433-T463 PolarHBondContact N-O 3.13Å; T463-M505 WeakPolarHBondContact CA-O 3.49Å; T463-M505 PolarHBondContact OG1-O 2.93Å; T463-V546 HydrophobicContact CG2-CG1 3.8Å; T463-V546 HydrophobicContact CG2-CG2 4.28Å; T463-V546 VanDerWaalsContact OG1-CG1 3.23Å; T463-V546 WeakPolarHBondContact OG1-CG1 3.39Å; T463-L579 HydrophobicContact CG2-CB 3.76Å; T463-L579 HydrophobicContact CG2-CD1 3.84Å; T463-L579 HydrophobicContact CG2-CG 4.33Å
464I95.9Very high94.9Very high0 Ų012.9 Ų12.90%08%0.075CC..EExtended strand (participates in β ladder)trans-121.6130.8177.3-71166.7000108.9W433 F435 L454 I462 L483 M505 L507W433-I464 VanDerWaalsContact O-CA 3.23Å; W433-I464 WeakPolarHBondContact O-CA 3.21Å; F435-I464 HydrophobicContact CB-CB 4.48Å; F435-I464 HydrophobicContact CB-CG2 3.21Å; F435-I464 HydrophobicContact CD1-CD1 4.24Å; F435-I464 HydrophobicContact CD1-CG2 3.78Å; F435-I464 HydrophobicContact CG-CG2 3.88Å; L454-I464 HydrophobicContact CD1-CD1 3.85Å; I462-I464 HydrophobicContact CG2-CD1 4.37Å; I462-I464 HydrophobicContact CG2-CG1 4.14Å; I464-L483 HydrophobicContact CD1-CD1 3.46Å; I464-L483 VanDerWaalsContact CD1-CD1 3.46Å; I464-M505 HydrophobicContact CB-CG 3.54Å; I464-M505 HydrophobicContact CB-SD 4.05Å; I464-M505 HydrophobicContact CD1-SD 4Å; I464-M505 HydrophobicContact CG2-CG 4.07Å; I464-M505 HydrophobicContact CG2-SD 4.32Å; I464-M505 PolarHBondContact N-O 3.49Å; I464-M505 PolarHBondContact O-N 3.02Å; I464-L507 HydrophobicContact CD1-CD1 4.48Å
465L95.5Very high94.7Very high0 Ų013.1 Ų13.10%08%0.078CC..EExtended strand (participates in β ladder)trans-102.2163.1177.7-46.2-177.7000109.8I432 W433 F435 S467 I504 V546 H548 Y581I432-L465 HydrophobicContact CD1-CD1 3.94Å; I432-L465 HydrophobicContact CG1-CD1 4.32Å; W433-L465 PolarHBondContact O-N 2.92Å; F435-L465 PolarHBondContact N-O 3.26Å; L465-S467 VanDerWaalsContact C-N 3.28Å; L465-S467 PolarHBondContact O-N 3.28Å; L465-I504 HydrophobicContact CD2-CB 4.45Å; L465-I504 HydrophobicContact CD2-CD1 4.33Å; L465-I504 HydrophobicContact CD2-CG1 3.92Å; L465-I504 HydrophobicContact CD2-CG2 3.99Å; L465-V546 HydrophobicContact CD2-CG1 3.86Å; L465-H548 HydrophobicContact CB-CB 4.47Å; L465-H548 HydrophobicContact CD1-CB 4.12Å; L465-H548 HydrophobicContact CD2-CB 4.4Å; L465-Y581 HydrophobicContact CD1-CD2 4.48Å; L465-Y581 HydrophobicContact CD1-CG 4.29Å
466E93.1Very high94.8Very high34 Ų348 Ų816%0.1595%0.05CC..SBendtrans5449.4-174-59.5179.7-175.800111.4R436 F437 W502 G503 H548R436-E466 WeakPolarHBondContact CA-OE2 3.22Å; F437-E466 WeakPolarHBondContact CA-O 3.47Å; F437-E466 HydrophobicContact CD1-CB 4.48Å; F437-E466 WeakPolarHBondContact CD1-O 3.45Å; F437-E466 HydrophobicContact CE1-CB 4Å; F437-E466 HydrophobicContact CE2-CB 4.33Å; F437-E466 HydrophobicContact CZ-CB 3.91Å; F437-E466 HydrophobicContact CZ-CG 4.39Å; F437-E466 PolarHBondContact N-O 3.4Å; E466-W502 CarbonylContact C-O 3.59Å; E466-W502 WeakPolarHBondContact CA-O 3.39Å; E466-W502 HydrophobicContact CG-CB 4.36Å; E466-G503 PolarHBondContact N-O 3.23Å; E466-H548 IonicContact OE1-CE1 2.97Å; E466-H548 IonicContact OE1-NE2 2.8Å
467S94.4Very high94.8Very high1 Ų17.4 Ų7.41%0.0075%0.049CC..  trans-106.5-12.5-162.983.70000113.6L465 A469 W502 G503 I504 M505L465-S467 VanDerWaalsContact C-N 3.28Å; L465-S467 PolarHBondContact O-N 3.28Å; S467-A469 PolarHBondContact O-N 2.9Å; S467-W502 PolarHBondContact N-O 3.34Å; S467-G503 PolarHBondContact N-O 3.35Å; S467-I504 PolarHBondContact OG-N 2.85Å; S467-M505 PolarHBondContact OG-N 3.26Å
468D94.9Very high94.9Very high0 Ų07.1 Ų7.10%05%0.047CC..  trans-83.989.2-178.6-179.726.6000111.9S470 K471 M474 F493 T497 W502D468-S470 VanDerWaalsContact C-N 3.33Å; D468-S470 WeakPolarHBondContact OD1-CB 3.48Å; D468-S470 PolarHBondContact OD1-N 3.05Å; D468-S470 PolarHBondContact OD1-OG 3.45Å; D468-K471 IonicContact OD2-NZ 3.36Å; D468-K471 PolarHBondContact OD2-NZ 3.41Å; D468-M474 WeakPolarHBondContact O-CE 3.33Å; D468-F493 HydrophobicContact CB-CZ 4.38Å; D468-T497 PolarHBondContact OD1-OG1 3.2Å; D468-T497 WeakPolarHBondContact OD2-CB 3.11Å; D468-T497 PolarHBondContact OD2-OG1 3.39Å; D468-W502 WeakPolarHBondContact CB-O 3.47Å; D468-W502 PolarHBondContact N-O 3.16Å
469A94.7Very high95.1Very high0 Ų05.5 Ų5.50%03%0.029CC..  trans-93.217.4170.100000113.2F437 S467 K471 M474 N476 N477 L479F437-A469 HydrophobicContact CB-CB 4.38Å; S467-A469 PolarHBondContact O-N 2.9Å; A469-K471 PolarHBondContact O-N 3.25Å; A469-K471 VanDerWaalsContact O-N 3.14Å; A469-M474 HydrophobicContact CB-CB 4.27Å; A469-N476 CarbonylContact O-C 3.6Å; A469-N476 WeakPolarHBondContact O-CA 3.28Å; A469-N476 PolarHBondContact O-N 3.04Å; A469-N477 CarbonylContact C-O 3.55Å; A469-N477 VanDerWaalsContact C-O 3.26Å; A469-N477 HydrophobicContact CB-CB 4.13Å; A469-N477 PolarHBondContact O-N 3.42Å; A469-L479 HydrophobicContact CB-CD1 3.91Å; A469-L479 HydrophobicContact CB-CD2 4.3Å; A469-L479 HydrophobicContact CB-CG 3.89Å
470S94.9Very high95.1Very high1 Ų15.4 Ų5.41%0.0073%0.029CC..  trans-79.29-174.2-38.70000113.9L218 D468 N476L218-S470 WeakPolarHBondContact CD2-O 3.2Å; D468-S470 VanDerWaalsContact C-N 3.33Å; D468-S470 WeakPolarHBondContact OD1-CB 3.48Å; D468-S470 PolarHBondContact OD1-N 3.05Å; D468-S470 PolarHBondContact OD1-OG 3.45Å; S470-N476 PolarHBondContact O-OD1 2.98Å
471K93.7Very high95.2Very high6 Ų64.9 Ų4.93%0.0263%0.025CC..SBendtrans-100.4150.3-178.8-54.7-172.7-178.888.70110.2T334 D468 A469 Y473 M474 G475 N476 T501T334-K471 WeakPolarHBondContact OG1-CE 3.37Å; D468-K471 IonicContact OD2-NZ 3.36Å; D468-K471 PolarHBondContact OD2-NZ 3.41Å; A469-K471 PolarHBondContact O-N 3.25Å; A469-K471 VanDerWaalsContact O-N 3.14Å; K471-Y473 VanDerWaalsContact C-N 3.31Å; K471-Y473 HydrophobicContact CB-CD1 4.1Å; K471-Y473 HydrophobicContact CB-CE1 3.65Å; K471-Y473 HydrophobicContact CB-CE2 4.48Å; K471-Y473 HydrophobicContact CD-CE1 3.85Å; K471-Y473 HydrophobicContact CD-CE2 4.48Å; K471-Y473 WeakPolarHBondContact CD-OH 3.46Å; K471-Y473 HydrophobicContact CG-CE1 4.35Å; K471-Y473 PolarHBondContact O-N 2.87Å; K471-M474 HydrophobicContact CB-CE 3.91Å; K471-M474 HydrophobicContact CD-CE 3.7Å; K471-M474 HydrophobicContact CG-CE 3.88Å; K471-M474 CarbonylContact O-C 3.5Å; K471-M474 WeakPolarHBondContact O-CA 3.4Å; K471-M474 PolarHBondContact O-N 3.42Å; K471-G475 PolarHBondContact O-N 2.87Å; K471-G475 VanDerWaalsContact O-N 3.08Å; K471-N476 PolarHBondContact O-N 3.26Å; K471-T501 PolarHBondContact NZ-O 3.23Å
472P94.9Very high95.1Very high0 Ų05.1 Ų5.10%03%0.027CC..G310 helixtrans-65.7-33.1-172.322.4-33.9000112.9F207 W211 M474 G475 N476F207-P472 HydrophobicContact CE2-CG 4.14Å; W211-P472 HydrophobicContact CB-CG 4.2Å; W211-P472 VanDerWaalsContact CD1-CD 3.49Å; W211-P472 HydrophobicContact CG-CG 4.25Å; P472-M474 PolarHBondContact O-N 3.31Å; P472-G475 PolarHBondContact O-N 2.93Å; P472-N476 WeakPolarHBondContact CA-OD1 3.23Å; P472-N476 VanDerWaalsContact N-OD1 3.15Å
473Y92.9Very high95.1Very high8 Ų85.1 Ų5.13%0.0313%0.026CC..G310 helixtrans-77.8-0.7173.762.2-92.3000113.5P27 Y30 A331 T334 K471P27-Y473 WeakPolarHBondContact CA-O 3.35Å; Y30-Y473 WeakPolarHBondContact CB-O 3.41Å; Y30-Y473 AromaticContact CD1-CD2 3.72Å; Y30-Y473 HydrophobicContact CD1-CD2 3.72Å; Y30-Y473 HydrophobicContact CD1-CE2 4.14Å; Y30-Y473 AromaticContact CD2-CD2 3.98Å; Y30-Y473 HydrophobicContact CD2-CD2 3.98Å; Y30-Y473 HydrophobicContact CD2-CE2 4.48Å; Y30-Y473 AromaticContact CE1-CD2 3.82Å; Y30-Y473 HydrophobicContact CE1-CD2 3.82Å; Y30-Y473 AromaticContact CE1-CE2 3.74Å; Y30-Y473 HydrophobicContact CE1-CE2 3.74Å; Y30-Y473 HydrophobicContact CE2-CD2 4.13Å; Y30-Y473 HydrophobicContact CE2-CE2 4.16Å; Y30-Y473 AromaticContact CG-CD2 3.82Å; Y30-Y473 HydrophobicContact CG-CD2 3.82Å; Y30-Y473 AromaticContact CZ-CE2 3.8Å; A331-Y473 HydrophobicContact CB-CD1 3.86Å; A331-Y473 HydrophobicContact CB-CD2 4.33Å; A331-Y473 HydrophobicContact CB-CE1 3.87Å; A331-Y473 HydrophobicContact CB-CE2 4.31Å; A331-Y473 HydrophobicContact CB-CG 4.1Å; T334-Y473 PolarHBondContact OG1-OH 3.34Å; K471-Y473 VanDerWaalsContact C-N 3.31Å; K471-Y473 HydrophobicContact CB-CD1 4.1Å; K471-Y473 HydrophobicContact CB-CE1 3.65Å; K471-Y473 HydrophobicContact CB-CE2 4.48Å; K471-Y473 HydrophobicContact CD-CE1 3.85Å; K471-Y473 HydrophobicContact CD-CE2 4.48Å; K471-Y473 WeakPolarHBondContact CD-OH 3.46Å; K471-Y473 HydrophobicContact CG-CE1 4.35Å; K471-Y473 PolarHBondContact O-N 2.87Å
474M91.8Very high95Very high3 Ų35.1 Ų5.12%0.0153%0.027CC..G310 helixtrans-11910.5170.6-65.4-166.9-81.400112.5Y30 F437 D468 A469 K471 P472 N477 W502Y30-M474 HydrophobicContact CD1-CG 3.91Å; Y30-M474 HydrophobicContact CE1-CG 4.01Å; Y30-M474 HydrophobicContact CE1-SD 4.09Å; F437-M474 HydrophobicContact CB-SD 4.27Å; F437-M474 HydrophobicContact CD1-CE 4.35Å; F437-M474 HydrophobicContact CD1-SD 3.5Å; F437-M474 WeakPolarHBondContact CD1-SD 3.44Å; F437-M474 HydrophobicContact CD2-SD 4.06Å; F437-M474 HydrophobicContact CE1-CE 4.36Å; F437-M474 HydrophobicContact CE1-SD 3.81Å; F437-M474 HydrophobicContact CE2-SD 4.34Å; F437-M474 HydrophobicContact CG-SD 3.64Å; F437-M474 HydrophobicContact CZ-SD 4.23Å; D468-M474 WeakPolarHBondContact O-CE 3.33Å; A469-M474 HydrophobicContact CB-CB 4.27Å; K471-M474 HydrophobicContact CB-CE 3.91Å; K471-M474 HydrophobicContact CD-CE 3.7Å; K471-M474 HydrophobicContact CG-CE 3.88Å; K471-M474 CarbonylContact O-C 3.5Å; K471-M474 WeakPolarHBondContact O-CA 3.4Å; K471-M474 PolarHBondContact O-N 3.42Å; P472-M474 PolarHBondContact O-N 3.31Å; M474-N477 PolarHBondContact O-ND2 2.89Å; M474-W502 HydrophobicContact CE-CE3 4.25Å; M474-W502 HydrophobicContact CE-CZ3 4.03Å; M474-W502 HydrophobicContact SD-CZ3 4.35Å
475G92.1Very high95Very high7 Ų76 Ų67%0.0723%0.031CC..THydrogen-bonded Turntrans94.91.5169.200000114.1R137 K471 P472 N477R137-G475 PolarHBondContact NH1-O 3.05Å; R137-G475 PolarHBondContact NH2-O 3.47Å; K471-G475 PolarHBondContact O-N 2.87Å; K471-G475 VanDerWaalsContact O-N 3.08Å; P472-G475 PolarHBondContact O-N 2.93Å; G475-N477 VanDerWaalsContact C-N 3.25Å; G475-N477 PolarHBondContact O-N 3.15Å
476N95.8Very high95Very high0 Ų010.4 Ų10.40%05%0.05CC..SBendtrans56.137.3-176.6-67.9-45.8000113.2R137 H210 E215 L218 A469 S470 K471 P472R137-N476 VanDerWaalsContact NH2-C 3.3Å; R137-N476 PolarHBondContact NH2-O 2.85Å; H210-N476 PolarHBondContact CD2-ND2 3.04Å; H210-N476 PolarHBondContact NE2-ND2 3.08Å; H210-N476 PolarHBondContact O-ND2 3.34Å; E215-N476 HydrophobicContact CB-CB 4.43Å; L218-N476 HydrophobicContact CD1-CB 3.98Å; L218-N476 HydrophobicContact CD2-CB 4.31Å; A469-N476 CarbonylContact O-C 3.6Å; A469-N476 WeakPolarHBondContact O-CA 3.28Å; A469-N476 PolarHBondContact O-N 3.04Å; S470-N476 PolarHBondContact O-OD1 2.98Å; K471-N476 PolarHBondContact O-N 3.26Å; P472-N476 WeakPolarHBondContact CA-OD1 3.23Å; P472-N476 VanDerWaalsContact N-OD1 3.15Å
477N95.1Very high95.1Very high26 Ų2610.2 Ų10.214%0.1395%0.05CC..  trans-91.9130.8-176.4-61.6-50.8000110.7R137 L143 A469 M474 G475 L479R137-N477 PolarHBondContact NH2-OD1 3.11Å; L143-N477 HydrophobicContact CD2-CB 4.06Å; A469-N477 CarbonylContact C-O 3.55Å; A469-N477 VanDerWaalsContact C-O 3.26Å; A469-N477 HydrophobicContact CB-CB 4.13Å; A469-N477 PolarHBondContact O-N 3.42Å; M474-N477 PolarHBondContact O-ND2 2.89Å; G475-N477 VanDerWaalsContact C-N 3.25Å; G475-N477 PolarHBondContact O-N 3.15Å; N477-L479 HydrophobicContact CB-CD2 3.87Å; N477-L479 PolarHBondContact O-N 3.38Å
478D96.7Very high95.1Very high0 Ų010.8 Ų10.80%06%0.056CC..  trans-92.785.1173.4-173.6-16.5000110S142 S217 R221 T480 M481 W482S142-D478 WeakPolarHBondContact OG-CB 3.43Å; S142-D478 PolarHBondContact OG-N 3.39Å; S217-D478 WeakPolarHBondContact CB-OD2 3.36Å; S217-D478 WeakPolarHBondContact OG-CB 3.33Å; S217-D478 PolarHBondContact OG-OD2 3.33Å; R221-D478 IonicContact CZ-OD1 3.03Å; R221-D478 IonicContact CZ-OD2 3.92Å; R221-D478 VanDerWaalsContact NE-CG 3.29Å; R221-D478 IonicContact NE-OD1 2.65Å; R221-D478 PolarHBondContact NE-OD1 2.7Å; R221-D478 IonicContact NE-OD2 3.92Å; R221-D478 PolarHBondContact NE-OD2 2.98Å; R221-D478 IonicContact NH2-OD1 3.94Å; R221-D478 PolarHBondContact NH2-OD1 3.19Å; R221-D478 IonicContact NH2-OD2 3.43Å; R221-D478 PolarHBondContact NH2-OD2 2.81Å; D478-T480 VanDerWaalsContact C-N 3.25Å; D478-T480 PolarHBondContact O-N 2.82Å; D478-T480 PolarHBondContact OD1-N 3.36Å; D478-M481 HydrophobicContact CB-CB 4.19Å; D478-M481 HydrophobicContact CB-CE 4.15Å; D478-M481 VanDerWaalsContact CG-CB 3.4Å; D478-M481 WeakPolarHBondContact OD1-CB 3.41Å; D478-M481 PolarHBondContact OD1-N 3.5Å; D478-M481 WeakPolarHBondContact OD2-CB 3.38Å; D478-W482 WeakPolarHBondContact O-CB 3.41Å; D478-W482 PolarHBondContact O-N 2.64Å; D478-W482 VanDerWaalsContact O-N 3.08Å
479L96Very high95.2Very high2 Ų211.1 Ų11.11%0.016%0.057CC..Hα-helixtrans-64.2-32.9-178.8-54.4-169.5000111.8F437 L447 A469 N477 W482 L483 M505F437-L479 WeakPolarHBondContact O-CD1 3.34Å; L447-L479 HydrophobicContact CD1-CD2 3.77Å; L447-L479 HydrophobicContact CD2-CD2 3.83Å; L447-L479 HydrophobicContact CG-CD2 4.35Å; A469-L479 HydrophobicContact CB-CD1 3.91Å; A469-L479 HydrophobicContact CB-CD2 4.3Å; A469-L479 HydrophobicContact CB-CG 3.89Å; N477-L479 HydrophobicContact CB-CD2 3.87Å; N477-L479 PolarHBondContact O-N 3.38Å; L479-W482 PolarHBondContact O-N 3.47Å; L479-L483 WeakPolarHBondContact O-CB 3.47Å; L479-L483 PolarHBondContact O-N 3.46Å; L479-M505 HydrophobicContact CB-CE 3.46Å; L479-M505 VanDerWaalsContact CB-CE 3.46Å
480T96.4Very high95.3Very high0 Ų014.3 Ų14.30%07%0.07CC..Hα-helixtrans-69.2-45.3-177.7-57.40000110.7D478 W482 G484 T491 F493 M505D478-T480 VanDerWaalsContact C-N 3.25Å; D478-T480 PolarHBondContact O-N 2.82Å; D478-T480 PolarHBondContact OD1-N 3.36Å; T480-W482 VanDerWaalsContact C-N 3.3Å; T480-W482 PolarHBondContact O-N 2.91Å; T480-G484 PolarHBondContact O-N 2.65Å; T480-T491 HydrophobicContact CG2-CG2 4.16Å; T480-F493 HydrophobicContact CG2-CB 4.13Å; T480-F493 WeakPolarHBondContact OG1-CD2 3.31Å; T480-M505 HydrophobicContact CG2-CB 4.2Å; T480-M505 WeakPolarHBondContact OG1-CB 3.33Å; T480-M505 VanDerWaalsContact OG1-CE 3.31Å; T480-M505 WeakPolarHBondContact OG1-CE 3.05Å
481M96.4Very high95.3Very high12 Ų1215.4 Ų15.46%0.0598%0.076CC..Hα-helixtrans-62.2-41.5172.8-179.5178.157.900110.4T141 P234 N235 R411 D478 E485T141-M481 HydrophobicContact CG2-CE 4.33Å; T141-M481 HydrophobicContact CG2-CG 4.13Å; P234-M481 HydrophobicContact CB-SD 3.7Å; N235-M481 HydrophobicContact CB-SD 4.06Å; R411-M481 PolarHBondContact NH2-SD 3.39Å; D478-M481 HydrophobicContact CB-CB 4.19Å; D478-M481 HydrophobicContact CB-CE 4.15Å; D478-M481 VanDerWaalsContact CG-CB 3.4Å; D478-M481 WeakPolarHBondContact OD1-CB 3.41Å; D478-M481 PolarHBondContact OD1-N 3.5Å; D478-M481 WeakPolarHBondContact OD2-CB 3.38Å; M481-E485 HydrophobicContact CG-CG 4.43Å; M481-E485 WeakPolarHBondContact O-CB 3.39Å; M481-E485 WeakPolarHBondContact O-CG 3.09Å; M481-E485 PolarHBondContact O-N 3.04Å
482W96.9Very high95.5Very high7 Ų715.3 Ų15.33%0.0278%0.076CC..Hα-helixtrans-61.6-53.9-179.7-165.8100.4000112.8T141 L447 E448 A451 D478 L479 T480 K486T141-W482 VanDerWaalsContact CG2-CA 3.48Å; T141-W482 HydrophobicContact CG2-CB 4.01Å; T141-W482 HydrophobicContact CG2-CG 4.18Å; T141-W482 VanDerWaalsContact O-CD1 3.29Å; L447-W482 HydrophobicContact CB-CD2 4.4Å; L447-W482 HydrophobicContact CB-CE3 4.06Å; L447-W482 HydrophobicContact CB-CH2 3.98Å; L447-W482 HydrophobicContact CB-CZ2 4.29Å; L447-W482 HydrophobicContact CB-CZ3 3.82Å; L447-W482 HydrophobicContact CD1-CD2 4.44Å; L447-W482 HydrophobicContact CD2-CE3 4.33Å; L447-W482 WeakPolarHBondContact O-CZ3 3.4Å; E448-W482 VanDerWaalsContact CD-CZ2 3.47Å; E448-W482 HydrophobicContact CG-CH2 4.03Å; E448-W482 HydrophobicContact CG-CZ2 3.94Å; E448-W482 WeakPolarHBondContact OE1-CZ2 3.44Å; A451-W482 HydrophobicContact CB-CH2 4.1Å; A451-W482 HydrophobicContact CB-CZ3 3.8Å; D478-W482 WeakPolarHBondContact O-CB 3.41Å; D478-W482 PolarHBondContact O-N 2.64Å; D478-W482 VanDerWaalsContact O-N 3.08Å; L479-W482 PolarHBondContact O-N 3.47Å; T480-W482 VanDerWaalsContact C-N 3.3Å; T480-W482 PolarHBondContact O-N 2.91Å; W482-K486 HydrophobicContact CE3-CB 4.32Å; W482-K486 HydrophobicContact CH2-CB 4.41Å; W482-K486 HydrophobicContact CH2-CD 4.09Å; W482-K486 HydrophobicContact CH2-CG 4.01Å; W482-K486 HydrophobicContact CZ2-CD 4.39Å; W482-K486 HydrophobicContact CZ3-CB 4.14Å; W482-K486 HydrophobicContact CZ3-CG 4.08Å; W482-K486 WeakPolarHBondContact O-CB 3.37Å; W482-K486 PolarHBondContact O-N 3.26Å
483L96.4Very high95.6Very high0 Ų015.5 Ų15.50%08%0.077CC..Hα-helixtrans-68.1-40.1179.8-74170.3000112.1F435 A451 L454 I464 L479 K486 L487 M505 L507F435-L483 HydrophobicContact CD1-CD1 4.47Å; F435-L483 HydrophobicContact CE1-CD1 4.05Å; A451-L483 HydrophobicContact CB-CD2 4.09Å; L454-L483 HydrophobicContact CD1-CD2 4.25Å; I464-L483 HydrophobicContact CD1-CD1 3.46Å; I464-L483 VanDerWaalsContact CD1-CD1 3.46Å; L479-L483 WeakPolarHBondContact O-CB 3.47Å; L479-L483 PolarHBondContact O-N 3.46Å; L483-K486 PolarHBondContact O-N 3.15Å; L483-L487 HydrophobicContact CD2-CD1 4.48Å; L483-L487 WeakPolarHBondContact O-CB 3.45Å; L483-L487 WeakPolarHBondContact O-CG 3.43Å; L483-L487 PolarHBondContact O-N 2.86Å; L483-M505 HydrophobicContact CD1-CE 4.4Å; L483-M505 HydrophobicContact CD1-SD 3.79Å; L483-L507 HydrophobicContact CB-CD1 3.83Å; L483-L507 HydrophobicContact CD1-CD1 4.42Å
484G95.9Very high95.2Very high1 Ų115.1 Ų15.11%0.018%0.076CC..Hα-helixtrans-57.2-51.5176.100000112.5Y415 T480 G488 F489Y415-G484 WeakPolarHBondContact CE2-O 3.46Å; T480-G484 PolarHBondContact O-N 2.65Å; G484-G488 VanDerWaalsContact O-CA 3.29Å; G484-G488 WeakPolarHBondContact O-CA 3.11Å; G484-G488 PolarHBondContact O-N 3.09Å; G484-F489 PolarHBondContact O-N 2.99Å
485E96.1Very high95.4Very high19 Ų1915.1 Ų15.19%0.0898%0.076CC..Hα-helixtrans-67.8-37.5178.1-72.4-171.7-169.600112.8T141 N235 R411 Y415 K418 M481T141-E485 HydrophobicContact CG2-CB 4.49Å; T141-E485 PolarHBondContact OG1-OE2 3.22Å; N235-E485 PolarHBondContact ND2-OE1 2.88Å; R411-E485 IonicContact CZ-OE1 3.33Å; R411-E485 IonicContact CZ-OE2 2.7Å; R411-E485 IonicContact NE-OE1 2.7Å; R411-E485 IonicContact NE-OE2 3.69Å; R411-E485 PolarHBondContact NE-OE2 3.34Å; R411-E485 IonicContact NH2-OE1 3.13Å; R411-E485 PolarHBondContact NH2-OE1 3.47Å; R411-E485 IonicContact NH2-OE2 2.76Å; R411-E485 PolarHBondContact NH2-OE2 2.86Å; Y415-E485 HydrophobicContact CD1-CG 4.34Å; Y415-E485 HydrophobicContact CD2-CB 4.39Å; Y415-E485 HydrophobicContact CD2-CG 4.07Å; Y415-E485 HydrophobicContact CG-CG 3.94Å; K418-E485 WeakPolarHBondContact CD-O 3.35Å; K418-E485 PolarHBondContact NZ-O 2.99Å; M481-E485 HydrophobicContact CG-CG 4.43Å; M481-E485 WeakPolarHBondContact O-CB 3.39Å; M481-E485 WeakPolarHBondContact O-CG 3.09Å; M481-E485 PolarHBondContact O-N 3.04Å
486K95.9Very high95.5Very high92 Ų9214.8 Ų14.840%0.47%0.072SC..Hα-helixtrans-63.8-53.8179.6-175.574.1-178.3-156.90110.7K418 E448 A451 W482 L483K418-K486 PolarHBondContact NZ-O 3.18Å; E448-K486 IonicContact OE1-NZ 3.04Å; E448-K486 PolarHBondContact OE1-NZ 2.91Å; E448-K486 WeakPolarHBondContact OE2-CE 3.42Å; E448-K486 IonicContact OE2-NZ 2.97Å; E448-K486 PolarHBondContact OE2-NZ 3.44Å; A451-K486 HydrophobicContact CB-CG 3.77Å; W482-K486 HydrophobicContact CE3-CB 4.32Å; W482-K486 HydrophobicContact CH2-CB 4.41Å; W482-K486 HydrophobicContact CH2-CD 4.09Å; W482-K486 HydrophobicContact CH2-CG 4.01Å; W482-K486 HydrophobicContact CZ2-CD 4.39Å; W482-K486 HydrophobicContact CZ3-CB 4.14Å; W482-K486 HydrophobicContact CZ3-CG 4.08Å; W482-K486 WeakPolarHBondContact O-CB 3.37Å; W482-K486 PolarHBondContact O-N 3.26Å; L483-K486 PolarHBondContact O-N 3.15Å
487L95Very high95.4Very high29 Ų2915.1 Ų15.115%0.1527%0.074CC..Hα-helixtrans-82.9-23.3-174.6-60.8176.2000113.2A451 L454 N455 L483 F489 L507A451-L487 HydrophobicContact CB-CD2 4.22Å; A451-L487 WeakPolarHBondContact O-CD2 3.29Å; L454-L487 HydrophobicContact CB-CD1 4.19Å; L454-L487 HydrophobicContact CD1-CD1 4.29Å; N455-L487 HydrophobicContact CB-CD2 4.06Å; L483-L487 HydrophobicContact CD2-CD1 4.48Å; L483-L487 WeakPolarHBondContact O-CB 3.45Å; L483-L487 WeakPolarHBondContact O-CG 3.43Å; L483-L487 PolarHBondContact O-N 2.86Å; L487-F489 HydrophobicContact CB-CD2 3.47Å; L487-F489 VanDerWaalsContact CB-CD2 3.47Å; L487-F489 HydrophobicContact CB-CE2 3.81Å; L487-F489 HydrophobicContact CB-CG 4.35Å; L487-F489 WeakPolarHBondContact O-CD2 3.35Å; L487-L507 HydrophobicContact CD1-CD1 4.07Å
488G95.3Very high95.4Very high13 Ų1314.8 Ų14.813%0.1347%0.071CC..THydrogen-bonded Turntrans78.442.1-176.100000113.4G484G484-G488 VanDerWaalsContact O-CA 3.29Å; G484-G488 WeakPolarHBondContact O-CA 3.11Å; G484-G488 PolarHBondContact O-N 3.09Å
