A0A5K4F630_SCHMA Loading...

Brca1 interacting protein C-terminal helicase 1 brip1, putative AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F630, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 851 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
1M51.7Low86.4Confident198 Ų19883.5 Ų83.598%0.97544%0.436SS*.  0124.50-79.1175.5154.800107.1S3M1-S3 PolarHBondContact O-N 2.91Å
2Q62.6Low87.3Confident170 Ų17082.3 Ų82.379%0.79444%0.435SS*.  trans-71.1106.6168.9-79.1175.4-14.500107.5
3S77.4Confident88Confident55 Ų5576 Ų7639%0.38540%0.401SS..PPolyproline II helixtrans-81.7137.9169.751.80000109.4M1 F15M1-S3 PolarHBondContact O-N 2.91Å; S3-F15 CarbonylContact C-O 3.52Å; S3-F15 WeakPolarHBondContact CA-O 3.49Å
4F91.3Very high88.6Confident89 Ų8970.8 Ų70.839%0.3937%0.374SS..EExtended strand (participates in β ladder)trans-90.8119.9172.8-72.3-98.4000108.9F15 H17 K18F4-F15 PolarHBondContact N-O 2.73Å; F4-F15 PolarHBondContact O-N 3.02Å; F4-H17 VanDerWaalsContact CD2-CA 3.49Å; F4-K18 HydrophobicContact CD1-CB 4.27Å; F4-K18 HydrophobicContact CE1-CB 4.21Å; F4-K18 HydrophobicContact CZ-CB 4.43Å
5E93.6Very high89.1Confident122 Ų12266.1 Ų66.157%0.5735%0.349SS*.EExtended strand (participates in β ladder)trans-89.9125.7174.6-62.5-168.4162.900109.4T12 V13 K120E5-T12 HydrophobicContact CB-CG2 4.26Å; E5-V13 WeakPolarHBondContact CA-O 3.48Å; E5-K120 IonicContact OE1-NZ 3.72Å
6V94.8Very high89.3Confident27 Ų2763.9 Ų63.916%0.16434%0.34CS..EExtended strand (participates in β ladder)trans-124.8134.5174.5-65.90000109I8 V13 P19 M24 M27V6-I8 HydrophobicContact CG2-CD1 4.04Å; V6-I8 HydrophobicContact CG2-CG1 4.25Å; V6-V13 HydrophobicContact CG2-CB 4.06Å; V6-V13 PolarHBondContact N-O 2.75Å; V6-V13 PolarHBondContact O-N 3.45Å; V6-P19 HydrophobicContact CG1-CG 3.94Å; V6-M24 HydrophobicContact CB-CE 4.26Å; V6-M24 HydrophobicContact CB-SD 4.28Å; V6-M24 HydrophobicContact CG1-SD 4.28Å; V6-M24 HydrophobicContact CG2-CE 4.4Å; V6-M24 HydrophobicContact CG2-SD 4.02Å; V6-M27 HydrophobicContact CG2-CE 4.4Å
7T96.2Very high89.3Confident100 Ų10064.1 Ų64.161%0.61334%0.338SS*.EExtended strand (participates in β ladder)trans-95.1118.7175.8-59.70000109.2V11T7-V11 WeakPolarHBondContact CA-O 3.49Å
8I96.2Very high89.4Confident7 Ų769.4 Ų69.44%0.03636%0.358CS..EExtended strand (participates in β ladder)trans-123.3116.4-178.9-59.7176.2000107.5V6 G10 V11 V13 M24 M27 T28 I31V6-I8 HydrophobicContact CG2-CD1 4.04Å; V6-I8 HydrophobicContact CG2-CG1 4.25Å; I8-G10 PolarHBondContact O-N 3.33Å; I8-G10 VanDerWaalsContact O-N 3.14Å; I8-V11 PolarHBondContact N-O 3.16Å; I8-V11 WeakPolarHBondContact O-CA 3.31Å; I8-V11 VanDerWaalsContact O-CB 3.32Å; I8-V11 WeakPolarHBondContact O-CB 3.36Å; I8-V11 PolarHBondContact O-N 3.06Å; I8-V13 HydrophobicContact CD1-CG2 4.4Å; I8-M24 HydrophobicContact CD1-CE 3.81Å; I8-M24 HydrophobicContact CD1-SD 4.08Å; I8-M24 HydrophobicContact CG1-CE 3.77Å; I8-M27 HydrophobicContact CD1-CB 3.6Å; I8-M27 HydrophobicContact CD1-CE 3.95Å; I8-M27 HydrophobicContact CD1-SD 4.39Å; I8-T28 HydrophobicContact CG2-CG2 4.28Å; I8-T28 WeakPolarHBondContact CG2-OG1 3.4Å; I8-I31 HydrophobicContact CB-CD1 3.74Å; I8-I31 HydrophobicContact CD1-CD1 4.47Å; I8-I31 HydrophobicContact CG2-CD1 3.71Å
9R95.6Very high89.5Confident106 Ų10666.8 Ų66.840%0.435%0.346SS..THydrogen-bonded Turntrans51.536.5-176.5-56.7178.858.691.96112.9V11 T28 I31 E32 E35R9-V11 PolarHBondContact O-N 3.45Å; R9-T28 HydrophobicContact CG-CG2 4.5Å; R9-I31 HydrophobicContact CB-CG2 4Å; R9-I31 HydrophobicContact CG-CG2 4.48Å; R9-E32 IonicContact NH1-OE1 2.75Å; R9-E35 IonicContact CZ-OE2 3.51Å; R9-E35 IonicContact NE-OE2 3.53Å; R9-E35 PolarHBondContact NE-OE2 3.18Å; R9-E35 IonicContact NH2-OE2 3.93Å; R9-E35 PolarHBondContact NH2-OE2 3.34Å
10G94.6Very high89.6Confident45 Ų4568.3 Ų68.346%0.46435%0.347SS..THydrogen-bonded Turntrans7111.8-176.300000114.7I8 K64I8-G10 PolarHBondContact O-N 3.33Å; I8-G10 VanDerWaalsContact O-N 3.14Å; G10-K64 VanDerWaalsContact C-NZ 3.31Å; G10-K64 VanDerWaalsContact O-CE 3.31Å; G10-K64 WeakPolarHBondContact O-CE 3.4Å; G10-K64 PolarHBondContact O-NZ 3.13Å
11V96.3Very high89.6Confident0 Ų067.6 Ų67.60%036%0.358CS..EExtended strand (participates in β ladder)trans-97.9122.4169-177.20000108.5T7 I8 R9 V13 I31 G60 W61 K64T7-V11 WeakPolarHBondContact CA-O 3.49Å; I8-V11 PolarHBondContact N-O 3.16Å; I8-V11 WeakPolarHBondContact O-CA 3.31Å; I8-V11 VanDerWaalsContact O-CB 3.32Å; I8-V11 WeakPolarHBondContact O-CB 3.36Å; I8-V11 PolarHBondContact O-N 3.06Å; R9-V11 PolarHBondContact O-N 3.45Å; V11-V13 HydrophobicContact CG1-CG2 4.09Å; V11-V13 PolarHBondContact O-N 3.05Å; V11-I31 HydrophobicContact CB-CD1 4.02Å; V11-I31 HydrophobicContact CB-CG2 4.38Å; V11-I31 HydrophobicContact CG1-CD1 4.23Å; V11-I31 HydrophobicContact CG2-CD1 4.43Å; V11-I31 HydrophobicContact CG2-CG2 3.66Å; V11-G60 VanDerWaalsContact CG1-C 3.48Å; V11-G60 WeakPolarHBondContact CG1-O 3.32Å; V11-W61 HydrophobicContact CG1-CB 4.32Å; V11-K64 HydrophobicContact CB-CD 4.32Å; V11-K64 HydrophobicContact CG2-CD 3.78Å
12T96.8Very high91.4Very high69 Ų6958.9 Ų58.942%0.42332%0.316SS..EExtended strand (participates in β ladder)trans-78.4110.7172.8-54.30000109.4E5E5-T12 HydrophobicContact CB-CG2 4.26Å
13V96.9Very high92.9Very high0 Ų050.9 Ų50.90%028%0.278CS..EExtended strand (participates in β ladder)trans-104.3124.2177.4-179.20000109.3E5 V6 I8 V11 M27 I31 C56E5-V13 WeakPolarHBondContact CA-O 3.48Å; V6-V13 HydrophobicContact CG2-CB 4.06Å; V6-V13 PolarHBondContact N-O 2.75Å; V6-V13 PolarHBondContact O-N 3.45Å; I8-V13 HydrophobicContact CD1-CG2 4.4Å; V11-V13 HydrophobicContact CG1-CG2 4.09Å; V11-V13 PolarHBondContact O-N 3.05Å; V13-M27 HydrophobicContact CG1-SD 3.84Å; V13-I31 HydrophobicContact CG2-CD1 3.69Å; V13-C56 HydrophobicContact CG1-CB 3.73Å
14C95.9Very high93.7Very high3 Ų351 Ų512%0.0227%0.273CS..EExtended strand (participates in β ladder)trans-92.2109.5174.9-66.10000109.7C56 K120 Y121C14-C56 PolarHBondContact O-SG 2.96Å; C14-C56 VanDerWaalsContact O-SG 3.35Å; C14-K120 HydrophobicContact CB-CB 4.04Å; C14-K120 HydrophobicContact CB-CD 3.85Å; C14-K120 WeakPolarHBondContact SG-CD 3.36Å; C14-Y121 HydrophobicContact CB-CE2 4.22Å; C14-Y121 PolarHBondContact N-OH 3.47Å; C14-Y121 WeakPolarHBondContact O-CE2 3.47Å
15F96Very high93.8Very high1 Ų149.4 Ų49.40%0.00427%0.273CS..EExtended strand (participates in β ladder)trans-103.2142.9178.1-145.8-108.2000111.3S3 F4 H17 P19 M27 L52 C56S3-F15 CarbonylContact C-O 3.52Å; S3-F15 WeakPolarHBondContact CA-O 3.49Å; F4-F15 PolarHBondContact N-O 2.73Å; F4-F15 PolarHBondContact O-N 3.02Å; F15-H17 VanDerWaalsContact CD1-O 3.32Å; F15-H17 WeakPolarHBondContact CD1-O 3.34Å; F15-H17 AromaticContact CE1-CE1 3.44Å; F15-H17 VanDerWaalsContact CE1-CE1 3.44Å; F15-H17 WeakPolarHBondContact CE1-CE1 3.19Å; F15-H17 AromaticContact CE1-ND1 3.92Å; F15-H17 AromaticContact CE1-NE2 3.56Å; F15-H17 PolarHBondContact O-N 3.26Å; F15-P19 HydrophobicContact CD1-CB 3.97Å; F15-P19 HydrophobicContact CE1-CB 4.3Å; F15-P19 HydrophobicContact CG-CB 4.34Å; F15-M27 HydrophobicContact CD2-CE 4.17Å; F15-M27 HydrophobicContact CD2-SD 3.73Å; F15-M27 HydrophobicContact CE2-CE 4.39Å; F15-M27 HydrophobicContact CE2-SD 3.84Å; F15-L52 HydrophobicContact CE1-CD2 3.83Å; F15-L52 HydrophobicContact CE1-CG 4.33Å; F15-L52 HydrophobicContact CE2-CB 4.39Å; F15-L52 HydrophobicContact CE2-CD2 4.21Å; F15-L52 HydrophobicContact CE2-CG 3.8Å; F15-L52 HydrophobicContact CZ-CB 4.08Å; F15-L52 HydrophobicContact CZ-CD2 3.59Å; F15-L52 HydrophobicContact CZ-CG 3.61Å; F15-C56 HydrophobicContact CD2-CB 3.68Å; F15-C56 HydrophobicContact CE2-CB 3.94Å
16P93Very high93.9Very high30 Ų3043.6 Ų43.620%0.19525%0.247CC..SBendtrans-67.4-17.7-177-23.835.1000115.6L52 K118 T119P16-L52 HydrophobicContact CG-CD1 4Å; P16-L52 HydrophobicContact CG-CD2 4.01Å; P16-L52 HydrophobicContact CG-CG 4.4Å; P16-K118 HydrophobicContact CG-CB 4.42Å; P16-K118 WeakPolarHBondContact CG-O 3.4Å; P16-T119 HydrophobicContact CG-CG2 4.06Å
17H90.1Very high94Very high68 Ų6842.3 Ų42.332%0.31524%0.239SC..SBendtrans-145.5175.3178.357.283.3000109.3F4 F15 P19 Q23F4-H17 VanDerWaalsContact CD2-CA 3.49Å; F15-H17 VanDerWaalsContact CD1-O 3.32Å; F15-H17 WeakPolarHBondContact CD1-O 3.34Å; F15-H17 AromaticContact CE1-CE1 3.44Å; F15-H17 VanDerWaalsContact CE1-CE1 3.44Å; F15-H17 WeakPolarHBondContact CE1-CE1 3.19Å; F15-H17 AromaticContact CE1-ND1 3.92Å; F15-H17 AromaticContact CE1-NE2 3.56Å; F15-H17 PolarHBondContact O-N 3.26Å; H17-P19 VanDerWaalsContact O-CD 3.31Å; H17-P19 WeakPolarHBondContact O-CD 3.37Å; H17-Q23 PolarHBondContact CE1-OE1 2.96Å
18K90.5Very high94.1Very high160 Ų16039.8 Ų39.870%0.69622%0.223SC*.PPolyproline II helixtrans-61.8121.2172.5-172.5176-179179.20108.7F4F4-K18 HydrophobicContact CD1-CB 4.27Å; F4-K18 HydrophobicContact CE1-CB 4.21Å; F4-K18 HydrophobicContact CZ-CB 4.43Å
19P91.6Very high94.2Very high19 Ų1942.3 Ų42.312%0.12323%0.232CC..PPolyproline II helixtrans-72.1140.5-17727.2-33.1000111.2V6 F15 H17 Q23 M24 M27V6-P19 HydrophobicContact CG1-CG 3.94Å; F15-P19 HydrophobicContact CD1-CB 3.97Å; F15-P19 HydrophobicContact CE1-CB 4.3Å; F15-P19 HydrophobicContact CG-CB 4.34Å; H17-P19 VanDerWaalsContact O-CD 3.31Å; H17-P19 WeakPolarHBondContact O-CD 3.37Å; P19-Q23 VanDerWaalsContact CA-OE1 3.29Å; P19-Q23 HydrophobicContact CB-CB 4.15Å; P19-M24 HydrophobicContact CB-CG 4.08Å; P19-M24 HydrophobicContact CB-SD 3.92Å; P19-M24 HydrophobicContact CG-CG 3.95Å; P19-M24 HydrophobicContact CG-SD 3.41Å; P19-M24 WeakPolarHBondContact CG-SD 3.31Å; P19-M27 HydrophobicContact CB-CE 3.85Å; P19-M27 HydrophobicContact CG-CE 4.31Å
20Y90.4Very high94.3Very high96 Ų9637.2 Ų37.238%0.37621%0.213SC..PPolyproline II helixtrans-69.4159.8170.9-58.6-60.7000111.2C22 Q23 M24 V509Y20-C22 VanDerWaalsContact C-N 3.25Å; Y20-C22 PolarHBondContact O-N 3.05Å; Y20-Q23 HydrophobicContact CD2-CG 4.34Å; Y20-Q23 WeakPolarHBondContact O-CA 3.29Å; Y20-Q23 WeakPolarHBondContact O-CB 3.47Å; Y20-Q23 PolarHBondContact O-N 3.11Å; Y20-M24 PolarHBondContact O-N 2.88Å; Y20-V509 HydrophobicContact CD1-CG1 3.44Å; Y20-V509 VanDerWaalsContact CD1-CG1 3.44Å; Y20-V509 HydrophobicContact CD2-CG1 4.09Å; Y20-V509 HydrophobicContact CD2-CG2 3.99Å; Y20-V509 HydrophobicContact CE1-CG1 3.8Å; Y20-V509 HydrophobicContact CE2-CG1 4.4Å; Y20-V509 HydrophobicContact CG-CB 4.49Å; Y20-V509 HydrophobicContact CG-CG1 3.61Å; Y20-V509 HydrophobicContact CG-CG2 3.98Å
21G89.8Confident94.5Very high55 Ų5535.1 Ų35.157%0.56719%0.191SC*.Hα-helixtrans-56.6-36.9178.100000113.7M24 S25G21-M24 PolarHBondContact O-N 2.93Å; G21-S25 WeakPolarHBondContact O-CB 3.32Å; G21-S25 PolarHBondContact O-N 2.9Å; G21-S25 PolarHBondContact O-OG 3.42Å
22C89.9Confident94.6Very high14 Ų1436.8 Ų36.810%0.09520%0.199CC..Hα-helixtrans-66.4-36.6174.3660000112.6Y20 S25 M26 A506 V509Y20-C22 VanDerWaalsContact C-N 3.25Å; Y20-C22 PolarHBondContact O-N 3.05Å; C22-S25 PolarHBondContact O-N 3.19Å; C22-M26 VanDerWaalsContact O-CB 3.31Å; C22-M26 WeakPolarHBondContact O-CB 3.23Å; C22-M26 PolarHBondContact O-N 3.48Å; C22-A506 HydrophobicContact CB-CB 4.04Å; C22-V509 WeakPolarHBondContact SG-CG2 3.43Å
23Q93.7Very high94.7Very high2 Ų233.5 Ų33.51%0.00918%0.179CC..Hα-helixtrans-68.9-43.1176.9-65.6177-34.300110.2H17 P19 Y20 S25 M26 M27 T48 S53H17-Q23 PolarHBondContact CE1-OE1 2.96Å; P19-Q23 VanDerWaalsContact CA-OE1 3.29Å; P19-Q23 HydrophobicContact CB-CB 4.15Å; Y20-Q23 HydrophobicContact CD2-CG 4.34Å; Y20-Q23 WeakPolarHBondContact O-CA 3.29Å; Y20-Q23 WeakPolarHBondContact O-CB 3.47Å; Y20-Q23 PolarHBondContact O-N 3.11Å; Q23-S25 PolarHBondContact O-N 2.97Å; Q23-M26 PolarHBondContact O-N 2.96Å; Q23-M27 WeakPolarHBondContact O-CB 3.42Å; Q23-M27 VanDerWaalsContact O-CG 3.25Å; Q23-M27 WeakPolarHBondContact O-CG 3.3Å; Q23-M27 PolarHBondContact O-N 3.37Å; Q23-T48 VanDerWaalsContact CG-O 3.25Å; Q23-T48 WeakPolarHBondContact CG-O 3.49Å; Q23-T48 PolarHBondContact NE2-O 2.85Å; Q23-S53 WeakPolarHBondContact CB-OG 3.47Å; Q23-S53 WeakPolarHBondContact CG-OG 3.27Å
24M94.7Very high94.7Very high57 Ų5733.5 Ų33.528%0.28118%0.179SC..Hα-helixtrans-59.1-45.4173.5-72-59.9-65.400112.1V6 I8 P19 Y20 G21 M26 M27 T28V6-M24 HydrophobicContact CB-CE 4.26Å; V6-M24 HydrophobicContact CB-SD 4.28Å; V6-M24 HydrophobicContact CG1-SD 4.28Å; V6-M24 HydrophobicContact CG2-CE 4.4Å; V6-M24 HydrophobicContact CG2-SD 4.02Å; I8-M24 HydrophobicContact CD1-CE 3.81Å; I8-M24 HydrophobicContact CD1-SD 4.08Å; I8-M24 HydrophobicContact CG1-CE 3.77Å; P19-M24 HydrophobicContact CB-CG 4.08Å; P19-M24 HydrophobicContact CB-SD 3.92Å; P19-M24 HydrophobicContact CG-CG 3.95Å; P19-M24 HydrophobicContact CG-SD 3.41Å; P19-M24 WeakPolarHBondContact CG-SD 3.31Å; Y20-M24 PolarHBondContact O-N 2.88Å; G21-M24 PolarHBondContact O-N 2.93Å; M24-M26 PolarHBondContact O-N 3.3Å; M24-M27 PolarHBondContact O-N 3.39Å; M24-M27 HydrophobicContact SD-CE 3.73Å; M24-T28 WeakPolarHBondContact O-CB 3.32Å; M24-T28 PolarHBondContact O-N 3.4Å; M24-T28 PolarHBondContact O-OG1 2.83Å
25S94.2Very high94.7Very high56 Ų5636.4 Ų36.439%0.39219%0.192SC..Hα-helixtrans-61.9-44.3177.7-58.20000111.6G21 C22 Q23 T28 R29G21-S25 WeakPolarHBondContact O-CB 3.32Å; G21-S25 PolarHBondContact O-N 2.9Å; G21-S25 PolarHBondContact O-OG 3.42Å; C22-S25 PolarHBondContact O-N 3.19Å; Q23-S25 PolarHBondContact O-N 2.97Å; S25-T28 PolarHBondContact O-N 3.35Å; S25-R29 WeakPolarHBondContact O-CG 3.33Å; S25-R29 PolarHBondContact O-N 3.12Å; S25-R29 VanDerWaalsContact O-N 3.14Å
26M95.2Very high94.8Very high1 Ų139.8 Ų39.81%0.00521%0.21CC..Hα-helixtrans-63.7-50.5177.7-178.9173.220.400111.9C22 Q23 M24 T28 R29 V30 L42 S53 M482 L504C22-M26 VanDerWaalsContact O-CB 3.31Å; C22-M26 WeakPolarHBondContact O-CB 3.23Å; C22-M26 PolarHBondContact O-N 3.48Å; Q23-M26 PolarHBondContact O-N 2.96Å; M24-M26 PolarHBondContact O-N 3.3Å; M26-T28 PolarHBondContact O-N 2.77Å; M26-R29 PolarHBondContact O-N 3.34Å; M26-R29 VanDerWaalsContact O-N 3.16Å; M26-V30 WeakPolarHBondContact O-CG2 3.47Å; M26-V30 PolarHBondContact O-N 2.94Å; M26-L42 HydrophobicContact CG-CD1 4.08Å; M26-S53 WeakPolarHBondContact CE-OG 3.31Å; M26-M482 HydrophobicContact SD-SD 3.61Å; M26-M482 VanDerWaalsContact SD-SD 3.61Å; M26-L504 VanDerWaalsContact CA-CD2 3.46Å; M26-L504 HydrophobicContact CB-CD2 3.91Å
27M97.4Very high94.9Very high0 Ų043.5 Ų43.50%022%0.223CC..Hα-helixtrans-60.1-36.2177.5-68.1-170.9-6900111.9V6 I8 V13 F15 P19 Q23 M24 V30 I31 C56 A57V6-M27 HydrophobicContact CG2-CE 4.4Å; I8-M27 HydrophobicContact CD1-CB 3.6Å; I8-M27 HydrophobicContact CD1-CE 3.95Å; I8-M27 HydrophobicContact CD1-SD 4.39Å; V13-M27 HydrophobicContact CG1-SD 3.84Å; F15-M27 HydrophobicContact CD2-CE 4.17Å; F15-M27 HydrophobicContact CD2-SD 3.73Å; F15-M27 HydrophobicContact CE2-CE 4.39Å; F15-M27 HydrophobicContact CE2-SD 3.84Å; P19-M27 HydrophobicContact CB-CE 3.85Å; P19-M27 HydrophobicContact CG-CE 4.31Å; Q23-M27 WeakPolarHBondContact O-CB 3.42Å; Q23-M27 VanDerWaalsContact O-CG 3.25Å; Q23-M27 WeakPolarHBondContact O-CG 3.3Å; Q23-M27 PolarHBondContact O-N 3.37Å; M24-M27 PolarHBondContact O-N 3.39Å; M24-M27 HydrophobicContact SD-CE 3.73Å; M27-V30 PolarHBondContact O-N 3.27Å; M27-I31 WeakPolarHBondContact O-CB 3.37Å; M27-I31 WeakPolarHBondContact O-CG1 3Å; M27-I31 PolarHBondContact O-N 3.5Å; M27-C56 HydrophobicContact SD-CB 4.4Å; M27-A57 HydrophobicContact CB-CB 3.91Å; M27-A57 HydrophobicContact CG-CB 3.9Å
28T97.8Very high95.3Very high47 Ų4743.6 Ų43.629%0.28822%0.224SC..Hα-helixtrans-61.3-46.3175-58.20000112I8 R9 M24 S25 M26 I31 E32I8-T28 HydrophobicContact CG2-CG2 4.28Å; I8-T28 WeakPolarHBondContact CG2-OG1 3.4Å; R9-T28 HydrophobicContact CG-CG2 4.5Å; M24-T28 WeakPolarHBondContact O-CB 3.32Å; M24-T28 PolarHBondContact O-N 3.4Å; M24-T28 PolarHBondContact O-OG1 2.83Å; S25-T28 PolarHBondContact O-N 3.35Å; M26-T28 PolarHBondContact O-N 2.77Å; T28-I31 PolarHBondContact O-N 3.29Å; T28-E32 VanDerWaalsContact O-CB 3.31Å; T28-E32 WeakPolarHBondContact O-CB 3.34Å; T28-E32 PolarHBondContact O-N 2.72Å
29R97.8Very high95.7Very high59 Ų5937.3 Ų37.322%0.22320%0.198CC..Hα-helixtrans-69.4-35.8178.4-65.5-60.8-173.8163.34113S25 M26 E32 S33 L42 L504S25-R29 WeakPolarHBondContact O-CG 3.33Å; S25-R29 PolarHBondContact O-N 3.12Å; S25-R29 VanDerWaalsContact O-N 3.14Å; M26-R29 PolarHBondContact O-N 3.34Å; M26-R29 VanDerWaalsContact O-N 3.16Å; R29-E32 WeakPolarHBondContact CD-OE2 3.35Å; R29-E32 IonicContact NH1-OE2 3.39Å; R29-E32 PolarHBondContact NH1-OE2 2.84Å; R29-S33 VanDerWaalsContact O-CB 3.26Å; R29-S33 WeakPolarHBondContact O-CB 3.49Å; R29-S33 PolarHBondContact O-N 3.18Å; R29-L42 HydrophobicContact CB-CD2 3.88Å; R29-L504 HydrophobicContact CG-CB 4.25Å; R29-L504 HydrophobicContact CG-CD2 4.48Å
30V98.2Very high96Very high0 Ų036.4 Ų36.40%019%0.192CC..Hα-helixtrans-61.8-50.5172.6171.40000110.1M26 M27 E32 S33 L34 L42 L54 A57 I480M26-V30 WeakPolarHBondContact O-CG2 3.47Å; M26-V30 PolarHBondContact O-N 2.94Å; M27-V30 PolarHBondContact O-N 3.27Å; V30-E32 PolarHBondContact O-N 3.13Å; V30-S33 VanDerWaalsContact O-CB 3.31Å; V30-S33 WeakPolarHBondContact O-CB 3.45Å; V30-S33 PolarHBondContact O-N 3Å; V30-L34 HydrophobicContact CG1-CD1 3.93Å; V30-L34 HydrophobicContact CG1-CG 4.46Å; V30-L34 VanDerWaalsContact O-CG 3.23Å; V30-L34 WeakPolarHBondContact O-CG 3.4Å; V30-L34 PolarHBondContact O-N 3.01Å; V30-L42 HydrophobicContact CG2-CD1 3.59Å; V30-L54 HydrophobicContact CG2-CD2 3.9Å; V30-A57 HydrophobicContact CB-CB 3.84Å; V30-A57 HydrophobicContact CG1-CB 3.58Å; V30-I480 HydrophobicContact CB-CD1 4.45Å; V30-I480 HydrophobicContact CG1-CD1 3.88Å; V30-I480 HydrophobicContact CG2-CD1 4.46Å
31I98.5Very high96.3Very high0 Ų031.9 Ų31.90%017%0.174CC..Hα-helixtrans-63.6-42.3179.9-72.1162.5000111.4I8 R9 V11 V13 M27 T28 S33 L34 E35 A57I8-I31 HydrophobicContact CB-CD1 3.74Å; I8-I31 HydrophobicContact CD1-CD1 4.47Å; I8-I31 HydrophobicContact CG2-CD1 3.71Å; R9-I31 HydrophobicContact CB-CG2 4Å; R9-I31 HydrophobicContact CG-CG2 4.48Å; V11-I31 HydrophobicContact CB-CD1 4.02Å; V11-I31 HydrophobicContact CB-CG2 4.38Å; V11-I31 HydrophobicContact CG1-CD1 4.23Å; V11-I31 HydrophobicContact CG2-CD1 4.43Å; V11-I31 HydrophobicContact CG2-CG2 3.66Å; V13-I31 HydrophobicContact CG2-CD1 3.69Å; M27-I31 WeakPolarHBondContact O-CB 3.37Å; M27-I31 WeakPolarHBondContact O-CG1 3Å; M27-I31 PolarHBondContact O-N 3.5Å; T28-I31 PolarHBondContact O-N 3.29Å; I31-S33 VanDerWaalsContact C-N 3.31Å; I31-S33 PolarHBondContact O-N 2.95Å; I31-L34 PolarHBondContact O-N 3.33Å; I31-E35 HydrophobicContact CG2-CG 4.23Å; I31-E35 WeakPolarHBondContact O-CB 3.28Å; I31-E35 WeakPolarHBondContact O-CG 3.43Å; I31-E35 PolarHBondContact O-N 2.91Å; I31-A57 HydrophobicContact CD1-CB 4.42Å; I31-A57 HydrophobicContact CG1-CB 4.22Å
32E98.3Very high96.5Very high36 Ų3629.3 Ų29.317%0.16815%0.147CC..Hα-helixtrans-58.5-42.3174.9-175.7176.9-153.500112R9 T28 R29 V30 L34 E35 N36 L502R9-E32 IonicContact NH1-OE1 2.75Å; T28-E32 VanDerWaalsContact O-CB 3.31Å; T28-E32 WeakPolarHBondContact O-CB 3.34Å; T28-E32 PolarHBondContact O-N 2.72Å; R29-E32 WeakPolarHBondContact CD-OE2 3.35Å; R29-E32 IonicContact NH1-OE2 3.39Å; R29-E32 PolarHBondContact NH1-OE2 2.84Å; V30-E32 PolarHBondContact O-N 3.13Å; E32-L34 PolarHBondContact O-N 3.37Å; E32-E35 PolarHBondContact O-N 3.39Å; E32-N36 VanDerWaalsContact O-CB 3.31Å; E32-N36 WeakPolarHBondContact O-CB 3.41Å; E32-N36 PolarHBondContact O-N 3.27Å; E32-L502 HydrophobicContact CB-CD1 4.13Å; E32-L502 VanDerWaalsContact CD-CD2 3.48Å; E32-L502 HydrophobicContact CG-CD1 3.85Å; E32-L502 HydrophobicContact CG-CD2 3.97Å; E32-L502 WeakPolarHBondContact OE2-CD2 3.39Å
33S98Very high96.7Very high0 Ų028.9 Ų28.90%014%0.144CC..Hα-helixtrans-59.6-45175.2172.20000112.2R29 V30 I31 K37 Q38 L502R29-S33 VanDerWaalsContact O-CB 3.26Å; R29-S33 WeakPolarHBondContact O-CB 3.49Å; R29-S33 PolarHBondContact O-N 3.18Å; V30-S33 VanDerWaalsContact O-CB 3.31Å; V30-S33 WeakPolarHBondContact O-CB 3.45Å; V30-S33 PolarHBondContact O-N 3Å; I31-S33 VanDerWaalsContact C-N 3.31Å; I31-S33 PolarHBondContact O-N 2.95Å; S33-K37 PolarHBondContact O-N 2.8Å; S33-K37 VanDerWaalsContact O-N 3.1Å; S33-Q38 WeakPolarHBondContact CA-O 3.24Å; S33-Q38 VanDerWaalsContact CB-O 3.29Å; S33-Q38 WeakPolarHBondContact CB-O 3.26Å; S33-Q38 PolarHBondContact O-N 3.45Å; S33-Q38 PolarHBondContact OG-O 3.29Å; S33-L502 VanDerWaalsContact N-CD1 3.33Å
34L97.8Very high96.5Very high0 Ų028.8 Ų28.80%014%0.144CC..Hα-helixtrans-69.4-40.6179.4-62.7171000112.5V30 I31 E32 W61 I238 H477 I480V30-L34 HydrophobicContact CG1-CD1 3.93Å; V30-L34 HydrophobicContact CG1-CG 4.46Å; V30-L34 VanDerWaalsContact O-CG 3.23Å; V30-L34 WeakPolarHBondContact O-CG 3.4Å; V30-L34 PolarHBondContact O-N 3.01Å; I31-L34 PolarHBondContact O-N 3.33Å; E32-L34 PolarHBondContact O-N 3.37Å; L34-W61 HydrophobicContact CB-CD2 3.71Å; L34-W61 HydrophobicContact CB-CE3 4.25Å; L34-W61 HydrophobicContact CB-CG 3.93Å; L34-W61 HydrophobicContact CB-CZ2 4.06Å; L34-W61 HydrophobicContact CD1-CB 3.78Å; L34-W61 HydrophobicContact CD1-CD2 4Å; L34-W61 HydrophobicContact CD1-CE3 4.22Å; L34-W61 HydrophobicContact CD1-CG 3.82Å; L34-W61 HydrophobicContact CG-CD2 4.39Å; L34-W61 WeakPolarHBondContact O-CZ2 3.38Å; L34-I238 HydrophobicContact CD2-CB 4.29Å; L34-I238 HydrophobicContact CD2-CD1 3.55Å; L34-I238 HydrophobicContact CD2-CG1 3.64Å; L34-I238 HydrophobicContact CD2-CG2 3.62Å; L34-H477 PolarHBondContact O-NE2 3.33Å; L34-I480 HydrophobicContact CD2-CD1 4.36Å
35E96.5Very high96Very high63 Ų6326.1 Ų26.129%0.29413%0.131SC..Hα-helixtrans-67.9-43.1178-72.9179.9159.400112.2R9 I31 E32R9-E35 IonicContact CZ-OE2 3.51Å; R9-E35 IonicContact NE-OE2 3.53Å; R9-E35 PolarHBondContact NE-OE2 3.18Å; R9-E35 IonicContact NH2-OE2 3.93Å; R9-E35 PolarHBondContact NH2-OE2 3.34Å; I31-E35 HydrophobicContact CG2-CG 4.23Å; I31-E35 WeakPolarHBondContact O-CB 3.28Å; I31-E35 WeakPolarHBondContact O-CG 3.43Å; I31-E35 PolarHBondContact O-N 2.91Å; E32-E35 PolarHBondContact O-N 3.39Å
36N96.9Very high95.4Very high73 Ų7324.5 Ų24.539%0.3912%0.118SC..Hα-helixtrans-91.9-1.6-172.5-63.7-15.2000114.1E32 Q38E32-N36 VanDerWaalsContact O-CB 3.31Å; E32-N36 WeakPolarHBondContact O-CB 3.41Å; E32-N36 PolarHBondContact O-N 3.27Å; N36-Q38 VanDerWaalsContact C-N 3.29Å; N36-Q38 HydrophobicContact CB-CB 4.24Å; N36-Q38 HydrophobicContact CB-CG 3.88Å; N36-Q38 PolarHBondContact ND2-OE1 3.33Å; N36-Q38 PolarHBondContact O-N 3.25Å
37K96.6Very high94.5Very high108 Ų10826.5 Ų26.547%0.4714%0.139SC..THydrogen-bonded Turntrans54.444.4-171.1-53.9-154.2175.5-160.20112.5S33 D236 H477S33-K37 PolarHBondContact O-N 2.8Å; S33-K37 VanDerWaalsContact O-N 3.1Å; K37-D236 IonicContact NZ-OD1 3.52Å; K37-D236 PolarHBondContact NZ-OD1 3.05Å; K37-D236 IonicContact NZ-OD2 3.27Å; K37-H477 CarbonylContact C-O 3.54Å; K37-H477 WeakPolarHBondContact CA-O 3.48Å; K37-H477 WeakPolarHBondContact CB-O 3.32Å; K37-H477 VanDerWaalsContact CE-CE1 3.46Å; K37-H477 WeakPolarHBondContact CE-CE1 3.34Å; K37-H477 VanDerWaalsContact CE-ND1 3.33Å; K37-H477 WeakPolarHBondContact CE-ND1 3.49Å; K37-H477 VanDerWaalsContact CG-CE1 3.48Å; K37-H477 WeakPolarHBondContact CG-CE1 3.39Å
38Q97.8Very high93.8Very high70 Ų7026.5 Ų26.533%0.32714%0.14SC..  trans-117.8135.4-173.7-79.3-179.7-29.700111S33 N36 P501 L502S33-Q38 WeakPolarHBondContact CA-O 3.24Å; S33-Q38 VanDerWaalsContact CB-O 3.29Å; S33-Q38 WeakPolarHBondContact CB-O 3.26Å; S33-Q38 PolarHBondContact O-N 3.45Å; S33-Q38 PolarHBondContact OG-O 3.29Å; N36-Q38 VanDerWaalsContact C-N 3.29Å; N36-Q38 HydrophobicContact CB-CB 4.24Å; N36-Q38 HydrophobicContact CB-CG 3.88Å; N36-Q38 PolarHBondContact ND2-OE1 3.33Å; N36-Q38 PolarHBondContact O-N 3.25Å; Q38-P501 HydrophobicContact CB-CG 3.94Å; Q38-P501 HydrophobicContact CG-CG 4.05Å; Q38-L502 HydrophobicContact CB-CD1 4.03Å; Q38-L502 HydrophobicContact CB-CG 4.33Å
39N98.2Very high93.2Very high28 Ų2825.6 Ų25.615%0.1514%0.139CC..  trans-67.2148.8176.5-56.6-37.2000111.6V479 V498 Q499 F500 P501 L502N39-V479 CarbonylContact C-O 3.55Å; N39-V479 VanDerWaalsContact CA-O 3.25Å; N39-V479 WeakPolarHBondContact CA-O 3.46Å; N39-V479 WeakPolarHBondContact CB-O 3.39Å; N39-V479 PolarHBondContact OD1-N 3.28Å; N39-V498 VanDerWaalsContact ND2-CG1 3.29Å; N39-V498 WeakPolarHBondContact ND2-CG1 3.04Å; N39-Q499 WeakPolarHBondContact CB-O 3.32Å; N39-Q499 PolarHBondContact ND2-O 2.92Å; N39-F500 HydrophobicContact CB-CD1 3.51Å; N39-F500 HydrophobicContact CB-CE1 3.77Å; N39-F500 HydrophobicContact CB-CG 4.26Å; N39-P501 WeakPolarHBondContact O-CD 3.32Å; N39-L502 PolarHBondContact O-N 3.41Å
40C97.9Very high92.9Very high0 Ų023.6 Ų23.60%013%0.132CC..EExtended strand (participates in β ladder)trans-133.7132.9-174.1-167.80000113L42 V479 I480 L481 L502C40-L42 VanDerWaalsContact SG-CD2 3.53Å; C40-V479 PolarHBondContact N-O 3.26Å; C40-I480 HydrophobicContact CB-CG1 4.23Å; C40-I480 HydrophobicContact CB-CG2 4.39Å; C40-I480 WeakPolarHBondContact O-CA 3.34Å; C40-L481 PolarHBondContact O-N 3.44Å; C40-L502 CarbonylContact C-O 3.58Å; C40-L502 WeakPolarHBondContact CA-O 3.14Å; C40-L502 HydrophobicContact CB-CB 4.05Å
41L96.6Very high92.7Very high0 Ų025 Ų250%014%0.141CC..EExtended strand (participates in β ladder)trans-104.2125.4167.7-66.9179.8000110.4L481 L486 L489 L492 F500 L502 R503 L504L41-L481 HydrophobicContact CD2-CB 3.7Å; L41-L481 HydrophobicContact CD2-CD1 3.67Å; L41-L481 HydrophobicContact CD2-CG 3.97Å; L41-L486 HydrophobicContact CD2-CD1 4.49Å; L41-L489 HydrophobicContact CB-CD2 4.49Å; L41-L489 HydrophobicContact CD1-CB 4.09Å; L41-L489 HydrophobicContact CD1-CD2 4.4Å; L41-L492 HydrophobicContact CD2-CD2 3.92Å; L41-F500 HydrophobicContact CB-CB 4.43Å; L41-F500 HydrophobicContact CD1-CB 3.9Å; L41-F500 HydrophobicContact CD1-CD2 3.99Å; L41-F500 HydrophobicContact CD1-CG 3.95Å; L41-F500 HydrophobicContact CD2-CB 4.38Å; L41-F500 HydrophobicContact CD2-CD1 3.63Å; L41-F500 HydrophobicContact CD2-CD2 3.91Å; L41-F500 HydrophobicContact CD2-CE1 3.77Å; L41-F500 HydrophobicContact CD2-CE2 4.04Å; L41-F500 HydrophobicContact CD2-CG 3.72Å; L41-F500 HydrophobicContact CD2-CZ 3.99Å; L41-F500 HydrophobicContact CG-CB 3.54Å; L41-F500 HydrophobicContact CG-CD1 3.68Å; L41-F500 HydrophobicContact CG-CD2 3.88Å; L41-F500 HydrophobicContact CG-CE1 4.34Å; L41-F500 HydrophobicContact CG-CG 3.43Å; L41-F500 VanDerWaalsContact CG-CG 3.43Å; L41-L502 PolarHBondContact N-O 2.99Å; L41-R503 HydrophobicContact CB-CG 4.38Å; L41-R503 CarbonylContact O-C 3.5Å; L41-R503 VanDerWaalsContact O-CA 3.26Å; L41-R503 WeakPolarHBondContact O-CA 3.5Å; L41-L504 PolarHBondContact O-N 3.24Å
42L95.5Very high92.6Very high1 Ų125.3 Ų25.31%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-123.4117.1179.4-57.8171.6000108.9M26 R29 V30 C40 L54 I480 L481 M482 S483 L486 L504M26-L42 HydrophobicContact CG-CD1 4.08Å; R29-L42 HydrophobicContact CB-CD2 3.88Å; V30-L42 HydrophobicContact CG2-CD1 3.59Å; C40-L42 VanDerWaalsContact SG-CD2 3.53Å; L42-L54 HydrophobicContact CD1-CD2 3.99Å; L42-I480 HydrophobicContact CD1-CG2 3.66Å; L42-I480 HydrophobicContact CG-CG2 4.41Å; L42-L481 PolarHBondContact N-O 3.07Å; L42-M482 VanDerWaalsContact C-CE 3.42Å; L42-M482 HydrophobicContact CB-CB 4.47Å; L42-M482 HydrophobicContact CB-CE 3.86Å; L42-M482 HydrophobicContact CB-SD 3.38Å; L42-M482 WeakPolarHBondContact CB-SD 3.38Å; L42-M482 HydrophobicContact CD1-SD 4.2Å; L42-M482 HydrophobicContact CG-SD 4.44Å; L42-M482 WeakPolarHBondContact O-CA 3.39Å; L42-M482 WeakPolarHBondContact O-CE 3.46Å; L42-S483 PolarHBondContact O-N 3.37Å; L42-S483 VanDerWaalsContact O-N 3.14Å; L42-L486 WeakPolarHBondContact O-CD1 3.44Å; L42-L504 HydrophobicContact CD2-CB 3.73Å; L42-L504 HydrophobicContact CD2-CD2 4.21Å
43E93Very high92.5Very high5 Ų523.6 Ų23.62%0.02313%0.134CC..EExtended strand (participates in β ladder)trans-107126.9164.8-176.2173.9166.200108.9S483 L486 S487 L489 L504 E505 A506 S806E43-S483 WeakPolarHBondContact CA-O 3.48Å; E43-L486 HydrophobicContact CB-CB 4.32Å; E43-S487 VanDerWaalsContact CD-OG 3.31Å; E43-S487 PolarHBondContact OE1-OG 2.78Å; E43-S487 WeakPolarHBondContact OE2-CA 3.46Å; E43-S487 WeakPolarHBondContact OE2-CB 3.46Å; E43-S487 PolarHBondContact OE2-N 2.94Å; E43-S487 PolarHBondContact OE2-OG 2.79Å; E43-L489 HydrophobicContact CB-CD2 4.45Å; E43-L504 PolarHBondContact N-O 3.45Å; E43-E505 HydrophobicContact CB-CG 4.36Å; E43-A506 PolarHBondContact O-N 3.35Å; E43-S806 WeakPolarHBondContact OE1-CB 3.47Å; E43-S806 PolarHBondContact OE1-OG 3.09Å
44S90.2Very high92.4Very high1 Ų123.6 Ų23.61%0.00713%0.134CC..  trans-149.7131176.4-176.70000109.3T48 K50 M482 S483 G484S44-T48 PolarHBondContact OG-OG1 2.91Å; S44-K50 WeakPolarHBondContact O-CD 3.21Å; S44-K50 PolarHBondContact O-NZ 3.3Å; S44-M482 VanDerWaalsContact CB-CE 3.49Å; S44-S483 PolarHBondContact N-O 3.35Å; S44-G484 VanDerWaalsContact O-CA 3.27Å; S44-G484 WeakPolarHBondContact O-CA 3.42Å
45P84.3Confident92.5Very high1 Ų123.6 Ų23.61%0.00613%0.134CC..  trans-52.9164.1-173.9-26.132.1000114.6T48 K50 A506 H508 W808P45-T48 HydrophobicContact CB-CG2 3.96Å; P45-T48 HydrophobicContact CG-CG2 4.3Å; P45-T48 PolarHBondContact O-OG1 3.31Å; P45-K50 VanDerWaalsContact C-NZ 3.29Å; P45-K50 PolarHBondContact O-NZ 3.09Å; P45-A506 WeakPolarHBondContact CD-O 3.46Å; P45-H508 WeakPolarHBondContact CB-CD2 3.48Å; P45-H508 HydrophobicContact CG-CB 4.04Å; P45-W808 HydrophobicContact CB-CD2 4.34Å; P45-W808 HydrophobicContact CG-CB 4.19Å; P45-W808 HydrophobicContact CG-CD2 3.96Å; P45-W808 HydrophobicContact CG-CG 3.67Å
46T80.4Confident92.5Very high21 Ų2120.6 Ų20.613%0.12912%0.12CC..THydrogen-bonded Turntrans-56.5149.2167.139.20000110.4T48 H508 G775T46-T48 VanDerWaalsContact C-N 3.29Å; T46-T48 PolarHBondContact O-N 2.75Å; T46-H508 PolarHBondContact O-NE2 3Å; T46-G775 PolarHBondContact OG1-O 2.83Å
47G76.9Confident92.6Very high43 Ų4317.1 Ų17.144%0.44310%0.102SC..THydrogen-bonded Turntrans77.9-6.2178.300000117.4G49 R779G47-G49 VanDerWaalsContact C-N 3.34Å; G47-G49 PolarHBondContact O-N 3.08Å; G47-R779 WeakPolarHBondContact CA-O 3.44Å
48T81.8Confident92.7Very high1 Ų112 Ų121%0.0068%0.08CC..SBendtrans-85.70.3-176.762.80000114.9Q23 S44 P45 T46 V509Q23-T48 VanDerWaalsContact CG-O 3.25Å; Q23-T48 WeakPolarHBondContact CG-O 3.49Å; Q23-T48 PolarHBondContact NE2-O 2.85Å; S44-T48 PolarHBondContact OG-OG1 2.91Å; P45-T48 HydrophobicContact CB-CG2 3.96Å; P45-T48 HydrophobicContact CG-CG2 4.3Å; P45-T48 PolarHBondContact O-OG1 3.31Å; T46-T48 VanDerWaalsContact C-N 3.29Å; T46-T48 PolarHBondContact O-N 2.75Å; T48-V509 HydrophobicContact CG2-CG2 4.22Å
49G86.8Confident92.7Very high27 Ų278.8 Ų8.828%0.2787%0.065SC..  trans78.633.5-179.800000115.2G47 T51 L52 S53G47-G49 VanDerWaalsContact C-N 3.34Å; G47-G49 PolarHBondContact O-N 3.08Å; G49-T51 PolarHBondContact O-N 3.19Å; G49-L52 PolarHBondContact O-N 3.12Å; G49-S53 PolarHBondContact O-N 3.09Å; G49-S53 PolarHBondContact O-OG 3.35Å
50K91.2Very high92.6Very high17 Ų177.6 Ų7.67%0.0746%0.059CC..Hα-helixtrans-39.7-63.5175.9-71.3-173.1-81.7-83.10114.1S44 P45 L52 S53 L54 M482S44-K50 WeakPolarHBondContact O-CD 3.21Å; S44-K50 PolarHBondContact O-NZ 3.3Å; P45-K50 VanDerWaalsContact C-NZ 3.29Å; P45-K50 PolarHBondContact O-NZ 3.09Å; K50-L52 VanDerWaalsContact C-N 3.28Å; K50-L52 PolarHBondContact O-N 2.65Å; K50-S53 PolarHBondContact O-N 3.26Å; K50-S53 VanDerWaalsContact O-N 3.15Å; K50-L54 PolarHBondContact O-N 2.89Å; K50-M482 HydrophobicContact CB-CG 4.18Å; K50-M482 HydrophobicContact CB-SD 4.31Å; K50-M482 HydrophobicContact CD-CE 3.53Å; K50-M482 HydrophobicContact CD-CG 3.92Å; K50-M482 HydrophobicContact CD-SD 4.14Å; K50-M482 HydrophobicContact CG-CE 3.82Å; K50-M482 HydrophobicContact CG-CG 4.29Å; K50-M482 HydrophobicContact CG-SD 4.09Å
51T94.3Very high92.6Very high30 Ų308.3 Ų8.318%0.1846%0.061CC..Hα-helixtrans-57-42-176.6-55.30000111.8G49 L54 L55 Y101 V112 E115 D242G49-T51 PolarHBondContact O-N 3.19Å; T51-L54 PolarHBondContact O-N 2.88Å; T51-L55 HydrophobicContact CG2-CD1 4.16Å; T51-L55 WeakPolarHBondContact O-CG 3.32Å; T51-L55 PolarHBondContact O-N 2.82Å; T51-Y101 WeakPolarHBondContact CG2-OH 3.38Å; T51-V112 HydrophobicContact CG2-CB 4.08Å; T51-V112 HydrophobicContact CG2-CG1 3.86Å; T51-V112 HydrophobicContact CG2-CG2 3.82Å; T51-E115 HydrophobicContact CG2-CB 4.11Å; T51-E115 HydrophobicContact CG2-CG 4.14Å; T51-D242 PolarHBondContact OG1-OD2 3.45Å
52L95.3Very high92.6Very high7 Ų78.5 Ų8.54%0.0376%0.063CC..Hα-helixtrans-66.5-41.7179.7-16862.6000111.8F15 P16 G49 K50 L55 C56 E115 T119F15-L52 HydrophobicContact CE1-CD2 3.83Å; F15-L52 HydrophobicContact CE1-CG 4.33Å; F15-L52 HydrophobicContact CE2-CB 4.39Å; F15-L52 HydrophobicContact CE2-CD2 4.21Å; F15-L52 HydrophobicContact CE2-CG 3.8Å; F15-L52 HydrophobicContact CZ-CB 4.08Å; F15-L52 HydrophobicContact CZ-CD2 3.59Å; F15-L52 HydrophobicContact CZ-CG 3.61Å; P16-L52 HydrophobicContact CG-CD1 4Å; P16-L52 HydrophobicContact CG-CD2 4.01Å; P16-L52 HydrophobicContact CG-CG 4.4Å; G49-L52 PolarHBondContact O-N 3.12Å; K50-L52 VanDerWaalsContact C-N 3.28Å; K50-L52 PolarHBondContact O-N 2.65Å; L52-L55 PolarHBondContact O-N 2.94Å; L52-C56 WeakPolarHBondContact O-CB 3.42Å; L52-C56 PolarHBondContact O-N 3.28Å; L52-C56 PolarHBondContact O-SG 3.26Å; L52-E115 HydrophobicContact CD1-CB 4.46Å; L52-T119 HydrophobicContact CD1-CG2 3.47Å; L52-T119 VanDerWaalsContact CD1-CG2 3.47Å
53S96Very high92.6Very high0 Ų011.6 Ų11.60%08%0.077CC..Hα-helixtrans-63.9-41.2174.8-64.60000112.9Q23 M26 G49 K50 A57Q23-S53 WeakPolarHBondContact CB-OG 3.47Å; Q23-S53 WeakPolarHBondContact CG-OG 3.27Å; M26-S53 WeakPolarHBondContact CE-OG 3.31Å; G49-S53 PolarHBondContact O-N 3.09Å; G49-S53 PolarHBondContact O-OG 3.35Å; K50-S53 PolarHBondContact O-N 3.26Å; K50-S53 VanDerWaalsContact O-N 3.15Å; S53-A57 WeakPolarHBondContact O-CB 3.44Å; S53-A57 PolarHBondContact O-N 2.93Å; S53-A57 VanDerWaalsContact O-N 3.1Å
54L97.5Very high92.7Very high0 Ų014.8 Ų14.80%09%0.091CC..Hα-helixtrans-59.6-54.1174.4-71.8172.7000111V30 L42 K50 T51 A57 S58 Y101 I240 D242 I480 M482V30-L54 HydrophobicContact CG2-CD2 3.9Å; L42-L54 HydrophobicContact CD1-CD2 3.99Å; K50-L54 PolarHBondContact O-N 2.89Å; T51-L54 PolarHBondContact O-N 2.88Å; L54-A57 PolarHBondContact O-N 2.83Å; L54-S58 WeakPolarHBondContact O-CB 3.49Å; L54-S58 PolarHBondContact O-N 3.3Å; L54-S58 PolarHBondContact O-OG 2.92Å; L54-Y101 HydrophobicContact CB-CE2 4.03Å; L54-Y101 HydrophobicContact CD1-CE2 4.34Å; L54-Y101 WeakPolarHBondContact CD1-OH 3.37Å; L54-I240 HydrophobicContact CD1-CG2 3.85Å; L54-I240 HydrophobicContact CD2-CG2 4.13Å; L54-I240 HydrophobicContact CG-CG2 4.42Å; L54-D242 HydrophobicContact CD1-CB 4.43Å; L54-I480 HydrophobicContact CD2-CG2 4Å; L54-M482 HydrophobicContact CD1-CB 3.75Å; L54-M482 HydrophobicContact CD1-CG 3.83Å; L54-M482 HydrophobicContact CD2-CB 4.44Å; L54-M482 HydrophobicContact CG-CG 4.47Å
55L98.1Very high92.8Very high0 Ų019.1 Ų19.10%011%0.107CC..Hα-helixtrans-59.2-51.5-178.2-71.4171.8000112.2T51 L52 A57 S58 L59 Y101 V112 E115 L116 I213 F215T51-L55 HydrophobicContact CG2-CD1 4.16Å; T51-L55 WeakPolarHBondContact O-CG 3.32Å; T51-L55 PolarHBondContact O-N 2.82Å; L52-L55 PolarHBondContact O-N 2.94Å; L55-A57 PolarHBondContact O-N 3.09Å; L55-S58 PolarHBondContact O-OG 2.77Å; L55-L59 HydrophobicContact CB-CD1 4.46Å; L55-L59 WeakPolarHBondContact O-CB 3.36Å; L55-L59 WeakPolarHBondContact O-CD1 3.16Å; L55-L59 WeakPolarHBondContact O-CG 3.42Å; L55-L59 PolarHBondContact O-N 3.39Å; L55-Y101 HydrophobicContact CD2-CD2 3.78Å; L55-Y101 HydrophobicContact CD2-CE2 3.78Å; L55-Y101 HydrophobicContact CG-CE2 4.04Å; L55-V112 HydrophobicContact CD1-CG1 3.98Å; L55-V112 HydrophobicContact CD2-CG1 4.15Å; L55-V112 HydrophobicContact CG-CG1 4.38Å; L55-E115 HydrophobicContact CD1-CB 4.26Å; L55-L116 HydrophobicContact CD1-CB 3.95Å; L55-I213 HydrophobicContact CD2-CD1 4Å; L55-F215 HydrophobicContact CD2-CE1 4.35Å; L55-F215 HydrophobicContact CD2-CZ 4.41Å
56C97.9Very high93.2Very high0 Ų022.1 Ų22.10%012%0.12CC..Hα-helixtrans-63.8-42.7-177.3-76.20000112.1V13 C14 F15 M27 L52 G60 Y121V13-C56 HydrophobicContact CG1-CB 3.73Å; C14-C56 PolarHBondContact O-SG 2.96Å; C14-C56 VanDerWaalsContact O-SG 3.35Å; F15-C56 HydrophobicContact CD2-CB 3.68Å; F15-C56 HydrophobicContact CE2-CB 3.94Å; M27-C56 HydrophobicContact SD-CB 4.4Å; L52-C56 WeakPolarHBondContact O-CB 3.42Å; L52-C56 PolarHBondContact O-N 3.28Å; L52-C56 PolarHBondContact O-SG 3.26Å; C56-G60 PolarHBondContact O-N 3.15Å; C56-Y121 HydrophobicContact CB-CE2 4.07Å
57A98.1Very high93.6Very high0 Ų027.2 Ų27.20%014%0.144CC..Hα-helixtrans-67.1-46.8179.300000112.2M27 V30 I31 S53 L54 L55 W61M27-A57 HydrophobicContact CB-CB 3.91Å; M27-A57 HydrophobicContact CG-CB 3.9Å; V30-A57 HydrophobicContact CB-CB 3.84Å; V30-A57 HydrophobicContact CG1-CB 3.58Å; I31-A57 HydrophobicContact CD1-CB 4.42Å; I31-A57 HydrophobicContact CG1-CB 4.22Å; S53-A57 WeakPolarHBondContact O-CB 3.44Å; S53-A57 PolarHBondContact O-N 2.93Å; S53-A57 VanDerWaalsContact O-N 3.1Å; L54-A57 PolarHBondContact O-N 2.83Å; L55-A57 PolarHBondContact O-N 3.09Å; A57-W61 WeakPolarHBondContact O-CB 3.24Å; A57-W61 PolarHBondContact O-N 3.32Å; A57-W61 VanDerWaalsContact O-N 3.08Å
58S98.1Very high94.1Very high0 Ų028 Ų280%014%0.141CC..Hα-helixtrans-68-41.1-178.264.10000112.4L54 L55 L62L54-S58 WeakPolarHBondContact O-CB 3.49Å; L54-S58 PolarHBondContact O-N 3.3Å; L54-S58 PolarHBondContact O-OG 2.92Å; L55-S58 PolarHBondContact O-OG 2.77Å; S58-L62 WeakPolarHBondContact O-CB 3.33Å; S58-L62 PolarHBondContact O-N 2.72Å
59L98.1Very high94.3Very high3 Ų330.8 Ų30.82%0.01616%0.156CC..Hα-helixtrans-74.4-39.4-179.5-65.4170.4000111.9L55 W61 L62 E63 I99 L116 Y121 T124 I213L55-L59 HydrophobicContact CB-CD1 4.46Å; L55-L59 WeakPolarHBondContact O-CB 3.36Å; L55-L59 WeakPolarHBondContact O-CD1 3.16Å; L55-L59 WeakPolarHBondContact O-CG 3.42Å; L55-L59 PolarHBondContact O-N 3.39Å; L59-W61 VanDerWaalsContact C-N 3.31Å; L59-W61 PolarHBondContact O-N 2.98Å; L59-L62 PolarHBondContact O-N 2.78Å; L59-E63 PolarHBondContact O-N 3.2Å; L59-I99 HydrophobicContact CD2-CD1 3.94Å; L59-L116 HydrophobicContact CD1-CD1 3.66Å; L59-Y121 HydrophobicContact CB-CD1 3.75Å; L59-Y121 HydrophobicContact CB-CD2 4.11Å; L59-Y121 HydrophobicContact CB-CE1 4.2Å; L59-Y121 HydrophobicContact CB-CG 3.69Å; L59-Y121 HydrophobicContact CD1-CD2 4.43Å; L59-Y121 HydrophobicContact CD1-CG 4.04Å; L59-Y121 HydrophobicContact CG-CG 4.49Å; L59-T124 HydrophobicContact CD2-CG2 3.75Å; L59-I213 HydrophobicContact CD2-CD1 4.37Å
60G97.3Very high94.2Very high2 Ų232.4 Ų32.42%0.02116%0.163CC..Hα-helixtrans-60.4-40.7173.100000112.5V11 C56 K64 Y121V11-G60 VanDerWaalsContact CG1-C 3.48Å; V11-G60 WeakPolarHBondContact CG1-O 3.32Å; C56-G60 PolarHBondContact O-N 3.15Å; G60-K64 PolarHBondContact O-N 2.9Å; G60-Y121 WeakPolarHBondContact CA-OH 3.49Å
61W97.7Very high93.8Very high15 Ų1534.9 Ų34.96%0.05718%0.182CC..Hα-helixtrans-64.8-43.4174.2179.893.1000112.2V11 L34 A57 L59 K64 R65 P97 I238V11-W61 HydrophobicContact CG1-CB 4.32Å; L34-W61 HydrophobicContact CB-CD2 3.71Å; L34-W61 HydrophobicContact CB-CE3 4.25Å; L34-W61 HydrophobicContact CB-CG 3.93Å; L34-W61 HydrophobicContact CB-CZ2 4.06Å; L34-W61 HydrophobicContact CD1-CB 3.78Å; L34-W61 HydrophobicContact CD1-CD2 4Å; L34-W61 HydrophobicContact CD1-CE3 4.22Å; L34-W61 HydrophobicContact CD1-CG 3.82Å; L34-W61 HydrophobicContact CG-CD2 4.39Å; L34-W61 WeakPolarHBondContact O-CZ2 3.38Å; A57-W61 WeakPolarHBondContact O-CB 3.24Å; A57-W61 PolarHBondContact O-N 3.32Å; A57-W61 VanDerWaalsContact O-N 3.08Å; L59-W61 VanDerWaalsContact C-N 3.31Å; L59-W61 PolarHBondContact O-N 2.98Å; W61-K64 PolarHBondContact O-N 3.12Å; W61-R65 VanDerWaalsContact CH2-CD 3.49Å; W61-R65 PolarHBondContact O-N 2.85Å; W61-P97 HydrophobicContact CH2-CG 3.92Å; W61-P97 HydrophobicContact CZ3-CG 3.85Å; W61-I238 HydrophobicContact CE3-CD1 4.21Å; W61-I238 HydrophobicContact CH2-CD1 4.36Å; W61-I238 HydrophobicContact CZ3-CD1 3.65Å
62L96.4Very high93.1Very high5 Ų539.9 Ų39.93%0.02620%0.201CC..Hα-helixtrans-65-41179.9-174.762.8000112.2S58 L59 R65 K66 N96 P97 I99 D212S58-L62 WeakPolarHBondContact O-CB 3.33Å; S58-L62 PolarHBondContact O-N 2.72Å; L59-L62 PolarHBondContact O-N 2.78Å; L62-R65 PolarHBondContact O-N 3.08Å; L62-K66 WeakPolarHBondContact O-CG 3.48Å; L62-K66 PolarHBondContact O-N 3.31Å; L62-N96 HydrophobicContact CD1-CB 4.21Å; L62-P97 WeakPolarHBondContact CD1-O 3.38Å; L62-I99 HydrophobicContact CB-CD1 4.36Å; L62-I99 HydrophobicContact CD2-CD1 3.9Å; L62-I99 HydrophobicContact CD2-CG1 4.42Å; L62-D212 HydrophobicContact CD2-CB 3.93Å
63E95.3Very high92.2Very high66 Ų6645.1 Ų45.131%0.30823%0.229SC..Hα-helixtrans-60.1-49.1174.3-78-173.5171.900111.7L59 R65 K66 M67 Y121L59-E63 PolarHBondContact O-N 3.2Å; E63-R65 VanDerWaalsContact C-N 3.3Å; E63-R65 PolarHBondContact O-N 3.32Å; E63-K66 PolarHBondContact O-N 3.07Å; E63-M67 WeakPolarHBondContact O-CG 3.48Å; E63-M67 PolarHBondContact O-N 3.37Å; E63-Y121 HydrophobicContact CG-CE1 4.47Å; E63-Y121 WeakPolarHBondContact OE1-CD1 3.39Å; E63-Y121 WeakPolarHBondContact OE2-CE1 3.29Å
64K94.8Very high91.3Very high71 Ų7151.7 Ų51.731%0.30926%0.264SS..Hα-helixtrans-55.9-46.6175.9178.7-171.8176.4178.90111G10 V11 G60 W61 K66 M67 C68G10-K64 VanDerWaalsContact C-NZ 3.31Å; G10-K64 VanDerWaalsContact O-CE 3.31Å; G10-K64 WeakPolarHBondContact O-CE 3.4Å; G10-K64 PolarHBondContact O-NZ 3.13Å; V11-K64 HydrophobicContact CB-CD 4.32Å; V11-K64 HydrophobicContact CG2-CD 3.78Å; G60-K64 PolarHBondContact O-N 2.9Å; W61-K64 PolarHBondContact O-N 3.12Å; K64-K66 PolarHBondContact O-N 3.01Å; K64-M67 PolarHBondContact O-N 2.89Å; K64-C68 PolarHBondContact O-N 3.03Å; K64-C68 PolarHBondContact O-SG 2.72Å
65R92.7Very high89.9Confident92 Ų9255.9 Ų55.935%0.34729%0.294SS..Hα-helixtrans-60.3-44.8-179.6-174.5179.2175.885.50.4111.9W61 L62 E63 C68 I69 N96W61-R65 VanDerWaalsContact CH2-CD 3.49Å; W61-R65 PolarHBondContact O-N 2.85Å; L62-R65 PolarHBondContact O-N 3.08Å; E63-R65 VanDerWaalsContact C-N 3.3Å; E63-R65 PolarHBondContact O-N 3.32Å; R65-C68 PolarHBondContact O-N 3.07Å; R65-I69 HydrophobicContact CG-CD1 4.14Å; R65-I69 WeakPolarHBondContact O-CG1 3.25Å; R65-I69 PolarHBondContact O-N 3.29Å; R65-I69 VanDerWaalsContact O-N 3.14Å; R65-N96 PolarHBondContact NE-OD1 3.26Å
66K91.9Very high87.7Confident64 Ų6461.7 Ų61.728%0.27832%0.321SS..Hα-helixtrans-59.9-44.6176-77174.6170.7-159.50112.3L62 E63 K64 I69 S70 N96 D212L62-K66 WeakPolarHBondContact O-CG 3.48Å; L62-K66 PolarHBondContact O-N 3.31Å; E63-K66 PolarHBondContact O-N 3.07Å; K64-K66 PolarHBondContact O-N 3.01Å; K66-I69 PolarHBondContact O-N 3.37Å; K66-S70 PolarHBondContact O-N 3.35Å; K66-N96 WeakPolarHBondContact CG-ND2 3.41Å; K66-D212 WeakPolarHBondContact CE-OD1 3.23Å; K66-D212 IonicContact NZ-OD1 2.95Å; K66-D212 PolarHBondContact NZ-OD1 3.33Å; K66-D212 IonicContact NZ-OD2 3.02Å; K66-D212 PolarHBondContact NZ-OD2 2.56Å
67M89.9Confident85.3Confident129 Ų12965.4 Ų65.464%0.63535%0.347SS*.Hα-helixtrans-60.7-45177.3-68.6174.6-179.900111.6E63 K64 I69 S70 S71E63-M67 WeakPolarHBondContact O-CG 3.48Å; E63-M67 PolarHBondContact O-N 3.37Å; K64-M67 PolarHBondContact O-N 2.89Å; M67-I69 VanDerWaalsContact C-N 3.32Å; M67-I69 PolarHBondContact O-N 2.71Å; M67-S70 PolarHBondContact O-N 3.05Å; M67-S71 PolarHBondContact O-N 3.29Å; M67-S71 PolarHBondContact O-OG 3.14Å
68C87.9Confident83Confident58 Ų5874.6 Ų74.639%0.39238%0.383SS..Hα-helixtrans-64.7-31.5178.6-66.60000113.9K64 R65 S71 K72K64-C68 PolarHBondContact O-N 3.03Å; K64-C68 PolarHBondContact O-SG 2.72Å; R65-C68 PolarHBondContact O-N 3.07Å; C68-S71 WeakPolarHBondContact CA-OG 3.49Å; C68-S71 PolarHBondContact O-OG 2.97Å; C68-K72 WeakPolarHBondContact O-CG 3.36Å; C68-K72 PolarHBondContact O-N 3.4Å
69I85.2Confident80.6Confident60 Ų6080.8 Ų80.831%0.30842%0.416SS..Hα-helixtrans-75.8-43.3176.4-68.2165.4000110.2R65 K66 M67 S71 K72 L73 N96R65-I69 HydrophobicContact CG-CD1 4.14Å; R65-I69 WeakPolarHBondContact O-CG1 3.25Å; R65-I69 PolarHBondContact O-N 3.29Å; R65-I69 VanDerWaalsContact O-N 3.14Å; K66-I69 PolarHBondContact O-N 3.37Å; M67-I69 VanDerWaalsContact C-N 3.32Å; M67-I69 PolarHBondContact O-N 2.71Å; I69-S71 VanDerWaalsContact C-N 3.3Å; I69-S71 PolarHBondContact O-N 3.02Å; I69-K72 PolarHBondContact O-N 3.46Å; I69-K72 VanDerWaalsContact O-N 3.15Å; I69-L73 HydrophobicContact CG2-CD1 4.07Å; I69-L73 PolarHBondContact O-N 3.45Å; I69-L73 VanDerWaalsContact O-N 3.11Å; I69-N96 WeakPolarHBondContact CD1-OD1 3.15Å
70S84Confident78.1Confident62 Ų6286.1 Ų86.143%0.43444%0.444SS..Hα-helixtrans-57.8-44.3175.7-162.90000111.4K66 M67 K72 L73 D74K66-S70 PolarHBondContact O-N 3.35Å; M67-S70 PolarHBondContact O-N 3.05Å; S70-K72 VanDerWaalsContact C-N 3.28Å; S70-K72 PolarHBondContact O-N 3.3Å; S70-L73 PolarHBondContact O-N 3.18Å; S70-D74 PolarHBondContact O-N 3.37Å; S70-D74 VanDerWaalsContact O-N 3.12Å
71S82.3Confident75.7Confident68 Ų6890 Ų9048%0.47646%0.464SS..Hα-helixtrans-65.2-29.1178.759.60000113.8M67 C68 I69 S75M67-S71 PolarHBondContact O-N 3.29Å; M67-S71 PolarHBondContact O-OG 3.14Å; C68-S71 WeakPolarHBondContact CA-OG 3.49Å; C68-S71 PolarHBondContact O-OG 2.97Å; I69-S71 VanDerWaalsContact C-N 3.3Å; I69-S71 PolarHBondContact O-N 3.02Å; S71-S75 PolarHBondContact O-N 3.21Å; S71-S75 PolarHBondContact O-OG 2.95Å
72K79.6Confident72.9Confident135 Ų13593.7 Ų93.759%0.58749%0.488SS*.Hα-helixtrans-73.6-42.1176.6-76.5179.4178.3-167.70111.4C68 I69 S70 D74 S75 E76C68-K72 WeakPolarHBondContact O-CG 3.36Å; C68-K72 PolarHBondContact O-N 3.4Å; I69-K72 PolarHBondContact O-N 3.46Å; I69-K72 VanDerWaalsContact O-N 3.15Å; S70-K72 VanDerWaalsContact C-N 3.28Å; S70-K72 PolarHBondContact O-N 3.3Å; K72-D74 VanDerWaalsContact C-N 3.28Å; K72-D74 PolarHBondContact O-N 3.43Å; K72-S75 WeakPolarHBondContact CA-OG 3.32Å; K72-S75 PolarHBondContact O-N 3.21Å; K72-S75 VanDerWaalsContact O-N 3.1Å; K72-S75 PolarHBondContact O-OG 3.26Å; K72-E76 PolarHBondContact O-N 2.9Å
73L77Confident70.1Confident118 Ų11899.6 Ų99.662%0.61852%0.52SS*.Hα-helixtrans-61.8-35.4176-71.4164.7000112.3I69 S70 S75I69-L73 HydrophobicContact CG2-CD1 4.07Å; I69-L73 PolarHBondContact O-N 3.45Å; I69-L73 VanDerWaalsContact O-N 3.11Å; S70-L73 PolarHBondContact O-N 3.18Å; L73-S75 VanDerWaalsContact C-N 3.3Å; L73-S75 PolarHBondContact O-N 3.08Å
74D76.9Confident67.3Low137 Ų137103.8 Ų103.873%0.73354%0.541SS*.THydrogen-bonded Turntrans-74.1-19.4176.8-65.3-26.2000113.1S70 K72S70-D74 PolarHBondContact O-N 3.37Å; S70-D74 VanDerWaalsContact O-N 3.12Å; K72-D74 VanDerWaalsContact C-N 3.28Å; K72-D74 PolarHBondContact O-N 3.43Å
75S69.8Low64.5Low89 Ų89106.7 Ų106.762%0.62256%0.559SS**THydrogen-bonded Turntrans-95.5-17.5-176.763.60000115.1S71 K72 L73 S77S71-S75 PolarHBondContact O-N 3.21Å; S71-S75 PolarHBondContact O-OG 2.95Å; K72-S75 WeakPolarHBondContact CA-OG 3.32Å; K72-S75 PolarHBondContact O-N 3.21Å; K72-S75 VanDerWaalsContact O-N 3.1Å; K72-S75 PolarHBondContact O-OG 3.26Å; L73-S75 VanDerWaalsContact C-N 3.3Å; L73-S75 PolarHBondContact O-N 3.08Å; S75-S77 PolarHBondContact O-N 2.95Å
76E51.8Low61.9Low121 Ų121107.1 Ų107.157%0.56558%0.576SS**SBendtrans-84.1110.2178.4-73.3173.1-174.300109.5K72K72-E76 PolarHBondContact O-N 2.9Å
77S46.8Very low59.3Low79 Ų79108 Ų10855%0.55259%0.59SS**  trans-63.4143.317748.90000111.6S75 D79 D80S75-S77 PolarHBondContact O-N 2.95Å; S77-D79 PolarHBondContact O-N 2.85Å; S77-D80 PolarHBondContact O-N 2.91Å
78Y50.6Low56.8Low193 Ų193111.3 Ų111.376%0.75760%0.604SS**G310 helixtrans-48.5-21.4-173.5-162.5-103000116.1
79D46.5Very low54.2Low129 Ų129114.5 Ų114.569%0.6962%0.617SS**G310 helixtrans-74.1-29.6-177.4-68.6-32.3000114.2S77 I81S77-D79 PolarHBondContact O-N 2.85Å; D79-I81 VanDerWaalsContact C-N 3.26Å; D79-I81 PolarHBondContact O-N 3.49Å
80D46.6Very low51.6Low115 Ų115121.9 Ų121.962%0.61565%0.647SS**G310 helixtrans-78.8-7.5179.5-90.7-19.1000113.6S77S77-D80 PolarHBondContact O-N 2.91Å
81I46.1Very low49Very low83 Ų83127.1 Ų127.143%0.42666%0.662SS.*Hα-helixtrans-78.7-26.4179.3-60.7176.6000111.1D79 I85D79-I81 VanDerWaalsContact C-N 3.26Å; D79-I81 PolarHBondContact O-N 3.49Å; I81-I85 HydrophobicContact CG2-CD1 3.83Å; I81-I85 WeakPolarHBondContact O-CD1 3.33Å; I81-I85 WeakPolarHBondContact O-CG1 3.46Å
82T39.8Very low46.7Very low93 Ų93128.8 Ų128.857%0.57167%0.674SS**Hα-helixtrans-73.1-33.6-174.2-37.10000112.2
83D37.6Very low44.7Very low130 Ų130128.6 Ų128.670%0.69568%0.684SS**Hα-helixtrans-77.2-26.2-178.8-82.1-9.5000113.1S86D83-S86 PolarHBondContact O-OG 3.5Å
84M36.2Very low43.5Very low154 Ų154128.3 Ų128.376%0.75969%0.689SS**Hα-helixtrans-78-18.3176.6-79.8-84.615300113.9S86M84-S86 VanDerWaalsContact C-N 3.3Å
85I36.1Very low43.2Very low132 Ų132124.6 Ų124.668%0.67768%0.683SS**THydrogen-bonded Turntrans-83.8-6.9-179.3-65.4170.4000112I81 S87I81-I85 HydrophobicContact CG2-CD1 3.83Å; I81-I85 WeakPolarHBondContact O-CD1 3.33Å; I81-I85 WeakPolarHBondContact O-CG1 3.46Å; I85-S87 PolarHBondContact O-N 3.35Å
86S38Very low44Very low101 Ų101122.5 Ų122.571%0.70667%0.665SS**THydrogen-bonded Turntrans-84.31.3-179.769.50000115.6D83 M84D83-S86 PolarHBondContact O-OG 3.5Å; M84-S86 VanDerWaalsContact C-N 3.3Å
87S36.9Very low45.9Very low81 Ų81116.9 Ų116.957%0.56664%0.639SS**SBendtrans-108.9113.217459.10000111.9I85 D89I85-S87 PolarHBondContact O-N 3.35Å; S87-D89 PolarHBondContact O-N 3.33Å
88E36.3Very low48.2Very low200 Ų200115.1 Ų115.194%0.93562%0.621SS**  trans-62.913.6-177.5-74.3-173.6139.200116.6K90E88-K90 PolarHBondContact O-N 2.92Å
89D34.7Very low50.5Low125 Ų125105.9 Ų105.967%0.66859%0.585SS**  trans-92.894.2171-85.1-23.3000110S87 K91S87-D89 PolarHBondContact O-N 3.33Å; D89-K91 PolarHBondContact O-N 2.89Å
90K29.3Very low52.9Low214 Ų214100 Ų10093%0.9355%0.553SS**  trans-62.168.9160.3-73.5-178.4178.8173.20110.3E88 S92E88-K90 PolarHBondContact O-N 2.92Å; K90-S92 PolarHBondContact O-N 3.1Å
91K30.3Very low55.4Low172 Ų17294.5 Ų94.575%0.74852%0.524SS*.  trans-81.4108.2152.9-74.7178.9-177.6167.50105.3D89 T93D89-K91 PolarHBondContact O-N 2.89Å; K91-T93 PolarHBondContact O-N 3.49Å
92S33.9Very low57.8Low104 Ų10490.5 Ų90.573%0.72750%0.504SS*.  trans-41.8128.2168.740.80000109.2K90 P94K90-S92 PolarHBondContact O-N 3.1Å; S92-P94 VanDerWaalsContact O-N 3.14Å
93T37.1Very low60.4Low130 Ų13086.2 Ų86.280%0.79848%0.477SS*.  trans-46.7124.2163.634.70000107.4K91 G95K91-T93 PolarHBondContact O-N 3.49Å; T93-G95 PolarHBondContact O-N 3.32Å
94P51.5Low62.9Low112 Ų11284 Ų8473%0.72746%0.459SS*.  trans-62.2110.6-174.6-16.726.3000108.2S92S92-P94 VanDerWaalsContact O-N 3.14Å
95G72.1Confident65.5Low59 Ų5979.6 Ų79.661%0.60844%0.441SS*.PPolyproline II helixtrans-55.8162.1171.900000110.4T93T93-G95 PolarHBondContact O-N 3.32Å
96N85.1Confident68.1Low45 Ų4574.8 Ų74.824%0.24142%0.415CS..PPolyproline II helixtrans-54.8139.7173.1-79.9-60.5000110.8L62 R65 K66 I69 K98L62-N96 HydrophobicContact CD1-CB 4.21Å; R65-N96 PolarHBondContact NE-OD1 3.26Å; K66-N96 WeakPolarHBondContact CG-ND2 3.41Å; I69-N96 WeakPolarHBondContact CD1-OD1 3.15Å; N96-K98 PolarHBondContact O-N 2.98Å