489F96.1Very high95.2Very high7 Ų718 Ų183%0.0318%0.084CC..  trans-111.8145.2-176.7-80.3-125.1000110.1Y415 I462 G484 L487 T491 L507 S508 R509Y415-F489 PolarHBondContact OH-O 3.23Å; I462-F489 HydrophobicContact CD1-CE1 4.11Å; I462-F489 HydrophobicContact CD1-CZ 4.32Å; G484-F489 PolarHBondContact O-N 2.99Å; L487-F489 HydrophobicContact CB-CD2 3.47Å; L487-F489 VanDerWaalsContact CB-CD2 3.47Å; L487-F489 HydrophobicContact CB-CE2 3.81Å; L487-F489 HydrophobicContact CB-CG 4.35Å; L487-F489 WeakPolarHBondContact O-CD2 3.35Å; F489-T491 WeakPolarHBondContact O-CG2 3.42Å; F489-L507 HydrophobicContact CB-CB 3.91Å; F489-L507 HydrophobicContact CD1-CB 3.87Å; F489-L507 HydrophobicContact CG-CB 4.18Å; F489-S508 CarbonylContact C-O 3.45Å; F489-S508 WeakPolarHBondContact CA-O 3.38Å; F489-R509 HydrophobicContact CD1-CB 4.44Å; F489-R509 VanDerWaalsContact CD1-N 3.3Å; F489-R509 HydrophobicContact CE1-CB 4.09Å; F489-R509 HydrophobicContact CZ-CB 4.41Å
490Y96.3Very high95.1Very high68 Ų6818.7 Ų18.727%0.2679%0.087SC..EExtended strand (participates in β ladder)trans-60.6143.5163.5-62.2-85.3000109.4L419 L507 S508 Y510 P511L419-Y490 HydrophobicContact CD1-CE1 4.37Å; L419-Y490 HydrophobicContact CD2-CD1 4.17Å; L419-Y490 HydrophobicContact CD2-CD2 4.21Å; L419-Y490 HydrophobicContact CD2-CE1 4.24Å; L419-Y490 HydrophobicContact CD2-CE2 4.27Å; L419-Y490 HydrophobicContact CD2-CG 4.15Å; Y490-L507 CarbonylContact O-C 3.59Å; Y490-L507 WeakPolarHBondContact O-CA 3.42Å; Y490-S508 WeakPolarHBondContact CB-O 3.46Å; Y490-S508 WeakPolarHBondContact CD2-O 3.47Å; Y490-S508 PolarHBondContact N-O 3.44Å; Y490-S508 PolarHBondContact O-N 2.75Å; Y490-Y510 VanDerWaalsContact CD2-O 3.23Å; Y490-Y510 WeakPolarHBondContact CD2-O 3.08Å; Y490-P511 HydrophobicContact CE1-CG 4.49Å; Y490-P511 HydrophobicContact CE2-CB 4.46Å; Y490-P511 HydrophobicContact CE2-CG 3.94Å
491T96.8Very high94.9Very high23 Ų2318.7 Ų18.714%0.1419%0.087CC..EExtended strand (participates in β ladder)trans-126.1142.7-170.662.50000112.3T480 F489 A506 L507T480-T491 HydrophobicContact CG2-CG2 4.16Å; F489-T491 WeakPolarHBondContact O-CG2 3.42Å; T491-A506 CarbonylContact C-O 3.58Å; T491-A506 WeakPolarHBondContact CA-O 3.35Å; T491-L507 HydrophobicContact CG2-CD2 3.68Å
492D97.6Very high94.7Very high4 Ų418.7 Ų18.72%0.0219%0.086CC..EExtended strand (participates in β ladder)trans-123.8127.4162.6-170.4-71.6000108.5H227 M505 A506 I512 S515 H517 L533H227-D492 IonicContact CD2-OD2 3.94Å; H227-D492 PolarHBondContact CD2-OD2 3.25Å; D492-M505 WeakPolarHBondContact O-CA 3.14Å; D492-A506 HydrophobicContact CB-CB 4.25Å; D492-A506 PolarHBondContact N-O 3.45Å; D492-A506 PolarHBondContact O-N 3.07Å; D492-I512 HydrophobicContact CB-CD1 3.94Å; D492-S515 WeakPolarHBondContact OD2-CB 3.26Å; D492-S515 PolarHBondContact OD2-OG 3.38Å; D492-H517 IonicContact OD1-CD2 2.96Å; D492-H517 IonicContact OD1-CE1 3.63Å; D492-H517 IonicContact OD1-NE2 3.03Å; D492-H517 PolarHBondContact OD1-NE2 2.92Å; D492-H517 IonicContact OD2-NE2 3.66Å; D492-L533 HydrophobicContact CB-CD2 3.74Å
493F95.9Very high94.6Very high5 Ų518.4 Ų18.42%0.0229%0.086CC..EExtended strand (participates in β ladder)trans-105.3112.6171.7178.4-72.8000106.4R221 V224 D468 T480 P495 H517R221-F493 HydrophobicContact CB-CE1 4.13Å; R221-F493 HydrophobicContact CB-CE2 4.47Å; R221-F493 HydrophobicContact CB-CZ 4.04Å; R221-F493 HydrophobicContact CG-CD2 4.36Å; R221-F493 HydrophobicContact CG-CE1 4.5Å; R221-F493 HydrophobicContact CG-CE2 4.09Å; R221-F493 HydrophobicContact CG-CZ 4.17Å; V224-F493 HydrophobicContact CG1-CD1 3.74Å; V224-F493 HydrophobicContact CG1-CE1 4.3Å; D468-F493 HydrophobicContact CB-CZ 4.38Å; T480-F493 HydrophobicContact CG2-CB 4.13Å; T480-F493 WeakPolarHBondContact OG1-CD2 3.31Å; F493-P495 WeakPolarHBondContact CE1-O 3.49Å; F493-H517 PolarHBondContact O-CE1 3.43Å
494G85.6Confident94.7Very high0 Ų018.5 Ų18.50%09%0.086CC..EExtended strand (participates in β ladder)trans-156139.9-173.200000114.2I504 H517G494-I504 CarbonylContact C-O 3.6Å; G494-I504 PolarHBondContact N-O 3.11Å; G494-I504 CarbonylContact O-C 3.47Å; G494-I504 VanDerWaalsContact O-CA 3.3Å; G494-I504 WeakPolarHBondContact O-CA 3.24Å; G494-I504 WeakPolarHBondContact O-CB 3.4Å; G494-I504 PolarHBondContact O-N 2.71Å; G494-H517 WeakPolarHBondContact CA-CE1 3.32Å; G494-H517 WeakPolarHBondContact CA-NE2 3.3Å
495P94.4Very high94.7Very high2 Ų218.4 Ų18.41%0.0139%0.085CC..SBendcis-70171.8-9.8-19.332.8000114F493 Y499 T501 H517 L519 P529F493-P495 WeakPolarHBondContact CE1-O 3.49Å; P495-Y499 HydrophobicContact CB-CD2 3.79Å; P495-T501 HydrophobicContact CG-CG2 4.32Å; P495-H517 HydrophobicContact CB-CB 4.09Å; P495-H517 HydrophobicContact CG-CB 4.21Å; P495-L519 HydrophobicContact CB-CD2 4.14Å; P495-L519 HydrophobicContact CG-CD2 3.89Å; P495-P529 HydrophobicContact CG-CB 3.72Å
496S95.6Very high94.8Very high0 Ų017.5 Ų17.50%08%0.081CC..  trans-53144.9172.4175.90000112.5R221 W222 R498 Y499R221-S496 PolarHBondContact O-OG 3.17Å; W222-S496 WeakPolarHBondContact CA-OG 3.3Å; W222-S496 PolarHBondContact O-OG 2.84Å; S496-R498 PolarHBondContact O-N 3.33Å; S496-R498 WeakPolarHBondContact OG-CG 3.39Å; S496-R498 PolarHBondContact OG-N 2.94Å; S496-Y499 WeakPolarHBondContact O-CB 3.28Å; S496-Y499 PolarHBondContact O-N 3.47Å
497T94.1Very high94.9Very high8 Ų813.1 Ų13.15%0.0496%0.062CC..G310 helixtrans-60.2-19.4179.5-167.40000113.3R221 W222 D468 Y499R221-T497 HydrophobicContact CB-CG2 4.21Å; R221-T497 PolarHBondContact O-N 3.14Å; W222-T497 HydrophobicContact CG-CG2 3.94Å; D468-T497 PolarHBondContact OD1-OG1 3.2Å; D468-T497 WeakPolarHBondContact OD2-CB 3.11Å; D468-T497 PolarHBondContact OD2-OG1 3.39Å; T497-Y499 PolarHBondContact O-N 2.86Å
498R93.3Very high95Very high18 Ų1811.8 Ų11.87%0.0686%0.055CC..G310 helixtrans-73.8-11.1175.179.2-171.7-178.41764114.1W222 L275 L276 L278 H279 S496 H500W222-R498 HydrophobicContact CD2-CB 4.49Å; W222-R498 HydrophobicContact CE3-CB 4.18Å; W222-R498 WeakPolarHBondContact O-CD 3.45Å; L275-R498 PolarHBondContact O-NH1 3.02Å; L275-R498 VanDerWaalsContact O-NH1 3.15Å; L276-R498 PolarHBondContact O-NH1 3.13Å; L278-R498 PolarHBondContact O-NH1 3.44Å; L278-R498 PolarHBondContact O-NH2 3.31Å; H279-R498 PolarHBondContact CE1-NH2 2.79Å; H279-R498 PolarHBondContact ND1-NH2 2.86Å; S496-R498 PolarHBondContact O-N 3.33Å; S496-R498 WeakPolarHBondContact OG-CG 3.39Å; S496-R498 PolarHBondContact OG-N 2.94Å; R498-H500 PolarHBondContact O-CD2 3.3Å; R498-H500 PolarHBondContact O-NE2 3.28Å; R498-H500 VanDerWaalsContact O-NE2 3.14Å
499Y93.6Very high94.9Very high69 Ų6915 Ų1527%0.2716%0.063SC..G310 helixtrans-95.214-177.1-62.1-45.5000114.2H279 P495 S496 T497 T501 L519H279-Y499 PolarHBondContact CE1-OH 3.45Å; P495-Y499 HydrophobicContact CB-CD2 3.79Å; S496-Y499 WeakPolarHBondContact O-CB 3.28Å; S496-Y499 PolarHBondContact O-N 3.47Å; T497-Y499 PolarHBondContact O-N 2.86Å; Y499-T501 VanDerWaalsContact C-N 3.25Å; Y499-T501 WeakPolarHBondContact O-CG2 3.28Å; Y499-T501 PolarHBondContact O-N 3.15Å; Y499-T501 VanDerWaalsContact O-N 3.14Å; Y499-L519 HydrophobicContact CD1-CD1 4.33Å; Y499-L519 HydrophobicContact CG-CD1 4.2Å; Y499-L519 HydrophobicContact CG-CD2 4.49Å
500H92.9Very high94.9Very high15 Ų1515.2 Ų15.27%0.0696%0.064CC..  trans59.331.8165.9-51.4-56000115.2T334 E347 S349 R498 I527T334-H500 WeakPolarHBondContact CG2-O 3.46Å; E347-H500 VanDerWaalsContact CA-CD2 3.46Å; E347-H500 WeakPolarHBondContact CA-CD2 3.34Å; E347-H500 HydrophobicContact CG-CB 4.37Å; S349-H500 PolarHBondContact OG-CE1 3.29Å; R498-H500 PolarHBondContact O-CD2 3.3Å; R498-H500 PolarHBondContact O-NE2 3.28Å; R498-H500 VanDerWaalsContact O-NE2 3.14Å; H500-I527 HydrophobicContact CB-CD1 3.81Å
501T93.7Very high94.8Very high1 Ų114.4 Ų14.41%0.0067%0.067CC..SBendtrans-100.8170170.3770000110.3K471 P495 Y499 G503 L519 I527 P529K471-T501 PolarHBondContact NZ-O 3.23Å; P495-T501 HydrophobicContact CG-CG2 4.32Å; Y499-T501 VanDerWaalsContact C-N 3.25Å; Y499-T501 WeakPolarHBondContact O-CG2 3.28Å; Y499-T501 PolarHBondContact O-N 3.15Å; Y499-T501 VanDerWaalsContact O-N 3.14Å; T501-G503 PolarHBondContact OG1-N 3.4Å; T501-G503 VanDerWaalsContact OG1-N 3.11Å; T501-L519 HydrophobicContact CG2-CD2 3.57Å; T501-I527 HydrophobicContact CG2-CB 4.41Å; T501-I527 HydrophobicContact CG2-CG2 3.89Å; T501-I527 WeakPolarHBondContact CG2-O 3.38Å; T501-P529 HydrophobicContact CG2-CB 4.09Å; T501-P529 HydrophobicContact CG2-CG 4.49Å
502W92.3Very high94.8Very high12 Ų1213.9 Ų13.95%0.0456%0.063CC..  trans-78.7-3.5167.7-60.5129.7000113.9Y30 T334 A335 F338 F437 E466 S467 D468 M474 E526Y30-W502 HydrophobicContact CE1-CZ3 4.49Å; Y30-W502 WeakPolarHBondContact OH-CH2 3.36Å; Y30-W502 WeakPolarHBondContact OH-CZ3 3.43Å; T334-W502 HydrophobicContact CG2-CD2 4.16Å; T334-W502 HydrophobicContact CG2-CE3 3.91Å; T334-W502 HydrophobicContact CG2-CH2 3.57Å; T334-W502 HydrophobicContact CG2-CZ2 3.88Å; T334-W502 HydrophobicContact CG2-CZ3 3.64Å; A335-W502 HydrophobicContact CB-CH2 4.05Å; A335-W502 HydrophobicContact CB-CZ2 4.32Å; F338-W502 HydrophobicContact CE2-CZ2 4.39Å; F437-W502 HydrophobicContact CE1-CB 3.91Å; F437-W502 HydrophobicContact CE1-CD2 4.18Å; F437-W502 AromaticContact CE1-CE3 3.59Å; F437-W502 HydrophobicContact CE1-CE3 3.59Å; F437-W502 HydrophobicContact CE1-CG 4.31Å; F437-W502 HydrophobicContact CE1-CZ3 4.49Å; F437-W502 HydrophobicContact CE2-CE3 4.29Å; F437-W502 HydrophobicContact CZ-CB 3.9Å; F437-W502 AromaticContact CZ-CD2 3.65Å; F437-W502 HydrophobicContact CZ-CD2 3.65Å; F437-W502 AromaticContact CZ-CE3 3.28Å; F437-W502 HydrophobicContact CZ-CE3 3.28Å; F437-W502 AromaticContact CZ-CG 3.88Å; F437-W502 HydrophobicContact CZ-CG 3.88Å; F437-W502 HydrophobicContact CZ-CZ3 4.07Å; E466-W502 CarbonylContact C-O 3.59Å; E466-W502 WeakPolarHBondContact CA-O 3.39Å; E466-W502 HydrophobicContact CG-CB 4.36Å; S467-W502 PolarHBondContact N-O 3.34Å; D468-W502 WeakPolarHBondContact CB-O 3.47Å; D468-W502 PolarHBondContact N-O 3.16Å; M474-W502 HydrophobicContact CE-CE3 4.25Å; M474-W502 HydrophobicContact CE-CZ3 4.03Å; M474-W502 HydrophobicContact SD-CZ3 4.35Å; W502-E526 PolarHBondContact NE1-OE1 3.46Å; W502-E526 PolarHBondContact NE1-OE2 3.17Å
503G94.7Very high94.8Very high1 Ų117 Ų171%0.018%0.082CC..  trans81.8151173.800000114.7E466 S467 T501E466-G503 PolarHBondContact N-O 3.23Å; S467-G503 PolarHBondContact N-O 3.35Å; T501-G503 PolarHBondContact OG1-N 3.4Å; T501-G503 VanDerWaalsContact OG1-N 3.11Å
504I96.9Very high94.8Very high1 Ų122.2 Ų22.21%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-123.4142.6165.8-57.8174.3000106.7L465 S467 G494 P529 I531 V546L465-I504 HydrophobicContact CD2-CB 4.45Å; L465-I504 HydrophobicContact CD2-CD1 4.33Å; L465-I504 HydrophobicContact CD2-CG1 3.92Å; L465-I504 HydrophobicContact CD2-CG2 3.99Å; S467-I504 PolarHBondContact OG-N 2.85Å; G494-I504 CarbonylContact C-O 3.6Å; G494-I504 PolarHBondContact N-O 3.11Å; G494-I504 CarbonylContact O-C 3.47Å; G494-I504 VanDerWaalsContact O-CA 3.3Å; G494-I504 WeakPolarHBondContact O-CA 3.24Å; G494-I504 WeakPolarHBondContact O-CB 3.4Å; G494-I504 PolarHBondContact O-N 2.71Å; I504-P529 HydrophobicContact CD1-CB 3.86Å; I504-P529 HydrophobicContact CD1-CG 3.85Å; I504-P529 WeakPolarHBondContact CD1-O 3.45Å; I504-P529 HydrophobicContact CG1-CB 4.06Å; I504-P529 HydrophobicContact CG1-CG 3.76Å; I504-I531 HydrophobicContact CB-CD1 4.19Å; I504-I531 HydrophobicContact CG2-CD1 3.47Å; I504-I531 VanDerWaalsContact CG2-CD1 3.47Å; I504-I531 HydrophobicContact CG2-CG1 3.94Å; I504-V546 HydrophobicContact CD1-CG1 4.2Å; I504-V546 HydrophobicContact CG2-CB 4.35Å; I504-V546 HydrophobicContact CG2-CG1 3.69Å
505M96.7Very high95.4Very high0 Ų022.6 Ų22.60%011%0.107CC..EExtended strand (participates in β ladder)trans-123.7140.2163.467.9167.87500110.3T463 I464 S467 L479 T480 L483 D492T463-M505 WeakPolarHBondContact CA-O 3.49Å; T463-M505 PolarHBondContact OG1-O 2.93Å; I464-M505 HydrophobicContact CB-CG 3.54Å; I464-M505 HydrophobicContact CB-SD 4.05Å; I464-M505 HydrophobicContact CD1-SD 4Å; I464-M505 HydrophobicContact CG2-CG 4.07Å; I464-M505 HydrophobicContact CG2-SD 4.32Å; I464-M505 PolarHBondContact N-O 3.49Å; I464-M505 PolarHBondContact O-N 3.02Å; S467-M505 PolarHBondContact OG-N 3.26Å; L479-M505 HydrophobicContact CB-CE 3.46Å; L479-M505 VanDerWaalsContact CB-CE 3.46Å; T480-M505 HydrophobicContact CG2-CB 4.2Å; T480-M505 WeakPolarHBondContact OG1-CB 3.33Å; T480-M505 VanDerWaalsContact OG1-CE 3.31Å; T480-M505 WeakPolarHBondContact OG1-CE 3.05Å; L483-M505 HydrophobicContact CD1-CE 4.4Å; L483-M505 HydrophobicContact CD1-SD 3.79Å; D492-M505 WeakPolarHBondContact O-CA 3.14Å
506A97.9Very high95.5Very high0 Ų027.2 Ų27.20%013%0.129CC..EExtended strand (participates in β ladder)trans-113.3134.7169.200000109.7F461 T491 D492 I531 L533F461-A506 HydrophobicContact CE2-CB 4.06Å; F461-A506 HydrophobicContact CZ-CB 3.66Å; T491-A506 CarbonylContact C-O 3.58Å; T491-A506 WeakPolarHBondContact CA-O 3.35Å; D492-A506 HydrophobicContact CB-CB 4.25Å; D492-A506 PolarHBondContact N-O 3.45Å; D492-A506 PolarHBondContact O-N 3.07Å; A506-I531 HydrophobicContact CB-CD1 4.09Å; A506-L533 HydrophobicContact CB-CD1 3.99Å; A506-L533 HydrophobicContact CB-CD2 4.24Å
507L97.8Very high95.6Very high0 Ų028.9 Ų28.90%014%0.137CC..EExtended strand (participates in β ladder)trans-117.9124173.4-52.2175.3000107F461 I462 I464 L483 L487 F489 Y490 T491F461-L507 CarbonylContact C-O 3.58Å; F461-L507 WeakPolarHBondContact CA-O 3.25Å; I462-L507 HydrophobicContact CB-CB 4.28Å; I462-L507 PolarHBondContact N-O 3.46Å; I462-L507 PolarHBondContact O-N 3.45Å; I464-L507 HydrophobicContact CD1-CD1 4.48Å; L483-L507 HydrophobicContact CB-CD1 3.83Å; L483-L507 HydrophobicContact CD1-CD1 4.42Å; L487-L507 HydrophobicContact CD1-CD1 4.07Å; F489-L507 HydrophobicContact CB-CB 3.91Å; F489-L507 HydrophobicContact CD1-CB 3.87Å; F489-L507 HydrophobicContact CG-CB 4.18Å; Y490-L507 CarbonylContact O-C 3.59Å; Y490-L507 WeakPolarHBondContact O-CA 3.42Å; T491-L507 HydrophobicContact CG2-CD2 3.68Å
508S96.8Very high95.7Very high1 Ų130.1 Ų30.11%0.00714%0.142CC..EExtended strand (participates in β ladder)trans-125.3135.4175.9-167.80000112F489 Y490 Y510 V535F489-S508 CarbonylContact C-O 3.45Å; F489-S508 WeakPolarHBondContact CA-O 3.38Å; Y490-S508 WeakPolarHBondContact CB-O 3.46Å; Y490-S508 WeakPolarHBondContact CD2-O 3.47Å; Y490-S508 PolarHBondContact N-O 3.44Å; Y490-S508 PolarHBondContact O-N 2.75Å; S508-Y510 WeakPolarHBondContact CB-O 3.35Å; S508-Y510 PolarHBondContact O-N 3.33Å; S508-Y510 PolarHBondContact OG-N 2.92Å; S508-Y510 VanDerWaalsContact OG-N 3.17Å; S508-Y510 PolarHBondContact OG-O 3.49Å; S508-V535 WeakPolarHBondContact OG-CG1 3.46Å
509R95.1Very high95.9Very high80 Ų8033.1 Ų33.130%0.30216%0.159SC..SBendtrans-63.5-26.2167.9-167.9-175.1-63.4-74.4-7.2110.9V422 A459 D460 F489V422-R509 HydrophobicContact CG1-CG 4.08Å; V422-R509 HydrophobicContact CG2-CG 3.7Å; V422-R509 WeakPolarHBondContact CG2-O 3.29Å; A459-R509 PolarHBondContact O-NH2 3.28Å; D460-R509 HydrophobicContact CB-CB 4.44Å; D460-R509 WeakPolarHBondContact O-CB 3.47Å; D460-R509 PolarHBondContact O-N 3.05Å; D460-R509 WeakPolarHBondContact OD1-CD 3.34Å; D460-R509 IonicContact OD1-NE 3.39Å; D460-R509 PolarHBondContact OD1-NE 3.38Å; F489-R509 HydrophobicContact CD1-CB 4.44Å; F489-R509 VanDerWaalsContact CD1-N 3.3Å; F489-R509 HydrophobicContact CE1-CB 4.09Å; F489-R509 HydrophobicContact CZ-CB 4.41Å
510Y95.3Very high96Very high12 Ų1230.3 Ų30.35%0.04715%0.148CC..SBendtrans-105.4155.9-178.1-57-80.3000111.5V422 A425 D460 Y490 S508 I512 N536 I537V422-Y510 HydrophobicContact CB-CD1 4.31Å; V422-Y510 HydrophobicContact CB-CE1 3.94Å; V422-Y510 HydrophobicContact CG1-CD1 4.03Å; V422-Y510 HydrophobicContact CG1-CE1 3.26Å; V422-Y510 HydrophobicContact CG2-CD1 4.5Å; V422-Y510 HydrophobicContact CG2-CE1 4.5Å; A425-Y510 WeakPolarHBondContact CB-OH 3.45Å; D460-Y510 HydrophobicContact CB-CD2 4.44Å; D460-Y510 HydrophobicContact CB-CE2 3.83Å; Y490-Y510 VanDerWaalsContact CD2-O 3.23Å; Y490-Y510 WeakPolarHBondContact CD2-O 3.08Å; S508-Y510 WeakPolarHBondContact CB-O 3.35Å; S508-Y510 PolarHBondContact O-N 3.33Å; S508-Y510 PolarHBondContact OG-N 2.92Å; S508-Y510 VanDerWaalsContact OG-N 3.17Å; S508-Y510 PolarHBondContact OG-O 3.49Å; Y510-I512 PolarHBondContact O-N 2.71Å; Y510-N536 WeakPolarHBondContact CB-O 3.27Å; Y510-I537 HydrophobicContact CD1-CG2 4.37Å; Y510-I537 HydrophobicContact CD2-CD1 4.45Å; Y510-I537 HydrophobicContact CD2-CG1 3.98Å; Y510-I537 HydrophobicContact CD2-CG2 4.21Å; Y510-I537 HydrophobicContact CE1-CG2 4.1Å; Y510-I537 HydrophobicContact CE2-CG1 4.47Å; Y510-I537 HydrophobicContact CE2-CG2 3.94Å; Y510-I537 HydrophobicContact CG-CG1 4.19Å; Y510-I537 HydrophobicContact CG-CG2 4.44Å
511P94.7Very high96.2Very high50 Ų5032.2 Ų32.233%0.32516%0.162SC..  trans-61129.1180-23.433.7000112.9Y490 N536Y490-P511 HydrophobicContact CE1-CG 4.49Å; Y490-P511 HydrophobicContact CE2-CB 4.46Å; Y490-P511 HydrophobicContact CE2-CG 3.94Å; P511-N536 PolarHBondContact O-N 2.82Å
512I96.3Very high96.1Very high13 Ų1332.9 Ų32.97%0.06717%0.166CC..EExtended strand (participates in β ladder)trans-81.3113.7168.6-55.5173.5000107.2D492 Y510 L533 V535D492-I512 HydrophobicContact CB-CD1 3.94Å; Y510-I512 PolarHBondContact O-N 2.71Å; I512-L533 HydrophobicContact CD1-CD2 4.28Å; I512-L533 HydrophobicContact CG2-CD2 3.71Å; I512-V535 HydrophobicContact CG1-CG2 4.35Å
513V96.6Very high96Very high68 Ų6835.2 Ų35.241%0.41218%0.183SC..EExtended strand (participates in β ladder)trans-98.4-26.5-172.8-64.80000113.1T534 N536V513-T534 HydrophobicContact CG2-CG2 3.8Å; V513-T534 WeakPolarHBondContact CG2-O 3.26Å; V513-T534 PolarHBondContact N-O 3.09Å; V513-N536 HydrophobicContact CG1-CB 3.87Å
514K97.4Very high95.6Very high116 Ų11640.4 Ų40.450%0.50421%0.207SC..EExtended strand (participates in β ladder)trans-144.9142176.8-172.4-175.6175.1-169.90108.7L533 T534K514-L533 CarbonylContact O-C 3.56Å; K514-L533 VanDerWaalsContact O-CA 3.29Å; K514-L533 WeakPolarHBondContact O-CA 3.45Å; K514-T534 PolarHBondContact N-O 3.49Å; K514-T534 PolarHBondContact O-N 3.3Å
515S97.5Very high95Very high8 Ų840.3 Ų40.36%0.05621%0.207CC..EExtended strand (participates in β ladder)trans-150.2155.9164.768.70000111.6G226 H227 D492 T532G226-S515 CarbonylContact C-O 3.59Å; G226-S515 VanDerWaalsContact CA-O 3.31Å; G226-S515 WeakPolarHBondContact CA-O 3.25Å; G226-S515 WeakPolarHBondContact CA-OG 3.31Å; H227-S515 PolarHBondContact N-OG 2.88Å; H227-S515 PolarHBondContact O-N 3.18Å; D492-S515 WeakPolarHBondContact OD2-CB 3.26Å; D492-S515 PolarHBondContact OD2-OG 3.38Å; S515-T532 CarbonylContact C-O 3.59Å; S515-T532 WeakPolarHBondContact CA-O 3.44Å
516E97.3Very high94.5Very high98 Ų9840.7 Ų40.746%0.45821%0.209SC..EExtended strand (participates in β ladder)trans-141.9136.2177.1-169.8177.2170.600108.3H518 I531 T532E516-H518 VanDerWaalsContact CD-CE1 3.4Å; E516-H518 PolarHBondContact O-CD2 3.42Å; E516-H518 IonicContact OE1-CE1 3.83Å; E516-H518 PolarHBondContact OE1-CE1 3.42Å; E516-H518 IonicContact OE2-CE1 3.17Å; E516-I531 WeakPolarHBondContact O-CA 3.48Å; E516-T532 WeakPolarHBondContact CB-OG1 3.47Å; E516-T532 PolarHBondContact N-O 3.35Å; E516-T532 PolarHBondContact O-N 2.95Å
517H97.2Very high94.1Very high36 Ų3641 Ų4117%0.16721%0.21CC..EExtended strand (participates in β ladder)trans-107129.4-176.7-54.9159.9000109.2D492 F493 G494 P495 I531D492-H517 IonicContact OD1-CD2 2.96Å; D492-H517 IonicContact OD1-CE1 3.63Å; D492-H517 IonicContact OD1-NE2 3.03Å; D492-H517 PolarHBondContact OD1-NE2 2.92Å; D492-H517 IonicContact OD2-NE2 3.66Å; F493-H517 PolarHBondContact O-CE1 3.43Å; G494-H517 WeakPolarHBondContact CA-CE1 3.32Å; G494-H517 WeakPolarHBondContact CA-NE2 3.3Å; P495-H517 HydrophobicContact CB-CB 4.09Å; P495-H517 HydrophobicContact CG-CB 4.21Å; H517-I531 HydrophobicContact CB-CG2 4.44Å
518H96.9Very high93.9Very high33 Ų3341 Ų4115%0.15321%0.21CC..EExtended strand (participates in β ladder)trans-120.3134.7-173.1-56.1-85.3000109.5E516 A530 T532 L568E516-H518 VanDerWaalsContact CD-CE1 3.4Å; E516-H518 PolarHBondContact O-CD2 3.42Å; E516-H518 IonicContact OE1-CE1 3.83Å; E516-H518 PolarHBondContact OE1-CE1 3.42Å; E516-H518 IonicContact OE2-CE1 3.17Å; H518-A530 HydrophobicContact CB-CB 4.22Å; H518-A530 PolarHBondContact N-O 3.39Å; H518-A530 PolarHBondContact O-N 3.16Å; H518-T532 PolarHBondContact NE2-OG1 3.04Å; H518-T532 VanDerWaalsContact NE2-OG1 3.13Å; H518-L568 HydrophobicContact CB-CD1 4.48Å