97P93Very high70.4Confident4 Ų478.3 Ų78.33%0.02642%0.418CS..PPolyproline II helixtrans-60.8132.6177.727.1-35.1000109.5W61 L62 D236 I238W61-P97 HydrophobicContact CH2-CG 3.92Å; W61-P97 HydrophobicContact CZ3-CG 3.85Å; L62-P97 WeakPolarHBondContact CD1-O 3.38Å; P97-D236 WeakPolarHBondContact CB-O 3.43Å; P97-I238 HydrophobicContact CB-CD1 4.12Å; P97-I238 HydrophobicContact CB-CG1 4.31Å; P97-I238 HydrophobicContact CG-CD1 4.05Å
98K95.5Very high73Confident41 Ų4176.6 Ų76.618%0.17840%0.401CS..PPolyproline II helixtrans-79.1153.6172.4-60.2179.4-178.5175.20110N96 A208 R209 I214 H237 I238N96-K98 PolarHBondContact O-N 2.98Å; K98-A208 PolarHBondContact NZ-O 2.76Å; K98-R209 WeakPolarHBondContact CE-O 3.27Å; K98-R209 PolarHBondContact NZ-O 2.82Å; K98-I214 HydrophobicContact CD-CD1 3.95Å; K98-H237 PolarHBondContact N-ND1 3.05Å; K98-I238 PolarHBondContact O-N 2.87Å
99I97.9Very high75.8Confident0 Ų067.2 Ų67.20%036%0.357CS..EExtended strand (participates in β ladder)trans-100112.3173.7-59.8163.6000108.5L59 L62 D212 I213 I214 I238 I240L59-I99 HydrophobicContact CD2-CD1 3.94Å; L62-I99 HydrophobicContact CB-CD1 4.36Å; L62-I99 HydrophobicContact CD2-CD1 3.9Å; L62-I99 HydrophobicContact CD2-CG1 4.42Å; I99-D212 PolarHBondContact N-O 2.73Å; I99-I213 HydrophobicContact CB-CB 4.33Å; I99-I213 HydrophobicContact CB-CD1 4.48Å; I99-I213 HydrophobicContact CB-CG1 4.08Å; I99-I213 HydrophobicContact CG2-CD1 4.13Å; I99-I213 HydrophobicContact CG2-CG1 4.09Å; I99-I213 CarbonylContact O-C 3.53Å; I99-I213 VanDerWaalsContact O-CA 3.29Å; I99-I213 WeakPolarHBondContact O-CA 3.48Å; I99-I214 PolarHBondContact O-N 2.94Å; I99-I238 HydrophobicContact CG1-CB 4.32Å; I99-I238 HydrophobicContact CG1-CD1 4.03Å; I99-I238 HydrophobicContact CG1-CG2 4.48Å; I99-I240 HydrophobicContact CG2-CD1 3.8Å; I99-I240 HydrophobicContact CG2-CG1 4.31Å
100Y97.7Very high78.7Confident4 Ų462.1 Ų62.12%0.01633%0.332CS..EExtended strand (participates in β ladder)trans-85.1107.4163.7-68.6-79.2000108.8I214 L221 L232 E233 V234 H237 I238 I240Y100-I214 CarbonylContact C-O 3.57Å; Y100-I214 WeakPolarHBondContact CA-O 3.34Å; Y100-I214 HydrophobicContact CD1-CB 3.85Å; Y100-I214 HydrophobicContact CD1-CD1 4.15Å; Y100-I214 HydrophobicContact CD1-CG2 4.04Å; Y100-I214 HydrophobicContact CE1-CB 4Å; Y100-I214 HydrophobicContact CE1-CD1 3.47Å; Y100-I214 VanDerWaalsContact CE1-CD1 3.47Å; Y100-I214 HydrophobicContact CE1-CG1 4.34Å; Y100-I214 HydrophobicContact CE1-CG2 4.06Å; Y100-L221 HydrophobicContact CD1-CD2 4.18Å; Y100-L221 HydrophobicContact CG-CD2 4.43Å; Y100-L232 HydrophobicContact CE1-CD2 3.99Å; Y100-E233 WeakPolarHBondContact CE2-O 3.19Å; Y100-E233 PolarHBondContact OH-O 3.06Å; Y100-V234 HydrophobicContact CE2-CG1 4.32Å; Y100-H237 HydrophobicContact CD2-CB 3.98Å; Y100-H237 HydrophobicContact CE2-CB 3.72Å; Y100-H237 AromaticContact CE2-CD2 3.73Å; Y100-I238 PolarHBondContact N-O 3.32Å; Y100-I240 PolarHBondContact O-N 3.02Å
101Y98.3Very high81.7Confident0 Ų056.7 Ų56.70%031%0.31CS..EExtended strand (participates in β ladder)trans-99106.9174.7-165.2-62.5000109.1T51 L54 L55 T103 V112 I214 F215 C216 I240 D242T51-Y101 WeakPolarHBondContact CG2-OH 3.38Å; L54-Y101 HydrophobicContact CB-CE2 4.03Å; L54-Y101 HydrophobicContact CD1-CE2 4.34Å; L54-Y101 WeakPolarHBondContact CD1-OH 3.37Å; L55-Y101 HydrophobicContact CD2-CD2 3.78Å; L55-Y101 HydrophobicContact CD2-CE2 3.78Å; L55-Y101 HydrophobicContact CG-CE2 4.04Å; Y101-T103 HydrophobicContact CD1-CG2 4.29Å; Y101-T103 HydrophobicContact CE1-CG2 4.04Å; Y101-V112 HydrophobicContact CD1-CG1 4.02Å; Y101-V112 HydrophobicContact CD1-CG2 4.33Å; Y101-V112 HydrophobicContact CE1-CB 4.33Å; Y101-V112 HydrophobicContact CE1-CG1 3.73Å; Y101-V112 HydrophobicContact CE1-CG2 3.63Å; Y101-V112 HydrophobicContact CE2-CG1 4.27Å; Y101-V112 HydrophobicContact CG-CG1 4.45Å; Y101-I214 PolarHBondContact N-O 3.39Å; Y101-F215 HydrophobicContact CD1-CD1 4.03Å; Y101-F215 HydrophobicContact CD1-CE1 4.13Å; Y101-F215 HydrophobicContact CD2-CE1 4.34Å; Y101-F215 AromaticContact CG-CD1 3.96Å; Y101-F215 HydrophobicContact CG-CD1 3.96Å; Y101-F215 AromaticContact CG-CE1 3.79Å; Y101-F215 HydrophobicContact CG-CE1 3.79Å; Y101-F215 VanDerWaalsContact O-CA 3.3Å; Y101-F215 WeakPolarHBondContact O-CA 3.49Å; Y101-C216 PolarHBondContact O-N 2.83Å; Y101-I240 HydrophobicContact CD2-CB 4.34Å; Y101-I240 HydrophobicContact CD2-CD1 4.31Å; Y101-I240 HydrophobicContact CD2-CG2 4.14Å; Y101-I240 HydrophobicContact CE2-CG2 4.03Å; Y101-D242 HydrophobicContact CE1-CB 3.73Å; Y101-D242 PolarHBondContact OH-OD2 3.37Å
102C97.2Very high84.8Confident0 Ų048.7 Ų48.70%028%0.275CS..EExtended strand (participates in β ladder)trans-111.4143.7-174.3-47.20000113.1C216 Y218 L221 I240 L241 D242C102-C216 WeakPolarHBondContact CA-O 3.46Å; C102-C216 WeakPolarHBondContact CB-O 3.29Å; C102-C216 PolarHBondContact SG-SG 3.45Å; C102-Y218 HydrophobicContact CB-CD1 3.75Å; C102-Y218 HydrophobicContact CB-CE1 4.18Å; C102-L221 WeakPolarHBondContact SG-CD1 3.17Å; C102-I240 PolarHBondContact N-O 3.08Å; C102-L241 HydrophobicContact CB-CD2 3.54Å; C102-D242 PolarHBondContact O-N 2.69Å
103T95Very high87.8Confident3 Ų343.9 Ų43.92%0.01824%0.241CC..EExtended strand (participates in β ladder)trans-129179.3172.969.60000109.3Y101 T105 Q108 I109 V112 C216 P217 Y218 D242Y101-T103 HydrophobicContact CD1-CG2 4.29Å; Y101-T103 HydrophobicContact CE1-CG2 4.04Å; T103-T105 PolarHBondContact OG1-O 3.28Å; T103-Q108 HydrophobicContact CG2-CB 4.17Å; T103-I109 HydrophobicContact CG2-CG1 4.32Å; T103-I109 WeakPolarHBondContact OG1-CG1 3.45Å; T103-V112 HydrophobicContact CG2-CG2 3.89Å; T103-C216 PolarHBondContact N-O 3.21Å; T103-P217 CarbonylContact O-C 3.54Å; T103-P217 WeakPolarHBondContact O-CA 3.5Å; T103-Y218 VanDerWaalsContact C-CE1 3.41Å; T103-Y218 WeakPolarHBondContact O-CD1 3.4Å; T103-Y218 WeakPolarHBondContact O-CE1 3.37Å; T103-Y218 PolarHBondContact O-N 3.26Å; T103-D242 HydrophobicContact CG2-CB 4.47Å
104R89.9Confident90.6Very high84 Ų8443.7 Ų43.732%0.31723%0.226SC..SBendtrans-75.9-31.3177.1-17566.9171.4175.90.2112.3Q108 Y218 E253R104-Q108 VanDerWaalsContact CB-OE1 3.26Å; R104-Y218 HydrophobicContact CB-CD2 4.46Å; R104-Y218 HydrophobicContact CB-CE2 4.13Å; R104-E253 IonicContact CZ-OE2 3.87Å; R104-E253 IonicContact NH1-OE2 3.68Å; R104-E253 PolarHBondContact NH1-OE2 3.27Å; R104-E253 IonicContact NH2-OE1 2.78Å; R104-E253 IonicContact NH2-OE2 2.75Å; R104-E253 PolarHBondContact NH2-OE2 2.93Å
105T90.5Very high92.7Very high60 Ų6040.9 Ų40.937%0.36820%0.203SC..SBendtrans-144.5155.2-171.867.70000113.5T103 K107 Q108 I109T103-T105 PolarHBondContact OG1-O 3.28Å; T105-K107 PolarHBondContact O-N 2.91Å; T105-Q108 WeakPolarHBondContact O-CB 3.37Å; T105-Q108 PolarHBondContact O-N 3.34Å; T105-Q108 PolarHBondContact OG1-N 3.48Å; T105-Q108 PolarHBondContact OG1-OE1 2.88Å; T105-I109 PolarHBondContact O-N 3.36Å; T105-I109 VanDerWaalsContact O-N 3.15Å
106H89.5Confident93.9Very high31 Ų3138 Ų3814%0.14417%0.174CC..Hα-helixtrans-56.9-34.2173.4-69.4-55.5000113.7Q108 I109 S110 L129 S130 H134 I186 P217H106-Q108 VanDerWaalsContact C-N 3.26Å; H106-Q108 PolarHBondContact O-N 2.92Å; H106-I109 WeakPolarHBondContact O-CA 3.27Å; H106-I109 WeakPolarHBondContact O-CB 3.44Å; H106-I109 PolarHBondContact O-N 3.08Å; H106-S110 PolarHBondContact O-N 3.34Å; H106-S110 PolarHBondContact O-OG 3.38Å; H106-L129 PolarHBondContact CE1-O 3.01Å; H106-S130 PolarHBondContact NE2-OG 3.37Å; H106-H134 AromaticContact CD2-CD2 3.53Å; H106-H134 AromaticContact CD2-NE2 3.92Å; H106-I186 HydrophobicContact CB-CD1 4.05Å; H106-I186 VanDerWaalsContact ND1-CD1 3.27Å; H106-I186 WeakPolarHBondContact ND1-CD1 3.38Å; H106-P217 VanDerWaalsContact CE1-CG 3.47Å; H106-P217 WeakPolarHBondContact CE1-CG 3.22Å
107K88Confident94.4Very high175 Ų17541.1 Ų41.176%0.76118%0.182SC*.Hα-helixtrans-60-36.6175.7-70.9-173.9178-177.10112.5T105 Q111T105-K107 PolarHBondContact O-N 2.91Å; K107-Q111 PolarHBondContact O-N 3.1Å
108Q91.2Very high94.4Very high46 Ų4645.3 Ų45.322%0.21520%0.2CC..Hα-helixtrans-73.3-35.8174.1-70.4165.6-39.200111.4T103 R104 T105 H106 S110 Q111 V112T103-Q108 HydrophobicContact CG2-CB 4.17Å; R104-Q108 VanDerWaalsContact CB-OE1 3.26Å; T105-Q108 WeakPolarHBondContact O-CB 3.37Å; T105-Q108 PolarHBondContact O-N 3.34Å; T105-Q108 PolarHBondContact OG1-N 3.48Å; T105-Q108 PolarHBondContact OG1-OE1 2.88Å; H106-Q108 VanDerWaalsContact C-N 3.26Å; H106-Q108 PolarHBondContact O-N 2.92Å; Q108-S110 VanDerWaalsContact C-N 3.3Å; Q108-S110 PolarHBondContact O-N 3.17Å; Q108-Q111 WeakPolarHBondContact O-CA 3.43Å; Q108-Q111 VanDerWaalsContact O-CB 3.28Å; Q108-Q111 WeakPolarHBondContact O-CB 3.39Å; Q108-Q111 PolarHBondContact O-N 3.25Å; Q108-V112 WeakPolarHBondContact O-CG2 3.44Å; Q108-V112 PolarHBondContact O-N 3.42Å
109I95.4Very high94.4Very high2 Ų243.6 Ų43.61%0.0119%0.193CC..Hα-helixtrans-57.3-46.1172.2-59.3179.1000110.4T103 T105 H106 Q111 V112 I113 I128 F215 P217T103-I109 HydrophobicContact CG2-CG1 4.32Å; T103-I109 WeakPolarHBondContact OG1-CG1 3.45Å; T105-I109 PolarHBondContact O-N 3.36Å; T105-I109 VanDerWaalsContact O-N 3.15Å; H106-I109 WeakPolarHBondContact O-CA 3.27Å; H106-I109 WeakPolarHBondContact O-CB 3.44Å; H106-I109 PolarHBondContact O-N 3.08Å; I109-Q111 PolarHBondContact O-N 3.32Å; I109-V112 WeakPolarHBondContact O-CA 3.46Å; I109-V112 WeakPolarHBondContact O-CB 3.41Å; I109-V112 PolarHBondContact O-N 3.05Å; I109-I113 HydrophobicContact CG2-CG1 4.18Å; I109-I113 WeakPolarHBondContact O-CG1 3.15Å; I109-I113 PolarHBondContact O-N 3.23Å; I109-I128 HydrophobicContact CD1-CG2 4.28Å; I109-I128 HydrophobicContact CG2-CD1 4.08Å; I109-I128 HydrophobicContact CG2-CG2 4.15Å; I109-F215 HydrophobicContact CD1-CB 4.3Å; I109-F215 HydrophobicContact CG2-CB 3.61Å; I109-F215 HydrophobicContact CG2-CD1 4.34Å; I109-F215 HydrophobicContact CG2-CG 4.1Å; I109-P217 HydrophobicContact CD1-CG 4.41Å
110S94.4Very high94.2Very high19 Ų1949 Ų4913%0.13322%0.217CC..Hα-helixtrans-59.9-29176.2-49.70000112.8H106 Q108 R114H106-S110 PolarHBondContact O-N 3.34Å; H106-S110 PolarHBondContact O-OG 3.38Å; Q108-S110 VanDerWaalsContact C-N 3.3Å; Q108-S110 PolarHBondContact O-N 3.17Å; S110-R114 WeakPolarHBondContact O-CG 3.21Å; S110-R114 PolarHBondContact O-N 2.93Å; S110-R114 PolarHBondContact O-NH1 3.04Å
111Q92.5Very high94.2Very high100 Ų10048.9 Ų48.947%0.46722%0.216SC..Hα-helixtrans-67.4-45.1170.5-69.1169.1-0.900111.3K107 Q108 I109 I113 R114 E115K107-Q111 PolarHBondContact O-N 3.1Å; Q108-Q111 WeakPolarHBondContact O-CA 3.43Å; Q108-Q111 VanDerWaalsContact O-CB 3.28Å; Q108-Q111 WeakPolarHBondContact O-CB 3.39Å; Q108-Q111 PolarHBondContact O-N 3.25Å; I109-Q111 PolarHBondContact O-N 3.32Å; Q111-I113 PolarHBondContact O-N 3.09Å; Q111-R114 WeakPolarHBondContact O-CB 3.45Å; Q111-R114 PolarHBondContact O-N 3.23Å; Q111-E115 PolarHBondContact O-N 3.22Å
112V96.2Very high94Very high4 Ų453.3 Ų53.32%0.02424%0.235CC..Hα-helixtrans-61.3-42.7177.1-179.60000111.5T51 L55 Y101 T103 Q108 I109 R114 E115 L116 F215T51-V112 HydrophobicContact CG2-CB 4.08Å; T51-V112 HydrophobicContact CG2-CG1 3.86Å; T51-V112 HydrophobicContact CG2-CG2 3.82Å; L55-V112 HydrophobicContact CD1-CG1 3.98Å; L55-V112 HydrophobicContact CD2-CG1 4.15Å; L55-V112 HydrophobicContact CG-CG1 4.38Å; Y101-V112 HydrophobicContact CD1-CG1 4.02Å; Y101-V112 HydrophobicContact CD1-CG2 4.33Å; Y101-V112 HydrophobicContact CE1-CB 4.33Å; Y101-V112 HydrophobicContact CE1-CG1 3.73Å; Y101-V112 HydrophobicContact CE1-CG2 3.63Å; Y101-V112 HydrophobicContact CE2-CG1 4.27Å; Y101-V112 HydrophobicContact CG-CG1 4.45Å; T103-V112 HydrophobicContact CG2-CG2 3.89Å; Q108-V112 WeakPolarHBondContact O-CG2 3.44Å; Q108-V112 PolarHBondContact O-N 3.42Å; I109-V112 WeakPolarHBondContact O-CA 3.46Å; I109-V112 WeakPolarHBondContact O-CB 3.41Å; I109-V112 PolarHBondContact O-N 3.05Å; V112-R114 VanDerWaalsContact C-N 3.3Å; V112-R114 PolarHBondContact O-N 2.82Å; V112-E115 PolarHBondContact O-N 3.12Å; V112-E115 VanDerWaalsContact O-N 3.07Å; V112-L116 PolarHBondContact O-N 2.97Å; V112-F215 HydrophobicContact CG1-CD1 4.16Å; V112-F215 HydrophobicContact CG1-CE1 3.56Å; V112-F215 HydrophobicContact CG1-CZ 4.46Å
113I97.2Very high93.8Very high2 Ų258.6 Ų58.61%0.0126%0.264CS..Hα-helixtrans-61.3-38.1176.8-63.6-46.8000111.7I109 Q111 E115 L116 R117 M126 I128 P183 F215I109-I113 HydrophobicContact CG2-CG1 4.18Å; I109-I113 WeakPolarHBondContact O-CG1 3.15Å; I109-I113 PolarHBondContact O-N 3.23Å; Q111-I113 PolarHBondContact O-N 3.09Å; I113-E115 VanDerWaalsContact C-N 3.31Å; I113-E115 PolarHBondContact O-N 3.14Å; I113-L116 PolarHBondContact O-N 3Å; I113-R117 PolarHBondContact O-N 2.95Å; I113-M126 HydrophobicContact CD1-CE 3.49Å; I113-M126 VanDerWaalsContact CD1-CE 3.49Å; I113-M126 HydrophobicContact CD1-SD 4.27Å; I113-M126 HydrophobicContact CG1-CE 4.42Å; I113-I128 HydrophobicContact CD1-CD1 4.32Å; I113-I128 HydrophobicContact CG1-CD1 4.1Å; I113-P183 HydrophobicContact CG2-CB 3.98Å; I113-P183 HydrophobicContact CG2-CG 3.86Å; I113-F215 HydrophobicContact CD1-CD1 4.29Å; I113-F215 HydrophobicContact CD1-CD2 3.74Å; I113-F215 HydrophobicContact CD1-CE1 4.11Å; I113-F215 HydrophobicContact CD1-CE2 3.5Å; I113-F215 HydrophobicContact CD1-CG 4.12Å; I113-F215 HydrophobicContact CD1-CZ 3.71Å
114R94.8Very high93.9Very high127 Ų12759.5 Ų59.548%0.47927%0.269SS..Hα-helixtrans-63.9-35.7173.9-74.5-170-62.4-96.910.4112.7S110 Q111 V112S110-R114 WeakPolarHBondContact O-CG 3.21Å; S110-R114 PolarHBondContact O-N 2.93Å; S110-R114 PolarHBondContact O-NH1 3.04Å; Q111-R114 WeakPolarHBondContact O-CB 3.45Å; Q111-R114 PolarHBondContact O-N 3.23Å; V112-R114 VanDerWaalsContact C-N 3.3Å; V112-R114 PolarHBondContact O-N 2.82Å
115E95Very high94.1Very high52 Ų5261.6 Ų61.624%0.24328%0.28CS..Hα-helixtrans-71.1-42.9173.8-64.2-50.5131.400111.6T51 L52 L55 Q111 V112 I113 R117 K118T51-E115 HydrophobicContact CG2-CB 4.11Å; T51-E115 HydrophobicContact CG2-CG 4.14Å; L52-E115 HydrophobicContact CD1-CB 4.46Å; L55-E115 HydrophobicContact CD1-CB 4.26Å; Q111-E115 PolarHBondContact O-N 3.22Å; V112-E115 PolarHBondContact O-N 3.12Å; V112-E115 VanDerWaalsContact O-N 3.07Å; I113-E115 VanDerWaalsContact C-N 3.31Å; I113-E115 PolarHBondContact O-N 3.14Å; E115-R117 PolarHBondContact O-N 3Å; E115-K118 WeakPolarHBondContact O-CB 3.41Å; E115-K118 PolarHBondContact O-N 3.3Å; E115-K118 IonicContact OE1-NZ 3.48Å; E115-K118 PolarHBondContact OE1-NZ 3.01Å; E115-K118 WeakPolarHBondContact OE2-CE 3.48Å; E115-K118 IonicContact OE2-NZ 2.67Å; E115-K118 PolarHBondContact OE2-NZ 3.17Å
116L97.1Very high94.4Very high0 Ų059.1 Ų59.10%027%0.265CS..Hα-helixtrans-55.7-40.8175.9179.761000111.8L55 L59 V112 I113 K118 T119 M126 P183 F215L55-L116 HydrophobicContact CD1-CB 3.95Å; L59-L116 HydrophobicContact CD1-CD1 3.66Å; V112-L116 PolarHBondContact O-N 2.97Å; I113-L116 PolarHBondContact O-N 3Å; L116-K118 PolarHBondContact O-N 3.26Å; L116-K118 VanDerWaalsContact O-N 3.16Å; L116-T119 WeakPolarHBondContact O-CB 3.24Å; L116-T119 PolarHBondContact O-N 3.29Å; L116-T119 PolarHBondContact O-OG1 2.86Å; L116-M126 HydrophobicContact CD2-SD 4.23Å; L116-P183 HydrophobicContact CB-CG 4.27Å; L116-P183 HydrophobicContact CD2-CB 3.82Å; L116-P183 HydrophobicContact CD2-CG 4.18Å; L116-P183 HydrophobicContact CG-CB 4.29Å; L116-P183 HydrophobicContact CG-CG 4.12Å; L116-F215 HydrophobicContact CD2-CE2 4.35Å; L116-F215 HydrophobicContact CD2-CZ 4.08Å
117R95.8Very high94.7Very high110 Ų11057.6 Ų57.642%0.41526%0.258SS..THydrogen-bonded Turntrans-58.9-25.9178.5-171.4172.7-67.9152.80.2113.5I113 E115 T119 P183I113-R117 PolarHBondContact O-N 2.95Å; E115-R117 PolarHBondContact O-N 3Å; R117-T119 VanDerWaalsContact C-N 3.28Å; R117-P183 HydrophobicContact CB-CG 3.79Å; R117-P183 HydrophobicContact CG-CG 4.46Å; R117-P183 PolarHBondContact NH2-O 2.83Å
118K94Very high95.1Very high91 Ų9149.4 Ų49.440%0.39622%0.222SC..THydrogen-bonded Turntrans-79.3-9.9177.9-57.4175.2-167167.50113.1P16 E115 L116P16-K118 HydrophobicContact CG-CB 4.42Å; P16-K118 WeakPolarHBondContact CG-O 3.4Å; E115-K118 WeakPolarHBondContact O-CB 3.41Å; E115-K118 PolarHBondContact O-N 3.3Å; E115-K118 IonicContact OE1-NZ 3.48Å; E115-K118 PolarHBondContact OE1-NZ 3.01Å; E115-K118 WeakPolarHBondContact OE2-CE 3.48Å; E115-K118 IonicContact OE2-NZ 2.67Å; E115-K118 PolarHBondContact OE2-NZ 3.17Å; L116-K118 PolarHBondContact O-N 3.26Å; L116-K118 VanDerWaalsContact O-N 3.16Å
119T95.4Very high95.3Very high6 Ų647.2 Ų47.24%0.03721%0.212CC..SBendtrans-98.7162.6-174.174.90000112.7P16 L52 L116 R117 Y121 K122P16-T119 HydrophobicContact CG-CG2 4.06Å; L52-T119 HydrophobicContact CD1-CG2 3.47Å; L52-T119 VanDerWaalsContact CD1-CG2 3.47Å; L116-T119 WeakPolarHBondContact O-CB 3.24Å; L116-T119 PolarHBondContact O-N 3.29Å; L116-T119 PolarHBondContact O-OG1 2.86Å; R117-T119 VanDerWaalsContact C-N 3.28Å; T119-Y121 PolarHBondContact O-N 3.08Å; T119-Y121 WeakPolarHBondContact OG1-CB 3.22Å; T119-Y121 PolarHBondContact OG1-N 2.78Å; T119-Y121 VanDerWaalsContact OG1-N 3.15Å; T119-K122 WeakPolarHBondContact O-CB 3.31Å; T119-K122 WeakPolarHBondContact O-CG 3.16Å; T119-K122 PolarHBondContact O-N 2.97Å
120K94.4Very high95.1Very high114 Ų11447.2 Ų47.250%0.49621%0.212SC..G310 helixtrans-59.7-28.1166.8-176.6-174.3177.5-177.50111.8E5 C14 K122E5-K120 IonicContact OE1-NZ 3.72Å; C14-K120 HydrophobicContact CB-CB 4.04Å; C14-K120 HydrophobicContact CB-CD 3.85Å; C14-K120 WeakPolarHBondContact SG-CD 3.36Å; K120-K122 PolarHBondContact O-N 3.42Å
121Y95.8Very high95Very high1 Ų148 Ų480%0.00422%0.217CC..G310 helixtrans-78.55.5-177.5-47.6-71.3000114.3C14 C56 L59 G60 E63 T119 N123 T124C14-Y121 HydrophobicContact CB-CE2 4.22Å; C14-Y121 PolarHBondContact N-OH 3.47Å; C14-Y121 WeakPolarHBondContact O-CE2 3.47Å; C56-Y121 HydrophobicContact CB-CE2 4.07Å; L59-Y121 HydrophobicContact CB-CD1 3.75Å; L59-Y121 HydrophobicContact CB-CD2 4.11Å; L59-Y121 HydrophobicContact CB-CE1 4.2Å; L59-Y121 HydrophobicContact CB-CG 3.69Å; L59-Y121 HydrophobicContact CD1-CD2 4.43Å; L59-Y121 HydrophobicContact CD1-CG 4.04Å; L59-Y121 HydrophobicContact CG-CG 4.49Å; G60-Y121 WeakPolarHBondContact CA-OH 3.49Å; E63-Y121 HydrophobicContact CG-CE1 4.47Å; E63-Y121 WeakPolarHBondContact OE1-CD1 3.39Å; E63-Y121 WeakPolarHBondContact OE2-CE1 3.29Å; T119-Y121 PolarHBondContact O-N 3.08Å; T119-Y121 WeakPolarHBondContact OG1-CB 3.22Å; T119-Y121 PolarHBondContact OG1-N 2.78Å; T119-Y121 VanDerWaalsContact OG1-N 3.15Å; Y121-N123 PolarHBondContact O-N 3.03Å; Y121-T124 VanDerWaalsContact O-CB 3.29Å; Y121-T124 WeakPolarHBondContact O-CB 3.26Å; Y121-T124 PolarHBondContact O-N 2.74Å; Y121-T124 PolarHBondContact O-OG1 2.88Å
122K94.8Very high94.9Very high93 Ų9344.6 Ų44.640%0.40420%0.2SC..G310 helixtrans-54.9-20.7-179.266.7172-173.5173.20115.6T119 K120T119-K122 WeakPolarHBondContact O-CB 3.31Å; T119-K122 WeakPolarHBondContact O-CG 3.16Å; T119-K122 PolarHBondContact O-N 2.97Å; K120-K122 PolarHBondContact O-N 3.42Å
123N94.1Very high94.7Very high111 Ų11151.5 Ų51.559%0.59423%0.23SC*.G310 helixtrans-97.68.5179.4-62.3-22.3000113Y121 K125Y121-N123 PolarHBondContact O-N 3.03Å; N123-K125 PolarHBondContact O-N 3.28Å
124T95.3Very high94.4Very high22 Ų2256 Ų5614%0.13525%0.251CS..SBendtrans-59134.5175.4-59.20000109.8L59 Y121 M126 D212 I213L59-T124 HydrophobicContact CD2-CG2 3.75Å; Y121-T124 VanDerWaalsContact O-CB 3.29Å; Y121-T124 WeakPolarHBondContact O-CB 3.26Å; Y121-T124 PolarHBondContact O-N 2.74Å; Y121-T124 PolarHBondContact O-OG1 2.88Å; T124-M126 PolarHBondContact O-N 2.83Å; T124-M126 VanDerWaalsContact O-N 3.14Å; T124-D212 HydrophobicContact CG2-CB 3.76Å; T124-I213 HydrophobicContact CG2-CG2 3.82Å
125K95Very high94.3Very high127 Ų12750 Ų5055%0.55223%0.228SC*.  trans-60.5118.9175.9-69.8-175.1176.4-178.20109.6N123 D212 I213N123-K125 PolarHBondContact O-N 3.28Å; K125-D212 WeakPolarHBondContact O-CB 3.32Å; K125-D212 PolarHBondContact O-N 2.95Å; K125-I213 PolarHBondContact O-N 2.72Å
126M96.6Very high94.3Very high8 Ų848.9 Ų48.94%0.03923%0.226CC..EExtended strand (participates in β ladder)trans-130.2162.6-172.962.8169.9-75.600113.1I113 L116 T124 I128 P183 W184 I213 F215I113-M126 HydrophobicContact CD1-CE 3.49Å; I113-M126 VanDerWaalsContact CD1-CE 3.49Å; I113-M126 HydrophobicContact CD1-SD 4.27Å; I113-M126 HydrophobicContact CG1-CE 4.42Å; L116-M126 HydrophobicContact CD2-SD 4.23Å; T124-M126 PolarHBondContact O-N 2.83Å; T124-M126 VanDerWaalsContact O-N 3.14Å; M126-I128 HydrophobicContact CE-CD1 3.91Å; M126-I128 HydrophobicContact CE-CG1 3.72Å; M126-P183 HydrophobicContact SD-CB 3.48Å; M126-P183 WeakPolarHBondContact SD-CB 3.38Å; M126-W184 HydrophobicContact CE-CD2 4.42Å; M126-W184 HydrophobicContact CE-CE3 4.48Å; M126-W184 VanDerWaalsContact CE-O 3.27Å; M126-W184 WeakPolarHBondContact CE-O 3.29Å; M126-W184 HydrophobicContact CG-CZ2 4.38Å; M126-W184 WeakPolarHBondContact O-CZ2 3.32Å; M126-I213 CarbonylContact C-O 3.57Å; M126-I213 WeakPolarHBondContact CA-O 3.37Å; M126-I213 HydrophobicContact CB-CG2 3.63Å; M126-F215 HydrophobicContact CB-CE2 4.19Å; M126-F215 HydrophobicContact CE-CD2 3.75Å; M126-F215 HydrophobicContact CE-CE2 3.72Å; M126-F215 HydrophobicContact SD-CE2 4.25Å
127S95.9Very high94.1Very high0 Ų050.1 Ų50.10%023%0.232CC..EExtended strand (participates in β ladder)trans-144158.3163.8-174.60000110.7S204 I213 I214 F215S127-S204 PolarHBondContact OG-O 2.82Å; S127-I213 PolarHBondContact N-O 2.64Å; S127-I214 WeakPolarHBondContact O-CA 3.47Å; S127-F215 PolarHBondContact O-N 3.46Å
128I96.6Very high94Very high2 Ų245.6 Ų45.61%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-123.8117.6172.5-50.1-176.2000108.5I109 I113 M126 W184 D185 I186 S204 F215I109-I128 HydrophobicContact CD1-CG2 4.28Å; I109-I128 HydrophobicContact CG2-CD1 4.08Å; I109-I128 HydrophobicContact CG2-CG2 4.15Å; I113-I128 HydrophobicContact CD1-CD1 4.32Å; I113-I128 HydrophobicContact CG1-CD1 4.1Å; M126-I128 HydrophobicContact CE-CD1 3.91Å; M126-I128 HydrophobicContact CE-CG1 3.72Å; I128-W184 HydrophobicContact CB-CZ3 4.4Å; I128-W184 HydrophobicContact CD1-CE3 4.43Å; I128-W184 HydrophobicContact CD1-CZ3 4.46Å; I128-W184 WeakPolarHBondContact CD1-O 3.39Å; I128-W184 HydrophobicContact CG1-CE3 4.49Å; I128-W184 HydrophobicContact CG1-CZ3 4.08Å; I128-D185 HydrophobicContact CD1-CB 4.48Å; I128-I186 HydrophobicContact CB-CG1 4.28Å; I128-I186 HydrophobicContact CG2-CD1 3.91Å; I128-I186 HydrophobicContact CG2-CG1 3.78Å; I128-S204 VanDerWaalsContact O-CB 3.27Å; I128-S204 WeakPolarHBondContact O-CB 3.49Å; I128-F215 CarbonylContact C-O 3.57Å; I128-F215 VanDerWaalsContact CA-O 3.3Å; I128-F215 WeakPolarHBondContact CA-O 3.38Å; I128-F215 HydrophobicContact CG1-CB 4.14Å; I128-F215 HydrophobicContact CG1-CD2 4.26Å; I128-F215 HydrophobicContact CG2-CB 4.33Å
129L94.8Very high93.8Very high1 Ų145.2 Ų45.21%0.00522%0.223CC..  trans-79.8133.4173.3-55.3172.4000108.7H106 R205 A208 I214 F215 C216 Y220 T230 L232H106-L129 PolarHBondContact CE1-O 3.01Å; L129-R205 HydrophobicContact CD2-CG 4.09Å; L129-A208 HydrophobicContact CD2-CB 3.96Å; L129-I214 HydrophobicContact CD1-CG2 3.79Å; L129-I214 HydrophobicContact CG-CG2 3.82Å; L129-F215 PolarHBondContact N-O 3.28Å; L129-C216 HydrophobicContact CB-CB 3.88Å; L129-C216 HydrophobicContact CD1-CB 3.97Å; L129-C216 HydrophobicContact CG-CB 4.28Å; L129-Y220 HydrophobicContact CB-CD1 4.01Å; L129-Y220 HydrophobicContact CB-CE1 4.05Å; L129-Y220 HydrophobicContact CB-CG 4.46Å; L129-Y220 HydrophobicContact CD1-CD1 4.29Å; L129-T230 HydrophobicContact CD1-CG2 4.01Å; L129-T230 HydrophobicContact CD2-CG2 4.15Å; L129-L232 HydrophobicContact CD1-CD1 3.73Å; L129-L232 HydrophobicContact CD1-CD2 3.55Å; L129-L232 HydrophobicContact CD1-CG 4.23Å
130S92Very high93.5Very high2 Ų252.3 Ų52.31%0.01426%0.256CS..  trans-147.3158.7-176.6-171.90000112.3H106 H134 I186 Y201 Y220H106-S130 PolarHBondContact NE2-OG 3.37Å; S130-H134 WeakPolarHBondContact OG-CB 3.33Å; S130-I186 WeakPolarHBondContact OG-CD1 3.18Å; S130-Y201 WeakPolarHBondContact O-CD2 3.43Å; S130-Y201 WeakPolarHBondContact O-CE2 3.3Å; S130-Y220 PolarHBondContact O-OH 3.48Å
131S91.4Very high93.4Very high34 Ų3447.2 Ų47.224%0.23823%0.234CC..  trans-77155.4-179.272.60000110.9K133 H134 T135 Y220S131-K133 PolarHBondContact O-N 2.68Å; S131-K133 VanDerWaalsContact O-N 3.1Å; S131-H134 PolarHBondContact O-N 3.16Å; S131-H134 PolarHBondContact OG-CD2 2.88Å; S131-T135 PolarHBondContact O-N 3.22Å; S131-T135 PolarHBondContact O-OG1 2.89Å; S131-T135 VanDerWaalsContact O-OG1 3.07Å; S131-Y220 WeakPolarHBondContact CA-OH 3.46Å; S131-Y220 PolarHBondContact N-OH 3.21Å
132R91.2Very high93.2Very high30 Ų3049.9 Ų49.911%0.11325%0.253CS..Hα-helixtrans-54.8-32.8178-66-178.9175.889.4-7.7112.8H134 T135 C136 V147 H152 Y201R132-H134 PolarHBondContact O-N 2.87Å; R132-T135 WeakPolarHBondContact CA-OG1 3.34Å; R132-T135 PolarHBondContact O-N 3.5Å; R132-C136 WeakPolarHBondContact O-CB 3.47Å; R132-C136 PolarHBondContact O-N 2.95Å; R132-V147 HydrophobicContact CB-CG1 4.2Å; R132-H152 PolarHBondContact NH1-NE2 2.86Å; R132-H152 VanDerWaalsContact NH1-NE2 3.17Å; R132-H152 PolarHBondContact NH2-NE2 3.11Å; R132-Y201 HydrophobicContact CG-CD1 4.23Å; R132-Y201 HydrophobicContact CG-CD2 3.69Å; R132-Y201 HydrophobicContact CG-CE1 4.26Å; R132-Y201 HydrophobicContact CG-CE2 3.71Å; R132-Y201 HydrophobicContact CG-CG 3.94Å; R132-Y201 VanDerWaalsContact CZ-CZ 3.48Å; R132-Y201 VanDerWaalsContact CZ-OH 3.29Å; R132-Y201 PolarHBondContact NH1-OH 2.85Å; R132-Y201 VanDerWaalsContact NH1-OH 3.14Å; R132-Y201 PolarHBondContact NH2-OH 2.86Å
133K91.4Very high92.9Very high149 Ų14950.1 Ų50.165%0.64827%0.266SS*.Hα-helixtrans-57.1-33.4177-177.4178.6177.2178.80113.1S131S131-K133 PolarHBondContact O-N 2.68Å; S131-K133 VanDerWaalsContact O-N 3.1Å
134H90.7Very high92.5Very high95 Ų9546.4 Ų46.444%0.4425%0.247SC..Hα-helixtrans-95.2-14-178.4-64.9-54.5000113.5H106 S130 S131 R132 I186H106-H134 AromaticContact CD2-CD2 3.53Å; H106-H134 AromaticContact CD2-NE2 3.92Å; S130-H134 WeakPolarHBondContact OG-CB 3.33Å; S131-H134 PolarHBondContact O-N 3.16Å; S131-H134 PolarHBondContact OG-CD2 2.88Å; R132-H134 PolarHBondContact O-N 2.87Å; H134-I186 HydrophobicContact CB-CG2 4.28Å
135T93.7Very high92Very high2 Ų252.2 Ų52.21%0.01229%0.285CS..Hα-helixtrans-120-12.2-170.654.50000114.3S131 R132 I137 I186 P200 Y201S131-T135 PolarHBondContact O-N 3.22Å; S131-T135 PolarHBondContact O-OG1 2.89Å; S131-T135 VanDerWaalsContact O-OG1 3.07Å; R132-T135 WeakPolarHBondContact CA-OG1 3.34Å; R132-T135 PolarHBondContact O-N 3.5Å; T135-I137 PolarHBondContact O-N 2.82Å; T135-I186 HydrophobicContact CG2-CG2 4.03Å; T135-P200 HydrophobicContact CG2-CB 4.47Å; T135-P200 VanDerWaalsContact O-CD 3.29Å; T135-P200 WeakPolarHBondContact O-CD 3.35Å; T135-P200 WeakPolarHBondContact O-CG 3.3Å; T135-Y201 WeakPolarHBondContact OG1-CB 3.12Å
136C94.7Very high91.5Very high28 Ų2849 Ų4919%0.18927%0.274CS..  trans-70.4121.6-176.3-172.30000111R132 S142 V147R132-C136 WeakPolarHBondContact O-CB 3.47Å; R132-C136 PolarHBondContact O-N 2.95Å; C136-S142 WeakPolarHBondContact O-CB 3.26Å; C136-V147 HydrophobicContact CB-CG1 3.59Å
137I93.3Very high91.3Very high27 Ų2749 Ų4914%0.13828%0.275CS..  trans-105.81175.460171.6000113T135 P139 Y162 V190 I194 P200T135-I137 PolarHBondContact O-N 2.82Å; I137-P139 VanDerWaalsContact O-CD 3.27Å; I137-P139 WeakPolarHBondContact O-CD 3.43Å; I137-Y162 HydrophobicContact CD1-CD1 3.59Å; I137-Y162 HydrophobicContact CD1-CE1 3.97Å; I137-Y162 HydrophobicContact CD1-CG 4.47Å; I137-Y162 HydrophobicContact CG1-CD1 3.74Å; I137-Y162 HydrophobicContact CG1-CE1 4.06Å; I137-Y162 HydrophobicContact CG1-CG 4.26Å; I137-V190 HydrophobicContact CG2-CG1 3.77Å; I137-I194 HydrophobicContact CG2-CG1 4.15Å; I137-P200 HydrophobicContact CD1-CG 4.34Å; I137-P200 HydrophobicContact CG1-CG 4.5Å; I137-P200 HydrophobicContact CG2-CG 3.99Å
138N92.8Very high90.9Very high14 Ų1451.1 Ų51.18%0.07529%0.288CS..  trans-73.7115.7174.6-178.5-19.5000109E140 I141 S142 Y162N138-E140 PolarHBondContact O-N 2.86Å; N138-E140 PolarHBondContact OD1-N 3.4Å; N138-I141 HydrophobicContact CB-CB 4.29Å; N138-I141 HydrophobicContact CB-CD1 4.29Å; N138-I141 PolarHBondContact O-N 2.76Å; N138-S142 WeakPolarHBondContact O-CB 3.45Å; N138-S142 PolarHBondContact O-N 2.77Å; N138-S142 PolarHBondContact O-OG 2.81Å; N138-S142 VanDerWaalsContact O-OG 3.08Å; N138-Y162 HydrophobicContact CB-CD2 3.84Å; N138-Y162 HydrophobicContact CB-CE2 3.8Å
139P90.8Very high90.4Very high84 Ų8452.2 Ų52.255%0.54529%0.294SS..Hα-helixtrans-58.4-30.6-176.5-24.635.2000114.7I137 I141 S143I137-P139 VanDerWaalsContact O-CD 3.27Å; I137-P139 WeakPolarHBondContact O-CD 3.43Å; P139-I141 VanDerWaalsContact C-N 3.34Å; P139-S143 PolarHBondContact O-OG 3.1Å; P139-S143 VanDerWaalsContact O-OG 3.08Å
140E88.3Confident90.1Very high154 Ų15454 Ų5472%0.7231%0.307SS*.Hα-helixtrans-73.6-27179.4-62.5179.6173.600112.3N138 T144N138-E140 PolarHBondContact O-N 2.86Å; N138-E140 PolarHBondContact OD1-N 3.4Å; E140-T144 WeakPolarHBondContact O-CG2 3.31Å
141I91.1Very high90Very high8 Ų854.5 Ų54.54%0.04131%0.309CS..Hα-helixtrans-103-40.2-176.8-64.4168000111.7N138 P139 S143 T144 V147 C151 L154N138-I141 HydrophobicContact CB-CB 4.29Å; N138-I141 HydrophobicContact CB-CD1 4.29Å; N138-I141 PolarHBondContact O-N 2.76Å; P139-I141 VanDerWaalsContact C-N 3.34Å; I141-S143 PolarHBondContact O-N 2.75Å; I141-T144 WeakPolarHBondContact O-CB 3.34Å; I141-T144 WeakPolarHBondContact O-CG2 3.11Å; I141-T144 PolarHBondContact O-N 2.87Å; I141-T144 PolarHBondContact O-OG1 2.93Å; I141-V147 HydrophobicContact CG2-CB 4.46Å; I141-V147 HydrophobicContact CG2-CG1 3.78Å; I141-V147 WeakPolarHBondContact CG2-O 3.4Å; I141-C151 HydrophobicContact CD1-CB 4.39Å; I141-C151 HydrophobicContact CG2-CB 4.12Å; I141-L154 HydrophobicContact CD1-CB 3.93Å; I141-L154 HydrophobicContact CD1-CD2 3.3Å; I141-L154 HydrophobicContact CD1-CG 4.23Å; I141-L154 HydrophobicContact CG1-CD2 4.38Å
142S92Very high89.6Confident56 Ų5655.2 Ų55.239%0.39231%0.309SS..Hα-helixtrans-64.6-24-172.464.70000113.6C136 N138C136-S142 WeakPolarHBondContact O-CB 3.26Å; N138-S142 WeakPolarHBondContact O-CB 3.45Å; N138-S142 PolarHBondContact O-N 2.77Å; N138-S142 PolarHBondContact O-OG 2.81Å; N138-S142 VanDerWaalsContact O-OG 3.08Å
143S88.4Confident89.2Confident98 Ų9856.7 Ų56.769%0.68532%0.319SS*.THydrogen-bonded Turntrans-86.8-9177.458.10000113.9P139 I141P139-S143 PolarHBondContact O-OG 3.1Å; P139-S143 VanDerWaalsContact O-OG 3.08Å; I141-S143 PolarHBondContact O-N 2.75Å
144T87.3Confident88.8Confident33 Ų3351.5 Ų51.520%0.20230%0.298CS..SBendtrans-76.1150.3-178.167.10000111.8E140 I141 N146 V147 S150E140-T144 WeakPolarHBondContact O-CG2 3.31Å; I141-T144 WeakPolarHBondContact O-CB 3.34Å; I141-T144 WeakPolarHBondContact O-CG2 3.11Å; I141-T144 PolarHBondContact O-N 2.87Å; I141-T144 PolarHBondContact O-OG1 2.93Å; T144-N146 VanDerWaalsContact C-N 3.27Å; T144-N146 PolarHBondContact O-N 3.43Å; T144-V147 WeakPolarHBondContact OG1-CA 3.34Å; T144-V147 PolarHBondContact OG1-N 2.9Å; T144-S150 PolarHBondContact OG1-OG 3.15Å
145P82.9Confident88.4Confident144 Ų14448.8 Ų48.894%0.93529%0.287SS*.THydrogen-bonded Turntrans-65.2-29.9178.625.3-34.3000113
146N85.8Confident87.4Confident60 Ų6049.9 Ų49.932%0.32129%0.292SS..THydrogen-bonded Turntrans-124.276.8176.1-162.9-13.4000111.7T144 T148 D149 S150T144-N146 VanDerWaalsContact C-N 3.27Å; T144-N146 PolarHBondContact O-N 3.43Å; N146-T148 PolarHBondContact O-N 3.17Å; N146-T148 VanDerWaalsContact O-N 3.15Å; N146-T148 PolarHBondContact OD1-N 3.42Å; N146-D149 HydrophobicContact CB-CB 4.27Å; N146-D149 PolarHBondContact ND2-OD2 3.11Å; N146-D149 PolarHBondContact O-N 2.99Å; N146-D149 VanDerWaalsContact O-N 3.17Å; N146-D149 PolarHBondContact OD1-N 2.9Å; N146-S150 PolarHBondContact O-N 3.07Å; N146-S150 PolarHBondContact O-OG 3.45Å
147V91.4Very high86.2Confident9 Ų951.7 Ų51.76%0.05531%0.306CS..Hα-helixtrans-50.6-37.8179.1-176.80000112.5R132 C136 I141 T144 C151R132-V147 HydrophobicContact CB-CG1 4.2Å; C136-V147 HydrophobicContact CB-CG1 3.59Å; I141-V147 HydrophobicContact CG2-CB 4.46Å; I141-V147 HydrophobicContact CG2-CG1 3.78Å; I141-V147 WeakPolarHBondContact CG2-O 3.4Å; T144-V147 WeakPolarHBondContact OG1-CA 3.34Å; T144-V147 PolarHBondContact OG1-N 2.9Å; V147-C151 WeakPolarHBondContact O-CB 3.3Å; V147-C151 PolarHBondContact O-N 2.96Å
148T88.7Confident85.3Confident43 Ų4351.9 Ų51.926%0.26431%0.314SS..Hα-helixtrans-66.2-49.9-179.2-61.80000111.3N146 C151 H152N146-T148 PolarHBondContact O-N 3.17Å; N146-T148 VanDerWaalsContact O-N 3.15Å; N146-T148 PolarHBondContact OD1-N 3.42Å; T148-C151 PolarHBondContact O-N 2.87Å; T148-H152 PolarHBondContact O-CD2 2.76Å; T148-H152 PolarHBondContact O-N 3.39Å
149D86.2Confident84.3Confident26 Ų2655.9 Ų55.914%0.13934%0.339CS..Hα-helixtrans-64.2-45.9179.3-71-4.2000110.9N146 C151 H152 N153 H380N146-D149 HydrophobicContact CB-CB 4.27Å; N146-D149 PolarHBondContact ND2-OD2 3.11Å; N146-D149 PolarHBondContact O-N 2.99Å; N146-D149 VanDerWaalsContact O-N 3.17Å; N146-D149 PolarHBondContact OD1-N 2.9Å; D149-C151 VanDerWaalsContact C-N 3.33Å; D149-C151 PolarHBondContact O-N 2.79Å; D149-H152 PolarHBondContact O-N 2.85Å; D149-N153 WeakPolarHBondContact O-CB 3.26Å; D149-N153 PolarHBondContact O-N 3.49Å; D149-N153 PolarHBondContact O-ND2 2.95Å; D149-H380 IonicContact OD1-CE1 2.66Å; D149-H380 IonicContact OD1-CG 3.53Å; D149-H380 IonicContact OD1-ND1 2.76Å; D149-H380 PolarHBondContact OD1-ND1 3.06Å
150S87.9Confident84.1Confident39 Ų3952.3 Ų52.327%0.27332%0.316SS..Hα-helixtrans-62.1-39.7177.3-67.30000112.2T144 N146 L154T144-S150 PolarHBondContact OG1-OG 3.15Å; N146-S150 PolarHBondContact O-N 3.07Å; N146-S150 PolarHBondContact O-OG 3.45Å; S150-L154 WeakPolarHBondContact O-CB 3.36Å; S150-L154 PolarHBondContact O-N 2.84Å
151C89.6Confident83.8Confident11 Ų1148.2 Ų48.27%0.07431%0.308CS..Hα-helixtrans-64.6-45.3174.6-176.60000111.7I141 V147 T148 D149 L154 L155I141-C151 HydrophobicContact CD1-CB 4.39Å; I141-C151 HydrophobicContact CG2-CB 4.12Å; V147-C151 WeakPolarHBondContact O-CB 3.3Å; V147-C151 PolarHBondContact O-N 2.96Å; T148-C151 PolarHBondContact O-N 2.87Å; D149-C151 VanDerWaalsContact C-N 3.33Å; D149-C151 PolarHBondContact O-N 2.79Å; C151-L154 PolarHBondContact O-N 2.97Å; C151-L155 VanDerWaalsContact O-CG 3.28Å; C151-L155 WeakPolarHBondContact O-CG 3.33Å; C151-L155 PolarHBondContact O-N 3.14Å
152H84.5Confident83.6Confident50 Ų5050.3 Ų50.323%0.23132%0.316CS..Hα-helixtrans-66.1-42.6178.8-91.8-81.5000112R132 T148 D149 L154 L155 L156 H380R132-H152 PolarHBondContact NH1-NE2 2.86Å; R132-H152 VanDerWaalsContact NH1-NE2 3.17Å; R132-H152 PolarHBondContact NH2-NE2 3.11Å; T148-H152 PolarHBondContact O-CD2 2.76Å; T148-H152 PolarHBondContact O-N 3.39Å; D149-H152 PolarHBondContact O-N 2.85Å; H152-L154 VanDerWaalsContact C-N 3.29Å; H152-L154 PolarHBondContact O-N 3.23Å; H152-L155 CarbonylContact O-C 3.58Å; H152-L155 PolarHBondContact O-N 3.49Å; H152-L155 VanDerWaalsContact O-N 3.13Å; H152-L156 WeakPolarHBondContact O-CB 3.44Å; H152-L156 WeakPolarHBondContact O-CG 3.44Å; H152-L156 PolarHBondContact O-N 3.27Å; H152-H380 HydrophobicContact CB-CB 3.7Å; H152-H380 WeakPolarHBondContact CB-CD2 3.25Å; H152-H380 AromaticContact CD2-CD2 3.63Å; H152-H380 AromaticContact CD2-CE1 3.62Å; H152-H380 AromaticContact CD2-NE2 3.26Å; H152-H380 PolarHBondContact CD2-NE2 3.08Å; H152-H380 VanDerWaalsContact CD2-NE2 3.26Å; H152-H380 AromaticContact CE1-NE2 3.76Å; H152-H380 AromaticContact CG-CD2 3.21Å; H152-H380 AromaticContact CG-CE1 3.98Å; H152-H380 AromaticContact CG-CG 3.75Å; H152-H380 AromaticContact CG-NE2 3.37Å; H152-H380 AromaticContact ND1-CD2 3.56Å; H152-H380 AromaticContact ND1-NE2 3.7Å; H152-H380 AromaticContact NE2-NE2 3.58Å
153N82.6Confident82.9Confident60 Ų6050 Ų5032%0.32131%0.31SS..Hα-helixtrans-61.2-38.8175.3-67.9-15.6000111.4D149 L156 S157 H380D149-N153 WeakPolarHBondContact O-CB 3.26Å; D149-N153 PolarHBondContact O-N 3.49Å; D149-N153 PolarHBondContact O-ND2 2.95Å; N153-L156 CarbonylContact O-C 3.42Å; N153-L156 PolarHBondContact O-N 3.22Å; N153-S157 PolarHBondContact O-N 3.48Å; N153-S157 PolarHBondContact O-OG 2.84Å; N153-H380 PolarHBondContact OD1-N 3.21Å; N153-H380 VanDerWaalsContact OD1-N 3.16Å
154L83.2Confident82Confident41 Ų4151.1 Ų51.122%0.21531%0.308CS..Hα-helixtrans-61.8-46173.1-178.165.7000111.2I141 S150 C151 H152 L156 S157 G158 C160I141-L154 HydrophobicContact CD1-CB 3.93Å; I141-L154 HydrophobicContact CD1-CD2 3.3Å; I141-L154 HydrophobicContact CD1-CG 4.23Å; I141-L154 HydrophobicContact CG1-CD2 4.38Å; S150-L154 WeakPolarHBondContact O-CB 3.36Å; S150-L154 PolarHBondContact O-N 2.84Å; C151-L154 PolarHBondContact O-N 2.97Å; H152-L154 VanDerWaalsContact C-N 3.29Å; H152-L154 PolarHBondContact O-N 3.23Å; L154-L156 VanDerWaalsContact C-N 3.29Å; L154-L156 PolarHBondContact O-N 2.8Å; L154-S157 WeakPolarHBondContact CA-OG 3.27Å; L154-S157 CarbonylContact O-C 3.59Å; L154-S157 WeakPolarHBondContact O-CA 3.31Å; L154-S157 PolarHBondContact O-N 3.27Å; L154-S157 PolarHBondContact O-OG 2.85Å; L154-G158 PolarHBondContact O-N 2.91Å; L154-C160 HydrophobicContact CD2-CB 3.8Å
155L81.1Confident80.9Confident37 Ų3751.4 Ų51.419%0.19431%0.31CS..Hα-helixtrans-64.8-30.6177.8-66.1171.1000112.9C151 H152 S157 G158 C160 F202 N354C151-L155 VanDerWaalsContact O-CG 3.28Å; C151-L155 WeakPolarHBondContact O-CG 3.33Å; C151-L155 PolarHBondContact O-N 3.14Å; H152-L155 CarbonylContact O-C 3.58Å; H152-L155 PolarHBondContact O-N 3.49Å; H152-L155 VanDerWaalsContact O-N 3.13Å; L155-S157 VanDerWaalsContact C-N 3.29Å; L155-G158 CarbonylContact C-O 3.57Å; L155-G158 VanDerWaalsContact CA-O 3.28Å; L155-G158 WeakPolarHBondContact CA-O 3.33Å; L155-C160 HydrophobicContact CD2-CB 4.05Å; L155-F202 HydrophobicContact CD1-CZ 4.17Å; L155-N354 PolarHBondContact O-ND2 3.01Å
156L72.3Confident80.1Confident25 Ų2554.3 Ų54.313%0.13130%0.302CS..THydrogen-bonded Turntrans-77.8-10.4170.9-68.9172.7000113.3H152 N153 L154 I351 M352 N354 K377H152-L156 WeakPolarHBondContact O-CB 3.44Å; H152-L156 WeakPolarHBondContact O-CG 3.44Å; H152-L156 PolarHBondContact O-N 3.27Å; N153-L156 CarbonylContact O-C 3.42Å; N153-L156 PolarHBondContact O-N 3.22Å; L154-L156 VanDerWaalsContact C-N 3.29Å; L154-L156 PolarHBondContact O-N 2.8Å; L156-I351 HydrophobicContact CD2-CG2 4.23Å; L156-M352 HydrophobicContact CD2-CG 4.41Å; L156-N354 PolarHBondContact O-OD1 2.91Å; L156-K377 PolarHBondContact O-NZ 3.41Å
157S71Confident79.7Confident67 Ų6757.9 Ų57.947%0.46932%0.315SS..THydrogen-bonded Turntrans-102.8-10.8175.168.40000113N153 L154 L155N153-S157 PolarHBondContact O-N 3.48Å; N153-S157 PolarHBondContact O-OG 2.84Å; L154-S157 WeakPolarHBondContact CA-OG 3.27Å; L154-S157 CarbonylContact O-C 3.59Å; L154-S157 WeakPolarHBondContact O-CA 3.31Å; L154-S157 PolarHBondContact O-N 3.27Å; L154-S157 PolarHBondContact O-OG 2.85Å; L155-S157 VanDerWaalsContact C-N 3.29Å
158G72.8Confident79.3Confident31 Ų3165.8 Ų65.832%0.3235%0.349SS..SBendtrans157.5-156-174.500000112L154 L155L154-G158 PolarHBondContact O-N 2.91Å; L155-G158 CarbonylContact C-O 3.57Å; L155-G158 VanDerWaalsContact CA-O 3.28Å; L155-G158 WeakPolarHBondContact CA-O 3.33Å
159V73.6Confident79.3Confident97 Ų9767.7 Ų67.759%0.58836%0.364SS*.  trans-99134.5178.5-1760000109.7A161 D163 L164V159-A161 PolarHBondContact O-N 3.42Å; V159-D163 HydrophobicContact CG1-CB 4.15Å; V159-L164 HydrophobicContact CG1-CD1 4.16Å; V159-L164 HydrophobicContact CG1-CG 4.41Å
160C85.6Confident79.4Confident10 Ų1068.5 Ų68.57%0.06837%0.368CS..  trans-68.6131.8169.4175.60000109.4L154 L155 Y162 D163L154-C160 HydrophobicContact CD2-CB 3.8Å; L155-C160 HydrophobicContact CD2-CB 4.05Å; C160-Y162 PolarHBondContact O-N 2.93Å; C160-D163 HydrophobicContact CB-CB 4.12Å; C160-D163 VanDerWaalsContact O-CB 3.31Å; C160-D163 WeakPolarHBondContact O-CB 3.42Å; C160-D163 PolarHBondContact O-N 2.9Å
161A82.5Confident79.4Confident68 Ų6868.2 Ų68.256%0.56236%0.363SS*.THydrogen-bonded Turntrans-57.2-14.3-178.300000115V159V159-A161 PolarHBondContact O-N 3.42Å
162Y87.1Confident79.5Confident52 Ų5270.6 Ų70.620%0.20438%0.38CS..THydrogen-bonded Turntrans-102.5-11.3178.4-59.6-93.8000113.4I137 N138 C160 P197 S198 C199I137-Y162 HydrophobicContact CD1-CD1 3.59Å; I137-Y162 HydrophobicContact CD1-CE1 3.97Å; I137-Y162 HydrophobicContact CD1-CG 4.47Å; I137-Y162 HydrophobicContact CG1-CD1 3.74Å; I137-Y162 HydrophobicContact CG1-CE1 4.06Å; I137-Y162 HydrophobicContact CG1-CG 4.26Å; N138-Y162 HydrophobicContact CB-CD2 3.84Å; N138-Y162 HydrophobicContact CB-CE2 3.8Å; C160-Y162 PolarHBondContact O-N 2.93Å; Y162-P197 HydrophobicContact CD1-CB 3.55Å; Y162-P197 HydrophobicContact CE1-CB 3.44Å; Y162-P197 VanDerWaalsContact CE1-CB 3.44Å; Y162-S198 CarbonylContact O-C 3.58Å; Y162-S198 WeakPolarHBondContact O-CA 3.3Å; Y162-C199 VanDerWaalsContact O-CB 3.24Å; Y162-C199 WeakPolarHBondContact O-CB 3.38Å; Y162-C199 PolarHBondContact O-N 2.83Å
163D77.5Confident79.8Confident50 Ų5075.9 Ų75.927%0.26740%0.398SS..THydrogen-bonded Turntrans-66.9-45.8-175.4-172.521.9000111.8V159 C160 F202V159-D163 HydrophobicContact CG1-CB 4.15Å; C160-D163 HydrophobicContact CB-CB 4.12Å; C160-D163 VanDerWaalsContact O-CB 3.31Å; C160-D163 WeakPolarHBondContact O-CB 3.42Å; C160-D163 PolarHBondContact O-N 2.9Å; D163-F202 HydrophobicContact CB-CE2 4.44Å; D163-F202 WeakPolarHBondContact OD1-CD2 3.5Å; D163-F202 WeakPolarHBondContact OD1-CE2 3.24Å
164L68.6Low80.3Confident121 Ų12173.7 Ų73.763%0.63439%0.388SS*.SBendtrans-92.2121.1174.8-68.3168.8000110.2V159 R166V159-L164 HydrophobicContact CG1-CD1 4.16Å; V159-L164 HydrophobicContact CG1-CG 4.41Å; L164-R166 PolarHBondContact O-N 3.36Å
165P64.1Low80.8Confident38 Ų3872.3 Ų72.325%0.24738%0.381CS..  trans-63.8123.8174.625.2-31.6000109.4K167 K168 L171P165-K167 PolarHBondContact O-N 3.37Å; P165-K167 VanDerWaalsContact O-N 3.12Å; P165-K168 HydrophobicContact CG-CG 4.25Å; P165-L171 HydrophobicContact CB-CB 4.43Å; P165-L171 HydrophobicContact CB-CD2 3.99Å; P165-L171 HydrophobicContact CG-CD2 4.12Å
166R67Low81.3Confident206 Ų20673.8 Ų73.878%0.77739%0.39SS*.SBendtrans-53.6-34.6177.3-69.9-175.5176.9-178.7-1.8112.4L164L164-R166 PolarHBondContact O-N 3.36Å
167K77.1Confident82.4Confident134 Ų13479.7 Ų79.758%0.58341%0.414SS*.  trans-143.1116.5174.7-69.8-179.7178.3178.40110.4P165 S169 D170 L171P165-K167 PolarHBondContact O-N 3.37Å; P165-K167 VanDerWaalsContact O-N 3.12Å; K167-S169 PolarHBondContact O-N 2.88Å; K167-D170 HydrophobicContact CB-CB 4.27Å; K167-D170 VanDerWaalsContact CD-OD2 3.26Å; K167-D170 WeakPolarHBondContact CD-OD2 3.48Å; K167-D170 PolarHBondContact O-N 3.2Å; K167-L171 PolarHBondContact O-N 2.95Å
168K83.1Confident83.5Confident176 Ų17677.2 Ų77.277%0.76540%0.396SS*.Hα-helixtrans-60.2-32.1177.6-70.6-175.7178.5179.10113.2P165 S172P165-K168 HydrophobicContact CG-CG 4.25Å; K168-S172 PolarHBondContact O-N 3.07Å
169S87.4Confident84.5Confident83 Ų8378.3 Ų78.358%0.5839%0.394SS*.Hα-helixtrans-67.5-39.9179.352.10000113.3K167 S172 R173K167-S169 PolarHBondContact O-N 2.88Å; S169-S172 PolarHBondContact O-N 2.88Å; S169-R173 WeakPolarHBondContact O-CB 3.29Å; S169-R173 PolarHBondContact O-N 3.29Å
170D88.1Confident85.4Confident43 Ų4382.1 Ų82.123%0.2340%0.398CS..Hα-helixtrans-66.6-42.4176.9-73.6-37.6000111.1K167 R173 A174 I196K167-D170 HydrophobicContact CB-CB 4.27Å; K167-D170 VanDerWaalsContact CD-OD2 3.26Å; K167-D170 WeakPolarHBondContact CD-OD2 3.48Å; K167-D170 PolarHBondContact O-N 3.2Å; D170-R173 PolarHBondContact O-N 3.15Å; D170-R173 IonicContact OD1-CZ 3.53Å; D170-R173 IonicContact OD1-NE 2.7Å; D170-R173 IonicContact OD1-NH2 3.11Å; D170-R173 PolarHBondContact OD1-NH2 3.31Å; D170-A174 PolarHBondContact O-N 3.26Å; D170-I196 HydrophobicContact CB-CG2 3.94Å
171L89.6Confident85.6Confident33 Ų3385.8 Ų85.817%0.17342%0.423CS..Hα-helixtrans-58.6-50.4173.8179.362000111.2P165 K167 R173 A174 V175 L193P165-L171 HydrophobicContact CB-CB 4.43Å; P165-L171 HydrophobicContact CB-CD2 3.99Å; P165-L171 HydrophobicContact CG-CD2 4.12Å; K167-L171 PolarHBondContact O-N 2.95Å; L171-R173 VanDerWaalsContact C-N 3.34Å; L171-R173 PolarHBondContact O-N 3.09Å; L171-A174 PolarHBondContact O-N 3.17Å; L171-V175 HydrophobicContact CD1-CG2 4.27Å; L171-V175 WeakPolarHBondContact O-CG2 3.37Å; L171-V175 PolarHBondContact O-N 3.28Å; L171-L193 HydrophobicContact CD1-CD2 3.5Å
172S90.7Very high85.2Confident61 Ų6182.9 Ų82.943%0.42740%0.401SS..Hα-helixtrans-55.7-49.2177.2-168.30000111.2K168 S169 A174 V175 D176K168-S172 PolarHBondContact O-N 3.07Å; S169-S172 PolarHBondContact O-N 2.88Å; S172-A174 VanDerWaalsContact C-N 3.29Å; S172-A174 PolarHBondContact O-N 2.85Å; S172-V175 PolarHBondContact O-N 3.44Å; S172-D176 WeakPolarHBondContact O-CB 3.37Å; S172-D176 PolarHBondContact O-N 3.14Å; S172-D176 VanDerWaalsContact O-OD2 3.09Å; S172-D176 PolarHBondContact OG-OD2 3.11Å
173R91.8Very high85.6Confident161 Ų16180.6 Ų80.661%0.60839%0.392SS*.Hα-helixtrans-60.7-36.3-179.2179.8172.957.3145.9-3.8112.9S169 D170 L171 K177S169-R173 WeakPolarHBondContact O-CB 3.29Å; S169-R173 PolarHBondContact O-N 3.29Å; D170-R173 PolarHBondContact O-N 3.15Å; D170-R173 IonicContact OD1-CZ 3.53Å; D170-R173 IonicContact OD1-NE 2.7Å; D170-R173 IonicContact OD1-NH2 3.11Å; D170-R173 PolarHBondContact OD1-NH2 3.31Å; L171-R173 VanDerWaalsContact C-N 3.34Å; L171-R173 PolarHBondContact O-N 3.09Å; R173-K177 WeakPolarHBondContact O-CB 3.4Å; R173-K177 PolarHBondContact O-N 2.69Å
174A92Very high86.5Confident13 Ų1378.3 Ų78.311%0.10738%0.38CS..Hα-helixtrans-73.8-42.2177.500000113D170 L171 S172 K177 L178 I196D170-A174 PolarHBondContact O-N 3.26Å; L171-A174 PolarHBondContact O-N 3.17Å; S172-A174 VanDerWaalsContact C-N 3.29Å; S172-A174 PolarHBondContact O-N 2.85Å; A174-K177 PolarHBondContact O-N 3.1Å; A174-L178 WeakPolarHBondContact O-CB 3.12Å; A174-L178 PolarHBondContact O-N 3Å; A174-I196 HydrophobicContact CB-CD1 3.21Å
175V93Very high87.7Confident12 Ų1274.1 Ų74.17%0.07336%0.358CS..Hα-helixtrans-60.5-47.6172.1172.40000110.1L171 S172 K177 L178 D179 L207L171-V175 HydrophobicContact CD1-CG2 4.27Å; L171-V175 WeakPolarHBondContact O-CG2 3.37Å; L171-V175 PolarHBondContact O-N 3.28Å; S172-V175 PolarHBondContact O-N 3.44Å; V175-K177 PolarHBondContact O-N 3.22Å; V175-L178 WeakPolarHBondContact O-CA 3.27Å; V175-L178 WeakPolarHBondContact O-CB 3.33Å; V175-L178 PolarHBondContact O-N 3.49Å; V175-D179 PolarHBondContact O-N 3.02Å; V175-L207 HydrophobicContact CG1-CD1 4.2Å; V175-L207 HydrophobicContact CG1-CD2 3.63Å; V175-L207 HydrophobicContact CG2-CD1 4.43Å; V175-L207 HydrophobicContact CG2-CD2 4.35Å
176D93.5Very high89.2Confident69 Ų6972.8 Ų72.837%0.36935%0.348SS..Hα-helixtrans-60.7-36178.3-66.1-31.1000112S172 R180S172-D176 WeakPolarHBondContact O-CB 3.37Å; S172-D176 PolarHBondContact O-N 3.14Å; S172-D176 VanDerWaalsContact O-OD2 3.09Å; S172-D176 PolarHBondContact OG-OD2 3.11Å; D176-R180 WeakPolarHBondContact O-CB 3.33Å; D176-R180 VanDerWaalsContact O-CG 3.3Å; D176-R180 WeakPolarHBondContact O-CG 3.46Å; D176-R180 VanDerWaalsContact O-CZ 3.3Å; D176-R180 PolarHBondContact O-N 3.13Å; D176-R180 VanDerWaalsContact O-N 3.11Å; D176-R180 PolarHBondContact O-NE 3.25Å
177K94.4Very high90.5Very high149 Ų14968.4 Ų68.465%0.64834%0.337SS*.Hα-helixtrans-67.4-44.2174.6-176-177.2176.8-174.30110.9R173 A174 V175 R180 S181R173-K177 WeakPolarHBondContact O-CB 3.4Å; R173-K177 PolarHBondContact O-N 2.69Å; A174-K177 PolarHBondContact O-N 3.1Å; V175-K177 PolarHBondContact O-N 3.22Å; K177-R180 PolarHBondContact O-N 3.11Å; K177-S181 PolarHBondContact O-N 3.02Å; K177-S181 VanDerWaalsContact O-N 3.14Å; K177-S181 PolarHBondContact O-OG 3.35Å
178L94Very high91.3Very high15 Ų1565 Ų658%0.07933%0.325CS..Hα-helixtrans-61.9-48.2178.6-17567.6000111.1A174 V175 R180 S181 G182 W184 D188 L189 A192A174-L178 WeakPolarHBondContact O-CB 3.12Å; A174-L178 PolarHBondContact O-N 3Å; V175-L178 WeakPolarHBondContact O-CA 3.27Å; V175-L178 WeakPolarHBondContact O-CB 3.33Å; V175-L178 PolarHBondContact O-N 3.49Å; L178-R180 PolarHBondContact O-N 3.27Å; L178-S181 WeakPolarHBondContact CA-OG 3.3Å; L178-S181 PolarHBondContact O-N 3.29Å; L178-S181 VanDerWaalsContact O-N 3.11Å; L178-S181 PolarHBondContact O-OG 2.98Å; L178-G182 PolarHBondContact O-N 3.1Å; L178-W184 HydrophobicContact CD1-CB 3.74Å; L178-W184 HydrophobicContact CD1-CG 4.04Å; L178-W184 HydrophobicContact CD2-CB 4.2Å; L178-W184 HydrophobicContact CD2-CD2 3.72Å; L178-W184 HydrophobicContact CD2-CE3 4.28Å; L178-W184 HydrophobicContact CD2-CG 3.69Å; L178-W184 HydrophobicContact CG-CB 3.89Å; L178-W184 HydrophobicContact CG-CD2 4.18Å; L178-W184 HydrophobicContact CG-CG 3.6Å; L178-D188 HydrophobicContact CD1-CB 4.13Å; L178-L189 HydrophobicContact CD2-CB 4.27Å; L178-L189 HydrophobicContact CD2-CD1 3.79Å; L178-A192 HydrophobicContact CD1-CB 4.2Å; L178-A192 HydrophobicContact CD2-CB 4.39Å
179D93.9Very high91.9Very high54 Ų5456.8 Ų56.829%0.28929%0.29SS..Hα-helixtrans-62.1-40.7177.9-76.4-15000112.2V175 S181 G182 W184V175-D179 PolarHBondContact O-N 3.02Å; D179-S181 VanDerWaalsContact C-N 3.28Å; D179-S181 PolarHBondContact O-N 3.02Å; D179-G182 WeakPolarHBondContact O-CA 3.36Å; D179-G182 PolarHBondContact O-N 3.04Å; D179-W184 PolarHBondContact OD1-NE1 3.24Å
180R92Very high92.3Very high176 Ų17654.1 Ų54.166%0.66427%0.27SS*.Hα-helixtrans-64.8-30.8174.6-78.4-171.5-62.5-91.8-3.4113.2D176 K177 L178D176-R180 WeakPolarHBondContact O-CB 3.33Å; D176-R180 VanDerWaalsContact O-CG 3.3Å; D176-R180 WeakPolarHBondContact O-CG 3.46Å; D176-R180 VanDerWaalsContact O-CZ 3.3Å; D176-R180 PolarHBondContact O-N 3.13Å; D176-R180 VanDerWaalsContact O-N 3.11Å; D176-R180 PolarHBondContact O-NE 3.25Å; K177-R180 PolarHBondContact O-N 3.11Å; L178-R180 PolarHBondContact O-N 3.27Å
181S89.9Confident92.6Very high87 Ų8758 Ų5861%0.60829%0.287SS*.Hα-helixtrans-81.7-19.3175.954.40000114.1K177 L178 D179K177-S181 PolarHBondContact O-N 3.02Å; K177-S181 VanDerWaalsContact O-N 3.14Å; K177-S181 PolarHBondContact O-OG 3.35Å; L178-S181 WeakPolarHBondContact CA-OG 3.3Å; L178-S181 PolarHBondContact O-N 3.29Å; L178-S181 VanDerWaalsContact O-N 3.11Å; L178-S181 PolarHBondContact O-OG 2.98Å; D179-S181 VanDerWaalsContact C-N 3.28Å; D179-S181 PolarHBondContact O-N 3.02Å
182G75.3Confident92.7Very high8 Ų857.8 Ų57.88%0.08229%0.289CS..  trans21.2156.5162.800000122.5L178 D179L178-G182 PolarHBondContact O-N 3.1Å; D179-G182 WeakPolarHBondContact O-CA 3.36Å; D179-G182 PolarHBondContact O-N 3.04Å
183P94.6Very high92.8Very high4 Ų454.9 Ų54.93%0.02627%0.269CS..  cis-63.6161.7-43.234.2-39.5000110.1I113 L116 R117 M126I113-P183 HydrophobicContact CG2-CB 3.98Å; I113-P183 HydrophobicContact CG2-CG 3.86Å; L116-P183 HydrophobicContact CB-CG 4.27Å; L116-P183 HydrophobicContact CD2-CB 3.82Å; L116-P183 HydrophobicContact CD2-CG 4.18Å; L116-P183 HydrophobicContact CG-CB 4.29Å; L116-P183 HydrophobicContact CG-CG 4.12Å; R117-P183 HydrophobicContact CB-CG 3.79Å; R117-P183 HydrophobicContact CG-CG 4.46Å; R117-P183 PolarHBondContact NH2-O 2.83Å; M126-P183 HydrophobicContact SD-CB 3.48Å; M126-P183 WeakPolarHBondContact SD-CB 3.38Å