519L96.7Very high93.9Very high82 Ų8241 Ų4143%0.42921%0.21SC..EExtended strand (participates in β ladder)trans-96117.7164.1-55.4-179.5000106.9P495 Y499 T501 I527P495-L519 HydrophobicContact CB-CD2 4.14Å; P495-L519 HydrophobicContact CG-CD2 3.89Å; Y499-L519 HydrophobicContact CD1-CD1 4.33Å; Y499-L519 HydrophobicContact CG-CD1 4.2Å; Y499-L519 HydrophobicContact CG-CD2 4.49Å; T501-L519 HydrophobicContact CG2-CD2 3.57Å; L519-I527 HydrophobicContact CB-CG2 4.31Å; L519-I527 HydrophobicContact CD2-CG2 4.11Å
520L96.3Very high94Very high9 Ų937.1 Ų37.15%0.04720%0.196CC..PPolyproline II helixtrans-77.9156-178-57.6-178.7000110.7S522 A528 A530 T547 F549 Q561 A564 V565L520-S522 PolarHBondContact O-N 3.49Å; L520-A528 HydrophobicContact CB-CB 4.11Å; L520-A528 WeakPolarHBondContact CB-O 3.36Å; L520-A528 HydrophobicContact CD1-CB 4.13Å; L520-A528 HydrophobicContact CG-CB 4.48Å; L520-A528 PolarHBondContact N-O 3.44Å; L520-A530 HydrophobicContact CD1-CB 4.14Å; L520-A530 HydrophobicContact CD2-CB 3.81Å; L520-A530 HydrophobicContact CG-CB 4.02Å; L520-T547 VanDerWaalsContact CD1-OG1 3.31Å; L520-T547 WeakPolarHBondContact CD1-OG1 3.33Å; L520-F549 HydrophobicContact CD1-CD1 4.12Å; L520-F549 HydrophobicContact CD1-CE1 4Å; L520-Q561 HydrophobicContact CB-CB 4.38Å; L520-Q561 HydrophobicContact CB-CG 3.74Å; L520-Q561 HydrophobicContact CD1-CB 3.98Å; L520-Q561 HydrophobicContact CD1-CG 4.05Å; L520-A564 HydrophobicContact CD2-CB 4.05Å; L520-V565 HydrophobicContact CD1-CG2 3.73Å; L520-V565 HydrophobicContact CD2-CG2 3.89Å; L520-V565 HydrophobicContact CG-CG2 4.49Å
521P95.5Very high94.1Very high56 Ų5636.6 Ų36.636%0.36419%0.193SC..PPolyproline II helixtrans-59129.6178.7-2232.9000111.5L560 Q561 A564P521-L560 HydrophobicContact CB-CB 3.8Å; P521-L560 HydrophobicContact CB-CD1 4.3Å; P521-L560 HydrophobicContact CG-CB 4.28Å; P521-Q561 WeakPolarHBondContact O-CG 3.4Å; P521-Q561 PolarHBondContact O-NE2 3.01Å; P521-A564 HydrophobicContact CG-CB 4.24Å
522S93Very high94.3Very high14 Ų1435.5 Ų35.510%0.09819%0.186CC..  trans-144.982177.5172.30000109.6R346 L520 E524 G525 E526 D557R346-S522 PolarHBondContact NH2-O 3.37Å; L520-S522 PolarHBondContact O-N 3.49Å; S522-E524 VanDerWaalsContact C-N 3.33Å; S522-G525 PolarHBondContact OG-O 2.97Å; S522-E526 VanDerWaalsContact CB-O 3.28Å; S522-E526 WeakPolarHBondContact CB-O 3.33Å; S522-E526 VanDerWaalsContact OG-C 3.31Å; S522-E526 PolarHBondContact OG-O 2.88Å; S522-D557 WeakPolarHBondContact CA-OD2 3.31Å; S522-D557 VanDerWaalsContact CB-OD2 3.24Å; S522-D557 WeakPolarHBondContact CB-OD2 3.39Å; S522-D557 PolarHBondContact OG-OD2 3.47Å
523P90.4Very high94.4Very high62 Ų6235 Ų3540%0.40318%0.183SC..SBendtrans-62.9-38.8176.921.7-31.6000112.4R346 L556 D557 L560R346-P523 PolarHBondContact NH1-O 3.1Å; P523-L556 HydrophobicContact CG-CD2 3.78Å; P523-L556 HydrophobicContact CG-CG 4Å; P523-D557 WeakPolarHBondContact CD-OD1 3.46Å; P523-D557 VanDerWaalsContact CG-OD1 3.22Å; P523-D557 WeakPolarHBondContact CG-OD1 3.29Å; P523-L560 HydrophobicContact CG-CD1 3.93Å
524E85.9Confident94.4Very high109 Ų10932.8 Ų32.851%0.50917%0.17SC..SBendtrans-118.1-31.7-168.1-62.4-174.7-179.900114.9K337 S522 D557K337-E524 PolarHBondContact NZ-O 2.89Å; S522-E524 VanDerWaalsContact C-N 3.33Å; E524-D557 PolarHBondContact N-OD1 3.44Å; E524-D557 VanDerWaalsContact N-OD1 3.11Å
525G85.1Confident94.4Very high0 Ų027.2 Ų27.20%015%0.146CC..SBendtrans-106.3-151.1-16700000114.2F336 S522 D554 D557F336-G525 WeakPolarHBondContact CZ-O 3.43Å; S522-G525 PolarHBondContact OG-O 2.97Å; G525-D554 WeakPolarHBondContact CA-OD2 3.43Å; G525-D557 WeakPolarHBondContact CA-OD2 3.37Å; G525-D557 PolarHBondContact N-OD2 3.01Å
526E84.8Confident94.3Very high7 Ų729.7 Ų29.73%0.03316%0.158CC..  trans-73.3143.7178.2-170.7-162.8124.300112.9W502 S522 A528W502-E526 PolarHBondContact NE1-OE1 3.46Å; W502-E526 PolarHBondContact NE1-OE2 3.17Å; S522-E526 VanDerWaalsContact CB-O 3.28Å; S522-E526 WeakPolarHBondContact CB-O 3.33Å; S522-E526 VanDerWaalsContact OG-C 3.31Å; S522-E526 PolarHBondContact OG-O 2.88Å; E526-A528 PolarHBondContact O-N 3.37Å
527I90.6Very high94.1Very high7 Ų725.1 Ų25.14%0.03614%0.137CC..  trans-70.791.9172.5-52.7161.4000109.8F336 E347 H500 T501 L519 P529F336-I527 HydrophobicContact CE1-CD1 4.47Å; E347-I527 HydrophobicContact CG-CD1 3.26Å; E347-I527 WeakPolarHBondContact OE1-CD1 3.17Å; H500-I527 HydrophobicContact CB-CD1 3.81Å; T501-I527 HydrophobicContact CG2-CB 4.41Å; T501-I527 HydrophobicContact CG2-CG2 3.89Å; T501-I527 WeakPolarHBondContact CG2-O 3.38Å; L519-I527 HydrophobicContact CB-CG2 4.31Å; L519-I527 HydrophobicContact CD2-CG2 4.11Å; I527-P529 WeakPolarHBondContact O-CD 3.3Å
528A93.3Very high93.7Very high0 Ų026.1 Ų26.10%015%0.148CC..  trans-69.7125.9178.200000112L520 E526 H548 Q561L520-A528 HydrophobicContact CB-CB 4.11Å; L520-A528 WeakPolarHBondContact CB-O 3.36Å; L520-A528 HydrophobicContact CD1-CB 4.13Å; L520-A528 HydrophobicContact CG-CB 4.48Å; L520-A528 PolarHBondContact N-O 3.44Å; E526-A528 PolarHBondContact O-N 3.37Å; A528-H548 WeakPolarHBondContact CB-O 3.49Å; A528-Q561 VanDerWaalsContact CB-CD 3.44Å; A528-Q561 HydrophobicContact CB-CG 4.17Å; A528-Q561 VanDerWaalsContact CB-NE2 3.27Å
529P96.3Very high93.4Very high0 Ų027.3 Ų27.30%017%0.17CC..EExtended strand (participates in β ladder)trans-85.8149.8173.231.1-31.4000112.8P495 T501 I504 I527 T547 H548P495-P529 HydrophobicContact CG-CB 3.72Å; T501-P529 HydrophobicContact CG2-CB 4.09Å; T501-P529 HydrophobicContact CG2-CG 4.49Å; I504-P529 HydrophobicContact CD1-CB 3.86Å; I504-P529 HydrophobicContact CD1-CG 3.85Å; I504-P529 WeakPolarHBondContact CD1-O 3.45Å; I504-P529 HydrophobicContact CG1-CB 4.06Å; I504-P529 HydrophobicContact CG1-CG 3.76Å; I527-P529 WeakPolarHBondContact O-CD 3.3Å; P529-T547 WeakPolarHBondContact O-CA 3.37Å; P529-T547 PolarHBondContact O-OG1 3.45Å; P529-H548 WeakPolarHBondContact CD-O 3.26Å; P529-H548 HydrophobicContact CG-CB 4.18Å; P529-H548 PolarHBondContact O-N 3.36Å; P529-H548 VanDerWaalsContact O-N 3.08Å
530A97.4Very high93.2Very high0 Ų026.3 Ų26.30%016%0.162CC..EExtended strand (participates in β ladder)trans-135150.8158.300000111H518 L520 V546 V565 L568H518-A530 HydrophobicContact CB-CB 4.22Å; H518-A530 PolarHBondContact N-O 3.39Å; H518-A530 PolarHBondContact O-N 3.16Å; L520-A530 HydrophobicContact CD1-CB 4.14Å; L520-A530 HydrophobicContact CD2-CB 3.81Å; L520-A530 HydrophobicContact CG-CB 4.02Å; A530-V546 CarbonylContact C-O 3.56Å; A530-V546 WeakPolarHBondContact CA-O 3.19Å; A530-V546 WeakPolarHBondContact CB-O 3.33Å; A530-V565 HydrophobicContact CB-CG2 4.46Å; A530-L568 HydrophobicContact CB-CD1 4.34Å
531I97.8Very high93.1Very high0 Ų028.4 Ų28.40%018%0.176CC..EExtended strand (participates in β ladder)trans-128.9135.2172.263.1175.8000109.9I504 A506 E516 H517 L533 V546I504-I531 HydrophobicContact CB-CD1 4.19Å; I504-I531 HydrophobicContact CG2-CD1 3.47Å; I504-I531 VanDerWaalsContact CG2-CD1 3.47Å; I504-I531 HydrophobicContact CG2-CG1 3.94Å; A506-I531 HydrophobicContact CB-CD1 4.09Å; E516-I531 WeakPolarHBondContact O-CA 3.48Å; H517-I531 HydrophobicContact CB-CG2 4.44Å; I531-L533 HydrophobicContact CD1-CD1 3.69Å; I531-L533 HydrophobicContact CD1-CD2 4.49Å; I531-L533 HydrophobicContact CD1-CG 4.38Å; I531-L533 HydrophobicContact CG1-CD1 3.88Å; I531-V546 HydrophobicContact CD1-CB 4.36Å; I531-V546 HydrophobicContact CG1-CB 3.71Å; I531-V546 HydrophobicContact CG1-CG2 4.16Å; I531-V546 PolarHBondContact N-O 3.19Å; I531-V546 PolarHBondContact O-N 2.88Å
532T98.1Very high93.2Very high27 Ų2725.8 Ų25.817%0.16616%0.159CC..EExtended strand (participates in β ladder)trans-108.8126.3170.555.90000108.2S515 E516 H518 F544 V545 L568S515-T532 CarbonylContact C-O 3.59Å; S515-T532 WeakPolarHBondContact CA-O 3.44Å; E516-T532 WeakPolarHBondContact CB-OG1 3.47Å; E516-T532 PolarHBondContact N-O 3.35Å; E516-T532 PolarHBondContact O-N 2.95Å; H518-T532 PolarHBondContact NE2-OG1 3.04Å; H518-T532 VanDerWaalsContact NE2-OG1 3.13Å; T532-F544 CarbonylContact C-O 3.38Å; T532-F544 WeakPolarHBondContact CA-O 3.28Å; T532-V545 HydrophobicContact CG2-CG1 4.37Å; T532-V545 HydrophobicContact CG2-CG2 4.09Å; T532-L568 HydrophobicContact CG2-CB 4.15Å; T532-L568 HydrophobicContact CG2-CD1 4.15Å; T532-L568 HydrophobicContact CG2-CD2 4.24Å; T532-L568 HydrophobicContact CG2-CG 4.41Å
533L97.8Very high93.5Very high3 Ų325.8 Ų25.82%0.01616%0.158CC..EExtended strand (participates in β ladder)trans-126.1151.3-178.2-53.5122.4000110.1F461 D492 A506 I512 K514 I531 D543 F544 V546F461-L533 HydrophobicContact CE2-CD1 4.29Å; F461-L533 HydrophobicContact CZ-CD1 3.85Å; D492-L533 HydrophobicContact CB-CD2 3.74Å; A506-L533 HydrophobicContact CB-CD1 3.99Å; A506-L533 HydrophobicContact CB-CD2 4.24Å; I512-L533 HydrophobicContact CD1-CD2 4.28Å; I512-L533 HydrophobicContact CG2-CD2 3.71Å; K514-L533 CarbonylContact O-C 3.56Å; K514-L533 VanDerWaalsContact O-CA 3.29Å; K514-L533 WeakPolarHBondContact O-CA 3.45Å; I531-L533 HydrophobicContact CD1-CD1 3.69Å; I531-L533 HydrophobicContact CD1-CD2 4.49Å; I531-L533 HydrophobicContact CD1-CG 4.38Å; I531-L533 HydrophobicContact CG1-CD1 3.88Å; L533-D543 CarbonylContact O-C 3.59Å; L533-D543 WeakPolarHBondContact O-CA 3.35Å; L533-F544 HydrophobicContact CB-CB 4.33Å; L533-F544 HydrophobicContact CD1-CB 4.15Å; L533-F544 PolarHBondContact N-O 2.78Å; L533-F544 PolarHBondContact O-N 3.5Å; L533-V546 HydrophobicContact CD1-CG2 4.34Å
534T98.1Very high93.8Very high21 Ų2122.9 Ų22.913%0.12914%0.139CC..EExtended strand (participates in β ladder)trans-116.9124.5162.7-56.30000107.8V513 K514 P541 D543V513-T534 HydrophobicContact CG2-CG2 3.8Å; V513-T534 WeakPolarHBondContact CG2-O 3.26Å; V513-T534 PolarHBondContact N-O 3.09Å; K514-T534 PolarHBondContact N-O 3.49Å; K514-T534 PolarHBondContact O-N 3.3Å; T534-P541 HydrophobicContact CG2-CB 3.68Å; T534-D543 WeakPolarHBondContact CB-OD1 3.34Å; T534-D543 WeakPolarHBondContact CG2-OD1 3.32Å; T534-D543 PolarHBondContact OG1-OD1 3.49Å
535V96.9Very high94.4Very high0 Ų017.8 Ų17.80%012%0.115CC..EExtended strand (participates in β ladder)trans-112.9132.5-179.1-179.90000109.1F461 S508 I512 I537 P541 V542 F544F461-V535 HydrophobicContact CD2-CG2 4.1Å; F461-V535 HydrophobicContact CE2-CG2 4.01Å; S508-V535 WeakPolarHBondContact OG-CG1 3.46Å; I512-V535 HydrophobicContact CG1-CG2 4.35Å; V535-I537 HydrophobicContact CG1-CG1 3.96Å; V535-I537 PolarHBondContact O-N 3.06Å; V535-P541 WeakPolarHBondContact O-CA 3.33Å; V535-V542 PolarHBondContact N-O 3.35Å; V535-V542 PolarHBondContact O-N 3.03Å; V535-F544 HydrophobicContact CB-CD2 4.16Å; V535-F544 HydrophobicContact CB-CE2 3.87Å; V535-F544 HydrophobicContact CG2-CD2 3.68Å; V535-F544 HydrophobicContact CG2-CE2 3.78Å
536N94.9Very high95.1Very high60 Ų6017.8 Ų17.832%0.32112%0.115SC..EExtended strand (participates in β ladder)trans-88.295.5178.7-178.26.5000111.3Y510 P511 V513 S538 G539Y510-N536 WeakPolarHBondContact CB-O 3.27Å; P511-N536 PolarHBondContact O-N 2.82Å; V513-N536 HydrophobicContact CG1-CB 3.87Å; N536-S538 PolarHBondContact O-N 2.87Å; N536-G539 WeakPolarHBondContact OD1-CA 3.37Å; N536-G539 PolarHBondContact OD1-N 3.41Å
537I93.9Very high95.7Very high1 Ų117.5 Ų17.51%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-93.396.6-179.8-52.3-176.2000108.9V428 Y510 V535 G539 K540 V542 F544 I645V428-I537 HydrophobicContact CB-CD1 3.77Å; V428-I537 HydrophobicContact CG1-CD1 4.18Å; V428-I537 HydrophobicContact CG2-CD1 3.51Å; Y510-I537 HydrophobicContact CD1-CG2 4.37Å; Y510-I537 HydrophobicContact CD2-CD1 4.45Å; Y510-I537 HydrophobicContact CD2-CG1 3.98Å; Y510-I537 HydrophobicContact CD2-CG2 4.21Å; Y510-I537 HydrophobicContact CE1-CG2 4.1Å; Y510-I537 HydrophobicContact CE2-CG1 4.47Å; Y510-I537 HydrophobicContact CE2-CG2 3.94Å; Y510-I537 HydrophobicContact CG-CG1 4.19Å; Y510-I537 HydrophobicContact CG-CG2 4.44Å; V535-I537 HydrophobicContact CG1-CG1 3.96Å; V535-I537 PolarHBondContact O-N 3.06Å; I537-G539 VanDerWaalsContact C-N 3.28Å; I537-G539 PolarHBondContact O-N 3.42Å; I537-K540 PolarHBondContact N-O 3.2Å; I537-K540 PolarHBondContact O-N 3.38Å; I537-V542 HydrophobicContact CD1-CB 3.99Å; I537-V542 HydrophobicContact CD1-CG2 3.89Å; I537-V542 HydrophobicContact CG1-CG2 4.34Å; I537-F544 HydrophobicContact CD1-CE2 4.49Å; I537-I645 HydrophobicContact CB-CD1 3.89Å; I537-I645 HydrophobicContact CD1-CD1 4.26Å; I537-I645 HydrophobicContact CG2-CD1 3.76Å
538S88.6Confident95.9Very high57 Ų5717.3 Ų17.340%0.39911%0.113SC..THydrogen-bonded Turntrans54.739.7177.3-51.80000114.1P424 A425 N536P424-S538 WeakPolarHBondContact CA-OG 3.2Å; A425-S538 PolarHBondContact N-OG 2.9Å; A425-S538 PolarHBondContact O-OG 3.22Å; N536-S538 PolarHBondContact O-N 2.87Å
539G89.6Confident95.9Very high59 Ų5917.4 Ų17.461%0.60811%0.113SC*.THydrogen-bonded Turntrans90.3-5.3-17900000114.4N536 I537N536-G539 WeakPolarHBondContact OD1-CA 3.37Å; N536-G539 PolarHBondContact OD1-N 3.41Å; I537-G539 VanDerWaalsContact C-N 3.28Å; I537-G539 PolarHBondContact O-N 3.42Å
540K92.3Very high95.4Very high60 Ų6017.4 Ų17.426%0.26111%0.114SC..EExtended strand (participates in β ladder)trans-105.1118.1176.4-61.3-172.2-178.7-1770109.8I537 V542 I645 P646 D647I537-K540 PolarHBondContact N-O 3.2Å; I537-K540 PolarHBondContact O-N 3.38Å; K540-V542 PolarHBondContact O-N 3.13Å; K540-I645 HydrophobicContact CB-CG2 4.33Å; K540-I645 HydrophobicContact CD-CB 4.27Å; K540-I645 HydrophobicContact CD-CG2 3.49Å; K540-I645 VanDerWaalsContact CD-CG2 3.49Å; K540-P646 PolarHBondContact NZ-O 3.05Å; K540-D647 IonicContact NZ-OD1 3.48Å; K540-D647 PolarHBondContact NZ-OD1 3.4Å
541P95.2Very high94.8Very high54 Ų5418.8 Ų18.835%0.35112%0.121SC..EExtended strand (participates in β ladder)trans-70.7127.8174.629-32.5000110T534 V535T534-P541 HydrophobicContact CG2-CB 3.68Å; V535-P541 WeakPolarHBondContact O-CA 3.33Å
542V97.3Very high94.1Very high0 Ų023.1 Ų23.10%014%0.141CC..EExtended strand (participates in β ladder)trans-121.5128.6171.5179.90000107.9V535 I537 K540 F544 I577 I645V535-V542 PolarHBondContact N-O 3.35Å; V535-V542 PolarHBondContact O-N 3.03Å; I537-V542 HydrophobicContact CD1-CB 3.99Å; I537-V542 HydrophobicContact CD1-CG2 3.89Å; I537-V542 HydrophobicContact CG1-CG2 4.34Å; K540-V542 PolarHBondContact O-N 3.13Å; V542-F544 HydrophobicContact CB-CE2 4.15Å; V542-F544 HydrophobicContact CG1-CD2 4.43Å; V542-F544 HydrophobicContact CG1-CE2 3.85Å; V542-F544 HydrophobicContact CG1-CZ 4.27Å; V542-I577 HydrophobicContact CG1-CD1 4.32Å; V542-I577 HydrophobicContact CG1-CG1 4.41Å; V542-I645 HydrophobicContact CG2-CD1 3.72Å; V542-I645 HydrophobicContact CG2-CG1 4.22Å
543D98.2Very high93.5Very high14 Ų1428.7 Ų28.78%0.07517%0.165CC..EExtended strand (participates in β ladder)trans-85.1143.1177.6-67-15.3000110.3L533 T534 S572 N574 Q575 V576 I577L533-D543 CarbonylContact O-C 3.59Å; L533-D543 WeakPolarHBondContact O-CA 3.35Å; T534-D543 WeakPolarHBondContact CB-OD1 3.34Å; T534-D543 WeakPolarHBondContact CG2-OD1 3.32Å; T534-D543 PolarHBondContact OG1-OD1 3.49Å; D543-S572 VanDerWaalsContact CB-OG 3.29Å; D543-S572 WeakPolarHBondContact CB-OG 3.38Å; D543-S572 WeakPolarHBondContact OD2-CB 3.3Å; D543-S572 PolarHBondContact OD2-OG 3.12Å; D543-N574 HydrophobicContact CB-CB 4.5Å; D543-N574 PolarHBondContact OD1-ND2 2.99Å; D543-N574 PolarHBondContact OD2-ND2 3.09Å; D543-Q575 PolarHBondContact N-O 3.43Å; D543-V576 HydrophobicContact CB-CB 4.27Å; D543-V576 HydrophobicContact CB-CG2 4.28Å; D543-V576 CarbonylContact O-C 3.52Å; D543-V576 VanDerWaalsContact O-CA 3.26Å; D543-V576 WeakPolarHBondContact O-CA 3.2Å; D543-I577 PolarHBondContact O-N 3.39Å
544F98.5Very high93.1Very high1 Ų129 Ų290%0.00417%0.167CC..EExtended strand (participates in β ladder)trans-122.5133.3172.6-69.3-101.4000108.4V428 A430 F461 T532 L533 V535 I537 V542 I577 L579V428-F544 HydrophobicContact CG2-CZ 4.42Å; A430-F544 HydrophobicContact CB-CE1 4.21Å; F461-F544 HydrophobicContact CB-CE1 3.76Å; F461-F544 HydrophobicContact CB-CZ 3.9Å; F461-F544 AromaticContact CD1-CD1 3.56Å; F461-F544 HydrophobicContact CD1-CD1 3.56Å; F461-F544 AromaticContact CD1-CE1 3.54Å; F461-F544 HydrophobicContact CD1-CE1 3.54Å; F461-F544 HydrophobicContact CD1-CG 4.4Å; F461-F544 HydrophobicContact CD1-CZ 4.37Å; F461-F544 HydrophobicContact CD2-CD1 4.01Å; F461-F544 HydrophobicContact CD2-CD2 4.23Å; F461-F544 AromaticContact CD2-CE1 3.87Å; F461-F544 HydrophobicContact CD2-CE1 3.87Å; F461-F544 HydrophobicContact CD2-CE2 4.12Å; F461-F544 HydrophobicContact CD2-CG 4.18Å; F461-F544 AromaticContact CD2-CZ 3.93Å; F461-F544 HydrophobicContact CD2-CZ 3.93Å; F461-F544 HydrophobicContact CE1-CB 4.43Å; F461-F544 AromaticContact CE1-CD1 3.59Å; F461-F544 HydrophobicContact CE1-CD1 3.59Å; F461-F544 HydrophobicContact CE1-CE1 4.08Å; F461-F544 HydrophobicContact CE1-CG 4.14Å; F461-F544 HydrophobicContact CE2-CB 4.34Å; F461-F544 HydrophobicContact CE2-CD1 4.03Å; F461-F544 HydrophobicContact CE2-CD2 4.16Å; F461-F544 HydrophobicContact CE2-CE1 4.37Å; F461-F544 AromaticContact CE2-CG 3.91Å; F461-F544 HydrophobicContact CE2-CG 3.91Å; F461-F544 AromaticContact CG-CD1 3.78Å; F461-F544 HydrophobicContact CG-CD1 3.78Å; F461-F544 AromaticContact CG-CE1 3.43Å; F461-F544 HydrophobicContact CG-CE1 3.43Å; F461-F544 VanDerWaalsContact CG-CE1 3.43Å; F461-F544 HydrophobicContact CG-CE2 4.45Å; F461-F544 HydrophobicContact CG-CG 4.42Å; F461-F544 AromaticContact CG-CZ 3.8Å; F461-F544 HydrophobicContact CG-CZ 3.8Å; F461-F544 HydrophobicContact CZ-CB 4.01Å; F461-F544 AromaticContact CZ-CD1 3.83Å; F461-F544 HydrophobicContact CZ-CD1 3.83Å; F461-F544 HydrophobicContact CZ-CE1 4.46Å; F461-F544 AromaticContact CZ-CG 3.89Å; F461-F544 HydrophobicContact CZ-CG 3.89Å; T532-F544 CarbonylContact C-O 3.38Å; T532-F544 WeakPolarHBondContact CA-O 3.28Å; L533-F544 HydrophobicContact CB-CB 4.33Å; L533-F544 HydrophobicContact CD1-CB 4.15Å; L533-F544 PolarHBondContact N-O 2.78Å; L533-F544 PolarHBondContact O-N 3.5Å; V535-F544 HydrophobicContact CB-CD2 4.16Å; V535-F544 HydrophobicContact CB-CE2 3.87Å; V535-F544 HydrophobicContact CG2-CD2 3.68Å; V535-F544 HydrophobicContact CG2-CE2 3.78Å; I537-F544 HydrophobicContact CD1-CE2 4.49Å; V542-F544 HydrophobicContact CB-CE2 4.15Å; V542-F544 HydrophobicContact CG1-CD2 4.43Å; V542-F544 HydrophobicContact CG1-CE2 3.85Å; V542-F544 HydrophobicContact CG1-CZ 4.27Å; F544-I577 CarbonylContact C-O 3.56Å; F544-I577 VanDerWaalsContact CA-O 3.27Å; F544-I577 WeakPolarHBondContact CA-O 3.27Å; F544-I577 HydrophobicContact CD1-CB 3.93Å; F544-I577 HydrophobicContact CD1-CG2 4.3Å; F544-I577 HydrophobicContact CE1-CB 3.93Å; F544-I577 HydrophobicContact CE1-CD1 3.75Å; F544-I577 HydrophobicContact CE1-CG1 4.35Å; F544-I577 HydrophobicContact CE1-CG2 4.24Å; F544-I577 HydrophobicContact CZ-CD1 3.89Å; F544-L579 HydrophobicContact CD1-CD1 4.06Å
545V98.5Very high92.8Very high3 Ų331.5 Ų31.52%0.01818%0.179CC..EExtended strand (participates in β ladder)trans-118.8118170.3-179.10000107.3T532 V565 L568 L569 V576 I577 F578 L579T532-V545 HydrophobicContact CG2-CG1 4.37Å; T532-V545 HydrophobicContact CG2-CG2 4.09Å; V545-V565 HydrophobicContact CG1-CG1 4.2Å; V545-L568 HydrophobicContact CG1-CB 4.45Å; V545-L569 HydrophobicContact CB-CD2 3.71Å; V545-L569 HydrophobicContact CG1-CD2 4.08Å; V545-L569 HydrophobicContact CG1-CG 4.38Å; V545-L569 HydrophobicContact CG2-CD2 3.76Å; V545-V576 HydrophobicContact CG2-CG2 3.93Å; V545-I577 PolarHBondContact N-O 3.06Å; V545-F578 HydrophobicContact CB-CD2 4.11Å; V545-F578 HydrophobicContact CG1-CD2 4.04Å; V545-F578 HydrophobicContact CG1-CE2 4.4Å; V545-F578 CarbonylContact O-C 3.35Å; V545-F578 VanDerWaalsContact O-CA 3.29Å; V545-F578 WeakPolarHBondContact O-CA 3.34Å; V545-F578 VanDerWaalsContact O-CD2 3.28Å; V545-F578 WeakPolarHBondContact O-CD2 3.46Å; V545-L579 PolarHBondContact O-N 2.96Å
546V98.3Very high92.7Very high0 Ų035 Ų350%020%0.198CC..EExtended strand (participates in β ladder)trans-118.2140.4-178.7-174.90000109.8F461 T463 L465 I504 A530 I531 L533 L579F461-V546 HydrophobicContact CE1-CG2 4.36Å; F461-V546 HydrophobicContact CZ-CG2 4.46Å; T463-V546 HydrophobicContact CG2-CG1 3.8Å; T463-V546 HydrophobicContact CG2-CG2 4.28Å; T463-V546 VanDerWaalsContact OG1-CG1 3.23Å; T463-V546 WeakPolarHBondContact OG1-CG1 3.39Å; L465-V546 HydrophobicContact CD2-CG1 3.86Å; I504-V546 HydrophobicContact CD1-CG1 4.2Å; I504-V546 HydrophobicContact CG2-CB 4.35Å; I504-V546 HydrophobicContact CG2-CG1 3.69Å; A530-V546 CarbonylContact C-O 3.56Å; A530-V546 WeakPolarHBondContact CA-O 3.19Å; A530-V546 WeakPolarHBondContact CB-O 3.33Å; I531-V546 HydrophobicContact CD1-CB 4.36Å; I531-V546 HydrophobicContact CG1-CB 3.71Å; I531-V546 HydrophobicContact CG1-CG2 4.16Å; I531-V546 PolarHBondContact N-O 3.19Å; I531-V546 PolarHBondContact O-N 2.88Å; L533-V546 HydrophobicContact CD1-CG2 4.34Å; V546-L579 VanDerWaalsContact CA-O 3.22Å; V546-L579 WeakPolarHBondContact CA-O 3.36Å; V546-L579 WeakPolarHBondContact CG1-O 3.28Å; V546-L579 HydrophobicContact CG2-CB 4.32Å; V546-L579 HydrophobicContact CG2-CD1 4.41Å
547T97.2Very high92.6Very high0 Ų032.1 Ų32.10%018%0.182CC..EExtended strand (participates in β ladder)trans-148.1152.2178.2-165.40000112.9L520 P529 F549 V565 F578 L579 G580 Y581 I582L520-T547 VanDerWaalsContact CD1-OG1 3.31Å; L520-T547 WeakPolarHBondContact CD1-OG1 3.33Å; P529-T547 WeakPolarHBondContact O-CA 3.37Å; P529-T547 PolarHBondContact O-OG1 3.45Å; T547-F549 HydrophobicContact CG2-CD1 3.9Å; T547-F549 HydrophobicContact CG2-CE1 3.61Å; T547-F549 HydrophobicContact CG2-CZ 4.49Å; T547-F549 WeakPolarHBondContact OG1-CD1 3.11Å; T547-F549 WeakPolarHBondContact OG1-CE1 3.43Å; T547-V565 HydrophobicContact CG2-CG2 4.41Å; T547-F578 HydrophobicContact CG2-CE2 3.62Å; T547-F578 HydrophobicContact CG2-CZ 3.6Å; T547-L579 PolarHBondContact N-O 3.05Å; T547-G580 WeakPolarHBondContact O-CA 3.33Å; T547-Y581 PolarHBondContact O-N 3.07Å; T547-I582 HydrophobicContact CG2-CG2 4.35Å
548H95.5Very high92.7Very high4 Ų432.9 Ų32.92%0.01919%0.185CC..EExtended strand (participates in β ladder)trans-125.6107.5166.2-176.1-103.5000108.2L465 E466 A528 P529 Y581L465-H548 HydrophobicContact CB-CB 4.47Å; L465-H548 HydrophobicContact CD1-CB 4.12Å; L465-H548 HydrophobicContact CD2-CB 4.4Å; E466-H548 IonicContact OE1-CE1 2.97Å; E466-H548 IonicContact OE1-NE2 2.8Å; A528-H548 WeakPolarHBondContact CB-O 3.49Å; P529-H548 WeakPolarHBondContact CD-O 3.26Å; P529-H548 HydrophobicContact CG-CB 4.18Å; P529-H548 PolarHBondContact O-N 3.36Å; P529-H548 VanDerWaalsContact O-N 3.08Å; H548-Y581 AromaticContact CD2-CD1 3.84Å; H548-Y581 AromaticContact CD2-CG 3.8Å; H548-Y581 AromaticContact NE2-CD1 3.85Å
549F93.8Very high93Very high1 Ų134.7 Ų34.70%0.00419%0.186CC..  trans-73.4159.5178.2-76.310.2000111.2L520 T547 Q561 A562 V565 Y581 I582L520-F549 HydrophobicContact CD1-CD1 4.12Å; L520-F549 HydrophobicContact CD1-CE1 4Å; T547-F549 HydrophobicContact CG2-CD1 3.9Å; T547-F549 HydrophobicContact CG2-CE1 3.61Å; T547-F549 HydrophobicContact CG2-CZ 4.49Å; T547-F549 WeakPolarHBondContact OG1-CD1 3.11Å; T547-F549 WeakPolarHBondContact OG1-CE1 3.43Å; F549-Q561 VanDerWaalsContact CA-OE1 3.31Å; F549-Q561 VanDerWaalsContact CB-OE1 3.31Å; F549-Q561 HydrophobicContact CD1-CB 3.95Å; F549-Q561 HydrophobicContact CD2-CB 4.31Å; F549-Q561 HydrophobicContact CE1-CB 3.86Å; F549-Q561 HydrophobicContact CE2-CB 4.23Å; F549-Q561 HydrophobicContact CG-CB 4.2Å; F549-Q561 HydrophobicContact CZ-CB 4.02Å; F549-A562 HydrophobicContact CE2-CB 3.98Å; F549-A562 HydrophobicContact CZ-CB 4.18Å; F549-V565 HydrophobicContact CE1-CB 4.45Å; F549-V565 HydrophobicContact CE1-CG2 3.83Å; F549-V565 HydrophobicContact CZ-CB 4.5Å; F549-V565 HydrophobicContact CZ-CG2 4.33Å; F549-Y581 WeakPolarHBondContact CB-O 3.39Å; F549-Y581 PolarHBondContact N-O 3.2Å; F549-I582 HydrophobicContact CD2-CB 3.71Å; F549-I582 HydrophobicContact CD2-CG2 4.13Å; F549-I582 HydrophobicContact CE1-CG2 4.4Å; F549-I582 HydrophobicContact CE2-CB 3.81Å; F549-I582 HydrophobicContact CE2-CG2 3.96Å; F549-I582 HydrophobicContact CG-CB 4.27Å; F549-I582 HydrophobicContact CG-CG2 4.41Å; F549-I582 HydrophobicContact CZ-CB 4.44Å; F549-I582 HydrophobicContact CZ-CG2 4.08Å
550G85.4Confident93.4Very high1 Ų134.7 Ų34.71%0.0117%0.172CC..  trans-65.8175.9171.200000112.6T583G550-T583 PolarHBondContact O-OG1 3.22Å; G550-T583 VanDerWaalsContact O-OG1 3.06Å
551N84.5Confident93.6Very high29 Ų2931.9 Ų31.916%0.15516%0.159CC..  trans-64.4167.2-175.7-68.9-12.2000113.8F338 E553F338-N551 VanDerWaalsContact CE1-ND2 3.26Å; F338-N551 WeakPolarHBondContact CE1-ND2 3.3Å; F338-N551 WeakPolarHBondContact CZ-ND2 3.45Å; N551-E553 VanDerWaalsContact C-N 3.25Å; N551-E553 WeakPolarHBondContact CB-OE2 3.37Å; N551-E553 PolarHBondContact O-N 3.42Å
552H83.3Confident93.7Very high91 Ų9129.3 Ų29.342%0.42114%0.142SC..THydrogen-bonded Turntrans-67-28-173.7-178.385.8000113.3D554 R558 W611H552-D554 VanDerWaalsContact C-N 3.34Å; H552-D554 PolarHBondContact O-N 3.35Å; H552-R558 PolarHBondContact CE1-NH1 3.04Å; H552-R558 VanDerWaalsContact CE1-NH1 3.33Å; H552-R558 PolarHBondContact ND1-NH1 3.37Å; H552-R558 VanDerWaalsContact O-CZ 3.31Å; H552-R558 PolarHBondContact O-NH1 3.35Å; H552-R558 PolarHBondContact O-NH2 3.06Å; H552-W611 AromaticContact CE1-CH2 3.84Å; H552-W611 AromaticContact CE1-CZ2 3.66Å; H552-W611 AromaticContact ND1-CZ2 3.42Å; H552-W611 WeakPolarHBondContact ND1-CZ2 3.28Å
553E85.3Confident93.8Very high144 Ų14431.6 Ų31.667%0.67315%0.154SC*.THydrogen-bonded Turntrans-70.8-27.8-174.3-6374.8-164.300112.8N551 D555N551-E553 VanDerWaalsContact C-N 3.25Å; N551-E553 WeakPolarHBondContact CB-OE2 3.37Å; N551-E553 PolarHBondContact O-N 3.42Å; E553-D555 PolarHBondContact O-N 2.89Å
554D89.2Confident93.8Very high10 Ų1032 Ų325%0.05316%0.16CC..  trans-9570.5-176-62.2-52.5000111K337 G525 H552 L556 D557 R558K337-D554 WeakPolarHBondContact CE-OD1 3.37Å; K337-D554 WeakPolarHBondContact CE-OD2 3.44Å; K337-D554 IonicContact NZ-OD1 2.79Å; K337-D554 PolarHBondContact NZ-OD1 2.97Å; K337-D554 IonicContact NZ-OD2 3.74Å; G525-D554 WeakPolarHBondContact CA-OD2 3.43Å; H552-D554 VanDerWaalsContact C-N 3.34Å; H552-D554 PolarHBondContact O-N 3.35Å; D554-L556 VanDerWaalsContact C-N 3.32Å; D554-L556 PolarHBondContact O-N 2.9Å; D554-D557 HydrophobicContact CB-CB 3.97Å; D554-D557 WeakPolarHBondContact O-CB 3.5Å; D554-D557 PolarHBondContact O-N 2.8Å; D554-D557 VanDerWaalsContact O-N 3.12Å; D554-R558 PolarHBondContact O-N 3.45Å
555D92.5Very high93.8Very high72 Ų7232 Ų3239%0.38516%0.16SC..Hα-helixtrans-58.9-37.7-173.1-17661.3000114.2E553 D557 R558 K559 R589E553-D555 PolarHBondContact O-N 2.89Å; D555-D557 VanDerWaalsContact C-N 3.33Å; D555-R558 PolarHBondContact O-N 2.88Å; D555-R558 IonicContact OD1-CZ 3.43Å; D555-R558 IonicContact OD1-NE 3.11Å; D555-R558 IonicContact OD1-NH2 3.09Å; D555-R558 PolarHBondContact OD1-NH2 3.11Å; D555-K559 PolarHBondContact O-N 3.26Å; D555-R589 PolarHBondContact O-NH2 3.4Å; D555-R589 IonicContact OD1-CZ 3.93Å; D555-R589 IonicContact OD1-NH1 3.18Å; D555-R589 PolarHBondContact OD1-NH1 3.19Å; D555-R589 IonicContact OD1-NH2 3.66Å; D555-R589 PolarHBondContact OD1-NH2 3.41Å; D555-R589 IonicContact OD2-CZ 2.64Å; D555-R589 IonicContact OD2-NH1 2.78Å; D555-R589 PolarHBondContact OD2-NH1 2.94Å; D555-R589 IonicContact OD2-NH2 3.82Å
556L94.2Very high93.7Very high74 Ų7432 Ų3239%0.38716%0.16SC..Hα-helixtrans-63-42.4177.817760000111.2P523 D554 K559 L560P523-L556 HydrophobicContact CG-CD2 3.78Å; P523-L556 HydrophobicContact CG-CG 4Å; D554-L556 VanDerWaalsContact C-N 3.32Å; D554-L556 PolarHBondContact O-N 2.9Å; L556-K559 WeakPolarHBondContact O-CB 3.48Å; L556-K559 PolarHBondContact O-N 2.9Å; L556-L560 HydrophobicContact CD1-CD1 4.09Å; L556-L560 HydrophobicContact CD1-CG 4.2Å; L556-L560 HydrophobicContact CG-CD1 4.11Å; L556-L560 WeakPolarHBondContact O-CG 3.48Å; L556-L560 PolarHBondContact O-N 2.88Å
557D94.3Very high93.7Very high0 Ų038.7 Ų38.70%019%0.189CC..Hα-helixtrans-60.9-52.2178.5-74.730.4000109.7S522 P523 E524 G525 D554 D555 K559 L560 Q561S522-D557 WeakPolarHBondContact CA-OD2 3.31Å; S522-D557 VanDerWaalsContact CB-OD2 3.24Å; S522-D557 WeakPolarHBondContact CB-OD2 3.39Å; S522-D557 PolarHBondContact OG-OD2 3.47Å; P523-D557 WeakPolarHBondContact CD-OD1 3.46Å; P523-D557 VanDerWaalsContact CG-OD1 3.22Å; P523-D557 WeakPolarHBondContact CG-OD1 3.29Å; E524-D557 PolarHBondContact N-OD1 3.44Å; E524-D557 VanDerWaalsContact N-OD1 3.11Å; G525-D557 WeakPolarHBondContact CA-OD2 3.37Å; G525-D557 PolarHBondContact N-OD2 3.01Å; D554-D557 HydrophobicContact CB-CB 3.97Å; D554-D557 WeakPolarHBondContact O-CB 3.5Å; D554-D557 PolarHBondContact O-N 2.8Å; D554-D557 VanDerWaalsContact O-N 3.12Å; D555-D557 VanDerWaalsContact C-N 3.33Å; D557-K559 VanDerWaalsContact C-N 3.3Å; D557-K559 PolarHBondContact O-N 3.42Å; D557-L560 PolarHBondContact O-N 2.99Å; D557-L560 VanDerWaalsContact O-N 3.08Å; D557-Q561 WeakPolarHBondContact O-CB 3.43Å; D557-Q561 WeakPolarHBondContact O-CG 3.43Å; D557-Q561 PolarHBondContact O-N 3.18Å
558R94.2Very high93.8Very high17 Ų1740.1 Ų40.16%0.06420%0.196CC..Hα-helixtrans-57.1-41.9178-63.1-169.2-49.6-137.8-16.7113.1H552 D554 D555 L560 Q561 A562 T583 D590H552-R558 PolarHBondContact CE1-NH1 3.04Å; H552-R558 VanDerWaalsContact CE1-NH1 3.33Å; H552-R558 PolarHBondContact ND1-NH1 3.37Å; H552-R558 VanDerWaalsContact O-CZ 3.31Å; H552-R558 PolarHBondContact O-NH1 3.35Å; H552-R558 PolarHBondContact O-NH2 3.06Å; D554-R558 PolarHBondContact O-N 3.45Å; D555-R558 PolarHBondContact O-N 2.88Å; D555-R558 IonicContact OD1-CZ 3.43Å; D555-R558 IonicContact OD1-NE 3.11Å; D555-R558 IonicContact OD1-NH2 3.09Å; D555-R558 PolarHBondContact OD1-NH2 3.11Å; R558-L560 VanDerWaalsContact C-N 3.35Å; R558-L560 PolarHBondContact O-N 3.46Å; R558-Q561 PolarHBondContact O-N 3.06Å; R558-A562 WeakPolarHBondContact O-CB 3.39Å; R558-A562 PolarHBondContact O-N 2.88Å; R558-T583 VanDerWaalsContact CD-OG1 3.25Å; R558-T583 WeakPolarHBondContact CD-OG1 3.38Å; R558-D590 WeakPolarHBondContact CB-OD2 3.27Å; R558-D590 IonicContact NE-OD2 3.7Å
559K95.8Very high93.9Very high95 Ų9539.9 Ų39.941%0.41320%0.196SC..Hα-helixtrans-57.3-48.8175.7-176.3-178.1174.6-178.10111.3D555 L556 D557 I563D555-K559 PolarHBondContact O-N 3.26Å; L556-K559 WeakPolarHBondContact O-CB 3.48Å; L556-K559 PolarHBondContact O-N 2.9Å; D557-K559 VanDerWaalsContact C-N 3.3Å; D557-K559 PolarHBondContact O-N 3.42Å; K559-I563 HydrophobicContact CG-CD1 4.22Å; K559-I563 VanDerWaalsContact O-CG1 3.28Å; K559-I563 WeakPolarHBondContact O-CG1 3.32Å; K559-I563 PolarHBondContact O-N 3.43Å; K559-I563 VanDerWaalsContact O-N 3.07Å
560L97.4Very high94Very high59 Ų5946.9 Ų46.931%0.30923%0.226SC..Hα-helixtrans-70.2-36.1-178.4-65.1173.1000111.7P521 P523 L556 D557 R558 I563 A564P521-L560 HydrophobicContact CB-CB 3.8Å; P521-L560 HydrophobicContact CB-CD1 4.3Å; P521-L560 HydrophobicContact CG-CB 4.28Å; P523-L560 HydrophobicContact CG-CD1 3.93Å; L556-L560 HydrophobicContact CD1-CD1 4.09Å; L556-L560 HydrophobicContact CD1-CG 4.2Å; L556-L560 HydrophobicContact CG-CD1 4.11Å; L556-L560 WeakPolarHBondContact O-CG 3.48Å; L556-L560 PolarHBondContact O-N 2.88Å; D557-L560 PolarHBondContact O-N 2.99Å; D557-L560 VanDerWaalsContact O-N 3.08Å; R558-L560 VanDerWaalsContact C-N 3.35Å; R558-L560 PolarHBondContact O-N 3.46Å; L560-I563 PolarHBondContact O-N 2.68Å; L560-A564 WeakPolarHBondContact O-CB 3.47Å; L560-A564 PolarHBondContact O-N 3.24Å
561Q97.3Very high94.5Very high0 Ų051.1 Ų51.10%026%0.255CS..Hα-helixtrans-62.7-47173.9-69.3168.512.200111.1L520 P521 A528 F549 D557 R558 I563 A564 V565L520-Q561 HydrophobicContact CB-CB 4.38Å; L520-Q561 HydrophobicContact CB-CG 3.74Å; L520-Q561 HydrophobicContact CD1-CB 3.98Å; L520-Q561 HydrophobicContact CD1-CG 4.05Å; P521-Q561 WeakPolarHBondContact O-CG 3.4Å; P521-Q561 PolarHBondContact O-NE2 3.01Å; A528-Q561 VanDerWaalsContact CB-CD 3.44Å; A528-Q561 HydrophobicContact CB-CG 4.17Å; A528-Q561 VanDerWaalsContact CB-NE2 3.27Å; F549-Q561 VanDerWaalsContact CA-OE1 3.31Å; F549-Q561 VanDerWaalsContact CB-OE1 3.31Å; F549-Q561 HydrophobicContact CD1-CB 3.95Å; F549-Q561 HydrophobicContact CD2-CB 4.31Å; F549-Q561 HydrophobicContact CE1-CB 3.86Å; F549-Q561 HydrophobicContact CE2-CB 4.23Å; F549-Q561 HydrophobicContact CG-CB 4.2Å; F549-Q561 HydrophobicContact CZ-CB 4.02Å; D557-Q561 WeakPolarHBondContact O-CB 3.43Å; D557-Q561 WeakPolarHBondContact O-CG 3.43Å; D557-Q561 PolarHBondContact O-N 3.18Å; R558-Q561 PolarHBondContact O-N 3.06Å; Q561-I563 VanDerWaalsContact C-N 3.34Å; Q561-I563 PolarHBondContact O-N 3.49Å; Q561-A564 PolarHBondContact O-N 2.91Å; Q561-V565 WeakPolarHBondContact O-CG2 3.28Å; Q561-V565 PolarHBondContact O-N 2.91Å
562A97.4Very high94.9Very high0 Ų050.5 Ų50.50%025%0.253CS..Hα-helixtrans-59.6-43.1174.700000112.2F549 R558 S566 D590 Q593F549-A562 HydrophobicContact CE2-CB 3.98Å; F549-A562 HydrophobicContact CZ-CB 4.18Å; R558-A562 WeakPolarHBondContact O-CB 3.39Å; R558-A562 PolarHBondContact O-N 2.88Å; A562-S566 VanDerWaalsContact O-CB 3.27Å; A562-S566 WeakPolarHBondContact O-CB 3.37Å; A562-S566 PolarHBondContact O-N 3.23Å; A562-S566 PolarHBondContact O-OG 3.4Å; A562-D590 HydrophobicContact CB-CB 3.88Å; A562-Q593 HydrophobicContact CB-CB 4.1Å; A562-Q593 HydrophobicContact CB-CG 3.95Å
563I98.3Very high95.1Very high49 Ų4951.5 Ų51.525%0.25127%0.27SS..Hα-helixtrans-62.2-47.1174.8-69.1165.6000110.8K559 L560 Q561 S566 K567 Q593K559-I563 HydrophobicContact CG-CD1 4.22Å; K559-I563 VanDerWaalsContact O-CG1 3.28Å; K559-I563 WeakPolarHBondContact O-CG1 3.32Å; K559-I563 PolarHBondContact O-N 3.43Å; K559-I563 VanDerWaalsContact O-N 3.07Å; L560-I563 PolarHBondContact O-N 2.68Å; Q561-I563 VanDerWaalsContact C-N 3.34Å; Q561-I563 PolarHBondContact O-N 3.49Å; I563-S566 PolarHBondContact O-N 2.91Å; I563-S566 PolarHBondContact O-OG 3.39Å; I563-K567 WeakPolarHBondContact O-CG 3.36Å; I563-K567 PolarHBondContact O-N 2.85Å; I563-Q593 HydrophobicContact CG1-CG 4.18Å
564A98.2Very high95.4Very high23 Ų2346.9 Ų46.919%0.1925%0.25CS..Hα-helixtrans-61.4-48.5179.600000111.7L520 P521 L560 Q561 S566 K567 L568L520-A564 HydrophobicContact CD2-CB 4.05Å; P521-A564 HydrophobicContact CG-CB 4.24Å; L560-A564 WeakPolarHBondContact O-CB 3.47Å; L560-A564 PolarHBondContact O-N 3.24Å; Q561-A564 PolarHBondContact O-N 2.91Å; A564-S566 PolarHBondContact O-N 3.38Å; A564-K567 WeakPolarHBondContact O-CB 3.48Å; A564-K567 PolarHBondContact O-N 3.45Å; A564-K567 VanDerWaalsContact O-N 3.17Å; A564-L568 PolarHBondContact O-N 3.45Å; A564-L568 VanDerWaalsContact O-N 3.12Å
565V98.3Very high95.7Very high0 Ų047.4 Ų47.40%025%0.253CS..Hα-helixtrans-66.7-37.6179.1174.20000112L520 A530 V545 T547 F549 Q561 K567 L568 L569 F578 L594L520-V565 HydrophobicContact CD1-CG2 3.73Å; L520-V565 HydrophobicContact CD2-CG2 3.89Å; L520-V565 HydrophobicContact CG-CG2 4.49Å; A530-V565 HydrophobicContact CB-CG2 4.46Å; V545-V565 HydrophobicContact CG1-CG1 4.2Å; T547-V565 HydrophobicContact CG2-CG2 4.41Å; F549-V565 HydrophobicContact CE1-CB 4.45Å; F549-V565 HydrophobicContact CE1-CG2 3.83Å; F549-V565 HydrophobicContact CZ-CB 4.5Å; F549-V565 HydrophobicContact CZ-CG2 4.33Å; Q561-V565 WeakPolarHBondContact O-CG2 3.28Å; Q561-V565 PolarHBondContact O-N 2.91Å; V565-K567 PolarHBondContact O-N 2.93Å; V565-L568 WeakPolarHBondContact O-CB 3.42Å; V565-L568 PolarHBondContact O-N 3.16Å; V565-L568 VanDerWaalsContact O-N 3.09Å; V565-L569 HydrophobicContact CG1-CD1 4.16Å; V565-L569 HydrophobicContact CG1-CG 4.32Å; V565-L569 WeakPolarHBondContact O-CG 3.44Å; V565-L569 PolarHBondContact O-N 2.94Å; V565-F578 HydrophobicContact CG1-CD2 4.29Å; V565-F578 HydrophobicContact CG1-CE2 3.58Å; V565-F578 HydrophobicContact CG1-CZ 4.27Å; V565-L594 HydrophobicContact CB-CD2 3.87Å; V565-L594 HydrophobicContact CG1-CD2 3.59Å
566S98.3Very high95.9Very high4 Ų444 Ų443%0.02823%0.234CC..Hα-helixtrans-59.1-35.3174.172.70000112.1A562 I563 A564 K570 Q593 G598A562-S566 VanDerWaalsContact O-CB 3.27Å; A562-S566 WeakPolarHBondContact O-CB 3.37Å; A562-S566 PolarHBondContact O-N 3.23Å; A562-S566 PolarHBondContact O-OG 3.4Å; I563-S566 PolarHBondContact O-N 2.91Å; I563-S566 PolarHBondContact O-OG 3.39Å; A564-S566 PolarHBondContact O-N 3.38Å; S566-K570 WeakPolarHBondContact O-CB 3.41Å; S566-K570 PolarHBondContact O-N 3.17Å; S566-Q593 WeakPolarHBondContact CB-O 3.35Å; S566-Q593 PolarHBondContact OG-NE2 3Å; S566-Q593 VanDerWaalsContact OG-NE2 3.07Å; S566-G598 WeakPolarHBondContact O-CA 3.3Å
567K98.3Very high96.2Very high139 Ų13940.5 Ų40.560%0.60422%0.216SC*.Hα-helixtrans-68.9-42.3173.9-66.9171.1-177.6176.60111.7I563 A564 V565 K570 S571I563-K567 WeakPolarHBondContact O-CG 3.36Å; I563-K567 PolarHBondContact O-N 2.85Å; A564-K567 WeakPolarHBondContact O-CB 3.48Å; A564-K567 PolarHBondContact O-N 3.45Å; A564-K567 VanDerWaalsContact O-N 3.17Å; V565-K567 PolarHBondContact O-N 2.93Å; K567-K570 PolarHBondContact O-N 2.94Å; K567-S571 WeakPolarHBondContact O-CB 3.41Å; K567-S571 PolarHBondContact O-N 2.98Å
568L97.9Very high96.4Very high30 Ų3040.5 Ų40.516%0.15722%0.216CC..Hα-helixtrans-58.7-48.2174.5-64.2176.3000110.9H518 A530 T532 V545 A564 V565 K570 S571 S572H518-L568 HydrophobicContact CB-CD1 4.48Å; A530-L568 HydrophobicContact CB-CD1 4.34Å; T532-L568 HydrophobicContact CG2-CB 4.15Å; T532-L568 HydrophobicContact CG2-CD1 4.15Å; T532-L568 HydrophobicContact CG2-CD2 4.24Å; T532-L568 HydrophobicContact CG2-CG 4.41Å; V545-L568 HydrophobicContact CG1-CB 4.45Å; A564-L568 PolarHBondContact O-N 3.45Å; A564-L568 VanDerWaalsContact O-N 3.12Å; V565-L568 WeakPolarHBondContact O-CB 3.42Å; V565-L568 PolarHBondContact O-N 3.16Å; V565-L568 VanDerWaalsContact O-N 3.09Å; L568-K570 PolarHBondContact O-N 2.75Å; L568-S571 PolarHBondContact O-N 2.84Å; L568-S571 PolarHBondContact O-OG 3.44Å; L568-S572 PolarHBondContact O-N 3.38Å
569L98.2Very high96.6Very high0 Ų039.7 Ų39.70%021%0.213CC..Hα-helixtrans-58.5-44.6175.9-71.4170.6000112.2V545 V565 S571 S572 V576 F578 L594 V600 R618V545-L569 HydrophobicContact CB-CD2 3.71Å; V545-L569 HydrophobicContact CG1-CD2 4.08Å; V545-L569 HydrophobicContact CG1-CG 4.38Å; V545-L569 HydrophobicContact CG2-CD2 3.76Å; V565-L569 HydrophobicContact CG1-CD1 4.16Å; V565-L569 HydrophobicContact CG1-CG 4.32Å; V565-L569 WeakPolarHBondContact O-CG 3.44Å; V565-L569 PolarHBondContact O-N 2.94Å; L569-S571 VanDerWaalsContact C-N 3.29Å; L569-S571 PolarHBondContact O-N 2.95Å; L569-S572 PolarHBondContact O-N 3.42Å; L569-V576 HydrophobicContact CD2-CG2 4.11Å; L569-F578 HydrophobicContact CD1-CD2 4.18Å; L569-F578 HydrophobicContact CD1-CG 4.38Å; L569-F578 HydrophobicContact CD2-CB 3.84Å; L569-F578 HydrophobicContact CD2-CD2 3.92Å; L569-F578 HydrophobicContact CD2-CG 4.17Å; L569-F578 HydrophobicContact CG-CD2 4.42Å; L569-L594 HydrophobicContact CD1-CD2 4.03Å; L569-V600 HydrophobicContact CD1-CG1 4.44Å; L569-V600 HydrophobicContact CD1-CG2 4.06Å; L569-V600 HydrophobicContact CD2-CG1 4.15Å; L569-R618 PolarHBondContact O-NH1 3.43Å; L569-R618 PolarHBondContact O-NH2 3.33Å
570K96.1Very high96.5Very high148 Ų14835.1 Ų35.164%0.64319%0.193SC*.Hα-helixtrans-67.7-29.6178.8-169.6171.1-175.5170.50113S566 K567 L568 S572S566-K570 WeakPolarHBondContact O-CB 3.41Å; S566-K570 PolarHBondContact O-N 3.17Å; K567-K570 PolarHBondContact O-N 2.94Å; L568-K570 PolarHBondContact O-N 2.75Å; K570-S572 VanDerWaalsContact C-N 3.32Å
571S95.3Very high96.4Very high90 Ų9034.2 Ų34.263%0.62919%0.186SC*.Hα-helixtrans-74.5-19.8179.175.60000114K567 L568 L569 S573K567-S571 WeakPolarHBondContact O-CB 3.41Å; K567-S571 PolarHBondContact O-N 2.98Å; L568-S571 PolarHBondContact O-N 2.84Å; L568-S571 PolarHBondContact O-OG 3.44Å; L569-S571 VanDerWaalsContact C-N 3.29Å; L569-S571 PolarHBondContact O-N 2.95Å; S571-S573 PolarHBondContact O-N 3.23Å
572S92.7Very high96.1Very high15 Ų1534.2 Ų34.211%0.10519%0.186CC..  trans-68.4120.3177.6169.10000111.2D543 L568 L569 K570 R618D543-S572 VanDerWaalsContact CB-OG 3.29Å; D543-S572 WeakPolarHBondContact CB-OG 3.38Å; D543-S572 WeakPolarHBondContact OD2-CB 3.3Å; D543-S572 PolarHBondContact OD2-OG 3.12Å; L568-S572 PolarHBondContact O-N 3.38Å; L569-S572 PolarHBondContact O-N 3.42Å; K570-S572 VanDerWaalsContact C-N 3.32Å; S572-R618 PolarHBondContact O-NH2 2.88Å
573S87.8Confident95.7Very high112 Ų11234.6 Ų34.678%0.78319%0.188SC*.  trans-87.3-23-18056.90000113.3S571S571-S573 PolarHBondContact O-N 3.23Å
574N91.7Very high95.4Very high48 Ų4832.6 Ų32.626%0.25718%0.179SC..SBendtrans-85.5-179.6179-56.2-47.3000110.8D543 V576D543-N574 HydrophobicContact CB-CB 4.5Å; D543-N574 PolarHBondContact OD1-ND2 2.99Å; D543-N574 PolarHBondContact OD2-ND2 3.09Å; N574-V576 PolarHBondContact O-N 3.39Å
575Q95.6Very high95.1Very high21 Ų2133 Ų3310%0.09818%0.182CC..EExtended strand (participates in β ladder)trans-56.9137.5160.1-64.484.4-1.700109.4D543 R618 G619 L620 P649D543-Q575 PolarHBondContact N-O 3.43Å; Q575-R618 WeakPolarHBondContact CA-O 3.44Å; Q575-G619 WeakPolarHBondContact CG-O 3.24Å; Q575-L620 HydrophobicContact CB-CD1 4.49Å; Q575-L620 HydrophobicContact CB-CD2 3.85Å; Q575-L620 HydrophobicContact CB-CG 3.92Å; Q575-L620 HydrophobicContact CG-CD2 3.95Å; Q575-L620 HydrophobicContact CG-CG 4.26Å; Q575-P649 VanDerWaalsContact NE2-CG 3.25Å
576V97.8Very high94.9Very high0 Ų034.2 Ų34.20%019%0.19CC..EExtended strand (participates in β ladder)trans-127.6139.1-176.359.70000111.6D543 V545 L569 N574 V600 Y617 R618D543-V576 HydrophobicContact CB-CB 4.27Å; D543-V576 HydrophobicContact CB-CG2 4.28Å; D543-V576 CarbonylContact O-C 3.52Å; D543-V576 VanDerWaalsContact O-CA 3.26Å; D543-V576 WeakPolarHBondContact O-CA 3.2Å; V545-V576 HydrophobicContact CG2-CG2 3.93Å; L569-V576 HydrophobicContact CD2-CG2 4.11Å; N574-V576 PolarHBondContact O-N 3.39Å; V576-V600 HydrophobicContact CG1-CG1 4.13Å; V576-Y617 CarbonylContact O-C 3.58Å; V576-Y617 WeakPolarHBondContact O-CA 3.16Å; V576-R618 HydrophobicContact CG1-CB 3.77Å; V576-R618 PolarHBondContact N-O 3.43Å; V576-R618 PolarHBondContact O-N 3.36Å