184W96Very high92.8Very high2 Ų251.5 Ų51.51%0.00826%0.262CS..  trans-122.5152.6-173.345.6-96.5000111.4M126 I128 L178 D179 D188 L189 L207M126-W184 HydrophobicContact CE-CD2 4.42Å; M126-W184 HydrophobicContact CE-CE3 4.48Å; M126-W184 VanDerWaalsContact CE-O 3.27Å; M126-W184 WeakPolarHBondContact CE-O 3.29Å; M126-W184 HydrophobicContact CG-CZ2 4.38Å; M126-W184 WeakPolarHBondContact O-CZ2 3.32Å; I128-W184 HydrophobicContact CB-CZ3 4.4Å; I128-W184 HydrophobicContact CD1-CE3 4.43Å; I128-W184 HydrophobicContact CD1-CZ3 4.46Å; I128-W184 WeakPolarHBondContact CD1-O 3.39Å; I128-W184 HydrophobicContact CG1-CE3 4.49Å; I128-W184 HydrophobicContact CG1-CZ3 4.08Å; L178-W184 HydrophobicContact CD1-CB 3.74Å; L178-W184 HydrophobicContact CD1-CG 4.04Å; L178-W184 HydrophobicContact CD2-CB 4.2Å; L178-W184 HydrophobicContact CD2-CD2 3.72Å; L178-W184 HydrophobicContact CD2-CE3 4.28Å; L178-W184 HydrophobicContact CD2-CG 3.69Å; L178-W184 HydrophobicContact CG-CB 3.89Å; L178-W184 HydrophobicContact CG-CD2 4.18Å; L178-W184 HydrophobicContact CG-CG 3.6Å; D179-W184 PolarHBondContact OD1-NE1 3.24Å; W184-D188 WeakPolarHBondContact CA-OD2 3.42Å; W184-D188 HydrophobicContact CB-CB 3.79Å; W184-L189 HydrophobicContact CE3-CB 4.03Å; W184-L189 HydrophobicContact CH2-CD2 4.41Å; W184-L189 HydrophobicContact CZ3-CB 4.05Å; W184-L189 HydrophobicContact CZ3-CD1 4.49Å; W184-L189 HydrophobicContact CZ3-CD2 4.01Å; W184-L189 HydrophobicContact CZ3-CG 4.4Å; W184-L207 HydrophobicContact CH2-CD1 4.03Å; W184-L207 HydrophobicContact CZ2-CD1 3.98Å
185D95.1Very high92.6Very high33 Ų3355.6 Ų55.618%0.17629%0.287CS..  trans-102-172.9170.665.620.6000112.9I128 E187 D188 L189I128-D185 HydrophobicContact CD1-CB 4.48Å; D185-E187 VanDerWaalsContact C-N 3.33Å; D185-E187 WeakPolarHBondContact OD1-CB 3.15Å; D185-E187 PolarHBondContact OD1-N 2.75Å; D185-D188 PolarHBondContact N-OD2 2.87Å; D185-D188 VanDerWaalsContact N-OD2 3.13Å; D185-D188 PolarHBondContact O-N 2.95Å; D185-D188 VanDerWaalsContact OD1-CG 3.31Å; D185-D188 PolarHBondContact OD1-N 3.1Å; D185-L189 PolarHBondContact O-N 3.37Å; D185-L189 VanDerWaalsContact O-N 3.1Å
186I93.9Very high92.4Very high9 Ų956.8 Ų56.85%0.04629%0.293CS..Hα-helixtrans-65.6-41.2-177-68.1157.8000110.3H106 I128 S130 H134 T135 L189 V190H106-I186 HydrophobicContact CB-CD1 4.05Å; H106-I186 VanDerWaalsContact ND1-CD1 3.27Å; H106-I186 WeakPolarHBondContact ND1-CD1 3.38Å; I128-I186 HydrophobicContact CB-CG1 4.28Å; I128-I186 HydrophobicContact CG2-CD1 3.91Å; I128-I186 HydrophobicContact CG2-CG1 3.78Å; S130-I186 WeakPolarHBondContact OG-CD1 3.18Å; H134-I186 HydrophobicContact CB-CG2 4.28Å; T135-I186 HydrophobicContact CG2-CG2 4.03Å; I186-L189 PolarHBondContact O-N 2.93Å; I186-V190 HydrophobicContact CG2-CG2 4.31Å; I186-V190 VanDerWaalsContact O-CG2 3.3Å; I186-V190 WeakPolarHBondContact O-CG2 3.37Å; I186-V190 PolarHBondContact O-N 3.19Å
187E94.4Very high91.7Very high115 Ų11555.3 Ų55.354%0.53729%0.287SS..Hα-helixtrans-61.9-44178.5-67.876.6-175.700111D185 V190 Q191D185-E187 VanDerWaalsContact C-N 3.33Å; D185-E187 WeakPolarHBondContact OD1-CB 3.15Å; D185-E187 PolarHBondContact OD1-N 2.75Å; E187-V190 PolarHBondContact O-N 3.19Å; E187-Q191 VanDerWaalsContact O-CB 3.31Å; E187-Q191 WeakPolarHBondContact O-CB 3.4Å; E187-Q191 PolarHBondContact O-N 2.87Å
188D95.4Very high91.5Very high63 Ų6348.4 Ų48.434%0.33726%0.258SS..Hα-helixtrans-59.8-45.7174.4-69.1-34.8000111.9L178 W184 D185 Q191 A192L178-D188 HydrophobicContact CD1-CB 4.13Å; W184-D188 WeakPolarHBondContact CA-OD2 3.42Å; W184-D188 HydrophobicContact CB-CB 3.79Å; D185-D188 PolarHBondContact N-OD2 2.87Å; D185-D188 VanDerWaalsContact N-OD2 3.13Å; D185-D188 PolarHBondContact O-N 2.95Å; D185-D188 VanDerWaalsContact OD1-CG 3.31Å; D185-D188 PolarHBondContact OD1-N 3.1Å; D188-Q191 PolarHBondContact O-N 2.77Å; D188-A192 WeakPolarHBondContact O-CB 3.34Å; D188-A192 PolarHBondContact O-N 2.84Å
189L95.2Very high91.4Very high3 Ų348.6 Ų48.62%0.01626%0.26CS..Hα-helixtrans-62.6-47177.8176.766.9000111.7L178 W184 D185 I186 Q191 A192 L193 P200L178-L189 HydrophobicContact CD2-CB 4.27Å; L178-L189 HydrophobicContact CD2-CD1 3.79Å; W184-L189 HydrophobicContact CE3-CB 4.03Å; W184-L189 HydrophobicContact CH2-CD2 4.41Å; W184-L189 HydrophobicContact CZ3-CB 4.05Å; W184-L189 HydrophobicContact CZ3-CD1 4.49Å; W184-L189 HydrophobicContact CZ3-CD2 4.01Å; W184-L189 HydrophobicContact CZ3-CG 4.4Å; D185-L189 PolarHBondContact O-N 3.37Å; D185-L189 VanDerWaalsContact O-N 3.1Å; I186-L189 PolarHBondContact O-N 2.93Å; L189-Q191 VanDerWaalsContact C-N 3.34Å; L189-Q191 PolarHBondContact O-N 2.91Å; L189-A192 PolarHBondContact O-N 2.8Å; L189-L193 HydrophobicContact CD1-CD1 3.83Å; L189-L193 HydrophobicContact CD1-CG 4.27Å; L189-L193 HydrophobicContact CG-CD1 4.16Å; L189-L193 WeakPolarHBondContact O-CG 3.49Å; L189-L193 PolarHBondContact O-N 2.72Å; L189-L193 VanDerWaalsContact O-N 3.16Å; L189-P200 HydrophobicContact CD2-CB 4.38Å; L189-P200 HydrophobicContact CG-CB 4.37Å
190V95.2Very high91.4Very high26 Ų2646 Ų4616%0.15825%0.246CC..Hα-helixtrans-59.9-48.1178169.50000109.7I137 I186 E187 A192 L193 I194 P200I137-V190 HydrophobicContact CG2-CG1 3.77Å; I186-V190 HydrophobicContact CG2-CG2 4.31Å; I186-V190 VanDerWaalsContact O-CG2 3.3Å; I186-V190 WeakPolarHBondContact O-CG2 3.37Å; I186-V190 PolarHBondContact O-N 3.19Å; E187-V190 PolarHBondContact O-N 3.19Å; V190-A192 VanDerWaalsContact C-N 3.3Å; V190-A192 PolarHBondContact O-N 2.85Å; V190-L193 PolarHBondContact O-N 2.82Å; V190-L193 VanDerWaalsContact O-N 3.1Å; V190-I194 HydrophobicContact CG1-CD1 4.24Å; V190-I194 HydrophobicContact CG1-CG1 4.41Å; V190-I194 WeakPolarHBondContact O-CG1 3.48Å; V190-I194 PolarHBondContact O-N 2.93Å; V190-P200 HydrophobicContact CG2-CB 4.01Å; V190-P200 HydrophobicContact CG2-CG 4.1Å
191Q94.4Very high91.5Very high126 Ų12638 Ų3859%0.58922%0.216SC*.Hα-helixtrans-61.8-37.5179.9-172.460.629.900112.5E187 D188 L189 L193 P195E187-Q191 VanDerWaalsContact O-CB 3.31Å; E187-Q191 WeakPolarHBondContact O-CB 3.4Å; E187-Q191 PolarHBondContact O-N 2.87Å; D188-Q191 PolarHBondContact O-N 2.77Å; L189-Q191 VanDerWaalsContact C-N 3.34Å; L189-Q191 PolarHBondContact O-N 2.91Å; Q191-L193 VanDerWaalsContact C-N 3.28Å; Q191-L193 PolarHBondContact O-N 2.73Å; Q191-P195 WeakPolarHBondContact O-CD 3.45Å
192A93Very high91.5Very high27 Ų2737 Ų3722%0.22320%0.201CC..Hα-helixtrans-67.2-28176.700000113.3L178 D188 L189 V190L178-A192 HydrophobicContact CD1-CB 4.2Å; L178-A192 HydrophobicContact CD2-CB 4.39Å; D188-A192 WeakPolarHBondContact O-CB 3.34Å; D188-A192 PolarHBondContact O-N 2.84Å; L189-A192 PolarHBondContact O-N 2.8Å; V190-A192 VanDerWaalsContact C-N 3.3Å; V190-A192 PolarHBondContact O-N 2.85Å
193L92.3Very high92.3Very high1 Ų137.1 Ų37.11%0.00520%0.2CC..Hα-helixtrans-99.6-13.2-176.2-64.1-178.4000114.3L171 L189 V190 Q191 I196 P200 C203L171-L193 HydrophobicContact CD1-CD2 3.5Å; L189-L193 HydrophobicContact CD1-CD1 3.83Å; L189-L193 HydrophobicContact CD1-CG 4.27Å; L189-L193 HydrophobicContact CG-CD1 4.16Å; L189-L193 WeakPolarHBondContact O-CG 3.49Å; L189-L193 PolarHBondContact O-N 2.72Å; L189-L193 VanDerWaalsContact O-N 3.16Å; V190-L193 PolarHBondContact O-N 2.82Å; V190-L193 VanDerWaalsContact O-N 3.1Å; Q191-L193 VanDerWaalsContact C-N 3.28Å; Q191-L193 PolarHBondContact O-N 2.73Å; L193-I196 CarbonylContact O-C 3.38Å; L193-I196 PolarHBondContact O-N 2.94Å; L193-P200 HydrophobicContact CB-CG 4.12Å; L193-P200 HydrophobicContact CD1-CB 3.93Å; L193-P200 HydrophobicContact CD1-CG 3.95Å; L193-C203 HydrophobicContact CD1-CB 3.8Å
194I91.4Very high92.2Very high90 Ų9037 Ų3746%0.46220%0.199SC..THydrogen-bonded Turntrans-52.8-46.9172.2-75.7166.5000112.2I137 V190 I196I137-I194 HydrophobicContact CG2-CG1 4.15Å; V190-I194 HydrophobicContact CG1-CD1 4.24Å; V190-I194 HydrophobicContact CG1-CG1 4.41Å; V190-I194 WeakPolarHBondContact O-CG1 3.48Å; V190-I194 PolarHBondContact O-N 2.93Å; I194-I196 PolarHBondContact O-N 3.3Å
195P88.9Confident92Very high99 Ų9938.7 Ų38.764%0.64321%0.206SC*.THydrogen-bonded Turntrans-71-17.2178.9-18.633000114.2Q191Q191-P195 WeakPolarHBondContact O-CD 3.45Å
196I87Confident91.7Very high36 Ų3640.2 Ų40.219%0.18522%0.219CC..THydrogen-bonded Turntrans-123.680.3-176.7-58.1158.4000106.2D170 A174 L193 I194 S198D170-I196 HydrophobicContact CB-CG2 3.94Å; A174-I196 HydrophobicContact CB-CD1 3.21Å; L193-I196 CarbonylContact O-C 3.38Å; L193-I196 PolarHBondContact O-N 2.94Å; I194-I196 PolarHBondContact O-N 3.3Å; I196-S198 WeakPolarHBondContact O-CA 3.48Å; I196-S198 VanDerWaalsContact O-CB 3.28Å; I196-S198 WeakPolarHBondContact O-CB 3.44Å; I196-S198 PolarHBondContact O-N 3.13Å; I196-S198 PolarHBondContact O-OG 3.21Å
197P79.5Confident91.6Very high39 Ų3941.1 Ų41.125%0.25322%0.224SC..THydrogen-bonded Turntrans-59.680.2-160.826-36.9000112.2Y162Y162-P197 HydrophobicContact CD1-CB 3.55Å; Y162-P197 HydrophobicContact CE1-CB 3.44Å; Y162-P197 VanDerWaalsContact CE1-CB 3.44Å
198S90.2Very high91.6Very high4 Ų436 Ų363%0.02820%0.201CC..  trans-134133.4-173.3-51.80000106.3Y162 I196 P200Y162-S198 CarbonylContact O-C 3.58Å; Y162-S198 WeakPolarHBondContact O-CA 3.3Å; I196-S198 WeakPolarHBondContact O-CA 3.48Å; I196-S198 VanDerWaalsContact O-CB 3.28Å; I196-S198 WeakPolarHBondContact O-CB 3.44Å; I196-S198 PolarHBondContact O-N 3.13Å; I196-S198 PolarHBondContact O-OG 3.21Å; S198-P200 WeakPolarHBondContact O-CD 3.45Å
199C92.4Very high91.3Very high18 Ų1841.2 Ų41.212%0.12222%0.216CC..  trans-66.7114.2-168.8-172.90000111.3Y162 Y201 F202 C203Y162-C199 VanDerWaalsContact O-CB 3.24Å; Y162-C199 WeakPolarHBondContact O-CB 3.38Å; Y162-C199 PolarHBondContact O-N 2.83Å; C199-Y201 PolarHBondContact O-N 2.87Å; C199-F202 HydrophobicContact CB-CB 4.38Å; C199-F202 HydrophobicContact CB-CD2 3.87Å; C199-F202 PolarHBondContact O-N 3.46Å; C199-C203 VanDerWaalsContact O-CB 3.28Å; C199-C203 WeakPolarHBondContact O-CB 3.23Å; C199-C203 PolarHBondContact O-N 3.05Å
200P94.3Very high91.1Very high0 Ų044.7 Ų44.70%024%0.241CC..Hα-helixtrans-61.5-29.5179.1-22.333.4000113.1T135 I137 L189 V190 L193 S198 S204T135-P200 HydrophobicContact CG2-CB 4.47Å; T135-P200 VanDerWaalsContact O-CD 3.29Å; T135-P200 WeakPolarHBondContact O-CD 3.35Å; T135-P200 WeakPolarHBondContact O-CG 3.3Å; I137-P200 HydrophobicContact CD1-CG 4.34Å; I137-P200 HydrophobicContact CG1-CG 4.5Å; I137-P200 HydrophobicContact CG2-CG 3.99Å; L189-P200 HydrophobicContact CD2-CB 4.38Å; L189-P200 HydrophobicContact CG-CB 4.37Å; V190-P200 HydrophobicContact CG2-CB 4.01Å; V190-P200 HydrophobicContact CG2-CG 4.1Å; L193-P200 HydrophobicContact CB-CG 4.12Å; L193-P200 HydrophobicContact CD1-CB 3.93Å; L193-P200 HydrophobicContact CD1-CG 3.95Å; S198-P200 WeakPolarHBondContact O-CD 3.45Å; P200-S204 WeakPolarHBondContact O-CB 3.27Å; P200-S204 PolarHBondContact O-N 3.42Å; P200-S204 PolarHBondContact O-OG 3.48Å
201Y92.6Very high91.1Very high9 Ų943.6 Ų43.64%0.03523%0.234CC..Hα-helixtrans-60.7-52.1175177.7-103000112.4S130 R132 T135 C199 S204 R205S130-Y201 WeakPolarHBondContact O-CD2 3.43Å; S130-Y201 WeakPolarHBondContact O-CE2 3.3Å; R132-Y201 HydrophobicContact CG-CD1 4.23Å; R132-Y201 HydrophobicContact CG-CD2 3.69Å; R132-Y201 HydrophobicContact CG-CE1 4.26Å; R132-Y201 HydrophobicContact CG-CE2 3.71Å; R132-Y201 HydrophobicContact CG-CG 3.94Å; R132-Y201 VanDerWaalsContact CZ-CZ 3.48Å; R132-Y201 VanDerWaalsContact CZ-OH 3.29Å; R132-Y201 PolarHBondContact NH1-OH 2.85Å; R132-Y201 VanDerWaalsContact NH1-OH 3.14Å; R132-Y201 PolarHBondContact NH2-OH 2.86Å; T135-Y201 WeakPolarHBondContact OG1-CB 3.12Å; C199-Y201 PolarHBondContact O-N 2.87Å; Y201-S204 PolarHBondContact O-OG 3.27Å; Y201-R205 VanDerWaalsContact CZ-CZ 3.45Å; Y201-R205 VanDerWaalsContact CZ-NE 3.26Å; Y201-R205 WeakPolarHBondContact O-CD 3.35Å; Y201-R205 WeakPolarHBondContact O-CG 3.35Å; Y201-R205 PolarHBondContact O-N 2.91Å; Y201-R205 PolarHBondContact OH-NE 2.94Å; Y201-R205 PolarHBondContact OH-NH1 3.2Å; Y201-R205 PolarHBondContact OH-NH2 2.92Å
202F90Very high91.2Very high64 Ų6439.1 Ų39.128%0.28121%0.214SC..Hα-helixtrans-76.1-32.2179.2-67.5-61.2000111.9L155 D163 C199 R205 S206L155-F202 HydrophobicContact CD1-CZ 4.17Å; D163-F202 HydrophobicContact CB-CE2 4.44Å; D163-F202 WeakPolarHBondContact OD1-CD2 3.5Å; D163-F202 WeakPolarHBondContact OD1-CE2 3.24Å; C199-F202 HydrophobicContact CB-CB 4.38Å; C199-F202 HydrophobicContact CB-CD2 3.87Å; C199-F202 PolarHBondContact O-N 3.46Å; F202-R205 PolarHBondContact O-N 3.35Å; F202-S206 PolarHBondContact O-N 3.36Å
203C92.1Very high91.4Very high11 Ų1137.8 Ų37.87%0.07420%0.204CC..Hα-helixtrans-59.7-54.5174.9-177.50000111.5L193 C199 R205 S206 L207L193-C203 HydrophobicContact CD1-CB 3.8Å; C199-C203 VanDerWaalsContact O-CB 3.28Å; C199-C203 WeakPolarHBondContact O-CB 3.23Å; C199-C203 PolarHBondContact O-N 3.05Å; C203-R205 VanDerWaalsContact C-N 3.29Å; C203-R205 PolarHBondContact O-N 3.15Å; C203-S206 WeakPolarHBondContact O-CA 3.48Å; C203-S206 VanDerWaalsContact O-CB 3.31Å; C203-S206 WeakPolarHBondContact O-CB 3.28Å; C203-S206 PolarHBondContact O-N 3.35Å; C203-L207 WeakPolarHBondContact O-CG 3.16Å; C203-L207 PolarHBondContact O-N 2.67Å
204S93Very high91.6Very high1 Ų137.8 Ų37.81%0.00720%0.204CC..Hα-helixtrans-56-41.3178.8530000112.9S127 I128 P200 Y201 S206 L207 A208S127-S204 PolarHBondContact OG-O 2.82Å; I128-S204 VanDerWaalsContact O-CB 3.27Å; I128-S204 WeakPolarHBondContact O-CB 3.49Å; P200-S204 WeakPolarHBondContact O-CB 3.27Å; P200-S204 PolarHBondContact O-N 3.42Å; P200-S204 PolarHBondContact O-OG 3.48Å; Y201-S204 PolarHBondContact O-OG 3.27Å; S204-S206 VanDerWaalsContact C-N 3.35Å; S204-S206 PolarHBondContact O-N 2.94Å; S204-L207 PolarHBondContact O-N 3.48Å; S204-A208 PolarHBondContact O-N 2.86Å
205R91.2Very high91.9Very high39 Ų3933.5 Ų33.515%0.14718%0.182CC..Hα-helixtrans-64.4-37.1174.6-72168.7163.9-119.8-10112.9L129 Y201 F202 C203 A208 A229 T230L129-R205 HydrophobicContact CD2-CG 4.09Å; Y201-R205 VanDerWaalsContact CZ-CZ 3.45Å; Y201-R205 VanDerWaalsContact CZ-NE 3.26Å; Y201-R205 WeakPolarHBondContact O-CD 3.35Å; Y201-R205 WeakPolarHBondContact O-CG 3.35Å; Y201-R205 PolarHBondContact O-N 2.91Å; Y201-R205 PolarHBondContact OH-NE 2.94Å; Y201-R205 PolarHBondContact OH-NH1 3.2Å; Y201-R205 PolarHBondContact OH-NH2 2.92Å; F202-R205 PolarHBondContact O-N 3.35Å; C203-R205 VanDerWaalsContact C-N 3.29Å; C203-R205 PolarHBondContact O-N 3.15Å; R205-A208 PolarHBondContact O-N 2.98Å; R205-A229 PolarHBondContact NH1-O 2.93Å; R205-T230 HydrophobicContact CG-CG2 4.46Å; R205-T230 PolarHBondContact NH2-OG1 2.64Å
206S89.6Confident92.3Very high64 Ų6428.8 Ų28.845%0.44815%0.151SC..Hα-helixtrans-65.1-44.2172.7-1650000111.5F202 C203 S204 A208 R209F202-S206 PolarHBondContact O-N 3.36Å; C203-S206 WeakPolarHBondContact O-CA 3.48Å; C203-S206 VanDerWaalsContact O-CB 3.31Å; C203-S206 WeakPolarHBondContact O-CB 3.28Å; C203-S206 PolarHBondContact O-N 3.35Å; S204-S206 VanDerWaalsContact C-N 3.35Å; S204-S206 PolarHBondContact O-N 2.94Å; S206-A208 VanDerWaalsContact C-N 3.29Å; S206-A208 PolarHBondContact O-N 2.94Å; S206-R209 WeakPolarHBondContact O-CB 3.47Å; S206-R209 PolarHBondContact O-N 3.3Å; S206-R209 VanDerWaalsContact O-N 3.13Å
207L92.5Very high92.7Very high29 Ų2927.4 Ų27.415%0.15214%0.144CC..Hα-helixtrans-62.4-34.9176.7-62.4177.1000112.3V175 W184 C203 S204 R209 S210 A211V175-L207 HydrophobicContact CG1-CD1 4.2Å; V175-L207 HydrophobicContact CG1-CD2 3.63Å; V175-L207 HydrophobicContact CG2-CD1 4.43Å; V175-L207 HydrophobicContact CG2-CD2 4.35Å; W184-L207 HydrophobicContact CH2-CD1 4.03Å; W184-L207 HydrophobicContact CZ2-CD1 3.98Å; C203-L207 WeakPolarHBondContact O-CG 3.16Å; C203-L207 PolarHBondContact O-N 2.67Å; S204-L207 PolarHBondContact O-N 3.48Å; L207-R209 PolarHBondContact O-N 2.86Å; L207-R209 VanDerWaalsContact O-N 3.12Å; L207-S210 PolarHBondContact O-N 3.22Å; L207-S210 VanDerWaalsContact O-N 3.11Å; L207-S210 PolarHBondContact O-OG 3.44Å; L207-A211 WeakPolarHBondContact O-CB 3.4Å; L207-A211 PolarHBondContact O-N 2.92Å
208A92.9Very high93.4Very high7 Ų725.7 Ų25.76%0.05813%0.133CC..Hα-helixtrans-60.4-22.7176.500000113.2K98 L129 S204 R205 S206 S210 I214K98-A208 PolarHBondContact NZ-O 2.76Å; L129-A208 HydrophobicContact CD2-CB 3.96Å; S204-A208 PolarHBondContact O-N 2.86Å; R205-A208 PolarHBondContact O-N 2.98Å; S206-A208 VanDerWaalsContact C-N 3.29Å; S206-A208 PolarHBondContact O-N 2.94Å; A208-S210 VanDerWaalsContact C-N 3.34Å; A208-S210 PolarHBondContact O-N 2.96Å; A208-I214 HydrophobicContact CB-CD1 4.09Å; A208-I214 HydrophobicContact CB-CG1 4.25Å; A208-I214 HydrophobicContact CB-CG2 4.43Å; A208-I214 WeakPolarHBondContact O-CD1 3.38Å
209R90.7Very high93.5Very high172 Ų17228.8 Ų28.865%0.64915%0.149SC*.THydrogen-bonded Turntrans-67.8-33.3176.3-63.4-171.4175.1100.90.1112.8K98 S206 L207K98-R209 WeakPolarHBondContact CE-O 3.27Å; K98-R209 PolarHBondContact NZ-O 2.82Å; S206-R209 WeakPolarHBondContact O-CB 3.47Å; S206-R209 PolarHBondContact O-N 3.3Å; S206-R209 VanDerWaalsContact O-N 3.13Å; L207-R209 PolarHBondContact O-N 2.86Å; L207-R209 VanDerWaalsContact O-N 3.12Å
210S90.9Very high93.6Very high77 Ų7728.5 Ų28.554%0.53815%0.146SC..THydrogen-bonded Turntrans-110.90.1-178.657.70000114.2L207 A208L207-S210 PolarHBondContact O-N 3.22Å; L207-S210 VanDerWaalsContact O-N 3.11Å; L207-S210 PolarHBondContact O-OG 3.44Å; A208-S210 VanDerWaalsContact C-N 3.34Å; A208-S210 PolarHBondContact O-N 2.96Å
211A94.4Very high93.5Very high3 Ų328.6 Ų28.63%0.02515%0.146CC..  trans-72.1148177.300000112.5L207 I214L207-A211 WeakPolarHBondContact O-CB 3.4Å; L207-A211 PolarHBondContact O-N 2.92Å; A211-I214 HydrophobicContact CB-CG1 4.03Å
212D95.9Very high93.6Very high31 Ų3128.3 Ų28.317%0.16615%0.145CC..SBendtrans-86.7-34.5172.3-65-41000111.6L62 K66 I99 T124 K125L62-D212 HydrophobicContact CD2-CB 3.93Å; K66-D212 WeakPolarHBondContact CE-OD1 3.23Å; K66-D212 IonicContact NZ-OD1 2.95Å; K66-D212 PolarHBondContact NZ-OD1 3.33Å; K66-D212 IonicContact NZ-OD2 3.02Å; K66-D212 PolarHBondContact NZ-OD2 2.56Å; I99-D212 PolarHBondContact N-O 2.73Å; T124-D212 HydrophobicContact CG2-CB 3.76Å; K125-D212 WeakPolarHBondContact O-CB 3.32Å; K125-D212 PolarHBondContact O-N 2.95Å
213I97.5Very high93.7Very high0 Ų027.1 Ų27.10%014%0.141CC..EExtended strand (participates in β ladder)trans-128.7129.9176.5-172.3164.8000110.5L55 L59 I99 T124 K125 M126 S127 F215L55-I213 HydrophobicContact CD2-CD1 4Å; L59-I213 HydrophobicContact CD2-CD1 4.37Å; I99-I213 HydrophobicContact CB-CB 4.33Å; I99-I213 HydrophobicContact CB-CD1 4.48Å; I99-I213 HydrophobicContact CB-CG1 4.08Å; I99-I213 HydrophobicContact CG2-CD1 4.13Å; I99-I213 HydrophobicContact CG2-CG1 4.09Å; I99-I213 CarbonylContact O-C 3.53Å; I99-I213 VanDerWaalsContact O-CA 3.29Å; I99-I213 WeakPolarHBondContact O-CA 3.48Å; T124-I213 HydrophobicContact CG2-CG2 3.82Å; K125-I213 PolarHBondContact O-N 2.72Å; M126-I213 CarbonylContact C-O 3.57Å; M126-I213 WeakPolarHBondContact CA-O 3.37Å; M126-I213 HydrophobicContact CB-CG2 3.63Å; S127-I213 PolarHBondContact N-O 2.64Å; I213-F215 HydrophobicContact CD1-CE1 3.94Å; I213-F215 HydrophobicContact CD1-CE2 4.13Å; I213-F215 HydrophobicContact CD1-CZ 3.5Å; I213-F215 VanDerWaalsContact CD1-CZ 3.5Å; I213-F215 HydrophobicContact CG1-CE1 4.29Å; I213-F215 HydrophobicContact CG1-CE2 3.95Å; I213-F215 HydrophobicContact CG1-CZ 3.8Å; I213-F215 HydrophobicContact CG2-CE2 3.93Å; I213-F215 HydrophobicContact CG2-CZ 4.31Å
214I97.2Very high93.4Very high1 Ų127.5 Ų27.51%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-119.7120.4-178.8-58.9165.1000107.6K98 I99 Y100 Y101 S127 L129 A208 A211K98-I214 HydrophobicContact CD-CD1 3.95Å; I99-I214 PolarHBondContact O-N 2.94Å; Y100-I214 CarbonylContact C-O 3.57Å; Y100-I214 WeakPolarHBondContact CA-O 3.34Å; Y100-I214 HydrophobicContact CD1-CB 3.85Å; Y100-I214 HydrophobicContact CD1-CD1 4.15Å; Y100-I214 HydrophobicContact CD1-CG2 4.04Å; Y100-I214 HydrophobicContact CE1-CB 4Å; Y100-I214 HydrophobicContact CE1-CD1 3.47Å; Y100-I214 VanDerWaalsContact CE1-CD1 3.47Å; Y100-I214 HydrophobicContact CE1-CG1 4.34Å; Y100-I214 HydrophobicContact CE1-CG2 4.06Å; Y101-I214 PolarHBondContact N-O 3.39Å; S127-I214 WeakPolarHBondContact O-CA 3.47Å; L129-I214 HydrophobicContact CD1-CG2 3.79Å; L129-I214 HydrophobicContact CG-CG2 3.82Å; A208-I214 HydrophobicContact CB-CD1 4.09Å; A208-I214 HydrophobicContact CB-CG1 4.25Å; A208-I214 HydrophobicContact CB-CG2 4.43Å; A208-I214 WeakPolarHBondContact O-CD1 3.38Å; A211-I214 HydrophobicContact CB-CG1 4.03Å
215F97.9Very high93.1Very high0 Ų029 Ų290%015%0.151CC..EExtended strand (participates in β ladder)trans-95.3133.5174.7-57.5-88.8000110.7L55 Y101 I109 V112 I113 L116 M126 S127 I128 L129 I213L55-F215 HydrophobicContact CD2-CE1 4.35Å; L55-F215 HydrophobicContact CD2-CZ 4.41Å; Y101-F215 HydrophobicContact CD1-CD1 4.03Å; Y101-F215 HydrophobicContact CD1-CE1 4.13Å; Y101-F215 HydrophobicContact CD2-CE1 4.34Å; Y101-F215 AromaticContact CG-CD1 3.96Å; Y101-F215 HydrophobicContact CG-CD1 3.96Å; Y101-F215 AromaticContact CG-CE1 3.79Å; Y101-F215 HydrophobicContact CG-CE1 3.79Å; Y101-F215 VanDerWaalsContact O-CA 3.3Å; Y101-F215 WeakPolarHBondContact O-CA 3.49Å; I109-F215 HydrophobicContact CD1-CB 4.3Å; I109-F215 HydrophobicContact CG2-CB 3.61Å; I109-F215 HydrophobicContact CG2-CD1 4.34Å; I109-F215 HydrophobicContact CG2-CG 4.1Å; V112-F215 HydrophobicContact CG1-CD1 4.16Å; V112-F215 HydrophobicContact CG1-CE1 3.56Å; V112-F215 HydrophobicContact CG1-CZ 4.46Å; I113-F215 HydrophobicContact CD1-CD1 4.29Å; I113-F215 HydrophobicContact CD1-CD2 3.74Å; I113-F215 HydrophobicContact CD1-CE1 4.11Å; I113-F215 HydrophobicContact CD1-CE2 3.5Å; I113-F215 HydrophobicContact CD1-CG 4.12Å; I113-F215 HydrophobicContact CD1-CZ 3.71Å; L116-F215 HydrophobicContact CD2-CE2 4.35Å; L116-F215 HydrophobicContact CD2-CZ 4.08Å; M126-F215 HydrophobicContact CB-CE2 4.19Å; M126-F215 HydrophobicContact CE-CD2 3.75Å; M126-F215 HydrophobicContact CE-CE2 3.72Å; M126-F215 HydrophobicContact SD-CE2 4.25Å; S127-F215 PolarHBondContact O-N 3.46Å; I128-F215 CarbonylContact C-O 3.57Å; I128-F215 VanDerWaalsContact CA-O 3.3Å; I128-F215 WeakPolarHBondContact CA-O 3.38Å; I128-F215 HydrophobicContact CG1-CB 4.14Å; I128-F215 HydrophobicContact CG1-CD2 4.26Å; I128-F215 HydrophobicContact CG2-CB 4.33Å; L129-F215 PolarHBondContact N-O 3.28Å; I213-F215 HydrophobicContact CD1-CE1 3.94Å; I213-F215 HydrophobicContact CD1-CE2 4.13Å; I213-F215 HydrophobicContact CD1-CZ 3.5Å; I213-F215 VanDerWaalsContact CD1-CZ 3.5Å; I213-F215 HydrophobicContact CG1-CE1 4.29Å; I213-F215 HydrophobicContact CG1-CE2 3.95Å; I213-F215 HydrophobicContact CG1-CZ 3.8Å; I213-F215 HydrophobicContact CG2-CE2 3.93Å; I213-F215 HydrophobicContact CG2-CZ 4.31Å
216C96Very high93Very high0 Ų029.3 Ų29.30%016%0.156CC..EExtended strand (participates in β ladder)trans-157.1156.3175.357.10000111.6Y101 C102 T103 L129 Y220Y101-C216 PolarHBondContact O-N 2.83Å; C102-C216 WeakPolarHBondContact CA-O 3.46Å; C102-C216 WeakPolarHBondContact CB-O 3.29Å; C102-C216 PolarHBondContact SG-SG 3.45Å; T103-C216 PolarHBondContact N-O 3.21Å; L129-C216 HydrophobicContact CB-CB 3.88Å; L129-C216 HydrophobicContact CD1-CB 3.97Å; L129-C216 HydrophobicContact CG-CB 4.28Å; C216-Y220 HydrophobicContact CB-CD2 4.18Å; C216-Y220 HydrophobicContact CB-CG 4.12Å
217P95.3Very high92.7Very high6 Ų628.2 Ų28.24%0.03914%0.142CC..EExtended strand (participates in β ladder)trans-68.3159.2167.2-314.2000111.5T103 H106 I109 D219 Y220T103-P217 CarbonylContact O-C 3.54Å; T103-P217 WeakPolarHBondContact O-CA 3.5Å; H106-P217 VanDerWaalsContact CE1-CG 3.47Å; H106-P217 WeakPolarHBondContact CE1-CG 3.22Å; I109-P217 HydrophobicContact CD1-CG 4.41Å; P217-D219 VanDerWaalsContact CB-OD1 3.26Å; P217-D219 WeakPolarHBondContact CB-OD1 3.08Å; P217-D219 PolarHBondContact O-N 3.48Å; P217-D219 VanDerWaalsContact O-N 3.14Å; P217-Y220 HydrophobicContact CG-CD2 4.18Å; P217-Y220 HydrophobicContact CG-CE2 4.05Å; P217-Y220 PolarHBondContact O-N 3Å
218Y94.4Very high92.1Very high3 Ų330.9 Ų30.91%0.01216%0.164CC..THydrogen-bonded Turntrans-54.6-34-175.1-59.7-26000114.3C102 T103 R104 Y220 L221 L222 L241 D242 E243 A244 I247 A250C102-Y218 HydrophobicContact CB-CD1 3.75Å; C102-Y218 HydrophobicContact CB-CE1 4.18Å; T103-Y218 VanDerWaalsContact C-CE1 3.41Å; T103-Y218 WeakPolarHBondContact O-CD1 3.4Å; T103-Y218 WeakPolarHBondContact O-CE1 3.37Å; T103-Y218 PolarHBondContact O-N 3.26Å; R104-Y218 HydrophobicContact CB-CD2 4.46Å; R104-Y218 HydrophobicContact CB-CE2 4.13Å; Y218-Y220 PolarHBondContact O-N 2.96Å; Y218-L221 PolarHBondContact O-N 3.31Å; Y218-L222 WeakPolarHBondContact O-CG 3.41Å; Y218-L222 PolarHBondContact O-N 3.48Å; Y218-L241 HydrophobicContact CD1-CD2 4.11Å; Y218-L241 HydrophobicContact CE1-CB 4.03Å; Y218-L241 HydrophobicContact CE1-CD2 4.27Å; Y218-D242 PolarHBondContact OH-O 2.95Å; Y218-E243 PolarHBondContact OH-O 3.25Å; Y218-A244 PolarHBondContact OH-N 2.87Å; Y218-I247 HydrophobicContact CD2-CD1 4.43Å; Y218-A250 HydrophobicContact CD2-CB 3.97Å
219D92.6Very high91.3Very high69 Ų6933.2 Ų33.237%0.36918%0.183SC..Hα-helixtrans-59-29.5-176.962.2-27.9000112.4P217 L221 D223 N226P217-D219 VanDerWaalsContact CB-OD1 3.26Å; P217-D219 WeakPolarHBondContact CB-OD1 3.08Å; P217-D219 PolarHBondContact O-N 3.48Å; P217-D219 VanDerWaalsContact O-N 3.14Å; D219-L221 VanDerWaalsContact C-N 3.25Å; D219-L221 PolarHBondContact O-N 2.98Å; D219-D223 WeakPolarHBondContact O-CB 3.32Å; D219-D223 PolarHBondContact O-N 3.47Å; D219-N226 WeakPolarHBondContact O-CB 3.32Å; D219-N226 PolarHBondContact O-ND2 3.08Å
220Y93.8Very high90.5Very high13 Ų1325.7 Ų25.75%0.05116%0.156CC..Hα-helixtrans-66.3-26.4175.3-74.8-97.8000113.7L129 S130 S131 C216 P217 Y218 T230L129-Y220 HydrophobicContact CB-CD1 4.01Å; L129-Y220 HydrophobicContact CB-CE1 4.05Å; L129-Y220 HydrophobicContact CB-CG 4.46Å; L129-Y220 HydrophobicContact CD1-CD1 4.29Å; S130-Y220 PolarHBondContact O-OH 3.48Å; S131-Y220 WeakPolarHBondContact CA-OH 3.46Å; S131-Y220 PolarHBondContact N-OH 3.21Å; C216-Y220 HydrophobicContact CB-CD2 4.18Å; C216-Y220 HydrophobicContact CB-CG 4.12Å; P217-Y220 HydrophobicContact CG-CD2 4.18Å; P217-Y220 HydrophobicContact CG-CE2 4.05Å; P217-Y220 PolarHBondContact O-N 3Å; Y218-Y220 PolarHBondContact O-N 2.96Å; Y220-T230 HydrophobicContact CD1-CG2 4.31Å
221L93.9Very high89.6Confident1 Ų126.5 Ų26.51%0.00516%0.161CC..Hα-helixtrans-98-36.9179-60.4-167.9000112.8Y100 C102 Y218 D219 L232 V234 I239 L472Y100-L221 HydrophobicContact CD1-CD2 4.18Å; Y100-L221 HydrophobicContact CG-CD2 4.43Å; C102-L221 WeakPolarHBondContact SG-CD1 3.17Å; Y218-L221 PolarHBondContact O-N 3.31Å; D219-L221 VanDerWaalsContact C-N 3.25Å; D219-L221 PolarHBondContact O-N 2.98Å; L221-L232 HydrophobicContact CD2-CD1 4.16Å; L221-V234 HydrophobicContact CD2-CG1 3.95Å; L221-I239 HydrophobicContact CD1-CD1 4.28Å; L221-I239 HydrophobicContact CD1-CG1 4.42Å; L221-I239 HydrophobicContact CD1-CG2 3.81Å; L221-L472 HydrophobicContact CB-CD1 4.5Å; L221-L472 HydrophobicContact CB-CD2 4.04Å
222L94.2Very high88.8Confident3 Ų327.4 Ų27.42%0.01617%0.166CC..Hα-helixtrans-86.5-44.9-174.6-61.5174.4000112.5Y218 P224 I247 A250 A254 V468 F469 L472Y218-L222 WeakPolarHBondContact O-CG 3.41Å; Y218-L222 PolarHBondContact O-N 3.48Å; L222-P224 VanDerWaalsContact O-CD 3.27Å; L222-P224 WeakPolarHBondContact O-CD 3.43Å; L222-I247 HydrophobicContact CD1-CD1 3.64Å; L222-I247 HydrophobicContact CD2-CD1 4.4Å; L222-A250 HydrophobicContact CD1-CB 3.72Å; L222-A254 HydrophobicContact CB-CB 3.83Å; L222-V468 HydrophobicContact CB-CG1 4.24Å; L222-V468 HydrophobicContact CD2-CG1 4.22Å; L222-V468 WeakPolarHBondContact O-CG1 3.36Å; L222-F469 HydrophobicContact CD2-CD2 4.03Å; L222-L472 HydrophobicContact CD2-CD2 3.71Å
223D92.1Very high88.2Confident39 Ų3932.8 Ų32.821%0.20919%0.19CC..  trans-74.3118.2-178.1-177.2-20.2000109.8D219 L225 N226 R227 A254D219-D223 WeakPolarHBondContact O-CB 3.32Å; D219-D223 PolarHBondContact O-N 3.47Å; D223-L225 VanDerWaalsContact C-N 3.26Å; D223-L225 PolarHBondContact O-N 2.81Å; D223-L225 VanDerWaalsContact OD1-CB 3.31Å; D223-L225 WeakPolarHBondContact OD1-CB 3.34Å; D223-L225 PolarHBondContact OD1-N 3.5Å; D223-N226 HydrophobicContact CB-CB 4.09Å; D223-N226 PolarHBondContact O-N 3.34Å; D223-N226 PolarHBondContact OD2-ND2 2.95Å; D223-R227 WeakPolarHBondContact O-CB 3.49Å; D223-R227 PolarHBondContact O-N 3.41Å; D223-A254 HydrophobicContact CB-CB 4.31Å
224P85Confident87.8Confident20 Ų2032.8 Ų32.813%0.1319%0.19CC..Hα-helixtrans-63.5-29-179.4-22.836000114L222 S228 T391 Y395L222-P224 VanDerWaalsContact O-CD 3.27Å; L222-P224 WeakPolarHBondContact O-CD 3.43Å; P224-S228 VanDerWaalsContact O-CB 3.28Å; P224-S228 WeakPolarHBondContact O-CB 3.39Å; P224-S228 PolarHBondContact O-N 3.18Å; P224-S228 PolarHBondContact O-OG 3.02Å; P224-T391 HydrophobicContact CB-CG2 4.12Å; P224-T391 HydrophobicContact CG-CG2 4.24Å; P224-Y395 HydrophobicContact CG-CE2 3.71Å; P224-Y395 WeakPolarHBondContact CG-OH 3.21Å
225L88Confident87.6Confident31 Ų3136.9 Ų36.916%0.16222%0.215CC..Hα-helixtrans-68.2-43.4176-62.2178.4000110D223 S228 A229 N387 A388 T391D223-L225 VanDerWaalsContact C-N 3.26Å; D223-L225 PolarHBondContact O-N 2.81Å; D223-L225 VanDerWaalsContact OD1-CB 3.31Å; D223-L225 WeakPolarHBondContact OD1-CB 3.34Å; D223-L225 PolarHBondContact OD1-N 3.5Å; L225-S228 PolarHBondContact O-OG 3.27Å; L225-A229 WeakPolarHBondContact O-CB 3.34Å; L225-A229 PolarHBondContact O-N 3.48Å; L225-N387 HydrophobicContact CD2-CB 4Å; L225-A388 HydrophobicContact CD1-CB 3.76Å; L225-T391 WeakPolarHBondContact CD2-OG1 3.23Å
226N87.7Confident87.4Confident47 Ų4739.5 Ų39.525%0.25123%0.229SC..Hα-helixtrans-68.9-40.7176.1-70.5-32.7000111.6D219 D223 A229 T230D219-N226 WeakPolarHBondContact O-CB 3.32Å; D219-N226 PolarHBondContact O-ND2 3.08Å; D223-N226 HydrophobicContact CB-CB 4.09Å; D223-N226 PolarHBondContact O-N 3.34Å; D223-N226 PolarHBondContact OD2-ND2 2.95Å; N226-A229 PolarHBondContact O-N 2.92Å; N226-T230 WeakPolarHBondContact O-CB 3.36Å; N226-T230 PolarHBondContact O-N 3.42Å; N226-T230 PolarHBondContact O-OG1 2.99Å
227R84.4Confident87.4Confident41 Ų4140.5 Ų40.516%0.15523%0.234CC..Hα-helixtrans-64.5-46.4179.5-169.6171.568.3-173.83.5111.7D223 T230 S231D223-R227 WeakPolarHBondContact O-CB 3.49Å; D223-R227 PolarHBondContact O-N 3.41Å; R227-T230 PolarHBondContact O-N 2.72Å; R227-S231 PolarHBondContact O-N 3.27Å
228S79.5Confident87.6Confident85 Ų8540.2 Ų40.259%0.59423%0.232SC*.Hα-helixtrans-63.1-41.7175.1570000111.6P224 L225 T230P224-S228 VanDerWaalsContact O-CB 3.28Å; P224-S228 WeakPolarHBondContact O-CB 3.39Å; P224-S228 PolarHBondContact O-N 3.18Å; P224-S228 PolarHBondContact O-OG 3.02Å; L225-S228 PolarHBondContact O-OG 3.27Å; S228-T230 VanDerWaalsContact C-N 3.27Å; S228-T230 PolarHBondContact O-N 3.13Å
229A77Confident87.8Confident56 Ų5640.1 Ų40.146%0.46323%0.231SC..Hα-helixtrans-65.7-26.7176.600000113.6R205 L225 N226R205-A229 PolarHBondContact NH1-O 2.93Å; L225-A229 WeakPolarHBondContact O-CB 3.34Å; L225-A229 PolarHBondContact O-N 3.48Å; N226-A229 PolarHBondContact O-N 2.92Å
230T72.1Confident88Confident13 Ų1336.8 Ų36.88%0.0821%0.214CC..Hα-helixtrans-97.5-5.5-173.9-44.20000113.8L129 R205 Y220 N226 R227 S228 L232L129-T230 HydrophobicContact CD1-CG2 4.01Å; L129-T230 HydrophobicContact CD2-CG2 4.15Å; R205-T230 HydrophobicContact CG-CG2 4.46Å; R205-T230 PolarHBondContact NH2-OG1 2.64Å; Y220-T230 HydrophobicContact CD1-CG2 4.31Å; N226-T230 WeakPolarHBondContact O-CB 3.36Å; N226-T230 PolarHBondContact O-N 3.42Å; N226-T230 PolarHBondContact O-OG1 2.99Å; R227-T230 PolarHBondContact O-N 2.72Å; S228-T230 VanDerWaalsContact C-N 3.27Å; S228-T230 PolarHBondContact O-N 3.13Å; T230-L232 HydrophobicContact CG2-CD1 3.75Å; T230-L232 HydrophobicContact CG2-CD2 3.8Å; T230-L232 HydrophobicContact CG2-CG 3.56Å; T230-L232 PolarHBondContact O-N 3.42Å; T230-L232 VanDerWaalsContact O-N 3.15Å
231S72.3Confident88.2Confident94 Ų9436.3 Ų36.366%0.65721%0.212SC*.THydrogen-bonded Turntrans49.136.2-176.2-500000112.5R227 E233R227-S231 PolarHBondContact O-N 3.27Å; S231-E233 PolarHBondContact O-N 2.79Å
232L79.2Confident88.3Confident23 Ų2336.6 Ų36.612%0.1221%0.214CC..  trans-77.6121.7-178.4-65.2167.7000109.9Y100 L129 L221 T230Y100-L232 HydrophobicContact CE1-CD2 3.99Å; L129-L232 HydrophobicContact CD1-CD1 3.73Å; L129-L232 HydrophobicContact CD1-CD2 3.55Å; L129-L232 HydrophobicContact CD1-CG 4.23Å; L221-L232 HydrophobicContact CD2-CD1 4.16Å; T230-L232 HydrophobicContact CG2-CD1 3.75Å; T230-L232 HydrophobicContact CG2-CD2 3.8Å; T230-L232 HydrophobicContact CG2-CG 3.56Å; T230-L232 PolarHBondContact O-N 3.42Å; T230-L232 VanDerWaalsContact O-N 3.15Å
233E83.3Confident88.1Confident143 Ų14338.7 Ų38.767%0.66822%0.223SC*.  trans-85.9112.1167.9-67.8174.6-176.700108.1Y100 S231 H237Y100-E233 WeakPolarHBondContact CE2-O 3.19Å; Y100-E233 PolarHBondContact OH-O 3.06Å; S231-E233 PolarHBondContact O-N 2.79Å; E233-H237 PolarHBondContact O-CD2 3.37Å
234V88.2Confident88.2Confident1 Ų136.9 Ų36.91%0.00621%0.214CC..  trans-99.5-10.5175.6-62.40000112.3Y100 L221 D236 H237 I239 L472 M475Y100-V234 HydrophobicContact CE2-CG1 4.32Å; L221-V234 HydrophobicContact CD2-CG1 3.95Å; V234-D236 PolarHBondContact O-N 3.48Å; V234-H237 PolarHBondContact O-N 3.11Å; V234-I239 HydrophobicContact CB-CD1 4.49Å; V234-L472 HydrophobicContact CB-CD1 4.19Å; V234-L472 HydrophobicContact CG1-CD1 4.17Å; V234-L472 HydrophobicContact CG2-CD1 3.91Å; V234-M475 HydrophobicContact CG2-CB 4.11Å; V234-M475 HydrophobicContact CG2-CE 3.51Å; V234-M475 HydrophobicContact CG2-SD 4.07Å
235T93.2Very high88.5Confident86 Ų8637 Ų3753%0.52821%0.212SC..THydrogen-bonded Turntrans-61.4126.7-178.5-52.80000110.9H237 M475T235-H237 PolarHBondContact O-N 3.36Å; T235-H237 VanDerWaalsContact O-N 3.13Å; T235-M475 CarbonylContact C-O 3.57Å; T235-M475 VanDerWaalsContact CA-O 3.24Å; T235-M475 WeakPolarHBondContact CA-O 3.38Å; T235-M475 WeakPolarHBondContact OG1-CE 3.43Å
236D94.5Very high88.6Confident56 Ų5637 Ų3730%0.29921%0.213SC..THydrogen-bonded Turntrans53.229.1-178.1-153.840.7000113.6K37 P97 V234 M475 H477K37-D236 IonicContact NZ-OD1 3.52Å; K37-D236 PolarHBondContact NZ-OD1 3.05Å; K37-D236 IonicContact NZ-OD2 3.27Å; P97-D236 WeakPolarHBondContact CB-O 3.43Å; V234-D236 PolarHBondContact O-N 3.48Å; D236-M475 PolarHBondContact N-O 2.9Å; D236-H477 IonicContact OD1-ND1 3.51Å
237H96Very high89Confident21 Ų2134.8 Ų34.810%0.09720%0.201CC..  trans-110.8155.3171.5-71.8-10.2000111.2K98 Y100 E233 V234 T235 A476 H477K98-H237 PolarHBondContact N-ND1 3.05Å; Y100-H237 HydrophobicContact CD2-CB 3.98Å; Y100-H237 HydrophobicContact CE2-CB 3.72Å; Y100-H237 AromaticContact CE2-CD2 3.73Å; E233-H237 PolarHBondContact O-CD2 3.37Å; V234-H237 PolarHBondContact O-N 3.11Å; T235-H237 PolarHBondContact O-N 3.36Å; T235-H237 VanDerWaalsContact O-N 3.13Å; H237-A476 WeakPolarHBondContact O-CA 3.35Å; H237-H477 PolarHBondContact O-N 3.22Å
238I98.1Very high89.5Confident0 Ų032.9 Ų32.90%019%0.194CC..EExtended strand (participates in β ladder)trans-84.2131.4-176.8-64.5152.5000108.3L34 W61 P97 K98 I99 Y100 I240 H477L34-I238 HydrophobicContact CD2-CB 4.29Å; L34-I238 HydrophobicContact CD2-CD1 3.55Å; L34-I238 HydrophobicContact CD2-CG1 3.64Å; L34-I238 HydrophobicContact CD2-CG2 3.62Å; W61-I238 HydrophobicContact CE3-CD1 4.21Å; W61-I238 HydrophobicContact CH2-CD1 4.36Å; W61-I238 HydrophobicContact CZ3-CD1 3.65Å; P97-I238 HydrophobicContact CB-CD1 4.12Å; P97-I238 HydrophobicContact CB-CG1 4.31Å; P97-I238 HydrophobicContact CG-CD1 4.05Å; K98-I238 PolarHBondContact O-N 2.87Å; I99-I238 HydrophobicContact CG1-CB 4.32Å; I99-I238 HydrophobicContact CG1-CD1 4.03Å; I99-I238 HydrophobicContact CG1-CG2 4.48Å; Y100-I238 PolarHBondContact N-O 3.32Å; I238-I240 HydrophobicContact CG2-CG1 4.12Å; I238-H477 HydrophobicContact CG1-CB 4.32Å
239I98.1Very high90.2Very high0 Ų031.9 Ų31.90%018%0.182CC..EExtended strand (participates in β ladder)trans-115.9120.5175.9-58.1179000108.9L221 V234 L241 L472 A476 C478 V479 I480L221-I239 HydrophobicContact CD1-CD1 4.28Å; L221-I239 HydrophobicContact CD1-CG1 4.42Å; L221-I239 HydrophobicContact CD1-CG2 3.81Å; V234-I239 HydrophobicContact CB-CD1 4.49Å; I239-L241 HydrophobicContact CG2-CD2 3.55Å; I239-L241 HydrophobicContact CG2-CG 3.92Å; I239-L472 HydrophobicContact CD1-CD1 3.65Å; I239-L472 HydrophobicContact CD1-CD2 4.28Å; I239-L472 HydrophobicContact CD1-CG 3.85Å; I239-A476 HydrophobicContact CD1-CB 3.7Å; I239-A476 HydrophobicContact CG1-CB 4.01Å; I239-C478 PolarHBondContact N-O 3.22Å; I239-V479 HydrophobicContact CB-CG2 4.35Å; I239-V479 HydrophobicContact CG2-CG1 4.48Å; I239-V479 CarbonylContact O-C 3.48Å; I239-V479 WeakPolarHBondContact O-CA 3.42Å; I239-I480 PolarHBondContact O-N 2.97Å
240I98.5Very high91.1Very high0 Ų029.4 Ų29.40%016%0.161CC..EExtended strand (participates in β ladder)trans-112.4117.5173.3-58.5178.4000107.4L54 I99 Y100 Y101 C102 I238 I480L54-I240 HydrophobicContact CD1-CG2 3.85Å; L54-I240 HydrophobicContact CD2-CG2 4.13Å; L54-I240 HydrophobicContact CG-CG2 4.42Å; I99-I240 HydrophobicContact CG2-CD1 3.8Å; I99-I240 HydrophobicContact CG2-CG1 4.31Å; Y100-I240 PolarHBondContact O-N 3.02Å; Y101-I240 HydrophobicContact CD2-CB 4.34Å; Y101-I240 HydrophobicContact CD2-CD1 4.31Å; Y101-I240 HydrophobicContact CD2-CG2 4.14Å; Y101-I240 HydrophobicContact CE2-CG2 4.03Å; C102-I240 PolarHBondContact N-O 3.08Å; I238-I240 HydrophobicContact CG2-CG1 4.12Å; I240-I480 WeakPolarHBondContact CA-O 3.33Å; I240-I480 HydrophobicContact CG1-CB 4.36Å; I240-I480 HydrophobicContact CG1-CD1 4.43Å
241L97.6Very high92.2Very high3 Ų328.8 Ų28.82%0.01616%0.157CC..EExtended strand (participates in β ladder)trans-108.4104.9174.6-50.1-175.3000108.7C102 Y218 I239 A244 I247 F469 I480 L481 M482C102-L241 HydrophobicContact CB-CD2 3.54Å; Y218-L241 HydrophobicContact CD1-CD2 4.11Å; Y218-L241 HydrophobicContact CE1-CB 4.03Å; Y218-L241 HydrophobicContact CE1-CD2 4.27Å; I239-L241 HydrophobicContact CG2-CD2 3.55Å; I239-L241 HydrophobicContact CG2-CG 3.92Å; L241-A244 HydrophobicContact CB-CB 4.39Å; L241-I247 HydrophobicContact CD1-CD1 3.51Å; L241-I247 HydrophobicContact CD1-CG1 3.92Å; L241-F469 HydrophobicContact CD1-CE2 3.79Å; L241-F469 HydrophobicContact CD1-CZ 4.43Å; L241-I480 PolarHBondContact N-O 2.78Å; L241-L481 HydrophobicContact CB-CD2 3.63Å; L241-L481 HydrophobicContact CD1-CD2 3.52Å; L241-L481 HydrophobicContact CG-CD2 3.76Å; L241-M482 PolarHBondContact O-N 2.74Å
242D95.4Very high93.4Very high6 Ų625.3 Ų25.33%0.03213%0.13CC..EExtended strand (participates in β ladder)trans-90.2143.5176.6-163.14.9000110.2T51 L54 Y101 C102 T103 Y218 M482T51-D242 PolarHBondContact OG1-OD2 3.45Å; L54-D242 HydrophobicContact CD1-CB 4.43Å; Y101-D242 HydrophobicContact CE1-CB 3.73Å; Y101-D242 PolarHBondContact OH-OD2 3.37Å; C102-D242 PolarHBondContact O-N 2.69Å; T103-D242 HydrophobicContact CG2-CB 4.47Å; Y218-D242 PolarHBondContact OH-O 2.95Å; D242-M482 CarbonylContact C-O 3.58Å
243E90.9Very high94.2Very high48 Ų4829.3 Ų29.322%0.22415%0.148CC..THydrogen-bonded Turntrans60.437.9-165.9-61.8-58.2161.700115.4Y218 H245 M482 S483Y218-E243 PolarHBondContact OH-O 3.25Å; E243-H245 PolarHBondContact O-N 3.06Å; E243-H245 PolarHBondContact O-ND1 3.22Å; E243-H245 IonicContact OE2-CE1 3.13Å; E243-H245 PolarHBondContact OE2-CE1 3.45Å; E243-H245 IonicContact OE2-ND1 3.43Å; E243-H245 PolarHBondContact OE2-ND1 2.93Å; E243-H245 VanDerWaalsContact OE2-ND1 3.16Å; E243-M482 WeakPolarHBondContact CA-O 3.29Å; E243-M482 PolarHBondContact N-O 3.35Å; E243-S483 PolarHBondContact OE2-OG 3.2Å
244A94Very high94.7Very high0 Ų023.4 Ų23.40%012%0.123CC..G310 helixtrans-64.43-175.400000115.8Y218 L241 N246 I247 L481 M482 L486Y218-A244 PolarHBondContact OH-N 2.87Å; L241-A244 HydrophobicContact CB-CB 4.39Å; A244-N246 PolarHBondContact O-N 2.86Å; A244-N246 VanDerWaalsContact O-N 3.14Å; A244-I247 HydrophobicContact CB-CB 4.45Å; A244-I247 HydrophobicContact CB-CG2 4.48Å; A244-I247 WeakPolarHBondContact O-CB 3.2Å; A244-I247 WeakPolarHBondContact O-CG2 3.35Å; A244-I247 PolarHBondContact O-N 2.95Å; A244-I247 VanDerWaalsContact O-N 3.08Å; A244-L481 HydrophobicContact CB-CB 3.78Å; A244-L481 HydrophobicContact CB-CD2 4.15Å; A244-L481 HydrophobicContact CB-CG 4.39Å; A244-M482 PolarHBondContact N-O 3.34Å; A244-L486 HydrophobicContact CB-CD2 4.05Å
245H90.2Very high95Very high22 Ų2223.5 Ų23.510%0.10213%0.125CC..G310 helixtrans-61.4-19.7172.162-96.2000112.8E243 S483 Q772E243-H245 PolarHBondContact O-N 3.06Å; E243-H245 PolarHBondContact O-ND1 3.22Å; E243-H245 IonicContact OE2-CE1 3.13Å; E243-H245 PolarHBondContact OE2-CE1 3.45Å; E243-H245 IonicContact OE2-ND1 3.43Å; E243-H245 PolarHBondContact OE2-ND1 2.93Å; E243-H245 VanDerWaalsContact OE2-ND1 3.16Å; H245-S483 PolarHBondContact ND1-OG 2.81Å; H245-Q772 PolarHBondContact CD2-NE2 3.34Å; H245-Q772 PolarHBondContact NE2-NE2 3.36Å
246N91Very high95.2Very high32 Ų3221.2 Ų21.217%0.17111%0.112CC..G310 helixtrans-94.6-0.2176.7-60.3-58.6000114.1A244 E248 D249 A250A244-N246 PolarHBondContact O-N 2.86Å; A244-N246 VanDerWaalsContact O-N 3.14Å; N246-E248 VanDerWaalsContact C-N 3.28Å; N246-E248 PolarHBondContact O-N 2.85Å; N246-D249 PolarHBondContact O-N 3.42Å; N246-A250 WeakPolarHBondContact O-CB 3.5Å; N246-A250 PolarHBondContact O-N 2.89Å
247I94.9Very high95.3Very high0 Ų019.9 Ų19.90%010%0.104CC..Hα-helixtrans-66.4-30.4-167.6-168.153.8000113.3Y218 L222 L241 A244 A250 S251 F469 L481 L492 L496Y218-I247 HydrophobicContact CD2-CD1 4.43Å; L222-I247 HydrophobicContact CD1-CD1 3.64Å; L222-I247 HydrophobicContact CD2-CD1 4.4Å; L241-I247 HydrophobicContact CD1-CD1 3.51Å; L241-I247 HydrophobicContact CD1-CG1 3.92Å; A244-I247 HydrophobicContact CB-CB 4.45Å; A244-I247 HydrophobicContact CB-CG2 4.48Å; A244-I247 WeakPolarHBondContact O-CB 3.2Å; A244-I247 WeakPolarHBondContact O-CG2 3.35Å; A244-I247 PolarHBondContact O-N 2.95Å; A244-I247 VanDerWaalsContact O-N 3.08Å; I247-A250 HydrophobicContact CD1-CB 4.45Å; I247-S251 WeakPolarHBondContact O-CB 3.21Å; I247-S251 PolarHBondContact O-N 3.36Å; I247-S251 PolarHBondContact O-OG 3.4Å; I247-F469 HydrophobicContact CD1-CD2 4.23Å; I247-F469 HydrophobicContact CD1-CE2 4.01Å; I247-F469 HydrophobicContact CG1-CD2 3.92Å; I247-F469 HydrophobicContact CG1-CE2 3.58Å; I247-F469 HydrophobicContact CG1-CZ 4.49Å; I247-L481 HydrophobicContact CG2-CD1 4.43Å; I247-L492 HydrophobicContact CG2-CD1 3.75Å; I247-L496 HydrophobicContact CG2-CD1 3.94Å; I247-L496 HydrophobicContact CG2-CD2 4.24Å
248E94.8Very high95.3Very high2 Ų221.8 Ų21.81%0.00912%0.117CC..Hα-helixtrans-64.2-49.9175.9-66.4177.1-172.400111.4N246 S251 R252 P465 L492 E495 L496 Q765 R768N246-E248 VanDerWaalsContact C-N 3.28Å; N246-E248 PolarHBondContact O-N 2.85Å; E248-S251 PolarHBondContact O-N 2.81Å; E248-R252 WeakPolarHBondContact O-CG 3.36Å; E248-R252 PolarHBondContact O-N 2.68Å; E248-P465 HydrophobicContact CB-CG 4.48Å; E248-L492 HydrophobicContact CG-CD1 3.69Å; E248-L492 WeakPolarHBondContact OE1-CD1 3.26Å; E248-E495 HydrophobicContact CG-CB 4.19Å; E248-L496 HydrophobicContact CG-CD2 4.42Å; E248-Q765 PolarHBondContact OE2-NE2 2.94Å; E248-R768 IonicContact OE1-CZ 3.59Å; E248-R768 IonicContact OE1-NH1 2.73Å; E248-R768 PolarHBondContact OE1-NH1 2.91Å; E248-R768 IonicContact OE1-NH2 2.65Å; E248-R768 PolarHBondContact OE1-NH2 3.14Å; E248-R768 IonicContact OE2-CZ 3.52Å; E248-R768 IonicContact OE2-NH1 2.7Å; E248-R768 PolarHBondContact OE2-NH1 2.93Å
249D94.5Very high95.2Very high64 Ų6421.8 Ų21.834%0.34212%0.117SC..Hα-helixtrans-64.3-45176.8-73.2-43.2000110.6N246 S251 R252 E253N246-D249 PolarHBondContact O-N 3.42Å; D249-S251 VanDerWaalsContact C-N 3.27Å; D249-S251 PolarHBondContact O-N 2.73Å; D249-R252 PolarHBondContact O-N 2.85Å; D249-R252 IonicContact OD1-CZ 3.86Å; D249-R252 IonicContact OD1-NE 2.91Å; D249-R252 IonicContact OD1-NH2 2.68Å; D249-R252 PolarHBondContact OD1-NH2 2.9Å; D249-E253 WeakPolarHBondContact O-CB 3.38Å; D249-E253 VanDerWaalsContact O-CG 3.22Å; D249-E253 WeakPolarHBondContact O-CG 3.37Å; D249-E253 PolarHBondContact O-N 2.71Å
250A95.6Very high95Very high4 Ų423.1 Ų23.13%0.03313%0.125CC..Hα-helixtrans-55.8-41.5176.900000112.8Y218 L222 N246 I247 A254Y218-A250 HydrophobicContact CD2-CB 3.97Å; L222-A250 HydrophobicContact CD1-CB 3.72Å; N246-A250 WeakPolarHBondContact O-CB 3.5Å; N246-A250 PolarHBondContact O-N 2.89Å; I247-A250 HydrophobicContact CD1-CB 4.45Å; A250-A254 VanDerWaalsContact O-CB 3.32Å; A250-A254 WeakPolarHBondContact O-CB 3.14Å; A250-A254 PolarHBondContact O-N 3.14Å
251S96.6Very high94.8Very high0 Ų024.8 Ų24.80%013%0.133CC..Hα-helixtrans-73.3-38.1-179.7-56.90000111.9I247 E248 D249 A255I247-S251 WeakPolarHBondContact O-CB 3.21Å; I247-S251 PolarHBondContact O-N 3.36Å; I247-S251 PolarHBondContact O-OG 3.4Å; E248-S251 PolarHBondContact O-N 2.81Å; D249-S251 VanDerWaalsContact C-N 3.27Å; D249-S251 PolarHBondContact O-N 2.73Å; S251-A255 PolarHBondContact O-N 2.78Å
252R96.6Very high94.5Very high20 Ų2030.7 Ų30.78%0.07516%0.16CC..Hα-helixtrans-64.5-45.3172.7-76.3-171.7-72.1-89.51.7111.7E248 D249 A255 S256 C462 P465 E495E248-R252 WeakPolarHBondContact O-CG 3.36Å; E248-R252 PolarHBondContact O-N 2.68Å; D249-R252 PolarHBondContact O-N 2.85Å; D249-R252 IonicContact OD1-CZ 3.86Å; D249-R252 IonicContact OD1-NE 2.91Å; D249-R252 IonicContact OD1-NH2 2.68Å; D249-R252 PolarHBondContact OD1-NH2 2.9Å; R252-A255 CarbonylContact O-C 3.57Å; R252-A255 PolarHBondContact O-N 2.79Å; R252-S256 WeakPolarHBondContact O-CB 3.32Å; R252-S256 PolarHBondContact O-N 3.03Å; R252-S256 PolarHBondContact O-OG 3.11Å; R252-C462 WeakPolarHBondContact CB-O 3.35Å; R252-C462 WeakPolarHBondContact CD-O 3.35Å; R252-C462 VanDerWaalsContact CG-O 3.27Å; R252-C462 WeakPolarHBondContact CG-O 3.29Å; R252-P465 HydrophobicContact CG-CB 4.2Å; R252-E495 IonicContact NH1-OE2 2.79Å; R252-E495 PolarHBondContact NH1-OE2 2.97Å
253E95.5Very high94.4Very high107 Ų10733.4 Ų33.450%0.517%0.173SC..Hα-helixtrans-59.3-46.2177.6-74.4169.7170.100111.1R104 D249 A255 S256R104-E253 IonicContact CZ-OE2 3.87Å; R104-E253 IonicContact NH1-OE2 3.68Å; R104-E253 PolarHBondContact NH1-OE2 3.27Å; R104-E253 IonicContact NH2-OE1 2.78Å; R104-E253 IonicContact NH2-OE2 2.75Å; R104-E253 PolarHBondContact NH2-OE2 2.93Å; D249-E253 WeakPolarHBondContact O-CB 3.38Å; D249-E253 VanDerWaalsContact O-CG 3.22Å; D249-E253 WeakPolarHBondContact O-CG 3.37Å; D249-E253 PolarHBondContact O-N 2.71Å; E253-A255 PolarHBondContact O-N 2.94Å; E253-S256 PolarHBondContact O-N 2.66Å
254A95Very high94.6Very high19 Ų1931.1 Ų31.116%0.15716%0.162CC..Hα-helixtrans-60.6-26.3178.800000114.2L222 D223 A250L222-A254 HydrophobicContact CB-CB 3.83Å; D223-A254 HydrophobicContact CB-CB 4.31Å; A250-A254 VanDerWaalsContact O-CB 3.32Å; A250-A254 WeakPolarHBondContact O-CB 3.14Å; A250-A254 PolarHBondContact O-N 3.14Å
255A95Very high94.7Very high4 Ų435.8 Ų35.83%0.03318%0.182CC..THydrogen-bonded Turntrans-101.2-0176.200000113.9S251 R252 E253 Y407 C462 V468S251-A255 PolarHBondContact O-N 2.78Å; R252-A255 CarbonylContact O-C 3.57Å; R252-A255 PolarHBondContact O-N 2.79Å; E253-A255 PolarHBondContact O-N 2.94Å; A255-Y407 VanDerWaalsContact O-CE1 3.3Å; A255-Y407 WeakPolarHBondContact O-CE1 3.27Å; A255-Y407 PolarHBondContact O-OH 3.27Å; A255-C462 HydrophobicContact CB-CB 3.63Å; A255-V468 HydrophobicContact CB-CG2 3.57Å
256S97Very high94.8Very high37 Ų3736.7 Ų36.726%0.25919%0.192SC..  trans-99.3156.4179.3-63.30000111R252 E253 F460 C462R252-S256 WeakPolarHBondContact O-CB 3.32Å; R252-S256 PolarHBondContact O-N 3.03Å; R252-S256 PolarHBondContact O-OG 3.11Å; E253-S256 PolarHBondContact O-N 2.66Å; S256-F460 CarbonylContact C-O 3.57Å; S256-F460 WeakPolarHBondContact CA-O 3.4Å; S256-F460 VanDerWaalsContact CB-O 3.23Å; S256-F460 WeakPolarHBondContact CB-O 3.47Å; S256-C462 PolarHBondContact OG-N 3.32Å
257F96.9Very high95Very high28 Ų2835.2 Ų35.212%0.12318%0.184CC..EExtended strand (participates in β ladder)trans-147.1141.9177.8-175.6-129.1000111.6I259 F385 A388 L389 V392 F460F257-I259 HydrophobicContact CD1-CD1 4.27Å; F257-I259 HydrophobicContact CD1-CG1 3.81Å; F257-I259 HydrophobicContact CE1-CD1 3.9Å; F257-I259 HydrophobicContact CE1-CG1 3.4Å; F257-I259 VanDerWaalsContact CE1-CG1 3.4Å; F257-I259 HydrophobicContact CZ-CG1 4.12Å; F257-F385 HydrophobicContact CE1-CD2 4.36Å; F257-F385 HydrophobicContact CE1-CE2 4.31Å; F257-F385 AromaticContact CZ-CD2 3.95Å; F257-F385 HydrophobicContact CZ-CD2 3.95Å; F257-F385 HydrophobicContact CZ-CE2 4.33Å; F257-A388 HydrophobicContact CD1-CB 4.5Å; F257-A388 HydrophobicContact CD2-CB 3.72Å; F257-A388 HydrophobicContact CE1-CB 4.17Å; F257-A388 HydrophobicContact CE2-CB 3.36Å; F257-A388 HydrophobicContact CG-CB 4.3Å; F257-A388 HydrophobicContact CZ-CB 3.61Å; F257-L389 HydrophobicContact CD1-CD1 4.49Å; F257-L389 HydrophobicContact CE1-CB 3.94Å; F257-L389 HydrophobicContact CE1-CD1 4.44Å; F257-V392 HydrophobicContact CB-CB 4.11Å; F257-V392 HydrophobicContact CB-CG1 3.96Å; F257-V392 HydrophobicContact CB-CG2 4.35Å; F257-V392 HydrophobicContact CD1-CG1 4.06Å; F257-V392 HydrophobicContact CG-CG1 4.42Å; F257-F460 HydrophobicContact CB-CB 4.43Å; F257-F460 HydrophobicContact CD1-CD2 4.4Å; F257-F460 PolarHBondContact N-O 3.26Å; F257-F460 PolarHBondContact O-N 3.4Å
258T96Very high95.1Very high61 Ų6139.1 Ų39.137%0.37420%0.198SC..EExtended strand (participates in β ladder)trans-121.3129.9177.1-65.70000109.6Q263 N459T258-Q263 PolarHBondContact O-OE1 2.94Å; T258-N459 WeakPolarHBondContact CB-OD1 3.47Å; T258-N459 WeakPolarHBondContact CG2-OD1 3.32Å; T258-N459 PolarHBondContact OG1-OD1 3.18Å
259I95Very high95.1Very high0 Ų043.5 Ų43.50%022%0.222CC..EExtended strand (participates in β ladder)trans-111.7123.8175.6-55.5179.5000108.4F257 L264 F385 L389 S457 L458 F460F257-I259 HydrophobicContact CD1-CD1 4.27Å; F257-I259 HydrophobicContact CD1-CG1 3.81Å; F257-I259 HydrophobicContact CE1-CD1 3.9Å; F257-I259 HydrophobicContact CE1-CG1 3.4Å; F257-I259 VanDerWaalsContact CE1-CG1 3.4Å; F257-I259 HydrophobicContact CZ-CG1 4.12Å; I259-L264 HydrophobicContact CG2-CD1 3.64Å; I259-L264 HydrophobicContact CG2-CD2 3.87Å; I259-L264 HydrophobicContact CG2-CG 3.48Å; I259-L264 VanDerWaalsContact CG2-CG 3.48Å; I259-F385 HydrophobicContact CB-CE2 4.4Å; I259-F385 HydrophobicContact CD1-CE2 4Å; I259-F385 HydrophobicContact CD1-CZ 4.39Å; I259-F385 HydrophobicContact CG1-CE2 3.95Å; I259-F385 HydrophobicContact CG2-CE2 3.74Å; I259-F385 HydrophobicContact CG2-CZ 4.37Å; I259-L389 HydrophobicContact CD1-CD1 3.86Å; I259-L389 HydrophobicContact CD1-CD2 4.34Å; I259-S457 CarbonylContact O-C 3.08Å; I259-S457 WeakPolarHBondContact O-CA 3.3Å; I259-L458 HydrophobicContact CB-CB 4.41Å; I259-L458 PolarHBondContact N-O 3.42Å; I259-L458 PolarHBondContact O-N 3.42Å; I259-F460 HydrophobicContact CD1-CE2 3.6Å; I259-F460 HydrophobicContact CD1-CZ 4.3Å; I259-F460 HydrophobicContact CG1-CE2 4.12Å
260T94.3Very high95Very high29 Ų2942 Ų4218%0.17821%0.214CC..EExtended strand (participates in β ladder)trans-95.7154.3169.774.40000111.2Q262 Q263 L264 Q455T260-Q262 PolarHBondContact O-N 2.72Å; T260-Q263 WeakPolarHBondContact O-CB 3.36Å; T260-Q263 PolarHBondContact O-N 3.47Å; T260-Q263 VanDerWaalsContact O-N 3.1Å; T260-Q263 WeakPolarHBondContact OG1-CG 3.26Å; T260-Q263 PolarHBondContact OG1-N 2.96Å; T260-Q263 PolarHBondContact OG1-OE1 3.48Å; T260-L264 PolarHBondContact O-N 2.7Å; T260-Q455 PolarHBondContact OG1-NE2 3.05Å