577I98.6Very high94.6Very high0 Ų036.3 Ų36.30%021%0.212CC..EExtended strand (participates in β ladder)trans-114.7123.8166.8-58.7173.3000107.6V428 A430 V542 D543 F544 V545 L579 I615 L620 F643V428-I577 HydrophobicContact CG1-CD1 4.08Å; A430-I577 HydrophobicContact CB-CD1 4.48Å; A430-I577 HydrophobicContact CB-CG2 4.19Å; V542-I577 HydrophobicContact CG1-CD1 4.32Å; V542-I577 HydrophobicContact CG1-CG1 4.41Å; D543-I577 PolarHBondContact O-N 3.39Å; F544-I577 CarbonylContact C-O 3.56Å; F544-I577 VanDerWaalsContact CA-O 3.27Å; F544-I577 WeakPolarHBondContact CA-O 3.27Å; F544-I577 HydrophobicContact CD1-CB 3.93Å; F544-I577 HydrophobicContact CD1-CG2 4.3Å; F544-I577 HydrophobicContact CE1-CB 3.93Å; F544-I577 HydrophobicContact CE1-CD1 3.75Å; F544-I577 HydrophobicContact CE1-CG1 4.35Å; F544-I577 HydrophobicContact CE1-CG2 4.24Å; F544-I577 HydrophobicContact CZ-CD1 3.89Å; V545-I577 PolarHBondContact N-O 3.06Å; I577-L579 HydrophobicContact CG2-CD2 4.41Å; I577-L579 HydrophobicContact CG2-CG 4.17Å; I577-I615 HydrophobicContact CG2-CG2 4.21Å; I577-L620 HydrophobicContact CD1-CD1 3.72Å; I577-L620 HydrophobicContact CG1-CD1 3.33Å; I577-F643 HydrophobicContact CD1-CD2 3.58Å; I577-F643 HydrophobicContact CD1-CE2 3.9Å; I577-F643 HydrophobicContact CD1-CG 4.33Å; I577-F643 HydrophobicContact CG1-CD2 4.18Å; I577-F643 HydrophobicContact CG1-CE2 4.16Å; I577-F643 HydrophobicContact CG2-CE2 4.06Å
578F98.6Very high94.5Very high0 Ų031.3 Ų31.30%019%0.194CC..EExtended strand (participates in β ladder)trans-97.3134.1171.8175.7-107.9000109.7V545 T547 V565 L569 I582 L594 I615 M616V545-F578 HydrophobicContact CB-CD2 4.11Å; V545-F578 HydrophobicContact CG1-CD2 4.04Å; V545-F578 HydrophobicContact CG1-CE2 4.4Å; V545-F578 CarbonylContact O-C 3.35Å; V545-F578 VanDerWaalsContact O-CA 3.29Å; V545-F578 WeakPolarHBondContact O-CA 3.34Å; V545-F578 VanDerWaalsContact O-CD2 3.28Å; V545-F578 WeakPolarHBondContact O-CD2 3.46Å; T547-F578 HydrophobicContact CG2-CE2 3.62Å; T547-F578 HydrophobicContact CG2-CZ 3.6Å; V565-F578 HydrophobicContact CG1-CD2 4.29Å; V565-F578 HydrophobicContact CG1-CE2 3.58Å; V565-F578 HydrophobicContact CG1-CZ 4.27Å; L569-F578 HydrophobicContact CD1-CD2 4.18Å; L569-F578 HydrophobicContact CD1-CG 4.38Å; L569-F578 HydrophobicContact CD2-CB 3.84Å; L569-F578 HydrophobicContact CD2-CD2 3.92Å; L569-F578 HydrophobicContact CD2-CG 4.17Å; L569-F578 HydrophobicContact CG-CD2 4.42Å; F578-I582 HydrophobicContact CE1-CG2 4.34Å; F578-I582 HydrophobicContact CZ-CG2 4.04Å; F578-L594 HydrophobicContact CE1-CD1 3.99Å; F578-L594 HydrophobicContact CZ-CD1 3.91Å; F578-I615 VanDerWaalsContact O-CA 3.32Å; F578-I615 WeakPolarHBondContact O-CA 3.46Å; F578-M616 HydrophobicContact CB-CB 3.99Å; F578-M616 HydrophobicContact CD1-CB 4.03Å; F578-M616 HydrophobicContact CD1-CG 3.87Å; F578-M616 HydrophobicContact CD1-SD 3.93Å; F578-M616 HydrophobicContact CE1-SD 4.3Å; F578-M616 HydrophobicContact CG-CB 4.47Å; F578-M616 PolarHBondContact N-O 3.46Å; F578-M616 PolarHBondContact O-N 3.32Å
579L98.3Very high94.4Very high0 Ų034.5 Ų34.50%020%0.204CC..EExtended strand (participates in β ladder)trans-132103.4176.3-63.6158000107.3A430 I432 F461 T463 F544 V545 V546 T547 I577 Y614 I615A430-L579 HydrophobicContact CB-CD1 4.27Å; A430-L579 HydrophobicContact CB-CD2 4.18Å; I432-L579 HydrophobicContact CB-CB 4.27Å; I432-L579 HydrophobicContact CB-CD2 4.14Å; I432-L579 VanDerWaalsContact CD1-C 3.49Å; I432-L579 HydrophobicContact CD1-CB 4.08Å; I432-L579 HydrophobicContact CG2-CD2 4.27Å; F461-L579 HydrophobicContact CD1-CD1 3.62Å; F461-L579 HydrophobicContact CE1-CD1 3.49Å; F461-L579 VanDerWaalsContact CE1-CD1 3.49Å; T463-L579 HydrophobicContact CG2-CB 3.76Å; T463-L579 HydrophobicContact CG2-CD1 3.84Å; T463-L579 HydrophobicContact CG2-CG 4.33Å; F544-L579 HydrophobicContact CD1-CD1 4.06Å; V545-L579 PolarHBondContact O-N 2.96Å; V546-L579 VanDerWaalsContact CA-O 3.22Å; V546-L579 WeakPolarHBondContact CA-O 3.36Å; V546-L579 WeakPolarHBondContact CG1-O 3.28Å; V546-L579 HydrophobicContact CG2-CB 4.32Å; V546-L579 HydrophobicContact CG2-CD1 4.41Å; T547-L579 PolarHBondContact N-O 3.05Å; I577-L579 HydrophobicContact CG2-CD2 4.41Å; I577-L579 HydrophobicContact CG2-CG 4.17Å; L579-Y614 WeakPolarHBondContact CA-O 3.27Å; L579-I615 HydrophobicContact CD2-CB 4.42Å; L579-I615 HydrophobicContact CD2-CD1 4.07Å; L579-I615 HydrophobicContact CD2-CG1 3.9Å; L579-I615 HydrophobicContact CD2-CG2 3.97Å
580G95.5Very high94.2Very high0 Ų034.7 Ų34.70%021%0.205CC..EExtended strand (participates in β ladder)trans-135.7143.8-170.600000114.3T547 E613 Y614T547-G580 WeakPolarHBondContact O-CA 3.33Å; G580-E613 CarbonylContact O-C 3.55Å; G580-E613 WeakPolarHBondContact O-CA 3.36Å; G580-Y614 PolarHBondContact N-O 2.93Å; G580-Y614 PolarHBondContact O-N 3.39Å
581Y94.4Very high94.2Very high39 Ų3928.4 Ų28.415%0.15318%0.178CC..EExtended strand (participates in β ladder)trans-100.9106.8162.5-169-75.7000108.2P434 L465 T547 H548 F549 T583 C612 E613P434-Y581 HydrophobicContact CB-CD2 4.42Å; P434-Y581 HydrophobicContact CB-CE2 4.31Å; P434-Y581 HydrophobicContact CG-CD2 3.46Å; P434-Y581 VanDerWaalsContact CG-CD2 3.46Å; P434-Y581 HydrophobicContact CG-CE2 3.62Å; L465-Y581 HydrophobicContact CD1-CD2 4.48Å; L465-Y581 HydrophobicContact CD1-CG 4.29Å; T547-Y581 PolarHBondContact O-N 3.07Å; H548-Y581 AromaticContact CD2-CD1 3.84Å; H548-Y581 AromaticContact CD2-CG 3.8Å; H548-Y581 AromaticContact NE2-CD1 3.85Å; F549-Y581 WeakPolarHBondContact CB-O 3.39Å; F549-Y581 PolarHBondContact N-O 3.2Å; Y581-T583 HydrophobicContact CD1-CG2 3.76Å; Y581-T583 HydrophobicContact CE1-CG2 3.31Å; Y581-C612 CarbonylContact C-O 3.55Å; Y581-C612 WeakPolarHBondContact CA-O 3.42Å; Y581-C612 HydrophobicContact CD1-CB 4.11Å; Y581-C612 HydrophobicContact CD2-CB 3.55Å; Y581-C612 HydrophobicContact CE1-CB 3.81Å; Y581-C612 HydrophobicContact CE2-CB 3.25Å; Y581-C612 HydrophobicContact CG-CB 3.99Å; Y581-C612 PolarHBondContact OH-SG 3.16Å; Y581-E613 HydrophobicContact CD2-CG 3.91Å
582I91Very high94.3Very high0 Ų027.1 Ų27.10%016%0.163CC..  trans-117.74.3-16772.7-178.8000114.5T547 F549 F578 S584 L594 C612 Y614T547-I582 HydrophobicContact CG2-CG2 4.35Å; F549-I582 HydrophobicContact CD2-CB 3.71Å; F549-I582 HydrophobicContact CD2-CG2 4.13Å; F549-I582 HydrophobicContact CE1-CG2 4.4Å; F549-I582 HydrophobicContact CE2-CB 3.81Å; F549-I582 HydrophobicContact CE2-CG2 3.96Å; F549-I582 HydrophobicContact CG-CB 4.27Å; F549-I582 HydrophobicContact CG-CG2 4.41Å; F549-I582 HydrophobicContact CZ-CB 4.44Å; F549-I582 HydrophobicContact CZ-CG2 4.08Å; F578-I582 HydrophobicContact CE1-CG2 4.34Å; F578-I582 HydrophobicContact CZ-CG2 4.04Å; I582-S584 WeakPolarHBondContact O-CB 3.49Å; I582-S584 PolarHBondContact O-N 3.27Å; I582-S584 PolarHBondContact O-OG 3.46Å; I582-L594 HydrophobicContact CD1-CD1 3.91Å; I582-L594 HydrophobicContact CG2-CD1 3.84Å; I582-C612 PolarHBondContact N-O 2.86Å; I582-Y614 HydrophobicContact CD1-CD2 3.32Å; I582-Y614 HydrophobicContact CD1-CE2 3.44Å; I582-Y614 VanDerWaalsContact CD1-CE2 3.44Å; I582-Y614 HydrophobicContact CD1-CG 3.91Å; I582-Y614 HydrophobicContact CG1-CD2 3.36Å; I582-Y614 HydrophobicContact CG1-CE2 3.35Å; I582-Y614 HydrophobicContact CG1-CG 4.39Å
583T90Very high94.6Very high9 Ų928.3 Ų28.36%0.05517%0.167CC..SBendtrans46.536.8175.853.70000115.2G550 R558 Y581G550-T583 PolarHBondContact O-OG1 3.22Å; G550-T583 VanDerWaalsContact O-OG1 3.06Å; R558-T583 VanDerWaalsContact CD-OG1 3.25Å; R558-T583 WeakPolarHBondContact CD-OG1 3.38Å; Y581-T583 HydrophobicContact CD1-CG2 3.76Å; Y581-T583 HydrophobicContact CE1-CG2 3.31Å
584S91.4Very high95.1Very high7 Ų723 Ų235%0.04913%0.13CC..SBendtrans-149.4138.5-171.9-57.40000111.1I582 S588 W611 Y614I582-S584 WeakPolarHBondContact O-CB 3.49Å; I582-S584 PolarHBondContact O-N 3.27Å; I582-S584 PolarHBondContact O-OG 3.46Å; S584-S588 WeakPolarHBondContact CB-OG 3.23Å; S584-W611 CarbonylContact C-O 3.6Å; S584-W611 PolarHBondContact N-O 3.24Å; S584-Y614 WeakPolarHBondContact O-CE2 3.27Å; S584-Y614 VanDerWaalsContact O-CZ 3.25Å; S584-Y614 PolarHBondContact O-OH 3.22Å
585A92.2Very high95.3Very high32 Ų3221.9 Ų21.926%0.26413%0.125SC..  trans-67.1159.5179.600000114.3G587 S588 W611 Y614A585-G587 PolarHBondContact O-N 2.86Å; A585-S588 WeakPolarHBondContact O-CB 3.33Å; A585-S588 PolarHBondContact O-N 3.1Å; A585-S588 VanDerWaalsContact O-N 3.14Å; A585-S588 PolarHBondContact O-OG 2.96Å; A585-W611 HydrophobicContact CB-CE3 3.8Å; A585-W611 HydrophobicContact CB-CZ3 3.76Å; A585-Y614 VanDerWaalsContact C-OH 3.31Å; A585-Y614 WeakPolarHBondContact CA-OH 3.47Å
586P92.9Very high95.4Very high25 Ų2527 Ų2716%0.16215%0.149CC..THydrogen-bonded Turntrans-56.1136.8169.6-22.232.7000111.1S588 Y591 R610 Y614P586-S588 PolarHBondContact O-N 2.98Å; P586-Y591 HydrophobicContact CB-CE2 4.35Å; P586-R610 WeakPolarHBondContact CD-O 3.38Å; P586-R610 HydrophobicContact CG-CB 4.37Å; P586-Y614 WeakPolarHBondContact CD-OH 3.49Å; P586-Y614 HydrophobicContact CG-CE1 4.11Å
587G93.2Very high95.4Very high47 Ų4731.8 Ų31.849%0.48517%0.171SC..THydrogen-bonded Turntrans78-1.3-177.700000115.4A585 L592A585-G587 PolarHBondContact O-N 2.86Å; G587-L592 WeakPolarHBondContact O-CD1 3.45Å
588S94.6Very high95.3Very high34 Ų3431.8 Ų31.824%0.23817%0.171CC..SBendtrans-67.9167.6171.765.80000112.5S584 A585 P586 D590 Y591 L592S584-S588 WeakPolarHBondContact CB-OG 3.23Å; A585-S588 WeakPolarHBondContact O-CB 3.33Å; A585-S588 PolarHBondContact O-N 3.1Å; A585-S588 VanDerWaalsContact O-N 3.14Å; A585-S588 PolarHBondContact O-OG 2.96Å; P586-S588 PolarHBondContact O-N 2.98Å; S588-D590 VanDerWaalsContact C-N 3.32Å; S588-D590 PolarHBondContact O-N 3.39Å; S588-Y591 PolarHBondContact O-N 3.44Å; S588-Y591 WeakPolarHBondContact OG-CB 3.24Å; S588-Y591 PolarHBondContact OG-N 3.2Å; S588-L592 WeakPolarHBondContact O-CB 3.35Å; S588-L592 VanDerWaalsContact O-CG 3.31Å; S588-L592 WeakPolarHBondContact O-CG 3.46Å; S588-L592 PolarHBondContact O-N 3.16Å
589R96Very high95.2Very high98 Ų9836.5 Ų36.537%0.3720%0.196SC..Hα-helixtrans-49.4-51.5176.3178.8-164.567.9-149-7.6112.2D555 L592 Q593D555-R589 PolarHBondContact O-NH2 3.4Å; D555-R589 IonicContact OD1-CZ 3.93Å; D555-R589 IonicContact OD1-NH1 3.18Å; D555-R589 PolarHBondContact OD1-NH1 3.19Å; D555-R589 IonicContact OD1-NH2 3.66Å; D555-R589 PolarHBondContact OD1-NH2 3.41Å; D555-R589 IonicContact OD2-CZ 2.64Å; D555-R589 IonicContact OD2-NH1 2.78Å; D555-R589 PolarHBondContact OD2-NH1 2.94Å; D555-R589 IonicContact OD2-NH2 3.82Å; R589-L592 PolarHBondContact O-N 3.39Å; R589-Q593 WeakPolarHBondContact O-CB 3.49Å; R589-Q593 PolarHBondContact O-N 3.44Å
590D95.6Very high95.2Very high4 Ų436.9 Ų36.92%0.02120%0.198CC..Hα-helixtrans-72.3-36.6-172.6-61.9-25000110.8R558 A562 S588 Q593 L594R558-D590 WeakPolarHBondContact CB-OD2 3.27Å; R558-D590 IonicContact NE-OD2 3.7Å; A562-D590 HydrophobicContact CB-CB 3.88Å; S588-D590 VanDerWaalsContact C-N 3.32Å; S588-D590 PolarHBondContact O-N 3.39Å; D590-Q593 PolarHBondContact O-N 3.42Å; D590-L594 WeakPolarHBondContact O-CG 3.28Å; D590-L594 PolarHBondContact O-N 3.14Å
591Y96.1Very high95.2Very high16 Ų1642 Ų426%0.06322%0.221CC..Hα-helixtrans-60.6-49170.4174.7-85.5000112.5P586 S588 Q593 L594 T595 D602 Y614 M616P586-Y591 HydrophobicContact CB-CE2 4.35Å; S588-Y591 PolarHBondContact O-N 3.44Å; S588-Y591 WeakPolarHBondContact OG-CB 3.24Å; S588-Y591 PolarHBondContact OG-N 3.2Å; Y591-Q593 VanDerWaalsContact C-N 3.32Å; Y591-Q593 PolarHBondContact O-N 2.79Å; Y591-L594 PolarHBondContact O-N 3.45Å; Y591-T595 HydrophobicContact CD1-CG2 4.29Å; Y591-T595 HydrophobicContact CE1-CG2 3.84Å; Y591-T595 HydrophobicContact CE2-CG2 4.31Å; Y591-T595 PolarHBondContact O-N 2.8Å; Y591-T595 PolarHBondContact O-OG1 3.49Å; Y591-D602 VanDerWaalsContact CE2-OD2 3.25Å; Y591-D602 WeakPolarHBondContact CE2-OD2 3.01Å; Y591-D602 VanDerWaalsContact OH-CB 3.27Å; Y591-D602 WeakPolarHBondContact OH-CB 3.47Å; Y591-D602 PolarHBondContact OH-OD2 3.35Å; Y591-Y614 HydrophobicContact CD2-CD1 4.02Å; Y591-Y614 AromaticContact CD2-CE1 3.75Å; Y591-Y614 HydrophobicContact CD2-CE1 3.75Å; Y591-Y614 AromaticContact CE2-CD1 3.96Å; Y591-Y614 HydrophobicContact CE2-CD1 3.96Å; Y591-Y614 AromaticContact CE2-CE1 3.86Å; Y591-Y614 HydrophobicContact CE2-CE1 3.86Å; Y591-M616 HydrophobicContact CD2-CE 3.69Å; Y591-M616 HydrophobicContact CE2-CE 3.69Å
592L97.3Very high95.3Very high63 Ų6340.8 Ų40.833%0.3322%0.217SC..Hα-helixtrans-65.9-36.8179.6-69.3173.7000111.4G587 S588 R589 L594 T595 E596G587-L592 WeakPolarHBondContact O-CD1 3.45Å; S588-L592 WeakPolarHBondContact O-CB 3.35Å; S588-L592 VanDerWaalsContact O-CG 3.31Å; S588-L592 WeakPolarHBondContact O-CG 3.46Å; S588-L592 PolarHBondContact O-N 3.16Å; R589-L592 PolarHBondContact O-N 3.39Å; L592-L594 PolarHBondContact O-N 3.48Å; L592-T595 WeakPolarHBondContact CA-OG1 3.47Å; L592-T595 PolarHBondContact O-N 3.35Å; L592-T595 PolarHBondContact O-OG1 2.98Å; L592-E596 VanDerWaalsContact O-CB 3.3Å; L592-E596 WeakPolarHBondContact O-CB 3.34Å; L592-E596 PolarHBondContact O-N 3.45Å
593Q98Very high95.6Very high40 Ų4040.8 Ų40.819%0.18722%0.217CC..Iπ-helixtrans-57.4-40.7173.4-176.662.937.100111.5A562 I563 S566 R589 D590 Y591 H597 G598A562-Q593 HydrophobicContact CB-CB 4.1Å; A562-Q593 HydrophobicContact CB-CG 3.95Å; I563-Q593 HydrophobicContact CG1-CG 4.18Å; S566-Q593 WeakPolarHBondContact CB-O 3.35Å; S566-Q593 PolarHBondContact OG-NE2 3Å; S566-Q593 VanDerWaalsContact OG-NE2 3.07Å; R589-Q593 WeakPolarHBondContact O-CB 3.49Å; R589-Q593 PolarHBondContact O-N 3.44Å; D590-Q593 PolarHBondContact O-N 3.42Å; Y591-Q593 VanDerWaalsContact C-N 3.32Å; Y591-Q593 PolarHBondContact O-N 2.79Å; Q593-H597 VanDerWaalsContact O-CB 3.3Å; Q593-H597 WeakPolarHBondContact O-CB 3.49Å; Q593-H597 PolarHBondContact O-N 2.87Å; Q593-H597 PolarHBondContact OE1-CD2 3.31Å; Q593-G598 PolarHBondContact O-N 2.91Å
594L97.8Very high95.7Very high0 Ų040.5 Ų40.50%022%0.215CC..Iπ-helixtrans-72.4-47.8177.6-64.9173.2000112V565 L569 F578 I582 D590 Y591 L592 G598 V600 M616V565-L594 HydrophobicContact CB-CD2 3.87Å; V565-L594 HydrophobicContact CG1-CD2 3.59Å; L569-L594 HydrophobicContact CD1-CD2 4.03Å; F578-L594 HydrophobicContact CE1-CD1 3.99Å; F578-L594 HydrophobicContact CZ-CD1 3.91Å; I582-L594 HydrophobicContact CD1-CD1 3.91Å; I582-L594 HydrophobicContact CG2-CD1 3.84Å; D590-L594 WeakPolarHBondContact O-CG 3.28Å; D590-L594 PolarHBondContact O-N 3.14Å; Y591-L594 PolarHBondContact O-N 3.45Å; L592-L594 PolarHBondContact O-N 3.48Å; L594-G598 CarbonylContact O-C 3.56Å; L594-G598 WeakPolarHBondContact O-CA 3.27Å; L594-G598 PolarHBondContact O-N 2.93Å; L594-V600 WeakPolarHBondContact O-CG2 3.34Å; L594-M616 HydrophobicContact CB-CE 4.34Å; L594-M616 HydrophobicContact CB-SD 4.07Å
595T97.3Very high95.7Very high24 Ų2443.4 Ų43.415%0.14724%0.235CC..Iπ-helixtrans-70.7-47.8-175.453.90000112.6Y591 L592 N599 V600 M616Y591-T595 HydrophobicContact CD1-CG2 4.29Å; Y591-T595 HydrophobicContact CE1-CG2 3.84Å; Y591-T595 HydrophobicContact CE2-CG2 4.31Å; Y591-T595 PolarHBondContact O-N 2.8Å; Y591-T595 PolarHBondContact O-OG1 3.49Å; L592-T595 WeakPolarHBondContact CA-OG1 3.47Å; L592-T595 PolarHBondContact O-N 3.35Å; L592-T595 PolarHBondContact O-OG1 2.98Å; T595-N599 WeakPolarHBondContact O-CA 3.45Å; T595-N599 PolarHBondContact O-N 3.08Å; T595-V600 WeakPolarHBondContact CA-O 3.4Å; T595-V600 PolarHBondContact O-N 2.99Å; T595-V600 VanDerWaalsContact O-N 3.13Å; T595-M616 HydrophobicContact CG2-CE 3.85Å; T595-M616 HydrophobicContact CG2-SD 3.75Å
596E97.4Very high95.5Very high129 Ų12945.9 Ų45.960%0.60325%0.247SC*.Iπ-helixtrans-79.6-52-176-59.3-176.1175.200112.1L592L592-E596 VanDerWaalsContact O-CB 3.3Å; L592-E596 WeakPolarHBondContact O-CB 3.34Å; L592-E596 PolarHBondContact O-N 3.45Å
597H97.3Very high95.3Very high100 Ų10044.8 Ų44.846%0.46324%0.24SC..Iπ-helixtrans-86.1-28.1-176-64.6-84.7000113.3Q593 N599Q593-H597 VanDerWaalsContact O-CB 3.3Å; Q593-H597 WeakPolarHBondContact O-CB 3.49Å; Q593-H597 PolarHBondContact O-N 2.87Å; Q593-H597 PolarHBondContact OE1-CD2 3.31Å; H597-N599 VanDerWaalsContact C-N 3.26Å
598G97.2Very high95.1Very high0 Ų049.1 Ų49.10%025%0.247CC..THydrogen-bonded Turntrans-77.8-12.6169.500000113.3S566 Q593 L594 R618S566-G598 WeakPolarHBondContact O-CA 3.3Å; Q593-G598 PolarHBondContact O-N 2.91Å; L594-G598 CarbonylContact O-C 3.56Å; L594-G598 WeakPolarHBondContact O-CA 3.27Å; L594-G598 PolarHBondContact O-N 2.93Å; G598-R618 PolarHBondContact O-NH1 2.91Å
599N96.4Very high94.7Very high99 Ų9952.6 Ų52.653%0.52926%0.263SS..THydrogen-bonded Turntrans53.957.4-179.5-177.131.9000111.2T595 H597 R618T595-N599 WeakPolarHBondContact O-CA 3.45Å; T595-N599 PolarHBondContact O-N 3.08Å; H597-N599 VanDerWaalsContact C-N 3.26Å; N599-R618 VanDerWaalsContact O-CD 3.3Å; N599-R618 WeakPolarHBondContact O-CD 3.43Å; N599-R618 PolarHBondContact O-NH1 2.95Å
600V97.2Very high94.4Very high8 Ų848.2 Ų48.25%0.04825%0.247CC..  trans-132.3150.3176-67.50000110.1L569 V576 L594 T595 M616 R618L569-V600 HydrophobicContact CD1-CG1 4.44Å; L569-V600 HydrophobicContact CD1-CG2 4.06Å; L569-V600 HydrophobicContact CD2-CG1 4.15Å; V576-V600 HydrophobicContact CG1-CG1 4.13Å; L594-V600 WeakPolarHBondContact O-CG2 3.34Å; T595-V600 WeakPolarHBondContact CA-O 3.4Å; T595-V600 PolarHBondContact O-N 2.99Å; T595-V600 VanDerWaalsContact O-N 3.13Å; V600-M616 HydrophobicContact CB-CB 4.02Å; V600-M616 HydrophobicContact CG2-CB 3.71Å; V600-M616 HydrophobicContact CG2-CG 4.35Å; V600-M616 HydrophobicContact CG2-SD 3.72Å; V600-R618 HydrophobicContact CG1-CB 4.18Å
601K96.3Very high93.9Very high109 Ų10954 Ų5447%0.47427%0.268SS..EExtended strand (participates in β ladder)trans-96.9138.5175.5-64.2176.2175.6175.50109.4M616 Y617 D654K601-M616 CarbonylContact O-C 3.57Å; K601-M616 WeakPolarHBondContact O-CA 3.3Å; K601-M616 VanDerWaalsContact O-CB 3.3Å; K601-M616 WeakPolarHBondContact O-CB 3.39Å; K601-Y617 HydrophobicContact CB-CD1 4.4Å; K601-Y617 HydrophobicContact CB-CE1 4Å; K601-Y617 PolarHBondContact N-O 3.17Å; K601-Y617 VanDerWaalsContact O-CD1 3.28Å; K601-Y617 WeakPolarHBondContact O-CD1 3.27Å; K601-Y617 PolarHBondContact O-N 2.96Å; K601-D654 IonicContact NZ-OD2 3.7Å
602D96.2Very high93.5Very high12 Ų1254.5 Ų54.56%0.06427%0.274CS..EExtended strand (participates in β ladder)trans-68.2142.6168.7-167.3-9.6000110.9Y591 D604 R610Y591-D602 VanDerWaalsContact CE2-OD2 3.25Å; Y591-D602 WeakPolarHBondContact CE2-OD2 3.01Å; Y591-D602 VanDerWaalsContact OH-CB 3.27Å; Y591-D602 WeakPolarHBondContact OH-CB 3.47Å; Y591-D602 PolarHBondContact OH-OD2 3.35Å; D602-D604 PolarHBondContact O-N 3.16Å; D602-D604 PolarHBondContact OD1-N 2.85Å; D602-R610 VanDerWaalsContact CG-NH2 3.33Å; D602-R610 IonicContact OD1-CZ 2.79Å; D602-R610 IonicContact OD1-NH1 3.92Å; D602-R610 PolarHBondContact OD1-NH1 3.22Å; D602-R610 IonicContact OD1-NH2 3Å; D602-R610 PolarHBondContact OD1-NH2 3Å; D602-R610 IonicContact OD2-CZ 3.27Å; D602-R610 IonicContact OD2-NH1 2.77Å; D602-R610 IonicContact OD2-NH2 3.22Å; D602-R610 PolarHBondContact OD2-NH2 3.46Å
603I96.5Very high93.3Very high0 Ų051.8 Ų51.80%026%0.26CS..SBendtrans-57.6-41.7175.8-171.661.8000111.2I615 Y617 R622 Y625 A641 F643 F698I603-I615 HydrophobicContact CB-CB 4.36Å; I603-I615 WeakPolarHBondContact CB-O 3.22Å; I603-I615 HydrophobicContact CG2-CB 4.03Å; I603-I615 VanDerWaalsContact CG2-O 3.31Å; I603-I615 WeakPolarHBondContact CG2-O 3.26Å; I603-I615 PolarHBondContact N-O 2.81Å; I603-Y617 HydrophobicContact CD1-CE1 4.32Å; I603-R622 HydrophobicContact CD1-CB 3.71Å; I603-R622 PolarHBondContact O-NH1 3.29Å; I603-Y625 HydrophobicContact CB-CD2 4.45Å; I603-Y625 HydrophobicContact CG1-CD2 3.95Å; I603-Y625 HydrophobicContact CG1-CG 3.99Å; I603-Y625 HydrophobicContact CG2-CD1 4.49Å; I603-Y625 HydrophobicContact CG2-CD2 3.6Å; I603-Y625 HydrophobicContact CG2-CE2 3.78Å; I603-Y625 HydrophobicContact CG2-CG 4Å; I603-A641 HydrophobicContact CD1-CB 4.05Å; I603-A641 HydrophobicContact CG1-CB 4.02Å; I603-F643 HydrophobicContact CD1-CE1 3.77Å; I603-F643 HydrophobicContact CD1-CZ 3.97Å; I603-F698 HydrophobicContact CD1-CE2 4.26Å; I603-F698 HydrophobicContact CG1-CE2 4.4Å; I603-F698 WeakPolarHBondContact O-CZ 3.38Å