261E93.6Very high94.9Very high35 Ų3541.9 Ų41.916%0.16421%0.213CC..Hα-helixtrans-56.8-32.6175.2-167.3-174.2161.500112.6L264 K265 L295 M298 Q455 L456E261-L264 PolarHBondContact O-N 3.14Å; E261-K265 HydrophobicContact CG-CD 4.29Å; E261-K265 WeakPolarHBondContact O-CG 3.25Å; E261-K265 PolarHBondContact O-N 3.43Å; E261-K265 VanDerWaalsContact OE1-CE 3.23Å; E261-K265 WeakPolarHBondContact OE1-CE 3.47Å; E261-K265 IonicContact OE1-NZ 2.78Å; E261-K265 PolarHBondContact OE1-NZ 3.39Å; E261-L295 HydrophobicContact CG-CD2 3.81Å; E261-M298 HydrophobicContact CB-CE 4.25Å; E261-Q455 HydrophobicContact CB-CG 4.42Å; E261-L456 PolarHBondContact N-O 3.33Å
262Q91.5Very high94.9Very high127 Ų12743.7 Ų43.759%0.59322%0.221SC*.Hα-helixtrans-72.5-35.2178.3-177.3178.66.900112.2T260 L264 K265 S266T260-Q262 PolarHBondContact O-N 2.72Å; Q262-L264 VanDerWaalsContact C-N 3.34Å; Q262-K265 PolarHBondContact O-N 3.07Å; Q262-S266 VanDerWaalsContact O-CB 3.29Å; Q262-S266 WeakPolarHBondContact O-CB 3.38Å; Q262-S266 PolarHBondContact O-N 3.14Å
263Q94.1Very high94.6Very high62 Ų6243.7 Ų43.729%0.2923%0.228SC..Hα-helixtrans-63.2-42.8173.6-74.4171.3-49.400111T258 T260 S266 A267 F385T258-Q263 PolarHBondContact O-OE1 2.94Å; T260-Q263 WeakPolarHBondContact O-CB 3.36Å; T260-Q263 PolarHBondContact O-N 3.47Å; T260-Q263 VanDerWaalsContact O-N 3.1Å; T260-Q263 WeakPolarHBondContact OG1-CG 3.26Å; T260-Q263 PolarHBondContact OG1-N 2.96Å; T260-Q263 PolarHBondContact OG1-OE1 3.48Å; Q263-S266 PolarHBondContact O-N 3.3Å; Q263-A267 VanDerWaalsContact O-CB 3.29Å; Q263-A267 WeakPolarHBondContact O-CB 3.41Å; Q263-A267 PolarHBondContact O-N 3.47Å; Q263-F385 HydrophobicContact CB-CD2 4.47Å
264L95.4Very high94.3Very high0 Ų038.6 Ų38.60%020%0.204CC..Hα-helixtrans-62.8-47.8176.1-71165.4000112I259 T260 E261 Q262 S266 A267 R268 V291 I294 L295 M298 F385I259-L264 HydrophobicContact CG2-CD1 3.64Å; I259-L264 HydrophobicContact CG2-CD2 3.87Å; I259-L264 HydrophobicContact CG2-CG 3.48Å; I259-L264 VanDerWaalsContact CG2-CG 3.48Å; T260-L264 PolarHBondContact O-N 2.7Å; E261-L264 PolarHBondContact O-N 3.14Å; Q262-L264 VanDerWaalsContact C-N 3.34Å; L264-S266 PolarHBondContact O-N 3.49Å; L264-A267 PolarHBondContact O-N 2.91Å; L264-R268 WeakPolarHBondContact O-CB 3.44Å; L264-R268 PolarHBondContact O-N 3.01Å; L264-V291 HydrophobicContact CB-CG1 4.1Å; L264-V291 HydrophobicContact CD2-CG1 3.95Å; L264-V291 WeakPolarHBondContact O-CG1 3.49Å; L264-I294 HydrophobicContact CD1-CB 4.28Å; L264-I294 HydrophobicContact CD1-CG2 3.64Å; L264-I294 HydrophobicContact CD2-CB 4.14Å; L264-I294 HydrophobicContact CD2-CD1 4.04Å; L264-I294 HydrophobicContact CD2-CG2 4.06Å; L264-L295 HydrophobicContact CB-CD1 4.19Å; L264-L295 HydrophobicContact CB-CD2 3.68Å; L264-L295 HydrophobicContact CB-CG 3.83Å; L264-L295 HydrophobicContact CD1-CD2 3.77Å; L264-L295 HydrophobicContact CD1-CG 4.01Å; L264-L295 HydrophobicContact CG-CD2 4.38Å; L264-L295 HydrophobicContact CG-CG 4.46Å; L264-M298 HydrophobicContact CD1-CE 4.47Å; L264-M298 HydrophobicContact CD1-SD 3.37Å; L264-M298 WeakPolarHBondContact CD1-SD 3.27Å; L264-F385 HydrophobicContact CD2-CE1 4.38Å; L264-F385 HydrophobicContact CD2-CE2 4.24Å; L264-F385 HydrophobicContact CD2-CZ 3.58Å
265K95Very high94.2Very high98 Ų9842.1 Ų42.143%0.42621%0.213SC..Hα-helixtrans-59.5-46.8176.9-75170.2168.7170.10111.8E261 Q262 A267 R268 D269E261-K265 HydrophobicContact CG-CD 4.29Å; E261-K265 WeakPolarHBondContact O-CG 3.25Å; E261-K265 PolarHBondContact O-N 3.43Å; E261-K265 VanDerWaalsContact OE1-CE 3.23Å; E261-K265 WeakPolarHBondContact OE1-CE 3.47Å; E261-K265 IonicContact OE1-NZ 2.78Å; E261-K265 PolarHBondContact OE1-NZ 3.39Å; Q262-K265 PolarHBondContact O-N 3.07Å; K265-A267 PolarHBondContact O-N 2.94Å; K265-R268 WeakPolarHBondContact O-CB 3.41Å; K265-R268 PolarHBondContact O-N 3.32Å; K265-D269 PolarHBondContact O-N 2.79Å
266S93.4Very high94Very high42 Ų4247.8 Ų47.829%0.29424%0.241SC..Hα-helixtrans-62-43.8177.2-171.90000112.3Q262 Q263 L264 R268 D269 D270Q262-S266 VanDerWaalsContact O-CB 3.29Å; Q262-S266 WeakPolarHBondContact O-CB 3.38Å; Q262-S266 PolarHBondContact O-N 3.14Å; Q263-S266 PolarHBondContact O-N 3.3Å; L264-S266 PolarHBondContact O-N 3.49Å; S266-R268 VanDerWaalsContact C-N 3.34Å; S266-D269 PolarHBondContact O-N 2.82Å; S266-D270 WeakPolarHBondContact O-CB 3.48Å; S266-D270 PolarHBondContact O-N 2.79Å
267A95.3Very high93.5Very high1 Ų148 Ų481%0.00824%0.241CC..Hα-helixtrans-64.8-40.1177.600000111.7Q263 L264 K265 L271 T382 F385 F386Q263-A267 VanDerWaalsContact O-CB 3.29Å; Q263-A267 WeakPolarHBondContact O-CB 3.41Å; Q263-A267 PolarHBondContact O-N 3.47Å; L264-A267 PolarHBondContact O-N 2.91Å; K265-A267 PolarHBondContact O-N 2.94Å; A267-L271 WeakPolarHBondContact O-CB 3.25Å; A267-L271 VanDerWaalsContact O-CG 3.24Å; A267-L271 WeakPolarHBondContact O-CG 3.46Å; A267-L271 PolarHBondContact O-N 2.97Å; A267-T382 HydrophobicContact CB-CG2 3.93Å; A267-F385 HydrophobicContact CB-CD1 3.99Å; A267-F385 HydrophobicContact CB-CE1 4.23Å; A267-F386 HydrophobicContact CB-CE2 4.44Å
268R95.9Very high93Very high81 Ų8147.7 Ų47.731%0.30625%0.246SC..Hα-helixtrans-60.8-47.9175-175.8-169.8172.4-78.4-7.4111.5L264 K265 S266 L271 E272 V291 D292L264-R268 WeakPolarHBondContact O-CB 3.44Å; L264-R268 PolarHBondContact O-N 3.01Å; K265-R268 WeakPolarHBondContact O-CB 3.41Å; K265-R268 PolarHBondContact O-N 3.32Å; S266-R268 VanDerWaalsContact C-N 3.34Å; R268-L271 PolarHBondContact O-N 2.87Å; R268-E272 WeakPolarHBondContact O-CB 3.31Å; R268-E272 PolarHBondContact O-N 3.18Å; R268-V291 HydrophobicContact CB-CG1 3.88Å; R268-D292 WeakPolarHBondContact CD-OD1 3.42Å; R268-D292 IonicContact NE-OD1 3.53Å; R268-D292 PolarHBondContact NE-OD1 3.03Å; R268-D292 IonicContact NE-OD2 2.73Å
269D94.7Very high92.6Very high94 Ų9445.2 Ų45.250%0.50323%0.23SC..Hα-helixtrans-67.4-38.1-177.7-65-18.3000111.5K265 S266 E272 G273K265-D269 PolarHBondContact O-N 2.79Å; S266-D269 PolarHBondContact O-N 2.82Å; D269-E272 PolarHBondContact O-N 2.91Å; D269-G273 PolarHBondContact O-N 2.75Å
270D92.4Very high92.4Very high33 Ų3347.2 Ų47.218%0.17624%0.239CC..Hα-helixtrans-59.1-47.6171.7-80.75.2000111.4S266 G273 L274 P378 T379 T382S266-D270 WeakPolarHBondContact O-CB 3.48Å; S266-D270 PolarHBondContact O-N 2.79Å; D270-G273 PolarHBondContact O-N 3.03Å; D270-L274 PolarHBondContact O-N 3.22Å; D270-P378 HydrophobicContact CB-CB 4.48Å; D270-T379 WeakPolarHBondContact OD2-CB 3.43Å; D270-T379 PolarHBondContact OD2-N 2.84Å; D270-T379 PolarHBondContact OD2-OG1 3.03Å; D270-T382 HydrophobicContact CB-CG2 4.29Å; D270-T382 WeakPolarHBondContact OD2-CB 3.31Å; D270-T382 PolarHBondContact OD2-OG1 3.46Å
271L94.8Very high92.4Very high2 Ų248.6 Ų48.61%0.0125%0.249CC..Hα-helixtrans-67.4-38.4178.4-70171.9000112.5A267 R268 G273 L274 R275 L287 I288 L347 F386A267-L271 WeakPolarHBondContact O-CB 3.25Å; A267-L271 VanDerWaalsContact O-CG 3.24Å; A267-L271 WeakPolarHBondContact O-CG 3.46Å; A267-L271 PolarHBondContact O-N 2.97Å; R268-L271 PolarHBondContact O-N 2.87Å; L271-G273 VanDerWaalsContact C-N 3.34Å; L271-L274 PolarHBondContact O-N 3.21Å; L271-R275 WeakPolarHBondContact O-CB 3.25Å; L271-R275 PolarHBondContact O-N 2.74Å; L271-L287 HydrophobicContact CD1-CB 3.64Å; L271-L287 HydrophobicContact CD2-CB 4.42Å; L271-L287 HydrophobicContact CD2-CD1 4.2Å; L271-I288 HydrophobicContact CB-CD1 3.94Å; L271-I288 HydrophobicContact CB-CG1 3.58Å; L271-I288 HydrophobicContact CD1-CG1 4.08Å; L271-I288 HydrophobicContact CG-CG1 4.5Å; L271-L347 HydrophobicContact CD2-CD2 3.55Å; L271-F386 HydrophobicContact CD1-CE2 3.84Å; L271-F386 HydrophobicContact CD1-CZ 3.72Å; L271-F386 HydrophobicContact CG-CE2 4.47Å
272E94.8Very high92.5Very high38 Ų3854 Ų5418%0.17827%0.274CS..Hα-helixtrans-65.1-41.3177.4-17659.8-161.500110.9R268 D269 L274 R275 I276 I288R268-E272 WeakPolarHBondContact O-CB 3.31Å; R268-E272 PolarHBondContact O-N 3.18Å; D269-E272 PolarHBondContact O-N 2.91Å; E272-L274 VanDerWaalsContact C-N 3.32Å; E272-L274 PolarHBondContact O-N 2.88Å; E272-R275 PolarHBondContact O-N 3.48Å; E272-R275 IonicContact OE1-CZ 3.95Å; E272-R275 IonicContact OE1-NE 3.05Å; E272-R275 IonicContact OE1-NH2 3.17Å; E272-R275 PolarHBondContact OE1-NH2 2.97Å; E272-R275 IonicContact OE2-CZ 3.87Å; E272-R275 IonicContact OE2-NE 2.7Å; E272-R275 PolarHBondContact OE2-NE 3.28Å; E272-R275 IonicContact OE2-NH2 3.68Å; E272-R275 PolarHBondContact OE2-NH2 3.04Å; E272-I276 HydrophobicContact CG-CD1 3.89Å; E272-I276 HydrophobicContact CG-CG1 4.4Å; E272-I276 WeakPolarHBondContact O-CB 3.25Å; E272-I276 VanDerWaalsContact O-CG1 3.28Å; E272-I276 WeakPolarHBondContact O-CG1 3.43Å; E272-I276 PolarHBondContact O-N 3.35Å; E272-I288 HydrophobicContact CB-CD1 4.49Å; E272-I288 WeakPolarHBondContact OE2-CD1 3.36Å
273G90.8Very high92.6Very high20 Ų2048.2 Ų48.221%0.20625%0.247CC..Hα-helixtrans-55.3-47.3173.100000112D269 D270 L271 V277D269-G273 PolarHBondContact O-N 2.75Å; D270-G273 PolarHBondContact O-N 3.03Å; L271-G273 VanDerWaalsContact C-N 3.34Å; G273-V277 WeakPolarHBondContact O-CG2 3.45Å; G273-V277 PolarHBondContact O-N 2.96Å
274L90.2Very high92.7Very high0 Ų045.2 Ų45.20%023%0.234CC..Hα-helixtrans-64-42.8175.8-73172000113.2D270 L271 E272 V277 G278 F279 L347 P376 P378D270-L274 PolarHBondContact O-N 3.22Å; L271-L274 PolarHBondContact O-N 3.21Å; E272-L274 VanDerWaalsContact C-N 3.32Å; E272-L274 PolarHBondContact O-N 2.88Å; L274-V277 WeakPolarHBondContact O-CG2 3.31Å; L274-V277 PolarHBondContact O-N 3.46Å; L274-G278 PolarHBondContact O-N 3.05Å; L274-G278 VanDerWaalsContact O-N 3.12Å; L274-F279 HydrophobicContact CB-CB 4.43Å; L274-F279 HydrophobicContact CD2-CB 4.06Å; L274-F279 HydrophobicContact CD2-CD1 3.87Å; L274-F279 HydrophobicContact CD2-CG 4.17Å; L274-F279 PolarHBondContact O-N 3.23Å; L274-L347 HydrophobicContact CD1-CD1 4.34Å; L274-P376 WeakPolarHBondContact CD2-O 3.32Å; L274-P378 HydrophobicContact CD1-CB 3.89Å; L274-P378 HydrophobicContact CD1-CG 3.73Å
275R92.8Very high92.7Very high93 Ų9347.5 Ų47.535%0.35125%0.249SC..Hα-helixtrans-63.2-44.9179.3-171.3-17969.81555.8111.8L271 E272 V277 G278 P281 C284 S285 I288L271-R275 WeakPolarHBondContact O-CB 3.25Å; L271-R275 PolarHBondContact O-N 2.74Å; E272-R275 PolarHBondContact O-N 3.48Å; E272-R275 IonicContact OE1-CZ 3.95Å; E272-R275 IonicContact OE1-NE 3.05Å; E272-R275 IonicContact OE1-NH2 3.17Å; E272-R275 PolarHBondContact OE1-NH2 2.97Å; E272-R275 IonicContact OE2-CZ 3.87Å; E272-R275 IonicContact OE2-NE 2.7Å; E272-R275 PolarHBondContact OE2-NE 3.28Å; E272-R275 IonicContact OE2-NH2 3.68Å; E272-R275 PolarHBondContact OE2-NH2 3.04Å; R275-V277 VanDerWaalsContact C-N 3.28Å; R275-V277 PolarHBondContact O-N 3.42Å; R275-G278 WeakPolarHBondContact O-CA 3.25Å; R275-G278 PolarHBondContact O-N 3.19Å; R275-P281 HydrophobicContact CG-CB 4.3Å; R275-C284 HydrophobicContact CB-CB 3.94Å; R275-C284 HydrophobicContact CG-CB 4.4Å; R275-S285 WeakPolarHBondContact CD-OG 3.31Å; R275-I288 HydrophobicContact CB-CD1 4.38Å
276I90.9Very high92.7Very high123 Ų12344.4 Ų44.463%0.63124%0.239SC*.Hα-helixtrans-60.4-40.4178.9-72.2168.5000110.7E272 G278E272-I276 HydrophobicContact CG-CD1 3.89Å; E272-I276 HydrophobicContact CG-CG1 4.4Å; E272-I276 WeakPolarHBondContact O-CB 3.25Å; E272-I276 VanDerWaalsContact O-CG1 3.28Å; E272-I276 WeakPolarHBondContact O-CG1 3.43Å; E272-I276 PolarHBondContact O-N 3.35Å; I276-G278 PolarHBondContact O-N 3.02Å
277V85.8Confident92.7Very high40 Ų4042.4 Ų42.424%0.24223%0.225CC..Hα-helixtrans-76.5-6.1175.6-61.20000113.2G273 L274 R275 F279 W360 R364 P376G273-V277 WeakPolarHBondContact O-CG2 3.45Å; G273-V277 PolarHBondContact O-N 2.96Å; L274-V277 WeakPolarHBondContact O-CG2 3.31Å; L274-V277 PolarHBondContact O-N 3.46Å; R275-V277 VanDerWaalsContact C-N 3.28Å; R275-V277 PolarHBondContact O-N 3.42Å; V277-F279 HydrophobicContact CG2-CB 4.24Å; V277-W360 HydrophobicContact CB-CH2 3.9Å; V277-W360 HydrophobicContact CG2-CH2 3.56Å; V277-W360 HydrophobicContact CG2-CZ2 4.44Å; V277-W360 HydrophobicContact CG2-CZ3 4.34Å; V277-W360 WeakPolarHBondContact O-CZ2 3.43Å; V277-R364 PolarHBondContact O-NE 2.83Å; V277-R364 PolarHBondContact O-NH2 3.44Å; V277-P376 HydrophobicContact CB-CG 4.25Å; V277-P376 HydrophobicContact CG1-CG 3.62Å; V277-P376 HydrophobicContact CG2-CG 3.64Å
278G87.4Confident92.8Very high22 Ų2242.7 Ų42.723%0.22723%0.226CC..THydrogen-bonded Turntrans80.521.9176.600000114.1L274 R275 I276L274-G278 PolarHBondContact O-N 3.05Å; L274-G278 VanDerWaalsContact O-N 3.12Å; R275-G278 WeakPolarHBondContact O-CA 3.25Å; R275-G278 PolarHBondContact O-N 3.19Å; I276-G278 PolarHBondContact O-N 3.02Å
279F87.6Confident92.7Very high10 Ų1041.5 Ų41.54%0.04423%0.234CC..SBendtrans-84.5115.3174.5-171.4-97.4000109.6L274 V277 C284 L347 I351 Y357 W360L274-F279 HydrophobicContact CB-CB 4.43Å; L274-F279 HydrophobicContact CD2-CB 4.06Å; L274-F279 HydrophobicContact CD2-CD1 3.87Å; L274-F279 HydrophobicContact CD2-CG 4.17Å; L274-F279 PolarHBondContact O-N 3.23Å; V277-F279 HydrophobicContact CG2-CB 4.24Å; F279-C284 PolarHBondContact O-SG 2.98Å; F279-C284 VanDerWaalsContact O-SG 3.38Å; F279-L347 HydrophobicContact CD1-CD1 3.99Å; F279-L347 HydrophobicContact CE1-CD1 3.87Å; F279-I351 HydrophobicContact CE1-CG1 3.89Å; F279-I351 HydrophobicContact CZ-CG1 4.45Å; F279-Y357 HydrophobicContact CD2-CD2 4.03Å; F279-Y357 HydrophobicContact CD2-CE2 4.07Å; F279-Y357 HydrophobicContact CE1-CD2 4.27Å; F279-Y357 HydrophobicContact CE1-CE2 4.39Å; F279-Y357 AromaticContact CE2-CD2 3.46Å; F279-Y357 HydrophobicContact CE2-CD2 3.46Å; F279-Y357 VanDerWaalsContact CE2-CD2 3.46Å; F279-Y357 AromaticContact CE2-CE2 3.94Å; F279-Y357 HydrophobicContact CE2-CE2 3.94Å; F279-Y357 HydrophobicContact CE2-CG 4.49Å; F279-Y357 HydrophobicContact CG-CE2 4.35Å; F279-Y357 AromaticContact CZ-CD2 3.58Å; F279-Y357 HydrophobicContact CZ-CD2 3.58Å; F279-Y357 HydrophobicContact CZ-CE2 4.1Å; F279-W360 HydrophobicContact CB-CH2 3.72Å; F279-W360 HydrophobicContact CB-CZ2 3.76Å; F279-W360 HydrophobicContact CB-CZ3 4.21Å; F279-W360 AromaticContact CD2-CD2 3.75Å; F279-W360 HydrophobicContact CD2-CD2 3.75Å; F279-W360 AromaticContact CD2-CE2 3.87Å; F279-W360 AromaticContact CD2-CE3 3.77Å; F279-W360 HydrophobicContact CD2-CE3 3.77Å; F279-W360 HydrophobicContact CD2-CG 4.35Å; F279-W360 HydrophobicContact CD2-CH2 4.2Å; F279-W360 HydrophobicContact CD2-CZ2 4.12Å; F279-W360 HydrophobicContact CD2-CZ3 4.01Å; F279-W360 HydrophobicContact CE2-CD2 4.4Å; F279-W360 HydrophobicContact CE2-CE3 4.43Å; F279-W360 HydrophobicContact CG-CH2 4.43Å; F279-W360 HydrophobicContact CG-CZ2 4.47Å; F279-W360 HydrophobicContact CG-CZ3 4.49Å
280E90.5Very high92.6Very high42 Ų4237.1 Ų37.120%0.19621%0.21CC..SBendtrans42.454.7-178-65.7-69-178.800113.5E282 A283 C284 K346 L347 S350E280-E282 VanDerWaalsContact C-N 3.29Å; E280-E282 PolarHBondContact O-N 3.48Å; E280-A283 HydrophobicContact CB-CB 4.22Å; E280-A283 PolarHBondContact O-N 3.04Å; E280-C284 PolarHBondContact O-N 2.89Å; E280-C284 PolarHBondContact O-SG 2.77Å; E280-C284 VanDerWaalsContact O-SG 3.34Å; E280-K346 WeakPolarHBondContact OE1-CE 3.35Å; E280-K346 IonicContact OE1-NZ 3.37Å; E280-K346 WeakPolarHBondContact OE2-CE 3.12Å; E280-K346 IonicContact OE2-NZ 3.9Å; E280-K346 PolarHBondContact OE2-NZ 3.02Å; E280-L347 HydrophobicContact CB-CD1 3.94Å; E280-L347 HydrophobicContact CG-CD1 4.4Å; E280-S350 PolarHBondContact OE1-OG 2.66Å
281P93.4Very high92.7Very high58 Ų5835.6 Ų35.638%0.37720%0.202SC..Hα-helixtrans-65.2-30.7-165.726.2-35.2000113.3R275 S285R275-P281 HydrophobicContact CG-CB 4.3Å; P281-S285 VanDerWaalsContact O-CB 3.29Å; P281-S285 WeakPolarHBondContact O-CB 3.42Å; P281-S285 PolarHBondContact O-N 3.19Å; P281-S285 PolarHBondContact O-OG 2.94Å
282E95.7Very high92.7Very high148 Ų14837.5 Ų37.569%0.69221%0.212SC*.Hα-helixtrans-66.3-50.8175.1-66.6177.4176.200110.8E280 C284 S285 T286E280-E282 VanDerWaalsContact C-N 3.29Å; E280-E282 PolarHBondContact O-N 3.48Å; E282-C284 VanDerWaalsContact C-N 3.34Å; E282-C284 PolarHBondContact O-N 3.03Å; E282-S285 PolarHBondContact O-N 3.34Å; E282-S285 VanDerWaalsContact O-N 3.11Å; E282-T286 PolarHBondContact O-N 2.69Å; E282-T286 PolarHBondContact O-OG1 3.47Å
283A94.7Very high92.6Very high5 Ų535.7 Ų35.74%0.04120%0.204CC..Hα-helixtrans-61.5-43.5177.700000111.5E280 S285 T286 L287 A343 L347E280-A283 HydrophobicContact CB-CB 4.22Å; E280-A283 PolarHBondContact O-N 3.04Å; A283-S285 VanDerWaalsContact C-N 3.31Å; A283-S285 PolarHBondContact O-N 3.37Å; A283-T286 PolarHBondContact O-N 3.13Å; A283-L287 WeakPolarHBondContact O-CG 3.47Å; A283-L287 PolarHBondContact O-N 3.37Å; A283-L287 VanDerWaalsContact O-N 3.08Å; A283-A343 HydrophobicContact CB-CB 4.06Å; A283-L347 HydrophobicContact CB-CB 4.29Å
284C95.1Very high92.8Very high0 Ų034.9 Ų34.90%020%0.195CC..Hα-helixtrans-59.9-42.4174.3-66.10000111.4R275 F279 E280 E282 L287 I288R275-C284 HydrophobicContact CB-CB 3.94Å; R275-C284 HydrophobicContact CG-CB 4.4Å; F279-C284 PolarHBondContact O-SG 2.98Å; F279-C284 VanDerWaalsContact O-SG 3.38Å; E280-C284 PolarHBondContact O-N 2.89Å; E280-C284 PolarHBondContact O-SG 2.77Å; E280-C284 VanDerWaalsContact O-SG 3.34Å; E282-C284 VanDerWaalsContact C-N 3.34Å; E282-C284 PolarHBondContact O-N 3.03Å; C284-L287 PolarHBondContact O-N 3.2Å; C284-I288 HydrophobicContact CB-CD1 4.49Å; C284-I288 WeakPolarHBondContact O-CB 3.41Å; C284-I288 WeakPolarHBondContact O-CD1 3.25Å; C284-I288 WeakPolarHBondContact O-CG1 3.4Å; C284-I288 PolarHBondContact O-N 3.17Å
285S95.9Very high93Very high47 Ų4735.6 Ų35.633%0.32920%0.198SC..Hα-helixtrans-64.9-42.2179.7-62.40000112.4R275 P281 E282 A283 L287 I288 A289R275-S285 WeakPolarHBondContact CD-OG 3.31Å; P281-S285 VanDerWaalsContact O-CB 3.29Å; P281-S285 WeakPolarHBondContact O-CB 3.42Å; P281-S285 PolarHBondContact O-N 3.19Å; P281-S285 PolarHBondContact O-OG 2.94Å; E282-S285 PolarHBondContact O-N 3.34Å; E282-S285 VanDerWaalsContact O-N 3.11Å; A283-S285 VanDerWaalsContact C-N 3.31Å; A283-S285 PolarHBondContact O-N 3.37Å; S285-L287 PolarHBondContact O-N 3.08Å; S285-I288 PolarHBondContact O-N 3.49Å; S285-A289 WeakPolarHBondContact O-CB 3.49Å; S285-A289 PolarHBondContact O-N 3.34Å
286T94.6Very high93Very high33 Ų3337.3 Ų37.320%0.20221%0.205CC..Hα-helixtrans-60.4-44.5174.9-59.80000111.3E282 A283 A289 M290 E339 Q340 A343E282-T286 PolarHBondContact O-N 2.69Å; E282-T286 PolarHBondContact O-OG1 3.47Å; A283-T286 PolarHBondContact O-N 3.13Å; T286-A289 PolarHBondContact O-N 3.06Å; T286-M290 PolarHBondContact O-N 3.05Å; T286-M290 VanDerWaalsContact O-N 3.14Å; T286-E339 HydrophobicContact CG2-CG 4.26Å; T286-Q340 HydrophobicContact CG2-CG 4.08Å; T286-A343 HydrophobicContact CG2-CB 4.08Å
287L94.7Very high92.9Very high0 Ų032.2 Ų32.20%018%0.179CC..Hα-helixtrans-73.1-35.2179.5-63.4175.5000113.3L271 A283 C284 S285 M290 V291 A343 Y344 L347 F386 F390L271-L287 HydrophobicContact CD1-CB 3.64Å; L271-L287 HydrophobicContact CD2-CB 4.42Å; L271-L287 HydrophobicContact CD2-CD1 4.2Å; A283-L287 WeakPolarHBondContact O-CG 3.47Å; A283-L287 PolarHBondContact O-N 3.37Å; A283-L287 VanDerWaalsContact O-N 3.08Å; C284-L287 PolarHBondContact O-N 3.2Å; S285-L287 PolarHBondContact O-N 3.08Å; L287-M290 HydrophobicContact CD2-SD 4.18Å; L287-M290 WeakPolarHBondContact O-CB 3.44Å; L287-M290 PolarHBondContact O-N 2.63Å; L287-V291 WeakPolarHBondContact O-CG2 3.21Å; L287-V291 PolarHBondContact O-N 3.27Å; L287-A343 HydrophobicContact CG-CB 4.46Å; L287-Y344 HydrophobicContact CD1-CD2 4.3Å; L287-L347 HydrophobicContact CD1-CD2 3.65Å; L287-F386 HydrophobicContact CB-CE1 4.31Å; L287-F386 HydrophobicContact CB-CZ 4.04Å; L287-F386 HydrophobicContact CD2-CD1 4.3Å; L287-F386 HydrophobicContact CD2-CE1 3.93Å; L287-F386 HydrophobicContact CD2-CZ 4.43Å; L287-F390 HydrophobicContact CD2-CZ 4.31Å
288I95.5Very high93.3Very high8 Ų830.3 Ų30.34%0.04117%0.168CC..Hα-helixtrans-62.9-45.9172.8-71.8161.9000109.8L271 E272 R275 C284 S285 M290 V291 D292L271-I288 HydrophobicContact CB-CD1 3.94Å; L271-I288 HydrophobicContact CB-CG1 3.58Å; L271-I288 HydrophobicContact CD1-CG1 4.08Å; L271-I288 HydrophobicContact CG-CG1 4.5Å; E272-I288 HydrophobicContact CB-CD1 4.49Å; E272-I288 WeakPolarHBondContact OE2-CD1 3.36Å; R275-I288 HydrophobicContact CB-CD1 4.38Å; C284-I288 HydrophobicContact CB-CD1 4.49Å; C284-I288 WeakPolarHBondContact O-CB 3.41Å; C284-I288 WeakPolarHBondContact O-CD1 3.25Å; C284-I288 WeakPolarHBondContact O-CG1 3.4Å; C284-I288 PolarHBondContact O-N 3.17Å; S285-I288 PolarHBondContact O-N 3.49Å; I288-M290 VanDerWaalsContact C-N 3.26Å; I288-M290 PolarHBondContact O-N 3.03Å; I288-V291 PolarHBondContact O-N 2.96Å; I288-D292 WeakPolarHBondContact O-CB 2.95Å; I288-D292 PolarHBondContact O-N 2.93Å
289A93.7Very high93.4Very high56 Ų5634.2 Ų34.246%0.46318%0.18SC..Hα-helixtrans-59.2-39.4177.900000112.1S285 T286 G293S285-A289 WeakPolarHBondContact O-CB 3.49Å; S285-A289 PolarHBondContact O-N 3.34Å; T286-A289 PolarHBondContact O-N 3.06Å; A289-G293 PolarHBondContact O-N 3.23Å
290M93.1Very high93.4Very high2 Ų239.6 Ų39.61%0.0121%0.209CC..Hα-helixtrans-61.3-52.1173.1179.1-171.2169.600111.7T286 L287 I288 G293 I294 L332 Q340 F386 L389 F390T286-M290 PolarHBondContact O-N 3.05Å; T286-M290 VanDerWaalsContact O-N 3.14Å; L287-M290 HydrophobicContact CD2-SD 4.18Å; L287-M290 WeakPolarHBondContact O-CB 3.44Å; L287-M290 PolarHBondContact O-N 2.63Å; I288-M290 VanDerWaalsContact C-N 3.26Å; I288-M290 PolarHBondContact O-N 3.03Å; M290-G293 WeakPolarHBondContact O-CA 3.37Å; M290-G293 PolarHBondContact O-N 3.24Å; M290-G293 VanDerWaalsContact O-N 3.14Å; M290-I294 WeakPolarHBondContact O-CG1 3.36Å; M290-I294 PolarHBondContact O-N 3.22Å; M290-I294 VanDerWaalsContact O-N 3.08Å; M290-L332 HydrophobicContact CE-CD2 3.22Å; M290-L332 HydrophobicContact CG-CD2 3.38Å; M290-L332 HydrophobicContact CG-CG 4.33Å; M290-L332 HydrophobicContact SD-CD2 3.85Å; M290-Q340 HydrophobicContact SD-CB 4.09Å; M290-Q340 HydrophobicContact SD-CG 4.01Å; M290-F386 HydrophobicContact CE-CD1 4.48Å; M290-F386 HydrophobicContact CE-CE1 4.38Å; M290-F386 HydrophobicContact SD-CE1 4.11Å; M290-L389 HydrophobicContact CE-CD2 3.45Å; M290-L389 VanDerWaalsContact CE-CD2 3.45Å; M290-L389 HydrophobicContact CE-CG 4.08Å; M290-F390 HydrophobicContact CE-CE1 3.77Å; M290-F390 HydrophobicContact CE-CZ 3.8Å; M290-F390 HydrophobicContact SD-CE1 4.33Å; M290-F390 HydrophobicContact SD-CZ 4.01Å
291V95.2Very high93.4Very high1 Ų138.1 Ų38.11%0.00620%0.203CC..Hα-helixtrans-61.7-45.6179.2170.10000111.6L264 R268 L287 I288 G293 I294 L295 F385 F386L264-V291 HydrophobicContact CB-CG1 4.1Å; L264-V291 HydrophobicContact CD2-CG1 3.95Å; L264-V291 WeakPolarHBondContact O-CG1 3.49Å; R268-V291 HydrophobicContact CB-CG1 3.88Å; L287-V291 WeakPolarHBondContact O-CG2 3.21Å; L287-V291 PolarHBondContact O-N 3.27Å; I288-V291 PolarHBondContact O-N 2.96Å; V291-G293 VanDerWaalsContact C-N 3.25Å; V291-G293 PolarHBondContact O-N 2.74Å; V291-I294 PolarHBondContact O-N 3Å; V291-L295 HydrophobicContact CG1-CD1 4.19Å; V291-L295 PolarHBondContact O-N 2.98Å; V291-F385 HydrophobicContact CG2-CE1 4.45Å; V291-F386 HydrophobicContact CG2-CE1 4.17Å; V291-F386 HydrophobicContact CG2-CZ 3.7Å
292D95.4Very high93.1Very high42 Ų4239.1 Ų39.123%0.22521%0.205CC..Hα-helixtrans-62.6-34.9175.8-75.8-24.2000111.2R268 I288 L295 R296R268-D292 WeakPolarHBondContact CD-OD1 3.42Å; R268-D292 IonicContact NE-OD1 3.53Å; R268-D292 PolarHBondContact NE-OD1 3.03Å; R268-D292 IonicContact NE-OD2 2.73Å; I288-D292 WeakPolarHBondContact O-CB 2.95Å; I288-D292 PolarHBondContact O-N 2.93Å; D292-L295 PolarHBondContact O-N 3.26Å; D292-R296 WeakPolarHBondContact O-CB 3.43Å; D292-R296 VanDerWaalsContact O-CG 3.27Å; D292-R296 WeakPolarHBondContact O-CG 3.29Å; D292-R296 PolarHBondContact O-N 2.8Å; D292-R296 PolarHBondContact O-NH1 3.12Å
293G92.5Very high92.5Very high0 Ų037.2 Ų37.20%021%0.208CC..Hα-helixtrans-58.3-50.9172.300000112.5A289 M290 V291 R296 V297 V330A289-G293 PolarHBondContact O-N 3.23Å; M290-G293 WeakPolarHBondContact O-CA 3.37Å; M290-G293 PolarHBondContact O-N 3.24Å; M290-G293 VanDerWaalsContact O-N 3.14Å; V291-G293 VanDerWaalsContact C-N 3.25Å; V291-G293 PolarHBondContact O-N 2.74Å; G293-R296 PolarHBondContact O-N 3.47Å; G293-V297 PolarHBondContact O-N 3.15Å; G293-V297 VanDerWaalsContact O-N 3.08Å; G293-V330 WeakPolarHBondContact O-CG1 3.42Å
294I94.2Very high91.8Very high3 Ų345.4 Ų45.42%0.01524%0.237CC..Hα-helixtrans-60.3-48177.3-59.2168.4000110.5L264 M290 V291 R296 V297 M298 L332 L389 L458L264-I294 HydrophobicContact CD1-CB 4.28Å; L264-I294 HydrophobicContact CD1-CG2 3.64Å; L264-I294 HydrophobicContact CD2-CB 4.14Å; L264-I294 HydrophobicContact CD2-CD1 4.04Å; L264-I294 HydrophobicContact CD2-CG2 4.06Å; M290-I294 WeakPolarHBondContact O-CG1 3.36Å; M290-I294 PolarHBondContact O-N 3.22Å; M290-I294 VanDerWaalsContact O-N 3.08Å; V291-I294 PolarHBondContact O-N 3Å; I294-R296 VanDerWaalsContact C-N 3.33Å; I294-R296 PolarHBondContact O-N 3.48Å; I294-V297 PolarHBondContact O-N 2.97Å; I294-V297 VanDerWaalsContact O-N 3.17Å; I294-M298 HydrophobicContact CG2-CG 4.41Å; I294-M298 HydrophobicContact CG2-SD 4.03Å; I294-M298 WeakPolarHBondContact O-CG 3.3Å; I294-M298 PolarHBondContact O-N 3.46Å; I294-L332 HydrophobicContact CD1-CD1 3.8Å; I294-L332 HydrophobicContact CG1-CD1 3.59Å; I294-L389 HydrophobicContact CD1-CD2 3.96Å; I294-L458 HydrophobicContact CG2-CD2 3.9Å
295L94.4Very high91.2Very high14 Ų1446.9 Ų46.97%0.07325%0.245CC..Hα-helixtrans-56.9-45.4178.1-79.1171000111.8E261 L264 V291 D292 V297 M298 Q299E261-L295 HydrophobicContact CG-CD2 3.81Å; L264-L295 HydrophobicContact CB-CD1 4.19Å; L264-L295 HydrophobicContact CB-CD2 3.68Å; L264-L295 HydrophobicContact CB-CG 3.83Å; L264-L295 HydrophobicContact CD1-CD2 3.77Å; L264-L295 HydrophobicContact CD1-CG 4.01Å; L264-L295 HydrophobicContact CG-CD2 4.38Å; L264-L295 HydrophobicContact CG-CG 4.46Å; V291-L295 HydrophobicContact CG1-CD1 4.19Å; V291-L295 PolarHBondContact O-N 2.98Å; D292-L295 PolarHBondContact O-N 3.26Å; L295-V297 PolarHBondContact O-N 3.16Å; L295-M298 PolarHBondContact O-N 2.96Å; L295-Q299 WeakPolarHBondContact O-CB 3.33Å; L295-Q299 VanDerWaalsContact O-CG 3.29Å; L295-Q299 WeakPolarHBondContact O-CG 3.23Å; L295-Q299 PolarHBondContact O-N 3.05Å
296R92Very high90.2Very high129 Ų12949.1 Ų49.149%0.48726%0.257SS..Hα-helixtrans-59.8-44.6176.6-76.4-171.5-56.5-91.73.3111.8D292 G293 I294 Q299 L300D292-R296 WeakPolarHBondContact O-CB 3.43Å; D292-R296 VanDerWaalsContact O-CG 3.27Å; D292-R296 WeakPolarHBondContact O-CG 3.29Å; D292-R296 PolarHBondContact O-N 2.8Å; D292-R296 PolarHBondContact O-NH1 3.12Å; G293-R296 PolarHBondContact O-N 3.47Å; I294-R296 VanDerWaalsContact C-N 3.33Å; I294-R296 PolarHBondContact O-N 3.48Å; R296-Q299 PolarHBondContact O-N 2.92Å; R296-L300 WeakPolarHBondContact O-CB 3.46Å; R296-L300 VanDerWaalsContact O-CG 3.27Å; R296-L300 WeakPolarHBondContact O-CG 3.38Å; R296-L300 PolarHBondContact O-N 3.14Å
297V90.5Very high89Confident16 Ų1655.3 Ų55.310%0.09728%0.276CS..Hα-helixtrans-62.2-43.8177.2147.90000112G293 I294 L295 Q299 T301 L326 V330G293-V297 PolarHBondContact O-N 3.15Å; G293-V297 VanDerWaalsContact O-N 3.08Å; I294-V297 PolarHBondContact O-N 2.97Å; I294-V297 VanDerWaalsContact O-N 3.17Å; L295-V297 PolarHBondContact O-N 3.16Å; V297-Q299 VanDerWaalsContact C-N 3.34Å; V297-Q299 PolarHBondContact O-N 2.82Å; V297-T301 VanDerWaalsContact O-CB 3.27Å; V297-T301 WeakPolarHBondContact O-CB 3.06Å; V297-T301 PolarHBondContact O-N 3.31Å; V297-T301 PolarHBondContact O-OG1 3.1Å; V297-L326 HydrophobicContact CB-CD1 4.48Å; V297-L326 HydrophobicContact CG1-CD1 3.69Å; V297-L326 HydrophobicContact CG1-CD2 4.44Å; V297-L326 HydrophobicContact CG1-CG 4.3Å; V297-L326 HydrophobicContact CG2-CD1 3.86Å; V297-V330 HydrophobicContact CB-CG1 3.77Å; V297-V330 HydrophobicContact CG2-CG1 3.11Å
298M92.6Very high87.5Confident1 Ų158.8 Ų58.81%0.00531%0.305CS..Hα-helixtrans-59.8-46.3177.3-67.9176.765.300110.8E261 L264 I294 L295 L302 L411 L456 L458E261-M298 HydrophobicContact CB-CE 4.25Å; L264-M298 HydrophobicContact CD1-CE 4.47Å; L264-M298 HydrophobicContact CD1-SD 3.37Å; L264-M298 WeakPolarHBondContact CD1-SD 3.27Å; I294-M298 HydrophobicContact CG2-CG 4.41Å; I294-M298 HydrophobicContact CG2-SD 4.03Å; I294-M298 WeakPolarHBondContact O-CG 3.3Å; I294-M298 PolarHBondContact O-N 3.46Å; L295-M298 PolarHBondContact O-N 2.96Å; M298-L302 PolarHBondContact O-N 2.78Å; M298-L302 VanDerWaalsContact O-N 3.11Å; M298-L411 HydrophobicContact CB-CD1 4.08Å; M298-L411 HydrophobicContact CE-CD1 4.09Å; M298-L411 HydrophobicContact CG-CD1 3.84Å; M298-L411 WeakPolarHBondContact O-CD2 3.44Å; M298-L456 HydrophobicContact CB-CD1 4.31Å; M298-L456 HydrophobicContact CE-CB 3.58Å; M298-L456 WeakPolarHBondContact CE-O 3.45Å; M298-L458 HydrophobicContact CE-CB 4.38Å; M298-L458 HydrophobicContact CG-CB 4.32Å; M298-L458 HydrophobicContact SD-CB 4.07Å
299Q90.4Very high85.7Confident103 Ų10360 Ų6048%0.48132%0.319SS..Hα-helixtrans-67.7-45.9-179.1-71.6173.2-12.500113.1L295 R296 V297 T301 L302L295-Q299 WeakPolarHBondContact O-CB 3.33Å; L295-Q299 VanDerWaalsContact O-CG 3.29Å; L295-Q299 WeakPolarHBondContact O-CG 3.23Å; L295-Q299 PolarHBondContact O-N 3.05Å; R296-Q299 PolarHBondContact O-N 2.92Å; V297-Q299 VanDerWaalsContact C-N 3.34Å; V297-Q299 PolarHBondContact O-N 2.82Å; Q299-T301 VanDerWaalsContact C-N 3.27Å; Q299-T301 PolarHBondContact O-N 3.41Å; Q299-L302 VanDerWaalsContact O-CB 3.31Å; Q299-L302 WeakPolarHBondContact O-CB 3.08Å; Q299-L302 PolarHBondContact O-N 2.82Å
300L87.9Confident83.8Confident124 Ų12466.3 Ų66.365%0.64934%0.339SS*.Hα-helixtrans-65.1-34.6179.5-70.5173.8000111.8R296 S303R296-L300 WeakPolarHBondContact O-CB 3.46Å; R296-L300 VanDerWaalsContact O-CG 3.27Å; R296-L300 WeakPolarHBondContact O-CG 3.38Å; R296-L300 PolarHBondContact O-N 3.14Å; L300-S303 PolarHBondContact O-OG 3.08Å; L300-S303 VanDerWaalsContact O-OG 3.1Å
301T89.5Confident82Confident11 Ų1171.8 Ų71.87%0.06737%0.373CS..Hα-helixtrans-80.1-18.9-179.8-500000112.9V297 Q299 S303 R304 L305 Q316 W318 L411V297-T301 VanDerWaalsContact O-CB 3.27Å; V297-T301 WeakPolarHBondContact O-CB 3.06Å; V297-T301 PolarHBondContact O-N 3.31Å; V297-T301 PolarHBondContact O-OG1 3.1Å; Q299-T301 VanDerWaalsContact C-N 3.27Å; Q299-T301 PolarHBondContact O-N 3.41Å; T301-S303 PolarHBondContact O-N 2.86Å; T301-S303 VanDerWaalsContact O-N 3.15Å; T301-R304 HydrophobicContact CG2-CB 4.37Å; T301-R304 WeakPolarHBondContact O-CA 3.26Å; T301-R304 WeakPolarHBondContact O-CB 3.38Å; T301-R304 PolarHBondContact O-N 3.34Å; T301-L305 PolarHBondContact O-N 2.92Å; T301-Q316 HydrophobicContact CG2-CB 3.8Å; T301-Q316 HydrophobicContact CG2-CG 3.7Å; T301-W318 HydrophobicContact CG2-CH2 3.62Å; T301-W318 HydrophobicContact CG2-CZ2 3.59Å; T301-L411 HydrophobicContact CG2-CD2 3.75Å
302L87.3Confident80.6Confident79 Ų7972.2 Ų72.241%0.41438%0.376SS..Hα-helixtrans-50.5-42.6177.2176.465000112.2M298 Q299 R304 L305 L456M298-L302 PolarHBondContact O-N 2.78Å; M298-L302 VanDerWaalsContact O-N 3.11Å; Q299-L302 VanDerWaalsContact O-CB 3.31Å; Q299-L302 WeakPolarHBondContact O-CB 3.08Å; Q299-L302 PolarHBondContact O-N 2.82Å; L302-R304 PolarHBondContact O-N 2.99Å; L302-L305 HydrophobicContact CD1-CD1 3.9Å; L302-L305 WeakPolarHBondContact O-CG 3.16Å; L302-L305 PolarHBondContact O-N 3.48Å; L302-L456 HydrophobicContact CB-CD1 4.22Å; L302-L456 HydrophobicContact CD1-CD1 4.2Å; L302-L456 HydrophobicContact CD1-CD2 3.73Å; L302-L456 HydrophobicContact CD1-CG 4.28Å; L302-L456 HydrophobicContact CD2-CD1 4.46Å
303S82.5Confident79.4Confident108 Ų10875.1 Ų75.176%0.75539%0.388SS*.THydrogen-bonded Turntrans-65.4-16.3177.765.90000114.6L300 T301L300-S303 PolarHBondContact O-OG 3.08Å; L300-S303 VanDerWaalsContact O-OG 3.1Å; T301-S303 PolarHBondContact O-N 2.86Å; T301-S303 VanDerWaalsContact O-N 3.15Å
304R80.7Confident78.7Confident176 Ų17676.3 Ų76.366%0.66440%0.395SS*.THydrogen-bonded Turntrans-104.91.4-176.4-58.7-178.3178.1-178.9-1.4113.2T301 L302 V306T301-R304 HydrophobicContact CG2-CB 4.37Å; T301-R304 WeakPolarHBondContact O-CA 3.26Å; T301-R304 WeakPolarHBondContact O-CB 3.38Å; T301-R304 PolarHBondContact O-N 3.34Å; L302-R304 PolarHBondContact O-N 2.99Å; R304-V306 WeakPolarHBondContact O-CG2 3.4Å; R304-V306 PolarHBondContact O-N 2.96Å
305L83Confident78.4Confident31 Ų3177.1 Ų77.116%0.16240%0.401CS..PPolyproline II helixtrans-62.3120.6179-64.7-179.1000110.1T301 L302 P314 Q316 L411 E413 L456T301-L305 PolarHBondContact O-N 2.92Å; L302-L305 HydrophobicContact CD1-CD1 3.9Å; L302-L305 WeakPolarHBondContact O-CG 3.16Å; L302-L305 PolarHBondContact O-N 3.48Å; L305-P314 HydrophobicContact CB-CB 3.6Å; L305-P314 HydrophobicContact CD1-CB 4.35Å; L305-Q316 HydrophobicContact CD2-CB 3.92Å; L305-L411 HydrophobicContact CD2-CB 4.36Å; L305-L411 HydrophobicContact CD2-CD2 4.08Å; L305-L411 HydrophobicContact CD2-CG 4.14Å; L305-E413 HydrophobicContact CD1-CB 4.13Å; L305-L456 HydrophobicContact CD1-CD2 4.27Å
306V75.2Confident78.3Confident95 Ų9578.9 Ų78.958%0.57641%0.409SS*.BIsolated β-bridgetrans-103.6142.9-178.1-173.70000109.5R304 P314 T315R304-V306 WeakPolarHBondContact O-CG2 3.4Å; R304-V306 PolarHBondContact O-N 2.96Å; V306-P314 WeakPolarHBondContact O-CA 3.35Å; V306-T315 PolarHBondContact N-O 3.15Å; V306-T315 PolarHBondContact O-N 2.9Å
307R69.1Low78.3Confident163 Ų16374.2 Ų74.262%0.61539%0.394SS*.PPolyproline II helixtrans-87.3126167.9-66.7-173.8-174.7-160.51.9109.6G309 P314R307-G309 PolarHBondContact O-N 3.43Å; R307-P314 HydrophobicContact CG-CB 4.29Å; R307-P314 HydrophobicContact CG-CG 3.84Å
308A62.6Low78.5Confident73 Ų7374.9 Ų74.960%0.60340%0.395SS*.SBendtrans-77.1-4.5172.300000113.3T312A308-T312 HydrophobicContact CB-CG2 4.32Å; A308-T312 PolarHBondContact N-OG1 3.44Å
309G58.9Low78.5Confident33 Ų3377.2 Ų77.234%0.3441%0.41SS..SBendtrans173.8174.9178.700000112R307 T311 T312R307-G309 PolarHBondContact O-N 3.43Å; G309-T311 VanDerWaalsContact C-N 3.26Å; G309-T311 PolarHBondContact O-N 3.16Å; G309-T312 PolarHBondContact N-OG1 3.31Å; G309-T312 PolarHBondContact O-N 2.95Å; G309-T312 PolarHBondContact O-OG1 2.94Å
310E53Low78.4Confident188 Ų18873.3 Ų73.388%0.87940%0.397SS*.THydrogen-bonded Turntrans-58.3-36-174.7-67179.3173.800113.2
311T55.8Low78.4Confident117 Ų11778.4 Ų78.472%0.71841%0.407SS*.THydrogen-bonded Turntrans-101-1.3-17665.90000114.3G309G309-T311 VanDerWaalsContact C-N 3.26Å; G309-T311 PolarHBondContact O-N 3.16Å
312T64.7Low78.5Confident10 Ų1082.8 Ų82.86%0.06143%0.427CS..SBendtrans-89.6137.3-177.660.50000110.6A308 G309 T690A308-T312 HydrophobicContact CB-CG2 4.32Å; A308-T312 PolarHBondContact N-OG1 3.44Å; G309-T312 PolarHBondContact N-OG1 3.31Å; G309-T312 PolarHBondContact O-N 2.95Å; G309-T312 PolarHBondContact O-OG1 2.94Å; T312-T690 HydrophobicContact CG2-CG2 4.5Å; T312-T690 WeakPolarHBondContact CG2-O 3.5Å
313Q71.3Confident78.7Confident104 Ų10479 Ų7949%0.48641%0.407SS..PPolyproline II helixtrans-58.9141.9170.2-70.7177.6-17.400110T315Q313-T315 WeakPolarHBondContact O-CG2 3.04Å; Q313-T315 PolarHBondContact O-N 2.81Å
314P77.7Confident78.9Confident24 Ų2475 Ų7516%0.15638%0.379CS..PPolyproline II helixtrans-58.6123.7171.1-2030.8000110.3L305 V306 R307L305-P314 HydrophobicContact CB-CB 3.6Å; L305-P314 HydrophobicContact CD1-CB 4.35Å; V306-P314 WeakPolarHBondContact O-CA 3.35Å; R307-P314 HydrophobicContact CG-CB 4.29Å; R307-P314 HydrophobicContact CG-CG 3.84Å
315T87.7Confident79.3Confident20 Ų2068.4 Ų68.412%0.12337%0.366CS..EExtended strand (participates in β ladder)trans-133.5153.7-179.566.90000111.1V306 Q313 L411 V412 P692V306-T315 PolarHBondContact N-O 3.15Å; V306-T315 PolarHBondContact O-N 2.9Å; Q313-T315 WeakPolarHBondContact O-CG2 3.04Å; Q313-T315 PolarHBondContact O-N 2.81Å; T315-L411 WeakPolarHBondContact CA-O 3.49Å; T315-V412 HydrophobicContact CG2-CB 4.32Å; T315-V412 HydrophobicContact CG2-CG1 3.46Å; T315-V412 VanDerWaalsContact CG2-CG1 3.46Å; T315-P692 HydrophobicContact CG2-CG 4.12Å
316Q91.5Very high79.6Confident52 Ų5267.9 Ų67.924%0.24336%0.363CS..EExtended strand (participates in β ladder)trans-123.4126.9163.2177.363.339.200107.9T301 L305 W318 V410 L411T301-Q316 HydrophobicContact CG2-CB 3.8Å; T301-Q316 HydrophobicContact CG2-CG 3.7Å; L305-Q316 HydrophobicContact CD2-CB 3.92Å; Q316-W318 HydrophobicContact CB-CH2 4.09Å; Q316-W318 HydrophobicContact CB-CZ2 4.38Å; Q316-W318 HydrophobicContact CB-CZ3 4.31Å; Q316-W318 HydrophobicContact CG-CD2 4.09Å; Q316-W318 HydrophobicContact CG-CE3 4.2Å; Q316-W318 HydrophobicContact CG-CH2 3.61Å; Q316-W318 HydrophobicContact CG-CZ2 3.43Å; Q316-W318 VanDerWaalsContact CG-CZ2 3.43Å; Q316-W318 HydrophobicContact CG-CZ3 3.98Å; Q316-V410 CarbonylContact O-C 3.57Å; Q316-V410 VanDerWaalsContact O-CA 3.29Å; Q316-V410 WeakPolarHBondContact O-CA 3.5Å; Q316-L411 HydrophobicContact CB-CB 4.45Å; Q316-L411 PolarHBondContact N-O 3.05Å; Q316-L411 PolarHBondContact O-N 2.83Å
317V92.5Very high80.2Confident31 Ų3163.5 Ų63.519%0.18834%0.336CS..EExtended strand (participates in β ladder)trans-112.3136.6-180-1790000108.8T319 R408 V410 Q696V317-T319 HydrophobicContact CG1-CG2 4.07Å; V317-R408 HydrophobicContact CG1-CB 4.38Å; V317-R408 HydrophobicContact CG1-CG 4.47Å; V317-V410 HydrophobicContact CG1-CG2 4.24Å; V317-V410 HydrophobicContact CG2-CG1 4.02Å; V317-V410 HydrophobicContact CG2-CG2 4.11Å; V317-Q696 HydrophobicContact CG1-CG 4.36Å; V317-Q696 HydrophobicContact CG2-CG 4.46Å
318W94.1Very high81Confident29 Ų2958.5 Ų58.511%0.1133%0.326CS..EExtended strand (participates in β ladder)trans-119.8141.5169.3-61.4-90.7000110.1T301 Q316 E322 I323 L326 V409 L411 L458T301-W318 HydrophobicContact CG2-CH2 3.62Å; T301-W318 HydrophobicContact CG2-CZ2 3.59Å; Q316-W318 HydrophobicContact CB-CH2 4.09Å; Q316-W318 HydrophobicContact CB-CZ2 4.38Å; Q316-W318 HydrophobicContact CB-CZ3 4.31Å; Q316-W318 HydrophobicContact CG-CD2 4.09Å; Q316-W318 HydrophobicContact CG-CE3 4.2Å; Q316-W318 HydrophobicContact CG-CH2 3.61Å; Q316-W318 HydrophobicContact CG-CZ2 3.43Å; Q316-W318 VanDerWaalsContact CG-CZ2 3.43Å; Q316-W318 HydrophobicContact CG-CZ3 3.98Å; W318-E322 HydrophobicContact CB-CB 4.14Å; W318-I323 HydrophobicContact CB-CG1 3.99Å; W318-I323 WeakPolarHBondContact O-CG1 3.35Å; W318-L326 HydrophobicContact CD2-CD2 3.66Å; W318-L326 HydrophobicContact CE3-CD2 3.88Å; W318-L326 HydrophobicContact CG-CD2 4Å; W318-L326 HydrophobicContact CH2-CD2 4.33Å; W318-L326 HydrophobicContact CZ2-CD1 4.14Å; W318-L326 HydrophobicContact CZ2-CD2 4.14Å; W318-L326 HydrophobicContact CZ3-CD2 4.22Å; W318-V409 HydrophobicContact CB-CB 4.48Å; W318-V409 HydrophobicContact CE3-CB 4.36Å; W318-V409 HydrophobicContact CE3-CG1 4.05Å; W318-V409 HydrophobicContact CZ3-CG1 4.43Å; W318-V409 PolarHBondContact N-O 3.44Å; W318-V409 PolarHBondContact O-N 2.8Å; W318-L411 HydrophobicContact CH2-CB 3.8Å; W318-L411 HydrophobicContact CH2-CD2 4.42Å; W318-L411 HydrophobicContact CZ3-CB 3.67Å; W318-L458 HydrophobicContact CZ3-CD1 4.18Å
319T93.9Very high81.9Confident51 Ų5160.6 Ų60.631%0.31333%0.332SS..EExtended strand (participates in β ladder)trans-131.5146.3-174.472.10000111.9V317 R321 E322 R408V317-T319 HydrophobicContact CG1-CG2 4.07Å; T319-R321 PolarHBondContact O-N 2.91Å; T319-R321 VanDerWaalsContact O-N 3.12Å; T319-E322 PolarHBondContact N-OE2 2.88Å; T319-E322 VanDerWaalsContact O-CB 3.26Å; T319-E322 WeakPolarHBondContact O-CB 3.46Å; T319-E322 WeakPolarHBondContact O-CG 3.48Å; T319-E322 PolarHBondContact O-N 3.43Å; T319-E322 PolarHBondContact OG1-OE2 2.82Å; T319-E322 VanDerWaalsContact OG1-OE2 3.06Å; T319-R408 VanDerWaalsContact CG2-CD 3.45Å
320G87.7Confident82.9Confident20 Ų2059.7 Ų59.721%0.20632%0.32CS..THydrogen-bonded Turntrans47-119171.400000113.7E322 I323 C324 L404G320-E322 VanDerWaalsContact C-N 3.26Å; G320-E322 PolarHBondContact O-N 3.05Å; G320-I323 VanDerWaalsContact O-CB 3.31Å; G320-I323 WeakPolarHBondContact O-CB 3.43Å; G320-I323 PolarHBondContact O-N 3.34Å; G320-I323 VanDerWaalsContact O-N 3.09Å; G320-C324 PolarHBondContact O-N 3.12Å; G320-L404 WeakPolarHBondContact O-CD2 3.31Å
321R87.1Confident84.2Confident231 Ų23151.8 Ų51.887%0.87229%0.288SS*.Hα-helixtrans-62.9-27.5-178.5-65.8-173.7-176.2-176.40.8114.1T319 I323 C324 G325T319-R321 PolarHBondContact O-N 2.91Å; T319-R321 VanDerWaalsContact O-N 3.12Å; R321-I323 PolarHBondContact O-N 3.1Å; R321-C324 PolarHBondContact O-N 2.79Å; R321-G325 PolarHBondContact O-N 2.8Å
322E92.2Very high85.4Confident103 Ų10346.3 Ų46.348%0.48126%0.255SS..Hα-helixtrans-63.7-35.2176.3-55.7170.414300110.6W318 T319 G320 G325 L326W318-E322 HydrophobicContact CB-CB 4.14Å; T319-E322 PolarHBondContact N-OE2 2.88Å; T319-E322 VanDerWaalsContact O-CB 3.26Å; T319-E322 WeakPolarHBondContact O-CB 3.46Å; T319-E322 WeakPolarHBondContact O-CG 3.48Å; T319-E322 PolarHBondContact O-N 3.43Å; T319-E322 PolarHBondContact OG1-OE2 2.82Å; T319-E322 VanDerWaalsContact OG1-OE2 3.06Å; G320-E322 VanDerWaalsContact C-N 3.26Å; G320-E322 PolarHBondContact O-N 3.05Å; E322-G325 PolarHBondContact O-N 3.45Å; E322-L326 VanDerWaalsContact O-CB 3.25Å; E322-L326 WeakPolarHBondContact O-CB 3.32Å; E322-L326 PolarHBondContact O-N 3Å
323I92.1Very high86.4Confident0 Ų045.8 Ų45.80%025%0.252CS..Hα-helixtrans-64.1-48.7174.9-59.5168.9000109.8W318 G320 R321 G325 L326 M327 M396 L404 V409W318-I323 HydrophobicContact CB-CG1 3.99Å; W318-I323 WeakPolarHBondContact O-CG1 3.35Å; G320-I323 VanDerWaalsContact O-CB 3.31Å; G320-I323 WeakPolarHBondContact O-CB 3.43Å; G320-I323 PolarHBondContact O-N 3.34Å; G320-I323 VanDerWaalsContact O-N 3.09Å; R321-I323 PolarHBondContact O-N 3.1Å; I323-G325 PolarHBondContact O-N 2.81Å; I323-L326 PolarHBondContact O-N 3.1Å; I323-M327 HydrophobicContact CG2-CG 4.02Å; I323-M327 WeakPolarHBondContact O-CB 3.4Å; I323-M327 WeakPolarHBondContact O-CG 3.32Å; I323-M327 PolarHBondContact O-N 3.39Å; I323-M396 HydrophobicContact CG2-CE 3.38Å; I323-L404 HydrophobicContact CB-CD1 4.17Å; I323-L404 HydrophobicContact CD1-CD1 4.46Å; I323-L404 HydrophobicContact CG2-CD1 4.07Å; I323-V409 HydrophobicContact CB-CG2 4.44Å; I323-V409 HydrophobicContact CD1-CG2 4.1Å; I323-V409 HydrophobicContact CG1-CB 4.27Å; I323-V409 HydrophobicContact CG1-CG2 3.98Å; I323-V409 HydrophobicContact CG2-CG2 3.65Å
324C87Confident86.9Confident23 Ų2343.1 Ų43.116%0.15524%0.243CC..Hα-helixtrans-57.6-47.7175.5-750000111.9G320 R321 L326 M327 S328 L404G320-C324 PolarHBondContact O-N 3.12Å; R321-C324 PolarHBondContact O-N 2.79Å; C324-L326 VanDerWaalsContact C-N 3.34Å; C324-L326 PolarHBondContact O-N 3.04Å; C324-M327 PolarHBondContact O-N 3.4Å; C324-S328 WeakPolarHBondContact O-CB 3.26Å; C324-S328 PolarHBondContact O-N 3.15Å; C324-S328 PolarHBondContact O-OG 3.23Å; C324-S328 VanDerWaalsContact O-OG 3.1Å; C324-L404 WeakPolarHBondContact SG-CD2 3.34Å
325G89.1Confident87.3Confident38 Ų3849.4 Ų49.439%0.39227%0.271SS..Hα-helixtrans-59.8-43.5178.100000112.6R321 E322 I323 T329R321-G325 PolarHBondContact O-N 2.8Å; E322-G325 PolarHBondContact O-N 3.45Å; I323-G325 PolarHBondContact O-N 2.81Å; G325-T329 WeakPolarHBondContact O-CB 3.49Å; G325-T329 PolarHBondContact O-N 3.23Å; G325-T329 PolarHBondContact O-OG1 3.43Å
326L87.9Confident87.3Confident20 Ų2051.4 Ų51.411%0.10528%0.278CS..Hα-helixtrans-60.9-51.1175.6-177.470.6000111.3V297 W318 E322 I323 C324 T329 V330 V409V297-L326 HydrophobicContact CB-CD1 4.48Å; V297-L326 HydrophobicContact CG1-CD1 3.69Å; V297-L326 HydrophobicContact CG1-CD2 4.44Å; V297-L326 HydrophobicContact CG1-CG 4.3Å; V297-L326 HydrophobicContact CG2-CD1 3.86Å; W318-L326 HydrophobicContact CD2-CD2 3.66Å; W318-L326 HydrophobicContact CE3-CD2 3.88Å; W318-L326 HydrophobicContact CG-CD2 4Å; W318-L326 HydrophobicContact CH2-CD2 4.33Å; W318-L326 HydrophobicContact CZ2-CD1 4.14Å; W318-L326 HydrophobicContact CZ2-CD2 4.14Å; W318-L326 HydrophobicContact CZ3-CD2 4.22Å; E322-L326 VanDerWaalsContact O-CB 3.25Å; E322-L326 WeakPolarHBondContact O-CB 3.32Å; E322-L326 PolarHBondContact O-N 3Å; I323-L326 PolarHBondContact O-N 3.1Å; C324-L326 VanDerWaalsContact C-N 3.34Å; C324-L326 PolarHBondContact O-N 3.04Å; L326-T329 WeakPolarHBondContact O-CB 3.38Å; L326-T329 PolarHBondContact O-N 3.28Å; L326-V330 PolarHBondContact O-N 2.85Å; L326-V409 HydrophobicContact CD2-CG1 4.26Å
327M87.6Confident87.1Confident4 Ų449.7 Ų49.72%0.0227%0.271CS..Hα-helixtrans-64.3-46.2-177.4-66.8-64.2145.400110.6I323 C324 T329 V330 G331 L332 G333 L393 F397 V409 F460I323-M327 HydrophobicContact CG2-CG 4.02Å; I323-M327 WeakPolarHBondContact O-CB 3.4Å; I323-M327 WeakPolarHBondContact O-CG 3.32Å; I323-M327 PolarHBondContact O-N 3.39Å; C324-M327 PolarHBondContact O-N 3.4Å; M327-T329 VanDerWaalsContact C-N 3.28Å; M327-T329 PolarHBondContact O-N 3.04Å; M327-V330 CarbonylContact O-C 3.55Å; M327-V330 WeakPolarHBondContact O-CG2 3.39Å; M327-V330 PolarHBondContact O-N 3.01Å; M327-V330 VanDerWaalsContact O-N 3.07Å; M327-G331 PolarHBondContact O-N 3.14Å; M327-G331 VanDerWaalsContact O-N 3.17Å; M327-L332 HydrophobicContact CB-CB 3.89Å; M327-L332 HydrophobicContact CG-CB 4.43Å; M327-L332 CarbonylContact O-C 3.52Å; M327-L332 WeakPolarHBondContact O-CA 3.5Å; M327-L332 PolarHBondContact O-N 2.95Å; M327-L332 HydrophobicContact SD-CB 3.87Å; M327-L332 HydrophobicContact SD-CD1 3.64Å; M327-L332 HydrophobicContact SD-CG 4.44Å; M327-G333 PolarHBondContact O-N 2.98Å; M327-L393 HydrophobicContact SD-CD2 4.28Å; M327-F397 HydrophobicContact CB-CZ 4.19Å; M327-F397 HydrophobicContact CG-CZ 4.21Å; M327-V409 HydrophobicContact CE-CG1 3.97Å; M327-V409 HydrophobicContact CE-CG2 4.08Å; M327-F460 HydrophobicContact CE-CE1 3.8Å; M327-F460 HydrophobicContact CE-CZ 4.02Å; M327-F460 HydrophobicContact SD-CE1 4.46Å
328S87.4Confident86.9Confident58 Ų5854.3 Ų54.341%0.40629%0.293SS..Hα-helixtrans-58.2-37.7174-66.80000112.7C324 V330 G331C324-S328 WeakPolarHBondContact O-CB 3.26Å; C324-S328 PolarHBondContact O-N 3.15Å; C324-S328 PolarHBondContact O-OG 3.23Å; C324-S328 VanDerWaalsContact O-OG 3.1Å; S328-V330 PolarHBondContact O-N 3.31Å; S328-G331 PolarHBondContact O-N 3.38Å
329T81.5Confident86.8Confident117 Ų11758.6 Ų58.672%0.71831%0.314SS*.Hα-helixtrans-62.6-29.1177.6-57.90000112.7G325 L326 M327G325-T329 WeakPolarHBondContact O-CB 3.49Å; G325-T329 PolarHBondContact O-N 3.23Å; G325-T329 PolarHBondContact O-OG1 3.43Å; L326-T329 WeakPolarHBondContact O-CB 3.38Å; L326-T329 PolarHBondContact O-N 3.28Å; M327-T329 VanDerWaalsContact C-N 3.28Å; M327-T329 PolarHBondContact O-N 3.04Å
330V79Confident86.8Confident14 Ų1456.8 Ų56.89%0.08530%0.302CS..THydrogen-bonded Turntrans-99.19.7176.6-620000113.3G293 V297 L326 M327 S328 L332G293-V330 WeakPolarHBondContact O-CG1 3.42Å; V297-V330 HydrophobicContact CB-CG1 3.77Å; V297-V330 HydrophobicContact CG2-CG1 3.11Å; L326-V330 PolarHBondContact O-N 2.85Å; M327-V330 CarbonylContact O-C 3.55Å; M327-V330 WeakPolarHBondContact O-CG2 3.39Å; M327-V330 PolarHBondContact O-N 3.01Å; M327-V330 VanDerWaalsContact O-N 3.07Å; S328-V330 PolarHBondContact O-N 3.31Å; V330-L332 VanDerWaalsContact C-N 3.27Å; V330-L332 HydrophobicContact CG2-CB 3.89Å; V330-L332 HydrophobicContact CG2-CD1 3.7Å; V330-L332 HydrophobicContact CG2-CG 3.71Å; V330-L332 PolarHBondContact O-N 3.03Å
331G80.1Confident87Confident21 Ų2157 Ų5722%0.21630%0.3CS..THydrogen-bonded Turntrans71.118.4-176.300000113.8M327 S328 Q336 Q340M327-G331 PolarHBondContact O-N 3.14Å; M327-G331 VanDerWaalsContact O-N 3.17Å; S328-G331 PolarHBondContact O-N 3.38Å; G331-Q336 WeakPolarHBondContact O-CB 3.38Å; G331-Q340 VanDerWaalsContact O-CD 3.28Å; G331-Q340 PolarHBondContact O-NE2 3.36Å; G331-Q340 PolarHBondContact O-OE1 3.43Å
332L81.1Confident87.4Confident2 Ų249.3 Ų49.31%0.0128%0.282CS..  trans-97.816.9173.7-68.6179.6000113M290 I294 M327 V330 L393 F397M290-L332 HydrophobicContact CE-CD2 3.22Å; M290-L332 HydrophobicContact CG-CD2 3.38Å; M290-L332 HydrophobicContact CG-CG 4.33Å; M290-L332 HydrophobicContact SD-CD2 3.85Å; I294-L332 HydrophobicContact CD1-CD1 3.8Å; I294-L332 HydrophobicContact CG1-CD1 3.59Å; M327-L332 HydrophobicContact CB-CB 3.89Å; M327-L332 HydrophobicContact CG-CB 4.43Å; M327-L332 CarbonylContact O-C 3.52Å; M327-L332 WeakPolarHBondContact O-CA 3.5Å; M327-L332 PolarHBondContact O-N 2.95Å; M327-L332 HydrophobicContact SD-CB 3.87Å; M327-L332 HydrophobicContact SD-CD1 3.64Å; M327-L332 HydrophobicContact SD-CG 4.44Å; V330-L332 VanDerWaalsContact C-N 3.27Å; V330-L332 HydrophobicContact CG2-CB 3.89Å; V330-L332 HydrophobicContact CG2-CD1 3.7Å; V330-L332 HydrophobicContact CG2-CG 3.71Å; V330-L332 PolarHBondContact O-N 3.03Å; L332-L393 HydrophobicContact CD2-CD1 4.29Å; L332-F397 VanDerWaalsContact O-CE2 3.31Å; L332-F397 WeakPolarHBondContact O-CE2 3.36Å
333G85.1Confident87.5Confident0 Ų045 Ų450%026%0.264CS..SBendtrans-66.6165.717800000112.1M327 E335 Q336 M337M327-G333 PolarHBondContact O-N 2.98Å; G333-E335 PolarHBondContact O-N 3.19Å; G333-E335 VanDerWaalsContact O-N 3.16Å; G333-Q336 VanDerWaalsContact CA-OE1 3.25Å; G333-Q336 PolarHBondContact O-N 3.5Å; G333-M337 WeakPolarHBondContact O-CB 3.22Å; G333-M337 PolarHBondContact O-N 3.49Å
334P83.2Confident87.6Confident48 Ų4845.5 Ų45.531%0.31227%0.266SS..Hα-helixtrans-53.5-35.8178.9-26.633.9000114.1F397 M401P334-F397 HydrophobicContact CB-CG 4.49Å; P334-F397 HydrophobicContact CG-CB 4.42Å; P334-F397 HydrophobicContact CG-CD1 4.08Å; P334-F397 HydrophobicContact CG-CD2 4.21Å; P334-F397 HydrophobicContact CG-CE1 4.4Å; P334-F397 HydrophobicContact CG-CG 4Å; P334-M401 HydrophobicContact CG-SD 4.19Å
335E85Confident88Confident156 Ų15650 Ų5073%0.72929%0.285SS*.Hα-helixtrans-71.5-47.5179-65.3176.8178.700111.9G333 M337 I338G333-E335 PolarHBondContact O-N 3.19Å; G333-E335 VanDerWaalsContact O-N 3.16Å; E335-M337 VanDerWaalsContact C-N 3.3Å; E335-M337 PolarHBondContact O-N 2.97Å; E335-I338 PolarHBondContact O-N 2.87Å
336Q87.3Confident88.1Confident61 Ų6152.9 Ų52.929%0.28529%0.286SS..Hα-helixtrans-72.1-25.5-178.2-63.578.720.200112.6G331 G333 I338 E339 Q340G331-Q336 WeakPolarHBondContact O-CB 3.38Å; G333-Q336 VanDerWaalsContact CA-OE1 3.25Å; G333-Q336 PolarHBondContact O-N 3.5Å; Q336-I338 PolarHBondContact O-N 3.23Å; Q336-E339 PolarHBondContact O-N 3.01Å; Q336-Q340 WeakPolarHBondContact O-CG 3.45Å; Q336-Q340 PolarHBondContact O-N 3.4Å
337M88.4Confident88.3Confident17 Ų1752 Ų528%0.08428%0.282CS..Hα-helixtrans-56.6-34.2175.4175.1-169.2-95.400112G333 E335 Q340 S341 L393 N394 F397G333-M337 WeakPolarHBondContact O-CB 3.22Å; G333-M337 PolarHBondContact O-N 3.49Å; E335-M337 VanDerWaalsContact C-N 3.3Å; E335-M337 PolarHBondContact O-N 2.97Å; M337-Q340 PolarHBondContact O-N 3.22Å; M337-S341 WeakPolarHBondContact O-CB 3.38Å; M337-S341 PolarHBondContact O-N 3.47Å; M337-L393 HydrophobicContact CE-CB 3.05Å; M337-L393 HydrophobicContact CE-CD1 4.09Å; M337-L393 HydrophobicContact CE-CG 4.17Å; M337-N394 PolarHBondContact SD-OD1 3.48Å; M337-F397 HydrophobicContact CE-CD2 3.48Å; M337-F397 VanDerWaalsContact CE-CD2 3.48Å; M337-F397 HydrophobicContact CE-CE2 4Å; M337-F397 HydrophobicContact SD-CD2 4.12Å