604D93.8Very high93.1Very high4 Ų449.9 Ų49.92%0.02125%0.251CS..  trans-152.287.7179.2-172.82.2000112.2D602 T606 D607 R610 Y625 K696 F698D602-D604 PolarHBondContact O-N 3.16Å; D602-D604 PolarHBondContact OD1-N 2.85Å; D604-T606 PolarHBondContact O-N 2.97Å; D604-T606 WeakPolarHBondContact OD1-CB 3.42Å; D604-T606 PolarHBondContact OD1-N 2.98Å; D604-T606 PolarHBondContact OD1-OG1 2.7Å; D604-D607 PolarHBondContact O-N 2.93Å; D604-R610 PolarHBondContact O-NH2 3.06Å; D604-Y625 HydrophobicContact CB-CD1 3.92Å; D604-Y625 HydrophobicContact CB-CE1 4.29Å; D604-K696 WeakPolarHBondContact OD2-CD 3.45Å; D604-K696 WeakPolarHBondContact OD2-CE 3.4Å; D604-K696 IonicContact OD2-NZ 3.41Å; D604-K696 PolarHBondContact OD2-NZ 2.71Å; D604-F698 HydrophobicContact CB-CZ 4.34Å
605S89.6Confident93.2Very high67 Ų6749.9 Ų49.947%0.46925%0.251SS..THydrogen-bonded Turntrans-66.3-5.6176.962.10000114.6
606T89Confident93.2Very high85 Ų8548.8 Ų48.852%0.52124%0.244SC..THydrogen-bonded Turntrans-90.6-10.2176.972.30000113D604 H608D604-T606 PolarHBondContact O-N 2.97Å; D604-T606 WeakPolarHBondContact OD1-CB 3.42Å; D604-T606 PolarHBondContact OD1-N 2.98Å; D604-T606 PolarHBondContact OD1-OG1 2.7Å; T606-H608 PolarHBondContact O-CD2 3.07Å; T606-H608 PolarHBondContact O-N 2.73Å
607D89.5Confident93.2Very high1 Ų142.8 Ų42.81%0.00522%0.216CC..  trans-82.291.2171.8-170.8-8.8000109.9D604 D609 R610 R627D604-D607 PolarHBondContact O-N 2.93Å; D607-D609 VanDerWaalsContact C-N 3.32Å; D607-D609 PolarHBondContact OD1-N 3.35Å; D607-R610 HydrophobicContact CB-CG 4.47Å; D607-R610 PolarHBondContact O-NE 3.39Å; D607-R627 IonicContact OD1-NH1 2.88Å; D607-R627 PolarHBondContact OD1-NH1 3.43Å; D607-R627 VanDerWaalsContact OD1-NH1 3.1Å; D607-R627 VanDerWaalsContact OD2-CD 3.24Å; D607-R627 WeakPolarHBondContact OD2-CD 3.5Å; D607-R627 IonicContact OD2-CZ 3.62Å; D607-R627 IonicContact OD2-NE 2.66Å; D607-R627 IonicContact OD2-NH1 3.52Å; D607-R627 PolarHBondContact OD2-NH1 3.35Å
608H87.4Confident93.2Very high138 Ų13840.2 Ų40.264%0.63920%0.202SC*.THydrogen-bonded Turntrans-79.8-10.8179.6-61.9-60.4000113.6T606 R610T606-H608 PolarHBondContact O-CD2 3.07Å; T606-H608 PolarHBondContact O-N 2.73Å; H608-R610 PolarHBondContact O-N 2.95Å
609D86.9Confident93.1Very high108 Ų10841.1 Ų41.158%0.57821%0.211SC*.THydrogen-bonded Turntrans-86.88.5-178.9-60.4-45.2000112.5D607D607-D609 VanDerWaalsContact C-N 3.32Å; D607-D609 PolarHBondContact OD1-N 3.35Å
610R89.7Confident93.1Very high5 Ų536.4 Ų36.42%0.01919%0.186CC..  trans-84.7144.9172.3-69-178.6-63.7159.46.6110.3P586 D602 D604 D607 H608 Y614 Y625P586-R610 WeakPolarHBondContact CD-O 3.38Å; P586-R610 HydrophobicContact CG-CB 4.37Å; D602-R610 VanDerWaalsContact CG-NH2 3.33Å; D602-R610 IonicContact OD1-CZ 2.79Å; D602-R610 IonicContact OD1-NH1 3.92Å; D602-R610 PolarHBondContact OD1-NH1 3.22Å; D602-R610 IonicContact OD1-NH2 3Å; D602-R610 PolarHBondContact OD1-NH2 3Å; D602-R610 IonicContact OD2-CZ 3.27Å; D602-R610 IonicContact OD2-NH1 2.77Å; D602-R610 IonicContact OD2-NH2 3.22Å; D602-R610 PolarHBondContact OD2-NH2 3.46Å; D604-R610 PolarHBondContact O-NH2 3.06Å; D607-R610 HydrophobicContact CB-CG 4.47Å; D607-R610 PolarHBondContact O-NE 3.39Å; H608-R610 PolarHBondContact O-N 2.95Å; R610-Y614 HydrophobicContact CB-CE1 4.2Å; R610-Y625 WeakPolarHBondContact CD-OH 3.36Å
611W84.6Confident93.1Very high126 Ų12637 Ų3748%0.47719%0.188SC..SBendtrans-133.4-50.4177-179.8-109.9000111.5H552 S584 A585H552-W611 AromaticContact CE1-CH2 3.84Å; H552-W611 AromaticContact CE1-CZ2 3.66Å; H552-W611 AromaticContact ND1-CZ2 3.42Å; H552-W611 WeakPolarHBondContact ND1-CZ2 3.28Å; S584-W611 CarbonylContact C-O 3.6Å; S584-W611 PolarHBondContact N-O 3.24Å; A585-W611 HydrophobicContact CB-CE3 3.8Å; A585-W611 HydrophobicContact CB-CZ3 3.76Å
612C87.5Confident93.1Very high26 Ų2633 Ų3318%0.17617%0.17CC..SBendtrans-97.6-52.7-174.7-60.40000113.3Y581 I582 Y614Y581-C612 CarbonylContact C-O 3.55Å; Y581-C612 WeakPolarHBondContact CA-O 3.42Å; Y581-C612 HydrophobicContact CD1-CB 4.11Å; Y581-C612 HydrophobicContact CD2-CB 3.55Å; Y581-C612 HydrophobicContact CE1-CB 3.81Å; Y581-C612 HydrophobicContact CE2-CB 3.25Å; Y581-C612 HydrophobicContact CG-CB 3.99Å; Y581-C612 PolarHBondContact OH-SG 3.16Å; I582-C612 PolarHBondContact N-O 2.86Å; C612-Y614 WeakPolarHBondContact O-CD2 3.32Å; C612-Y614 WeakPolarHBondContact O-CE2 3.19Å
613E93Very high93.2Very high7 Ų732.6 Ų32.63%0.03317%0.168CC..EExtended strand (participates in β ladder)trans-98.9137.3-166.7-64.4175.196.300113.6P434 G580 Y581 E637 Q639P434-E613 WeakPolarHBondContact CD-OE1 3.12Å; P434-E613 HydrophobicContact CG-CG 4.3Å; G580-E613 CarbonylContact O-C 3.55Å; G580-E613 WeakPolarHBondContact O-CA 3.36Å; Y581-E613 HydrophobicContact CD2-CG 3.91Å; E613-E637 WeakPolarHBondContact OE2-CG 3.45Å; E613-Q639 HydrophobicContact CB-CG 4.07Å; E613-Q639 PolarHBondContact O-NE2 3.46Å; E613-Q639 VanDerWaalsContact O-NE2 3.14Å; E613-Q639 PolarHBondContact O-OE1 2.9Å
614Y95.7Very high93.1Very high0 Ų032.6 Ų32.60%017%0.168CC..EExtended strand (participates in β ladder)trans-138.4139.8-178.5-65.2-90.4000111.9L579 G580 I582 S584 A585 P586 Y591 R610 C612 M616L579-Y614 WeakPolarHBondContact CA-O 3.27Å; G580-Y614 PolarHBondContact N-O 2.93Å; G580-Y614 PolarHBondContact O-N 3.39Å; I582-Y614 HydrophobicContact CD1-CD2 3.32Å; I582-Y614 HydrophobicContact CD1-CE2 3.44Å; I582-Y614 VanDerWaalsContact CD1-CE2 3.44Å; I582-Y614 HydrophobicContact CD1-CG 3.91Å; I582-Y614 HydrophobicContact CG1-CD2 3.36Å; I582-Y614 HydrophobicContact CG1-CE2 3.35Å; I582-Y614 HydrophobicContact CG1-CG 4.39Å; S584-Y614 WeakPolarHBondContact O-CE2 3.27Å; S584-Y614 VanDerWaalsContact O-CZ 3.25Å; S584-Y614 PolarHBondContact O-OH 3.22Å; A585-Y614 VanDerWaalsContact C-OH 3.31Å; A585-Y614 WeakPolarHBondContact CA-OH 3.47Å; P586-Y614 WeakPolarHBondContact CD-OH 3.49Å; P586-Y614 HydrophobicContact CG-CE1 4.11Å; Y591-Y614 HydrophobicContact CD2-CD1 4.02Å; Y591-Y614 AromaticContact CD2-CE1 3.75Å; Y591-Y614 HydrophobicContact CD2-CE1 3.75Å; Y591-Y614 AromaticContact CE2-CD1 3.96Å; Y591-Y614 HydrophobicContact CE2-CD1 3.96Å; Y591-Y614 AromaticContact CE2-CE1 3.86Å; Y591-Y614 HydrophobicContact CE2-CE1 3.86Å; R610-Y614 HydrophobicContact CB-CE1 4.2Å; C612-Y614 WeakPolarHBondContact O-CD2 3.32Å; C612-Y614 WeakPolarHBondContact O-CE2 3.19Å; Y614-M616 HydrophobicContact CD1-CE 4.16Å; Y614-M616 HydrophobicContact CG-CE 4.24Å
615I97.9Very high93.3Very high0 Ų032.4 Ų32.40%017%0.167CC..EExtended strand (participates in β ladder)trans-115.4118.6166.7-46.6-173.7000107.8I432 I577 F578 L579 I603 Q639 A641 F643I432-I615 HydrophobicContact CG2-CD1 4.44Å; I432-I615 HydrophobicContact CG2-CG1 4.26Å; I577-I615 HydrophobicContact CG2-CG2 4.21Å; F578-I615 VanDerWaalsContact O-CA 3.32Å; F578-I615 WeakPolarHBondContact O-CA 3.46Å; L579-I615 HydrophobicContact CD2-CB 4.42Å; L579-I615 HydrophobicContact CD2-CD1 4.07Å; L579-I615 HydrophobicContact CD2-CG1 3.9Å; L579-I615 HydrophobicContact CD2-CG2 3.97Å; I603-I615 HydrophobicContact CB-CB 4.36Å; I603-I615 WeakPolarHBondContact CB-O 3.22Å; I603-I615 HydrophobicContact CG2-CB 4.03Å; I603-I615 VanDerWaalsContact CG2-O 3.31Å; I603-I615 WeakPolarHBondContact CG2-O 3.26Å; I603-I615 PolarHBondContact N-O 2.81Å; I615-Q639 HydrophobicContact CD1-CB 4.09Å; I615-Q639 HydrophobicContact CG1-CB 4.38Å; I615-A641 HydrophobicContact CB-CB 4.44Å; I615-A641 HydrophobicContact CD1-CB 3.79Å; I615-A641 HydrophobicContact CG2-CB 3.88Å; I615-F643 HydrophobicContact CG2-CE2 4.23Å; I615-F643 HydrophobicContact CG2-CZ 3.97Å
616M98.1Very high93.5Very high0 Ų029.2 Ų29.20%015%0.145CC..EExtended strand (participates in β ladder)trans-124.6162.3175.8-49.9176179.400110F578 Y591 L594 T595 V600 K601 Y614F578-M616 HydrophobicContact CB-CB 3.99Å; F578-M616 HydrophobicContact CD1-CB 4.03Å; F578-M616 HydrophobicContact CD1-CG 3.87Å; F578-M616 HydrophobicContact CD1-SD 3.93Å; F578-M616 HydrophobicContact CE1-SD 4.3Å; F578-M616 HydrophobicContact CG-CB 4.47Å; F578-M616 PolarHBondContact N-O 3.46Å; F578-M616 PolarHBondContact O-N 3.32Å; Y591-M616 HydrophobicContact CD2-CE 3.69Å; Y591-M616 HydrophobicContact CE2-CE 3.69Å; L594-M616 HydrophobicContact CB-CE 4.34Å; L594-M616 HydrophobicContact CB-SD 4.07Å; T595-M616 HydrophobicContact CG2-CE 3.85Å; T595-M616 HydrophobicContact CG2-SD 3.75Å; V600-M616 HydrophobicContact CB-CB 4.02Å; V600-M616 HydrophobicContact CG2-CB 3.71Å; V600-M616 HydrophobicContact CG2-CG 4.35Å; V600-M616 HydrophobicContact CG2-SD 3.72Å; K601-M616 CarbonylContact O-C 3.57Å; K601-M616 WeakPolarHBondContact O-CA 3.3Å; K601-M616 VanDerWaalsContact O-CB 3.3Å; K601-M616 WeakPolarHBondContact O-CB 3.39Å; Y614-M616 HydrophobicContact CD1-CE 4.16Å; Y614-M616 HydrophobicContact CG-CE 4.24Å
617Y98.1Very high93.8Very high3 Ų325.4 Ų25.41%0.01212%0.121CC..EExtended strand (participates in β ladder)trans-154.2157.8-17568.7-77.1000113.7V576 K601 I603 L620 R622 F643 D654V576-Y617 CarbonylContact O-C 3.58Å; V576-Y617 WeakPolarHBondContact O-CA 3.16Å; K601-Y617 HydrophobicContact CB-CD1 4.4Å; K601-Y617 HydrophobicContact CB-CE1 4Å; K601-Y617 PolarHBondContact N-O 3.17Å; K601-Y617 VanDerWaalsContact O-CD1 3.28Å; K601-Y617 WeakPolarHBondContact O-CD1 3.27Å; K601-Y617 PolarHBondContact O-N 2.96Å; I603-Y617 HydrophobicContact CD1-CE1 4.32Å; Y617-L620 HydrophobicContact CD2-CB 4Å; Y617-L620 WeakPolarHBondContact CE2-O 3.36Å; Y617-R622 HydrophobicContact CE1-CB 4.22Å; Y617-R622 HydrophobicContact CE2-CB 4.38Å; Y617-R622 VanDerWaalsContact OH-CD 3.22Å; Y617-R622 WeakPolarHBondContact OH-CD 3.47Å; Y617-R622 WeakPolarHBondContact OH-CG 3.22Å; Y617-F643 AromaticContact CD1-CE1 3.58Å; Y617-F643 HydrophobicContact CD1-CE1 3.58Å; Y617-F643 HydrophobicContact CD1-CZ 4.21Å; Y617-F643 HydrophobicContact CD2-CD1 4.28Å; Y617-F643 HydrophobicContact CD2-CE1 4.04Å; Y617-F643 HydrophobicContact CE1-CE1 4.2Å; Y617-F643 HydrophobicContact CG-CD1 4.16Å; Y617-F643 AromaticContact CG-CE1 3.49Å; Y617-F643 HydrophobicContact CG-CE1 3.49Å; Y617-F643 VanDerWaalsContact CG-CE1 3.49Å; Y617-F643 HydrophobicContact CG-CZ 4.24Å; Y617-D654 WeakPolarHBondContact CE2-OD2 3.37Å; Y617-D654 PolarHBondContact OH-OD2 3.3Å
618R97.2Very high93.9Very high47 Ų4725.4 Ų25.418%0.17712%0.121CC..EExtended strand (participates in β ladder)trans-142141.8167.6171.2-177.864.9-127.26.6110L569 S572 Q575 V576 G598 N599 V600 L620L569-R618 PolarHBondContact O-NH1 3.43Å; L569-R618 PolarHBondContact O-NH2 3.33Å; S572-R618 PolarHBondContact O-NH2 2.88Å; Q575-R618 WeakPolarHBondContact CA-O 3.44Å; V576-R618 HydrophobicContact CG1-CB 3.77Å; V576-R618 PolarHBondContact N-O 3.43Å; V576-R618 PolarHBondContact O-N 3.36Å; G598-R618 PolarHBondContact O-NH1 2.91Å; N599-R618 VanDerWaalsContact O-CD 3.3Å; N599-R618 WeakPolarHBondContact O-CD 3.43Å; N599-R618 PolarHBondContact O-NH1 2.95Å; V600-R618 HydrophobicContact CG1-CB 4.18Å; R618-L620 VanDerWaalsContact C-N 3.31Å; R618-L620 PolarHBondContact O-N 3.02Å
619G95.6Very high94Very high18 Ų1818.9 Ų18.919%0.1869%0.091CC..SBendtrans78.511.1175.500000114.9Q575 P646Q575-G619 WeakPolarHBondContact CG-O 3.24Å; G619-P646 WeakPolarHBondContact O-CD 3.3Å; G619-P646 VanDerWaalsContact O-CG 3.3Å; G619-P646 WeakPolarHBondContact O-CG 3.47Å
620L96.4Very high93.7Very high1 Ų115.2 Ų15.21%0.0057%0.07CC..SBendtrans-121.9161.2-179.2-64.2167.1000110.9Q575 I577 Y617 R618 F643 I645 F652Q575-L620 HydrophobicContact CB-CD1 4.49Å; Q575-L620 HydrophobicContact CB-CD2 3.85Å; Q575-L620 HydrophobicContact CB-CG 3.92Å; Q575-L620 HydrophobicContact CG-CD2 3.95Å; Q575-L620 HydrophobicContact CG-CG 4.26Å; I577-L620 HydrophobicContact CD1-CD1 3.72Å; I577-L620 HydrophobicContact CG1-CD1 3.33Å; Y617-L620 HydrophobicContact CD2-CB 4Å; Y617-L620 WeakPolarHBondContact CE2-O 3.36Å; R618-L620 VanDerWaalsContact C-N 3.31Å; R618-L620 PolarHBondContact O-N 3.02Å; L620-F643 HydrophobicContact CB-CB 4.17Å; L620-F643 HydrophobicContact CB-CD1 4.09Å; L620-F643 HydrophobicContact CB-CG 4.4Å; L620-F643 HydrophobicContact CD1-CB 4.1Å; L620-F643 HydrophobicContact CD1-CD1 4.28Å; L620-F643 HydrophobicContact CD1-CG 4.06Å; L620-I645 HydrophobicContact CD2-CB 4.32Å; L620-I645 HydrophobicContact CD2-CG1 3.98Å; L620-I645 HydrophobicContact CD2-CG2 4.46Å; L620-F652 WeakPolarHBondContact O-CE2 3.47Å
621I97.1Very high93.1Very high20 Ų2015.1 Ų15.110%0.1037%0.07CC..EExtended strand (participates in β ladder)trans-99.9118.1171.7-58.2166.1000107.7L623 F643 R644 P646 F652 D654 N655I621-L623 HydrophobicContact CG2-CD2 4.45Å; I621-F643 CarbonylContact O-C 3.37Å; I621-F643 VanDerWaalsContact O-CA 3.32Å; I621-F643 WeakPolarHBondContact O-CA 3.46Å; I621-R644 HydrophobicContact CB-CB 4.2Å; I621-R644 PolarHBondContact N-O 2.92Å; I621-R644 PolarHBondContact O-N 3.22Å; I621-P646 HydrophobicContact CD1-CB 4.48Å; I621-F652 HydrophobicContact CD1-CD2 4.38Å; I621-F652 HydrophobicContact CG1-CD2 3.67Å; I621-F652 HydrophobicContact CG1-CE2 4.27Å; I621-D654 WeakPolarHBondContact CA-OD1 3.49Å; I621-N655 HydrophobicContact CG2-CB 4.44Å
622R96.2Very high93Very high25 Ų2512.6 Ų12.69%0.0946%0.064CC..EExtended strand (participates in β ladder)trans-70.6140.4176.661.2173.2174.6-171.3-2111.1I603 Y617 F643 D654 N655 F698I603-R622 HydrophobicContact CD1-CB 3.71Å; I603-R622 PolarHBondContact O-NH1 3.29Å; Y617-R622 HydrophobicContact CE1-CB 4.22Å; Y617-R622 HydrophobicContact CE2-CB 4.38Å; Y617-R622 VanDerWaalsContact OH-CD 3.22Å; Y617-R622 WeakPolarHBondContact OH-CD 3.47Å; Y617-R622 WeakPolarHBondContact OH-CG 3.22Å; R622-F643 HydrophobicContact CB-CD1 4.39Å; R622-F643 HydrophobicContact CB-CE1 4.37Å; R622-D654 WeakPolarHBondContact CG-OD1 3.39Å; R622-D654 PolarHBondContact N-OD1 3Å; R622-N655 HydrophobicContact CG-CB 4.49Å; R622-N655 PolarHBondContact NE-O 3.43Å; R622-N655 PolarHBondContact NH2-O 3.48Å; R622-N655 PolarHBondContact O-ND2 3.25Å; R622-F698 HydrophobicContact CB-CD2 4.25Å; R622-F698 HydrophobicContact CG-CB 3.84Å; R622-F698 HydrophobicContact CG-CD1 4.35Å; R622-F698 HydrophobicContact CG-CD2 4.04Å; R622-F698 HydrophobicContact CG-CG 3.83Å
623L96.8Very high92.9Very high3 Ų311.5 Ų11.52%0.0166%0.056CC..EExtended strand (participates in β ladder)trans-122.7-34.4-177.7-61.9178.8000113E427 I621 K642 R644 I669 Y697 F698E427-L623 HydrophobicContact CB-CD1 4.43Å; E427-L623 HydrophobicContact CG-CD1 3.73Å; I621-L623 HydrophobicContact CG2-CD2 4.45Å; L623-K642 HydrophobicContact CB-CB 4.04Å; L623-K642 WeakPolarHBondContact CB-O 3.45Å; L623-K642 PolarHBondContact N-O 3.49Å; L623-R644 HydrophobicContact CD1-CB 3.92Å; L623-R644 HydrophobicContact CD2-CB 4.26Å; L623-R644 HydrophobicContact CG-CB 4.21Å; L623-I669 HydrophobicContact CB-CD1 4.36Å; L623-I669 HydrophobicContact CB-CG2 4.43Å; L623-I669 HydrophobicContact CD1-CG2 3.85Å; L623-Y697 WeakPolarHBondContact O-CA 3.39Å; L623-F698 PolarHBondContact O-N 3.48Å
624G96.1Very high92.5Very high0 Ų011.1 Ų11.10%06%0.055CC..EExtended strand (participates in β ladder)trans-168.4160.817700000113.5A641 K642 K696G624-A641 CarbonylContact O-C 3.53Å; G624-A641 VanDerWaalsContact O-CA 3.27Å; G624-A641 WeakPolarHBondContact O-CA 3.42Å; G624-K642 PolarHBondContact N-O 2.98Å; G624-K642 PolarHBondContact O-N 3.44Å; G624-K696 CarbonylContact C-O 3.55Å; G624-K696 WeakPolarHBondContact CA-O 3.29Å
625Y96.3Very high91.8Very high0 Ų015.3 Ų15.30%08%0.077CC..EExtended strand (participates in β ladder)trans-140.3134.7178.8177.3-123.8000110.1I603 D604 R610 R627 Q639 M640 T694 P695 K696I603-Y625 HydrophobicContact CB-CD2 4.45Å; I603-Y625 HydrophobicContact CG1-CD2 3.95Å; I603-Y625 HydrophobicContact CG1-CG 3.99Å; I603-Y625 HydrophobicContact CG2-CD1 4.49Å; I603-Y625 HydrophobicContact CG2-CD2 3.6Å; I603-Y625 HydrophobicContact CG2-CE2 3.78Å; I603-Y625 HydrophobicContact CG2-CG 4Å; D604-Y625 HydrophobicContact CB-CD1 3.92Å; D604-Y625 HydrophobicContact CB-CE1 4.29Å; R610-Y625 WeakPolarHBondContact CD-OH 3.36Å; Y625-R627 HydrophobicContact CE1-CG 4.13Å; Y625-R627 WeakPolarHBondContact OH-CD 3.49Å; Y625-R627 VanDerWaalsContact OH-CG 3.31Å; Y625-R627 WeakPolarHBondContact OH-CG 3.46Å; Y625-Q639 HydrophobicContact CE2-CB 4.35Å; Y625-Q639 PolarHBondContact OH-OE1 3.34Å; Y625-M640 CarbonylContact C-O 3.39Å; Y625-M640 WeakPolarHBondContact CA-O 3.5Å; Y625-M640 WeakPolarHBondContact CD2-O 3.47Å; Y625-T694 HydrophobicContact CD1-CG2 3.96Å; Y625-T694 HydrophobicContact CE1-CG2 3.92Å; Y625-P695 CarbonylContact O-C 3.59Å; Y625-P695 WeakPolarHBondContact O-CA 3.42Å; Y625-K696 PolarHBondContact N-O 3.03Å; Y625-K696 PolarHBondContact O-N 3.18Å
626A95.3Very high91.3Very high0 Ų016.2 Ų16.20%08%0.083CC..EExtended strand (participates in β ladder)trans-142.2143.3179.900000111.4M640 F671 F690 P695A626-M640 PolarHBondContact N-O 3.13Å; A626-M640 PolarHBondContact O-N 3.49Å; A626-F671 HydrophobicContact CB-CD1 3.91Å; A626-F671 HydrophobicContact CB-CD2 4.07Å; A626-F671 HydrophobicContact CB-CE1 3.79Å; A626-F671 HydrophobicContact CB-CE2 3.95Å; A626-F671 HydrophobicContact CB-CG 4.05Å; A626-F671 HydrophobicContact CB-CZ 3.8Å; A626-F690 HydrophobicContact CB-CD1 4.02Å; A626-F690 HydrophobicContact CB-CE1 3.85Å; A626-P695 HydrophobicContact CB-CB 4.23Å
627R93.6Very high90.9Very high6 Ų617 Ų172%0.0239%0.087CC..EExtended strand (participates in β ladder)trans-115.5124.1169.9-63172.467.3174.6-0.4107.9D607 Y625 E637 I638 Q639 F690 H691 T694D607-R627 IonicContact OD1-NH1 2.88Å; D607-R627 PolarHBondContact OD1-NH1 3.43Å; D607-R627 VanDerWaalsContact OD1-NH1 3.1Å; D607-R627 VanDerWaalsContact OD2-CD 3.24Å; D607-R627 WeakPolarHBondContact OD2-CD 3.5Å; D607-R627 IonicContact OD2-CZ 3.62Å; D607-R627 IonicContact OD2-NE 2.66Å; D607-R627 IonicContact OD2-NH1 3.52Å; D607-R627 PolarHBondContact OD2-NH1 3.35Å; Y625-R627 HydrophobicContact CE1-CG 4.13Å; Y625-R627 WeakPolarHBondContact OH-CD 3.49Å; Y625-R627 VanDerWaalsContact OH-CG 3.31Å; Y625-R627 WeakPolarHBondContact OH-CG 3.46Å; R627-E637 IonicContact CZ-OE1 3.7Å; R627-E637 IonicContact CZ-OE2 3.55Å; R627-E637 IonicContact NE-OE1 2.68Å; R627-E637 PolarHBondContact NE-OE1 3.37Å; R627-E637 IonicContact NE-OE2 3.1Å; R627-E637 PolarHBondContact NE-OE2 2.64Å; R627-E637 VanDerWaalsContact NH2-CD 3.28Å; R627-E637 IonicContact NH2-OE1 3.41Å; R627-E637 PolarHBondContact NH2-OE1 3.49Å; R627-E637 IonicContact NH2-OE2 2.82Å; R627-E637 PolarHBondContact NH2-OE2 3.18Å; R627-I638 CarbonylContact C-O 3.35Å; R627-I638 WeakPolarHBondContact CA-O 3.41Å; R627-Q639 HydrophobicContact CG-CG 4.24Å; R627-F690 WeakPolarHBondContact O-CA 3.31Å; R627-H691 VanDerWaalsContact CB-CD2 3.45Å; R627-H691 WeakPolarHBondContact CB-CD2 3.2Å; R627-H691 PolarHBondContact O-N 3.11Å; R627-H691 VanDerWaalsContact O-N 3.11Å; R627-T694 HydrophobicContact CB-CG2 4.39Å; R627-T694 HydrophobicContact CG-CG2 4.06Å; R627-T694 PolarHBondContact N-OG1 3.09Å; R627-T694 PolarHBondContact O-OG1 3.25Å
628I93Very high90.7Very high1 Ų116.9 Ų16.91%0.0059%0.086CC..EExtended strand (participates in β ladder)trans-112.4122.7-177.8-56.6166.2000107.6L453 T457 E637 I638 F675 H688 F690L453-I628 HydrophobicContact CD1-CG2 4.33Å; T457-I628 HydrophobicContact CG2-CD1 3.87Å; I628-E637 WeakPolarHBondContact O-CA 3.37Å; I628-E637 WeakPolarHBondContact O-CB 3.36Å; I628-I638 HydrophobicContact CB-CB 4.25Å; I628-I638 PolarHBondContact N-O 3.16Å; I628-I638 PolarHBondContact O-N 3.42Å; I628-F675 HydrophobicContact CD1-CD2 4.14Å; I628-F675 HydrophobicContact CD1-CE1 4.37Å; I628-F675 HydrophobicContact CD1-CE2 3.78Å; I628-F675 HydrophobicContact CD1-CZ 3.92Å; I628-F675 HydrophobicContact CG1-CD2 4.49Å; I628-F675 HydrophobicContact CG2-CD1 3.8Å; I628-F675 HydrophobicContact CG2-CE1 3.79Å; I628-F675 HydrophobicContact CG2-CG 4.42Å; I628-F675 HydrophobicContact CG2-CZ 4.39Å; I628-H688 HydrophobicContact CG2-CB 4.02Å; I628-F690 HydrophobicContact CG1-CD1 4Å; I628-F690 HydrophobicContact CG1-CE1 4.07Å
629S89Confident90.6Very high0 Ų014.7 Ų14.70%08%0.078CC..  trans-57.5147.2-179.9480000113.1A631 N683 H688 H689S629-A631 PolarHBondContact O-N 3.39Å; S629-N683 PolarHBondContact OG-ND2 2.99Å; S629-H688 PolarHBondContact O-ND1 3.18Å; S629-H689 PolarHBondContact N-O 3.05Å; S629-H689 PolarHBondContact OG-N 2.86Å; S629-H689 PolarHBondContact OG-O 3.35Å
630H80.9Confident90.6Very high32 Ų3214 Ų1415%0.1487%0.07CC..  trans-72.4-25.1-174.17092.1000114.5E632 L633 S634 S636 H688H630-E632 VanDerWaalsContact C-N 3.32Å; H630-E632 PolarHBondContact ND1-N 3.32Å; H630-E632 VanDerWaalsContact ND1-N 3.17Å; H630-E632 PolarHBondContact O-N 3.49Å; H630-L633 WeakPolarHBondContact O-CB 3.32Å; H630-L633 PolarHBondContact O-N 3.49Å; H630-S634 WeakPolarHBondContact CB-O 3.31Å; H630-S634 VanDerWaalsContact CG-O 3.29Å; H630-S634 PolarHBondContact ND1-O 3.3Å; H630-S636 WeakPolarHBondContact CB-O 3.15Å; H630-H688 PolarHBondContact O-CE1 3.49Å; H630-H688 VanDerWaalsContact O-CE1 3.23Å
631A76.8Confident90.7Very high3 Ų313.9 Ų13.93%0.0257%0.07CC..THydrogen-bonded Turntrans37.656.2-179.100000113.9S629 L633 H688S629-A631 PolarHBondContact O-N 3.39Å; A631-L633 PolarHBondContact O-N 2.96Å; A631-H688 VanDerWaalsContact CB-CE1 3.45Å; A631-H688 WeakPolarHBondContact CB-CE1 3.14Å; A631-H688 WeakPolarHBondContact CB-ND1 3.33Å