338I89.2Confident88.4Confident128 Ų12852.7 Ų52.766%0.65629%0.287SS*.Hα-helixtrans-61.8-48.5179.6-60.3172.8000110E335 Q336 S342E335-I338 PolarHBondContact O-N 2.87Å; Q336-I338 PolarHBondContact O-N 3.23Å; I338-S342 VanDerWaalsContact O-CB 3.31Å; I338-S342 WeakPolarHBondContact O-CB 3.36Å; I338-S342 PolarHBondContact O-N 2.93Å
339E91.9Very high88.5Confident119 Ų11952.4 Ų52.456%0.55629%0.288SS*.Hα-helixtrans-62.6-47.1177.9-171.8-169.3161.900111.3T286 Q336 S342 A343T286-E339 HydrophobicContact CG2-CG 4.26Å; Q336-E339 PolarHBondContact O-N 3.01Å; E339-S342 PolarHBondContact O-N 2.76Å; E339-A343 WeakPolarHBondContact O-CB 3.49Å; E339-A343 PolarHBondContact O-N 2.75Å
340Q92.7Very high88.8Confident12 Ų1247.8 Ų47.86%0.05626%0.261CS..Hα-helixtrans-66.3-42.6-178.9-70167.9-18.100112.7T286 M290 G331 Q336 M337 S342 A343 Y344 F390T286-Q340 HydrophobicContact CG2-CG 4.08Å; M290-Q340 HydrophobicContact SD-CB 4.09Å; M290-Q340 HydrophobicContact SD-CG 4.01Å; G331-Q340 VanDerWaalsContact O-CD 3.28Å; G331-Q340 PolarHBondContact O-NE2 3.36Å; G331-Q340 PolarHBondContact O-OE1 3.43Å; Q336-Q340 WeakPolarHBondContact O-CG 3.45Å; Q336-Q340 PolarHBondContact O-N 3.4Å; M337-Q340 PolarHBondContact O-N 3.22Å; Q340-S342 VanDerWaalsContact C-N 3.31Å; Q340-A343 PolarHBondContact O-N 3.47Å; Q340-Y344 WeakPolarHBondContact O-CB 3.08Å; Q340-Y344 PolarHBondContact O-N 3.39Å; Q340-F390 HydrophobicContact CB-CE1 3.96Å; Q340-F390 HydrophobicContact CB-CZ 3.99Å
341S92.4Very high89Confident24 Ų2447.5 Ų47.517%0.16826%0.259CS..Hα-helixtrans-64-40.3175.6-177.10000110.3M337 Y344 Q345M337-S341 WeakPolarHBondContact O-CB 3.38Å; M337-S341 PolarHBondContact O-N 3.47Å; S341-Y344 PolarHBondContact O-N 2.77Å; S341-Q345 WeakPolarHBondContact O-CB 3.43Å; S341-Q345 WeakPolarHBondContact O-CG 3.32Å; S341-Q345 PolarHBondContact O-N 3.34Å
342S94.7Very high88.9Confident71 Ų7152.3 Ų52.350%0.49728%0.277SS..Hα-helixtrans-64.2-45.5174.9-175.70000111.8I338 E339 Q340 Y344 Q345 K346I338-S342 VanDerWaalsContact O-CB 3.31Å; I338-S342 WeakPolarHBondContact O-CB 3.36Å; I338-S342 PolarHBondContact O-N 2.93Å; E339-S342 PolarHBondContact O-N 2.76Å; Q340-S342 VanDerWaalsContact C-N 3.31Å; S342-Y344 VanDerWaalsContact C-N 3.34Å; S342-Y344 PolarHBondContact O-N 2.68Å; S342-Q345 PolarHBondContact O-N 2.91Å; S342-K346 WeakPolarHBondContact O-CB 3.22Å; S342-K346 PolarHBondContact O-N 2.87Å
343A95Very high88.8Confident11 Ų1155.6 Ų55.69%0.09129%0.294CS..Hα-helixtrans-58.9-45.9175.900000111.3A283 T286 L287 E339 Q340 K346 L347A283-A343 HydrophobicContact CB-CB 4.06Å; T286-A343 HydrophobicContact CG2-CB 4.08Å; L287-A343 HydrophobicContact CG-CB 4.46Å; E339-A343 WeakPolarHBondContact O-CB 3.49Å; E339-A343 PolarHBondContact O-N 2.75Å; Q340-A343 PolarHBondContact O-N 3.47Å; A343-K346 PolarHBondContact O-N 3.08Å; A343-L347 WeakPolarHBondContact O-CB 3.49Å; A343-L347 PolarHBondContact O-N 2.99Å
344Y94.9Very high87.9Confident11 Ų1157.7 Ų57.74%0.04331%0.306CS..Hα-helixtrans-66.3-42.7177175.4-106.5000112.9L287 Q340 S341 S342 K346 L347 S348 L383 F386 N387 F390L287-Y344 HydrophobicContact CD1-CD2 4.3Å; Q340-Y344 WeakPolarHBondContact O-CB 3.08Å; Q340-Y344 PolarHBondContact O-N 3.39Å; S341-Y344 PolarHBondContact O-N 2.77Å; S342-Y344 VanDerWaalsContact C-N 3.34Å; S342-Y344 PolarHBondContact O-N 2.68Å; Y344-K346 PolarHBondContact O-N 2.87Å; Y344-L347 PolarHBondContact O-N 2.89Å; Y344-S348 VanDerWaalsContact O-CB 3.24Å; Y344-S348 WeakPolarHBondContact O-CB 3.41Å; Y344-S348 PolarHBondContact O-N 3.14Å; Y344-S348 PolarHBondContact O-OG 3.08Å; Y344-S348 VanDerWaalsContact O-OG 3.06Å; Y344-L383 HydrophobicContact CE2-CD2 3.86Å; Y344-L383 PolarHBondContact OH-O 3.48Å; Y344-F386 HydrophobicContact CD2-CB 3.56Å; Y344-F386 HydrophobicContact CD2-CD2 4.23Å; Y344-F386 AromaticContact CD2-CG 3.88Å; Y344-F386 HydrophobicContact CD2-CG 3.88Å; Y344-F386 HydrophobicContact CE1-CB 4.31Å; Y344-F386 HydrophobicContact CE2-CB 3.32Å; Y344-F386 HydrophobicContact CE2-CD2 4.21Å; Y344-F386 AromaticContact CE2-CG 3.99Å; Y344-F386 HydrophobicContact CE2-CG 3.99Å; Y344-F386 HydrophobicContact CG-CB 4.17Å; Y344-N387 WeakPolarHBondContact CE1-OD1 3.25Å; Y344-N387 PolarHBondContact OH-ND2 3.02Å; Y344-N387 PolarHBondContact OH-OD1 2.74Å; Y344-F390 AromaticContact CD1-CD2 3.78Å; Y344-F390 HydrophobicContact CD1-CD2 3.78Å; Y344-F390 AromaticContact CD1-CE2 3.75Å; Y344-F390 HydrophobicContact CD1-CE2 3.75Å; Y344-F390 HydrophobicContact CD2-CE2 4.34Å; Y344-F390 HydrophobicContact CE1-CD2 4.35Å; Y344-F390 HydrophobicContact CG-CD2 4.1Å; Y344-F390 AromaticContact CG-CE2 3.59Å; Y344-F390 HydrophobicContact CG-CE2 3.59Å
345Q93.5Very high87.1Confident119 Ų11963.1 Ų63.156%0.55633%0.327SS*.Hα-helixtrans-59.7-46.7175.8-77.9171.81.300111.1S341 S342 S348 A349S341-Q345 WeakPolarHBondContact O-CB 3.43Å; S341-Q345 WeakPolarHBondContact O-CG 3.32Å; S341-Q345 PolarHBondContact O-N 3.34Å; S342-Q345 PolarHBondContact O-N 2.91Å; Q345-S348 PolarHBondContact O-N 2.92Å; Q345-S348 PolarHBondContact O-OG 2.93Å; Q345-A349 VanDerWaalsContact O-CB 3.32Å; Q345-A349 WeakPolarHBondContact O-CB 3.43Å; Q345-A349 PolarHBondContact O-N 2.8Å
346K93Very high86.2Confident97 Ų9759.8 Ų59.842%0.42231%0.314SS..Hα-helixtrans-57.5-53.3174.8-169.9-170.1-172.4-157.10111.1E280 S342 A343 Y344 S348 A349 S350E280-K346 WeakPolarHBondContact OE1-CE 3.35Å; E280-K346 IonicContact OE1-NZ 3.37Å; E280-K346 WeakPolarHBondContact OE2-CE 3.12Å; E280-K346 IonicContact OE2-NZ 3.9Å; E280-K346 PolarHBondContact OE2-NZ 3.02Å; S342-K346 WeakPolarHBondContact O-CB 3.22Å; S342-K346 PolarHBondContact O-N 2.87Å; A343-K346 PolarHBondContact O-N 3.08Å; Y344-K346 PolarHBondContact O-N 2.87Å; K346-S348 PolarHBondContact O-N 2.89Å; K346-A349 PolarHBondContact O-N 3.17Å; K346-S350 PolarHBondContact O-N 3.12Å; K346-S350 PolarHBondContact O-OG 3.37Å; K346-S350 VanDerWaalsContact O-OG 3.11Å
347L91.4Very high85.3Confident3 Ų357 Ų572%0.01630%0.301CS..Hα-helixtrans-59-48.5-179.6179.863.9000111.6L271 L274 F279 E280 A283 L287 A343 Y344 A349 S350 I351L271-L347 HydrophobicContact CD2-CD2 3.55Å; L274-L347 HydrophobicContact CD1-CD1 4.34Å; F279-L347 HydrophobicContact CD1-CD1 3.99Å; F279-L347 HydrophobicContact CE1-CD1 3.87Å; E280-L347 HydrophobicContact CB-CD1 3.94Å; E280-L347 HydrophobicContact CG-CD1 4.4Å; A283-L347 HydrophobicContact CB-CB 4.29Å; L287-L347 HydrophobicContact CD1-CD2 3.65Å; A343-L347 WeakPolarHBondContact O-CB 3.49Å; A343-L347 PolarHBondContact O-N 2.99Å; Y344-L347 PolarHBondContact O-N 2.89Å; L347-A349 PolarHBondContact O-N 3.03Å; L347-S350 PolarHBondContact O-N 3.16Å; L347-I351 HydrophobicContact CD1-CD1 3.93Å; L347-I351 HydrophobicContact CD1-CG1 4.36Å; L347-I351 HydrophobicContact CD2-CD1 4.45Å; L347-I351 HydrophobicContact CG-CD1 3.69Å; L347-I351 VanDerWaalsContact O-CD1 3.27Å; L347-I351 WeakPolarHBondContact O-CD1 3.37Å; L347-I351 WeakPolarHBondContact O-CG1 3.35Å; L347-I351 PolarHBondContact O-N 3.06Å
348S90.6Very high84.2Confident17 Ų1758.1 Ų58.112%0.11931%0.306CS..Hα-helixtrans-62.9-39.7-179.7700000112.5Y344 Q345 K346 I351 M352Y344-S348 VanDerWaalsContact O-CB 3.24Å; Y344-S348 WeakPolarHBondContact O-CB 3.41Å; Y344-S348 PolarHBondContact O-N 3.14Å; Y344-S348 PolarHBondContact O-OG 3.08Å; Y344-S348 VanDerWaalsContact O-OG 3.06Å; Q345-S348 PolarHBondContact O-N 2.92Å; Q345-S348 PolarHBondContact O-OG 2.93Å; K346-S348 PolarHBondContact O-N 2.89Å; S348-I351 PolarHBondContact O-N 2.78Å; S348-M352 WeakPolarHBondContact O-CB 3.42Å; S348-M352 WeakPolarHBondContact O-CE 3.39Å; S348-M352 VanDerWaalsContact O-CG 3.29Å; S348-M352 WeakPolarHBondContact O-CG 3.48Å; S348-M352 PolarHBondContact O-N 2.89Å
349A89.2Confident83.1Confident53 Ų5355.9 Ų55.944%0.43830%0.295SS..Hα-helixtrans-64.7-46.9175.200000111.4Q345 K346 L347 I351 M352 D353Q345-A349 VanDerWaalsContact O-CB 3.32Å; Q345-A349 WeakPolarHBondContact O-CB 3.43Å; Q345-A349 PolarHBondContact O-N 2.8Å; K346-A349 PolarHBondContact O-N 3.17Å; L347-A349 PolarHBondContact O-N 3.03Å; A349-I351 VanDerWaalsContact C-N 3.27Å; A349-I351 PolarHBondContact O-N 3.4Å; A349-M352 PolarHBondContact O-N 2.91Å; A349-D353 PolarHBondContact O-N 2.92Å
350S86.3Confident82Confident19 Ų1952.9 Ų52.913%0.13328%0.279CS..Hα-helixtrans-62.5-32.2177.1-58.50000112.5E280 K346 L347E280-S350 PolarHBondContact OE1-OG 2.66Å; K346-S350 PolarHBondContact O-N 3.12Å; K346-S350 PolarHBondContact O-OG 3.37Å; K346-S350 VanDerWaalsContact O-OG 3.11Å; L347-S350 PolarHBondContact O-N 3.16Å
351I83.5Confident80.8Confident9 Ų953.8 Ų53.85%0.04628%0.282CS..Hα-helixtrans-73.4-38.4174.9-66.8155.7000111.8L156 F279 L347 S348 A349 D353 P378 L383L156-I351 HydrophobicContact CD2-CG2 4.23Å; F279-I351 HydrophobicContact CE1-CG1 3.89Å; F279-I351 HydrophobicContact CZ-CG1 4.45Å; L347-I351 HydrophobicContact CD1-CD1 3.93Å; L347-I351 HydrophobicContact CD1-CG1 4.36Å; L347-I351 HydrophobicContact CD2-CD1 4.45Å; L347-I351 HydrophobicContact CG-CD1 3.69Å; L347-I351 VanDerWaalsContact O-CD1 3.27Å; L347-I351 WeakPolarHBondContact O-CD1 3.37Å; L347-I351 WeakPolarHBondContact O-CG1 3.35Å; L347-I351 PolarHBondContact O-N 3.06Å; S348-I351 PolarHBondContact O-N 2.78Å; A349-I351 VanDerWaalsContact C-N 3.27Å; A349-I351 PolarHBondContact O-N 3.4Å; I351-D353 VanDerWaalsContact C-N 3.29Å; I351-P378 HydrophobicContact CD1-CB 4.46Å; I351-P378 HydrophobicContact CD1-CG 3.34Å; I351-P378 HydrophobicContact CG1-CG 3.88Å; I351-P378 HydrophobicContact CG2-CG 4.17Å; I351-L383 HydrophobicContact CD1-CD2 3.91Å; I351-L383 HydrophobicContact CG2-CD1 4.27Å
352M79.5Confident79.6Confident122 Ų12260 Ų6060%0.60130%0.302SS*.Hα-helixtrans-74-21.3-179.7-72.3-174.1-65.400112.8L156 S348 A349 N354L156-M352 HydrophobicContact CD2-CG 4.41Å; S348-M352 WeakPolarHBondContact O-CB 3.42Å; S348-M352 WeakPolarHBondContact O-CE 3.39Å; S348-M352 VanDerWaalsContact O-CG 3.29Å; S348-M352 WeakPolarHBondContact O-CG 3.48Å; S348-M352 PolarHBondContact O-N 2.89Å; A349-M352 PolarHBondContact O-N 2.91Å; M352-N354 PolarHBondContact O-N 3.46Å; M352-N354 VanDerWaalsContact O-N 3.1Å
353D78.6Confident78.2Confident70 Ų7062.1 Ų62.137%0.37431%0.308SS..  trans-78.882171.9-172.5-3.5000111A349 I351 E355 N356 Y357A349-D353 PolarHBondContact O-N 2.92Å; I351-D353 VanDerWaalsContact C-N 3.29Å; D353-E355 VanDerWaalsContact C-N 3.28Å; D353-E355 PolarHBondContact O-N 3.21Å; D353-N356 HydrophobicContact CB-CB 4.1Å; D353-N356 PolarHBondContact O-N 3.28Å; D353-N356 PolarHBondContact OD1-N 3.01Å; D353-N356 WeakPolarHBondContact OD2-CB 3.24Å; D353-Y357 PolarHBondContact O-N 2.88Å
354N65.9Low76.8Confident44 Ų4468.9 Ų68.924%0.23533%0.331CS..Hα-helixtrans-58.4-36.3-177.5-79.1-11.8000113.4L155 L156 M352 E358L155-N354 PolarHBondContact O-ND2 3.01Å; L156-N354 PolarHBondContact O-OD1 2.91Å; M352-N354 PolarHBondContact O-N 3.46Å; M352-N354 VanDerWaalsContact O-N 3.1Å; N354-E358 WeakPolarHBondContact O-CB 3.44Å; N354-E358 WeakPolarHBondContact O-CG 3.41Å; N354-E358 PolarHBondContact O-N 3.41Å
355E66.8Low75.4Confident162 Ų16270.9 Ų70.976%0.75734%0.342SS*.Hα-helixtrans-63.2-49.1-179.8-68.4-175172.600109.7D353 D359D353-E355 VanDerWaalsContact C-N 3.28Å; D353-E355 PolarHBondContact O-N 3.21Å; E355-D359 VanDerWaalsContact O-CB 3.28Å; E355-D359 WeakPolarHBondContact O-CB 3.06Å; E355-D359 PolarHBondContact O-N 3.05Å
356N65.1Low73.7Confident87 Ų8774.5 Ų74.547%0.46535%0.351SS..Hα-helixtrans-66.3-41.5178.5-168.15.5000112.4D353 W360D353-N356 HydrophobicContact CB-CB 4.1Å; D353-N356 PolarHBondContact O-N 3.28Å; D353-N356 PolarHBondContact OD1-N 3.01Å; D353-N356 WeakPolarHBondContact OD2-CB 3.24Å; N356-W360 WeakPolarHBondContact O-CB 3.37Å; N356-W360 PolarHBondContact O-N 2.81Å
357Y68Low72.1Confident3 Ų377.3 Ų77.31%0.01237%0.37CS..Hα-helixtrans-65.9-47.8179.4-176.3-85.1000113F279 D353 W360 Y361 P376 K377F279-Y357 HydrophobicContact CD2-CD2 4.03Å; F279-Y357 HydrophobicContact CD2-CE2 4.07Å; F279-Y357 HydrophobicContact CE1-CD2 4.27Å; F279-Y357 HydrophobicContact CE1-CE2 4.39Å; F279-Y357 AromaticContact CE2-CD2 3.46Å; F279-Y357 HydrophobicContact CE2-CD2 3.46Å; F279-Y357 VanDerWaalsContact CE2-CD2 3.46Å; F279-Y357 AromaticContact CE2-CE2 3.94Å; F279-Y357 HydrophobicContact CE2-CE2 3.94Å; F279-Y357 HydrophobicContact CE2-CG 4.49Å; F279-Y357 HydrophobicContact CG-CE2 4.35Å; F279-Y357 AromaticContact CZ-CD2 3.58Å; F279-Y357 HydrophobicContact CZ-CD2 3.58Å; F279-Y357 HydrophobicContact CZ-CE2 4.1Å; D353-Y357 PolarHBondContact O-N 2.88Å; Y357-W360 PolarHBondContact O-N 2.82Å; Y357-Y361 PolarHBondContact O-N 3.42Å; Y357-P376 PolarHBondContact OH-O 2.93Å; Y357-K377 HydrophobicContact CE1-CD 4.03Å; Y357-K377 HydrophobicContact CE1-CG 3.66Å; Y357-K377 WeakPolarHBondContact OH-CG 3.44Å
358E67.1Low70.3Confident40 Ų4081.8 Ų81.819%0.18739%0.394CS..Hα-helixtrans-67.2-42.7179.9-72.5-67.8152.600111.4N354 Y361 R362 K377N354-E358 WeakPolarHBondContact O-CB 3.44Å; N354-E358 WeakPolarHBondContact O-CG 3.41Å; N354-E358 PolarHBondContact O-N 3.41Å; E358-Y361 PolarHBondContact O-N 3.14Å; E358-R362 WeakPolarHBondContact O-CB 3.48Å; E358-R362 VanDerWaalsContact O-CG 3.32Å; E358-R362 WeakPolarHBondContact O-CG 3.4Å; E358-R362 PolarHBondContact O-N 3.41Å; E358-K377 IonicContact OE1-NZ 3.7Å; E358-K377 PolarHBondContact OE1-NZ 3.34Å
359D65.8Low68.5Low81 Ų8186.8 Ų86.843%0.43343%0.429SS..Hα-helixtrans-65.5-39.2175.9-80-8.9000111.8E355 R362 N363E355-D359 VanDerWaalsContact O-CB 3.28Å; E355-D359 WeakPolarHBondContact O-CB 3.06Å; E355-D359 PolarHBondContact O-N 3.05Å; D359-R362 IonicContact OD1-NH1 2.78Å; D359-N363 VanDerWaalsContact O-CB 3.23Å; D359-N363 WeakPolarHBondContact O-CB 3.22Å; D359-N363 VanDerWaalsContact O-CG 3.27Å; D359-N363 PolarHBondContact O-N 2.94Å; D359-N363 PolarHBondContact O-ND2 3.49Å; D359-N363 VanDerWaalsContact O-ND2 3.14Å
360W68.5Low66.4Low55 Ų5589.2 Ų89.221%0.20844%0.443CS..Hα-helixtrans-58.3-48.9172.117291.7000111.7V277 F279 N356 Y357 N363 R364V277-W360 HydrophobicContact CB-CH2 3.9Å; V277-W360 HydrophobicContact CG2-CH2 3.56Å; V277-W360 HydrophobicContact CG2-CZ2 4.44Å; V277-W360 HydrophobicContact CG2-CZ3 4.34Å; V277-W360 WeakPolarHBondContact O-CZ2 3.43Å; F279-W360 HydrophobicContact CB-CH2 3.72Å; F279-W360 HydrophobicContact CB-CZ2 3.76Å; F279-W360 HydrophobicContact CB-CZ3 4.21Å; F279-W360 AromaticContact CD2-CD2 3.75Å; F279-W360 HydrophobicContact CD2-CD2 3.75Å; F279-W360 AromaticContact CD2-CE2 3.87Å; F279-W360 AromaticContact CD2-CE3 3.77Å; F279-W360 HydrophobicContact CD2-CE3 3.77Å; F279-W360 HydrophobicContact CD2-CG 4.35Å; F279-W360 HydrophobicContact CD2-CH2 4.2Å; F279-W360 HydrophobicContact CD2-CZ2 4.12Å; F279-W360 HydrophobicContact CD2-CZ3 4.01Å; F279-W360 HydrophobicContact CE2-CD2 4.4Å; F279-W360 HydrophobicContact CE2-CE3 4.43Å; F279-W360 HydrophobicContact CG-CH2 4.43Å; F279-W360 HydrophobicContact CG-CZ2 4.47Å; F279-W360 HydrophobicContact CG-CZ3 4.49Å; N356-W360 WeakPolarHBondContact O-CB 3.37Å; N356-W360 PolarHBondContact O-N 2.81Å; Y357-W360 PolarHBondContact O-N 2.82Å; W360-N363 PolarHBondContact O-N 3.1Å; W360-R364 WeakPolarHBondContact O-CB 3.26Å; W360-R364 PolarHBondContact O-N 2.82Å
361Y67.2Low64.3Low32 Ų3293.6 Ų93.613%0.12547%0.465CS..Hα-helixtrans-65.9-42.8-179.1-173.3-97.6000111.9Y357 E358 R364 N365 Q373 Q375Y357-Y361 PolarHBondContact O-N 3.42Å; E358-Y361 PolarHBondContact O-N 3.14Å; Y361-R364 PolarHBondContact O-N 3.41Å; Y361-N365 VanDerWaalsContact CE1-ND2 3.3Å; Y361-N365 WeakPolarHBondContact CE1-ND2 3.34Å; Y361-N365 WeakPolarHBondContact CE2-ND2 3.4Å; Y361-N365 PolarHBondContact O-N 3.19Å; Y361-N365 VanDerWaalsContact O-N 3.11Å; Y361-N365 PolarHBondContact O-ND2 3.48Å; Y361-N365 PolarHBondContact OH-ND2 3.41Å; Y361-Q373 PolarHBondContact OH-O 3.5Å; Y361-Q375 HydrophobicContact CD1-CG 3.88Å; Y361-Q375 HydrophobicContact CD2-CG 4.2Å; Y361-Q375 HydrophobicContact CE1-CG 3.42Å; Y361-Q375 VanDerWaalsContact CE1-CG 3.42Å; Y361-Q375 HydrophobicContact CE2-CB 4.39Å; Y361-Q375 HydrophobicContact CE2-CG 3.78Å; Y361-Q375 HydrophobicContact CG-CG 4.24Å
362R66.6Low62.5Low153 Ų153101.8 Ų101.858%0.57751%0.509SS*.Hα-helixtrans-62.9-46.9176.7-76.1179.1-169.2157.12.6112.2E358 D359 R364 N365 R366E358-R362 WeakPolarHBondContact O-CB 3.48Å; E358-R362 VanDerWaalsContact O-CG 3.32Å; E358-R362 WeakPolarHBondContact O-CG 3.4Å; E358-R362 PolarHBondContact O-N 3.41Å; D359-R362 IonicContact OD1-NH1 2.78Å; R362-R364 PolarHBondContact O-N 3.5Å; R362-N365 PolarHBondContact O-N 2.82Å; R362-R366 PolarHBondContact O-N 3.31Å
363N65.6Low60.9Low116 Ų116101 Ų10162%0.6250%0.504SS*.Hα-helixtrans-62.9-33.1-178.8-80.4-33.1000112.1D359 W360D359-N363 VanDerWaalsContact O-CB 3.23Å; D359-N363 WeakPolarHBondContact O-CB 3.22Å; D359-N363 VanDerWaalsContact O-CG 3.27Å; D359-N363 PolarHBondContact O-N 2.94Å; D359-N363 PolarHBondContact O-ND2 3.49Å; D359-N363 VanDerWaalsContact O-ND2 3.14Å; W360-N363 PolarHBondContact O-N 3.1Å
364R65.9Low59.6Low154 Ų154105.8 Ų105.858%0.58152%0.522SS*.Hα-helixtrans-80.7-30.7-179.8-164.8156.9169.4106.3-7.5113.6V277 W360 Y361 R362V277-R364 PolarHBondContact O-NE 2.83Å; V277-R364 PolarHBondContact O-NH2 3.44Å; W360-R364 WeakPolarHBondContact O-CB 3.26Å; W360-R364 PolarHBondContact O-N 2.82Å; Y361-R364 PolarHBondContact O-N 3.41Å; R362-R364 PolarHBondContact O-N 3.5Å
365N64.8Low59.1Low53 Ų53107.3 Ų107.328%0.28353%0.527SS..SBendtrans-98.116.8178.3-74-44.9000114.3Y361 R362 D367 N368Y361-N365 VanDerWaalsContact CE1-ND2 3.3Å; Y361-N365 WeakPolarHBondContact CE1-ND2 3.34Å; Y361-N365 WeakPolarHBondContact CE2-ND2 3.4Å; Y361-N365 PolarHBondContact O-N 3.19Å; Y361-N365 VanDerWaalsContact O-N 3.11Å; Y361-N365 PolarHBondContact O-ND2 3.48Å; Y361-N365 PolarHBondContact OH-ND2 3.41Å; R362-N365 PolarHBondContact O-N 2.82Å; N365-D367 PolarHBondContact O-N 3.39Å; N365-N368 PolarHBondContact O-N 3.43Å
366R59.1Low58.7Low195 Ų195100.1 Ų100.174%0.73650%0.495SS*.THydrogen-bonded Turntrans-53.2-28.6-176.3-168.2173.5175.4174.7-1.7114.2R362R362-R366 PolarHBondContact O-N 3.31Å
367D59.1Low58.7Low155 Ų15598.5 Ų98.583%0.82948%0.484SS*.THydrogen-bonded Turntrans-97-2.4-178.3-64.4-27.9000114.7N365N365-D367 PolarHBondContact O-N 3.39Å
368N54.1Low58.4Low97 Ų9798.5 Ų98.552%0.51948%0.484SS..  trans-103.870.6179.5-84.1-20.8000111.5N365 S370N365-N368 PolarHBondContact O-N 3.43Å; N368-S370 PolarHBondContact O-N 3.04Å
369S51.4Low58.6Low122 Ų12298.8 Ų98.885%0.85349%0.488SS*.THydrogen-bonded Turntrans-72.32.4-179.2-75.30000115.9
370S46Very low59.3Low104 Ų10496 Ų9673%0.72747%0.473SS*.THydrogen-bonded Turntrans-135.415.7-164.450.20000117.5N368N368-S370 PolarHBondContact O-N 3.04Å
371N41.2Very low60.2Low112 Ų112100 Ų10060%0.59949%0.488SS*.  trans-139.2131167.6-89.5-33.6000111.8Q373N371-Q373 HydrophobicContact CB-CB 4.24Å; N371-Q373 HydrophobicContact CB-CG 3.78Å; N371-Q373 PolarHBondContact ND2-NE2 3.45Å; N371-Q373 PolarHBondContact O-N 2.97Å
372N46.5Very low61.3Low180 Ų18098.7 Ų98.796%0.96348%0.483SS*.  trans-62.445.8162-87.1-14.3000111.6F374N372-F374 PolarHBondContact O-N 2.88Å
373Q46.2Very low62.5Low107 Ų10792.1 Ų92.150%0.546%0.46SS..  trans-69.4127-173.9-99.916612.500110.2Y361 N371 Q375Y361-Q373 PolarHBondContact OH-O 3.5Å; N371-Q373 HydrophobicContact CB-CB 4.24Å; N371-Q373 HydrophobicContact CB-CG 3.78Å; N371-Q373 PolarHBondContact ND2-NE2 3.45Å; N371-Q373 PolarHBondContact O-N 2.97Å; Q373-Q375 PolarHBondContact O-N 3.44Å
374F50.8Low63.6Low170 Ų17090.9 Ų90.975%0.74645%0.45SS*.  trans-22.6110.5170.4-174.5-102000114N372 P376N372-F374 PolarHBondContact O-N 2.88Å; F374-P376 HydrophobicContact CD1-CB 4.23Å; F374-P376 HydrophobicContact CE1-CB 3.87Å; F374-P376 WeakPolarHBondContact O-CD 3.21Å
375Q55.5Low65Low75 Ų7583.9 Ų83.935%0.3542%0.423SS..  trans-75111.8161.6-80.4-175-10.100108Y361 Q373 K377Y361-Q375 HydrophobicContact CD1-CG 3.88Å; Y361-Q375 HydrophobicContact CD2-CG 4.2Å; Y361-Q375 HydrophobicContact CE1-CG 3.42Å; Y361-Q375 VanDerWaalsContact CE1-CG 3.42Å; Y361-Q375 HydrophobicContact CE2-CB 4.39Å; Y361-Q375 HydrophobicContact CE2-CG 3.78Å; Y361-Q375 HydrophobicContact CG-CG 4.24Å; Q373-Q375 PolarHBondContact O-N 3.44Å; Q375-K377 VanDerWaalsContact C-N 3.28Å; Q375-K377 PolarHBondContact O-N 3.22Å
376P59Low66.4Low11 Ų1181.4 Ų81.47%0.07141%0.41CS..  trans-73.685.4171.730.6-32.1000108.6L274 V277 Y357 F374L274-P376 WeakPolarHBondContact CD2-O 3.32Å; V277-P376 HydrophobicContact CB-CG 4.25Å; V277-P376 HydrophobicContact CG1-CG 3.62Å; V277-P376 HydrophobicContact CG2-CG 3.64Å; Y357-P376 PolarHBondContact OH-O 2.93Å; F374-P376 HydrophobicContact CD1-CB 4.23Å; F374-P376 HydrophobicContact CE1-CB 3.87Å; F374-P376 WeakPolarHBondContact O-CD 3.21Å
377K63.7Low68Low54 Ų5475.4 Ų75.424%0.23539%0.393CS..PPolyproline II helixtrans-89.1131.8164-75.8-174.9179-176.60107.7L156 Y357 E358 Q375 T379L156-K377 PolarHBondContact O-NZ 3.41Å; Y357-K377 HydrophobicContact CE1-CD 4.03Å; Y357-K377 HydrophobicContact CE1-CG 3.66Å; Y357-K377 WeakPolarHBondContact OH-CG 3.44Å; E358-K377 IonicContact OE1-NZ 3.7Å; E358-K377 PolarHBondContact OE1-NZ 3.34Å; Q375-K377 VanDerWaalsContact C-N 3.28Å; Q375-K377 PolarHBondContact O-N 3.22Å; K377-T379 PolarHBondContact O-N 3.28Å
378P62.3Low69.7Low3 Ų368.4 Ų68.42%0.01936%0.356CS..PPolyproline II helixtrans-62.6137.4173.627.7-28.3000107.7D270 L274 I351D270-P378 HydrophobicContact CB-CB 4.48Å; L274-P378 HydrophobicContact CD1-CB 3.89Å; L274-P378 HydrophobicContact CD1-CG 3.73Å; I351-P378 HydrophobicContact CD1-CB 4.46Å; I351-P378 HydrophobicContact CD1-CG 3.34Å; I351-P378 HydrophobicContact CG1-CG 3.88Å; I351-P378 HydrophobicContact CG2-CG 4.17Å
379T70.8Confident71.7Confident45 Ų4563.8 Ų63.828%0.27633%0.332SS..PPolyproline II helixtrans-66.4145.6179.460.50000109.4D270 K377 R381 T382 L383D270-T379 WeakPolarHBondContact OD2-CB 3.43Å; D270-T379 PolarHBondContact OD2-N 2.84Å; D270-T379 PolarHBondContact OD2-OG1 3.03Å; K377-T379 PolarHBondContact O-N 3.28Å; T379-R381 PolarHBondContact O-N 2.55Å; T379-R381 WeakPolarHBondContact OG1-CB 3.41Å; T379-T382 WeakPolarHBondContact O-CB 3.37Å; T379-T382 PolarHBondContact O-N 3.45Å; T379-T382 PolarHBondContact OG1-N 3.34Å; T379-T382 PolarHBondContact OG1-OG1 2.9Å; T379-L383 PolarHBondContact O-N 2.83Å
380H81Confident73.7Confident23 Ų2358.4 Ų58.411%0.10629%0.293CS..Hα-helixtrans-47.6-30.5168.8172.1-100.3000112.3D149 H152 N153 T382 L383 H384D149-H380 IonicContact OD1-CE1 2.66Å; D149-H380 IonicContact OD1-CG 3.53Å; D149-H380 IonicContact OD1-ND1 2.76Å; D149-H380 PolarHBondContact OD1-ND1 3.06Å; H152-H380 HydrophobicContact CB-CB 3.7Å; H152-H380 WeakPolarHBondContact CB-CD2 3.25Å; H152-H380 AromaticContact CD2-CD2 3.63Å; H152-H380 AromaticContact CD2-CE1 3.62Å; H152-H380 AromaticContact CD2-NE2 3.26Å; H152-H380 PolarHBondContact CD2-NE2 3.08Å; H152-H380 VanDerWaalsContact CD2-NE2 3.26Å; H152-H380 AromaticContact CE1-NE2 3.76Å; H152-H380 AromaticContact CG-CD2 3.21Å; H152-H380 AromaticContact CG-CE1 3.98Å; H152-H380 AromaticContact CG-CG 3.75Å; H152-H380 AromaticContact CG-NE2 3.37Å; H152-H380 AromaticContact ND1-CD2 3.56Å; H152-H380 AromaticContact ND1-NE2 3.7Å; H152-H380 AromaticContact NE2-NE2 3.58Å; N153-H380 PolarHBondContact OD1-N 3.21Å; N153-H380 VanDerWaalsContact OD1-N 3.16Å; H380-T382 PolarHBondContact O-N 3.41Å; H380-L383 PolarHBondContact O-N 2.99Å; H380-H384 WeakPolarHBondContact O-CB 3.5Å; H380-H384 PolarHBondContact O-N 3.47Å
381R86.6Confident75.9Confident138 Ų13855.1 Ų55.152%0.52127%0.269SS..Hα-helixtrans-58.8-41.7174.9-162.5177.7-142.61714.7113.3T379 F385T379-R381 PolarHBondContact O-N 2.55Å; T379-R381 WeakPolarHBondContact OG1-CB 3.41Å; R381-F385 VanDerWaalsContact O-CB 3.32Å; R381-F385 WeakPolarHBondContact O-CB 3.43Å; R381-F385 PolarHBondContact O-N 2.95Å
382T91.8Very high78.5Confident5 Ų550 Ų503%0.03124%0.241CC..Hα-helixtrans-68.2-43.8177.2-65.90000111.2A267 D270 T379 H380 F385 F386A267-T382 HydrophobicContact CB-CG2 3.93Å; D270-T382 HydrophobicContact CB-CG2 4.29Å; D270-T382 WeakPolarHBondContact OD2-CB 3.31Å; D270-T382 PolarHBondContact OD2-OG1 3.46Å; T379-T382 WeakPolarHBondContact O-CB 3.37Å; T379-T382 PolarHBondContact O-N 3.45Å; T379-T382 PolarHBondContact OG1-N 3.34Å; T379-T382 PolarHBondContact OG1-OG1 2.9Å; H380-T382 PolarHBondContact O-N 3.41Å; T382-F385 WeakPolarHBondContact O-CB 3.4Å; T382-F385 PolarHBondContact O-N 2.98Å; T382-F386 HydrophobicContact CG2-CD2 4.04Å; T382-F386 HydrophobicContact CG2-CE2 3.86Å; T382-F386 VanDerWaalsContact O-CD2 3.26Å; T382-F386 WeakPolarHBondContact O-CD2 3.29Å; T382-F386 PolarHBondContact O-N 3.28Å; T382-F386 VanDerWaalsContact O-N 3.11Å
383L90.2Very high80.7Confident16 Ų1641.5 Ų41.58%0.08420%0.196CC..Hα-helixtrans-62.1-46.2174.3-65.2-179.9000111.9Y344 I351 T379 H380 F385 F386 N387Y344-L383 HydrophobicContact CE2-CD2 3.86Å; Y344-L383 PolarHBondContact OH-O 3.48Å; I351-L383 HydrophobicContact CD1-CD2 3.91Å; I351-L383 HydrophobicContact CG2-CD1 4.27Å; T379-L383 PolarHBondContact O-N 2.83Å; H380-L383 PolarHBondContact O-N 2.99Å; L383-F385 VanDerWaalsContact C-N 3.31Å; L383-F385 PolarHBondContact O-N 2.97Å; L383-F386 PolarHBondContact O-N 2.96Å; L383-N387 WeakPolarHBondContact O-CB 3.47Å; L383-N387 PolarHBondContact O-N 3.14Å
384H90.2Very high82.9Confident90 Ų9040 Ų4042%0.41719%0.191SC..Hα-helixtrans-60-42.2175.8-179.6-76.2000111.9H380 F386 N387 A388H380-H384 WeakPolarHBondContact O-CB 3.5Å; H380-H384 PolarHBondContact O-N 3.47Å; H384-F386 PolarHBondContact O-N 2.91Å; H384-N387 PolarHBondContact O-N 2.84Å; H384-A388 WeakPolarHBondContact O-CB 3.29Å; H384-A388 PolarHBondContact O-N 3.15Å
385F94.3Very high84.8Confident6 Ų632.4 Ų32.43%0.02616%0.158CC..Hα-helixtrans-55.7-50.1175.8162.8-99.1000111.7F257 I259 Q263 L264 A267 V291 R381 T382 L383 A388 L389F257-F385 HydrophobicContact CE1-CD2 4.36Å; F257-F385 HydrophobicContact CE1-CE2 4.31Å; F257-F385 AromaticContact CZ-CD2 3.95Å; F257-F385 HydrophobicContact CZ-CD2 3.95Å; F257-F385 HydrophobicContact CZ-CE2 4.33Å; I259-F385 HydrophobicContact CB-CE2 4.4Å; I259-F385 HydrophobicContact CD1-CE2 4Å; I259-F385 HydrophobicContact CD1-CZ 4.39Å; I259-F385 HydrophobicContact CG1-CE2 3.95Å; I259-F385 HydrophobicContact CG2-CE2 3.74Å; I259-F385 HydrophobicContact CG2-CZ 4.37Å; Q263-F385 HydrophobicContact CB-CD2 4.47Å; L264-F385 HydrophobicContact CD2-CE1 4.38Å; L264-F385 HydrophobicContact CD2-CE2 4.24Å; L264-F385 HydrophobicContact CD2-CZ 3.58Å; A267-F385 HydrophobicContact CB-CD1 3.99Å; A267-F385 HydrophobicContact CB-CE1 4.23Å; V291-F385 HydrophobicContact CG2-CE1 4.45Å; R381-F385 VanDerWaalsContact O-CB 3.32Å; R381-F385 WeakPolarHBondContact O-CB 3.43Å; R381-F385 PolarHBondContact O-N 2.95Å; T382-F385 WeakPolarHBondContact O-CB 3.4Å; T382-F385 PolarHBondContact O-N 2.98Å; L383-F385 VanDerWaalsContact C-N 3.31Å; L383-F385 PolarHBondContact O-N 2.97Å; F385-A388 PolarHBondContact O-N 2.98Å; F385-L389 HydrophobicContact CE1-CD2 4.28Å; F385-L389 HydrophobicContact CZ-CD2 3.88Å; F385-L389 WeakPolarHBondContact O-CB 3.44Å; F385-L389 PolarHBondContact O-N 3.04Å
386F94.6Very high86.6Confident2 Ų228.9 Ų28.91%0.00914%0.141CC..Hα-helixtrans-66.5-43178.1-79.8-70.5000112.5A267 L271 L287 M290 V291 Y344 T382 L383 H384 A388 L389 F390A267-F386 HydrophobicContact CB-CE2 4.44Å; L271-F386 HydrophobicContact CD1-CE2 3.84Å; L271-F386 HydrophobicContact CD1-CZ 3.72Å; L271-F386 HydrophobicContact CG-CE2 4.47Å; L287-F386 HydrophobicContact CB-CE1 4.31Å; L287-F386 HydrophobicContact CB-CZ 4.04Å; L287-F386 HydrophobicContact CD2-CD1 4.3Å; L287-F386 HydrophobicContact CD2-CE1 3.93Å; L287-F386 HydrophobicContact CD2-CZ 4.43Å; M290-F386 HydrophobicContact CE-CD1 4.48Å; M290-F386 HydrophobicContact CE-CE1 4.38Å; M290-F386 HydrophobicContact SD-CE1 4.11Å; V291-F386 HydrophobicContact CG2-CE1 4.17Å; V291-F386 HydrophobicContact CG2-CZ 3.7Å; Y344-F386 HydrophobicContact CD2-CB 3.56Å; Y344-F386 HydrophobicContact CD2-CD2 4.23Å; Y344-F386 AromaticContact CD2-CG 3.88Å; Y344-F386 HydrophobicContact CD2-CG 3.88Å; Y344-F386 HydrophobicContact CE1-CB 4.31Å; Y344-F386 HydrophobicContact CE2-CB 3.32Å; Y344-F386 HydrophobicContact CE2-CD2 4.21Å; Y344-F386 AromaticContact CE2-CG 3.99Å; Y344-F386 HydrophobicContact CE2-CG 3.99Å; Y344-F386 HydrophobicContact CG-CB 4.17Å; T382-F386 HydrophobicContact CG2-CD2 4.04Å; T382-F386 HydrophobicContact CG2-CE2 3.86Å; T382-F386 VanDerWaalsContact O-CD2 3.26Å; T382-F386 WeakPolarHBondContact O-CD2 3.29Å; T382-F386 PolarHBondContact O-N 3.28Å; T382-F386 VanDerWaalsContact O-N 3.11Å; L383-F386 PolarHBondContact O-N 2.96Å; H384-F386 PolarHBondContact O-N 2.91Å; F386-A388 VanDerWaalsContact C-N 3.32Å; F386-A388 PolarHBondContact O-N 3.35Å; F386-L389 PolarHBondContact O-N 2.63Å; F386-F390 HydrophobicContact CB-CD2 4.23Å; F386-F390 HydrophobicContact CB-CE2 4.07Å; F386-F390 AromaticContact CD1-CE2 3.84Å; F386-F390 HydrophobicContact CD1-CE2 3.84Å; F386-F390 HydrophobicContact CD1-CZ 4.31Å; F386-F390 HydrophobicContact CG-CE2 4.37Å; F386-F390 WeakPolarHBondContact O-CD2 3.42Å; F386-F390 PolarHBondContact O-N 3.39Å
387N93.2Very high88.2Confident68 Ų6829.2 Ų29.236%0.36414%0.142SC..Hα-helixtrans-55.7-46.7174.9-80.5-24.9000112L225 Y344 L383 H384 T391L225-N387 HydrophobicContact CD2-CB 4Å; Y344-N387 WeakPolarHBondContact CE1-OD1 3.25Å; Y344-N387 PolarHBondContact OH-ND2 3.02Å; Y344-N387 PolarHBondContact OH-OD1 2.74Å; L383-N387 WeakPolarHBondContact O-CB 3.47Å; L383-N387 PolarHBondContact O-N 3.14Å; H384-N387 PolarHBondContact O-N 2.84Å; N387-T391 VanDerWaalsContact O-CB 3.28Å; N387-T391 WeakPolarHBondContact O-CB 3.31Å; N387-T391 PolarHBondContact O-N 3.29Å; N387-T391 PolarHBondContact O-OG1 2.95Å
388A94.8Very high89.3Confident8 Ų830.2 Ų30.27%0.06614%0.144CC..Hα-helixtrans-66.2-42.5178.800000112L225 F257 H384 F385 F386 T391 V392L225-A388 HydrophobicContact CD1-CB 3.76Å; F257-A388 HydrophobicContact CD1-CB 4.5Å; F257-A388 HydrophobicContact CD2-CB 3.72Å; F257-A388 HydrophobicContact CE1-CB 4.17Å; F257-A388 HydrophobicContact CE2-CB 3.36Å; F257-A388 HydrophobicContact CG-CB 4.3Å; F257-A388 HydrophobicContact CZ-CB 3.61Å; H384-A388 WeakPolarHBondContact O-CB 3.29Å; H384-A388 PolarHBondContact O-N 3.15Å; F385-A388 PolarHBondContact O-N 2.98Å; F386-A388 VanDerWaalsContact C-N 3.32Å; F386-A388 PolarHBondContact O-N 3.35Å; A388-T391 PolarHBondContact O-N 2.93Å; A388-V392 PolarHBondContact O-N 3.01Å
389L94.8Very high90.4Very high0 Ų035.3 Ų35.30%017%0.171CC..Hα-helixtrans-61.1-50.8176.3-178.550.4000112F257 I259 M290 I294 F385 F386 T391 V392 L393 F460F257-L389 HydrophobicContact CD1-CD1 4.49Å; F257-L389 HydrophobicContact CE1-CB 3.94Å; F257-L389 HydrophobicContact CE1-CD1 4.44Å; I259-L389 HydrophobicContact CD1-CD1 3.86Å; I259-L389 HydrophobicContact CD1-CD2 4.34Å; M290-L389 HydrophobicContact CE-CD2 3.45Å; M290-L389 VanDerWaalsContact CE-CD2 3.45Å; M290-L389 HydrophobicContact CE-CG 4.08Å; I294-L389 HydrophobicContact CD1-CD2 3.96Å; F385-L389 HydrophobicContact CE1-CD2 4.28Å; F385-L389 HydrophobicContact CZ-CD2 3.88Å; F385-L389 WeakPolarHBondContact O-CB 3.44Å; F385-L389 PolarHBondContact O-N 3.04Å; F386-L389 PolarHBondContact O-N 2.63Å; L389-T391 VanDerWaalsContact C-N 3.29Å; L389-T391 PolarHBondContact O-N 2.73Å; L389-V392 HydrophobicContact CD1-CG1 4.34Å; L389-V392 WeakPolarHBondContact O-CG1 3.4Å; L389-V392 PolarHBondContact O-N 3.49Å; L389-L393 HydrophobicContact CD1-CD1 3.79Å; L389-L393 HydrophobicContact CD1-CG 3.99Å; L389-L393 HydrophobicContact CG-CD1 3.97Å; L389-L393 WeakPolarHBondContact O-CB 3.48Å; L389-L393 VanDerWaalsContact O-CG 3.25Å; L389-L393 WeakPolarHBondContact O-CG 3.44Å; L389-L393 PolarHBondContact O-N 2.51Å; L389-F460 HydrophobicContact CD1-CE2 4.39Å; L389-F460 HydrophobicContact CD1-CZ 4.18Å
390F94Very high91.1Very high9 Ų940.7 Ų40.74%0.03920%0.198CC..Hα-helixtrans-65.6-33.7177.9-70.2-57.3000112L287 M290 Q340 Y344 F386 N394L287-F390 HydrophobicContact CD2-CZ 4.31Å; M290-F390 HydrophobicContact CE-CE1 3.77Å; M290-F390 HydrophobicContact CE-CZ 3.8Å; M290-F390 HydrophobicContact SD-CE1 4.33Å; M290-F390 HydrophobicContact SD-CZ 4.01Å; Q340-F390 HydrophobicContact CB-CE1 3.96Å; Q340-F390 HydrophobicContact CB-CZ 3.99Å; Y344-F390 AromaticContact CD1-CD2 3.78Å; Y344-F390 HydrophobicContact CD1-CD2 3.78Å; Y344-F390 AromaticContact CD1-CE2 3.75Å; Y344-F390 HydrophobicContact CD1-CE2 3.75Å; Y344-F390 HydrophobicContact CD2-CE2 4.34Å; Y344-F390 HydrophobicContact CE1-CD2 4.35Å; Y344-F390 HydrophobicContact CG-CD2 4.1Å; Y344-F390 AromaticContact CG-CE2 3.59Å; Y344-F390 HydrophobicContact CG-CE2 3.59Å; F386-F390 HydrophobicContact CB-CD2 4.23Å; F386-F390 HydrophobicContact CB-CE2 4.07Å; F386-F390 AromaticContact CD1-CE2 3.84Å; F386-F390 HydrophobicContact CD1-CE2 3.84Å; F386-F390 HydrophobicContact CD1-CZ 4.31Å; F386-F390 HydrophobicContact CG-CE2 4.37Å; F386-F390 WeakPolarHBondContact O-CD2 3.42Å; F386-F390 PolarHBondContact O-N 3.39Å; F390-N394 WeakPolarHBondContact O-CB 3.24Å; F390-N394 PolarHBondContact O-N 2.71Å; F390-N394 PolarHBondContact O-ND2 3.07Å
391T93.5Very high91.6Very high36 Ų3643.4 Ų43.422%0.22121%0.212CC..Hα-helixtrans-62.2-48.4175.5-62.40000111.7P224 L225 N387 A388 L389 N394 Y395P224-T391 HydrophobicContact CB-CG2 4.12Å; P224-T391 HydrophobicContact CG-CG2 4.24Å; L225-T391 WeakPolarHBondContact CD2-OG1 3.23Å; N387-T391 VanDerWaalsContact O-CB 3.28Å; N387-T391 WeakPolarHBondContact O-CB 3.31Å; N387-T391 PolarHBondContact O-N 3.29Å; N387-T391 PolarHBondContact O-OG1 2.95Å; A388-T391 PolarHBondContact O-N 2.93Å; L389-T391 VanDerWaalsContact C-N 3.29Å; L389-T391 PolarHBondContact O-N 2.73Å; T391-N394 PolarHBondContact O-N 3.38Å; T391-Y395 HydrophobicContact CG2-CD2 4.32Å; T391-Y395 HydrophobicContact CG2-CE2 4.1Å; T391-Y395 WeakPolarHBondContact O-CD2 3.2Å; T391-Y395 PolarHBondContact O-N 3.33Å; T391-Y395 VanDerWaalsContact O-N 3.13Å
392V94.4Very high91.7Very high4 Ų440 Ų402%0.02421%0.208CC..Hα-helixtrans-66.9-40.5179.970.10000111.7F257 A388 L389 N394 Y395 M396 Y407 F460F257-V392 HydrophobicContact CB-CB 4.11Å; F257-V392 HydrophobicContact CB-CG1 3.96Å; F257-V392 HydrophobicContact CB-CG2 4.35Å; F257-V392 HydrophobicContact CD1-CG1 4.06Å; F257-V392 HydrophobicContact CG-CG1 4.42Å; A388-V392 PolarHBondContact O-N 3.01Å; L389-V392 HydrophobicContact CD1-CG1 4.34Å; L389-V392 WeakPolarHBondContact O-CG1 3.4Å; L389-V392 PolarHBondContact O-N 3.49Å; V392-N394 PolarHBondContact O-N 2.89Å; V392-Y395 PolarHBondContact O-N 3.26Å; V392-M396 HydrophobicContact CG2-SD 4.38Å; V392-M396 WeakPolarHBondContact O-CG 3.41Å; V392-M396 PolarHBondContact O-N 3.03Å; V392-Y407 HydrophobicContact CG2-CD1 4.34Å; V392-Y407 HydrophobicContact CG2-CE1 3.56Å; V392-F460 HydrophobicContact CG1-CB 4.4Å; V392-F460 HydrophobicContact CG1-CD1 4.23Å; V392-F460 HydrophobicContact CG1-CD2 4.47Å; V392-F460 HydrophobicContact CG1-CG 4.13Å; V392-F460 HydrophobicContact CG2-CB 3.67Å; V392-F460 HydrophobicContact CG2-CD1 4.39Å; V392-F460 HydrophobicContact CG2-CG 4.2Å
393L92.9Very high91.7Very high1 Ų141.4 Ų41.41%0.00522%0.215CC..Hα-helixtrans-68.2-35.9177.5-63.3171.8000111.6M327 L332 M337 L389 Y395 M396 F397 F460M327-L393 HydrophobicContact SD-CD2 4.28Å; L332-L393 HydrophobicContact CD2-CD1 4.29Å; M337-L393 HydrophobicContact CE-CB 3.05Å; M337-L393 HydrophobicContact CE-CD1 4.09Å; M337-L393 HydrophobicContact CE-CG 4.17Å; L389-L393 HydrophobicContact CD1-CD1 3.79Å; L389-L393 HydrophobicContact CD1-CG 3.99Å; L389-L393 HydrophobicContact CG-CD1 3.97Å; L389-L393 WeakPolarHBondContact O-CB 3.48Å; L389-L393 VanDerWaalsContact O-CG 3.25Å; L389-L393 WeakPolarHBondContact O-CG 3.44Å; L389-L393 PolarHBondContact O-N 2.51Å; L393-Y395 VanDerWaalsContact C-N 3.33Å; L393-Y395 PolarHBondContact O-N 2.92Å; L393-M396 HydrophobicContact CD2-SD 4.36Å; L393-M396 WeakPolarHBondContact O-CB 3.48Å; L393-M396 PolarHBondContact O-N 3.45Å; L393-M396 VanDerWaalsContact O-N 3.11Å; L393-F397 HydrophobicContact CB-CD2 4.39Å; L393-F397 HydrophobicContact CB-CE2 4.27Å; L393-F397 HydrophobicContact CD2-CE2 4.07Å; L393-F397 HydrophobicContact CD2-CZ 4.33Å; L393-F397 PolarHBondContact O-N 3.16Å; L393-F460 HydrophobicContact CD2-CE1 3.95Å
394N92.2Very high91.9Very high76 Ų7641.3 Ų41.341%0.40621%0.214SC..Hα-helixtrans-61.5-40.9174.7-79.8-20.6000111.5M337 F390 T391 V392 M396 R398M337-N394 PolarHBondContact SD-OD1 3.48Å; F390-N394 WeakPolarHBondContact O-CB 3.24Å; F390-N394 PolarHBondContact O-N 2.71Å; F390-N394 PolarHBondContact O-ND2 3.07Å; T391-N394 PolarHBondContact O-N 3.38Å; V392-N394 PolarHBondContact O-N 2.89Å; N394-M396 VanDerWaalsContact C-N 3.29Å; N394-M396 PolarHBondContact O-N 3.19Å; N394-R398 WeakPolarHBondContact O-CB 3.36Å; N394-R398 WeakPolarHBondContact O-CG 3.34Å; N394-R398 PolarHBondContact O-N 2.64Å
395Y92.2Very high92Very high11 Ų1140.2 Ų40.24%0.04322%0.216CC..Hα-helixtrans-58.8-43.4171.8-85.1-64.1000112.2P224 T391 V392 L393 R398 H403 Y407 V467P224-Y395 HydrophobicContact CG-CE2 3.71Å; P224-Y395 WeakPolarHBondContact CG-OH 3.21Å; T391-Y395 HydrophobicContact CG2-CD2 4.32Å; T391-Y395 HydrophobicContact CG2-CE2 4.1Å; T391-Y395 WeakPolarHBondContact O-CD2 3.2Å; T391-Y395 PolarHBondContact O-N 3.33Å; T391-Y395 VanDerWaalsContact O-N 3.13Å; V392-Y395 PolarHBondContact O-N 3.26Å; L393-Y395 VanDerWaalsContact C-N 3.33Å; L393-Y395 PolarHBondContact O-N 2.92Å; Y395-R398 VanDerWaalsContact CD1-CZ 3.44Å; Y395-H403 WeakPolarHBondContact O-CB 3.44Å; Y395-Y407 VanDerWaalsContact CB-OH 3.3Å; Y395-Y407 WeakPolarHBondContact CB-OH 3.32Å; Y395-V467 HydrophobicContact CD1-CG1 3.42Å; Y395-V467 VanDerWaalsContact CD1-CG1 3.42Å; Y395-V467 HydrophobicContact CE1-CG1 3.8Å; Y395-V467 HydrophobicContact CG-CG1 4.03Å
396M92.7Very high92.1Very high0 Ų040.4 Ų40.40%022%0.217CC..Hα-helixtrans-69.3-36.9-177.1-67.6166.758.300113.2I323 V392 L393 N394 M401 L404 Y407 V409 F460I323-M396 HydrophobicContact CG2-CE 3.38Å; V392-M396 HydrophobicContact CG2-SD 4.38Å; V392-M396 WeakPolarHBondContact O-CG 3.41Å; V392-M396 PolarHBondContact O-N 3.03Å; L393-M396 HydrophobicContact CD2-SD 4.36Å; L393-M396 WeakPolarHBondContact O-CB 3.48Å; L393-M396 PolarHBondContact O-N 3.45Å; L393-M396 VanDerWaalsContact O-N 3.11Å; N394-M396 VanDerWaalsContact C-N 3.29Å; N394-M396 PolarHBondContact O-N 3.19Å; M396-M401 WeakPolarHBondContact O-CA 3.29Å; M396-L404 HydrophobicContact CB-CD1 4.29Å; M396-L404 HydrophobicContact CE-CD1 3.91Å; M396-Y407 HydrophobicContact CG-CD1 3.92Å; M396-Y407 HydrophobicContact CG-CD2 3.47Å; M396-Y407 VanDerWaalsContact CG-CD2 3.47Å; M396-Y407 HydrophobicContact CG-CE1 4.14Å; M396-Y407 HydrophobicContact CG-CE2 3.71Å; M396-Y407 HydrophobicContact CG-CG 3.57Å; M396-Y407 HydrophobicContact SD-CD1 3.99Å; M396-Y407 HydrophobicContact SD-CE1 4.41Å; M396-Y407 HydrophobicContact SD-CG 4.05Å; M396-V409 HydrophobicContact CE-CG2 4.26Å; M396-F460 HydrophobicContact CE-CD1 4.48Å; M396-F460 HydrophobicContact SD-CD1 3.85Å; M396-F460 HydrophobicContact SD-CE1 4.43Å
397F91.4Very high92.2Very high18 Ų1840.3 Ų40.38%0.07922%0.217CC..Hα-helixtrans-105.6-16.9-169.6-58.4-30.8000115.7M327 L332 P334 M337 L393 M401 L404M327-F397 HydrophobicContact CB-CZ 4.19Å; M327-F397 HydrophobicContact CG-CZ 4.21Å; L332-F397 VanDerWaalsContact O-CE2 3.31Å; L332-F397 WeakPolarHBondContact O-CE2 3.36Å; P334-F397 HydrophobicContact CB-CG 4.49Å; P334-F397 HydrophobicContact CG-CB 4.42Å; P334-F397 HydrophobicContact CG-CD1 4.08Å; P334-F397 HydrophobicContact CG-CD2 4.21Å; P334-F397 HydrophobicContact CG-CE1 4.4Å; P334-F397 HydrophobicContact CG-CG 4Å; M337-F397 HydrophobicContact CE-CD2 3.48Å; M337-F397 VanDerWaalsContact CE-CD2 3.48Å; M337-F397 HydrophobicContact CE-CE2 4Å; M337-F397 HydrophobicContact SD-CD2 4.12Å; L393-F397 HydrophobicContact CB-CD2 4.39Å; L393-F397 HydrophobicContact CB-CE2 4.27Å; L393-F397 HydrophobicContact CD2-CE2 4.07Å; L393-F397 HydrophobicContact CD2-CZ 4.33Å; L393-F397 PolarHBondContact O-N 3.16Å; F397-M401 HydrophobicContact CD1-CG 4.21Å; F397-M401 PolarHBondContact O-N 3.4Å; F397-L404 HydrophobicContact CD1-CD1 4.38Å; F397-L404 HydrophobicContact CE1-CD1 4.01Å
398R88Confident92.4Very high76 Ų7638 Ų3829%0.28720%0.204SC..Hα-helixtrans-59.7163.1174.470.7-176.2-170.9-179.52.7112N394 Y395 N400 M401 H403N394-R398 WeakPolarHBondContact O-CB 3.36Å; N394-R398 WeakPolarHBondContact O-CG 3.34Å; N394-R398 PolarHBondContact O-N 2.64Å; Y395-R398 VanDerWaalsContact CD1-CZ 3.44Å; R398-N400 VanDerWaalsContact C-N 3.31Å; R398-N400 PolarHBondContact O-N 3.29Å; R398-M401 PolarHBondContact O-N 3.03Å; R398-H403 PolarHBondContact NH2-NE2 3.21Å
399D85.9Confident92.4Very high109 Ų10937.7 Ų37.758%0.58320%0.2SC*.Hα-helixtrans51.646.4172.3-53.8-41.7000113.3M401 C402D399-M401 VanDerWaalsContact C-N 3.34Å; D399-M401 PolarHBondContact O-N 2.93Å; D399-C402 HydrophobicContact CB-CB 4.45Å; D399-C402 WeakPolarHBondContact O-CB 3.46Å; D399-C402 PolarHBondContact O-N 3.28Å
400N85.4Confident92.4Very high159 Ų15937.7 Ų37.785%0.8520%0.2SC*.Hα-helixtrans57.939.9-175.9-60.7-36.8000113.9R398 C402R398-N400 VanDerWaalsContact C-N 3.31Å; R398-N400 PolarHBondContact O-N 3.29Å; N400-C402 PolarHBondContact O-N 3.47Å
401M89.7Confident92.4Very high80 Ų8037.2 Ų37.239%0.39420%0.198SC..Hα-helixtrans61.129.4179.3-54.6172.4-76.700113.5P334 M396 F397 R398 D399 H403 L404P334-M401 HydrophobicContact CG-SD 4.19Å; M396-M401 WeakPolarHBondContact O-CA 3.29Å; F397-M401 HydrophobicContact CD1-CG 4.21Å; F397-M401 PolarHBondContact O-N 3.4Å; R398-M401 PolarHBondContact O-N 3.03Å; D399-M401 VanDerWaalsContact C-N 3.34Å; D399-M401 PolarHBondContact O-N 2.93Å; M401-H403 PolarHBondContact O-N 3.02Å; M401-H403 VanDerWaalsContact O-N 3.15Å; M401-L404 HydrophobicContact CB-CB 4.01Å; M401-L404 HydrophobicContact CB-CD2 4.31Å; M401-L404 VanDerWaalsContact O-CB 3.29Å; M401-L404 WeakPolarHBondContact O-CB 3.34Å; M401-L404 PolarHBondContact O-N 2.95Å; M401-L404 HydrophobicContact SD-CD2 4.36Å
402C89.4Confident92.3Very high66 Ų6636 Ų3645%0.44619%0.191SC..THydrogen-bonded Turntrans-60.3-27.7-175.670.50000113.2D399 N400D399-C402 HydrophobicContact CB-CB 4.45Å; D399-C402 WeakPolarHBondContact O-CB 3.46Å; D399-C402 PolarHBondContact O-N 3.28Å; N400-C402 PolarHBondContact O-N 3.47Å
403H92.6Very high91.9Very high35 Ų3537.7 Ų37.716%0.16220%0.198CC..THydrogen-bonded Turntrans-95.9-2.3178.4-64.7-56.2000114.1Y395 R398 M401 S405 D406 Y407Y395-H403 WeakPolarHBondContact O-CB 3.44Å; R398-H403 PolarHBondContact NH2-NE2 3.21Å; M401-H403 PolarHBondContact O-N 3.02Å; M401-H403 VanDerWaalsContact O-N 3.15Å; H403-S405 PolarHBondContact O-N 3.26Å; H403-S405 VanDerWaalsContact O-N 3.13Å; H403-D406 WeakPolarHBondContact CA-OD2 3.45Å; H403-D406 IonicContact CG-OD2 2.83Å; H403-D406 IonicContact ND1-OD2 3.86Å; H403-D406 PolarHBondContact ND1-OD2 3.28Å; H403-D406 WeakPolarHBondContact O-CA 3.49Å; H403-D406 WeakPolarHBondContact O-CB 3.48Å; H403-D406 PolarHBondContact O-N 2.92Å; H403-Y407 WeakPolarHBondContact O-CD2 3.48Å
404L94.1Very high91.2Very high14 Ų1439.7 Ų39.77%0.07321%0.211CC..G310 helixtrans-57.8-34.3-176.7-177.770.2000112.6G320 I323 C324 M396 F397 M401 D406 Y407G320-L404 WeakPolarHBondContact O-CD2 3.31Å; I323-L404 HydrophobicContact CB-CD1 4.17Å; I323-L404 HydrophobicContact CD1-CD1 4.46Å; I323-L404 HydrophobicContact CG2-CD1 4.07Å; C324-L404 WeakPolarHBondContact SG-CD2 3.34Å; M396-L404 HydrophobicContact CB-CD1 4.29Å; M396-L404 HydrophobicContact CE-CD1 3.91Å; F397-L404 HydrophobicContact CD1-CD1 4.38Å; F397-L404 HydrophobicContact CE1-CD1 4.01Å; M401-L404 HydrophobicContact CB-CB 4.01Å; M401-L404 HydrophobicContact CB-CD2 4.31Å; M401-L404 VanDerWaalsContact O-CB 3.29Å; M401-L404 WeakPolarHBondContact O-CB 3.34Å; M401-L404 PolarHBondContact O-N 2.95Å; M401-L404 HydrophobicContact SD-CD2 4.36Å; L404-D406 VanDerWaalsContact C-N 3.25Å; L404-D406 PolarHBondContact O-N 3.18Å; L404-Y407 PolarHBondContact O-N 3.38Å
405S93Very high90.3Very high66 Ų6639.9 Ų39.946%0.46221%0.21SC..G310 helixtrans-69.7-20.3175.450.20000114.2H403 Y407 R408 F700H403-S405 PolarHBondContact O-N 3.26Å; H403-S405 VanDerWaalsContact O-N 3.13Å; S405-Y407 PolarHBondContact O-N 3.17Å; S405-R408 PolarHBondContact O-NH1 2.99Å; S405-F700 WeakPolarHBondContact O-CE2 3.35Å
406D95.2Very high89.1Confident10 Ų1040.5 Ų40.55%0.05322%0.22CC..G310 helixtrans-74.4-11.8176.5-61.7-44.8000112.4H403 L404 L463 N464 V467 F700H403-D406 WeakPolarHBondContact CA-OD2 3.45Å; H403-D406 IonicContact CG-OD2 2.83Å; H403-D406 IonicContact ND1-OD2 3.86Å; H403-D406 PolarHBondContact ND1-OD2 3.28Å; H403-D406 WeakPolarHBondContact O-CA 3.49Å; H403-D406 WeakPolarHBondContact O-CB 3.48Å; H403-D406 PolarHBondContact O-N 2.92Å; L404-D406 VanDerWaalsContact C-N 3.25Å; L404-D406 PolarHBondContact O-N 3.18Å; D406-L463 WeakPolarHBondContact O-CB 3.31Å; D406-L463 PolarHBondContact O-N 3.32Å; D406-N464 HydrophobicContact CB-CB 3.76Å; D406-N464 WeakPolarHBondContact OD1-CB 3.48Å; D406-N464 PolarHBondContact OD1-ND2 3.43Å; D406-V467 HydrophobicContact CB-CG2 3.98Å; D406-F700 HydrophobicContact CB-CE2 4.48Å; D406-F700 WeakPolarHBondContact OD1-CZ 3.26Å
407Y97.1Very high87.9Confident0 Ų047.4 Ų47.40%025%0.247CC..EExtended strand (participates in β ladder)trans-106.3154.7-176.5-78.4-95.8000113.6A255 V392 Y395 M396 H403 L404 S405 W461 C462A255-Y407 VanDerWaalsContact O-CE1 3.3Å; A255-Y407 WeakPolarHBondContact O-CE1 3.27Å; A255-Y407 PolarHBondContact O-OH 3.27Å; V392-Y407 HydrophobicContact CG2-CD1 4.34Å; V392-Y407 HydrophobicContact CG2-CE1 3.56Å; Y395-Y407 VanDerWaalsContact CB-OH 3.3Å; Y395-Y407 WeakPolarHBondContact CB-OH 3.32Å; M396-Y407 HydrophobicContact CG-CD1 3.92Å; M396-Y407 HydrophobicContact CG-CD2 3.47Å; M396-Y407 VanDerWaalsContact CG-CD2 3.47Å; M396-Y407 HydrophobicContact CG-CE1 4.14Å; M396-Y407 HydrophobicContact CG-CE2 3.71Å; M396-Y407 HydrophobicContact CG-CG 3.57Å; M396-Y407 HydrophobicContact SD-CD1 3.99Å; M396-Y407 HydrophobicContact SD-CE1 4.41Å; M396-Y407 HydrophobicContact SD-CG 4.05Å; H403-Y407 WeakPolarHBondContact O-CD2 3.48Å; L404-Y407 PolarHBondContact O-N 3.38Å; S405-Y407 PolarHBondContact O-N 3.17Å; Y407-W461 CarbonylContact C-O 3.58Å; Y407-W461 VanDerWaalsContact CA-O 3.29Å; Y407-W461 WeakPolarHBondContact CA-O 3.36Å; Y407-C462 HydrophobicContact CD1-CB 4.26Å; Y407-C462 HydrophobicContact CE1-CB 3.7Å
408R96.2Very high86.7Confident21 Ų2152.4 Ų52.48%0.07927%0.271CS..EExtended strand (participates in β ladder)trans-124.4132159.6-62.1-66.8-178.9-87.50.8108.5V317 T319 S405 V410 W461 L463 Q696V317-R408 HydrophobicContact CG1-CB 4.38Å; V317-R408 HydrophobicContact CG1-CG 4.47Å; T319-R408 VanDerWaalsContact CG2-CD 3.45Å; S405-R408 PolarHBondContact O-NH1 2.99Å; R408-V410 HydrophobicContact CB-CG2 3.87Å; R408-W461 HydrophobicContact CB-CB 4.39Å; R408-W461 HydrophobicContact CB-CE3 4.5Å; R408-W461 PolarHBondContact N-O 3.43Å; R408-W461 PolarHBondContact O-N 3.27Å; R408-L463 HydrophobicContact CG-CD1 3.57Å; R408-L463 HydrophobicContact CG-CG 4.18Å; R408-Q696 VanDerWaalsContact CD-OE1 3.3Å; R408-Q696 HydrophobicContact CG-CB 4.23Å; R408-Q696 HydrophobicContact CG-CG 4.42Å
409V95.4Very high85.6Confident0 Ų054.9 Ų54.90%028%0.284CS..EExtended strand (participates in β ladder)trans-96127.1165178.90000106.8W318 I323 L326 M327 M396 L458 N459 F460W318-V409 HydrophobicContact CB-CB 4.48Å; W318-V409 HydrophobicContact CE3-CB 4.36Å; W318-V409 HydrophobicContact CE3-CG1 4.05Å; W318-V409 HydrophobicContact CZ3-CG1 4.43Å; W318-V409 PolarHBondContact N-O 3.44Å; W318-V409 PolarHBondContact O-N 2.8Å; I323-V409 HydrophobicContact CB-CG2 4.44Å; I323-V409 HydrophobicContact CD1-CG2 4.1Å; I323-V409 HydrophobicContact CG1-CB 4.27Å; I323-V409 HydrophobicContact CG1-CG2 3.98Å; I323-V409 HydrophobicContact CG2-CG2 3.65Å; L326-V409 HydrophobicContact CD2-CG1 4.26Å; M327-V409 HydrophobicContact CE-CG1 3.97Å; M327-V409 HydrophobicContact CE-CG2 4.08Å; M396-V409 HydrophobicContact CE-CG2 4.26Å; V409-L458 HydrophobicContact CG1-CD1 3.56Å; V409-L458 HydrophobicContact CG1-CG 4.13Å; V409-N459 CarbonylContact C-O 3.5Å; V409-N459 VanDerWaalsContact CA-O 3.29Å; V409-N459 WeakPolarHBondContact CA-O 3.42Å; V409-F460 HydrophobicContact CG2-CD1 3.79Å; V409-F460 HydrophobicContact CG2-CE1 3.94Å
410V94.4Very high84Confident0 Ų055.3 Ų55.30%028%0.282CS..EExtended strand (participates in β ladder)trans-135.2119.8-171.9-169.80000110.6Q316 V317 R408 V412 N459 W461Q316-V410 CarbonylContact O-C 3.57Å; Q316-V410 VanDerWaalsContact O-CA 3.29Å; Q316-V410 WeakPolarHBondContact O-CA 3.5Å; V317-V410 HydrophobicContact CG1-CG2 4.24Å; V317-V410 HydrophobicContact CG2-CG1 4.02Å; V317-V410 HydrophobicContact CG2-CG2 4.11Å; R408-V410 HydrophobicContact CB-CG2 3.87Å; V410-V412 HydrophobicContact CG1-CG1 3.67Å; V410-N459 HydrophobicContact CB-CB 4.47Å; V410-N459 PolarHBondContact N-O 3.1Å; V410-N459 PolarHBondContact O-N 2.79Å; V410-N459 PolarHBondContact O-ND2 2.83Å; V410-W461 HydrophobicContact CB-CD2 4.46Å; V410-W461 HydrophobicContact CB-CE3 4.39Å; V410-W461 HydrophobicContact CB-CH2 4.13Å; V410-W461 HydrophobicContact CB-CZ2 4.2Å; V410-W461 HydrophobicContact CB-CZ3 4.24Å; V410-W461 HydrophobicContact CG1-CH2 3.87Å; V410-W461 HydrophobicContact CG1-CZ2 4.25Å; V410-W461 HydrophobicContact CG1-CZ3 4.21Å; V410-W461 HydrophobicContact CG2-CD2 3.92Å; V410-W461 HydrophobicContact CG2-CE3 3.55Å; V410-W461 HydrophobicContact CG2-CH2 4.03Å; V410-W461 HydrophobicContact CG2-CZ2 4.37Å; V410-W461 HydrophobicContact CG2-CZ3 3.63Å
411L94.3Very high82.6Confident0 Ų053.6 Ų53.60%027%0.272CS..EExtended strand (participates in β ladder)trans-92.5128169.6-175.669.7000109.2M298 T301 L305 T315 Q316 W318 L456 S457 L458M298-L411 HydrophobicContact CB-CD1 4.08Å; M298-L411 HydrophobicContact CE-CD1 4.09Å; M298-L411 HydrophobicContact CG-CD1 3.84Å; M298-L411 WeakPolarHBondContact O-CD2 3.44Å; T301-L411 HydrophobicContact CG2-CD2 3.75Å; L305-L411 HydrophobicContact CD2-CB 4.36Å; L305-L411 HydrophobicContact CD2-CD2 4.08Å; L305-L411 HydrophobicContact CD2-CG 4.14Å; T315-L411 WeakPolarHBondContact CA-O 3.49Å; Q316-L411 HydrophobicContact CB-CB 4.45Å; Q316-L411 PolarHBondContact N-O 3.05Å; Q316-L411 PolarHBondContact O-N 2.83Å; W318-L411 HydrophobicContact CH2-CB 3.8Å; W318-L411 HydrophobicContact CH2-CD2 4.42Å; W318-L411 HydrophobicContact CZ3-CB 3.67Å; L411-L456 HydrophobicContact CD1-CB 4.43Å; L411-L456 HydrophobicContact CD1-CD2 4.25Å; L411-L456 HydrophobicContact CG-CD2 4.37Å; L411-S457 WeakPolarHBondContact CA-O 3.39Å; L411-L458 HydrophobicContact CB-CD1 4.31Å; L411-L458 HydrophobicContact CD1-CB 4.48Å; L411-L458 HydrophobicContact CD1-CD1 4.42Å
412V91.1Very high80.6Confident10 Ų1052.8 Ų52.86%0.06127%0.272CS..EExtended strand (participates in β ladder)trans-135.1148.3177.2-54.60000110.8T315 V410 T414 S457 N459T315-V412 HydrophobicContact CG2-CB 4.32Å; T315-V412 HydrophobicContact CG2-CG1 3.46Å; T315-V412 VanDerWaalsContact CG2-CG1 3.46Å; V410-V412 HydrophobicContact CG1-CG1 3.67Å; V412-T414 HydrophobicContact CG2-CG2 3.94Å; V412-S457 WeakPolarHBondContact CG2-OG 3.39Å; V412-S457 PolarHBondContact N-O 3.22Å; V412-S457 PolarHBondContact O-N 3.39Å; V412-N459 WeakPolarHBondContact CG2-ND2 3.4Å