632E81.6Confident90.7Very high72 Ų7214.6 Ų14.634%0.3367%0.072SC..THydrogen-bonded Turntrans67.3-7.3178.6-55.4175.9177.400116.9D440 N441 H630 S634 N686D440-E632 WeakPolarHBondContact CB-O 3.41Å; N441-E632 PolarHBondContact N-O 3.43Å; N441-E632 VanDerWaalsContact N-O 3.11Å; H630-E632 VanDerWaalsContact C-N 3.32Å; H630-E632 PolarHBondContact ND1-N 3.32Å; H630-E632 VanDerWaalsContact ND1-N 3.17Å; H630-E632 PolarHBondContact O-N 3.49Å; E632-S634 VanDerWaalsContact C-N 3.34Å; E632-N686 VanDerWaalsContact CD-ND2 3.31Å; E632-N686 PolarHBondContact OE1-ND2 2.85Å; E632-N686 PolarHBondContact OE2-ND2 2.99Å; E632-N686 PolarHBondContact OE2-OD1 3.06Å
633L85.8Confident90.8Very high3 Ų313.4 Ų13.42%0.0167%0.067CC..SBendtrans-74-25.5-179-65.4-172.5000114.2W433 R449 L453 H630 A631 H688W433-L633 HydrophobicContact CH2-CB 4.15Å; W433-L633 HydrophobicContact CH2-CD1 4.41Å; W433-L633 HydrophobicContact CZ2-CB 4.03Å; R449-L633 HydrophobicContact CB-CD1 3.98Å; R449-L633 HydrophobicContact CB-CD2 3.56Å; R449-L633 HydrophobicContact CB-CG 4.46Å; R449-L633 HydrophobicContact CG-CD2 4.28Å; R449-L633 VanDerWaalsContact CZ-CD2 3.5Å; L453-L633 HydrophobicContact CB-CD1 4.43Å; L453-L633 HydrophobicContact CD2-CD1 3.99Å; H630-L633 WeakPolarHBondContact O-CB 3.32Å; H630-L633 PolarHBondContact O-N 3.49Å; A631-L633 PolarHBondContact O-N 2.96Å; L633-H688 WeakPolarHBondContact CD1-NE2 3.38Å
634S84.9Confident90.7Very high0 Ų017.3 Ų17.30%08%0.082CC..  trans-148.2174173.5-175.90000108P434 N441 H630 E632 S636P434-S634 PolarHBondContact O-OG 3.45Å; N441-S634 PolarHBondContact ND2-O 2.86Å; N441-S634 PolarHBondContact OD1-O 3Å; H630-S634 WeakPolarHBondContact CB-O 3.31Å; H630-S634 VanDerWaalsContact CG-O 3.29Å; H630-S634 PolarHBondContact ND1-O 3.3Å; E632-S634 VanDerWaalsContact C-N 3.34Å; S634-S636 VanDerWaalsContact C-N 3.31Å; S634-S636 PolarHBondContact OG-N 3.45Å
635D80.9Confident90.7Very high88 Ų8817.4 Ų17.447%0.4718%0.082SC..SBendtrans-82.2-14.7166.957.810.7000112.4
636S86.9Confident90.6Very high18 Ų1817.8 Ų17.813%0.1269%0.085CC..SBendtrans-115.9143.3-173.8-58.80000111.8W433 H630 S634W433-S636 PolarHBondContact NE1-O 3.41Å; H630-S636 WeakPolarHBondContact CB-O 3.15Å; S634-S636 VanDerWaalsContact C-N 3.31Å; S634-S636 PolarHBondContact OG-N 3.45Å
637E90.3Very high90.3Very high17 Ų1723.2 Ų23.28%0.07911%0.114CC..PPolyproline II helixtrans-67.4169.6173.964.3-172.6-146.700112.1W433 E613 R627 I628 Q639 H691W433-E637 VanDerWaalsContact CD1-O 3.25Å; E613-E637 WeakPolarHBondContact OE2-CG 3.45Å; R627-E637 IonicContact CZ-OE1 3.7Å; R627-E637 IonicContact CZ-OE2 3.55Å; R627-E637 IonicContact NE-OE1 2.68Å; R627-E637 PolarHBondContact NE-OE1 3.37Å; R627-E637 IonicContact NE-OE2 3.1Å; R627-E637 PolarHBondContact NE-OE2 2.64Å; R627-E637 VanDerWaalsContact NH2-CD 3.28Å; R627-E637 IonicContact NH2-OE1 3.41Å; R627-E637 PolarHBondContact NH2-OE1 3.49Å; R627-E637 IonicContact NH2-OE2 2.82Å; R627-E637 PolarHBondContact NH2-OE2 3.18Å; I628-E637 WeakPolarHBondContact O-CA 3.37Å; I628-E637 WeakPolarHBondContact O-CB 3.36Å; E637-Q639 HydrophobicContact CG-CG 4.41Å; E637-Q639 PolarHBondContact OE1-NE2 3.31Å; E637-H691 IonicContact OE2-CD2 3.56Å; E637-H691 IonicContact OE2-CE1 2.96Å; E637-H691 PolarHBondContact OE2-CE1 3.24Å; E637-H691 IonicContact OE2-NE2 2.71Å; E637-H691 PolarHBondContact OE2-NE2 3.46Å
638I93.9Very high90.1Very high0 Ų026.3 Ų26.30%013%0.131CC..EExtended strand (participates in β ladder)trans-100.7128.9166.6-60.2177.2000107.9A431 W433 L453 L454 T457 R627 I628A431-I638 HydrophobicContact CB-CG2 4.23Å; W433-I638 HydrophobicContact CB-CG1 4Å; W433-I638 HydrophobicContact CD2-CD1 3.93Å; W433-I638 HydrophobicContact CD2-CG1 3.73Å; W433-I638 HydrophobicContact CE3-CD1 4.06Å; W433-I638 HydrophobicContact CE3-CG1 4.36Å; W433-I638 HydrophobicContact CG-CD1 4.22Å; W433-I638 HydrophobicContact CG-CG1 3.55Å; W433-I638 HydrophobicContact CZ3-CD1 4.45Å; L453-I638 HydrophobicContact CD2-CD1 3.43Å; L453-I638 VanDerWaalsContact CD2-CD1 3.43Å; L453-I638 HydrophobicContact CG-CD1 3.77Å; L454-I638 HydrophobicContact CD2-CD1 4.36Å; T457-I638 HydrophobicContact CG2-CD1 4.43Å; R627-I638 CarbonylContact C-O 3.35Å; R627-I638 WeakPolarHBondContact CA-O 3.41Å; I628-I638 HydrophobicContact CB-CB 4.25Å; I628-I638 PolarHBondContact N-O 3.16Å; I628-I638 PolarHBondContact O-N 3.42Å
639Q95.4Very high89.8Confident2 Ų229.5 Ų29.51%0.00915%0.152CC..EExtended strand (participates in β ladder)trans-101.5137.9166-59.7-160.514.400111.1A431 I432 E613 I615 Y625 R627 E637A431-Q639 CarbonylContact C-O 3.26Å; A431-Q639 VanDerWaalsContact CA-O 3.24Å; A431-Q639 WeakPolarHBondContact CA-O 3.44Å; I432-Q639 HydrophobicContact CG2-CB 3.86Å; I432-Q639 PolarHBondContact N-O 3.01Å; I432-Q639 PolarHBondContact O-N 3.48Å; E613-Q639 HydrophobicContact CB-CG 4.07Å; E613-Q639 PolarHBondContact O-NE2 3.46Å; E613-Q639 VanDerWaalsContact O-NE2 3.14Å; E613-Q639 PolarHBondContact O-OE1 2.9Å; I615-Q639 HydrophobicContact CD1-CB 4.09Å; I615-Q639 HydrophobicContact CG1-CB 4.38Å; Y625-Q639 HydrophobicContact CE2-CB 4.35Å; Y625-Q639 PolarHBondContact OH-OE1 3.34Å; R627-Q639 HydrophobicContact CG-CG 4.24Å; E637-Q639 HydrophobicContact CG-CG 4.41Å; E637-Q639 PolarHBondContact OE1-NE2 3.31Å
640M96.3Very high89.6Confident2 Ų235.7 Ų35.71%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-138139.6-178-172.8-177.2-179.600111.4A430 A431 T457 A459 Y625 A626 F671A430-M640 CarbonylContact O-C 3.54Å; A430-M640 VanDerWaalsContact O-CA 3.3Å; A430-M640 WeakPolarHBondContact O-CA 3.3Å; A430-M640 WeakPolarHBondContact O-CG 3.32Å; A431-M640 HydrophobicContact CB-CB 4.32Å; A431-M640 HydrophobicContact CB-CG 4.24Å; T457-M640 WeakPolarHBondContact O-CE 3.29Å; A459-M640 HydrophobicContact CB-CE 3.84Å; Y625-M640 CarbonylContact C-O 3.39Å; Y625-M640 WeakPolarHBondContact CA-O 3.5Å; Y625-M640 WeakPolarHBondContact CD2-O 3.47Å; A626-M640 PolarHBondContact N-O 3.13Å; A626-M640 PolarHBondContact O-N 3.49Å; M640-F671 HydrophobicContact CB-CE1 4.45Å; M640-F671 HydrophobicContact CE-CD1 4.49Å; M640-F671 HydrophobicContact CE-CE1 4.42Å; M640-F671 HydrophobicContact CG-CE1 4.04Å; M640-F671 HydrophobicContact SD-CD1 3.96Å; M640-F671 HydrophobicContact SD-CE1 3.94Å
641A97.6Very high90.1Very high0 Ų040.3 Ų40.30%022%0.215CC..EExtended strand (participates in β ladder)trans-130.7156173.600000112S429 A430 I603 I615 G624 F643S429-A641 CarbonylContact C-O 3.44Å; S429-A641 VanDerWaalsContact CA-O 3.28Å; S429-A641 WeakPolarHBondContact CA-O 3.24Å; A430-A641 PolarHBondContact N-O 3.39Å; A430-A641 PolarHBondContact O-N 3.05Å; I603-A641 HydrophobicContact CD1-CB 4.05Å; I603-A641 HydrophobicContact CG1-CB 4.02Å; I615-A641 HydrophobicContact CB-CB 4.44Å; I615-A641 HydrophobicContact CD1-CB 3.79Å; I615-A641 HydrophobicContact CG2-CB 3.88Å; G624-A641 CarbonylContact O-C 3.53Å; G624-A641 VanDerWaalsContact O-CA 3.27Å; G624-A641 WeakPolarHBondContact O-CA 3.42Å; A641-F643 HydrophobicContact CB-CD2 4.44Å; A641-F643 HydrophobicContact CB-CE2 3.53Å; A641-F643 HydrophobicContact CB-CZ 3.62Å
642K97.4Very high90.9Very high34 Ų3443.4 Ų43.415%0.14823%0.228CC..EExtended strand (participates in β ladder)trans-121.1137172.9-66.4-170.7177.7-1740110.4L623 G624 I669 H670 F671L623-K642 HydrophobicContact CB-CB 4.04Å; L623-K642 WeakPolarHBondContact CB-O 3.45Å; L623-K642 PolarHBondContact N-O 3.49Å; G624-K642 PolarHBondContact N-O 2.98Å; G624-K642 PolarHBondContact O-N 3.44Å; K642-I669 WeakPolarHBondContact CD-O 3.43Å; K642-I669 PolarHBondContact NZ-O 3.46Å; K642-H670 PolarHBondContact NZ-O 3.29Å; K642-F671 HydrophobicContact CD-CE1 4.19Å; K642-F671 HydrophobicContact CD-CZ 4.4Å; K642-F671 HydrophobicContact CG-CE1 3.92Å; K642-F671 HydrophobicContact CG-CZ 4.12Å
643F97.3Very high91.4Very high0 Ų050.2 Ų50.20%025%0.251CS..EExtended strand (participates in β ladder)trans-131.3150.7-178.9-57.7-79.8000110.9E427 V428 I577 I603 I615 Y617 L620 I621 R622 A641E427-F643 CarbonylContact C-O 3.53Å; E427-F643 WeakPolarHBondContact CA-O 3.47Å; V428-F643 HydrophobicContact CG1-CB 4.04Å; V428-F643 PolarHBondContact N-O 2.81Å; V428-F643 PolarHBondContact O-N 2.84Å; I577-F643 HydrophobicContact CD1-CD2 3.58Å; I577-F643 HydrophobicContact CD1-CE2 3.9Å; I577-F643 HydrophobicContact CD1-CG 4.33Å; I577-F643 HydrophobicContact CG1-CD2 4.18Å; I577-F643 HydrophobicContact CG1-CE2 4.16Å; I577-F643 HydrophobicContact CG2-CE2 4.06Å; I603-F643 HydrophobicContact CD1-CE1 3.77Å; I603-F643 HydrophobicContact CD1-CZ 3.97Å; I615-F643 HydrophobicContact CG2-CE2 4.23Å; I615-F643 HydrophobicContact CG2-CZ 3.97Å; Y617-F643 AromaticContact CD1-CE1 3.58Å; Y617-F643 HydrophobicContact CD1-CE1 3.58Å; Y617-F643 HydrophobicContact CD1-CZ 4.21Å; Y617-F643 HydrophobicContact CD2-CD1 4.28Å; Y617-F643 HydrophobicContact CD2-CE1 4.04Å; Y617-F643 HydrophobicContact CE1-CE1 4.2Å; Y617-F643 HydrophobicContact CG-CD1 4.16Å; Y617-F643 AromaticContact CG-CE1 3.49Å; Y617-F643 HydrophobicContact CG-CE1 3.49Å; Y617-F643 VanDerWaalsContact CG-CE1 3.49Å; Y617-F643 HydrophobicContact CG-CZ 4.24Å; L620-F643 HydrophobicContact CB-CB 4.17Å; L620-F643 HydrophobicContact CB-CD1 4.09Å; L620-F643 HydrophobicContact CB-CG 4.4Å; L620-F643 HydrophobicContact CD1-CB 4.1Å; L620-F643 HydrophobicContact CD1-CD1 4.28Å; L620-F643 HydrophobicContact CD1-CG 4.06Å; I621-F643 CarbonylContact O-C 3.37Å; I621-F643 VanDerWaalsContact O-CA 3.32Å; I621-F643 WeakPolarHBondContact O-CA 3.46Å; R622-F643 HydrophobicContact CB-CD1 4.39Å; R622-F643 HydrophobicContact CB-CE1 4.37Å; A641-F643 HydrophobicContact CB-CD2 4.44Å; A641-F643 HydrophobicContact CB-CE2 3.53Å; A641-F643 HydrophobicContact CB-CZ 3.62Å
644R96.1Very high91.8Very high86 Ų8650.7 Ų50.733%0.32525%0.254SS..EExtended strand (participates in β ladder)trans-105.2132164.1-177.3177.3-63.4133.14.6109.4K426 E427 I621 L623 P646K426-R644 WeakPolarHBondContact O-CA 3.33Å; E427-R644 HydrophobicContact CG-CB 4.2Å; E427-R644 HydrophobicContact CG-CG 4.33Å; E427-R644 IonicContact OE1-CZ 3.48Å; E427-R644 IonicContact OE1-NE 2.82Å; E427-R644 PolarHBondContact OE1-NE 3.4Å; E427-R644 IonicContact OE1-NH2 3.3Å; E427-R644 PolarHBondContact OE1-NH2 3.01Å; I621-R644 HydrophobicContact CB-CB 4.2Å; I621-R644 PolarHBondContact N-O 2.92Å; I621-R644 PolarHBondContact O-N 3.22Å; L623-R644 HydrophobicContact CD1-CB 3.92Å; L623-R644 HydrophobicContact CD2-CB 4.26Å; L623-R644 HydrophobicContact CG-CB 4.21Å; R644-P646 WeakPolarHBondContact O-CD 3.3Å
645I95.4Very high92.3Very high2 Ų251.8 Ų51.81%0.0126%0.259CS..  trans-80.6117.1173.4-51.3171.4000107.5K426 V428 I537 K540 V542 L620K426-I645 PolarHBondContact O-N 2.95Å; V428-I645 HydrophobicContact CG1-CG1 4.37Å; I537-I645 HydrophobicContact CB-CD1 3.89Å; I537-I645 HydrophobicContact CD1-CD1 4.26Å; I537-I645 HydrophobicContact CG2-CD1 3.76Å; K540-I645 HydrophobicContact CB-CG2 4.33Å; K540-I645 HydrophobicContact CD-CB 4.27Å; K540-I645 HydrophobicContact CD-CG2 3.49Å; K540-I645 VanDerWaalsContact CD-CG2 3.49Å; V542-I645 HydrophobicContact CG2-CD1 3.72Å; V542-I645 HydrophobicContact CG2-CG1 4.22Å; L620-I645 HydrophobicContact CD2-CB 4.32Å; L620-I645 HydrophobicContact CD2-CG1 3.98Å; L620-I645 HydrophobicContact CD2-CG2 4.46Å
646P93.9Very high92.7Very high8 Ų853.2 Ų53.25%0.05226%0.263CS..  trans-62.7153.6-179.526.7-33.9000111.2K540 G619 I621 R644 F652K540-P646 PolarHBondContact NZ-O 3.05Å; G619-P646 WeakPolarHBondContact O-CD 3.3Å; G619-P646 VanDerWaalsContact O-CG 3.3Å; G619-P646 WeakPolarHBondContact O-CG 3.47Å; I621-P646 HydrophobicContact CD1-CB 4.48Å; R644-P646 WeakPolarHBondContact O-CD 3.3Å; P646-F652 HydrophobicContact CB-CB 3.73Å; P646-F652 HydrophobicContact CB-CD1 4.31Å; P646-F652 HydrophobicContact CB-CG 3.95Å; P646-F652 HydrophobicContact CG-CB 4.4Å; P646-F652 HydrophobicContact CG-CD1 4.08Å; P646-F652 HydrophobicContact CG-CG 4.09Å
647D89.3Confident92.9Very high114 Ų11458.3 Ų58.361%0.6128%0.283SS*.SBendtrans-76.5-36.8173.6-71-33.8000111.1K426 K540K426-D647 VanDerWaalsContact NZ-CG 3.34Å; K426-D647 IonicContact NZ-OD1 2.96Å; K426-D647 PolarHBondContact NZ-OD1 3.2Å; K426-D647 VanDerWaalsContact NZ-OD1 3.11Å; K426-D647 IonicContact NZ-OD2 2.9Å; K426-D647 PolarHBondContact NZ-OD2 3.22Å; K540-D647 IonicContact NZ-OD1 3.48Å; K540-D647 PolarHBondContact NZ-OD1 3.4Å
648D90.3Very high93.1Very high71 Ų7160.8 Ų60.838%0.3830%0.299SS..SBendtrans-113.8108.4168.1-176.4-9.6000110T650 N651D648-T650 PolarHBondContact O-N 3Å; D648-T650 WeakPolarHBondContact OD1-CB 3.27Å; D648-T650 PolarHBondContact OD1-N 3.31Å; D648-T650 PolarHBondContact OD1-OG1 3.38Å; D648-T650 PolarHBondContact OD2-OG1 3.12Å; D648-N651 CarbonylContact O-C 3.48Å; D648-N651 PolarHBondContact O-N 3.42Å; D648-N651 PolarHBondContact OD1-N 3.41Å; D648-N651 WeakPolarHBondContact OD2-CB 3.34Å
649P85.2Confident93Very high68 Ų6861.2 Ų61.244%0.44230%0.302SS..SBendtrans-64.6-21178.3-21.934.3000114.5Q575 F652Q575-P649 VanDerWaalsContact NE2-CG 3.25Å; P649-F652 VanDerWaalsContact O-CD1 3.31Å; P649-F652 WeakPolarHBondContact O-CD1 3.41Å; P649-F652 WeakPolarHBondContact O-CE1 3.38Å
650T85.6Confident92.7Very high129 Ų12964.5 Ų64.579%0.79132%0.322SS*.SBendtrans-89.6-27.7-176.966.90000112.3D648D648-T650 PolarHBondContact O-N 3Å; D648-T650 WeakPolarHBondContact OD1-CB 3.27Å; D648-T650 PolarHBondContact OD1-N 3.31Å; D648-T650 PolarHBondContact OD1-OG1 3.38Å; D648-T650 PolarHBondContact OD2-OG1 3.12Å
651N90.6Very high92.2Very high130 Ų13066.6 Ų66.670%0.69533%0.333SS*.SBendtrans-129.879.3-177.2-170.315.5000111.1D648D648-N651 CarbonylContact O-C 3.48Å; D648-N651 PolarHBondContact O-N 3.42Å; D648-N651 PolarHBondContact OD1-N 3.41Å; D648-N651 WeakPolarHBondContact OD2-CB 3.34Å
652F93.1Very high91.6Very high68 Ų6871.6 Ų71.630%0.29836%0.356SS..  trans-136.1156173.175.9-82000111L620 I621 P646 P649 D654L620-F652 WeakPolarHBondContact O-CE2 3.47Å; I621-F652 HydrophobicContact CD1-CD2 4.38Å; I621-F652 HydrophobicContact CG1-CD2 3.67Å; I621-F652 HydrophobicContact CG1-CE2 4.27Å; P646-F652 HydrophobicContact CB-CB 3.73Å; P646-F652 HydrophobicContact CB-CD1 4.31Å; P646-F652 HydrophobicContact CB-CG 3.95Å; P646-F652 HydrophobicContact CG-CB 4.4Å; P646-F652 HydrophobicContact CG-CD1 4.08Å; P646-F652 HydrophobicContact CG-CG 4.09Å; P649-F652 VanDerWaalsContact O-CD1 3.31Å; P649-F652 WeakPolarHBondContact O-CD1 3.41Å; P649-F652 WeakPolarHBondContact O-CE1 3.38Å; F652-D654 HydrophobicContact CE2-CB 4.43Å
653R93.3Very high91.1Very high215 Ų21579.2 Ų79.281%0.81138%0.384SS*.  trans-113.5133.5173-172.3175.5179.51790.6109.4
654D94.5Very high90.7Very high13 Ų1385 Ų857%0.0741%0.411CS..  trans-89.1151.7178.2-165.513.1000111.5K601 Y617 I621 R622 F652K601-D654 IonicContact NZ-OD2 3.7Å; Y617-D654 WeakPolarHBondContact CE2-OD2 3.37Å; Y617-D654 PolarHBondContact OH-OD2 3.3Å; I621-D654 WeakPolarHBondContact CA-OD1 3.49Å; R622-D654 WeakPolarHBondContact CG-OD1 3.39Å; R622-D654 PolarHBondContact N-OD1 3Å; F652-D654 HydrophobicContact CE2-CB 4.43Å
655N94.8Very high90.4Very high23 Ų2381.3 Ų81.312%0.12340%0.398CS..  trans-78.1138.4-174.8-70.5-3.6000111.1I621 R622 F698 L699I621-N655 HydrophobicContact CG2-CB 4.44Å; R622-N655 HydrophobicContact CG-CB 4.49Å; R622-N655 PolarHBondContact NE-O 3.43Å; R622-N655 PolarHBondContact NH2-O 3.48Å; R622-N655 PolarHBondContact O-ND2 3.25Å; N655-F698 HydrophobicContact CB-CB 3.8Å; N655-F698 PolarHBondContact ND2-O 2.95Å; N655-L699 WeakPolarHBondContact CB-O 3.2Å; N655-L699 VanDerWaalsContact CG-C 3.41Å; N655-L699 PolarHBondContact OD1-OXT 3.45Å
656Q89.9Confident90.1Very high117 Ų11784.8 Ų84.855%0.54742%0.421SS..  trans-124.2-22.9-176-58.5-56.1-38.500112.8V658 L699Q656-V658 PolarHBondContact O-N 3.16Å; Q656-L699 PolarHBondContact N-O 3.06Å
657K91.6Very high89.9Confident126 Ų12693 Ų9355%0.54846%0.456SS..  trans-80.1118.4-179.2-174.4-175176.1-169.50109.2V659 F698 L699K657-V659 HydrophobicContact CD-CG2 4.29Å; K657-V659 HydrophobicContact CG-CG2 4.24Å; K657-F698 WeakPolarHBondContact O-CA 3.25Å; K657-L699 WeakPolarHBondContact CB-O 3.08Å; K657-L699 PolarHBondContact N-O 2.84Å; K657-L699 PolarHBondContact O-N 3.33Å
658V93.7Very high89.7Confident69 Ų6994.3 Ų94.342%0.41846%0.456SS..EExtended strand (participates in β ladder)trans-84.1132.1173.3-173.10000109.5Q656 K696 Y697 F698Q656-V658 PolarHBondContact O-N 3.16Å; V658-K696 HydrophobicContact CG1-CB 4.19Å; V658-K696 HydrophobicContact CG1-CD 4.41Å; V658-K696 HydrophobicContact CG1-CG 4.2Å; V658-Y697 CarbonylContact C-O 3.57Å; V658-Y697 WeakPolarHBondContact CA-O 3.1Å; V658-F698 HydrophobicContact CG2-CD1 3.97Å; V658-F698 HydrophobicContact CG2-CE1 3.79Å
659V92.4Very high89.7Confident8 Ų891.2 Ų91.25%0.04844%0.439CS..EExtended strand (participates in β ladder)trans-131128.6177.2-177.30000108.6K657 E664 V665 Y697 L699K657-V659 HydrophobicContact CD-CG2 4.29Å; K657-V659 HydrophobicContact CG-CG2 4.24Å; V659-E664 HydrophobicContact CG1-CB 3.84Å; V659-V665 HydrophobicContact CB-CG2 4.11Å; V659-V665 HydrophobicContact CG1-CG2 3.68Å; V659-Y697 PolarHBondContact N-O 3.02Å; V659-Y697 WeakPolarHBondContact O-CB 3.2Å; V659-Y697 PolarHBondContact O-N 3.34Å; V659-L699 HydrophobicContact CG2-CD1 3.9Å; V659-L699 HydrophobicContact CG2-CG 4.22Å
660V88.6Confident90Very high72 Ų7290.2 Ų90.244%0.43643%0.429SS..  trans-104.4-29.1179.8-175.10000111.2H662 K696V660-H662 PolarHBondContact O-N 2.7Å; V660-K696 HydrophobicContact CG2-CG 4.47Å
661D86.3Confident90.4Very high46 Ų4684.5 Ų84.525%0.24639%0.393CS..  trans-73.9109.2175.6-168.7-18.9000110.7R663 E664D661-R663 PolarHBondContact O-N 2.66Å; D661-R663 VanDerWaalsContact O-N 3.09Å; D661-R663 VanDerWaalsContact OD1-CB 3.24Å; D661-R663 WeakPolarHBondContact OD1-CB 3.48Å; D661-R663 WeakPolarHBondContact OD1-CG 3.5Å; D661-R663 IonicContact OD1-CZ 3.56Å; D661-R663 PolarHBondContact OD1-N 2.94Å; D661-R663 IonicContact OD1-NE 3.71Å; D661-R663 PolarHBondContact OD1-NE 2.99Å; D661-R663 IonicContact OD1-NH2 2.72Å; D661-R663 IonicContact OD2-CZ 3.59Å; D661-R663 VanDerWaalsContact OD2-CZ 3.26Å; D661-R663 IonicContact OD2-NE 2.79Å; D661-R663 PolarHBondContact OD2-NE 3.19Å; D661-R663 IonicContact OD2-NH2 3.75Å; D661-R663 PolarHBondContact OD2-NH2 2.85Å; D661-E664 HydrophobicContact CB-CG 4.27Å; D661-E664 PolarHBondContact O-N 3.06Å; D661-E664 VanDerWaalsContact O-N 3.09Å
662H84.2Confident90.6Very high104 Ų10481.1 Ų81.148%0.48138%0.375SS..G310 helixtrans-60-21179.369.880000113.3V660 E664 V665 H670 Y697V660-H662 PolarHBondContact O-N 2.7Å; H662-E664 VanDerWaalsContact C-N 3.26Å; H662-E664 PolarHBondContact O-N 3.27Å; H662-V665 PolarHBondContact O-N 3.48Å; H662-H670 PolarHBondContact O-CE1 3.39Å; H662-H670 VanDerWaalsContact O-CE1 3.23Å; H662-H670 PolarHBondContact O-NE2 3.31Å; H662-Y697 HydrophobicContact CB-CE2 4.18Å
663R86.9Confident90.4Very high195 Ų19583.1 Ų83.174%0.73640%0.395SS*.G310 helixtrans-69.9-25.3178.3-61.3174.8-68.9-177.8-0.2112.4D661 V665D661-R663 PolarHBondContact O-N 2.66Å; D661-R663 VanDerWaalsContact O-N 3.09Å; D661-R663 VanDerWaalsContact OD1-CB 3.24Å; D661-R663 WeakPolarHBondContact OD1-CB 3.48Å; D661-R663 WeakPolarHBondContact OD1-CG 3.5Å; D661-R663 IonicContact OD1-CZ 3.56Å; D661-R663 PolarHBondContact OD1-N 2.94Å; D661-R663 IonicContact OD1-NE 3.71Å; D661-R663 PolarHBondContact OD1-NE 2.99Å; D661-R663 IonicContact OD1-NH2 2.72Å; D661-R663 IonicContact OD2-CZ 3.59Å; D661-R663 VanDerWaalsContact OD2-CZ 3.26Å; D661-R663 IonicContact OD2-NE 2.79Å; D661-R663 PolarHBondContact OD2-NE 3.19Å; D661-R663 IonicContact OD2-NH2 3.75Å; D661-R663 PolarHBondContact OD2-NH2 2.85Å; R663-V665 VanDerWaalsContact C-N 3.25Å; R663-V665 PolarHBondContact O-N 3.36Å
664E88.6Confident90.3Very high120 Ų12078.4 Ų78.456%0.56138%0.377SS*.G310 helixtrans-850.2176.9-62.8-174.4-165.800112.8V659 D661 H662V659-E664 HydrophobicContact CG1-CB 3.84Å; D661-E664 HydrophobicContact CB-CG 4.27Å; D661-E664 PolarHBondContact O-N 3.06Å; D661-E664 VanDerWaalsContact O-N 3.09Å; H662-E664 VanDerWaalsContact C-N 3.26Å; H662-E664 PolarHBondContact O-N 3.27Å
665V90.4Very high90.1Very high9 Ų977.9 Ų77.96%0.05537%0.374CS..SBendtrans-117140.2-169.7-176.40000110.4V659 H662 R663 K667 I669 H670 Y697V659-V665 HydrophobicContact CB-CG2 4.11Å; V659-V665 HydrophobicContact CG1-CG2 3.68Å; H662-V665 PolarHBondContact O-N 3.48Å; R663-V665 VanDerWaalsContact C-N 3.25Å; R663-V665 PolarHBondContact O-N 3.36Å; V665-K667 PolarHBondContact O-N 3.44Å; V665-I669 HydrophobicContact CG1-CD1 3.45Å; V665-I669 VanDerWaalsContact CG1-CD1 3.45Å; V665-I669 HydrophobicContact CG1-CG1 3.33Å; V665-H670 PolarHBondContact O-NE2 2.76Å; V665-Y697 HydrophobicContact CB-CD2 4.41Å; V665-Y697 HydrophobicContact CB-CG 4.29Å; V665-Y697 HydrophobicContact CG1-CD1 3.82Å; V665-Y697 HydrophobicContact CG1-CD2 4.36Å; V665-Y697 HydrophobicContact CG1-CE1 4.4Å; V665-Y697 HydrophobicContact CG1-CG 3.78Å; V665-Y697 HydrophobicContact CG2-CD2 3.8Å; V665-Y697 HydrophobicContact CG2-CG 3.81Å