413E87.2Confident78.5Confident39 Ų3958.3 Ų58.318%0.18229%0.289CS..EExtended strand (participates in β ladder)trans-87.8105.6166.3-170.2-174.8-136.700108.8L305 K454 L456L305-E413 HydrophobicContact CD1-CB 4.13Å; E413-K454 HydrophobicContact CG-CB 4.34Å; E413-K454 HydrophobicContact CG-CG 4.34Å; E413-K454 WeakPolarHBondContact OE1-CD 3.35Å; E413-K454 IonicContact OE1-NZ 3.02Å; E413-K454 PolarHBondContact OE1-NZ 3.43Å; E413-K454 IonicContact OE2-NZ 3.96Å; E413-K454 PolarHBondContact OE2-NZ 3.19Å; E413-L456 HydrophobicContact CB-CD2 4.37Å
414T77.4Confident76.3Confident43 Ų4363.8 Ų63.826%0.26431%0.314SS..EExtended strand (participates in β ladder)trans-91.2140.8175.737.10000111.3V412 Q455V412-T414 HydrophobicContact CG2-CG2 3.94Å; T414-Q455 PolarHBondContact N-O 2.92Å; T414-Q455 PolarHBondContact O-N 2.62Å; T414-Q455 VanDerWaalsContact O-O 3.08Å; T414-Q455 PolarHBondContact OG1-O 2.95Å
415M73.8Confident73.8Confident80 Ų8066.1 Ų66.139%0.39433%0.331SS..EExtended strand (participates in β ladder)trans-87.6114168.8-57.2-61.3160.100108.7K454M415-K454 HydrophobicContact CE-CD 4.39Å; M415-K454 HydrophobicContact CE-CG 3.76Å; M415-K454 HydrophobicContact SD-CD 4.49Å; M415-K454 HydrophobicContact SD-CG 3.46Å; M415-K454 WeakPolarHBondContact SD-CG 3.42Å
416G66Low71.3Confident25 Ų2568.9 Ų68.926%0.25834%0.34SS..EExtended strand (participates in β ladder)trans-92.6155.6167.300000111N453G416-N453 PolarHBondContact N-O 3.45Å; G416-N453 PolarHBondContact O-N 3.24Å
417Y68.8Low68.3Low145 Ų14573.5 Ų73.557%0.56937%0.368SS*.EExtended strand (participates in β ladder)trans-119.9114.6174.1-65.8-87.2000108.6F450 V451 E452Y417-F450 HydrophobicContact CD1-CB 4.29Å; Y417-V451 WeakPolarHBondContact CA-O 3.44Å; Y417-E452 HydrophobicContact CD1-CG 4.03Å; Y417-E452 HydrophobicContact CE1-CG 3.51Å
418E64.9Low65.4Low123 Ų12380.1 Ų80.158%0.57540%0.404SS*.EExtended strand (participates in β ladder)trans-97.9130.6177-163.1168.6-165.100109.9Q420 F450 V451E418-Q420 PolarHBondContact O-N 3.4Å; E418-F450 WeakPolarHBondContact O-CA 3.28Å; E418-V451 PolarHBondContact N-O 3.31Å; E418-V451 PolarHBondContact O-N 3.36Å
419K65.8Low62.3Low127 Ų12787.7 Ų87.755%0.55244%0.44SS*.EExtended strand (participates in β ladder)trans-78.3109.2175.8178.6175170.51760108.3L421 P448 F450K419-L421 PolarHBondContact O-N 3.5Å; K419-P448 HydrophobicContact CD-CB 4.04Å; K419-P448 HydrophobicContact CG-CB 4.01Å; K419-F450 HydrophobicContact CB-CD1 4.27Å; K419-F450 HydrophobicContact CB-CE1 3.99Å
420Q52.8Low59.3Low118 Ų11896.6 Ų96.655%0.55148%0.478SS*.EExtended strand (participates in β ladder)trans-71120.5166.7-86.2-173.5-13.600109.2E418 T422 H449 V451E418-Q420 PolarHBondContact O-N 3.4Å; Q420-T422 PolarHBondContact O-N 3.48Å; Q420-H449 PolarHBondContact N-O 2.99Å; Q420-H449 VanDerWaalsContact N-O 3.15Å; Q420-V451 HydrophobicContact CG-CG2 4.04Å
421L56.1Low56.1Low123 Ų123106 Ų10664%0.64452%0.519SS*.  trans-68.1114.7160.4-72.9155.1000106.5K419 K423K419-L421 PolarHBondContact O-N 3.5Å; L421-K423 PolarHBondContact O-N 2.99Å
422T47.1Very low53Low63 Ų63110.3 Ų110.339%0.38755%0.55SS..  trans-58.5134169.847.20000108.1Q420 E424 S425Q420-T422 PolarHBondContact O-N 3.48Å; T422-E424 PolarHBondContact O-N 2.89Å; T422-S425 WeakPolarHBondContact O-CB 3.4Å; T422-S425 PolarHBondContact O-N 2.99Å; T422-S425 PolarHBondContact O-OG 3.25Å
423K46Very low50.3Low183 Ų183116.8 Ų116.880%0.79659%0.589SS**G310 helixtrans-54.4-20.1-175.5-76.4-179.2175.6177.50114L421 S425 I426L421-K423 PolarHBondContact O-N 2.99Å; K423-S425 PolarHBondContact O-N 2.89Å; K423-I426 PolarHBondContact O-N 3.21Å
424E46.1Very low47.5Very low150 Ų150123.6 Ų123.670%0.70162%0.621SS**G310 helixtrans-62.6-21.1173.6-67.5169.5167.600113.2T422 I426T422-E424 PolarHBondContact O-N 2.89Å; E424-I426 VanDerWaalsContact C-N 3.29Å; E424-I426 PolarHBondContact O-N 3.13Å
425S42Very low45.7Very low62 Ų62125.9 Ų125.943%0.43464%0.639SS.*G310 helixtrans-74.2-16.7177.7-370000113.9T422 K423T422-S425 WeakPolarHBondContact O-CB 3.4Å; T422-S425 PolarHBondContact O-N 2.99Å; T422-S425 PolarHBondContact O-OG 3.25Å; K423-S425 PolarHBondContact O-N 2.89Å
426I39.9Very low43.9Very low125 Ų125131.7 Ų131.764%0.64166%0.662SS**THydrogen-bonded Turntrans-95.7-21.9-170.8-61.4175.4000111.4K423 E424K423-I426 PolarHBondContact O-N 3.21Å; E424-I426 VanDerWaalsContact C-N 3.29Å; E424-I426 PolarHBondContact O-N 3.13Å
427T32.2Very low42.1Very low106 Ų106137.7 Ų137.765%0.6569%0.685SS**G310 helixtrans-86-10.4-175.742.70000115.5
428D35Very low40.4Very low139 Ų139136.6 Ų136.674%0.74369%0.689SS**G310 helixtrans-91.75.5-174.1-78.3-8.3000115.6K430D428-K430 PolarHBondContact O-N 3.14Å
429H32.6Very low39.1Very low180 Ų180134 Ų13483%0.83369%0.689SS**G310 helixtrans-80.55.4175.3-92.9-57.4000115.2
430K30.8Very low37.6Very low187 Ų187138.7 Ų138.781%0.81370%0.703SS**SBendtrans-137.475.9175-71.3-175.6178.41770111.7D428D428-K430 PolarHBondContact O-N 3.14Å
431K28.5Very low36.6Very low198 Ų198139.7 Ų139.786%0.86171%0.711SS**  trans-177.9127141.3-99.3156.2-173.8-173.10113.1
432S28.7Very low35.6Very low91 Ų91138.7 Ų138.764%0.63671%0.714SS**  trans55.8110.2144.256.70000121.1E434S432-E434 PolarHBondContact O-N 3.45Å
433T33.7Very low35.2Very low146 Ų146143.3 Ų143.390%0.89673%0.729SS**  trans-585.4131.1500000117.2
434E30.4Very low34.8Very low182 Ų182143.9 Ų143.985%0.8573%0.731SS**  trans-138.4154.6157.6-75.1-172.6162.500110.4S432S432-E434 PolarHBondContact O-N 3.45Å
435S37.7Very low34.4Very low91 Ų91145.4 Ų145.464%0.63674%0.738SS**  trans-60.2142-157.2-167.20000115.3M437S435-M437 PolarHBondContact O-N 3.05Å
436K37.8Very low34.4Very low201 Ų201147.6 Ų147.687%0.87475%0.748SS**THydrogen-bonded Turntrans-58.8-10.7-174.6-78.8-179.2174.5177.10116.1
437M27.5Very low34.6Very low152 Ų152150.4 Ų150.475%0.74976%0.756SS**THydrogen-bonded Turntrans-84-39.7-172.8-113.4170.6169.400113.3S435 A439 W440S435-M437 PolarHBondContact O-N 3.05Å; M437-A439 PolarHBondContact O-N 3.16Å; M437-W440 PolarHBondContact O-N 3.13Å
438D32.5Very low35.3Very low121 Ų121148.3 Ų148.365%0.64774%0.744SS**Hα-helixtrans-77.3-21.4-174.4-65.6-38.1000113.5W440D438-W440 VanDerWaalsContact C-N 3.29Å; D438-W440 PolarHBondContact O-N 3.32Å
439A37.7Very low36.3Very low69 Ų69147.9 Ų147.957%0.5774%0.738SS**Hα-helixtrans-72.3-17.7176.600000114.1M437M437-A439 PolarHBondContact O-N 3.16Å
440W33.9Very low37.8Very low226 Ų226144.8 Ų144.886%0.85672%0.722SS**Hα-helixtrans-84.4-33.6-179.6-165.138.4000112.3M437 D438M437-W440 PolarHBondContact O-N 3.13Å; D438-W440 VanDerWaalsContact C-N 3.29Å; D438-W440 PolarHBondContact O-N 3.32Å
441I32.9Very low39.8Very low139 Ų139138.8 Ų138.871%0.71370%0.701SS**Hα-helixtrans-80.3-29.2-173.4-55.7175.7000111.9
442S34.3Very low41.9Very low101 Ų101135.8 Ų135.871%0.70669%0.69SS**THydrogen-bonded Turntrans-945.3-174-66.90000115.9K444S442-K444 PolarHBondContact O-N 2.77Å
443K38.8Very low44.2Very low161 Ų161135.5 Ų135.570%0.768%0.681SS**  trans-7575.1171.5-75.2-174.1-178.9177.70110.7H445K443-H445 PolarHBondContact O-N 2.82Å
444K37.1Very low46.5Very low194 Ų194134.2 Ų134.284%0.84366%0.663SS**  trans-51.9110.9149.4-82.2-178.7176.6175.40106.2S442 V446S442-K444 PolarHBondContact O-N 2.77Å; K444-V446 VanDerWaalsContact C-N 3.33Å; K444-V446 PolarHBondContact O-N 2.85Å
445H37.4Very low49.2Very low182 Ų182127.5 Ų127.584%0.84363%0.632SS**  trans-55.395.6174.8-83.1-91.4000109.2K443 K447K443-H445 PolarHBondContact O-N 2.82Å; H445-K447 PolarHBondContact O-N 2.69Å
446V43.1Very low51.8Low108 Ų108123.6 Ų123.666%0.65560%0.603SS**  trans-65107164.5-179.90000105.4K444K444-V446 VanDerWaalsContact C-N 3.33Å; K444-V446 PolarHBondContact O-N 2.85Å
447K43Very low54.5Low185 Ų185114.2 Ų114.280%0.80456%0.563SS**  trans-58.5123.9175.7-73.4-177.7178.7178.90107.3H445 H449H445-K447 PolarHBondContact O-N 2.69Å; K447-H449 PolarHBondContact O-N 2.94Å
448P48.6Very low57.7Low61 Ų61107.1 Ų107.140%0.39653%0.529SS..  trans-56.5127177.720.9-30.8000109.9K419 F450K419-P448 HydrophobicContact CD-CB 4.04Å; K419-P448 HydrophobicContact CG-CB 4.01Å; P448-F450 HydrophobicContact CB-CE2 3.99Å; P448-F450 HydrophobicContact CB-CZ 4.27Å; P448-F450 HydrophobicContact CG-CE2 3.67Å; P448-F450 HydrophobicContact CG-CZ 4.07Å; P448-F450 WeakPolarHBondContact O-CD2 3.45Å; P448-F450 PolarHBondContact O-N 3.23Å
449H56.1Low60.7Low131 Ų131102 Ų10261%0.60650%0.501SS*.EExtended strand (participates in β ladder)trans-79.2115.3173.5-146.970.5000107.7Q420 K447Q420-H449 PolarHBondContact N-O 2.99Å; Q420-H449 VanDerWaalsContact N-O 3.15Å; K447-H449 PolarHBondContact O-N 2.94Å
450F63.6Low63.5Low115 Ų11598.8 Ų98.850%0.50447%0.474SS..EExtended strand (participates in β ladder)trans-95.6128.8176-70.2-84.8000108.6Y417 E418 K419 P448Y417-F450 HydrophobicContact CD1-CB 4.29Å; E418-F450 WeakPolarHBondContact O-CA 3.28Å; K419-F450 HydrophobicContact CB-CD1 4.27Å; K419-F450 HydrophobicContact CB-CE1 3.99Å; P448-F450 HydrophobicContact CB-CE2 3.99Å; P448-F450 HydrophobicContact CB-CZ 4.27Å; P448-F450 HydrophobicContact CG-CE2 3.67Å; P448-F450 HydrophobicContact CG-CZ 4.07Å; P448-F450 WeakPolarHBondContact O-CD2 3.45Å; P448-F450 PolarHBondContact O-N 3.23Å
451V73.3Confident66.6Low61 Ų6189.3 Ų89.337%0.3744%0.438SS..EExtended strand (participates in β ladder)trans-98.8131.8172.9-178.10000108.4Y417 E418 Q420 N453Y417-V451 WeakPolarHBondContact CA-O 3.44Å; E418-V451 PolarHBondContact N-O 3.31Å; E418-V451 PolarHBondContact O-N 3.36Å; Q420-V451 HydrophobicContact CG-CG2 4.04Å; V451-N453 PolarHBondContact O-N 3.13Å
452E71.3Confident69.6Low135 Ų13582.9 Ų82.963%0.63141%0.405SS*.EExtended strand (participates in β ladder)trans-68.9122.6171.2-71.4-176.9174.900109.6Y417Y417-E452 HydrophobicContact CD1-CG 4.03Å; Y417-E452 HydrophobicContact CE1-CG 3.51Å
453N78.1Confident72.6Confident84 Ų8478.4 Ų78.445%0.44937%0.373SS..EExtended strand (participates in β ladder)trans-121.8124.5174-168.37.6000109.5G416 V451G416-N453 PolarHBondContact N-O 3.45Å; G416-N453 PolarHBondContact O-N 3.24Å; V451-N453 PolarHBondContact O-N 3.13Å
454K81.9Confident75.3Confident120 Ų12071.8 Ų71.852%0.52235%0.346SS..EExtended strand (participates in β ladder)trans-77.4128.7173.1-80.1160164.4-1010109E413 M415E413-K454 HydrophobicContact CG-CB 4.34Å; E413-K454 HydrophobicContact CG-CG 4.34Å; E413-K454 WeakPolarHBondContact OE1-CD 3.35Å; E413-K454 IonicContact OE1-NZ 3.02Å; E413-K454 PolarHBondContact OE1-NZ 3.43Å; E413-K454 IonicContact OE2-NZ 3.96Å; E413-K454 PolarHBondContact OE2-NZ 3.19Å; M415-K454 HydrophobicContact CE-CD 4.39Å; M415-K454 HydrophobicContact CE-CG 3.76Å; M415-K454 HydrophobicContact SD-CD 4.49Å; M415-K454 HydrophobicContact SD-CG 3.46Å; M415-K454 WeakPolarHBondContact SD-CG 3.42Å
455Q87.3Confident78.1Confident40 Ų4062.5 Ų62.519%0.18731%0.306CS..EExtended strand (participates in β ladder)trans-135.6133.9177.3-178.517242.300110.3T260 E261 T414T260-Q455 PolarHBondContact OG1-NE2 3.05Å; E261-Q455 HydrophobicContact CB-CG 4.42Å; T414-Q455 PolarHBondContact N-O 2.92Å; T414-Q455 PolarHBondContact O-N 2.62Å; T414-Q455 VanDerWaalsContact O-O 3.08Å; T414-Q455 PolarHBondContact OG1-O 2.95Å
456L92Very high80.9Confident9 Ų954.3 Ų54.35%0.04727%0.268CS..EExtended strand (participates in β ladder)trans-74.9137.5170.8-74.4175.9000111.1E261 M298 L302 L305 L411 E413E261-L456 PolarHBondContact N-O 3.33Å; M298-L456 HydrophobicContact CB-CD1 4.31Å; M298-L456 HydrophobicContact CE-CB 3.58Å; M298-L456 WeakPolarHBondContact CE-O 3.45Å; L302-L456 HydrophobicContact CB-CD1 4.22Å; L302-L456 HydrophobicContact CD1-CD1 4.2Å; L302-L456 HydrophobicContact CD1-CD2 3.73Å; L302-L456 HydrophobicContact CD1-CG 4.28Å; L302-L456 HydrophobicContact CD2-CD1 4.46Å; L305-L456 HydrophobicContact CD1-CD2 4.27Å; L411-L456 HydrophobicContact CD1-CB 4.43Å; L411-L456 HydrophobicContact CD1-CD2 4.25Å; L411-L456 HydrophobicContact CG-CD2 4.37Å; E413-L456 HydrophobicContact CB-CD2 4.37Å
457S94.2Very high83.3Confident4 Ų449.2 Ų49.23%0.02824%0.238CC..EExtended strand (participates in β ladder)trans-129.2133168.163.10000112I259 L411 V412 N459I259-S457 CarbonylContact O-C 3.08Å; I259-S457 WeakPolarHBondContact O-CA 3.3Å; L411-S457 WeakPolarHBondContact CA-O 3.39Å; V412-S457 WeakPolarHBondContact CG2-OG 3.39Å; V412-S457 PolarHBondContact N-O 3.22Å; V412-S457 PolarHBondContact O-N 3.39Å; S457-N459 PolarHBondContact O-ND2 2.86Å; S457-N459 PolarHBondContact OG-ND2 3.25Å
458L95Very high85.7Confident4 Ų440.5 Ų40.52%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-99.6120.8171.6-174.269000108.4I259 I294 M298 W318 V409 L411 F460I259-L458 HydrophobicContact CB-CB 4.41Å; I259-L458 PolarHBondContact N-O 3.42Å; I259-L458 PolarHBondContact O-N 3.42Å; I294-L458 HydrophobicContact CG2-CD2 3.9Å; M298-L458 HydrophobicContact CE-CB 4.38Å; M298-L458 HydrophobicContact CG-CB 4.32Å; M298-L458 HydrophobicContact SD-CB 4.07Å; W318-L458 HydrophobicContact CZ3-CD1 4.18Å; V409-L458 HydrophobicContact CG1-CD1 3.56Å; V409-L458 HydrophobicContact CG1-CG 4.13Å; L411-L458 HydrophobicContact CB-CD1 4.31Å; L411-L458 HydrophobicContact CD1-CB 4.48Å; L411-L458 HydrophobicContact CD1-CD1 4.42Å; L458-F460 HydrophobicContact CD2-CE2 4.06Å; L458-F460 HydrophobicContact CD2-CZ 4.07Å; L458-F460 HydrophobicContact CG-CE2 4.16Å
459N95.8Very high87.9Confident13 Ų1337.7 Ų37.77%0.0718%0.181CC..EExtended strand (participates in β ladder)trans-117.5132.6-171.4-57.2-92.3000110.4T258 V409 V410 V412 S457 W461T258-N459 WeakPolarHBondContact CB-OD1 3.47Å; T258-N459 WeakPolarHBondContact CG2-OD1 3.32Å; T258-N459 PolarHBondContact OG1-OD1 3.18Å; V409-N459 CarbonylContact C-O 3.5Å; V409-N459 VanDerWaalsContact CA-O 3.29Å; V409-N459 WeakPolarHBondContact CA-O 3.42Å; V410-N459 HydrophobicContact CB-CB 4.47Å; V410-N459 PolarHBondContact N-O 3.1Å; V410-N459 PolarHBondContact O-N 2.79Å; V410-N459 PolarHBondContact O-ND2 2.83Å; V412-N459 WeakPolarHBondContact CG2-ND2 3.4Å; S457-N459 PolarHBondContact O-ND2 2.86Å; S457-N459 PolarHBondContact OG-ND2 3.25Å; N459-W461 HydrophobicContact CB-CZ2 4.47Å; N459-W461 VanDerWaalsContact CB-NE1 3.27Å
460F96.6Very high89.7Confident1 Ų133.4 Ų33.40%0.00417%0.167CC..EExtended strand (participates in β ladder)trans-104.795.8173.1-61.1-101.8000106.7S256 F257 I259 M327 L389 V392 L393 M396 V409 L458S256-F460 CarbonylContact C-O 3.57Å; S256-F460 WeakPolarHBondContact CA-O 3.4Å; S256-F460 VanDerWaalsContact CB-O 3.23Å; S256-F460 WeakPolarHBondContact CB-O 3.47Å; F257-F460 HydrophobicContact CB-CB 4.43Å; F257-F460 HydrophobicContact CD1-CD2 4.4Å; F257-F460 PolarHBondContact N-O 3.26Å; F257-F460 PolarHBondContact O-N 3.4Å; I259-F460 HydrophobicContact CD1-CE2 3.6Å; I259-F460 HydrophobicContact CD1-CZ 4.3Å; I259-F460 HydrophobicContact CG1-CE2 4.12Å; M327-F460 HydrophobicContact CE-CE1 3.8Å; M327-F460 HydrophobicContact CE-CZ 4.02Å; M327-F460 HydrophobicContact SD-CE1 4.46Å; L389-F460 HydrophobicContact CD1-CE2 4.39Å; L389-F460 HydrophobicContact CD1-CZ 4.18Å; V392-F460 HydrophobicContact CG1-CB 4.4Å; V392-F460 HydrophobicContact CG1-CD1 4.23Å; V392-F460 HydrophobicContact CG1-CD2 4.47Å; V392-F460 HydrophobicContact CG1-CG 4.13Å; V392-F460 HydrophobicContact CG2-CB 3.67Å; V392-F460 HydrophobicContact CG2-CD1 4.39Å; V392-F460 HydrophobicContact CG2-CG 4.2Å; L393-F460 HydrophobicContact CD2-CE1 3.95Å; M396-F460 HydrophobicContact CE-CD1 4.48Å; M396-F460 HydrophobicContact SD-CD1 3.85Å; M396-F460 HydrophobicContact SD-CE1 4.43Å; V409-F460 HydrophobicContact CG2-CD1 3.79Å; V409-F460 HydrophobicContact CG2-CE1 3.94Å; L458-F460 HydrophobicContact CD2-CE2 4.06Å; L458-F460 HydrophobicContact CD2-CZ 4.07Å; L458-F460 HydrophobicContact CG-CE2 4.16Å
461W97.4Very high91Very high28 Ų2831.1 Ų31.111%0.10616%0.157CC..EExtended strand (participates in β ladder)trans-91114.3180-63.1-18.4000109.9Y407 R408 V410 N459 L463 P692 Q693 Q696Y407-W461 CarbonylContact C-O 3.58Å; Y407-W461 VanDerWaalsContact CA-O 3.29Å; Y407-W461 WeakPolarHBondContact CA-O 3.36Å; R408-W461 HydrophobicContact CB-CB 4.39Å; R408-W461 HydrophobicContact CB-CE3 4.5Å; R408-W461 PolarHBondContact N-O 3.43Å; R408-W461 PolarHBondContact O-N 3.27Å; V410-W461 HydrophobicContact CB-CD2 4.46Å; V410-W461 HydrophobicContact CB-CE3 4.39Å; V410-W461 HydrophobicContact CB-CH2 4.13Å; V410-W461 HydrophobicContact CB-CZ2 4.2Å; V410-W461 HydrophobicContact CB-CZ3 4.24Å; V410-W461 HydrophobicContact CG1-CH2 3.87Å; V410-W461 HydrophobicContact CG1-CZ2 4.25Å; V410-W461 HydrophobicContact CG1-CZ3 4.21Å; V410-W461 HydrophobicContact CG2-CD2 3.92Å; V410-W461 HydrophobicContact CG2-CE3 3.55Å; V410-W461 HydrophobicContact CG2-CH2 4.03Å; V410-W461 HydrophobicContact CG2-CZ2 4.37Å; V410-W461 HydrophobicContact CG2-CZ3 3.63Å; N459-W461 HydrophobicContact CB-CZ2 4.47Å; N459-W461 VanDerWaalsContact CB-NE1 3.27Å; W461-L463 HydrophobicContact CB-CD2 4.28Å; W461-P692 HydrophobicContact CH2-CB 4.08Å; W461-P692 HydrophobicContact CZ3-CB 4.28Å; W461-Q693 HydrophobicContact CD2-CG 3.87Å; W461-Q693 HydrophobicContact CE3-CG 3.71Å; W461-Q693 HydrophobicContact CH2-CG 3.52Å; W461-Q693 HydrophobicContact CZ2-CG 3.66Å; W461-Q693 HydrophobicContact CZ3-CB 4.31Å; W461-Q693 HydrophobicContact CZ3-CG 3.52Å; W461-Q696 HydrophobicContact CZ3-CG 4.46Å
462C97.5Very high92Very high3 Ų328.3 Ų28.32%0.0214%0.14CC..EExtended strand (participates in β ladder)trans-78.3118164.5-177.90000108.9R252 A255 S256 Y407 N464R252-C462 WeakPolarHBondContact CB-O 3.35Å; R252-C462 WeakPolarHBondContact CD-O 3.35Å; R252-C462 VanDerWaalsContact CG-O 3.27Å; R252-C462 WeakPolarHBondContact CG-O 3.29Å; A255-C462 HydrophobicContact CB-CB 3.63Å; S256-C462 PolarHBondContact OG-N 3.32Å; Y407-C462 HydrophobicContact CD1-CB 4.26Å; Y407-C462 HydrophobicContact CE1-CB 3.7Å; C462-N464 PolarHBondContact SG-O 3.02Å
463L97Very high93.2Very high7 Ų722.3 Ų22.34%0.03711%0.113CC..  trans-92.6-11.8-179.3-58.9-175.3000112.9D406 R408 W461 Q696 K697 F700D406-L463 WeakPolarHBondContact O-CB 3.31Å; D406-L463 PolarHBondContact O-N 3.32Å; R408-L463 HydrophobicContact CG-CD1 3.57Å; R408-L463 HydrophobicContact CG-CG 4.18Å; W461-L463 HydrophobicContact CB-CD2 4.28Å; L463-Q696 HydrophobicContact CD1-CB 4.34Å; L463-K697 HydrophobicContact CB-CD 4.23Å; L463-K697 HydrophobicContact CD2-CB 4.43Å; L463-K697 WeakPolarHBondContact O-CD 3.46Å; L463-K697 WeakPolarHBondContact O-CE 3.44Å; L463-K697 PolarHBondContact O-NZ 2.99Å; L463-F700 HydrophobicContact CB-CB 4.36Å; L463-F700 HydrophobicContact CB-CD1 3.86Å; L463-F700 HydrophobicContact CB-CD2 4.37Å; L463-F700 HydrophobicContact CB-CE1 4.25Å; L463-F700 HydrophobicContact CB-CG 3.93Å; L463-F700 HydrophobicContact CD1-CB 3.55Å; L463-F700 HydrophobicContact CD1-CD2 4.33Å; L463-F700 HydrophobicContact CD1-CG 3.91Å
464N95.9Very high94Very high22 Ų2222.8 Ų22.812%0.11812%0.124CC..  trans-116.8104.2-173.9-171.7-6.1000111D406 C462 S466 V467 F700D406-N464 HydrophobicContact CB-CB 3.76Å; D406-N464 WeakPolarHBondContact OD1-CB 3.48Å; D406-N464 PolarHBondContact OD1-ND2 3.43Å; C462-N464 PolarHBondContact SG-O 3.02Å; N464-S466 PolarHBondContact ND2-OG 2.83Å; N464-S466 VanDerWaalsContact ND2-OG 3.13Å; N464-S466 PolarHBondContact O-N 3.19Å; N464-S466 VanDerWaalsContact O-N 3.13Å; N464-S466 WeakPolarHBondContact OD1-CB 3.41Å; N464-S466 PolarHBondContact OD1-N 3.06Å; N464-S466 VanDerWaalsContact OD1-N 3.14Å; N464-S466 PolarHBondContact OD1-OG 2.84Å; N464-V467 HydrophobicContact CB-CG2 4.08Å; N464-V467 WeakPolarHBondContact O-CG2 3.37Å; N464-V467 PolarHBondContact O-N 2.97Å; N464-F700 HydrophobicContact CB-CE1 4.01Å; N464-F700 HydrophobicContact CB-CZ 3.7Å
465P96.1Very high94.5Very high0 Ų019.9 Ų19.90%011%0.112CC..THydrogen-bonded Turntrans-64.5-20.6-178.626-30.7000113E248 R252 V467 V468 F469 E495 L496E248-P465 HydrophobicContact CB-CG 4.48Å; R252-P465 HydrophobicContact CG-CB 4.2Å; P465-V467 PolarHBondContact O-N 2.66Å; P465-V468 PolarHBondContact O-N 2.92Å; P465-F469 WeakPolarHBondContact O-CB 3.48Å; P465-F469 PolarHBondContact O-N 2.81Å; P465-E495 HydrophobicContact CG-CB 4.14Å; P465-E495 WeakPolarHBondContact CG-O 3.29Å; P465-L496 HydrophobicContact CB-CD2 4.15Å; P465-L496 HydrophobicContact CG-CD2 4.32Å
466S94.9Very high94.9Very high9 Ų918.7 Ų18.76%0.06311%0.11CC..Hα-helixtrans-63.7-21.2178.572.40000114.2N464 V468 S470 L496 N497N464-S466 PolarHBondContact ND2-OG 2.83Å; N464-S466 VanDerWaalsContact ND2-OG 3.13Å; N464-S466 PolarHBondContact O-N 3.19Å; N464-S466 VanDerWaalsContact O-N 3.13Å; N464-S466 WeakPolarHBondContact OD1-CB 3.41Å; N464-S466 PolarHBondContact OD1-N 3.06Å; N464-S466 VanDerWaalsContact OD1-N 3.14Å; N464-S466 PolarHBondContact OD1-OG 2.84Å; S466-V468 PolarHBondContact O-N 2.91Å; S466-V468 VanDerWaalsContact O-N 3.16Å; S466-S470 VanDerWaalsContact O-CB 3.27Å; S466-S470 WeakPolarHBondContact O-CB 3.4Å; S466-S470 PolarHBondContact O-N 3.03Å; S466-S470 VanDerWaalsContact O-N 3.14Å; S466-S470 PolarHBondContact O-OG 3.01Å; S466-L496 VanDerWaalsContact CB-O 3.29Å; S466-L496 WeakPolarHBondContact CB-O 3.23Å; S466-N497 VanDerWaalsContact CB-CB 3.48Å
467V93.1Very high95.2Very high2 Ų218.6 Ų18.61%0.01211%0.109CC..Hα-helixtrans-54-36177.2173.90000111.7Y395 D406 N464 P465Y395-V467 HydrophobicContact CD1-CG1 3.42Å; Y395-V467 VanDerWaalsContact CD1-CG1 3.42Å; Y395-V467 HydrophobicContact CE1-CG1 3.8Å; Y395-V467 HydrophobicContact CG-CG1 4.03Å; D406-V467 HydrophobicContact CB-CG2 3.98Å; N464-V467 HydrophobicContact CB-CG2 4.08Å; N464-V467 WeakPolarHBondContact O-CG2 3.37Å; N464-V467 PolarHBondContact O-N 2.97Å; P465-V467 PolarHBondContact O-N 2.66Å
468V93.7Very high95.3Very high2 Ų218.4 Ų18.41%0.01211%0.107CC..Hα-helixtrans-103.5-49178.2176.70000110.8L222 A255 P465 S466 S470 Q471 L472L222-V468 HydrophobicContact CB-CG1 4.24Å; L222-V468 HydrophobicContact CD2-CG1 4.22Å; L222-V468 WeakPolarHBondContact O-CG1 3.36Å; A255-V468 HydrophobicContact CB-CG2 3.57Å; P465-V468 PolarHBondContact O-N 2.92Å; S466-V468 PolarHBondContact O-N 2.91Å; S466-V468 VanDerWaalsContact O-N 3.16Å; V468-S470 PolarHBondContact O-N 3.26Å; V468-Q471 PolarHBondContact O-N 2.93Å; V468-L472 PolarHBondContact O-N 3.15Å
469F96Very high95.5Very high1 Ų118.2 Ų18.20%0.00411%0.107CC..Hα-helixtrans-69.1-37.8-166.3-169.1-88.8000112.8L222 L241 I247 P465 Q471 L472 A473 V479 L481 L496 V498 F500L222-F469 HydrophobicContact CD2-CD2 4.03Å; L241-F469 HydrophobicContact CD1-CE2 3.79Å; L241-F469 HydrophobicContact CD1-CZ 4.43Å; I247-F469 HydrophobicContact CD1-CD2 4.23Å; I247-F469 HydrophobicContact CD1-CE2 4.01Å; I247-F469 HydrophobicContact CG1-CD2 3.92Å; I247-F469 HydrophobicContact CG1-CE2 3.58Å; I247-F469 HydrophobicContact CG1-CZ 4.49Å; P465-F469 WeakPolarHBondContact O-CB 3.48Å; P465-F469 PolarHBondContact O-N 2.81Å; F469-Q471 VanDerWaalsContact C-N 3.32Å; F469-Q471 PolarHBondContact O-N 3.02Å; F469-L472 PolarHBondContact O-N 3.06Å; F469-A473 HydrophobicContact CD1-CB 4.48Å; F469-A473 HydrophobicContact CE1-CB 4.26Å; F469-A473 WeakPolarHBondContact O-CB 3.27Å; F469-A473 PolarHBondContact O-N 3.03Å; F469-V479 HydrophobicContact CZ-CG1 3.98Å; F469-L481 HydrophobicContact CZ-CD1 4.19Å; F469-L481 HydrophobicContact CZ-CD2 4.13Å; F469-L496 HydrophobicContact CB-CD2 4.12Å; F469-L496 HydrophobicContact CD1-CB 3.77Å; F469-L496 HydrophobicContact CD1-CD1 4.06Å; F469-L496 HydrophobicContact CD1-CD2 3.93Å; F469-L496 HydrophobicContact CD1-CG 4.13Å; F469-L496 HydrophobicContact CD2-CD2 4.16Å; F469-L496 HydrophobicContact CE1-CB 4.09Å; F469-L496 HydrophobicContact CE1-CD1 3.72Å; F469-L496 HydrophobicContact CE1-CD2 4.41Å; F469-L496 HydrophobicContact CE1-CG 4.29Å; F469-L496 HydrophobicContact CE2-CD1 4.42Å; F469-L496 HydrophobicContact CG-CB 4.46Å; F469-L496 HydrophobicContact CG-CD2 3.8Å; F469-L496 HydrophobicContact CG-CG 4.48Å; F469-L496 HydrophobicContact CZ-CD1 3.91Å; F469-V498 HydrophobicContact CD1-CB 4.38Å; F469-V498 HydrophobicContact CD1-CG2 3.71Å; F469-V498 HydrophobicContact CE1-CB 4.19Å; F469-V498 HydrophobicContact CE1-CG1 4.46Å; F469-V498 HydrophobicContact CE1-CG2 3.92Å; F469-F500 HydrophobicContact CE1-CZ 4.19Å; F469-F500 HydrophobicContact CZ-CZ 4.47Å
470S93.5Very high95.6Very high42 Ų4217.6 Ų17.629%0.29410%0.103SC..Hα-helixtrans-63.6-39.6-179.868.40000112S466 V468 A473 S474S466-S470 VanDerWaalsContact O-CB 3.27Å; S466-S470 WeakPolarHBondContact O-CB 3.4Å; S466-S470 PolarHBondContact O-N 3.03Å; S466-S470 VanDerWaalsContact O-N 3.14Å; S466-S470 PolarHBondContact O-OG 3.01Å; V468-S470 PolarHBondContact O-N 3.26Å; S470-A473 PolarHBondContact O-N 3.19Å; S470-S474 WeakPolarHBondContact O-CB 3.43Å; S470-S474 PolarHBondContact O-N 2.75Å
471Q90.8Very high95.7Very high67 Ų6717.6 Ų17.631%0.31310%0.103SC..Hα-helixtrans-63.8-46.4175.1-173.4-179.8-4.300110.8V468 F469 A473 S474 M475V468-Q471 PolarHBondContact O-N 2.93Å; F469-Q471 VanDerWaalsContact C-N 3.32Å; F469-Q471 PolarHBondContact O-N 3.02Å; Q471-A473 PolarHBondContact O-N 2.88Å; Q471-S474 PolarHBondContact O-N 2.77Å; Q471-S474 PolarHBondContact O-OG 2.78Å; Q471-M475 WeakPolarHBondContact O-CG 3.42Å; Q471-M475 PolarHBondContact O-N 3.29Å
472L93.7Very high95.5Very high2 Ų216.2 Ų16.21%0.0110%0.098CC..Hα-helixtrans-59-48.2176.9178.563.9000111.5L221 L222 V234 I239 V468 F469 S474 M475 A476L221-L472 HydrophobicContact CB-CD1 4.5Å; L221-L472 HydrophobicContact CB-CD2 4.04Å; L222-L472 HydrophobicContact CD2-CD2 3.71Å; V234-L472 HydrophobicContact CB-CD1 4.19Å; V234-L472 HydrophobicContact CG1-CD1 4.17Å; V234-L472 HydrophobicContact CG2-CD1 3.91Å; I239-L472 HydrophobicContact CD1-CD1 3.65Å; I239-L472 HydrophobicContact CD1-CD2 4.28Å; I239-L472 HydrophobicContact CD1-CG 3.85Å; V468-L472 PolarHBondContact O-N 3.15Å; F469-L472 PolarHBondContact O-N 3.06Å; L472-S474 VanDerWaalsContact C-N 3.3Å; L472-S474 PolarHBondContact O-N 2.84Å; L472-M475 PolarHBondContact O-N 2.95Å; L472-A476 PolarHBondContact O-N 3.22Å
473A96.1Very high95.3Very high8 Ų816.1 Ų16.17%0.06610%0.097CC..Hα-helixtrans-64.3-33.7179.900000112.9F469 S470 Q471 M475 A476 V479 V498F469-A473 HydrophobicContact CD1-CB 4.48Å; F469-A473 HydrophobicContact CE1-CB 4.26Å; F469-A473 WeakPolarHBondContact O-CB 3.27Å; F469-A473 PolarHBondContact O-N 3.03Å; S470-A473 PolarHBondContact O-N 3.19Å; Q471-A473 PolarHBondContact O-N 2.88Å; A473-M475 VanDerWaalsContact C-N 3.26Å; A473-M475 PolarHBondContact O-N 3.49Å; A473-A476 PolarHBondContact O-N 3Å; A473-V479 HydrophobicContact CB-CG2 3.93Å; A473-V498 HydrophobicContact CB-CB 4.4Å; A473-V498 HydrophobicContact CB-CG1 3.83Å; A473-V498 HydrophobicContact CB-CG2 3.64Å
474S94.8Very high94.8Very high95 Ų9516 Ų1666%0.66410%0.098SC*.Hα-helixtrans-67.7-24.517875.60000114.1S470 Q471 L472S470-S474 WeakPolarHBondContact O-CB 3.43Å; S470-S474 PolarHBondContact O-N 2.75Å; Q471-S474 PolarHBondContact O-N 2.77Å; Q471-S474 PolarHBondContact O-OG 2.78Å; L472-S474 VanDerWaalsContact C-N 3.3Å; L472-S474 PolarHBondContact O-N 2.84Å
475M94.1Very high94.2Very high58 Ų5815.4 Ų15.429%0.28610%0.095SC..Hα-helixtrans-89.1-31180-65.1170.964.200111.8V234 T235 D236 Q471 L472 A473V234-M475 HydrophobicContact CG2-CB 4.11Å; V234-M475 HydrophobicContact CG2-CE 3.51Å; V234-M475 HydrophobicContact CG2-SD 4.07Å; T235-M475 CarbonylContact C-O 3.57Å; T235-M475 VanDerWaalsContact CA-O 3.24Å; T235-M475 WeakPolarHBondContact CA-O 3.38Å; T235-M475 WeakPolarHBondContact OG1-CE 3.43Å; D236-M475 PolarHBondContact N-O 2.9Å; Q471-M475 WeakPolarHBondContact O-CG 3.42Å; Q471-M475 PolarHBondContact O-N 3.29Å; L472-M475 PolarHBondContact O-N 2.95Å; A473-M475 VanDerWaalsContact C-N 3.26Å; A473-M475 PolarHBondContact O-N 3.49Å
476A95.9Very high93.6Very high15 Ų1515.5 Ų15.512%0.12410%0.096CC..SBendtrans-68.6153.3-174.200000112.9H237 I239 L472 A473 C478 V479H237-A476 WeakPolarHBondContact O-CA 3.35Å; I239-A476 HydrophobicContact CD1-CB 3.7Å; I239-A476 HydrophobicContact CG1-CB 4.01Å; L472-A476 PolarHBondContact O-N 3.22Å; A473-A476 PolarHBondContact O-N 3Å; A476-C478 VanDerWaalsContact C-N 3.3Å; A476-V479 HydrophobicContact CB-CG2 3.94Å
477H96.4Very high93Very high7 Ų715.5 Ų15.53%0.03210%0.096CC..SBendtrans-61.6-42.5167.9174100.4000110.8L34 K37 D236 H237 I238L34-H477 PolarHBondContact O-NE2 3.33Å; K37-H477 CarbonylContact C-O 3.54Å; K37-H477 WeakPolarHBondContact CA-O 3.48Å; K37-H477 WeakPolarHBondContact CB-O 3.32Å; K37-H477 VanDerWaalsContact CE-CE1 3.46Å; K37-H477 WeakPolarHBondContact CE-CE1 3.34Å; K37-H477 VanDerWaalsContact CE-ND1 3.33Å; K37-H477 WeakPolarHBondContact CE-ND1 3.49Å; K37-H477 VanDerWaalsContact CG-CE1 3.48Å; K37-H477 WeakPolarHBondContact CG-CE1 3.39Å; D236-H477 IonicContact OD1-ND1 3.51Å; H237-H477 PolarHBondContact O-N 3.22Å; I238-H477 HydrophobicContact CG1-CB 4.32Å
478C97.9Very high92.5Very high0 Ų017.2 Ų17.20%011%0.107CC..EExtended strand (participates in β ladder)trans-165.1156.316663.80000109.5I239 A476I239-C478 PolarHBondContact N-O 3.22Å; A476-C478 VanDerWaalsContact C-N 3.3Å
479V98.2Very high92.2Very high1 Ų117.5 Ų17.51%0.00611%0.108CC..EExtended strand (participates in β ladder)trans-111.8124.1171.2-174.70000110N39 C40 I239 F469 A473 A476 L481N39-V479 CarbonylContact C-O 3.55Å; N39-V479 VanDerWaalsContact CA-O 3.25Å; N39-V479 WeakPolarHBondContact CA-O 3.46Å; N39-V479 WeakPolarHBondContact CB-O 3.39Å; N39-V479 PolarHBondContact OD1-N 3.28Å; C40-V479 PolarHBondContact N-O 3.26Å; I239-V479 HydrophobicContact CB-CG2 4.35Å; I239-V479 HydrophobicContact CG2-CG1 4.48Å; I239-V479 CarbonylContact O-C 3.48Å; I239-V479 WeakPolarHBondContact O-CA 3.42Å; F469-V479 HydrophobicContact CZ-CG1 3.98Å; A473-V479 HydrophobicContact CB-CG2 3.93Å; A476-V479 HydrophobicContact CB-CG2 3.94Å; V479-L481 HydrophobicContact CG1-CD2 3.7Å; V479-L481 HydrophobicContact CG1-CG 4.28Å
480I98.3Very high91.7Very high0 Ų020.7 Ų20.70%013%0.125CC..EExtended strand (participates in β ladder)trans-110.7115.7175.8-56.2180000108V30 L34 C40 L42 L54 I239 I240 L241V30-I480 HydrophobicContact CB-CD1 4.45Å; V30-I480 HydrophobicContact CG1-CD1 3.88Å; V30-I480 HydrophobicContact CG2-CD1 4.46Å; L34-I480 HydrophobicContact CD2-CD1 4.36Å; C40-I480 HydrophobicContact CB-CG1 4.23Å; C40-I480 HydrophobicContact CB-CG2 4.39Å; C40-I480 WeakPolarHBondContact O-CA 3.34Å; L42-I480 HydrophobicContact CD1-CG2 3.66Å; L42-I480 HydrophobicContact CG-CG2 4.41Å; L54-I480 HydrophobicContact CD2-CG2 4Å; I239-I480 PolarHBondContact O-N 2.97Å; I240-I480 WeakPolarHBondContact CA-O 3.33Å; I240-I480 HydrophobicContact CG1-CB 4.36Å; I240-I480 HydrophobicContact CG1-CD1 4.43Å; L241-I480 PolarHBondContact N-O 2.78Å
481L97.7Very high91.6Very high0 Ų019.1 Ų19.10%011%0.114CC..EExtended strand (participates in β ladder)trans-102.3127.2174.8-54.5-171.1000109.6C40 L41 L42 L241 A244 I247 F469 V479 L486 L492 L496 F500C40-L481 PolarHBondContact O-N 3.44Å; L41-L481 HydrophobicContact CD2-CB 3.7Å; L41-L481 HydrophobicContact CD2-CD1 3.67Å; L41-L481 HydrophobicContact CD2-CG 3.97Å; L42-L481 PolarHBondContact N-O 3.07Å; L241-L481 HydrophobicContact CB-CD2 3.63Å; L241-L481 HydrophobicContact CD1-CD2 3.52Å; L241-L481 HydrophobicContact CG-CD2 3.76Å; A244-L481 HydrophobicContact CB-CB 3.78Å; A244-L481 HydrophobicContact CB-CD2 4.15Å; A244-L481 HydrophobicContact CB-CG 4.39Å; I247-L481 HydrophobicContact CG2-CD1 4.43Å; F469-L481 HydrophobicContact CZ-CD1 4.19Å; F469-L481 HydrophobicContact CZ-CD2 4.13Å; V479-L481 HydrophobicContact CG1-CD2 3.7Å; V479-L481 HydrophobicContact CG1-CG 4.28Å; L481-L486 HydrophobicContact CB-CD1 4.49Å; L481-L492 HydrophobicContact CD1-CD2 4.12Å; L481-L496 HydrophobicContact CD1-CD1 3.65Å; L481-F500 HydrophobicContact CD1-CE1 3.87Å; L481-F500 HydrophobicContact CD1-CE2 4.29Å; L481-F500 HydrophobicContact CD1-CZ 3.49Å; L481-F500 VanDerWaalsContact CD1-CZ 3.49Å; L481-F500 HydrophobicContact CG-CE1 3.82Å; L481-F500 HydrophobicContact CG-CZ 3.96Å
482M94.9Very high91.6Very high0 Ų016 Ų160%010%0.1CC..EExtended strand (participates in β ladder)trans-125.7133.8177.7-179.879-111.500110.1M26 L42 S44 K50 L54 L241 D242 E243 A244M26-M482 HydrophobicContact SD-SD 3.61Å; M26-M482 VanDerWaalsContact SD-SD 3.61Å; L42-M482 VanDerWaalsContact C-CE 3.42Å; L42-M482 HydrophobicContact CB-CB 4.47Å; L42-M482 HydrophobicContact CB-CE 3.86Å; L42-M482 HydrophobicContact CB-SD 3.38Å; L42-M482 WeakPolarHBondContact CB-SD 3.38Å; L42-M482 HydrophobicContact CD1-SD 4.2Å; L42-M482 HydrophobicContact CG-SD 4.44Å; L42-M482 WeakPolarHBondContact O-CA 3.39Å; L42-M482 WeakPolarHBondContact O-CE 3.46Å; S44-M482 VanDerWaalsContact CB-CE 3.49Å; K50-M482 HydrophobicContact CB-CG 4.18Å; K50-M482 HydrophobicContact CB-SD 4.31Å; K50-M482 HydrophobicContact CD-CE 3.53Å; K50-M482 HydrophobicContact CD-CG 3.92Å; K50-M482 HydrophobicContact CD-SD 4.14Å; K50-M482 HydrophobicContact CG-CE 3.82Å; K50-M482 HydrophobicContact CG-CG 4.29Å; K50-M482 HydrophobicContact CG-SD 4.09Å; L54-M482 HydrophobicContact CD1-CB 3.75Å; L54-M482 HydrophobicContact CD1-CG 3.83Å; L54-M482 HydrophobicContact CD2-CB 4.44Å; L54-M482 HydrophobicContact CG-CG 4.47Å; L241-M482 PolarHBondContact O-N 2.74Å; D242-M482 CarbonylContact C-O 3.58Å; E243-M482 WeakPolarHBondContact CA-O 3.29Å; E243-M482 PolarHBondContact N-O 3.35Å; A244-M482 PolarHBondContact N-O 3.34Å
483S91.9Very high91.5Very high0 Ų017.5 Ų17.50%011%0.107CC..EExtended strand (participates in β ladder)trans-155.1166159.8-170.10000113L42 E43 S44 E243 H245 T485 L486L42-S483 PolarHBondContact O-N 3.37Å; L42-S483 VanDerWaalsContact O-N 3.14Å; E43-S483 WeakPolarHBondContact CA-O 3.48Å; S44-S483 PolarHBondContact N-O 3.35Å; E243-S483 PolarHBondContact OE2-OG 3.2Å; H245-S483 PolarHBondContact ND1-OG 2.81Å; S483-T485 PolarHBondContact O-N 2.82Å; S483-L486 VanDerWaalsContact CB-CD2 3.46Å
484G86.6Confident91.4Very high5 Ų518.2 Ų18.25%0.05211%0.113CC..THydrogen-bonded Turntrans-60.7-23.5167.200000115.2S44S44-G484 VanDerWaalsContact O-CA 3.27Å; S44-G484 WeakPolarHBondContact O-CA 3.42Å
485T82.7Confident91.3Very high10 Ų1014.2 Ų14.26%0.0618%0.083CC..THydrogen-bonded Turntrans-148.149.7-162.6560000112.4S483 S487 N771 Q772S483-T485 PolarHBondContact O-N 2.82Å; T485-S487 VanDerWaalsContact C-N 3.31Å; T485-N771 HydrophobicContact CG2-CB 3.76Å; T485-Q772 HydrophobicContact CG2-CG 4Å; T485-Q772 VanDerWaalsContact OG1-CG 3.3Å; T485-Q772 WeakPolarHBondContact OG1-CG 3.19Å
486L84.4Confident91.4Very high1 Ų111.4 Ų11.41%0.0057%0.07CC..  trans-74.5-20.1177.9-65.9-176.1000113.5L41 L42 E43 A244 L481 S483 P488 L489 L492L41-L486 HydrophobicContact CD2-CD1 4.49Å; L42-L486 WeakPolarHBondContact O-CD1 3.44Å; E43-L486 HydrophobicContact CB-CB 4.32Å; A244-L486 HydrophobicContact CB-CD2 4.05Å; L481-L486 HydrophobicContact CB-CD1 4.49Å; S483-L486 VanDerWaalsContact CB-CD2 3.46Å; L486-P488 CarbonylContact O-C 3.57Å; L486-L489 HydrophobicContact CB-CD2 3.39Å; L486-L489 HydrophobicContact CD1-CD2 4.36Å; L486-L492 HydrophobicContact CD1-CD2 4.42Å; L486-L492 HydrophobicContact CD2-CD2 3.88Å
487S82.4Confident91.2Very high10 Ų1014.8 Ų14.87%0.079%0.086CC..  trans-55.3137178.7-81.70000113.2E43 T485E43-S487 VanDerWaalsContact CD-OG 3.31Å; E43-S487 PolarHBondContact OE1-OG 2.78Å; E43-S487 WeakPolarHBondContact OE2-CA 3.46Å; E43-S487 WeakPolarHBondContact OE2-CB 3.46Å; E43-S487 PolarHBondContact OE2-N 2.94Å; E43-S487 PolarHBondContact OE2-OG 2.79Å; T485-S487 VanDerWaalsContact C-N 3.31Å
488P83.4Confident91.2Very high37 Ų3715.1 Ų15.124%0.249%0.088CC..SBendcis-75.3128.7-5.4-15.431.3000113.1L486 D490 S491L486-P488 CarbonylContact O-C 3.57Å; P488-D490 PolarHBondContact O-N 3.28Å; P488-S491 WeakPolarHBondContact O-CB 3.11Å; P488-S491 PolarHBondContact O-N 3.44Å
489L86.4Confident91Very high9 Ų920.3 Ų20.35%0.04711%0.112CC..Hα-helixtrans-63.4-39.5-176.9-61.4-174000113.4L41 E43 L486 S491 L492 E493 R503 E505L41-L489 HydrophobicContact CB-CD2 4.49Å; L41-L489 HydrophobicContact CD1-CB 4.09Å; L41-L489 HydrophobicContact CD1-CD2 4.4Å; E43-L489 HydrophobicContact CB-CD2 4.45Å; L486-L489 HydrophobicContact CB-CD2 3.39Å; L486-L489 HydrophobicContact CD1-CD2 4.36Å; L489-S491 PolarHBondContact O-N 2.97Å; L489-L492 WeakPolarHBondContact O-CB 3.13Å; L489-L492 PolarHBondContact O-N 2.77Å; L489-L492 VanDerWaalsContact O-N 3.14Å; L489-E493 PolarHBondContact O-N 2.85Å; L489-E493 VanDerWaalsContact O-N 3.07Å; L489-R503 HydrophobicContact CD1-CB 4.38Å; L489-E505 HydrophobicContact CD1-CG 3.77Å; L489-E505 HydrophobicContact CG-CG 4.4Å
490D86.6Confident90.9Very high68 Ų6820.3 Ų20.336%0.36411%0.112SC..Hα-helixtrans-63.9-29.9179.5-70.6-31.1000112.3P488 L492 A494 R503 K754P488-D490 PolarHBondContact O-N 3.28Å; D490-L492 VanDerWaalsContact C-N 3.35Å; D490-A494 VanDerWaalsContact O-CB 3.25Å; D490-A494 WeakPolarHBondContact O-CB 3.36Å; D490-A494 PolarHBondContact O-N 2.83Å; D490-R503 IonicContact OD1-CZ 3.72Å; D490-R503 IonicContact OD1-NH1 3.98Å; D490-R503 PolarHBondContact OD1-NH1 2.7Å; D490-R503 IonicContact OD1-NH2 3.59Å; D490-K754 HydrophobicContact CB-CD 4.42Å
491S89.7Confident90.8Very high9 Ų923.9 Ų23.96%0.06314%0.136CC..Hα-helixtrans-68.4-38.6176.2-600000111.4P488 L489 E495P488-S491 WeakPolarHBondContact O-CB 3.11Å; P488-S491 PolarHBondContact O-N 3.44Å; L489-S491 PolarHBondContact O-N 2.97Å; S491-E495 WeakPolarHBondContact O-CG 3.39Å; S491-E495 PolarHBondContact O-N 3.22Å
492L91.1Very high90.7Very high1 Ų124.3 Ų24.31%0.00514%0.138CC..Hα-helixtrans-67.4-46177.1-174.764.6000111.7L41 I247 E248 L481 L486 L489 D490 A494 E495 L496L41-L492 HydrophobicContact CD2-CD2 3.92Å; I247-L492 HydrophobicContact CG2-CD1 3.75Å; E248-L492 HydrophobicContact CG-CD1 3.69Å; E248-L492 WeakPolarHBondContact OE1-CD1 3.26Å; L481-L492 HydrophobicContact CD1-CD2 4.12Å; L486-L492 HydrophobicContact CD1-CD2 4.42Å; L486-L492 HydrophobicContact CD2-CD2 3.88Å; L489-L492 WeakPolarHBondContact O-CB 3.13Å; L489-L492 PolarHBondContact O-N 2.77Å; L489-L492 VanDerWaalsContact O-N 3.14Å; D490-L492 VanDerWaalsContact C-N 3.35Å; L492-A494 VanDerWaalsContact C-N 3.33Å; L492-A494 PolarHBondContact O-N 3.43Å; L492-E495 PolarHBondContact O-N 3.02Å; L492-L496 HydrophobicContact CD1-CD1 3.86Å; L492-L496 HydrophobicContact CD1-CG 4.17Å; L492-L496 HydrophobicContact CG-CD1 3.92Å; L492-L496 HydrophobicContact CG-CG 4.49Å; L492-L496 WeakPolarHBondContact O-CB 3.3Å; L492-L496 VanDerWaalsContact O-CG 3.32Å; L492-L496 WeakPolarHBondContact O-CG 3.49Å; L492-L496 PolarHBondContact O-N 3.01Å
493E92.9Very high90.7Very high33 Ų3326.8 Ų26.815%0.15415%0.147CC..Hα-helixtrans-58.9-43.9175.3169159.9138.200111.8L489 N497 V498 F500 R503L489-E493 PolarHBondContact O-N 2.85Å; L489-E493 VanDerWaalsContact O-N 3.07Å; E493-N497 PolarHBondContact O-N 2.97Å; E493-V498 WeakPolarHBondContact CG-O 3.44Å; E493-F500 HydrophobicContact CB-CD2 4.22Å; E493-F500 HydrophobicContact CG-CD2 4.44Å; E493-F500 PolarHBondContact OE2-N 3.28Å; E493-R503 IonicContact OE1-NH2 2.87Å; E493-R503 PolarHBondContact OE1-NH2 3.49Å; E493-R503 VanDerWaalsContact OE1-NH2 3.11Å; E493-R503 IonicContact OE2-CZ 2.68Å; E493-R503 IonicContact OE2-NE 2.77Å; E493-R503 IonicContact OE2-NH2 3.77Å; E493-R503 PolarHBondContact OE2-NH2 3Å
494A92.6Very high90.8Very high23 Ų2328.1 Ų28.119%0.1915%0.154CC..Hα-helixtrans-63.3-45178.300000112.7D490 L492 N497 K754 L756D490-A494 VanDerWaalsContact O-CB 3.25Å; D490-A494 WeakPolarHBondContact O-CB 3.36Å; D490-A494 PolarHBondContact O-N 2.83Å; L492-A494 VanDerWaalsContact C-N 3.33Å; L492-A494 PolarHBondContact O-N 3.43Å; A494-N497 PolarHBondContact O-N 3.14Å; A494-K754 HydrophobicContact CB-CB 4.5Å; A494-K754 VanDerWaalsContact CB-O 3.22Å; A494-K754 WeakPolarHBondContact CB-O 3.27Å; A494-L756 HydrophobicContact CB-CD1 4.37Å; A494-L756 HydrophobicContact CB-CD2 4.28Å; A494-L756 HydrophobicContact CB-CG 3.86Å
495E94Very high91.1Very high11 Ų1131 Ų315%0.05117%0.166CC..Hα-helixtrans-67.4-43.6179.5-77.2-75.3131.900112.1E248 R252 P465 S491 L492 N497 K697 N701 L756E248-E495 HydrophobicContact CG-CB 4.19Å; R252-E495 IonicContact NH1-OE2 2.79Å; R252-E495 PolarHBondContact NH1-OE2 2.97Å; P465-E495 HydrophobicContact CG-CB 4.14Å; P465-E495 WeakPolarHBondContact CG-O 3.29Å; S491-E495 WeakPolarHBondContact O-CG 3.39Å; S491-E495 PolarHBondContact O-N 3.22Å; L492-E495 PolarHBondContact O-N 3.02Å; E495-N497 VanDerWaalsContact C-N 3.25Å; E495-N497 PolarHBondContact O-N 3.32Å; E495-K697 VanDerWaalsContact CD-NZ 3.32Å; E495-K697 IonicContact OE1-NZ 2.97Å; E495-K697 PolarHBondContact OE1-NZ 2.79Å; E495-K697 VanDerWaalsContact OE1-NZ 3.08Å; E495-K697 VanDerWaalsContact OE2-CE 3.24Å; E495-K697 WeakPolarHBondContact OE2-CE 3.42Å; E495-K697 IonicContact OE2-NZ 3.45Å; E495-K697 PolarHBondContact OE2-NZ 2.83Å; E495-N701 PolarHBondContact OE1-ND2 3.44Å; E495-L756 HydrophobicContact CG-CD1 3.95Å
496L95.2Very high91.3Very high0 Ų031 Ų310%017%0.167CC..Hα-helixtrans-73.8-18.5-179.9-63.9179.7000113I247 E248 P465 S466 F469 L481 L492 V498 F500I247-L496 HydrophobicContact CG2-CD1 3.94Å; I247-L496 HydrophobicContact CG2-CD2 4.24Å; E248-L496 HydrophobicContact CG-CD2 4.42Å; P465-L496 HydrophobicContact CB-CD2 4.15Å; P465-L496 HydrophobicContact CG-CD2 4.32Å; S466-L496 VanDerWaalsContact CB-O 3.29Å; S466-L496 WeakPolarHBondContact CB-O 3.23Å; F469-L496 HydrophobicContact CB-CD2 4.12Å; F469-L496 HydrophobicContact CD1-CB 3.77Å; F469-L496 HydrophobicContact CD1-CD1 4.06Å; F469-L496 HydrophobicContact CD1-CD2 3.93Å; F469-L496 HydrophobicContact CD1-CG 4.13Å; F469-L496 HydrophobicContact CD2-CD2 4.16Å; F469-L496 HydrophobicContact CE1-CB 4.09Å; F469-L496 HydrophobicContact CE1-CD1 3.72Å; F469-L496 HydrophobicContact CE1-CD2 4.41Å; F469-L496 HydrophobicContact CE1-CG 4.29Å; F469-L496 HydrophobicContact CE2-CD1 4.42Å; F469-L496 HydrophobicContact CG-CB 4.46Å; F469-L496 HydrophobicContact CG-CD2 3.8Å; F469-L496 HydrophobicContact CG-CG 4.48Å; F469-L496 HydrophobicContact CZ-CD1 3.91Å; L481-L496 HydrophobicContact CD1-CD1 3.65Å; L492-L496 HydrophobicContact CD1-CD1 3.86Å; L492-L496 HydrophobicContact CD1-CG 4.17Å; L492-L496 HydrophobicContact CG-CD1 3.92Å; L492-L496 HydrophobicContact CG-CG 4.49Å; L492-L496 WeakPolarHBondContact O-CB 3.3Å; L492-L496 VanDerWaalsContact O-CG 3.32Å; L492-L496 WeakPolarHBondContact O-CG 3.49Å; L492-L496 PolarHBondContact O-N 3.01Å; L496-V498 PolarHBondContact O-N 3.39Å; L496-F500 HydrophobicContact CD1-CE2 4.29Å; L496-F500 HydrophobicContact CD1-CZ 4.33Å
497N93Very high91.2Very high86 Ų8635.4 Ų35.446%0.4619%0.191SC..THydrogen-bonded Turntrans52.242.3-174.9-167.226.1000112.2S466 E493 A494 E495S466-N497 VanDerWaalsContact CB-CB 3.48Å; E493-N497 PolarHBondContact O-N 2.97Å; A494-N497 PolarHBondContact O-N 3.14Å; E495-N497 VanDerWaalsContact C-N 3.25Å; E495-N497 PolarHBondContact O-N 3.32Å
498V94.9Very high91.2Very high14 Ų1435.5 Ų35.59%0.08519%0.19CC..  trans-132128.3178.7171.20000108N39 F469 A473 E493 L496 F500N39-V498 VanDerWaalsContact ND2-CG1 3.29Å; N39-V498 WeakPolarHBondContact ND2-CG1 3.04Å; F469-V498 HydrophobicContact CD1-CB 4.38Å; F469-V498 HydrophobicContact CD1-CG2 3.71Å; F469-V498 HydrophobicContact CE1-CB 4.19Å; F469-V498 HydrophobicContact CE1-CG1 4.46Å; F469-V498 HydrophobicContact CE1-CG2 3.92Å; A473-V498 HydrophobicContact CB-CB 4.4Å; A473-V498 HydrophobicContact CB-CG1 3.83Å; A473-V498 HydrophobicContact CB-CG2 3.64Å; E493-V498 WeakPolarHBondContact CG-O 3.44Å; L496-V498 PolarHBondContact O-N 3.39Å; V498-F500 HydrophobicContact CB-CE2 3.99Å; V498-F500 HydrophobicContact CB-CZ 4.32Å; V498-F500 HydrophobicContact CG1-CE2 3.94Å; V498-F500 HydrophobicContact CG1-CZ 3.95Å; V498-F500 WeakPolarHBondContact O-CD2 3.34Å; V498-F500 VanDerWaalsContact O-CE2 3.24Å; V498-F500 WeakPolarHBondContact O-CE2 3.22Å
499Q94.8Very high91.1Very high108 Ų10836 Ų3651%0.50519%0.193SC..  trans-73.6134.2178.7-68.6-176.5-12.600111.1N39 P501N39-Q499 WeakPolarHBondContact CB-O 3.32Å; N39-Q499 PolarHBondContact ND2-O 2.92Å; Q499-P501 WeakPolarHBondContact O-CD 3.21Å
500F96Very high91.2Very high1 Ų135.9 Ų35.90%0.00419%0.192CC..  trans-119.283.9171.9-64.5-89.9000109.7N39 L41 F469 L481 E493 L496 V498 L502 R503N39-F500 HydrophobicContact CB-CD1 3.51Å; N39-F500 HydrophobicContact CB-CE1 3.77Å; N39-F500 HydrophobicContact CB-CG 4.26Å; L41-F500 HydrophobicContact CB-CB 4.43Å; L41-F500 HydrophobicContact CD1-CB 3.9Å; L41-F500 HydrophobicContact CD1-CD2 3.99Å; L41-F500 HydrophobicContact CD1-CG 3.95Å; L41-F500 HydrophobicContact CD2-CB 4.38Å; L41-F500 HydrophobicContact CD2-CD1 3.63Å; L41-F500 HydrophobicContact CD2-CD2 3.91Å; L41-F500 HydrophobicContact CD2-CE1 3.77Å; L41-F500 HydrophobicContact CD2-CE2 4.04Å; L41-F500 HydrophobicContact CD2-CG 3.72Å; L41-F500 HydrophobicContact CD2-CZ 3.99Å; L41-F500 HydrophobicContact CG-CB 3.54Å; L41-F500 HydrophobicContact CG-CD1 3.68Å; L41-F500 HydrophobicContact CG-CD2 3.88Å; L41-F500 HydrophobicContact CG-CE1 4.34Å; L41-F500 HydrophobicContact CG-CG 3.43Å; L41-F500 VanDerWaalsContact CG-CG 3.43Å; F469-F500 HydrophobicContact CE1-CZ 4.19Å; F469-F500 HydrophobicContact CZ-CZ 4.47Å; L481-F500 HydrophobicContact CD1-CE1 3.87Å; L481-F500 HydrophobicContact CD1-CE2 4.29Å; L481-F500 HydrophobicContact CD1-CZ 3.49Å; L481-F500 VanDerWaalsContact CD1-CZ 3.49Å; L481-F500 HydrophobicContact CG-CE1 3.82Å; L481-F500 HydrophobicContact CG-CZ 3.96Å; E493-F500 HydrophobicContact CB-CD2 4.22Å; E493-F500 HydrophobicContact CG-CD2 4.44Å; E493-F500 PolarHBondContact OE2-N 3.28Å; L496-F500 HydrophobicContact CD1-CE2 4.29Å; L496-F500 HydrophobicContact CD1-CZ 4.33Å; V498-F500 HydrophobicContact CB-CE2 3.99Å; V498-F500 HydrophobicContact CB-CZ 4.32Å; V498-F500 HydrophobicContact CG1-CE2 3.94Å; V498-F500 HydrophobicContact CG1-CZ 3.95Å; V498-F500 WeakPolarHBondContact O-CD2 3.34Å; V498-F500 VanDerWaalsContact O-CE2 3.24Å; V498-F500 WeakPolarHBondContact O-CE2 3.22Å; F500-L502 PolarHBondContact O-N 3.31Å; F500-R503 WeakPolarHBondContact O-CG 3.42Å; F500-R503 PolarHBondContact O-NE 3.34Å
501P95.5Very high91.1Very high76 Ų7635.1 Ų35.149%0.49419%0.191SC..  trans-64.3-29.2-178.526.2-35.7000112.5Q38 N39 Q499Q38-P501 HydrophobicContact CB-CG 3.94Å; Q38-P501 HydrophobicContact CG-CG 4.05Å; N39-P501 WeakPolarHBondContact O-CD 3.32Å; Q499-P501 WeakPolarHBondContact O-CD 3.21Å
502L96.9Very high90.9Very high8 Ų840.6 Ų40.64%0.04222%0.22CC..EExtended strand (participates in β ladder)trans-95.5126.8175.8-58.2177.4000109.6E32 S33 Q38 N39 C40 L41 F500E32-L502 HydrophobicContact CB-CD1 4.13Å; E32-L502 VanDerWaalsContact CD-CD2 3.48Å; E32-L502 HydrophobicContact CG-CD1 3.85Å; E32-L502 HydrophobicContact CG-CD2 3.97Å; E32-L502 WeakPolarHBondContact OE2-CD2 3.39Å; S33-L502 VanDerWaalsContact N-CD1 3.33Å; Q38-L502 HydrophobicContact CB-CD1 4.03Å; Q38-L502 HydrophobicContact CB-CG 4.33Å; N39-L502 PolarHBondContact O-N 3.41Å; C40-L502 CarbonylContact C-O 3.58Å; C40-L502 WeakPolarHBondContact CA-O 3.14Å; C40-L502 HydrophobicContact CB-CB 4.05Å; L41-L502 PolarHBondContact N-O 2.99Å; F500-L502 PolarHBondContact O-N 3.31Å
503R94.7Very high90.9Very high52 Ų5245.1 Ų45.120%0.19625%0.248CC..EExtended strand (participates in β ladder)trans-140.9146.6-178.9-55.5-174.7-172.6172.8-2.9111.1L41 L489 D490 E493 F500 R751L41-R503 HydrophobicContact CB-CG 4.38Å; L41-R503 CarbonylContact O-C 3.5Å; L41-R503 VanDerWaalsContact O-CA 3.26Å; L41-R503 WeakPolarHBondContact O-CA 3.5Å; L489-R503 HydrophobicContact CD1-CB 4.38Å; D490-R503 IonicContact OD1-CZ 3.72Å; D490-R503 IonicContact OD1-NH1 3.98Å; D490-R503 PolarHBondContact OD1-NH1 2.7Å; D490-R503 IonicContact OD1-NH2 3.59Å; E493-R503 IonicContact OE1-NH2 2.87Å; E493-R503 PolarHBondContact OE1-NH2 3.49Å; E493-R503 VanDerWaalsContact OE1-NH2 3.11Å; E493-R503 IonicContact OE2-CZ 2.68Å; E493-R503 IonicContact OE2-NE 2.77Å; E493-R503 IonicContact OE2-NH2 3.77Å; E493-R503 PolarHBondContact OE2-NH2 3Å; F500-R503 WeakPolarHBondContact O-CG 3.42Å; F500-R503 PolarHBondContact O-NE 3.34Å; R503-R751 VanDerWaalsContact NH1-NH1 3.14Å
504L93.5Very high91Very high28 Ų2845.3 Ų45.315%0.14725%0.247CC..EExtended strand (participates in β ladder)trans-144.9125.6171.9-178.766.8000110.1M26 R29 L41 L42 E43 A506M26-L504 VanDerWaalsContact CA-CD2 3.46Å; M26-L504 HydrophobicContact CB-CD2 3.91Å; R29-L504 HydrophobicContact CG-CB 4.25Å; R29-L504 HydrophobicContact CG-CD2 4.48Å; L41-L504 PolarHBondContact O-N 3.24Å; L42-L504 HydrophobicContact CD2-CB 3.73Å; L42-L504 HydrophobicContact CD2-CD2 4.21Å; E43-L504 PolarHBondContact N-O 3.45Å; L504-A506 HydrophobicContact CD2-CB 4.43Å; L504-A506 HydrophobicContact CG-CB 4.4Å
505E91.7Very high91.1Very high66 Ų6644.5 Ų44.531%0.30824%0.24SC..EExtended strand (participates in β ladder)trans-107.697.6161.7-69.1173.5-128.400107.4E43 L489 R807E43-E505 HydrophobicContact CB-CG 4.36Å; L489-E505 HydrophobicContact CD1-CG 3.77Å; L489-E505 HydrophobicContact CG-CG 4.4Å; E505-R807 WeakPolarHBondContact OE2-CB 3.29Å
506A86.8Confident91.2Very high9 Ų944.4 Ų44.47%0.07424%0.24CC..PPolyproline II helixtrans-73.7136.6-176.200000111.3C22 E43 P45 L504C22-A506 HydrophobicContact CB-CB 4.04Å; E43-A506 PolarHBondContact O-N 3.35Å; P45-A506 WeakPolarHBondContact CD-O 3.46Å; L504-A506 HydrophobicContact CD2-CB 4.43Å; L504-A506 HydrophobicContact CG-CB 4.4Å
507N83.6Confident91.4Very high95 Ų9544.4 Ų44.451%0.50824%0.24SC..PPolyproline II helixtrans-67.3154166-69.7-31000110.4
508H81.8Confident91.6Very high12 Ų1240.4 Ų40.46%0.05622%0.218CC..PPolyproline II helixtrans-71.9147.5172.5-159-64.8000110.7P45 T46 I510 I778 W808P45-H508 WeakPolarHBondContact CB-CD2 3.48Å; P45-H508 HydrophobicContact CG-CB 4.04Å; T46-H508 PolarHBondContact O-NE2 3Å; H508-I510 HydrophobicContact CB-CG2 3.91Å; H508-I510 WeakPolarHBondContact ND1-CB 3.08Å; H508-I510 VanDerWaalsContact ND1-CG2 3.27Å; H508-I510 WeakPolarHBondContact ND1-CG2 3.4Å; H508-I510 PolarHBondContact ND1-N 3.36Å; H508-I510 VanDerWaalsContact ND1-N 3.11Å; H508-I510 PolarHBondContact O-N 3.35Å; H508-I778 WeakPolarHBondContact CE1-CG2 3.14Å; H508-I778 VanDerWaalsContact NE2-CG2 3.32Å; H508-I778 WeakPolarHBondContact NE2-CG2 3.46Å; H508-W808 HydrophobicContact CB-CB 4.43Å; H508-W808 HydrophobicContact CB-CE3 4.18Å
509V82.6Confident91.8Very high48 Ų4839.8 Ų39.829%0.29121%0.214SC..SBendtrans-71.5-9.4178.5-166.20000113.2Y20 C22 T48 A781Y20-V509 HydrophobicContact CD1-CG1 3.44Å; Y20-V509 VanDerWaalsContact CD1-CG1 3.44Å; Y20-V509 HydrophobicContact CD2-CG1 4.09Å; Y20-V509 HydrophobicContact CD2-CG2 3.99Å; Y20-V509 HydrophobicContact CE1-CG1 3.8Å; Y20-V509 HydrophobicContact CE2-CG1 4.4Å; Y20-V509 HydrophobicContact CG-CB 4.49Å; Y20-V509 HydrophobicContact CG-CG1 3.61Å; Y20-V509 HydrophobicContact CG-CG2 3.98Å; C22-V509 WeakPolarHBondContact SG-CG2 3.43Å; T48-V509 HydrophobicContact CG2-CG2 4.22Å; V509-A781 HydrophobicContact CG1-CB 4.23Å
510I86.7Confident92Very high6 Ų634.6 Ų34.63%0.03119%0.19CC..SBendtrans-79.5144.5-173-167.8168.1000109.9H508 R514 I778 D783 R812H508-I510 HydrophobicContact CB-CG2 3.91Å; H508-I510 WeakPolarHBondContact ND1-CB 3.08Å; H508-I510 VanDerWaalsContact ND1-CG2 3.27Å; H508-I510 WeakPolarHBondContact ND1-CG2 3.4Å; H508-I510 PolarHBondContact ND1-N 3.36Å; H508-I510 VanDerWaalsContact ND1-N 3.11Å; H508-I510 PolarHBondContact O-N 3.35Å; I510-R514 HydrophobicContact CD1-CB 3.61Å; I510-R514 HydrophobicContact CG1-CB 3.61Å; I510-I778 HydrophobicContact CD1-CD1 3.74Å; I510-I778 HydrophobicContact CD1-CG1 4.14Å; I510-I778 HydrophobicContact CD1-CG2 3.75Å; I510-D783 WeakPolarHBondContact CD1-O 3.49Å; I510-R812 PolarHBondContact O-NH2 3.48Å
511S85.7Confident92.1Very high51 Ų5134.6 Ų34.636%0.35719%0.19SC..  trans-62.3154.9173.867.10000111.1T513 R514S511-T513 PolarHBondContact O-N 3.01Å; S511-T513 PolarHBondContact OG-OG1 2.82Å; S511-R514 PolarHBondContact O-N 2.82Å; S511-R514 WeakPolarHBondContact OG-CG 3.46Å
512N85.2Confident92.2Very high124 Ų12433.5 Ų33.566%0.66318%0.179SC*.THydrogen-bonded Turntrans-65.3-18176.2-71.6-14.9000113R812N512-R812 PolarHBondContact OD1-NE 2.97Å; N512-R812 PolarHBondContact OD1-NH2 2.95Å
513T91.3Very high92.3Very high97 Ų9733.2 Ų33.260%0.59518%0.178SC*.THydrogen-bonded Turntrans-80-21.9179.354.90000113.6S511 F829 H833S511-T513 PolarHBondContact O-N 3.01Å; S511-T513 PolarHBondContact OG-OG1 2.82Å; T513-F829 VanDerWaalsContact O-CE2 3.28Å; T513-F829 WeakPolarHBondContact O-CE2 3.35Å; T513-H833 PolarHBondContact O-CE1 3.27Å; T513-H833 PolarHBondContact O-NE2 3.01Å
514R94Very high92.4Very high37 Ų3732.4 Ų32.414%0.1418%0.179CC..SBendtrans-95.7-4.2-172.9-71.7178.6174.2-104.3-7.6115.1I510 S511 N782 W784 G785 H833 E836 E840I510-R514 HydrophobicContact CD1-CB 3.61Å; I510-R514 HydrophobicContact CG1-CB 3.61Å; S511-R514 PolarHBondContact O-N 2.82Å; S511-R514 WeakPolarHBondContact OG-CG 3.46Å; R514-N782 PolarHBondContact NH1-O 3.13Å; R514-W784 HydrophobicContact CB-CB 3.97Å; R514-W784 HydrophobicContact CG-CB 4.31Å; R514-W784 CarbonylContact O-C 3.57Å; R514-W784 WeakPolarHBondContact O-CA 3.46Å; R514-W784 VanDerWaalsContact O-CB 3.31Å; R514-W784 WeakPolarHBondContact O-CB 3.46Å; R514-G785 PolarHBondContact O-N 2.97Å; R514-H833 WeakPolarHBondContact CA-NE2 3.46Å; R514-E836 IonicContact NH2-OE2 3.35Å; R514-E840 IonicContact NH2-OE1 2.65Å
515L95.2Very high92.6Very high6 Ų636.9 Ų36.93%0.03120%0.203CC..EExtended strand (participates in β ladder)trans-129.9112.9177.2176.864.7000110.3V517 I778 G785 I787 W808L515-V517 HydrophobicContact CD1-CG2 4.3Å; L515-V517 HydrophobicContact CD2-CG2 4.03Å; L515-V517 HydrophobicContact CG-CG2 3.86Å; L515-I778 HydrophobicContact CD1-CD1 4.22Å; L515-I778 HydrophobicContact CD1-CG1 3.95Å; L515-G785 WeakPolarHBondContact CA-O 3.48Å; L515-I787 HydrophobicContact CD1-CD1 4.16Å; L515-I787 HydrophobicContact CD1-CG1 4.3Å; L515-W808 HydrophobicContact CD2-CE3 3.94Å; L515-W808 HydrophobicContact CD2-CZ3 3.52Å
516L97.4Very high92.8Very high9 Ų936.2 Ų36.25%0.04721%0.213CC..EExtended strand (participates in β ladder)trans-96.1114.7172.5175.260.3000109.9T518 G785 S786 I787 Q825 L826 F829L516-T518 HydrophobicContact CD1-CG2 3.76Å; L516-T518 HydrophobicContact CD2-CG2 4.27Å; L516-T518 HydrophobicContact CG-CG2 3.86Å; L516-G785 PolarHBondContact N-O 3.34Å; L516-G785 VanDerWaalsContact N-O 3.08Å; L516-S786 CarbonylContact O-C 3.42Å; L516-S786 VanDerWaalsContact O-CA 3.26Å; L516-S786 WeakPolarHBondContact O-CA 3.37Å; L516-I787 PolarHBondContact O-N 3.2Å; L516-Q825 HydrophobicContact CD1-CG 4.02Å; L516-Q825 HydrophobicContact CD2-CG 4.26Å; L516-L826 HydrophobicContact CD2-CB 4.44Å; L516-L826 HydrophobicContact CD2-CD1 4.04Å; L516-F829 HydrophobicContact CB-CD1 3.97Å; L516-F829 HydrophobicContact CB-CD2 3.71Å; L516-F829 HydrophobicContact CB-CE1 4.04Å; L516-F829 HydrophobicContact CB-CE2 3.76Å; L516-F829 HydrophobicContact CB-CG 3.81Å; L516-F829 HydrophobicContact CB-CZ 3.95Å; L516-F829 HydrophobicContact CD2-CB 3.77Å; L516-F829 HydrophobicContact CD2-CD1 4.13Å; L516-F829 HydrophobicContact CD2-CD2 4.49Å; L516-F829 HydrophobicContact CD2-CG 3.89Å; L516-F829 HydrophobicContact CG-CG 4.46Å
517V97.6Very high93.3Very high0 Ų038 Ų380%022%0.224CC..EExtended strand (participates in β ladder)trans-108.8122.6173.8-174.30000109L515 I787 I809 R812 V813 N814L515-V517 HydrophobicContact CD1-CG2 4.3Å; L515-V517 HydrophobicContact CD2-CG2 4.03Å; L515-V517 HydrophobicContact CG-CG2 3.86Å; V517-I787 HydrophobicContact CG1-CB 4.42Å; V517-I787 HydrophobicContact CG1-CG2 4.47Å; V517-I787 HydrophobicContact CG2-CD1 4.47Å; V517-I809 HydrophobicContact CB-CG2 4.4Å; V517-I809 HydrophobicContact CG1-CG2 3.5Å; V517-I809 HydrophobicContact CG2-CG2 4.05Å; V517-R812 HydrophobicContact CB-CB 4.46Å; V517-R812 HydrophobicContact CG2-CB 4.09Å; V517-V813 HydrophobicContact CG1-CB 4.3Å; V517-V813 HydrophobicContact CG1-CG2 4.19Å; V517-N814 PolarHBondContact O-N 2.78Å
518T98.4Very high93.9Very high2 Ų237.9 Ų37.91%0.01222%0.216CC..EExtended strand (participates in β ladder)trans-128.5149.8-179.260.40000111.1L516 I787 I788 L789 N814 L822L516-T518 HydrophobicContact CD1-CG2 3.76Å; L516-T518 HydrophobicContact CD2-CG2 4.27Å; L516-T518 HydrophobicContact CG-CG2 3.86Å; T518-I787 PolarHBondContact N-O 3.21Å; T518-I787 PolarHBondContact OG1-O 3.42Å; T518-I788 WeakPolarHBondContact OG1-CG1 3.41Å; T518-L789 PolarHBondContact O-N 3.4Å; T518-N814 CarbonylContact C-O 3.55Å; T518-N814 VanDerWaalsContact CA-O 3.32Å; T518-N814 WeakPolarHBondContact CA-O 3.39Å; T518-N814 HydrophobicContact CG2-CB 4.48Å; T518-L822 HydrophobicContact CG2-CG 4.44Å
519T98.5Very high94.7Very high0 Ų037.3 Ų37.30%021%0.213CC..EExtended strand (participates in β ladder)trans-119.5142.216855.10000108.3L789 F794 V795 M802 V813 N814 H815 H816T519-L789 WeakPolarHBondContact CA-O 3.43Å; T519-L789 HydrophobicContact CG2-CB 3.83Å; T519-L789 HydrophobicContact CG2-CD1 3.85Å; T519-L789 HydrophobicContact CG2-CG 4.27Å; T519-F794 HydrophobicContact CG2-CB 3.66Å; T519-F794 HydrophobicContact CG2-CG 4.28Å; T519-V795 WeakPolarHBondContact OG1-CG2 3.19Å; T519-M802 HydrophobicContact CG2-SD 4.17Å; T519-V813 HydrophobicContact CG2-CG2 3.52Å; T519-N814 PolarHBondContact N-O 2.82Å; T519-N814 PolarHBondContact OG1-O 3.25Å; T519-H815 WeakPolarHBondContact OG1-CA 3.46Å; T519-H815 PolarHBondContact OG1-ND1 3.3Å; T519-H816 WeakPolarHBondContact O-CB 3.16Å; T519-H816 PolarHBondContact O-N 2.89Å
520L98.6Very high95.3Very high0 Ų035.4 Ų35.40%020%0.202CC..EExtended strand (participates in β ladder)trans-127.7124.3-175.3-174.466.8000110.4H522 L529 V548 I788 L789 D791 H816 W819 L822L520-H522 WeakPolarHBondContact CD1-O 3.24Å; L520-H522 WeakPolarHBondContact CG-O 3.37Å; L520-L529 HydrophobicContact CB-CD1 4.49Å; L520-L529 HydrophobicContact CD2-CD1 3.69Å; L520-L529 HydrophobicContact CG-CD1 3.91Å; L520-V548 HydrophobicContact CD2-CG1 4.15Å; L520-V548 HydrophobicContact CD2-CG2 3.84Å; L520-I788 HydrophobicContact CB-CG2 4.44Å; L520-L789 PolarHBondContact N-O 3.37Å; L520-D791 CarbonylContact O-C 3.59Å; L520-D791 PolarHBondContact O-N 2.71Å; L520-H816 HydrophobicContact CD1-CB 4.18Å; L520-W819 HydrophobicContact CD2-CE3 3.9Å; L520-W819 HydrophobicContact CD2-CZ3 4.4Å; L520-L822 HydrophobicContact CB-CD1 3.9Å; L520-L822 HydrophobicContact CD1-CB 4.28Å; L520-L822 HydrophobicContact CD1-CD1 3.9Å; L520-L822 HydrophobicContact CD2-CD1 4.29Å; L520-L822 HydrophobicContact CG-CD1 4.25Å
521S98.3Very high95.7Very high1 Ų135.4 Ų35.41%0.00720%0.203CC..SBendtrans-98-27.3176.8570000115.1R528 L529 H816 C817S521-R528 CarbonylContact O-C 3.51Å; S521-R528 WeakPolarHBondContact O-CA 3.46Å; S521-L529 PolarHBondContact O-N 3.39Å; S521-H816 PolarHBondContact N-O 3.32Å; S521-H816 VanDerWaalsContact N-O 3.11Å; S521-H816 PolarHBondContact OG-O 3.3Å; S521-C817 WeakPolarHBondContact OG-CA 3.33Å
522H98.5Very high96Very high53 Ų5334.5 Ų34.525%0.24520%0.196CC..BIsolated β-bridgetrans-133.5137.6179.6-58.172.7000109.9L520 G526 T527 C817 W819L520-H522 WeakPolarHBondContact CD1-O 3.24Å; L520-H522 WeakPolarHBondContact CG-O 3.37Å; H522-G526 PolarHBondContact CD2-O 3.3Å; H522-T527 VanDerWaalsContact CA-O 3.29Å; H522-T527 WeakPolarHBondContact CA-O 3.46Å; H522-C817 WeakPolarHBondContact CB-O 3.34Å; H522-C817 PolarHBondContact ND1-O 3.24Å; H522-C817 VanDerWaalsContact ND1-O 3.12Å; H522-W819 PolarHBondContact O-N 2.99Å
523G98Very high96Very high2 Ų237.1 Ų37.12%0.02120%0.197CC..  trans-81.9-168.118000000113.6N525 G526 T527 E544G523-N525 VanDerWaalsContact C-N 3.27Å; G523-N525 PolarHBondContact O-N 3.2Å; G523-G526 PolarHBondContact O-N 2.87Å; G523-T527 PolarHBondContact N-O 3.04Å; G523-E544 WeakPolarHBondContact CA-OE1 3.29Å; G523-E544 PolarHBondContact N-OE1 2.98Å
524P97.6Very high95.7Very high34 Ų3439.9 Ų39.922%0.22120%0.204CC..THydrogen-bonded Turntrans-59.7-29.9-175.8-26.235.4000115.2G526 A547 V548 N551 W819P524-G526 VanDerWaalsContact C-N 3.31Å; P524-A547 HydrophobicContact CB-CB 4.32Å; P524-A547 HydrophobicContact CG-CB 3.82Å; P524-V548 HydrophobicContact CG-CG2 4.46Å; P524-N551 VanDerWaalsContact CG-ND2 3.32Å; P524-N551 WeakPolarHBondContact CG-ND2 3.33Å; P524-W819 HydrophobicContact CB-CB 4.32Å; P524-W819 HydrophobicContact CB-CG 4.09Å; P524-W819 HydrophobicContact CG-CB 4.14Å; P524-W819 HydrophobicContact CG-CD2 3.94Å; P524-W819 HydrophobicContact CG-CE3 4.49Å; P524-W819 HydrophobicContact CG-CG 3.71Å
525N97.1Very high95.6Very high123 Ų12341.8 Ų41.866%0.65821%0.214SC*.THydrogen-bonded Turntrans-96.513.8179.4-50.7-67.9000111.8G523 T527 E544G523-N525 VanDerWaalsContact C-N 3.27Å; G523-N525 PolarHBondContact O-N 3.2Å; N525-T527 PolarHBondContact O-N 2.79Å; N525-E544 VanDerWaalsContact CB-OE2 3.31Å; N525-E544 WeakPolarHBondContact CB-OE2 3.46Å; N525-E544 PolarHBondContact N-OE1 3.02Å; N525-E544 PolarHBondContact ND2-OE2 3.2Å
526G96.2Very high95.5Very high51 Ų5142.4 Ų42.453%0.52622%0.216SC..SBendtrans73.311.6-17900000113.8H522 G523 P524 E544H522-G526 PolarHBondContact CD2-O 3.3Å; G523-G526 PolarHBondContact O-N 2.87Å; P524-G526 VanDerWaalsContact C-N 3.31Å; G526-E544 PolarHBondContact N-OE1 2.89Å
527T97.1Very high95.1Very high47 Ų4744.9 Ų44.929%0.28823%0.23SC..  trans-79.2132.6178-62.90000109.9H522 G523 N525 L529 E544H522-T527 VanDerWaalsContact CA-O 3.29Å; H522-T527 WeakPolarHBondContact CA-O 3.46Å; G523-T527 PolarHBondContact N-O 3.04Å; N525-T527 PolarHBondContact O-N 2.79Å; T527-L529 PolarHBondContact O-N 3.15Å; T527-E544 HydrophobicContact CG2-CB 4.32Å; T527-E544 HydrophobicContact CG2-CG 4.37Å; T527-E544 PolarHBondContact N-OE1 3.27Å
528R97.3Very high95Very high92 Ų9247.3 Ų47.335%0.34725%0.245SC..BIsolated β-bridgetrans-65.2125.1178.3-173.5176.3173.4-84.1-4.9111.6S521 C530 A792 E796S521-R528 CarbonylContact O-C 3.51Å; S521-R528 WeakPolarHBondContact O-CA 3.46Å; R528-C530 PolarHBondContact O-N 3.31Å; R528-A792 HydrophobicContact CG-CB 3.83Å; R528-E796 IonicContact CZ-OE1 2.75Å; R528-E796 IonicContact CZ-OE2 3.81Å; R528-E796 IonicContact NE-OE1 3.08Å; R528-E796 PolarHBondContact NE-OE1 2.94Å; R528-E796 IonicContact NE-OE2 3.16Å; R528-E796 PolarHBondContact NE-OE2 3.45Å; R528-E796 IonicContact NH2-OE1 3.47Å; R528-E796 IonicContact NH2-OE2 2.77Å; R528-E796 PolarHBondContact NH2-OE2 3.33Å
529L97.7Very high95Very high0 Ų054.3 Ų54.30%027%0.272CS..  trans-8993-177.7-60.3179.5000110.8L520 S521 T527 E544 I545 V548 A790 D791 A792L520-L529 HydrophobicContact CB-CD1 4.49Å; L520-L529 HydrophobicContact CD2-CD1 3.69Å; L520-L529 HydrophobicContact CG-CD1 3.91Å; S521-L529 PolarHBondContact O-N 3.39Å; T527-L529 PolarHBondContact O-N 3.15Å; L529-E544 HydrophobicContact CD2-CB 3.96Å; L529-E544 HydrophobicContact CD2-CG 3.46Å; L529-E544 VanDerWaalsContact CD2-CG 3.46Å; L529-I545 HydrophobicContact CD1-CD1 4.4Å; L529-I545 HydrophobicContact CD2-CD1 3.75Å; L529-I545 HydrophobicContact CD2-CG1 4.25Å; L529-I545 HydrophobicContact CG-CD1 4.49Å; L529-V548 HydrophobicContact CD1-CG2 3.96Å; L529-A790 HydrophobicContact CD1-CB 4.37Å; L529-D791 CarbonylContact O-C 3.59Å; L529-D791 WeakPolarHBondContact O-CA 3.39Å; L529-A792 WeakPolarHBondContact O-CB 3.5Å; L529-A792 PolarHBondContact O-N 3.34Å
530C95.6Very high94.9Very high8 Ų858.5 Ų58.55%0.05430%0.298CS..  trans-119.999.8176.4-165.90000111.1R528 T532 H535R528-C530 PolarHBondContact O-N 3.31Å; C530-T532 PolarHBondContact O-N 3.35Å; C530-H535 HydrophobicContact CB-CB 4.42Å; C530-H535 WeakPolarHBondContact O-CB 3.45Å
531A93.9Very high94.8Very high6 Ų658.6 Ų58.65%0.0530%0.298CS..  trans-8458.2-176.800000111.4F541 I682 D791 R793A531-F541 HydrophobicContact CB-CE2 4.05Å; A531-F541 HydrophobicContact CB-CZ 3.59Å; A531-I682 HydrophobicContact CB-CG2 4.29Å; A531-D791 WeakPolarHBondContact CB-OD2 3.48Å; A531-D791 PolarHBondContact N-OD2 3.36Å; A531-R793 PolarHBondContact O-NH2 2.93Å
532T92.2Very high94.8Very high33 Ų3359 Ų5920%0.20230%0.3CS..SBendtrans-102160172.155.60000109.9C530 Q534 H535 Q536C530-T532 PolarHBondContact O-N 3.35Å; T532-Q534 PolarHBondContact O-N 3.23Å; T532-Q534 VanDerWaalsContact O-N 3.1Å; T532-H535 PolarHBondContact O-N 3.46Å; T532-H535 PolarHBondContact OG1-ND1 2.78Å; T532-Q536 WeakPolarHBondContact O-CB 3.36Å; T532-Q536 WeakPolarHBondContact O-CG 3.36Å; T532-Q536 PolarHBondContact O-N 3.14Å
533Y85.7Confident94.8Very high178 Ų17858.6 Ų58.670%0.69830%0.3SS*.THydrogen-bonded Turntrans-53.4-36-179.7-176.7-95.7000113.4N537Y533-N537 PolarHBondContact O-ND2 3.05Å
534Q85.9Confident94.8Very high156 Ų15658.6 Ų58.673%0.72930%0.299SS*.THydrogen-bonded Turntrans-66.2-37178.6-67.6174.7-900112.9T532T532-Q534 PolarHBondContact O-N 3.23Å; T532-Q534 VanDerWaalsContact O-N 3.1Å
535H91.7Very high94.8Very high77 Ų7757 Ų5736%0.35629%0.289SS..THydrogen-bonded Turntrans-102.5-29.6-169.5-65.193.3000113C530 T532 N537 T538 F541C530-H535 HydrophobicContact CB-CB 4.42Å; C530-H535 WeakPolarHBondContact O-CB 3.45Å; T532-H535 PolarHBondContact O-N 3.46Å; T532-H535 PolarHBondContact OG1-ND1 2.78Å; H535-N537 PolarHBondContact O-N 3.5Å; H535-T538 WeakPolarHBondContact O-CB 3.45Å; H535-T538 WeakPolarHBondContact O-CG2 3.46Å; H535-T538 PolarHBondContact O-N 3.27Å; H535-T538 PolarHBondContact O-OG1 2.97Å; H535-F541 WeakPolarHBondContact O-CB 3.38Å
536Q92.2Very high94.9Very high18 Ų1851.3 Ų51.38%0.08426%0.259CS..THydrogen-bonded Turntrans-62.5-20.2-176.474-178.86.800114T532 F541 Q542 L569T532-Q536 WeakPolarHBondContact O-CB 3.36Å; T532-Q536 WeakPolarHBondContact O-CG 3.36Å; T532-Q536 PolarHBondContact O-N 3.14Å; Q536-F541 HydrophobicContact CB-CD1 4.3Å; Q536-F541 HydrophobicContact CB-CE1 4.11Å; Q536-Q542 PolarHBondContact O-NE2 3.12Å; Q536-Q542 VanDerWaalsContact O-NE2 3.11Å; Q536-L569 HydrophobicContact CB-CD1 3.84Å; Q536-L569 HydrophobicContact CB-CD2 4.47Å; Q536-L569 HydrophobicContact CG-CD1 4.2Å
537N89.4Confident95Very high61 Ų6149.6 Ų49.633%0.32624%0.24SC..THydrogen-bonded Turntrans-84.6-9.4177.4-65.2-42.6000113.1Y533 H535 Q542 K572Y533-N537 PolarHBondContact O-ND2 3.05Å; H535-N537 PolarHBondContact O-N 3.5Å; N537-Q542 PolarHBondContact O-NE2 3.22Å; N537-K572 PolarHBondContact OD1-NZ 3.09Å
538T96.1Very high95.1Very high52 Ų5247.4 Ų47.432%0.31923%0.226SC..SBendtrans-78137.517965.80000110.6H535 T540 F541 Q542H535-T538 WeakPolarHBondContact O-CB 3.45Å; H535-T538 WeakPolarHBondContact O-CG2 3.46Å; H535-T538 PolarHBondContact O-N 3.27Å; H535-T538 PolarHBondContact O-OG1 2.97Å; T538-T540 PolarHBondContact O-N 2.96Å; T538-T540 PolarHBondContact OG1-OG1 3.01Å; T538-F541 PolarHBondContact O-N 3.33Å; T538-F541 VanDerWaalsContact OG1-CB 3.25Å; T538-F541 WeakPolarHBondContact OG1-CB 3.29Å; T538-F541 PolarHBondContact OG1-N 2.98Å; T538-Q542 VanDerWaalsContact O-CG 3.31Å; T538-Q542 WeakPolarHBondContact O-CG 3.49Å; T538-Q542 PolarHBondContact O-N 3.14Å; T538-Q542 VanDerWaalsContact O-N 3.14Å
539Y96.8Very high95.1Very high148 Ų14843.1 Ų43.158%0.5821%0.211SC*.Hα-helixtrans-63.2-33.1176.5-66.8-33.7000112.5F541 Q542 D543Y539-F541 PolarHBondContact O-N 3.23Å; Y539-Q542 PolarHBondContact O-N 2.88Å; Y539-D543 WeakPolarHBondContact O-CB 3.27Å; Y539-D543 PolarHBondContact O-N 2.98Å
540T96.8Very high95.1Very high88 Ų8843.5 Ų43.554%0.5421%0.213SC..Hα-helixtrans-58.6-46.717549.20000111.9T538 E544T538-T540 PolarHBondContact O-N 2.96Å; T538-T540 PolarHBondContact OG1-OG1 3.01Å; T540-E544 VanDerWaalsContact O-CB 3.23Å; T540-E544 WeakPolarHBondContact O-CB 3.44Å; T540-E544 PolarHBondContact O-N 2.87Å
541F97.4Very high95.3Very high3 Ų344.6 Ų44.61%0.01322%0.218CC..Hα-helixtrans-63.5-44.3174.6174.2-94.1000112A531 H535 Q536 T538 Y539 E544 I545 I682A531-F541 HydrophobicContact CB-CE2 4.05Å; A531-F541 HydrophobicContact CB-CZ 3.59Å; H535-F541 WeakPolarHBondContact O-CB 3.38Å; Q536-F541 HydrophobicContact CB-CD1 4.3Å; Q536-F541 HydrophobicContact CB-CE1 4.11Å; T538-F541 PolarHBondContact O-N 3.33Å; T538-F541 VanDerWaalsContact OG1-CB 3.25Å; T538-F541 WeakPolarHBondContact OG1-CB 3.29Å; T538-F541 PolarHBondContact OG1-N 2.98Å; Y539-F541 PolarHBondContact O-N 3.23Å; F541-E544 PolarHBondContact O-N 3.44Å; F541-I545 HydrophobicContact CD1-CG1 4.27Å; F541-I545 HydrophobicContact CD2-CG1 4.25Å; F541-I545 HydrophobicContact CE1-CG1 3.8Å; F541-I545 HydrophobicContact CE2-CD1 3.97Å; F541-I545 HydrophobicContact CE2-CG1 3.77Å; F541-I545 HydrophobicContact CG-CG1 4.49Å; F541-I545 HydrophobicContact CZ-CD1 3.9Å; F541-I545 HydrophobicContact CZ-CG1 3.52Å; F541-I545 WeakPolarHBondContact O-CG1 3.31Å; F541-I545 PolarHBondContact O-N 3.21Å; F541-I682 HydrophobicContact CZ-CG2 4.12Å
542Q97.9Very high95.5Very high8 Ų844.3 Ų44.34%0.03722%0.215CC..Hα-helixtrans-64.4-43.5-177.3-66.4171.61100112.2Q536 N537 T538 Y539 G546 L573 R576 W577Q536-Q542 PolarHBondContact O-NE2 3.12Å; Q536-Q542 VanDerWaalsContact O-NE2 3.11Å; N537-Q542 PolarHBondContact O-NE2 3.22Å; T538-Q542 VanDerWaalsContact O-CG 3.31Å; T538-Q542 WeakPolarHBondContact O-CG 3.49Å; T538-Q542 PolarHBondContact O-N 3.14Å; T538-Q542 VanDerWaalsContact O-N 3.14Å; Y539-Q542 PolarHBondContact O-N 2.88Å; Q542-G546 PolarHBondContact O-N 3.1Å; Q542-G546 VanDerWaalsContact O-N 3.08Å; Q542-L573 HydrophobicContact CB-CD2 3.62Å; Q542-L573 HydrophobicContact CG-CD2 3.6Å; Q542-R576 HydrophobicContact CB-CB 4.4Å; Q542-R576 HydrophobicContact CB-CG 3.88Å; Q542-W577 PolarHBondContact O-NE1 2.83Å
543D98.1Very high95.7Very high45 Ų4542.7 Ų42.724%0.24121%0.206CC..Hα-helixtrans-67.6-40.5177.4-63.6-18.1000110.6Y539 G546 A547 R576Y539-D543 WeakPolarHBondContact O-CB 3.27Å; Y539-D543 PolarHBondContact O-N 2.98Å; D543-G546 WeakPolarHBondContact O-CA 3.43Å; D543-G546 PolarHBondContact O-N 3.45Å; D543-A547 PolarHBondContact O-N 2.75Å; D543-R576 WeakPolarHBondContact OD1-CG 3.4Å; D543-R576 IonicContact OD1-CZ 2.78Å; D543-R576 IonicContact OD1-NE 2.73Å; D543-R576 PolarHBondContact OD1-NE 3.11Å; D543-R576 IonicContact OD1-NH2 3.12Å; D543-R576 PolarHBondContact OD1-NH2 3.25Å; D543-R576 IonicContact OD2-CZ 2.68Å; D543-R576 IonicContact OD2-NE 3.59Å; D543-R576 IonicContact OD2-NH2 2.87Å; D543-R576 PolarHBondContact OD2-NH2 3.41Å
544E98.2Very high96.3Very high3 Ų341.2 Ų41.21%0.01420%0.199CC..Hα-helixtrans-66.7-42.4179.7-166.975162.400112.6G523 N525 G526 T527 L529 T540 F541 G546 A547 V548G523-E544 WeakPolarHBondContact CA-OE1 3.29Å; G523-E544 PolarHBondContact N-OE1 2.98Å; N525-E544 VanDerWaalsContact CB-OE2 3.31Å; N525-E544 WeakPolarHBondContact CB-OE2 3.46Å; N525-E544 PolarHBondContact N-OE1 3.02Å; N525-E544 PolarHBondContact ND2-OE2 3.2Å; G526-E544 PolarHBondContact N-OE1 2.89Å; T527-E544 HydrophobicContact CG2-CB 4.32Å; T527-E544 HydrophobicContact CG2-CG 4.37Å; T527-E544 PolarHBondContact N-OE1 3.27Å; L529-E544 HydrophobicContact CD2-CB 3.96Å; L529-E544 HydrophobicContact CD2-CG 3.46Å; L529-E544 VanDerWaalsContact CD2-CG 3.46Å; T540-E544 VanDerWaalsContact O-CB 3.23Å; T540-E544 WeakPolarHBondContact O-CB 3.44Å; T540-E544 PolarHBondContact O-N 2.87Å; F541-E544 PolarHBondContact O-N 3.44Å; E544-G546 VanDerWaalsContact C-N 3.28Å; E544-G546 PolarHBondContact O-N 3.13Å; E544-A547 WeakPolarHBondContact O-CB 3.36Å; E544-A547 PolarHBondContact O-N 3.36Å; E544-V548 WeakPolarHBondContact O-CG2 3.27Å; E544-V548 PolarHBondContact O-N 2.93Å
545I98.3Very high96.7Very high1 Ų135.4 Ų35.41%0.00517%0.173CC..Hα-helixtrans-62.1-40172.4-68.2-66.5000110.5L529 F541 A547 V548 V549 W577 I682 A790L529-I545 HydrophobicContact CD1-CD1 4.4Å; L529-I545 HydrophobicContact CD2-CD1 3.75Å; L529-I545 HydrophobicContact CD2-CG1 4.25Å; L529-I545 HydrophobicContact CG-CD1 4.49Å; F541-I545 HydrophobicContact CD1-CG1 4.27Å; F541-I545 HydrophobicContact CD2-CG1 4.25Å; F541-I545 HydrophobicContact CE1-CG1 3.8Å; F541-I545 HydrophobicContact CE2-CD1 3.97Å; F541-I545 HydrophobicContact CE2-CG1 3.77Å; F541-I545 HydrophobicContact CG-CG1 4.49Å; F541-I545 HydrophobicContact CZ-CD1 3.9Å; F541-I545 HydrophobicContact CZ-CG1 3.52Å; F541-I545 WeakPolarHBondContact O-CG1 3.31Å; F541-I545 PolarHBondContact O-N 3.21Å; I545-A547 VanDerWaalsContact C-N 3.3Å; I545-A547 PolarHBondContact O-N 3.34Å; I545-V548 WeakPolarHBondContact O-CB 3.3Å; I545-V548 PolarHBondContact O-N 3.45Å; I545-V549 HydrophobicContact CG2-CG2 4.41Å; I545-V549 WeakPolarHBondContact O-CG2 3.19Å; I545-V549 PolarHBondContact O-N 3.16Å; I545-W577 HydrophobicContact CB-CZ2 4.41Å; I545-W577 HydrophobicContact CG2-CH2 4.25Å; I545-W577 HydrophobicContact CG2-CZ2 3.87Å; I545-I682 HydrophobicContact CD1-CG1 4.46Å; I545-I682 HydrophobicContact CD1-CG2 3.96Å; I545-I682 HydrophobicContact CG1-CG2 4.36Å; I545-I682 HydrophobicContact CG2-CD1 3.44Å; I545-I682 VanDerWaalsContact CG2-CD1 3.44Å; I545-I682 HydrophobicContact CG2-CG1 4.04Å; I545-I682 HydrophobicContact CG2-CG2 4.39Å; I545-A790 HydrophobicContact CD1-CB 4.36Å
546G98.3Very high97Very high2 Ų231.9 Ų31.92%0.02116%0.156CC..Hα-helixtrans-57.9-43.6174.200000112Q542 D543 E544 V549 V550Q542-G546 PolarHBondContact O-N 3.1Å; Q542-G546 VanDerWaalsContact O-N 3.08Å; D543-G546 WeakPolarHBondContact O-CA 3.43Å; D543-G546 PolarHBondContact O-N 3.45Å; E544-G546 VanDerWaalsContact C-N 3.28Å; E544-G546 PolarHBondContact O-N 3.13Å; G546-V549 PolarHBondContact O-N 2.74Å; G546-V550 WeakPolarHBondContact O-CB 3.27Å; G546-V550 VanDerWaalsContact O-CG2 3.32Å; G546-V550 WeakPolarHBondContact O-CG2 3.43Å; G546-V550 PolarHBondContact O-N 3.1Å
547A98.3Very high97Very high16 Ų1632.6 Ų32.613%0.13216%0.163CC..Hα-helixtrans-64.4-42.4176.100000112.5P524 D543 E544 I545 V549 V550 N551P524-A547 HydrophobicContact CB-CB 4.32Å; P524-A547 HydrophobicContact CG-CB 3.82Å; D543-A547 PolarHBondContact O-N 2.75Å; E544-A547 WeakPolarHBondContact O-CB 3.36Å; E544-A547 PolarHBondContact O-N 3.36Å; I545-A547 VanDerWaalsContact C-N 3.3Å; I545-A547 PolarHBondContact O-N 3.34Å; A547-V549 PolarHBondContact O-N 2.82Å; A547-V550 PolarHBondContact O-N 3.15Å; A547-N551 WeakPolarHBondContact O-CB 3.3Å; A547-N551 PolarHBondContact O-N 3.24Å
548V98.6Very high97.3Very high1 Ų129.8 Ų29.81%0.00615%0.148CC..Hα-helixtrans-56.8-49.5172.9170.50000110.7L520 P524 L529 E544 I545 A552 W819L520-V548 HydrophobicContact CD2-CG1 4.15Å; L520-V548 HydrophobicContact CD2-CG2 3.84Å; P524-V548 HydrophobicContact CG-CG2 4.46Å; L529-V548 HydrophobicContact CD1-CG2 3.96Å; E544-V548 WeakPolarHBondContact O-CG2 3.27Å; E544-V548 PolarHBondContact O-N 2.93Å; I545-V548 WeakPolarHBondContact O-CB 3.3Å; I545-V548 PolarHBondContact O-N 3.45Å; V548-A552 VanDerWaalsContact O-CB 3.24Å; V548-A552 WeakPolarHBondContact O-CB 3.1Å; V548-A552 PolarHBondContact O-N 2.96Å; V548-W819 HydrophobicContact CG1-CE3 4.41Å; V548-W819 HydrophobicContact CG1-CZ3 3.95Å; V548-W819 HydrophobicContact CG2-CE3 4.42Å
549V98.5Very high97.3Very high2 Ų227.3 Ų27.31%0.01213%0.133CC..Hα-helixtrans-64.6-47.7-178.2173.70000111.1I545 G546 A547 N551 A552 C553 W577 L586 I656 F658 I680I545-V549 HydrophobicContact CG2-CG2 4.41Å; I545-V549 WeakPolarHBondContact O-CG2 3.19Å; I545-V549 PolarHBondContact O-N 3.16Å; G546-V549 PolarHBondContact O-N 2.74Å; A547-V549 PolarHBondContact O-N 2.82Å; V549-N551 PolarHBondContact O-N 3.11Å; V549-A552 PolarHBondContact O-N 3.15Å; V549-C553 WeakPolarHBondContact O-CB 3.41Å; V549-C553 PolarHBondContact O-N 3.43Å; V549-C553 PolarHBondContact O-SG 2.81Å; V549-C553 VanDerWaalsContact O-SG 3.32Å; V549-W577 HydrophobicContact CG2-CH2 4.49Å; V549-L586 HydrophobicContact CG1-CD1 4.19Å; V549-L586 HydrophobicContact CG1-CD2 4.07Å; V549-I656 HydrophobicContact CG1-CD1 3.57Å; V549-F658 HydrophobicContact CG1-CE1 4.23Å; V549-F658 HydrophobicContact CG1-CZ 3.97Å; V549-I680 HydrophobicContact CG2-CD1 4.23Å
550V98.3Very high97.4Very high7 Ų720.2 Ų20.24%0.04211%0.105CC..Hα-helixtrans-59.8-48.9178.5168.50000110.9G546 A547 C553 R554 L582 L586 I589G546-V550 WeakPolarHBondContact O-CB 3.27Å; G546-V550 VanDerWaalsContact O-CG2 3.32Å; G546-V550 WeakPolarHBondContact O-CG2 3.43Å; G546-V550 PolarHBondContact O-N 3.1Å; A547-V550 PolarHBondContact O-N 3.15Å; V550-C553 PolarHBondContact O-N 3.43Å; V550-R554 WeakPolarHBondContact O-CG 3.3Å; V550-R554 PolarHBondContact O-N 3.29Å; V550-R554 VanDerWaalsContact O-N 3.1Å; V550-L582 HydrophobicContact CG2-CD2 4.36Å; V550-L586 HydrophobicContact CG2-CB 4.2Å; V550-L586 HydrophobicContact CG2-CD1 4.29Å; V550-I589 HydrophobicContact CG1-CD1 3.99Å
551N98.2Very high97.4Very high31 Ų3116.1 Ų16.117%0.1668%0.08CC..Hα-helixtrans-66.4-41.1-179.1-72.5-14000111.4P524 A547 V549 C553 R554 L555 W819P524-N551 VanDerWaalsContact CG-ND2 3.32Å; P524-N551 WeakPolarHBondContact CG-ND2 3.33Å; A547-N551 WeakPolarHBondContact O-CB 3.3Å; A547-N551 PolarHBondContact O-N 3.24Å; V549-N551 PolarHBondContact O-N 3.11Å; N551-C553 PolarHBondContact O-N 3.39Å; N551-R554 WeakPolarHBondContact O-CB 3.27Å; N551-R554 PolarHBondContact O-N 3.04Å; N551-R554 PolarHBondContact OD1-NH1 3.32Å; N551-L555 WeakPolarHBondContact O-CG 3.18Å; N551-W819 HydrophobicContact CB-CH2 3.98Å; N551-W819 HydrophobicContact CB-CZ2 3.25Å
552A98.2Very high97.5Very high0 Ų016 Ų160%08%0.079CC..Hα-helixtrans-60.6-44.9174.300000112V548 V549 R554 L555 V556 L678 I680 I788 W819V548-A552 VanDerWaalsContact O-CB 3.24Å; V548-A552 WeakPolarHBondContact O-CB 3.1Å; V548-A552 PolarHBondContact O-N 2.96Å; V549-A552 PolarHBondContact O-N 3.15Å; A552-R554 VanDerWaalsContact C-N 3.25Å; A552-R554 PolarHBondContact O-N 3.3Å; A552-L555 PolarHBondContact O-N 3.31Å; A552-V556 WeakPolarHBondContact O-CG2 3.48Å; A552-V556 PolarHBondContact O-N 3.39Å; A552-L678 HydrophobicContact CB-CD2 3.71Å; A552-I680 HydrophobicContact CB-CD1 4.16Å; A552-I788 HydrophobicContact CB-CD1 4.25Å; A552-W819 HydrophobicContact CB-CH2 3.89Å
553C97.9Very high97.5Very high0 Ų015.6 Ų15.60%08%0.078CC..Hα-helixtrans-64.6-24.7178.8-75.90000114.1V549 V550 N551 L555 L586 I589 K590V549-C553 WeakPolarHBondContact O-CB 3.41Å; V549-C553 PolarHBondContact O-N 3.43Å; V549-C553 PolarHBondContact O-SG 2.81Å; V549-C553 VanDerWaalsContact O-SG 3.32Å; V550-C553 PolarHBondContact O-N 3.43Å; N551-C553 PolarHBondContact O-N 3.39Å; C553-L555 VanDerWaalsContact C-N 3.31Å; C553-L586 HydrophobicContact CB-CD1 3.83Å; C553-I589 HydrophobicContact CB-CG2 4.22Å; C553-I589 VanDerWaalsContact O-CG2 3.27Å; C553-I589 WeakPolarHBondContact O-CG2 3.25Å; C553-K590 HydrophobicContact CB-CG 3.85Å; C553-K590 WeakPolarHBondContact O-CE 3.14Å
554R96.3Very high97.5Very high147 Ų14713.5 Ų13.556%0.5557%0.066SC*.Hα-helixtrans-68.6-31.9172-71.8172.5176.6165-5.1112.5V550 N551 A552 I589V550-R554 WeakPolarHBondContact O-CG 3.3Å; V550-R554 PolarHBondContact O-N 3.29Å; V550-R554 VanDerWaalsContact O-N 3.1Å; N551-R554 WeakPolarHBondContact O-CB 3.27Å; N551-R554 PolarHBondContact O-N 3.04Å; N551-R554 PolarHBondContact OD1-NH1 3.32Å; A552-R554 VanDerWaalsContact C-N 3.25Å; A552-R554 PolarHBondContact O-N 3.3Å; R554-I589 HydrophobicContact CG-CD1 3.59Å; R554-I589 HydrophobicContact CG-CG1 4.33Å
555L96.4Very high97.4Very high34 Ų3414.6 Ų14.618%0.1787%0.073CC..Hα-helixtrans-87.9-40.5-175-55.3175.8000111.5N551 A552 C553 W819 E823 L826 Q827 I830N551-L555 WeakPolarHBondContact O-CG 3.18Å; A552-L555 PolarHBondContact O-N 3.31Å; C553-L555 VanDerWaalsContact C-N 3.31Å; L555-W819 HydrophobicContact CD1-CZ2 4.2Å; L555-E823 HydrophobicContact CD1-CB 4.4Å; L555-E823 HydrophobicContact CD1-CG 3.85Å; L555-L826 HydrophobicContact CD1-CD2 4.04Å; L555-L826 HydrophobicContact CD1-CG 4.43Å; L555-Q827 HydrophobicContact CD1-CG 4.04Å; L555-Q827 HydrophobicContact CD2-CG 3.67Å; L555-Q827 HydrophobicContact CG-CG 4.33Å; L555-I830 HydrophobicContact CB-CD1 4.05Å; L555-I830 WeakPolarHBondContact O-CD1 3.34Å
556V96.5Very high97.2Very high2 Ų216.3 Ų16.31%0.0129%0.086CC..  trans-93.7121.6-169-168.80000111.6A552 K590 R677 L678 L826 I830A552-V556 WeakPolarHBondContact O-CG2 3.48Å; A552-V556 PolarHBondContact O-N 3.39Å; V556-K590 VanDerWaalsContact O-CE 3.29Å; V556-K590 WeakPolarHBondContact O-CE 3.26Å; V556-K590 PolarHBondContact O-NZ 2.81Å; V556-R677 HydrophobicContact CG1-CB 3.57Å; V556-L678 HydrophobicContact CB-CB 4.23Å; V556-L678 HydrophobicContact CB-CD2 4.46Å; V556-L678 HydrophobicContact CG1-CB 3.81Å; V556-L678 HydrophobicContact CG2-CB 3.99Å; V556-L678 HydrophobicContact CG2-CD2 3.72Å; V556-L678 HydrophobicContact CG2-CG 4.41Å; V556-L826 HydrophobicContact CG2-CD1 4.35Å; V556-L826 HydrophobicContact CG2-CD2 4.16Å; V556-L826 HydrophobicContact CG2-CG 4.49Å; V556-I830 HydrophobicContact CB-CD1 4.22Å; V556-I830 HydrophobicContact CG2-CD1 3.64Å
557P93.3Very high96.9Very high33 Ų3319.2 Ų19.221%0.21410%0.096CC..  trans-73.8163.6173.733.9-39.2000112.3I830 E834P557-I830 HydrophobicContact CG-CG2 4.39Å; P557-E834 WeakPolarHBondContact CG-OE1 3.4Å
558G94.5Very high96.6Very high2 Ų221.5 Ų21.52%0.02111%0.112CC..EExtended strand (participates in β ladder)trans69.5-143.517400000113.8K590 T653 G654 S655G558-K590 PolarHBondContact O-NZ 3.1Å; G558-T653 PolarHBondContact N-O 3.25Å; G558-G654 WeakPolarHBondContact O-CA 3.49Å; G558-S655 PolarHBondContact O-N 3.31Å; G558-S655 VanDerWaalsContact O-N 3.14Å
559G96.7Very high96.4Very high0 Ų021.5 Ų21.50%011%0.111CC..EExtended strand (participates in β ladder)trans-82.2131-17400000113.6S655 S674 A676 R677G559-S655 CarbonylContact C-O 3.44Å; G559-S655 VanDerWaalsContact CA-O 3.3Å; G559-S655 WeakPolarHBondContact CA-O 3.47Å; G559-S674 WeakPolarHBondContact CA-O 3.27Å; G559-S674 PolarHBondContact N-O 2.95Å; G559-A676 CarbonylContact O-C 3.55Å; G559-A676 WeakPolarHBondContact O-CA 3.23Å; G559-R677 PolarHBondContact O-N 3.38Å
560V98.2Very high96.3Very high0 Ų021.4 Ų21.40%011%0.111CC..EExtended strand (participates in β ladder)trans-117130.5172.2-178.70000109.1S655 I656 I657 L678 I680V560-S655 PolarHBondContact N-O 3.26Å; V560-I656 HydrophobicContact CB-CB 4.15Å; V560-I656 HydrophobicContact CB-CD1 4.33Å; V560-I656 HydrophobicContact CB-CG1 4.04Å; V560-I656 HydrophobicContact CG1-CD1 3.98Å; V560-I656 HydrophobicContact CG1-CG1 4.11Å; V560-I656 CarbonylContact O-C 3.57Å; V560-I656 VanDerWaalsContact O-CA 3.3Å; V560-I656 WeakPolarHBondContact O-CA 3.36Å; V560-I657 PolarHBondContact O-N 3.46Å; V560-L678 CarbonylContact C-O 3.59Å; V560-L678 WeakPolarHBondContact CA-O 3.42Å; V560-L678 HydrophobicContact CG1-CB 4.17Å; V560-L678 HydrophobicContact CG1-CD2 3.94Å; V560-L678 HydrophobicContact CG1-CG 4.02Å; V560-L678 HydrophobicContact CG2-CB 4.22Å; V560-L678 HydrophobicContact CG2-CD2 4.49Å; V560-I680 HydrophobicContact CG1-CD1 4.18Å; V560-I680 HydrophobicContact CG1-CG1 4.33Å
561L98.2Very high96.2Very high1 Ų124.6 Ų24.61%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-109113.2174.4-52.6-179.4000109.2F563 F609 I657 F671 A676 L678 V679 I680 R776L561-F563 HydrophobicContact CB-CD2 4.38Å; L561-F563 HydrophobicContact CB-CE2 3.69Å; L561-F563 HydrophobicContact CB-CZ 4.12Å; L561-F563 HydrophobicContact CD1-CE2 4.26Å; L561-F563 HydrophobicContact CD1-CZ 4.27Å; L561-F609 HydrophobicContact CD2-CZ 4.5Å; L561-I657 HydrophobicContact CD2-CB 4.03Å; L561-I657 HydrophobicContact CD2-CD1 3.82Å; L561-I657 HydrophobicContact CD2-CG1 4.37Å; L561-F671 HydrophobicContact CD1-CB 4.27Å; L561-F671 HydrophobicContact CD1-CD2 3.61Å; L561-F671 HydrophobicContact CD1-CE2 4.09Å; L561-F671 HydrophobicContact CD1-CG 3.98Å; L561-F671 HydrophobicContact CD2-CD1 4.44Å; L561-F671 HydrophobicContact CD2-CD2 4.45Å; L561-F671 HydrophobicContact CD2-CE1 4.39Å; L561-F671 HydrophobicContact CD2-CE2 4.41Å; L561-F671 HydrophobicContact CD2-CG 4.47Å; L561-F671 HydrophobicContact CD2-CZ 4.38Å; L561-A676 HydrophobicContact CD1-CB 3.83Å; L561-A676 HydrophobicContact CG-CB 4.18Å; L561-L678 PolarHBondContact N-O 2.91Å; L561-V679 HydrophobicContact CB-CG2 4.3Å; L561-V679 HydrophobicContact CD1-CG2 4.38Å; L561-V679 CarbonylContact O-C 3.57Å; L561-V679 VanDerWaalsContact O-CA 3.3Å; L561-V679 WeakPolarHBondContact O-CA 3.43Å; L561-I680 PolarHBondContact O-N 3.24Å; L561-R776 HydrophobicContact CD1-CB 3.84Å
562C98.6Very high96.1Very high0 Ų026.6 Ų26.60%014%0.135CC..EExtended strand (participates in β ladder)trans-107110178.1-174.10000109.9I656 I657 F658 A659 I680 I682C562-I656 HydrophobicContact CB-CD1 4.14Å; C562-I656 HydrophobicContact CB-CG1 4.46Å; C562-I657 PolarHBondContact N-O 3.1Å; C562-F658 HydrophobicContact CB-CD1 3.68Å; C562-F658 HydrophobicContact CB-CE1 3.85Å; C562-F658 WeakPolarHBondContact O-CA 3.39Å; C562-A659 PolarHBondContact O-N 3.4Å; C562-I680 CarbonylContact C-O 3.47Å; C562-I680 WeakPolarHBondContact CA-O 3.18Å; C562-I680 HydrophobicContact CB-CB 4.42Å; C562-I682 WeakPolarHBondContact SG-CD1 3.31Å
563F98.4Very high96.1Very high1 Ų126.6 Ų26.60%0.00414%0.135CC..EExtended strand (participates in β ladder)trans-99.3131-178.8-66.5-76.1000112.1L561 A659 V665 V679 I680 I682 A773 R776L561-F563 HydrophobicContact CB-CD2 4.38Å; L561-F563 HydrophobicContact CB-CE2 3.69Å; L561-F563 HydrophobicContact CB-CZ 4.12Å; L561-F563 HydrophobicContact CD1-CE2 4.26Å; L561-F563 HydrophobicContact CD1-CZ 4.27Å; F563-A659 CarbonylContact C-O 3.58Å; F563-A659 WeakPolarHBondContact CA-O 3.46Å; F563-A659 HydrophobicContact CD1-CB 3.77Å; F563-A659 HydrophobicContact CE1-CB 3.73Å; F563-V665 HydrophobicContact CE1-CG1 3.98Å; F563-V665 HydrophobicContact CZ-CG1 4.16Å; F563-V679 HydrophobicContact CD2-CG1 3.74Å; F563-V679 HydrophobicContact CE2-CG1 3.87Å; F563-I680 PolarHBondContact N-O 2.95Å; F563-I682 PolarHBondContact O-N 2.99Å; F563-A773 HydrophobicContact CB-CB 4.11Å; F563-A773 HydrophobicContact CD1-CB 3.98Å; F563-A773 HydrophobicContact CD2-CB 3.63Å; F563-A773 HydrophobicContact CE1-CB 4.31Å; F563-A773 HydrophobicContact CE2-CB 3.96Å; F563-A773 WeakPolarHBondContact CE2-O 3.24Å; F563-A773 HydrophobicContact CG-CB 3.63Å; F563-A773 HydrophobicContact CZ-CB 4.3Å; F563-R776 HydrophobicContact CE2-CG 4.27Å; F563-R776 HydrophobicContact CZ-CG 3.96Å
564L97.6Very high96.1Very high0 Ų027.3 Ų27.30%014%0.139CC..EExtended strand (participates in β ladder)trans-115.6158.5179.3-6395.4000112.3S566 L569 L570 L573 F658 A659 V660 C661 I682L564-S566 VanDerWaalsContact C-N 3.32Å; L564-S566 PolarHBondContact O-N 3.3Å; L564-L569 HydrophobicContact CD2-CD2 4.44Å; L564-L569 HydrophobicContact CD2-CG 4.28Å; L564-L570 HydrophobicContact CD1-CD1 4Å; L564-L570 HydrophobicContact CD2-CB 4.23Å; L564-L570 HydrophobicContact CD2-CD1 4.38Å; L564-L573 HydrophobicContact CD2-CD1 3.32Å; L564-F658 HydrophobicContact CD1-CB 4.44Å; L564-F658 HydrophobicContact CD1-CD1 4.1Å; L564-A659 WeakPolarHBondContact CD1-O 3.44Å; L564-A659 PolarHBondContact N-O 3.44Å; L564-V660 CarbonylContact O-C 3.56Å; L564-V660 VanDerWaalsContact O-CA 3.29Å; L564-V660 WeakPolarHBondContact O-CA 3.3Å; L564-C661 PolarHBondContact O-N 2.9Å; L564-I682 HydrophobicContact CD2-CD1 4.21Å; L564-I682 HydrophobicContact CG-CD1 4.07Å
565P95.7Very high96.2Very high26 Ų2626.2 Ų26.217%0.16914%0.14CC..SBendtrans-66.9-28.8-179.6-24.939.3000114.2L569 I682 P685P565-L569 HydrophobicContact CG-CD2 4.32Å; P565-I682 WeakPolarHBondContact CD-O 3.4Å; P565-I682 WeakPolarHBondContact CG-O 3.29Å; P565-P685 HydrophobicContact CB-CB 4.45Å
566S93.6Very high96.2Very high37 Ų3727 Ų2726%0.25914%0.14SC..  trans-160.1156.9-176.2730000113L564 S568 L569 L570 V660L564-S566 VanDerWaalsContact C-N 3.32Å; L564-S566 PolarHBondContact O-N 3.3Å; S566-S568 PolarHBondContact O-N 3.32Å; S566-S568 PolarHBondContact OG-OG 3.15Å; S566-L569 PolarHBondContact O-N 3.4Å; S566-L569 PolarHBondContact OG-N 3.12Å; S566-L570 PolarHBondContact O-N 3.24Å; S566-L570 VanDerWaalsContact O-N 3.13Å; S566-V660 VanDerWaalsContact C-CG1 3.49Å
567Y93.2Very high96.3Very high63 Ų6327.1 Ų27.125%0.24714%0.141CC..Hα-helixtrans-61.1-33.9172.8-74.2-68.2000112.1L569 L570 D571 R597 V660Y567-L569 VanDerWaalsContact C-N 3.3Å; Y567-L569 PolarHBondContact O-N 3.01Å; Y567-L570 HydrophobicContact CD1-CD2 4.25Å; Y567-L570 WeakPolarHBondContact O-CB 3.37Å; Y567-L570 PolarHBondContact O-N 3.35Å; Y567-D571 PolarHBondContact O-N 3.11Å; Y567-R597 HydrophobicContact CD1-CG 4.43Å; Y567-R597 HydrophobicContact CE1-CG 4.1Å; Y567-V660 HydrophobicContact CD1-CG1 3.7Å; Y567-V660 HydrophobicContact CD1-CG2 4.42Å; Y567-V660 HydrophobicContact CD2-CG1 4.24Å; Y567-V660 HydrophobicContact CD2-CG2 4.04Å; Y567-V660 HydrophobicContact CE1-CG1 3.86Å; Y567-V660 HydrophobicContact CE1-CG2 3.91Å; Y567-V660 HydrophobicContact CE2-CG1 4.4Å; Y567-V660 HydrophobicContact CE2-CG2 3.5Å; Y567-V660 HydrophobicContact CG-CG1 3.89Å; Y567-V660 HydrophobicContact CG-CG2 4.47Å; Y567-V660 VanDerWaalsContact CZ-CG2 3.41Å
568S92Very high96.5Very high65 Ų6530.9 Ų30.946%0.45516%0.155SC..Hα-helixtrans-63.3-35178.272.80000113.2S566 K572S566-S568 PolarHBondContact O-N 3.32Å; S566-S568 PolarHBondContact OG-OG 3.15Å; S568-K572 WeakPolarHBondContact O-CD 3.21Å; S568-K572 VanDerWaalsContact O-CG 3.28Å; S568-K572 WeakPolarHBondContact O-CG 3.27Å; S568-K572 PolarHBondContact O-N 2.65Å
569L94.6Very high96.7Very high0 Ų037.4 Ų37.40%019%0.189CC..Hα-helixtrans-75.2-40.7174.8-178.559.8000110.6Q536 L564 P565 S566 Y567 K572 L573Q536-L569 HydrophobicContact CB-CD1 3.84Å; Q536-L569 HydrophobicContact CB-CD2 4.47Å; Q536-L569 HydrophobicContact CG-CD1 4.2Å; L564-L569 HydrophobicContact CD2-CD2 4.44Å; L564-L569 HydrophobicContact CD2-CG 4.28Å; P565-L569 HydrophobicContact CG-CD2 4.32Å; S566-L569 PolarHBondContact O-N 3.4Å; S566-L569 PolarHBondContact OG-N 3.12Å; Y567-L569 VanDerWaalsContact C-N 3.3Å; Y567-L569 PolarHBondContact O-N 3.01Å; L569-K572 PolarHBondContact O-N 3.38Å; L569-L573 HydrophobicContact CD1-CD1 4.17Å; L569-L573 HydrophobicContact CD1-CG 4.13Å; L569-L573 HydrophobicContact CD2-CD1 4.41Å; L569-L573 HydrophobicContact CG-CD1 3.88Å; L569-L573 HydrophobicContact CG-CG 4.29Å; L569-L573 WeakPolarHBondContact O-CG 3.31Å; L569-L573 PolarHBondContact O-N 3.34Å
570L96.4Very high96.7Very high0 Ų040 Ų400%021%0.205CC..Hα-helixtrans-56.6-51.4175.9175.853.1000111.7L564 S566 Y567 K572 L573 I574 I594 F658 V660L564-L570 HydrophobicContact CD1-CD1 4Å; L564-L570 HydrophobicContact CD2-CB 4.23Å; L564-L570 HydrophobicContact CD2-CD1 4.38Å; S566-L570 PolarHBondContact O-N 3.24Å; S566-L570 VanDerWaalsContact O-N 3.13Å; Y567-L570 HydrophobicContact CD1-CD2 4.25Å; Y567-L570 WeakPolarHBondContact O-CB 3.37Å; Y567-L570 PolarHBondContact O-N 3.35Å; L570-K572 VanDerWaalsContact C-N 3.31Å; L570-K572 PolarHBondContact O-N 2.73Å; L570-L573 PolarHBondContact O-N 3.35Å; L570-I574 HydrophobicContact CD1-CD1 4.31Å; L570-I574 HydrophobicContact CD1-CG1 3.79Å; L570-I574 WeakPolarHBondContact O-CG1 3.49Å; L570-I574 PolarHBondContact O-N 2.92Å; L570-I594 HydrophobicContact CD2-CG2 4Å; L570-F658 HydrophobicContact CD1-CB 3.6Å; L570-F658 HydrophobicContact CD1-CD1 4.44Å; L570-F658 HydrophobicContact CD1-CG 4.17Å; L570-F658 HydrophobicContact CD2-CB 4.46Å; L570-V660 HydrophobicContact CD2-CG1 4.28Å
571D95.8Very high96.7Very high74 Ų7440.8 Ų40.840%0.39621%0.213SC..Hα-helixtrans-58.7-42.9179.1-63.8-18.5000111.3Y567 Q575 R597Y567-D571 PolarHBondContact O-N 3.11Å; D571-Q575 VanDerWaalsContact O-CB 3.27Å; D571-Q575 WeakPolarHBondContact O-CB 3.49Å; D571-Q575 PolarHBondContact O-N 3.43Å; D571-R597 IonicContact OD1-NH2 2.99Å; D571-R597 PolarHBondContact OD1-NH2 3.12Å; D571-R597 IonicContact OD2-CZ 3.56Å; D571-R597 IonicContact OD2-NH2 3.66Å; D571-R597 PolarHBondContact OD2-NH2 2.71Å
572K96.2Very high96.6Very high73 Ų7342.4 Ų42.432%0.31722%0.222SC..Hα-helixtrans-62.6-43.6177.3-76.6172.6179.3174.40112.6N537 S568 L569 L570 R576N537-K572 PolarHBondContact OD1-NZ 3.09Å; S568-K572 WeakPolarHBondContact O-CD 3.21Å; S568-K572 VanDerWaalsContact O-CG 3.28Å; S568-K572 WeakPolarHBondContact O-CG 3.27Å; S568-K572 PolarHBondContact O-N 2.65Å; L569-K572 PolarHBondContact O-N 3.38Å; L570-K572 VanDerWaalsContact C-N 3.31Å; L570-K572 PolarHBondContact O-N 2.73Å; K572-R576 VanDerWaalsContact O-CB 3.26Å; K572-R576 WeakPolarHBondContact O-CB 3.36Å; K572-R576 PolarHBondContact O-N 2.97Å
573L98.1Very high96.5Very high0 Ų043.1 Ų43.10%023%0.226CC..Hα-helixtrans-67.4-46.2179.9-72.1171.7000111.1Q542 L564 L569 L570 Q575 R576 W577Q542-L573 HydrophobicContact CB-CD2 3.62Å; Q542-L573 HydrophobicContact CG-CD2 3.6Å; L564-L573 HydrophobicContact CD2-CD1 3.32Å; L569-L573 HydrophobicContact CD1-CD1 4.17Å; L569-L573 HydrophobicContact CD1-CG 4.13Å; L569-L573 HydrophobicContact CD2-CD1 4.41Å; L569-L573 HydrophobicContact CG-CD1 3.88Å; L569-L573 HydrophobicContact CG-CG 4.29Å; L569-L573 WeakPolarHBondContact O-CG 3.31Å; L569-L573 PolarHBondContact O-N 3.34Å; L570-L573 PolarHBondContact O-N 3.35Å; L573-Q575 PolarHBondContact O-N 2.99Å; L573-R576 PolarHBondContact O-N 2.84Å; L573-W577 HydrophobicContact CB-CD2 4.29Å; L573-W577 HydrophobicContact CB-CE3 4.33Å; L573-W577 HydrophobicContact CB-CH2 3.88Å; L573-W577 HydrophobicContact CB-CZ2 3.8Å; L573-W577 HydrophobicContact CB-CZ3 4.13Å; L573-W577 HydrophobicContact CD1-CH2 4.14Å; L573-W577 HydrophobicContact CD1-CZ2 4.15Å; L573-W577 HydrophobicContact CD2-CZ2 3.77Å; L573-W577 HydrophobicContact CG-CH2 4.41Å; L573-W577 HydrophobicContact CG-CZ2 4.12Å; L573-W577 WeakPolarHBondContact O-CB 3.47Å; L573-W577 VanDerWaalsContact O-CD2 3.23Å; L573-W577 PolarHBondContact O-N 2.99Å
574I98Very high96.4Very high16 Ų1648 Ų488%0.08225%0.252CS..Hα-helixtrans-59.5-49176.5-65.1-64.5000110.5L570 R576 W577 E578 L583 I594 F658L570-I574 HydrophobicContact CD1-CD1 4.31Å; L570-I574 HydrophobicContact CD1-CG1 3.79Å; L570-I574 WeakPolarHBondContact O-CG1 3.49Å; L570-I574 PolarHBondContact O-N 2.92Å; I574-R576 VanDerWaalsContact C-N 3.32Å; I574-R576 PolarHBondContact O-N 3.44Å; I574-W577 HydrophobicContact CD1-CE3 4.15Å; I574-W577 HydrophobicContact CD1-CZ3 4.32Å; I574-W577 PolarHBondContact O-N 3.2Å; I574-E578 WeakPolarHBondContact O-CG 3.13Å; I574-E578 PolarHBondContact O-N 3.33Å; I574-L583 HydrophobicContact CD1-CD1 4.33Å; I574-L583 HydrophobicContact CG2-CD2 4.3Å; I574-I594 HydrophobicContact CD1-CD1 3.94Å; I574-I594 HydrophobicContact CD1-CG1 4.41Å; I574-I594 HydrophobicContact CG1-CD1 3.82Å; I574-I594 HydrophobicContact CG2-CD1 4.17Å; I574-F658 HydrophobicContact CD1-CD2 4.14Å; I574-F658 HydrophobicContact CD1-CE2 4.31Å
575Q97.7Very high96.3Very high124 Ų12452.7 Ų52.758%0.57927%0.273SS*.Hα-helixtrans-58.8-42.8177-175.5178.942.200112.1D571 L573 L579D571-Q575 VanDerWaalsContact O-CB 3.27Å; D571-Q575 WeakPolarHBondContact O-CB 3.49Å; D571-Q575 PolarHBondContact O-N 3.43Å; L573-Q575 PolarHBondContact O-N 2.99Å; Q575-L579 HydrophobicContact CG-CD1 4.49Å; Q575-L579 WeakPolarHBondContact O-CG 3.49Å; Q575-L579 PolarHBondContact O-N 3.13Å
576R97.8Very high96.4Very high50 Ų5051.6 Ų51.619%0.18927%0.266CS..Hα-helixtrans-64.8-41.5177.1178.861.5-179.2179.35.4111.9Q542 D543 K572 L573 I574 L579 T580Q542-R576 HydrophobicContact CB-CB 4.4Å; Q542-R576 HydrophobicContact CB-CG 3.88Å; D543-R576 WeakPolarHBondContact OD1-CG 3.4Å; D543-R576 IonicContact OD1-CZ 2.78Å; D543-R576 IonicContact OD1-NE 2.73Å; D543-R576 PolarHBondContact OD1-NE 3.11Å; D543-R576 IonicContact OD1-NH2 3.12Å; D543-R576 PolarHBondContact OD1-NH2 3.25Å; D543-R576 IonicContact OD2-CZ 2.68Å; D543-R576 IonicContact OD2-NE 3.59Å; D543-R576 IonicContact OD2-NH2 2.87Å; D543-R576 PolarHBondContact OD2-NH2 3.41Å; K572-R576 VanDerWaalsContact O-CB 3.26Å; K572-R576 WeakPolarHBondContact O-CB 3.36Å; K572-R576 PolarHBondContact O-N 2.97Å; L573-R576 PolarHBondContact O-N 2.84Å; I574-R576 VanDerWaalsContact C-N 3.32Å; I574-R576 PolarHBondContact O-N 3.44Å; R576-L579 PolarHBondContact O-N 3.49Å; R576-T580 WeakPolarHBondContact O-CG2 3.42Å; R576-T580 PolarHBondContact O-N 3.36Å; R576-T580 VanDerWaalsContact O-N 3.08Å; R576-T580 PolarHBondContact O-OG1 2.89Å
577W98.5Very high96.5Very high4 Ų452.4 Ų52.42%0.01527%0.267CS..Hα-helixtrans-74.8-27.9-178.1-61.1-20.6000113.2Q542 I545 V549 L573 I574 T580 G581 L582 L583 F658Q542-W577 PolarHBondContact O-NE1 2.83Å; I545-W577 HydrophobicContact CB-CZ2 4.41Å; I545-W577 HydrophobicContact CG2-CH2 4.25Å; I545-W577 HydrophobicContact CG2-CZ2 3.87Å; V549-W577 HydrophobicContact CG2-CH2 4.49Å; L573-W577 HydrophobicContact CB-CD2 4.29Å; L573-W577 HydrophobicContact CB-CE3 4.33Å; L573-W577 HydrophobicContact CB-CH2 3.88Å; L573-W577 HydrophobicContact CB-CZ2 3.8Å; L573-W577 HydrophobicContact CB-CZ3 4.13Å; L573-W577 HydrophobicContact CD1-CH2 4.14Å; L573-W577 HydrophobicContact CD1-CZ2 4.15Å; L573-W577 HydrophobicContact CD2-CZ2 3.77Å; L573-W577 HydrophobicContact CG-CH2 4.41Å; L573-W577 HydrophobicContact CG-CZ2 4.12Å; L573-W577 WeakPolarHBondContact O-CB 3.47Å; L573-W577 VanDerWaalsContact O-CD2 3.23Å; L573-W577 PolarHBondContact O-N 2.99Å; I574-W577 HydrophobicContact CD1-CE3 4.15Å; I574-W577 HydrophobicContact CD1-CZ3 4.32Å; I574-W577 PolarHBondContact O-N 3.2Å; W577-T580 WeakPolarHBondContact CA-OG1 3.37Å; W577-T580 PolarHBondContact O-OG1 3.18Å; W577-G581 CarbonylContact O-C 3.59Å; W577-G581 PolarHBondContact O-N 3.3Å; W577-L582 HydrophobicContact CB-CB 3.93Å; W577-L582 HydrophobicContact CG-CB 4.15Å; W577-L582 HydrophobicContact CG-CD1 4.45Å; W577-L582 PolarHBondContact O-N 2.68Å; W577-L583 HydrophobicContact CB-CB 3.99Å; W577-L583 PolarHBondContact O-N 3.46Å; W577-F658 HydrophobicContact CE3-CZ 4.39Å; W577-F658 AromaticContact CH2-CE1 3.98Å; W577-F658 HydrophobicContact CH2-CE1 3.98Å; W577-F658 HydrophobicContact CH2-CZ 4.31Å; W577-F658 HydrophobicContact CZ3-CD1 4.38Å; W577-F658 AromaticContact CZ3-CE1 3.57Å; W577-F658 HydrophobicContact CZ3-CE1 3.57Å; W577-F658 HydrophobicContact CZ3-CE2 4.37Å; W577-F658 AromaticContact CZ3-CZ 3.55Å; W577-F658 HydrophobicContact CZ3-CZ 3.55Å
578E97.8Very high96.6Very high112 Ų11255.5 Ų55.552%0.52329%0.286SS..Hα-helixtrans-62.1-50.9166.7-76174.6169.800110.7I574 T580 G581 L583I574-E578 WeakPolarHBondContact O-CG 3.13Å; I574-E578 PolarHBondContact O-N 3.33Å; E578-T580 VanDerWaalsContact C-N 3.31Å; E578-T580 PolarHBondContact O-N 2.82Å; E578-G581 PolarHBondContact O-N 2.86Å; E578-L583 HydrophobicContact CG-CB 4.45Å; E578-L583 HydrophobicContact CG-CD2 3.45Å; E578-L583 VanDerWaalsContact CG-CD2 3.45Å
579L97.5Very high96.7Very high139 Ų13953.5 Ų53.573%0.72827%0.27SS*.Hα-helixtrans-64.2-32.8-177.7-71172.7000113.7Q575 R576Q575-L579 HydrophobicContact CG-CD1 4.49Å; Q575-L579 WeakPolarHBondContact O-CG 3.49Å; Q575-L579 PolarHBondContact O-N 3.13Å; R576-L579 PolarHBondContact O-N 3.49Å
580T97.5Very high96.8Very high55 Ų5553.5 Ų53.534%0.33727%0.27SS..Hα-helixtrans-90-8.1-179.352.10000113.4R576 W577 E578 L582R576-T580 WeakPolarHBondContact O-CG2 3.42Å; R576-T580 PolarHBondContact O-N 3.36Å; R576-T580 VanDerWaalsContact O-N 3.08Å; R576-T580 PolarHBondContact O-OG1 2.89Å; W577-T580 WeakPolarHBondContact CA-OG1 3.37Å; W577-T580 PolarHBondContact O-OG1 3.18Å; E578-T580 VanDerWaalsContact C-N 3.31Å; E578-T580 PolarHBondContact O-N 2.82Å; T580-L582 PolarHBondContact O-N 2.78Å; T580-L582 WeakPolarHBondContact OG1-CD1 3.37Å
581G97.2Very high96.8Very high17 Ų1754.1 Ų54.118%0.17527%0.273CS..SBendtrans76.5-1.2-173.600000114.7W577 E578 L583 N584 H585W577-G581 CarbonylContact O-C 3.59Å; W577-G581 PolarHBondContact O-N 3.3Å; E578-G581 PolarHBondContact O-N 2.86Å; G581-L583 VanDerWaalsContact C-N 3.25Å; G581-L583 PolarHBondContact O-N 2.68Å; G581-N584 WeakPolarHBondContact O-CB 3.5Å; G581-N584 PolarHBondContact O-N 2.95Å; G581-N584 VanDerWaalsContact O-N 3.1Å; G581-H585 PolarHBondContact O-N 3.36Å; G581-H585 VanDerWaalsContact O-N 3.09Å
582L97.1Very high96.8Very high34 Ų3451.8 Ų51.818%0.17826%0.261CS..Hα-helixtrans-57.1-38.5174.6-79.8167.7000112V550 W577 T580 N584 H585 L586V550-L582 HydrophobicContact CG2-CD2 4.36Å; W577-L582 HydrophobicContact CB-CB 3.93Å; W577-L582 HydrophobicContact CG-CB 4.15Å; W577-L582 HydrophobicContact CG-CD1 4.45Å; W577-L582 PolarHBondContact O-N 2.68Å; T580-L582 PolarHBondContact O-N 2.78Å; T580-L582 WeakPolarHBondContact OG1-CD1 3.37Å; L582-N584 VanDerWaalsContact C-N 3.31Å; L582-N584 PolarHBondContact O-N 2.77Å; L582-H585 PolarHBondContact O-N 3.4Å; L582-L586 PolarHBondContact O-N 3.11Å
583L97.1Very high96.8Very high16 Ų1648.7 Ų48.78%0.08425%0.248CC..Hα-helixtrans-66.1-35.3178.3-171.364.3000111.6I574 W577 E578 G581 L586 N587 V592I574-L583 HydrophobicContact CD1-CD1 4.33Å; I574-L583 HydrophobicContact CG2-CD2 4.3Å; W577-L583 HydrophobicContact CB-CB 3.99Å; W577-L583 PolarHBondContact O-N 3.46Å; E578-L583 HydrophobicContact CG-CB 4.45Å; E578-L583 HydrophobicContact CG-CD2 3.45Å; E578-L583 VanDerWaalsContact CG-CD2 3.45Å; G581-L583 VanDerWaalsContact C-N 3.25Å; G581-L583 PolarHBondContact O-N 2.68Å; L583-L586 PolarHBondContact O-N 3.45Å; L583-N587 WeakPolarHBondContact O-CB 3.47Å; L583-N587 PolarHBondContact O-N 3.31Å; L583-N587 PolarHBondContact O-ND2 2.84Å; L583-N587 VanDerWaalsContact O-ND2 3.07Å; L583-V592 HydrophobicContact CD1-CG1 4Å; L583-V592 HydrophobicContact CD1-CG2 4.33Å
584N96.2Very high96.7Very high103 Ų10352.1 Ų52.155%0.55127%0.265SS*.Hα-helixtrans-66.8-44.1174.6-68.4-22.8000110.9G581 L582 L586 N587 M588G581-N584 WeakPolarHBondContact O-CB 3.5Å; G581-N584 PolarHBondContact O-N 2.95Å; G581-N584 VanDerWaalsContact O-N 3.1Å; L582-N584 VanDerWaalsContact C-N 3.31Å; L582-N584 PolarHBondContact O-N 2.77Å; N584-L586 VanDerWaalsContact C-N 3.27Å; N584-L586 PolarHBondContact O-N 2.83Å; N584-N587 PolarHBondContact O-N 3.14Å; N584-M588 WeakPolarHBondContact O-CG 3.41Å; N584-M588 PolarHBondContact O-N 3.44Å
585H95.4Very high96.5Very high99 Ų9951.6 Ų51.646%0.45826%0.262SS..Hα-helixtrans-59-40.6173.5-65.4162.8000112G581 L582 M588 I589G581-H585 PolarHBondContact O-N 3.36Å; G581-H585 VanDerWaalsContact O-N 3.09Å; L582-H585 PolarHBondContact O-N 3.4Å; H585-M588 WeakPolarHBondContact O-CB 3.17Å; H585-M588 PolarHBondContact O-N 3.11Å; H585-I589 WeakPolarHBondContact O-CD1 3.31Å; H585-I589 WeakPolarHBondContact O-CG1 3.16Å
586L96.7Very high96.1Very high3 Ų347 Ų472%0.01624%0.243CC..Hα-helixtrans-65.8-43.5176.4-172.161.9000111.7V549 V550 C553 L582 L583 N584 M588 I589 K590 V592 I656 F658V549-L586 HydrophobicContact CG1-CD1 4.19Å; V549-L586 HydrophobicContact CG1-CD2 4.07Å; V550-L586 HydrophobicContact CG2-CB 4.2Å; V550-L586 HydrophobicContact CG2-CD1 4.29Å; C553-L586 HydrophobicContact CB-CD1 3.83Å; L582-L586 PolarHBondContact O-N 3.11Å; L583-L586 PolarHBondContact O-N 3.45Å; N584-L586 VanDerWaalsContact C-N 3.27Å; N584-L586 PolarHBondContact O-N 2.83Å; L586-M588 PolarHBondContact O-N 2.75Å; L586-I589 PolarHBondContact O-N 3.43Å; L586-K590 PolarHBondContact O-N 2.82Å; L586-V592 HydrophobicContact CB-CG2 4.27Å; L586-V592 HydrophobicContact CD2-CG2 3.82Å; L586-V592 HydrophobicContact CG-CG2 3.72Å; L586-I656 HydrophobicContact CD2-CG2 4.2Å; L586-I656 HydrophobicContact CG-CG2 4.37Å; L586-F658 HydrophobicContact CD2-CE2 3.75Å; L586-F658 HydrophobicContact CD2-CZ 3.63Å