666P89.9Confident89.6Confident75 Ų7578.7 Ų78.749%0.48739%0.387SS..  trans-57.7132.5175.2-25.134.6000112.5K668 I669 H670P666-K668 PolarHBondContact O-N 3.05Å; P666-I669 WeakPolarHBondContact O-CG1 3.48Å; P666-I669 PolarHBondContact O-N 2.91Å; P666-H670 PolarHBondContact O-CD2 2.98Å; P666-H670 VanDerWaalsContact O-CD2 3.29Å
667K87.8Confident89.2Confident182 Ų18277.8 Ų77.879%0.79139%0.394SS*.G310 helixtrans-51.3-31.8-178.3-70.5-173.5178.2-178.20114.5V665 I669 H670V665-K667 PolarHBondContact O-N 3.44Å; K667-I669 PolarHBondContact O-N 3.2Å; K667-H670 WeakPolarHBondContact O-CB 3.27Å; K667-H670 PolarHBondContact O-N 3.02Å
668K86.6Confident88.7Confident141 Ų14177 Ų7761%0.61339%0.389SS*.G310 helixtrans-60.4-31.9-178.6-167.4-174175-146.50113.1E427 P666E427-K668 IonicContact OE1-NZ 2.69Å; E427-K668 PolarHBondContact OE1-NZ 3.46Å; E427-K668 WeakPolarHBondContact OE2-CD 3.2Å; E427-K668 WeakPolarHBondContact OE2-CE 3.12Å; E427-K668 IonicContact OE2-NZ 3.92Å; E427-K668 PolarHBondContact OE2-NZ 3.17Å; P666-K668 PolarHBondContact O-N 3.05Å
669I89.7Confident87.9Confident5 Ų576.2 Ų76.23%0.02638%0.38CS..G310 helixtrans-96.3-4.3-17870.5174000112.9L623 K642 V665 P666 K667 F671 Y697 L699L623-I669 HydrophobicContact CB-CD1 4.36Å; L623-I669 HydrophobicContact CB-CG2 4.43Å; L623-I669 HydrophobicContact CD1-CG2 3.85Å; K642-I669 WeakPolarHBondContact CD-O 3.43Å; K642-I669 PolarHBondContact NZ-O 3.46Å; V665-I669 HydrophobicContact CG1-CD1 3.45Å; V665-I669 VanDerWaalsContact CG1-CD1 3.45Å; V665-I669 HydrophobicContact CG1-CG1 3.33Å; P666-I669 WeakPolarHBondContact O-CG1 3.48Å; P666-I669 PolarHBondContact O-N 2.91Å; K667-I669 PolarHBondContact O-N 3.2Å; I669-F671 PolarHBondContact O-N 2.89Å; I669-Y697 HydrophobicContact CD1-CD1 4.36Å; I669-Y697 HydrophobicContact CG1-CD1 4.22Å; I669-Y697 WeakPolarHBondContact O-CE1 3.42Å; I669-L699 HydrophobicContact CD1-CD2 4.22Å
670H92.4Very high87.1Confident47 Ų4784.2 Ų84.222%0.21842%0.416CS..PPolyproline II helixtrans-56.8135.7177.8-68.5-175.8000112K642 H662 V665 P666 K667K642-H670 PolarHBondContact NZ-O 3.29Å; H662-H670 PolarHBondContact O-CE1 3.39Å; H662-H670 VanDerWaalsContact O-CE1 3.23Å; H662-H670 PolarHBondContact O-NE2 3.31Å; V665-H670 PolarHBondContact O-NE2 2.76Å; P666-H670 PolarHBondContact O-CD2 2.98Å; P666-H670 VanDerWaalsContact O-CD2 3.29Å; K667-H670 WeakPolarHBondContact O-CB 3.27Å; K667-H670 PolarHBondContact O-N 3.02Å
671F93.8Very high86.2Confident10 Ų1082.1 Ų82.14%0.04441%0.409CS..PPolyproline II helixtrans-70.2163.8165.5-66.2-81.8000110.4A626 M640 K642 I669 P673 F690 P695 Y697A626-F671 HydrophobicContact CB-CD1 3.91Å; A626-F671 HydrophobicContact CB-CD2 4.07Å; A626-F671 HydrophobicContact CB-CE1 3.79Å; A626-F671 HydrophobicContact CB-CE2 3.95Å; A626-F671 HydrophobicContact CB-CG 4.05Å; A626-F671 HydrophobicContact CB-CZ 3.8Å; M640-F671 HydrophobicContact CB-CE1 4.45Å; M640-F671 HydrophobicContact CE-CD1 4.49Å; M640-F671 HydrophobicContact CE-CE1 4.42Å; M640-F671 HydrophobicContact CG-CE1 4.04Å; M640-F671 HydrophobicContact SD-CD1 3.96Å; M640-F671 HydrophobicContact SD-CE1 3.94Å; K642-F671 HydrophobicContact CD-CE1 4.19Å; K642-F671 HydrophobicContact CD-CZ 4.4Å; K642-F671 HydrophobicContact CG-CE1 3.92Å; K642-F671 HydrophobicContact CG-CZ 4.12Å; I669-F671 PolarHBondContact O-N 2.89Å; F671-P673 WeakPolarHBondContact O-CD 3.48Å; F671-F690 HydrophobicContact CB-CE1 4.02Å; F671-F690 HydrophobicContact CB-CE2 4.45Å; F671-F690 HydrophobicContact CB-CZ 3.49Å; F671-F690 VanDerWaalsContact CB-CZ 3.49Å; F671-F690 HydrophobicContact CG-CZ 4.39Å; F671-P695 HydrophobicContact CD2-CB 3.53Å; F671-P695 HydrophobicContact CE2-CB 3.99Å; F671-P695 HydrophobicContact CG-CB 4.4Å; F671-Y697 AromaticContact CD2-CE1 3.62Å; F671-Y697 HydrophobicContact CD2-CE1 3.62Å; F671-Y697 AromaticContact CD2-CZ 3.8Å; F671-Y697 HydrophobicContact CE2-CD1 4.41Å; F671-Y697 AromaticContact CE2-CE1 3.9Å; F671-Y697 HydrophobicContact CE2-CE1 3.9Å; F671-Y697 PolarHBondContact N-OH 3.17Å; F671-Y697 VanDerWaalsContact N-OH 3.09Å
672N93.4Very high85.3Confident59 Ų5984.7 Ų84.732%0.31642%0.42SS..PPolyproline II helixtrans-60.9121.4-177.4-171.5-24000110.1E456 R674 F675E456-N672 VanDerWaalsContact O-CB 3.31Å; E456-N672 WeakPolarHBondContact O-CB 3.46Å; E456-N672 PolarHBondContact O-ND2 2.96Å; N672-R674 PolarHBondContact O-N 2.67Å; N672-R674 WeakPolarHBondContact OD1-CB 3.3Å; N672-R674 PolarHBondContact OD1-N 3.06Å; N672-F675 HydrophobicContact CB-CD2 4.14Å; N672-F675 HydrophobicContact CB-CE2 3.93Å; N672-F675 WeakPolarHBondContact O-CD2 3.38Å; N672-F675 PolarHBondContact O-N 2.86Å
673P89.5Confident84.6Confident110 Ų11080.1 Ų80.171%0.71440%0.399SS*.G310 helixtrans-65.7-10.9-177.527-36.2000113.6F671 F675 G676F671-P673 WeakPolarHBondContact O-CD 3.48Å; P673-F675 PolarHBondContact O-N 3.41Å; P673-F675 VanDerWaalsContact O-N 3.17Å; P673-G676 PolarHBondContact O-N 3.3Å
674R91.4Very high83.6Confident115 Ų11579.8 Ų79.843%0.43440%0.399SS..G310 helixtrans-53.8-32.3175.2173.757.5-171.295.1-3.3113.2E456 N672 G676E456-R674 IonicContact OE1-NE 2.84Å; N672-R674 PolarHBondContact O-N 2.67Å; N672-R674 WeakPolarHBondContact OD1-CB 3.3Å; N672-R674 PolarHBondContact OD1-N 3.06Å; R674-G676 PolarHBondContact O-N 3.14Å
675F90.4Very high82.9Confident3 Ų379 Ų791%0.01340%0.395CS..G310 helixtrans-79.1-2179.9-53.8-65.2000113.4L453 E456 T457 I628 N672 P673 H688 H689 F690L453-F675 HydrophobicContact CD1-CE1 3.69Å; L453-F675 HydrophobicContact CD1-CZ 4.04Å; E456-F675 HydrophobicContact CB-CZ 3.9Å; T457-F675 HydrophobicContact CG2-CZ 4.42Å; I628-F675 HydrophobicContact CD1-CD2 4.14Å; I628-F675 HydrophobicContact CD1-CE1 4.37Å; I628-F675 HydrophobicContact CD1-CE2 3.78Å; I628-F675 HydrophobicContact CD1-CZ 3.92Å; I628-F675 HydrophobicContact CG1-CD2 4.49Å; I628-F675 HydrophobicContact CG2-CD1 3.8Å; I628-F675 HydrophobicContact CG2-CE1 3.79Å; I628-F675 HydrophobicContact CG2-CG 4.42Å; I628-F675 HydrophobicContact CG2-CZ 4.39Å; N672-F675 HydrophobicContact CB-CD2 4.14Å; N672-F675 HydrophobicContact CB-CE2 3.93Å; N672-F675 WeakPolarHBondContact O-CD2 3.38Å; N672-F675 PolarHBondContact O-N 2.86Å; P673-F675 PolarHBondContact O-N 3.41Å; P673-F675 VanDerWaalsContact O-N 3.17Å; F675-H688 HydrophobicContact CD1-CB 3.9Å; F675-H688 HydrophobicContact CE1-CB 3.95Å; F675-H689 WeakPolarHBondContact O-CA 3.48Å; F675-H689 PolarHBondContact O-ND1 3.17Å; F675-F690 HydrophobicContact CB-CD1 3.92Å; F675-F690 HydrophobicContact CB-CD2 3.7Å; F675-F690 HydrophobicContact CB-CE1 3.81Å; F675-F690 HydrophobicContact CB-CE2 3.61Å; F675-F690 HydrophobicContact CB-CG 3.84Å; F675-F690 HydrophobicContact CB-CZ 3.65Å; F675-F690 AromaticContact CD2-CE1 3.78Å; F675-F690 HydrophobicContact CD2-CE1 3.78Å; F675-F690 HydrophobicContact CD2-CE2 4.48Å; F675-F690 AromaticContact CD2-CZ 3.71Å; F675-F690 HydrophobicContact CD2-CZ 3.71Å; F675-F690 HydrophobicContact CG-CD1 4.48Å; F675-F690 HydrophobicContact CG-CE1 4.1Å; F675-F690 HydrophobicContact CG-CZ 4.13Å; F675-F690 PolarHBondContact O-N 2.65Å
676G85.1Confident82Confident39 Ų3983 Ų8340%0.40242%0.416SS..  trans71.7-154.4171.300000114.4P673 R674 F690P673-G676 PolarHBondContact O-N 3.3Å; R674-G676 PolarHBondContact O-N 3.14Å; G676-F690 WeakPolarHBondContact O-CD2 3.4Å
677S80Confident81.5Confident99 Ų9983.2 Ų83.269%0.69241%0.413SS*.SBendtrans-81.5160.4166.5560000110.5
678Y80.6Confident81.4Confident110 Ų11075.9 Ų75.943%0.43138%0.382SS..  trans-66.1146.3177.983.9-98.6000111.8F690 M692 T694Y678-F690 CarbonylContact C-O 3.56Å; Y678-F690 VanDerWaalsContact CA-O 3.3Å; Y678-F690 WeakPolarHBondContact CA-O 3.47Å; Y678-M692 WeakPolarHBondContact CD2-O 3.49Å; Y678-M692 VanDerWaalsContact CE2-O 3.26Å; Y678-M692 WeakPolarHBondContact CE2-O 3.48Å; Y678-T694 WeakPolarHBondContact CB-O 3.3Å
679K78.8Confident81.6Confident52 Ų5270.7 Ų70.723%0.22636%0.36CS..BIsolated β-bridgetrans-105.3134.1165.4-65.2-170.8-176.8176.70109.6N683 E685 H689 F690 H691 M692K679-N683 PolarHBondContact NZ-OD1 3.43Å; K679-E685 IonicContact NZ-OE1 3.91Å; K679-E685 PolarHBondContact NZ-OE1 3.14Å; K679-E685 IonicContact NZ-OE2 2.69Å; K679-E685 PolarHBondContact NZ-OE2 3.42Å; K679-H689 HydrophobicContact CD-CB 4.43Å; K679-H689 HydrophobicContact CG-CB 4.45Å; K679-H689 PolarHBondContact NZ-CD2 3.34Å; K679-F690 PolarHBondContact N-O 2.8Å; K679-H691 CarbonylContact O-C 3.57Å; K679-H691 VanDerWaalsContact O-CA 3.29Å; K679-H691 WeakPolarHBondContact O-CA 3.45Å; K679-M692 PolarHBondContact O-N 2.65Å
680E74.8Confident81.6Confident176 Ų17670.7 Ų70.782%0.82236%0.36SS*.SBendtrans-70.8131.8177.2-165.4174-169.400109.9
681G70.1Confident81.3Confident28 Ų2868.5 Ų68.529%0.28935%0.349SS..SBendtrans75.3-168.8-174.900000114.5
682H67.8Low80.8Confident100 Ų10069 Ų6946%0.46335%0.352SS..  trans-71.3134.5177.8-69-71.9000111.5Y684H682-Y684 HydrophobicContact CB-CE2 4.05Å; H682-Y684 WeakPolarHBondContact O-CD2 3.43Å; H682-Y684 WeakPolarHBondContact O-CE2 3.09Å
683N69.1Low80.4Confident7 Ų768.6 Ų68.64%0.03735%0.35CS..  trans-89.9114.4175.6175.845.5000110.7S629 K679 E685 N687S629-N683 PolarHBondContact OG-ND2 2.99Å; K679-N683 PolarHBondContact NZ-OD1 3.43Å; N683-E685 WeakPolarHBondContact OD1-CB 3.22Å; N683-E685 PolarHBondContact OD1-N 3.35Å; N683-N687 PolarHBondContact ND2-O 3.25Å
684Y66.3Low80.3Confident188 Ų18863.3 Ų63.374%0.73732%0.316SS*.  trans-95.61.4177.6-59.1-79.3000113.4H682H682-Y684 HydrophobicContact CB-CE2 4.05Å; H682-Y684 WeakPolarHBondContact O-CD2 3.43Å; H682-Y684 WeakPolarHBondContact O-CE2 3.09Å
685E72.6Confident80.4Confident103 Ų10358.6 Ų58.648%0.48130%0.3SS..SBendtrans-74.5149.9172.8-70.4175-148.100110.9K679 N683 N687 H689K679-E685 IonicContact NZ-OE1 3.91Å; K679-E685 PolarHBondContact NZ-OE1 3.14Å; K679-E685 IonicContact NZ-OE2 2.69Å; K679-E685 PolarHBondContact NZ-OE2 3.42Å; N683-E685 WeakPolarHBondContact OD1-CB 3.22Å; N683-E685 PolarHBondContact OD1-N 3.35Å; E685-N687 PolarHBondContact O-N 3.02Å; E685-H689 IonicContact OE2-NE2 3.28Å
686N71.3Confident80.6Confident94 Ų9459.1 Ų59.150%0.50330%0.302SS..SBendtrans-7630.1-179.9-135.9-26.9000113.3E632E632-N686 VanDerWaalsContact CD-ND2 3.31Å; E632-N686 PolarHBondContact OE1-ND2 2.85Å; E632-N686 PolarHBondContact OE2-ND2 2.99Å; E632-N686 PolarHBondContact OE2-OD1 3.06Å
687N80.9Confident81.1Confident80 Ų8057.5 Ų57.543%0.42828%0.284SS..SBendtrans-135.1134.3179.6-79.8-41.1000109.4N683 E685 H689N683-N687 PolarHBondContact ND2-O 3.25Å; E685-N687 PolarHBondContact O-N 3.02Å; N687-H689 PolarHBondContact O-CD2 2.8Å; N687-H689 PolarHBondContact O-N 3.49Å
688H86.1Confident81.8Confident27 Ų2752.8 Ų52.813%0.12525%0.251CS..  trans-71.9123.2176.8-57.6-75.8000111.4L453 I628 S629 H630 A631 L633 F675L453-H688 HydrophobicContact CD1-CB 4.1Å; L453-H688 VanDerWaalsContact CD2-CE1 3.43Å; L453-H688 WeakPolarHBondContact CD2-CE1 3.27Å; I628-H688 HydrophobicContact CG2-CB 4.02Å; S629-H688 PolarHBondContact O-ND1 3.18Å; H630-H688 PolarHBondContact O-CE1 3.49Å; H630-H688 VanDerWaalsContact O-CE1 3.23Å; A631-H688 VanDerWaalsContact CB-CE1 3.45Å; A631-H688 WeakPolarHBondContact CB-CE1 3.14Å; A631-H688 WeakPolarHBondContact CB-ND1 3.33Å; L633-H688 WeakPolarHBondContact CD1-NE2 3.38Å; F675-H688 HydrophobicContact CD1-CB 3.9Å; F675-H688 HydrophobicContact CE1-CB 3.95Å
689H89.3Confident82.3Confident33 Ų3351.7 Ų51.715%0.15325%0.252CS..  trans-122.5157.1171.2-73-80.1000110.9S629 F675 K679 E685 N687S629-H689 PolarHBondContact N-O 3.05Å; S629-H689 PolarHBondContact OG-N 2.86Å; S629-H689 PolarHBondContact OG-O 3.35Å; F675-H689 WeakPolarHBondContact O-CA 3.48Å; F675-H689 PolarHBondContact O-ND1 3.17Å; K679-H689 HydrophobicContact CD-CB 4.43Å; K679-H689 HydrophobicContact CG-CB 4.45Å; K679-H689 PolarHBondContact NZ-CD2 3.34Å; E685-H689 IonicContact OE2-NE2 3.28Å; N687-H689 PolarHBondContact O-CD2 2.8Å; N687-H689 PolarHBondContact O-N 3.49Å
690F90.8Very high82.4Confident5 Ų551.7 Ų51.72%0.02225%0.254CS..BIsolated β-bridgetrans-62.5141.8157.6-59.5-59.2000108.9A626 R627 I628 F671 F675 G676 Y678 K679 T694 P695A626-F690 HydrophobicContact CB-CD1 4.02Å; A626-F690 HydrophobicContact CB-CE1 3.85Å; R627-F690 WeakPolarHBondContact O-CA 3.31Å; I628-F690 HydrophobicContact CG1-CD1 4Å; I628-F690 HydrophobicContact CG1-CE1 4.07Å; F671-F690 HydrophobicContact CB-CE1 4.02Å; F671-F690 HydrophobicContact CB-CE2 4.45Å; F671-F690 HydrophobicContact CB-CZ 3.49Å; F671-F690 VanDerWaalsContact CB-CZ 3.49Å; F671-F690 HydrophobicContact CG-CZ 4.39Å; F675-F690 HydrophobicContact CB-CD1 3.92Å; F675-F690 HydrophobicContact CB-CD2 3.7Å; F675-F690 HydrophobicContact CB-CE1 3.81Å; F675-F690 HydrophobicContact CB-CE2 3.61Å; F675-F690 HydrophobicContact CB-CG 3.84Å; F675-F690 HydrophobicContact CB-CZ 3.65Å; F675-F690 AromaticContact CD2-CE1 3.78Å; F675-F690 HydrophobicContact CD2-CE1 3.78Å; F675-F690 HydrophobicContact CD2-CE2 4.48Å; F675-F690 AromaticContact CD2-CZ 3.71Å; F675-F690 HydrophobicContact CD2-CZ 3.71Å; F675-F690 HydrophobicContact CG-CD1 4.48Å; F675-F690 HydrophobicContact CG-CE1 4.1Å; F675-F690 HydrophobicContact CG-CZ 4.13Å; F675-F690 PolarHBondContact O-N 2.65Å; G676-F690 WeakPolarHBondContact O-CD2 3.4Å; Y678-F690 CarbonylContact C-O 3.56Å; Y678-F690 VanDerWaalsContact CA-O 3.3Å; Y678-F690 WeakPolarHBondContact CA-O 3.47Å; K679-F690 PolarHBondContact N-O 2.8Å; F690-T694 VanDerWaalsContact CB-O 3.24Å; F690-T694 WeakPolarHBondContact CB-O 3.17Å; F690-P695 HydrophobicContact CD2-CG 3.98Å; F690-P695 HydrophobicContact CE2-CG 3.98Å; F690-P695 HydrophobicContact CG-CG 4.39Å; F690-P695 HydrophobicContact CZ-CG 4.41Å
691H85.8Confident82.8Confident1 Ų145.2 Ų45.21%0.00522%0.224CC..BIsolated β-bridgetrans-136.5174.9-178.473178.5000113.2R627 E637 K679 N693 T694R627-H691 VanDerWaalsContact CB-CD2 3.45Å; R627-H691 WeakPolarHBondContact CB-CD2 3.2Å; R627-H691 PolarHBondContact O-N 3.11Å; R627-H691 VanDerWaalsContact O-N 3.11Å; E637-H691 IonicContact OE2-CD2 3.56Å; E637-H691 IonicContact OE2-CE1 2.96Å; E637-H691 PolarHBondContact OE2-CE1 3.24Å; E637-H691 IonicContact OE2-NE2 2.71Å; E637-H691 PolarHBondContact OE2-NE2 3.46Å; K679-H691 CarbonylContact O-C 3.57Å; K679-H691 VanDerWaalsContact O-CA 3.29Å; K679-H691 WeakPolarHBondContact O-CA 3.45Å; H691-N693 PolarHBondContact O-N 3.23Å; H691-N693 VanDerWaalsContact O-N 3.17Å; H691-T694 PolarHBondContact O-N 3.32Å; H691-T694 PolarHBondContact O-OG1 3.27Å; H691-T694 VanDerWaalsContact O-OG1 3.08Å
692M83.3Confident83.6Confident21 Ų2146.1 Ų46.110%0.10322%0.22CC..THydrogen-bonded Turntrans62.5-102.3-170.3-55.3-59.8-171.700111.7Y678 K679Y678-M692 WeakPolarHBondContact CD2-O 3.49Å; Y678-M692 VanDerWaalsContact CE2-O 3.26Å; Y678-M692 WeakPolarHBondContact CE2-O 3.48Å; K679-M692 PolarHBondContact O-N 2.65Å
693N84.3Confident84.5Confident49 Ų4942.9 Ų42.926%0.26221%0.206SC..THydrogen-bonded Turntrans-137.126.5-176.862.118.5000112.4H691 K696H691-N693 PolarHBondContact O-N 3.23Å; H691-N693 VanDerWaalsContact O-N 3.17Å; N693-K696 VanDerWaalsContact CG-NZ 3.29Å; N693-K696 PolarHBondContact ND2-NZ 2.95Å; N693-K696 WeakPolarHBondContact O-CE 3.39Å; N693-K696 VanDerWaalsContact OD1-CE 3.25Å; N693-K696 WeakPolarHBondContact OD1-CE 3.4Å; N693-K696 PolarHBondContact OD1-NZ 3.02Å
694T87.9Confident85.4Confident0 Ų045.2 Ų45.20%022%0.216CC..  trans-117.9153.9-175.572.40000110.5Y625 R627 Y678 F690 H691Y625-T694 HydrophobicContact CD1-CG2 3.96Å; Y625-T694 HydrophobicContact CE1-CG2 3.92Å; R627-T694 HydrophobicContact CB-CG2 4.39Å; R627-T694 HydrophobicContact CG-CG2 4.06Å; R627-T694 PolarHBondContact N-OG1 3.09Å; R627-T694 PolarHBondContact O-OG1 3.25Å; Y678-T694 WeakPolarHBondContact CB-O 3.3Å; F690-T694 VanDerWaalsContact CB-O 3.24Å; F690-T694 WeakPolarHBondContact CB-O 3.17Å; H691-T694 PolarHBondContact O-N 3.32Å; H691-T694 PolarHBondContact O-OG1 3.27Å; H691-T694 VanDerWaalsContact O-OG1 3.08Å
695P93.1Very high86.7Confident16 Ų1635.7 Ų35.710%0.10418%0.181CC..  cis-80.514215.831.7-33.5000112.6Y625 A626 F671 F690 Y697Y625-P695 CarbonylContact O-C 3.59Å; Y625-P695 WeakPolarHBondContact O-CA 3.42Å; A626-P695 HydrophobicContact CB-CB 4.23Å; F671-P695 HydrophobicContact CD2-CB 3.53Å; F671-P695 HydrophobicContact CE2-CB 3.99Å; F671-P695 HydrophobicContact CG-CB 4.4Å; F690-P695 HydrophobicContact CD2-CG 3.98Å; F690-P695 HydrophobicContact CE2-CG 3.98Å; F690-P695 HydrophobicContact CG-CG 4.39Å; F690-P695 HydrophobicContact CZ-CG 4.41Å; P695-Y697 HydrophobicContact CB-CE2 4.25Å; P695-Y697 HydrophobicContact CG-CE2 4.23Å
696K94.3Very high87.7Confident13 Ų1330.9 Ų30.96%0.05716%0.16CC..EExtended strand (participates in β ladder)trans-109.3140.4169.4-71168.2174.5165.90108.8D604 G624 Y625 V658 V660 N693 F698D604-K696 WeakPolarHBondContact OD2-CD 3.45Å; D604-K696 WeakPolarHBondContact OD2-CE 3.4Å; D604-K696 IonicContact OD2-NZ 3.41Å; D604-K696 PolarHBondContact OD2-NZ 2.71Å; G624-K696 CarbonylContact C-O 3.55Å; G624-K696 WeakPolarHBondContact CA-O 3.29Å; Y625-K696 PolarHBondContact N-O 3.03Å; Y625-K696 PolarHBondContact O-N 3.18Å; V658-K696 HydrophobicContact CG1-CB 4.19Å; V658-K696 HydrophobicContact CG1-CD 4.41Å; V658-K696 HydrophobicContact CG1-CG 4.2Å; V660-K696 HydrophobicContact CG2-CG 4.47Å; N693-K696 VanDerWaalsContact CG-NZ 3.29Å; N693-K696 PolarHBondContact ND2-NZ 2.95Å; N693-K696 WeakPolarHBondContact O-CE 3.39Å; N693-K696 VanDerWaalsContact OD1-CE 3.25Å; N693-K696 WeakPolarHBondContact OD1-CE 3.4Å; N693-K696 PolarHBondContact OD1-NZ 3.02Å; K696-F698 HydrophobicContact CB-CZ 4.42Å
697Y95.4Very high89Confident5 Ų526 Ų262%0.0213%0.134CC..EExtended strand (participates in β ladder)trans-115.8148.3174.3-59.2-81.1000110L623 V658 V659 H662 V665 I669 F671 P695L623-Y697 WeakPolarHBondContact O-CA 3.39Å; V658-Y697 CarbonylContact C-O 3.57Å; V658-Y697 WeakPolarHBondContact CA-O 3.1Å; V659-Y697 PolarHBondContact N-O 3.02Å; V659-Y697 WeakPolarHBondContact O-CB 3.2Å; V659-Y697 PolarHBondContact O-N 3.34Å; H662-Y697 HydrophobicContact CB-CE2 4.18Å; V665-Y697 HydrophobicContact CB-CD2 4.41Å; V665-Y697 HydrophobicContact CB-CG 4.29Å; V665-Y697 HydrophobicContact CG1-CD1 3.82Å; V665-Y697 HydrophobicContact CG1-CD2 4.36Å; V665-Y697 HydrophobicContact CG1-CE1 4.4Å; V665-Y697 HydrophobicContact CG1-CG 3.78Å; V665-Y697 HydrophobicContact CG2-CD2 3.8Å; V665-Y697 HydrophobicContact CG2-CG 3.81Å; I669-Y697 HydrophobicContact CD1-CD1 4.36Å; I669-Y697 HydrophobicContact CG1-CD1 4.22Å; I669-Y697 WeakPolarHBondContact O-CE1 3.42Å; F671-Y697 AromaticContact CD2-CE1 3.62Å; F671-Y697 HydrophobicContact CD2-CE1 3.62Å; F671-Y697 AromaticContact CD2-CZ 3.8Å; F671-Y697 HydrophobicContact CE2-CD1 4.41Å; F671-Y697 AromaticContact CE2-CE1 3.9Å; F671-Y697 HydrophobicContact CE2-CE1 3.9Å; F671-Y697 PolarHBondContact N-OH 3.17Å; F671-Y697 VanDerWaalsContact N-OH 3.09Å; P695-Y697 HydrophobicContact CB-CE2 4.25Å; P695-Y697 HydrophobicContact CG-CE2 4.23Å
698F95.3Very high89.7Confident0 Ų021.5 Ų21.50%011%0.109CC..EExtended strand (participates in β ladder)trans-120.4122.6-178.5-55.5-85.9000109.5I603 D604 R622 L623 N655 K657 V658 K696I603-F698 HydrophobicContact CD1-CE2 4.26Å; I603-F698 HydrophobicContact CG1-CE2 4.4Å; I603-F698 WeakPolarHBondContact O-CZ 3.38Å; D604-F698 HydrophobicContact CB-CZ 4.34Å; R622-F698 HydrophobicContact CB-CD2 4.25Å; R622-F698 HydrophobicContact CG-CB 3.84Å; R622-F698 HydrophobicContact CG-CD1 4.35Å; R622-F698 HydrophobicContact CG-CD2 4.04Å; R622-F698 HydrophobicContact CG-CG 3.83Å; L623-F698 PolarHBondContact O-N 3.48Å; N655-F698 HydrophobicContact CB-CB 3.8Å; N655-F698 PolarHBondContact ND2-O 2.95Å; K657-F698 WeakPolarHBondContact O-CA 3.25Å; V658-F698 HydrophobicContact CG2-CD1 3.97Å; V658-F698 HydrophobicContact CG2-CE1 3.79Å; K696-F698 HydrophobicContact CB-CZ 4.42Å
699L90.6Very high90Very high88 Ų8821 Ų2146%0.46111%0.108SC..  trans-118.40-178.9-61.6-176.8000113.5N655 Q656 K657 V659 I669N655-L699 WeakPolarHBondContact CB-O 3.2Å; N655-L699 VanDerWaalsContact CG-C 3.41Å; N655-L699 PolarHBondContact OD1-OXT 3.45Å; Q656-L699 PolarHBondContact N-O 3.06Å; K657-L699 WeakPolarHBondContact CB-O 3.08Å; K657-L699 PolarHBondContact N-O 2.84Å; K657-L699 PolarHBondContact O-N 3.33Å; V659-L699 HydrophobicContact CG2-CD1 3.9Å; V659-L699 HydrophobicContact CG2-CG 4.22Å; I669-L699 HydrophobicContact CD1-CD2 4.22Å

Retrieved 699 of 699 residues in 255 ms (Link to these results)

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