587N95.8Very high95.5Very high53 Ų5352 Ų5228%0.28326%0.262SS..Hα-helixtrans-61.6-26.8176.3-85.9-52.6000113.6L583 N584 I589 K590 V592 Q652L583-N587 WeakPolarHBondContact O-CB 3.47Å; L583-N587 PolarHBondContact O-N 3.31Å; L583-N587 PolarHBondContact O-ND2 2.84Å; L583-N587 VanDerWaalsContact O-ND2 3.07Å; N584-N587 PolarHBondContact O-N 3.14Å; N587-I589 VanDerWaalsContact C-N 3.25Å; N587-I589 PolarHBondContact O-N 3.28Å; N587-K590 WeakPolarHBondContact CA-O 3.49Å; N587-V592 WeakPolarHBondContact OD1-CB 3.04Å; N587-V592 VanDerWaalsContact OD1-CG2 3.27Å; N587-V592 WeakPolarHBondContact OD1-CG2 3.41Å; N587-Q652 PolarHBondContact O-NE2 3.32Å
588M94.5Very high94.7Very high129 Ų12954.8 Ų54.864%0.63528%0.282SS*.Hα-helixtrans-69.9-23.8172.1-68175.568.800112.8N584 H585 L586N584-M588 WeakPolarHBondContact O-CG 3.41Å; N584-M588 PolarHBondContact O-N 3.44Å; H585-M588 WeakPolarHBondContact O-CB 3.17Å; H585-M588 PolarHBondContact O-N 3.11Å; L586-M588 PolarHBondContact O-N 2.75Å
589I95.3Very high93.9Very high23 Ų2353.7 Ų53.712%0.11829%0.287CS..Hα-helixtrans-101.2-40.5-175.4-56.7157000111.2V550 C553 R554 H585 L586 N587 Q652 T653V550-I589 HydrophobicContact CG1-CD1 3.99Å; C553-I589 HydrophobicContact CB-CG2 4.22Å; C553-I589 VanDerWaalsContact O-CG2 3.27Å; C553-I589 WeakPolarHBondContact O-CG2 3.25Å; R554-I589 HydrophobicContact CG-CD1 3.59Å; R554-I589 HydrophobicContact CG-CG1 4.33Å; H585-I589 WeakPolarHBondContact O-CD1 3.31Å; H585-I589 WeakPolarHBondContact O-CG1 3.16Å; L586-I589 PolarHBondContact O-N 3.43Å; N587-I589 VanDerWaalsContact C-N 3.25Å; N587-I589 PolarHBondContact O-N 3.28Å; I589-Q652 CarbonylContact O-C 3.37Å; I589-Q652 WeakPolarHBondContact O-CA 3.42Å; I589-T653 PolarHBondContact O-N 3.05Å; I589-T653 PolarHBondContact O-OG1 2.69Å; I589-T653 VanDerWaalsContact O-OG1 3.05Å
590K96.1Very high93.2Very high0 Ų052.8 Ų52.80%029%0.287CS..SBendtrans-136.6148.6-175.4-64.7-64.7-178.2-1780111.2C553 V556 G558 L586 N587 V592 Q652 T653 G654 I656C553-K590 HydrophobicContact CB-CG 3.85Å; C553-K590 WeakPolarHBondContact O-CE 3.14Å; V556-K590 VanDerWaalsContact O-CE 3.29Å; V556-K590 WeakPolarHBondContact O-CE 3.26Å; V556-K590 PolarHBondContact O-NZ 2.81Å; G558-K590 PolarHBondContact O-NZ 3.1Å; L586-K590 PolarHBondContact O-N 2.82Å; N587-K590 WeakPolarHBondContact CA-O 3.49Å; K590-V592 PolarHBondContact O-N 2.72Å; K590-Q652 PolarHBondContact O-NE2 3.44Å; K590-T653 WeakPolarHBondContact CE-OG1 3.27Å; K590-T653 PolarHBondContact NZ-O 3.04Å; K590-T653 PolarHBondContact NZ-OG1 3Å; K590-G654 CarbonylContact C-O 3.53Å; K590-G654 VanDerWaalsContact CA-O 3.31Å; K590-G654 WeakPolarHBondContact CA-O 3.47Å; K590-G654 VanDerWaalsContact CD-C 3.46Å; K590-I656 HydrophobicContact CB-CB 4.25Å; K590-I656 HydrophobicContact CB-CG2 3.77Å; K590-I656 HydrophobicContact CG-CB 4.49Å; K590-I656 HydrophobicContact CG-CG2 4.43Å
591H95.9Very high92.5Very high13 Ų1351.8 Ų51.86%0.0629%0.288CS..EExtended strand (participates in β ladder)trans-67.9111.6163.7-171.850.3000109.4M593 E608 L648 Q652 G654 S655 I656H591-M593 VanDerWaalsContact CD2-SD 3.58Å; H591-E608 IonicContact CD2-OE1 3.5Å; H591-E608 IonicContact CE1-OE1 3.39Å; H591-E608 IonicContact NE2-OE1 3.19Å; H591-E608 PolarHBondContact NE2-OE1 3.35Å; H591-L648 WeakPolarHBondContact ND1-CD2 3.38Å; H591-Q652 VanDerWaalsContact N-CD 3.33Å; H591-G654 PolarHBondContact N-O 2.94Å; H591-S655 CarbonylContact O-C 3.49Å; H591-S655 WeakPolarHBondContact O-CA 3.38Å; H591-I656 PolarHBondContact O-N 2.97Å
592V97.2Very high92Very high25 Ų2552.3 Ų52.315%0.15229%0.287CS..EExtended strand (participates in β ladder)trans-87.3122-176.2-179.50000110.6L583 L586 N587 K590 I656 F658L583-V592 HydrophobicContact CD1-CG1 4Å; L583-V592 HydrophobicContact CD1-CG2 4.33Å; L586-V592 HydrophobicContact CB-CG2 4.27Å; L586-V592 HydrophobicContact CD2-CG2 3.82Å; L586-V592 HydrophobicContact CG-CG2 3.72Å; N587-V592 WeakPolarHBondContact OD1-CB 3.04Å; N587-V592 VanDerWaalsContact OD1-CG2 3.27Å; N587-V592 WeakPolarHBondContact OD1-CG2 3.41Å; K590-V592 PolarHBondContact O-N 2.72Å; V592-I656 HydrophobicContact CB-CG2 4.21Å; V592-I656 HydrophobicContact CG1-CG2 4.36Å; V592-I656 HydrophobicContact CG2-CG2 3.76Å; V592-F658 HydrophobicContact CG1-CD2 3.81Å; V592-F658 HydrophobicContact CG1-CE2 3.64Å
593M96.5Very high91.5Very high7 Ų756.8 Ų56.83%0.03431%0.311CS..EExtended strand (participates in β ladder)trans-125.4141.2178.9-58.9-178.274.300110.6H591 W605 E608 F609 I656 I657 F658H591-M593 VanDerWaalsContact CD2-SD 3.58Å; M593-W605 HydrophobicContact CB-CZ2 4.01Å; M593-W605 HydrophobicContact CE-CD2 4.1Å; M593-W605 HydrophobicContact CE-CG 4.14Å; M593-W605 HydrophobicContact CE-CZ2 4.33Å; M593-W605 VanDerWaalsContact CE-O 3.3Å; M593-W605 WeakPolarHBondContact CE-O 3.28Å; M593-E608 HydrophobicContact CE-CB 3.94Å; M593-E608 HydrophobicContact CE-CG 3.86Å; M593-F609 HydrophobicContact CE-CB 3.99Å; M593-F609 VanDerWaalsContact SD-CA 3.55Å; M593-F609 HydrophobicContact SD-CB 3.63Å; M593-F609 HydrophobicContact SD-CD2 3.91Å; M593-F609 HydrophobicContact SD-CG 4.28Å; M593-I656 PolarHBondContact N-O 2.97Å; M593-I657 HydrophobicContact CB-CG1 4.34Å; M593-I657 CarbonylContact O-C 3.48Å; M593-I657 WeakPolarHBondContact O-CA 3.45Å; M593-F658 PolarHBondContact O-N 3.5Å
594I95.6Very high91.3Very high73 Ų7361.6 Ų61.637%0.37434%0.336SS..EExtended strand (participates in β ladder)trans-113.1133.3175.5-62.9170.8000108.2L570 I574 W605 F658L570-I594 HydrophobicContact CD2-CG2 4Å; I574-I594 HydrophobicContact CD1-CD1 3.94Å; I574-I594 HydrophobicContact CD1-CG1 4.41Å; I574-I594 HydrophobicContact CG1-CD1 3.82Å; I574-I594 HydrophobicContact CG2-CD1 4.17Å; I594-W605 PolarHBondContact O-NE1 3.02Å; I594-W605 VanDerWaalsContact O-NE1 3.14Å; I594-F658 HydrophobicContact CG1-CB 4.43Å
595E92.9Very high91.1Very high4 Ų458.2 Ų58.22%0.01932%0.316CS..  trans-57133.4179.4174179.6-167.100112.5F658 A659 V660 K664 V665E595-F658 PolarHBondContact N-O 3.27Å; E595-A659 HydrophobicContact CB-CB 4.16Å; E595-A659 WeakPolarHBondContact OE2-CB 3.35Å; E595-V660 PolarHBondContact OE2-N 3.25Å; E595-K664 WeakPolarHBondContact OE1-CA 3.37Å; E595-K664 VanDerWaalsContact OE1-CB 3.25Å; E595-K664 WeakPolarHBondContact OE1-CB 3.37Å; E595-K664 PolarHBondContact OE1-N 3.06Å; E595-V665 HydrophobicContact CB-CG2 3.94Å; E595-V665 HydrophobicContact CG-CB 4.38Å; E595-V665 HydrophobicContact CG-CG2 3.64Å; E595-V665 PolarHBondContact OE1-N 3.29Å
596P89.1Confident90.9Very high28 Ų2854.2 Ų54.218%0.18230%0.298CS..  trans-71.2133.7176.328.7-35.1000112.6S598 L602 W605 K664P596-S598 VanDerWaalsContact C-N 3.32Å; P596-S598 PolarHBondContact O-N 3.37Å; P596-L602 HydrophobicContact CG-CD1 3.71Å; P596-W605 HydrophobicContact CG-CD2 4.33Å; P596-W605 HydrophobicContact CG-CG 4.33Å; P596-K664 PolarHBondContact O-NZ 3.28Å
597R85.1Confident90.8Very high156 Ų15660.3 Ų60.359%0.58933%0.326SS*.SBendtrans-68.1-28.8175.9-61.2-175-174.5-169.80.3113.1Y567 D571 K664Y567-R597 HydrophobicContact CD1-CG 4.43Å; Y567-R597 HydrophobicContact CE1-CG 4.1Å; D571-R597 IonicContact OD1-NH2 2.99Å; D571-R597 PolarHBondContact OD1-NH2 3.12Å; D571-R597 IonicContact OD2-CZ 3.56Å; D571-R597 IonicContact OD2-NH2 3.66Å; D571-R597 PolarHBondContact OD2-NH2 2.71Å; R597-K664 PolarHBondContact O-NZ 3.17Å
598S83Confident90.7Very high62 Ų6261.8 Ų61.843%0.43433%0.331SS..SBendtrans-102.6161.5176.696.10000112P596 V600 K664P596-S598 VanDerWaalsContact C-N 3.32Å; P596-S598 PolarHBondContact O-N 3.37Å; S598-V600 VanDerWaalsContact C-N 3.25Å; S598-V600 WeakPolarHBondContact OG-CB 3.34Å; S598-V600 PolarHBondContact OG-N 3.33Å; S598-V600 VanDerWaalsContact OG-N 3.14Å; S598-K664 PolarHBondContact O-NZ 3.07Å
599S79.9Confident90.7Very high88 Ų8855.7 Ų55.762%0.61530%0.301SS*.SBendtrans-81.6-5.6173.856.30000113.1G601 L602S599-G601 PolarHBondContact O-N 3.34Å; S599-L602 PolarHBondContact O-N 2.98Å
600V82.5Confident90.7Very high120 Ų12057.4 Ų57.473%0.72731%0.307SS*.THydrogen-bonded Turntrans-71.1127178.4-176.20000108.6S598 L602S598-V600 VanDerWaalsContact C-N 3.25Å; S598-V600 WeakPolarHBondContact OG-CB 3.34Å; S598-V600 PolarHBondContact OG-N 3.33Å; S598-V600 VanDerWaalsContact OG-N 3.14Å; V600-L602 VanDerWaalsContact C-N 3.28Å; V600-L602 PolarHBondContact O-N 2.82Å
601G83.4Confident90.5Very high35 Ų3560.3 Ų60.336%0.36132%0.324SS..THydrogen-bonded Turntrans73.112.5179.900000115.1S599 D603 D604 W605S599-G601 PolarHBondContact O-N 3.34Å; G601-D603 VanDerWaalsContact C-N 3.3Å; G601-D603 PolarHBondContact O-N 2.9Å; G601-D604 PolarHBondContact O-N 3.33Å; G601-W605 WeakPolarHBondContact O-CB 3.42Å; G601-W605 PolarHBondContact O-N 3.07Å
602L86Confident90.3Very high28 Ų2859.7 Ų59.715%0.14732%0.322CS..Hα-helixtrans-62.7-36.6179.6-178.465.5000112.3P596 S599 V600 W605 L606 K664P596-L602 HydrophobicContact CG-CD1 3.71Å; S599-L602 PolarHBondContact O-N 2.98Å; V600-L602 VanDerWaalsContact C-N 3.28Å; V600-L602 PolarHBondContact O-N 2.82Å; L602-W605 HydrophobicContact CD1-CE3 4.1Å; L602-W605 PolarHBondContact O-N 3.29Å; L602-L606 HydrophobicContact CG-CD1 4.27Å; L602-L606 WeakPolarHBondContact O-CB 3.3Å; L602-L606 WeakPolarHBondContact O-CG 3.42Å; L602-L606 PolarHBondContact O-N 3.18Å; L602-K664 HydrophobicContact CD2-CD 4.19Å
603D87.8Confident90.1Very high128 Ų12858.5 Ų58.568%0.68432%0.315SS*.Hα-helixtrans-67.2-44.8178.9-70.1-28000111.3G601 W605 L606 E607G601-D603 VanDerWaalsContact C-N 3.3Å; G601-D603 PolarHBondContact O-N 2.9Å; D603-W605 VanDerWaalsContact C-N 3.33Å; D603-W605 PolarHBondContact O-N 3.4Å; D603-L606 PolarHBondContact O-N 2.98Å; D603-E607 PolarHBondContact O-N 2.94Å
604D91.9Very high89.8Confident116 Ų11660 Ų6062%0.6232%0.322SS*.Hα-helixtrans-62.9-41.6176.4-54.6-35.7000111G601 L606 E607 E608G601-D604 PolarHBondContact O-N 3.33Å; D604-L606 VanDerWaalsContact C-N 3.34Å; D604-L606 PolarHBondContact O-N 2.92Å; D604-E607 PolarHBondContact O-N 3.21Å; D604-E608 PolarHBondContact O-N 3.1Å
605W92.9Very high89.3Confident32 Ų3262.2 Ų62.212%0.12133%0.331CS..Hα-helixtrans-63.3-38.1175.7-17990.7000112.2M593 I594 P596 G601 L602 D603 F609 I657 V665M593-W605 HydrophobicContact CB-CZ2 4.01Å; M593-W605 HydrophobicContact CE-CD2 4.1Å; M593-W605 HydrophobicContact CE-CG 4.14Å; M593-W605 HydrophobicContact CE-CZ2 4.33Å; M593-W605 VanDerWaalsContact CE-O 3.3Å; M593-W605 WeakPolarHBondContact CE-O 3.28Å; I594-W605 PolarHBondContact O-NE1 3.02Å; I594-W605 VanDerWaalsContact O-NE1 3.14Å; P596-W605 HydrophobicContact CG-CD2 4.33Å; P596-W605 HydrophobicContact CG-CG 4.33Å; G601-W605 WeakPolarHBondContact O-CB 3.42Å; G601-W605 PolarHBondContact O-N 3.07Å; L602-W605 HydrophobicContact CD1-CE3 4.1Å; L602-W605 PolarHBondContact O-N 3.29Å; D603-W605 VanDerWaalsContact C-N 3.33Å; D603-W605 PolarHBondContact O-N 3.4Å; W605-F609 PolarHBondContact O-N 3.32Å; W605-F609 VanDerWaalsContact O-N 3.14Å; W605-I657 HydrophobicContact CH2-CB 4.42Å; W605-I657 HydrophobicContact CH2-CD1 3.61Å; W605-I657 HydrophobicContact CH2-CG1 3.76Å; W605-I657 HydrophobicContact CH2-CG2 3.74Å; W605-I657 HydrophobicContact CZ2-CD1 4.44Å; W605-I657 HydrophobicContact CZ2-CG1 4.14Å; W605-I657 HydrophobicContact CZ2-CG2 4.14Å; W605-I657 HydrophobicContact CZ3-CD1 4.17Å; W605-V665 HydrophobicContact CH2-CG2 3.76Å; W605-V665 HydrophobicContact CZ3-CG2 3.91Å
606L91.8Very high88.3Confident15 Ų1564 Ų648%0.07934%0.341CS..Hα-helixtrans-69.6-38.4174.6-77.5170.4000112.2L602 D603 D604 E608 F609 Y610 L669 F671L602-L606 HydrophobicContact CG-CD1 4.27Å; L602-L606 WeakPolarHBondContact O-CB 3.3Å; L602-L606 WeakPolarHBondContact O-CG 3.42Å; L602-L606 PolarHBondContact O-N 3.18Å; D603-L606 PolarHBondContact O-N 2.98Å; D604-L606 VanDerWaalsContact C-N 3.34Å; D604-L606 PolarHBondContact O-N 2.92Å; L606-E608 VanDerWaalsContact C-N 3.32Å; L606-F609 PolarHBondContact O-N 3.3Å; L606-Y610 HydrophobicContact CB-CD2 4.47Å; L606-Y610 HydrophobicContact CB-CE2 4.02Å; L606-Y610 WeakPolarHBondContact O-CD2 3.46Å; L606-Y610 PolarHBondContact O-N 3.41Å; L606-L669 HydrophobicContact CD1-CD1 4.21Å; L606-L669 HydrophobicContact CD1-CD2 3.95Å; L606-L669 HydrophobicContact CD2-CD1 3.86Å; L606-F671 HydrophobicContact CD2-CE1 4.32Å; L606-F671 HydrophobicContact CD2-CZ 4.42Å
607E93.3Very high87.2Confident131 Ų13163.6 Ų63.661%0.61234%0.338SS*.Hα-helixtrans-62.9-39.9175.9-173.6165.7-167.400111.6D603 D604 Y610 T611D603-E607 PolarHBondContact O-N 2.94Å; D604-E607 PolarHBondContact O-N 3.21Å; E607-Y610 PolarHBondContact O-N 3.05Å; E607-T611 VanDerWaalsContact O-CB 3.25Å; E607-T611 WeakPolarHBondContact O-CB 3.33Å; E607-T611 PolarHBondContact O-N 3.08Å; E607-T611 PolarHBondContact O-OG1 3.17Å
608E94.2Very high85.7Confident85 Ų8561.9 Ų61.940%0.39735%0.347SS..Hα-helixtrans-59.9-45171.8-177-173.4160.200111.8H591 M593 D604 L606 T611 S612H591-E608 IonicContact CD2-OE1 3.5Å; H591-E608 IonicContact CE1-OE1 3.39Å; H591-E608 IonicContact NE2-OE1 3.19Å; H591-E608 PolarHBondContact NE2-OE1 3.35Å; M593-E608 HydrophobicContact CE-CB 3.94Å; M593-E608 HydrophobicContact CE-CG 3.86Å; D604-E608 PolarHBondContact O-N 3.1Å; L606-E608 VanDerWaalsContact C-N 3.32Å; E608-T611 PolarHBondContact O-N 3.46Å; E608-S612 WeakPolarHBondContact O-CB 3.15Å; E608-S612 PolarHBondContact O-N 2.97Å; E608-S612 PolarHBondContact O-OG 3.29Å
609F94.6Very high84.4Confident0 Ų062 Ų620%034%0.343CS..Hα-helixtrans-61.4-50.3176.8174-103.8000112.1L561 M593 W605 L606 T611 S612 V613 I657 F671 Y675L561-F609 HydrophobicContact CD2-CZ 4.5Å; M593-F609 HydrophobicContact CE-CB 3.99Å; M593-F609 VanDerWaalsContact SD-CA 3.55Å; M593-F609 HydrophobicContact SD-CB 3.63Å; M593-F609 HydrophobicContact SD-CD2 3.91Å; M593-F609 HydrophobicContact SD-CG 4.28Å; W605-F609 PolarHBondContact O-N 3.32Å; W605-F609 VanDerWaalsContact O-N 3.14Å; L606-F609 PolarHBondContact O-N 3.3Å; F609-T611 VanDerWaalsContact C-N 3.31Å; F609-T611 PolarHBondContact O-N 3.41Å; F609-S612 WeakPolarHBondContact CA-OG 3.34Å; F609-S612 PolarHBondContact O-N 2.92Å; F609-S612 PolarHBondContact O-OG 3.49Å; F609-V613 HydrophobicContact CD2-CG2 4.35Å; F609-V613 HydrophobicContact CE1-CG2 4.24Å; F609-V613 HydrophobicContact CE2-CG2 3.87Å; F609-V613 HydrophobicContact CZ-CG2 3.82Å; F609-V613 WeakPolarHBondContact O-CG2 3.25Å; F609-V613 PolarHBondContact O-N 3.39Å; F609-I657 HydrophobicContact CB-CD1 4.46Å; F609-I657 HydrophobicContact CD1-CD1 3.95Å; F609-I657 HydrophobicContact CD2-CD1 3.4Å; F609-I657 HydrophobicContact CD2-CG1 3.57Å; F609-I657 HydrophobicContact CE1-CD1 3.99Å; F609-I657 HydrophobicContact CE2-CD1 3.43Å; F609-I657 VanDerWaalsContact CE2-CD1 3.43Å; F609-I657 HydrophobicContact CE2-CG1 3.62Å; F609-I657 HydrophobicContact CG-CD1 3.65Å; F609-I657 HydrophobicContact CG-CG1 4.26Å; F609-I657 HydrophobicContact CZ-CD1 3.73Å; F609-I657 HydrophobicContact CZ-CG1 4.37Å; F609-F671 HydrophobicContact CD1-CD1 4.36Å; F609-F671 HydrophobicContact CD1-CE1 4.02Å; F609-F671 AromaticContact CE1-CD1 3.7Å; F609-F671 HydrophobicContact CE1-CD1 3.7Å; F609-F671 AromaticContact CE1-CE1 3.72Å; F609-F671 HydrophobicContact CE1-CE1 3.72Å; F609-F671 HydrophobicContact CZ-CD1 4.43Å; F609-F671 HydrophobicContact CZ-CE1 4.47Å; F609-Y675 HydrophobicContact CE1-CD1 4.35Å; F609-Y675 WeakPolarHBondContact CZ-O 3.42Å
610Y94.4Very high82.9Confident60 Ų6059.4 Ų59.424%0.23533%0.327CS..Hα-helixtrans-63.8-38.9179.5-62.8-48.4000111.8L606 E607 V613 N614 D670 F671 Y675L606-Y610 HydrophobicContact CB-CD2 4.47Å; L606-Y610 HydrophobicContact CB-CE2 4.02Å; L606-Y610 WeakPolarHBondContact O-CD2 3.46Å; L606-Y610 PolarHBondContact O-N 3.41Å; E607-Y610 PolarHBondContact O-N 3.05Å; Y610-V613 PolarHBondContact O-N 3.48Å; Y610-N614 VanDerWaalsContact O-CB 3.23Å; Y610-N614 WeakPolarHBondContact O-CB 3.5Å; Y610-N614 PolarHBondContact O-N 3.35Å; Y610-N614 PolarHBondContact O-ND2 3.47Å; Y610-D670 PolarHBondContact OH-O 3.25Å; Y610-D670 VanDerWaalsContact OH-O 3.12Å; Y610-F671 HydrophobicContact CE1-CD1 4.28Å; Y610-Y675 AromaticContact CD1-CD1 3.58Å; Y610-Y675 HydrophobicContact CD1-CD1 3.58Å; Y610-Y675 AromaticContact CD1-CD2 3.99Å; Y610-Y675 HydrophobicContact CD1-CD2 3.99Å; Y610-Y675 AromaticContact CD1-CE1 3.53Å; Y610-Y675 HydrophobicContact CD1-CE1 3.53Å; Y610-Y675 AromaticContact CD1-CE2 3.95Å; Y610-Y675 HydrophobicContact CD1-CE2 3.95Å; Y610-Y675 AromaticContact CD1-CG 3.82Å; Y610-Y675 HydrophobicContact CD1-CG 3.82Å; Y610-Y675 AromaticContact CD1-CZ 3.71Å; Y610-Y675 HydrophobicContact CE1-CD1 4.17Å; Y610-Y675 AromaticContact CE1-CD2 3.95Å; Y610-Y675 HydrophobicContact CE1-CD2 3.95Å; Y610-Y675 HydrophobicContact CE1-CE1 4.41Å; Y610-Y675 HydrophobicContact CE1-CE2 4.2Å; Y610-Y675 AromaticContact CE1-CG 3.93Å; Y610-Y675 HydrophobicContact CE1-CG 3.93Å; Y610-Y675 HydrophobicContact CG-CE1 4.26Å
611T92.6Very high80.9Confident60 Ų6061 Ų6137%0.36832%0.324SS..Hα-helixtrans-62.9-46.5177.7-600000111.4E607 E608 F609 V613 N614 Q615E607-T611 VanDerWaalsContact O-CB 3.25Å; E607-T611 WeakPolarHBondContact O-CB 3.33Å; E607-T611 PolarHBondContact O-N 3.08Å; E607-T611 PolarHBondContact O-OG1 3.17Å; E608-T611 PolarHBondContact O-N 3.46Å; F609-T611 VanDerWaalsContact C-N 3.31Å; F609-T611 PolarHBondContact O-N 3.41Å; T611-V613 PolarHBondContact O-N 3.43Å; T611-N614 PolarHBondContact O-N 2.96Å; T611-Q615 HydrophobicContact CG2-CG 4.45Å; T611-Q615 WeakPolarHBondContact O-CG 3.2Å; T611-Q615 PolarHBondContact O-N 3.1Å
612S91.9Very high78.8Confident1 Ų166.1 Ų66.11%0.00734%0.342CS..Hα-helixtrans-66.2-35.2179.6540000113.1E608 F609 N616 S655E608-S612 WeakPolarHBondContact O-CB 3.15Å; E608-S612 PolarHBondContact O-N 2.97Å; E608-S612 PolarHBondContact O-OG 3.29Å; F609-S612 WeakPolarHBondContact CA-OG 3.34Å; F609-S612 PolarHBondContact O-N 2.92Å; F609-S612 PolarHBondContact O-OG 3.49Å; S612-N616 PolarHBondContact O-ND2 3.19Å; S612-S655 WeakPolarHBondContact CB-OG 3.4Å; S612-S655 PolarHBondContact OG-OG 3.48Å
613V92.9Very high76.3Confident0 Ų074.2 Ų74.20%038%0.376CS..Hα-helixtrans-68.4-46.7171.6175.50000110.7F609 Y610 T611 Q615 N616 V617 S655 S674 Y675F609-V613 HydrophobicContact CD2-CG2 4.35Å; F609-V613 HydrophobicContact CE1-CG2 4.24Å; F609-V613 HydrophobicContact CE2-CG2 3.87Å; F609-V613 HydrophobicContact CZ-CG2 3.82Å; F609-V613 WeakPolarHBondContact O-CG2 3.25Å; F609-V613 PolarHBondContact O-N 3.39Å; Y610-V613 PolarHBondContact O-N 3.48Å; T611-V613 PolarHBondContact O-N 3.43Å; V613-Q615 VanDerWaalsContact C-N 3.33Å; V613-Q615 PolarHBondContact O-N 3.25Å; V613-N616 PolarHBondContact O-N 2.88Å; V613-N616 VanDerWaalsContact O-N 3.15Å; V613-V617 HydrophobicContact CG1-CG2 3.99Å; V613-V617 VanDerWaalsContact O-CG2 3.3Å; V613-V617 WeakPolarHBondContact O-CG2 3.28Å; V613-V617 PolarHBondContact O-N 3.49Å; V613-V617 VanDerWaalsContact O-N 3.11Å; V613-S655 PolarHBondContact N-OG 3.22Å; V613-S674 WeakPolarHBondContact CG1-O 3.29Å; V613-Y675 HydrophobicContact CB-CD1 3.91Å; V613-Y675 HydrophobicContact CB-CE1 4.1Å; V613-Y675 HydrophobicContact CG1-CD1 3.72Å; V613-Y675 HydrophobicContact CG1-CE1 4.03Å; V613-Y675 HydrophobicContact CG2-CD1 4.3Å
614N90.3Very high73.8Confident37 Ų3771.2 Ų71.220%0.19837%0.365CS..Hα-helixtrans-66.3-30.9-174.9-71.8-22.2000113.8Y610 T611 N616 A620 Y675Y610-N614 VanDerWaalsContact O-CB 3.23Å; Y610-N614 WeakPolarHBondContact O-CB 3.5Å; Y610-N614 PolarHBondContact O-N 3.35Å; Y610-N614 PolarHBondContact O-ND2 3.47Å; T611-N614 PolarHBondContact O-N 2.96Å; N614-N616 VanDerWaalsContact C-N 3.28Å; N614-N616 PolarHBondContact O-N 3.25Å; N614-A620 HydrophobicContact CB-CB 3.47Å; N614-A620 VanDerWaalsContact CB-CB 3.47Å; N614-A620 VanDerWaalsContact CG-CB 3.43Å; N614-A620 WeakPolarHBondContact OD1-CB 3.31Å; N614-Y675 PolarHBondContact ND2-OH 3.49Å; N614-Y675 VanDerWaalsContact OD1-CE1 3.32Å; N614-Y675 WeakPolarHBondContact OD1-CE1 3.5Å; N614-Y675 PolarHBondContact OD1-OH 3.35Å; N614-Y675 VanDerWaalsContact OD1-OH 3.08Å
615Q84.2Confident70.9Confident121 Ų12177.3 Ų77.357%0.56538%0.38SS*.Hα-helixtrans-67.8-28.6175.5-75.6175.3-4.200113.1T611 V613T611-Q615 HydrophobicContact CG2-CG 4.45Å; T611-Q615 WeakPolarHBondContact O-CG 3.2Å; T611-Q615 PolarHBondContact O-N 3.1Å; V613-Q615 VanDerWaalsContact C-N 3.33Å; V613-Q615 PolarHBondContact O-N 3.25Å
616N73Confident67.7Low41 Ų4186.3 Ų86.322%0.21941%0.413CS..Hα-helixtrans-99.9-11.3-174.8-65.8-39000113.4S612 V613 N614 Q652 G654S612-N616 PolarHBondContact O-ND2 3.19Å; V613-N616 PolarHBondContact O-N 2.88Å; V613-N616 VanDerWaalsContact O-N 3.15Å; N614-N616 VanDerWaalsContact C-N 3.28Å; N614-N616 PolarHBondContact O-N 3.25Å; N616-Q652 WeakPolarHBondContact CB-O 3.43Å; N616-Q652 PolarHBondContact OD1-O 2.87Å; N616-G654 PolarHBondContact ND2-N 3.46Å
617V65.8Low64.6Low20 Ų2094.2 Ų94.212%0.12145%0.447CS..SBendtrans-91.8118.8171.7178.20000107.1V613 N619 A620V613-V617 HydrophobicContact CG1-CG2 3.99Å; V613-V617 VanDerWaalsContact O-CG2 3.3Å; V613-V617 WeakPolarHBondContact O-CG2 3.28Å; V613-V617 PolarHBondContact O-N 3.49Å; V613-V617 VanDerWaalsContact O-N 3.11Å; V617-N619 HydrophobicContact CG1-CB 4.03Å; V617-N619 PolarHBondContact O-N 3.2Å; V617-A620 HydrophobicContact CB-CB 4.47Å; V617-A620 PolarHBondContact O-N 2.67Å
618P53.5Low61.4Low120 Ų12093.7 Ų93.778%0.77946%0.458SS*.THydrogen-bonded Turntrans-56.9-4.4177.3-24.733.4000115.3
619N56Low58.2Low65 Ų6597 Ų9735%0.34848%0.477SS..THydrogen-bonded Turntrans-135.89.4-159.9-65-25.5000114.5V617 K621 K841V617-N619 HydrophobicContact CG1-CB 4.03Å; V617-N619 PolarHBondContact O-N 3.2Å; N619-K621 VanDerWaalsContact C-N 3.35Å; N619-K621 PolarHBondContact O-N 2.91Å; N619-K841 PolarHBondContact OD1-NZ 3.37Å
620A47.1Very low55Low33 Ų33100 Ų10027%0.27351%0.509SS..  trans-69.991.1178.300000111N614 V617 L622N614-A620 HydrophobicContact CB-CB 3.47Å; N614-A620 VanDerWaalsContact CB-CB 3.47Å; N614-A620 VanDerWaalsContact CG-CB 3.43Å; N614-A620 WeakPolarHBondContact OD1-CB 3.31Å; V617-A620 HydrophobicContact CB-CB 4.47Å; V617-A620 PolarHBondContact O-N 2.67Å; A620-L622 PolarHBondContact O-N 2.82Å
621K42.4Very low51.6Low153 Ų153106.8 Ų106.867%0.66554%0.542SS*.  trans-51.3111.7164.6-72.9179.9-177170.10106.3N619 K623 E844N619-K621 VanDerWaalsContact C-N 3.35Å; N619-K621 PolarHBondContact O-N 2.91Å; K621-K623 PolarHBondContact O-N 2.94Å; K621-E844 IonicContact NZ-OE2 3.59Å; K621-E844 PolarHBondContact NZ-OE2 2.91Å
622L37.7Very low48.4Very low142 Ų142108.5 Ų108.574%0.74356%0.563SS**  trans-62.283179.2-161.384.8000108.7A620 S624A620-L622 PolarHBondContact O-N 2.82Å; L622-S624 PolarHBondContact O-N 3.26Å
623K33.7Very low45.1Very low199 Ų199115.6 Ų115.687%0.86560%0.6SS**  trans-72.459.5160.9-76-176.8-178.6168.10107.5K621 R625K621-K623 PolarHBondContact O-N 2.94Å; K623-R625 PolarHBondContact O-N 2.96Å
624S35.6Very low41.9Very low65 Ų65122.9 Ų122.946%0.45564%0.639SS.*  trans-56.6114.5166.1174.50000106L622 R626L622-S624 PolarHBondContact O-N 3.26Å; S624-R626 PolarHBondContact O-N 3.45Å
625R30.3Very low38.7Very low244 Ų244129 Ų12992%0.92167%0.672SS**  trans-63.973.4158.8-74.8169.790.6161.32.8106.5K623 K627K623-R625 PolarHBondContact O-N 2.96Å; R625-K627 PolarHBondContact O-N 3.48Å
626R25.6Very low35.8Very low220 Ų220132.1 Ų132.183%0.8369%0.686SS**  trans-62.693.4162-89.4-174.4161.9130-3.1105.8S624 S628S624-R626 PolarHBondContact O-N 3.45Å; R626-S628 PolarHBondContact O-N 2.89Å; R626-S628 VanDerWaalsContact O-N 3.1Å
627K28.5Very low33.5Very low181 Ų181135.5 Ų135.579%0.78771%0.714SS**  trans-51.9116.8154.1-83.7177.6177.61690105R625 I629R625-K627 PolarHBondContact O-N 3.48Å; K627-I629 PolarHBondContact O-N 2.76Å
628S25.4Very low31.7Very low121 Ų121140.8 Ų140.885%0.84675%0.748SS**  trans-62.989.2171.461.40000108R626R626-S628 PolarHBondContact O-N 2.89Å; R626-S628 VanDerWaalsContact O-N 3.1Å
629I26.5Very low30.2Very low153 Ų153139.8 Ų139.879%0.78574%0.744SS**  trans-93.5124.3160.9-67.5175.2000105.1K627K627-I629 PolarHBondContact O-N 2.76Å
630G27.8Very low28.7Very low65 Ų65141.8 Ų141.867%0.6776%0.763SS**  trans-55.3153.1-170.100000113.9A632G630-A632 PolarHBondContact O-N 3.07Å
631Q22.3Very low27.6Very low202 Ų202146 Ų14694%0.94479%0.786SS**  trans-19111.7162.7-66.6167.80.300114.1
632A26.9Very low26.7Very low96 Ų96144.8 Ų144.879%0.79379%0.791SS**  trans-136.8108.5147.400000107.3G630 N634G630-A632 PolarHBondContact O-N 3.07Å; A632-N634 PolarHBondContact O-N 3.15Å
633N21.1Very low26.2Very low150 Ų150145.6 Ų145.680%0.80280%0.795SS**  trans-50.8129.6160.3-72.6-25.5000108.6
634N26Very low26Very low152 Ų152143.3 Ų143.381%0.81379%0.793SS**  177.8139.2116.7-84.4-17.9000110.7A632 E636A632-N634 PolarHBondContact O-N 3.15Å; N634-E636 PolarHBondContact O-N 3.45Å
635N22.9Very low25.7Very low165 Ų165144 Ų14488%0.88281%0.81SS**  trans-62.2101.5178.9-62.9-37.3000111.4
636E24.5Very low26Very low187 Ų187138.5 Ų138.587%0.87480%0.799SS**  trans-142.2119.4152.8-71-166.8165.600109.4N634N634-E636 PolarHBondContact O-N 3.45Å
637S23.9Very low26.9Very low113 Ų113133.6 Ų133.679%0.7980%0.798SS**  trans-54.9133.9176.9-470000110.4S639S637-S639 PolarHBondContact O-N 3.12Å
638P27.8Very low27.9Very low130 Ų130128 Ų12884%0.84478%0.777SS**  trans-69.2105-174.926.3-31.1000110.1S640P638-S640 PolarHBondContact O-N 3.49Å
639S23.2Very low29.2Very low99 Ų99126 Ų12669%0.69276%0.759SS**  trans-61.2120.8159.7470000107.9S637 T641S637-S639 PolarHBondContact O-N 3.12Å; S639-T641 PolarHBondContact O-N 3.41Å; S639-T641 PolarHBondContact O-OG1 3.13Å
640S24.6Very low30.7Very low107 Ų107126.7 Ų126.775%0.74876%0.764SS**  trans-53.194.3178.755.70000110.7P638 T642P638-S640 PolarHBondContact O-N 3.49Å; S640-T642 VanDerWaalsContact C-N 3.35Å; S640-T642 PolarHBondContact O-N 3.11Å; S640-T642 VanDerWaalsContact O-N 3.16Å
641T23.8Very low32.8Very low122 Ų122130.1 Ų130.175%0.74877%0.767SS**  trans-82.692.7166.5-50.30000106.2S639 L643S639-T641 PolarHBondContact O-N 3.41Å; S639-T641 PolarHBondContact O-OG1 3.13Å; T641-L643 PolarHBondContact O-N 3.38Å
642T23.6Very low35.9Very low127 Ų127121.2 Ų121.278%0.77973%0.725SS**  trans-56.297.7171.226.90000109.7S640 N644S640-T642 VanDerWaalsContact C-N 3.35Å; S640-T642 PolarHBondContact O-N 3.11Å; S640-T642 VanDerWaalsContact O-N 3.16Å; T642-N644 PolarHBondContact O-N 3.16Å; T642-N644 VanDerWaalsContact O-N 3.15Å
643L27.4Very low39Very low159 Ų159119.4 Ų119.483%0.83270%0.704SS**  trans-66.7106.8162.3-85.8132.9000108T641T641-L643 PolarHBondContact O-N 3.38Å
644N28.7Very low42.5Very low151 Ų151112.2 Ų112.281%0.80767%0.666SS**SBendtrans35.585.4157.5-66.6-21.7000117.5T642 N646T642-N644 PolarHBondContact O-N 3.16Å; T642-N644 VanDerWaalsContact O-N 3.15Å; N644-N646 VanDerWaalsContact C-N 3.33Å; N644-N646 PolarHBondContact O-N 2.92Å
645G30Very low45.8Very low79 Ų79105 Ų10581%0.81463%0.627SS**SBend73.6-17.5127.400000121.1
646N36.5Very low49.4Very low130 Ų13097.1 Ų97.170%0.69559%0.585SS**  trans-101.589.4172.5-76.8-4.7000109.3N644 L648N644-N646 VanDerWaalsContact C-N 3.33Å; N644-N646 PolarHBondContact O-N 2.92Å; N646-L648 PolarHBondContact O-N 3.19Å
647S42.8Very low52.9Low117 Ų11788.2 Ų88.282%0.81854%0.543SS*.  trans-61.8103.3169.8-168.80000108.1V649S647-V649 PolarHBondContact O-N 3.42Å
648L49.9Very low56.4Low64 Ų6482.9 Ų82.934%0.33551%0.506SS..  trans-55.4124.9175.6-71.3164.9000109.1H591 N646 L650H591-L648 WeakPolarHBondContact ND1-CD2 3.38Å; N646-L648 PolarHBondContact O-N 3.19Å; L648-L650 PolarHBondContact O-N 3.22Å
649V54.2Low59.7Low79 Ų7976.7 Ų76.748%0.47947%0.466SS..  trans-74.3122.6-177.1-177.60000108.6S647 N651 Q652S647-V649 PolarHBondContact O-N 3.42Å; V649-N651 PolarHBondContact O-N 3Å; V649-Q652 HydrophobicContact CB-CG 4.47Å; V649-Q652 PolarHBondContact O-N 3.27Å
650L56.4Low63.1Low167 Ų16772.3 Ų72.387%0.87444%0.435SS*.THydrogen-bonded Turntrans-57.5-0.6-174.9-79.8160000116.6L648L648-L650 PolarHBondContact O-N 3.22Å
651N73.5Confident66.5Low137 Ų13767.8 Ų67.873%0.73340%0.403SS*.THydrogen-bonded Turntrans-123.217.2-172-69.6-15.6000114.3V649V649-N651 PolarHBondContact O-N 3Å
652Q87Confident69.6Low15 Ų1567 Ų677%0.0739%0.386CS..  trans-76.3151.1176.5-69.7171.9-22.600111.2N587 I589 K590 H591 N616 V649N587-Q652 PolarHBondContact O-NE2 3.32Å; I589-Q652 CarbonylContact O-C 3.37Å; I589-Q652 WeakPolarHBondContact O-CA 3.42Å; K590-Q652 PolarHBondContact O-NE2 3.44Å; H591-Q652 VanDerWaalsContact N-CD 3.33Å; N616-Q652 WeakPolarHBondContact CB-O 3.43Å; N616-Q652 PolarHBondContact OD1-O 2.87Å; V649-Q652 HydrophobicContact CB-CG 4.47Å; V649-Q652 PolarHBondContact O-N 3.27Å
653T90.7Very high72.6Confident57 Ų5761.2 Ų61.235%0.3535%0.352SS..  trans-97.611178.7610000112.5G558 I589 K590G558-T653 PolarHBondContact N-O 3.25Å; I589-T653 PolarHBondContact O-N 3.05Å; I589-T653 PolarHBondContact O-OG1 2.69Å; I589-T653 VanDerWaalsContact O-OG1 3.05Å; K590-T653 WeakPolarHBondContact CE-OG1 3.27Å; K590-T653 PolarHBondContact NZ-O 3.04Å; K590-T653 PolarHBondContact NZ-OG1 3Å
654G94.4Very high75.3Confident0 Ų056.5 Ų56.50%032%0.324CS..EExtended strand (participates in β ladder)trans136.8-150.7-173.700000111.9G558 K590 H591 N616G558-G654 WeakPolarHBondContact O-CA 3.49Å; K590-G654 CarbonylContact C-O 3.53Å; K590-G654 VanDerWaalsContact CA-O 3.31Å; K590-G654 WeakPolarHBondContact CA-O 3.47Å; K590-G654 VanDerWaalsContact CD-C 3.46Å; H591-G654 PolarHBondContact N-O 2.94Å; N616-G654 PolarHBondContact ND2-N 3.46Å
655S96.4Very high78.1Confident0 Ų049.3 Ų49.30%029%0.286CS..EExtended strand (participates in β ladder)trans-135.3151.5-171.7-490000111.6G558 G559 V560 H591 S612 V613G558-S655 PolarHBondContact O-N 3.31Å; G558-S655 VanDerWaalsContact O-N 3.14Å; G559-S655 CarbonylContact C-O 3.44Å; G559-S655 VanDerWaalsContact CA-O 3.3Å; G559-S655 WeakPolarHBondContact CA-O 3.47Å; V560-S655 PolarHBondContact N-O 3.26Å; H591-S655 CarbonylContact O-C 3.49Å; H591-S655 WeakPolarHBondContact O-CA 3.38Å; S612-S655 WeakPolarHBondContact CB-OG 3.4Å; S612-S655 PolarHBondContact OG-OG 3.48Å; V613-S655 PolarHBondContact N-OG 3.22Å
656I97.7Very high80.9Confident0 Ų045.5 Ų45.50%025%0.247CC..EExtended strand (participates in β ladder)trans-122.1130.9172.1-179.7167000109.9V549 V560 C562 L586 K590 H591 V592 M593 F658V549-I656 HydrophobicContact CG1-CD1 3.57Å; V560-I656 HydrophobicContact CB-CB 4.15Å; V560-I656 HydrophobicContact CB-CD1 4.33Å; V560-I656 HydrophobicContact CB-CG1 4.04Å; V560-I656 HydrophobicContact CG1-CD1 3.98Å; V560-I656 HydrophobicContact CG1-CG1 4.11Å; V560-I656 CarbonylContact O-C 3.57Å; V560-I656 VanDerWaalsContact O-CA 3.3Å; V560-I656 WeakPolarHBondContact O-CA 3.36Å; C562-I656 HydrophobicContact CB-CD1 4.14Å; C562-I656 HydrophobicContact CB-CG1 4.46Å; L586-I656 HydrophobicContact CD2-CG2 4.2Å; L586-I656 HydrophobicContact CG-CG2 4.37Å; K590-I656 HydrophobicContact CB-CB 4.25Å; K590-I656 HydrophobicContact CB-CG2 3.77Å; K590-I656 HydrophobicContact CG-CB 4.49Å; K590-I656 HydrophobicContact CG-CG2 4.43Å; H591-I656 PolarHBondContact O-N 2.97Å; V592-I656 HydrophobicContact CB-CG2 4.21Å; V592-I656 HydrophobicContact CG1-CG2 4.36Å; V592-I656 HydrophobicContact CG2-CG2 3.76Å; M593-I656 PolarHBondContact N-O 2.97Å; I656-F658 HydrophobicContact CD1-CE1 4.04Å; I656-F658 HydrophobicContact CD1-CE2 4.11Å; I656-F658 HydrophobicContact CD1-CZ 3.71Å; I656-F658 HydrophobicContact CG1-CE2 4.3Å; I656-F658 HydrophobicContact CG1-CZ 4.35Å; I656-F658 HydrophobicContact CG2-CE2 4.28Å
657I97.8Very high83Confident0 Ų043.2 Ų43.20%023%0.232CC..EExtended strand (participates in β ladder)trans-101.7124.8169.5-68165.8000108.9V560 L561 C562 M593 W605 F609 A659 V665 F671V560-I657 PolarHBondContact O-N 3.46Å; L561-I657 HydrophobicContact CD2-CB 4.03Å; L561-I657 HydrophobicContact CD2-CD1 3.82Å; L561-I657 HydrophobicContact CD2-CG1 4.37Å; C562-I657 PolarHBondContact N-O 3.1Å; M593-I657 HydrophobicContact CB-CG1 4.34Å; M593-I657 CarbonylContact O-C 3.48Å; M593-I657 WeakPolarHBondContact O-CA 3.45Å; W605-I657 HydrophobicContact CH2-CB 4.42Å; W605-I657 HydrophobicContact CH2-CD1 3.61Å; W605-I657 HydrophobicContact CH2-CG1 3.76Å; W605-I657 HydrophobicContact CH2-CG2 3.74Å; W605-I657 HydrophobicContact CZ2-CD1 4.44Å; W605-I657 HydrophobicContact CZ2-CG1 4.14Å; W605-I657 HydrophobicContact CZ2-CG2 4.14Å; W605-I657 HydrophobicContact CZ3-CD1 4.17Å; F609-I657 HydrophobicContact CB-CD1 4.46Å; F609-I657 HydrophobicContact CD1-CD1 3.95Å; F609-I657 HydrophobicContact CD2-CD1 3.4Å; F609-I657 HydrophobicContact CD2-CG1 3.57Å; F609-I657 HydrophobicContact CE1-CD1 3.99Å; F609-I657 HydrophobicContact CE2-CD1 3.43Å; F609-I657 VanDerWaalsContact CE2-CD1 3.43Å; F609-I657 HydrophobicContact CE2-CG1 3.62Å; F609-I657 HydrophobicContact CG-CD1 3.65Å; F609-I657 HydrophobicContact CG-CG1 4.26Å; F609-I657 HydrophobicContact CZ-CD1 3.73Å; F609-I657 HydrophobicContact CZ-CG1 4.37Å; I657-A659 HydrophobicContact CG2-CB 4.03Å; I657-V665 HydrophobicContact CG2-CG1 4.06Å; I657-V665 HydrophobicContact CG2-CG2 4.3Å; I657-F671 HydrophobicContact CD1-CE1 3.98Å; I657-F671 HydrophobicContact CD1-CZ 4.16Å
658F98.2Very high84.2Confident0 Ų040.9 Ų40.90%023%0.227CC..EExtended strand (participates in β ladder)trans-92117.4160.9-66.2-76.3000110V549 C562 L564 L570 I574 W577 L586 V592 M593 I594 E595 I656V549-F658 HydrophobicContact CG1-CE1 4.23Å; V549-F658 HydrophobicContact CG1-CZ 3.97Å; C562-F658 HydrophobicContact CB-CD1 3.68Å; C562-F658 HydrophobicContact CB-CE1 3.85Å; C562-F658 WeakPolarHBondContact O-CA 3.39Å; L564-F658 HydrophobicContact CD1-CB 4.44Å; L564-F658 HydrophobicContact CD1-CD1 4.1Å; L570-F658 HydrophobicContact CD1-CB 3.6Å; L570-F658 HydrophobicContact CD1-CD1 4.44Å; L570-F658 HydrophobicContact CD1-CG 4.17Å; L570-F658 HydrophobicContact CD2-CB 4.46Å; I574-F658 HydrophobicContact CD1-CD2 4.14Å; I574-F658 HydrophobicContact CD1-CE2 4.31Å; W577-F658 HydrophobicContact CE3-CZ 4.39Å; W577-F658 AromaticContact CH2-CE1 3.98Å; W577-F658 HydrophobicContact CH2-CE1 3.98Å; W577-F658 HydrophobicContact CH2-CZ 4.31Å; W577-F658 HydrophobicContact CZ3-CD1 4.38Å; W577-F658 AromaticContact CZ3-CE1 3.57Å; W577-F658 HydrophobicContact CZ3-CE1 3.57Å; W577-F658 HydrophobicContact CZ3-CE2 4.37Å; W577-F658 AromaticContact CZ3-CZ 3.55Å; W577-F658 HydrophobicContact CZ3-CZ 3.55Å; L586-F658 HydrophobicContact CD2-CE2 3.75Å; L586-F658 HydrophobicContact CD2-CZ 3.63Å; V592-F658 HydrophobicContact CG1-CD2 3.81Å; V592-F658 HydrophobicContact CG1-CE2 3.64Å; M593-F658 PolarHBondContact O-N 3.5Å; I594-F658 HydrophobicContact CG1-CB 4.43Å; E595-F658 PolarHBondContact N-O 3.27Å; I656-F658 HydrophobicContact CD1-CE1 4.04Å; I656-F658 HydrophobicContact CD1-CE2 4.11Å; I656-F658 HydrophobicContact CD1-CZ 3.71Å; I656-F658 HydrophobicContact CG1-CE2 4.3Å; I656-F658 HydrophobicContact CG1-CZ 4.35Å; I656-F658 HydrophobicContact CG2-CE2 4.28Å
659A96.6Very high85.7Confident1 Ų139.2 Ų39.21%0.00822%0.218CC..EExtended strand (participates in β ladder)trans-131.2167.1-178.200000110.6C562 F563 L564 E595 I657 V665C562-A659 PolarHBondContact O-N 3.4Å; F563-A659 CarbonylContact C-O 3.58Å; F563-A659 WeakPolarHBondContact CA-O 3.46Å; F563-A659 HydrophobicContact CD1-CB 3.77Å; F563-A659 HydrophobicContact CE1-CB 3.73Å; L564-A659 WeakPolarHBondContact CD1-O 3.44Å; L564-A659 PolarHBondContact N-O 3.44Å; E595-A659 HydrophobicContact CB-CB 4.16Å; E595-A659 WeakPolarHBondContact OE2-CB 3.35Å; I657-A659 HydrophobicContact CG2-CB 4.03Å; A659-V665 HydrophobicContact CB-CB 3.68Å; A659-V665 HydrophobicContact CB-CG1 3.76Å; A659-V665 HydrophobicContact CB-CG2 4.3Å
660V95.7Very high87Confident7 Ų740 Ų404%0.04222%0.22CC..EExtended strand (participates in β ladder)trans-106.1147.9173.2-59.30000110.3L564 S566 Y567 L570 E595 R662 G663L564-V660 CarbonylContact O-C 3.56Å; L564-V660 VanDerWaalsContact O-CA 3.29Å; L564-V660 WeakPolarHBondContact O-CA 3.3Å; S566-V660 VanDerWaalsContact C-CG1 3.49Å; Y567-V660 HydrophobicContact CD1-CG1 3.7Å; Y567-V660 HydrophobicContact CD1-CG2 4.42Å; Y567-V660 HydrophobicContact CD2-CG1 4.24Å; Y567-V660 HydrophobicContact CD2-CG2 4.04Å; Y567-V660 HydrophobicContact CE1-CG1 3.86Å; Y567-V660 HydrophobicContact CE1-CG2 3.91Å; Y567-V660 HydrophobicContact CE2-CG1 4.4Å; Y567-V660 HydrophobicContact CE2-CG2 3.5Å; Y567-V660 HydrophobicContact CG-CG1 3.89Å; Y567-V660 HydrophobicContact CG-CG2 4.47Å; Y567-V660 VanDerWaalsContact CZ-CG2 3.41Å; L570-V660 HydrophobicContact CD2-CG1 4.28Å; E595-V660 PolarHBondContact OE2-N 3.25Å; V660-R662 PolarHBondContact O-N 3.28Å; V660-G663 WeakPolarHBondContact O-CA 3.31Å; V660-G663 PolarHBondContact O-N 3.5Å
661C94.5Very high88.7Confident11 Ų1132 Ų327%0.07418%0.178CC..THydrogen-bonded Turntrans-60138.4165.8-62.40000109.1L564 G663 P685 A769L564-C661 PolarHBondContact O-N 2.9Å; C661-G663 PolarHBondContact O-N 3.26Å; C661-P685 HydrophobicContact CB-CB 3.32Å; C661-P685 HydrophobicContact CB-CG 3.67Å; C661-A769 HydrophobicContact CB-CB 4.3Å
662R89Confident89.5Confident106 Ų10626.4 Ų26.440%0.415%0.15SC..THydrogen-bonded Turntrans67.29.5-169.5-42.3174.8-175.4-165.2-7.8113.9V660 S666 Q765 A769V660-R662 PolarHBondContact O-N 3.28Å; R662-S666 WeakPolarHBondContact CA-OG 3.36Å; R662-S666 PolarHBondContact N-OG 3.03Å; R662-Q765 PolarHBondContact NH2-O 2.75Å; R662-A769 HydrophobicContact CG-CB 3.49Å; R662-A769 VanDerWaalsContact CG-CB 3.49Å
663G87.2Confident89.7Confident5 Ų528.5 Ų28.55%0.05216%0.162CC..SBendtrans-77.2164.2165.800000110.8V660 C661 V665 S666 E667V660-G663 WeakPolarHBondContact O-CA 3.31Å; V660-G663 PolarHBondContact O-N 3.5Å; C661-G663 PolarHBondContact O-N 3.26Å; G663-V665 PolarHBondContact O-N 2.8Å; G663-S666 PolarHBondContact N-OG 3.48Å; G663-S666 VanDerWaalsContact N-OG 3.13Å; G663-S666 PolarHBondContact O-N 3.05Å; G663-S666 PolarHBondContact O-OG 2.73Å; G663-E667 PolarHBondContact O-N 3.45Å
664K84.7Confident89.9Confident60 Ų6027 Ų2726%0.26115%0.154SC..THydrogen-bonded Turntrans-58.8-31.1175.1-54.3-176.4-163.7103.20112.9E595 P596 R597 S598 L602 S666 E667E595-K664 WeakPolarHBondContact OE1-CA 3.37Å; E595-K664 VanDerWaalsContact OE1-CB 3.25Å; E595-K664 WeakPolarHBondContact OE1-CB 3.37Å; E595-K664 PolarHBondContact OE1-N 3.06Å; P596-K664 PolarHBondContact O-NZ 3.28Å; R597-K664 PolarHBondContact O-NZ 3.17Å; S598-K664 PolarHBondContact O-NZ 3.07Å; L602-K664 HydrophobicContact CD2-CD 4.19Å; K664-S666 VanDerWaalsContact C-N 3.32Å; K664-E667 CarbonylContact O-C 3.55Å; K664-E667 PolarHBondContact O-N 3.4Å
665V87.4Confident89.9Confident0 Ų029.6 Ų29.60%016%0.164CC..THydrogen-bonded Turntrans-70.2-33.8175.9170.90000111.2F563 E595 W605 I657 A659 G663 E667 L669 F671F563-V665 HydrophobicContact CE1-CG1 3.98Å; F563-V665 HydrophobicContact CZ-CG1 4.16Å; E595-V665 HydrophobicContact CB-CG2 3.94Å; E595-V665 HydrophobicContact CG-CB 4.38Å; E595-V665 HydrophobicContact CG-CG2 3.64Å; E595-V665 PolarHBondContact OE1-N 3.29Å; W605-V665 HydrophobicContact CH2-CG2 3.76Å; W605-V665 HydrophobicContact CZ3-CG2 3.91Å; I657-V665 HydrophobicContact CG2-CG1 4.06Å; I657-V665 HydrophobicContact CG2-CG2 4.3Å; A659-V665 HydrophobicContact CB-CB 3.68Å; A659-V665 HydrophobicContact CB-CG1 3.76Å; A659-V665 HydrophobicContact CB-CG2 4.3Å; G663-V665 PolarHBondContact O-N 2.8Å; V665-E667 VanDerWaalsContact C-N 3.26Å; V665-E667 PolarHBondContact O-N 2.94Å; V665-L669 HydrophobicContact CB-CD1 4.39Å; V665-L669 HydrophobicContact CG2-CD1 4.09Å; V665-F671 HydrophobicContact CG1-CE2 3.87Å; V665-F671 HydrophobicContact CG1-CZ 3.92Å
666S87.8Confident89.9Confident0 Ų029.6 Ų29.60%016%0.164CC..THydrogen-bonded Turntrans-73.3-20.7176.474.50000112.9R662 G663 K664 R776R662-S666 WeakPolarHBondContact CA-OG 3.36Å; R662-S666 PolarHBondContact N-OG 3.03Å; G663-S666 PolarHBondContact N-OG 3.48Å; G663-S666 VanDerWaalsContact N-OG 3.13Å; G663-S666 PolarHBondContact O-N 3.05Å; G663-S666 PolarHBondContact O-OG 2.73Å; K664-S666 VanDerWaalsContact C-N 3.32Å; S666-R776 VanDerWaalsContact O-CZ 3.31Å; S666-R776 PolarHBondContact O-NE 2.93Å; S666-R776 PolarHBondContact O-NH2 3.42Å
667E80.4Confident89.9Confident81 Ų8130 Ų3038%0.37917%0.165SC..SBendtrans-115.1125.8-174.9-63.2-170.2-170.900112.6G663 K664 V665 L669G663-E667 PolarHBondContact O-N 3.45Å; K664-E667 CarbonylContact O-C 3.55Å; K664-E667 PolarHBondContact O-N 3.4Å; V665-E667 VanDerWaalsContact C-N 3.26Å; V665-E667 PolarHBondContact O-N 2.94Å; E667-L669 PolarHBondContact O-N 2.84Å
668G69.4Low89.9Confident69 Ų6930 Ų3071%0.71117%0.165SC*.SBendtrans71.4-4.9164.600000117.9
669L81.7Confident89.9Confident28 Ų2830 Ų3015%0.14717%0.165CC..  trans-87.6149.2172.5-58-171.1000112.5L606 V665 E667 F671 R776 R779L606-L669 HydrophobicContact CD1-CD1 4.21Å; L606-L669 HydrophobicContact CD1-CD2 3.95Å; L606-L669 HydrophobicContact CD2-CD1 3.86Å; V665-L669 HydrophobicContact CB-CD1 4.39Å; V665-L669 HydrophobicContact CG2-CD1 4.09Å; E667-L669 PolarHBondContact O-N 2.84Å; L669-F671 HydrophobicContact CB-CD2 4.33Å; L669-F671 HydrophobicContact CB-CE2 3.62Å; L669-F671 HydrophobicContact CB-CZ 3.94Å; L669-F671 HydrophobicContact CD1-CE2 4.25Å; L669-F671 HydrophobicContact CD1-CZ 3.89Å; L669-R776 PolarHBondContact O-NH1 3.41Å; L669-R779 PolarHBondContact O-NH1 3.35Å; L669-R779 VanDerWaalsContact O-NH1 3.08Å; L669-R779 PolarHBondContact O-NH2 3.02Å
670D81.3Confident90Very high96 Ų9630 Ų3051%0.51317%0.165SC..  trans-112113.7-177.4-163.529.3000111.2Y610 R779Y610-D670 PolarHBondContact OH-O 3.25Å; Y610-D670 VanDerWaalsContact OH-O 3.12Å; D670-R779 WeakPolarHBondContact OD1-CD 3.36Å; D670-R779 WeakPolarHBondContact OD1-CG 3.4Å; D670-R779 IonicContact OD1-CZ 3.28Å; D670-R779 IonicContact OD1-NE 2.82Å; D670-R779 PolarHBondContact OD1-NE 3.36Å; D670-R779 IonicContact OD1-NH1 2.75Å; D670-R779 PolarHBondContact OD1-NH1 2.98Å; D670-R779 VanDerWaalsContact OD1-NH1 3.17Å
671F90.6Very high90.1Very high0 Ų029.7 Ų29.70%016%0.164CC..  trans-122.689.3179.7-58.6-76000106.9L561 L606 F609 Y610 I657 V665 L669 A676 R779L561-F671 HydrophobicContact CD1-CB 4.27Å; L561-F671 HydrophobicContact CD1-CD2 3.61Å; L561-F671 HydrophobicContact CD1-CE2 4.09Å; L561-F671 HydrophobicContact CD1-CG 3.98Å; L561-F671 HydrophobicContact CD2-CD1 4.44Å; L561-F671 HydrophobicContact CD2-CD2 4.45Å; L561-F671 HydrophobicContact CD2-CE1 4.39Å; L561-F671 HydrophobicContact CD2-CE2 4.41Å; L561-F671 HydrophobicContact CD2-CG 4.47Å; L561-F671 HydrophobicContact CD2-CZ 4.38Å; L606-F671 HydrophobicContact CD2-CE1 4.32Å; L606-F671 HydrophobicContact CD2-CZ 4.42Å; F609-F671 HydrophobicContact CD1-CD1 4.36Å; F609-F671 HydrophobicContact CD1-CE1 4.02Å; F609-F671 AromaticContact CE1-CD1 3.7Å; F609-F671 HydrophobicContact CE1-CD1 3.7Å; F609-F671 AromaticContact CE1-CE1 3.72Å; F609-F671 HydrophobicContact CE1-CE1 3.72Å; F609-F671 HydrophobicContact CZ-CD1 4.43Å; F609-F671 HydrophobicContact CZ-CE1 4.47Å; Y610-F671 HydrophobicContact CE1-CD1 4.28Å; I657-F671 HydrophobicContact CD1-CE1 3.98Å; I657-F671 HydrophobicContact CD1-CZ 4.16Å; V665-F671 HydrophobicContact CG1-CE2 3.87Å; V665-F671 HydrophobicContact CG1-CZ 3.92Å; L669-F671 HydrophobicContact CB-CD2 4.33Å; L669-F671 HydrophobicContact CB-CE2 3.62Å; L669-F671 HydrophobicContact CB-CZ 3.94Å; L669-F671 HydrophobicContact CD1-CE2 4.25Å; L669-F671 HydrophobicContact CD1-CZ 3.89Å; F671-A676 HydrophobicContact CB-CB 3.66Å; F671-R779 WeakPolarHBondContact O-CG 3.27Å
672A90.2Very high90.3Very high18 Ų1829.3 Ų29.315%0.14916%0.161CC..  trans-93153.4178.300000110.8S674 Y675 R779A672-S674 PolarHBondContact O-N 3.38Å; A672-Y675 WeakPolarHBondContact O-CB 3.38Å; A672-Y675 WeakPolarHBondContact O-CD2 3.47Å; A672-Y675 PolarHBondContact O-N 2.7Å; A672-Y675 VanDerWaalsContact O-N 3.11Å; A672-R779 HydrophobicContact CB-CB 3.89Å; A672-R779 HydrophobicContact CB-CG 3.99Å
673D92Very high90.6Very high60 Ų6024.3 Ų24.332%0.32114%0.143SC..G310 helixtrans56-128.7169.5-54-55000112.5Y675 A676 H780 D783D673-Y675 PolarHBondContact O-N 2.92Å; D673-A676 PolarHBondContact O-N 3.43Å; D673-H780 IonicContact OD1-CE1 2.73Å; D673-H780 PolarHBondContact OD1-CE1 3.04Å; D673-H780 IonicContact OD1-NE2 3.67Å; D673-H780 PolarHBondContact OD1-NE2 3.48Å; D673-H780 VanDerWaalsContact OD1-NE2 3.13Å; D673-H780 IonicContact OD2-NE2 3.75Å; D673-D783 WeakPolarHBondContact CA-OD1 3.29Å; D673-D783 PolarHBondContact N-OD1 2.74Å; D673-D783 PolarHBondContact N-OD2 2.98Å
674S94.5Very high91.1Very high25 Ų2524.3 Ų24.318%0.17514%0.141CC..G310 helixtrans-57.4-13.5-179.7-53.10000114.3G559 V613 A672G559-S674 WeakPolarHBondContact CA-O 3.27Å; G559-S674 PolarHBondContact N-O 2.95Å; V613-S674 WeakPolarHBondContact CG1-O 3.29Å; A672-S674 PolarHBondContact O-N 3.38Å
675Y95.4Very high91.6Very high54 Ų5421.6 Ų21.621%0.21213%0.13CC..G310 helixtrans-80.5-13.9-179.4-57.3-47.7000114F609 Y610 V613 N614 A672 D673F609-Y675 HydrophobicContact CE1-CD1 4.35Å; F609-Y675 WeakPolarHBondContact CZ-O 3.42Å; Y610-Y675 AromaticContact CD1-CD1 3.58Å; Y610-Y675 HydrophobicContact CD1-CD1 3.58Å; Y610-Y675 AromaticContact CD1-CD2 3.99Å; Y610-Y675 HydrophobicContact CD1-CD2 3.99Å; Y610-Y675 AromaticContact CD1-CE1 3.53Å; Y610-Y675 HydrophobicContact CD1-CE1 3.53Å; Y610-Y675 AromaticContact CD1-CE2 3.95Å; Y610-Y675 HydrophobicContact CD1-CE2 3.95Å; Y610-Y675 AromaticContact CD1-CG 3.82Å; Y610-Y675 HydrophobicContact CD1-CG 3.82Å; Y610-Y675 AromaticContact CD1-CZ 3.71Å; Y610-Y675 HydrophobicContact CE1-CD1 4.17Å; Y610-Y675 AromaticContact CE1-CD2 3.95Å; Y610-Y675 HydrophobicContact CE1-CD2 3.95Å; Y610-Y675 HydrophobicContact CE1-CE1 4.41Å; Y610-Y675 HydrophobicContact CE1-CE2 4.2Å; Y610-Y675 AromaticContact CE1-CG 3.93Å; Y610-Y675 HydrophobicContact CE1-CG 3.93Å; Y610-Y675 HydrophobicContact CG-CE1 4.26Å; V613-Y675 HydrophobicContact CB-CD1 3.91Å; V613-Y675 HydrophobicContact CB-CE1 4.1Å; V613-Y675 HydrophobicContact CG1-CD1 3.72Å; V613-Y675 HydrophobicContact CG1-CE1 4.03Å; V613-Y675 HydrophobicContact CG2-CD1 4.3Å; N614-Y675 PolarHBondContact ND2-OH 3.49Å; N614-Y675 VanDerWaalsContact OD1-CE1 3.32Å; N614-Y675 WeakPolarHBondContact OD1-CE1 3.5Å; N614-Y675 PolarHBondContact OD1-OH 3.35Å; N614-Y675 VanDerWaalsContact OD1-OH 3.08Å; A672-Y675 WeakPolarHBondContact O-CB 3.38Å; A672-Y675 WeakPolarHBondContact O-CD2 3.47Å; A672-Y675 PolarHBondContact O-N 2.7Å; A672-Y675 VanDerWaalsContact O-N 3.11Å; D673-Y675 PolarHBondContact O-N 2.92Å
676A95.9Very high92Very high0 Ų024 Ų240%014%0.14CC..  trans-151.258.3177.900000113.3G559 L561 F671 D673 L678G559-A676 CarbonylContact O-C 3.55Å; G559-A676 WeakPolarHBondContact O-CA 3.23Å; L561-A676 HydrophobicContact CD1-CB 3.83Å; L561-A676 HydrophobicContact CG-CB 4.18Å; F671-A676 HydrophobicContact CB-CB 3.66Å; D673-A676 PolarHBondContact O-N 3.43Å; A676-L678 VanDerWaalsContact C-N 3.26Å; A676-L678 PolarHBondContact O-N 2.96Å
677R96.9Very high92.2Very high8 Ų824.6 Ų24.63%0.0314%0.143CC..SBendtrans-69.9-23.2176.9-67-55.9-173.7-151.2-2.1113.7V556 G559 D783 W784 G785 S786 E837V556-R677 HydrophobicContact CG1-CB 3.57Å; G559-R677 PolarHBondContact O-N 3.38Å; R677-D783 IonicContact NH1-OD1 2.76Å; R677-D783 PolarHBondContact NH1-OD1 3.14Å; R677-W784 HydrophobicContact CG-CH2 4.18Å; R677-W784 HydrophobicContact CG-CZ2 4.39Å; R677-W784 VanDerWaalsContact NE-CE2 3.35Å; R677-W784 VanDerWaalsContact NE-CZ2 3.33Å; R677-W784 PolarHBondContact NH1-O 3.03Å; R677-G785 WeakPolarHBondContact O-CA 3.38Å; R677-S786 PolarHBondContact O-N 3.46Å; R677-S786 PolarHBondContact O-OG 2.72Å; R677-E837 IonicContact CZ-OE1 3.6Å; R677-E837 IonicContact NE-OE1 3.58Å; R677-E837 IonicContact NH2-OE1 2.64Å; R677-E837 PolarHBondContact NH2-OE1 3.45Å
678L98.3Very high92.6Very high0 Ų023.6 Ų23.60%015%0.149CC..EExtended strand (participates in β ladder)trans-136.5131.4172.4171.464.2000111.1A552 V556 V560 L561 A676 I680 S786 I788A552-L678 HydrophobicContact CB-CD2 3.71Å; V556-L678 HydrophobicContact CB-CB 4.23Å; V556-L678 HydrophobicContact CB-CD2 4.46Å; V556-L678 HydrophobicContact CG1-CB 3.81Å; V556-L678 HydrophobicContact CG2-CB 3.99Å; V556-L678 HydrophobicContact CG2-CD2 3.72Å; V556-L678 HydrophobicContact CG2-CG 4.41Å; V560-L678 CarbonylContact C-O 3.59Å; V560-L678 WeakPolarHBondContact CA-O 3.42Å; V560-L678 HydrophobicContact CG1-CB 4.17Å; V560-L678 HydrophobicContact CG1-CD2 3.94Å; V560-L678 HydrophobicContact CG1-CG 4.02Å; V560-L678 HydrophobicContact CG2-CB 4.22Å; V560-L678 HydrophobicContact CG2-CD2 4.49Å; L561-L678 PolarHBondContact N-O 2.91Å; A676-L678 VanDerWaalsContact C-N 3.26Å; A676-L678 PolarHBondContact O-N 2.96Å; L678-I680 HydrophobicContact CD1-CG1 4.06Å; L678-I680 HydrophobicContact CD2-CD1 3.79Å; L678-I680 HydrophobicContact CD2-CG1 3.69Å; L678-I680 HydrophobicContact CG-CD1 4.37Å; L678-I680 HydrophobicContact CG-CG1 3.72Å; L678-S786 CarbonylContact C-O 3.59Å; L678-S786 WeakPolarHBondContact CA-O 3.22Å; L678-S786 WeakPolarHBondContact CD1-OG 3.35Å; L678-I788 HydrophobicContact CD1-CB 4.38Å; L678-I788 HydrophobicContact CD1-CD1 3.72Å; L678-I788 HydrophobicContact CD1-CG1 3.73Å; L678-I788 HydrophobicContact CD2-CD1 4.18Å
679V98.1Very high93.5Very high0 Ų025.6 Ų25.60%014%0.138CC..EExtended strand (participates in β ladder)trans-109.7120.5163.6177.90000109.2L561 F563 L774 C777 S786 I787 I788L561-V679 HydrophobicContact CB-CG2 4.3Å; L561-V679 HydrophobicContact CD1-CG2 4.38Å; L561-V679 CarbonylContact O-C 3.57Å; L561-V679 VanDerWaalsContact O-CA 3.3Å; L561-V679 WeakPolarHBondContact O-CA 3.43Å; F563-V679 HydrophobicContact CD2-CG1 3.74Å; F563-V679 HydrophobicContact CE2-CG1 3.87Å; V679-L774 HydrophobicContact CG1-CD2 4.24Å; V679-C777 HydrophobicContact CB-CB 4.39Å; V679-C777 HydrophobicContact CG2-CB 3.6Å; V679-S786 PolarHBondContact N-O 2.87Å; V679-I787 HydrophobicContact CB-CG1 4.39Å; V679-I787 CarbonylContact O-C 3.56Å; V679-I787 VanDerWaalsContact O-CA 3.3Å; V679-I787 WeakPolarHBondContact O-CA 3.44Å; V679-I788 PolarHBondContact O-N 2.96Å
680I98.7Very high93.6Very high1 Ų127.6 Ų27.61%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-104.8125.1171.8-49.4179.2000107.7V549 A552 V560 L561 C562 F563 L678 I682 I788V549-I680 HydrophobicContact CG2-CD1 4.23Å; A552-I680 HydrophobicContact CB-CD1 4.16Å; V560-I680 HydrophobicContact CG1-CD1 4.18Å; V560-I680 HydrophobicContact CG1-CG1 4.33Å; L561-I680 PolarHBondContact O-N 3.24Å; C562-I680 CarbonylContact C-O 3.47Å; C562-I680 WeakPolarHBondContact CA-O 3.18Å; C562-I680 HydrophobicContact CB-CB 4.42Å; F563-I680 PolarHBondContact N-O 2.95Å; L678-I680 HydrophobicContact CD1-CG1 4.06Å; L678-I680 HydrophobicContact CD2-CD1 3.79Å; L678-I680 HydrophobicContact CD2-CG1 3.69Å; L678-I680 HydrophobicContact CG-CD1 4.37Å; L678-I680 HydrophobicContact CG-CG1 3.72Å; I680-I682 HydrophobicContact CG2-CG1 4.21Å; I680-I788 WeakPolarHBondContact CA-O 3.5Å; I680-I788 HydrophobicContact CG2-CB 4.45Å
681A98.4Very high93.8Very high1 Ų126.1 Ų26.11%0.00814%0.143CC..EExtended strand (participates in β ladder)trans-110.6116.716900000109.4L770 L774 I788 L789 A790A681-L770 HydrophobicContact CB-CD1 3.58Å; A681-L774 HydrophobicContact CB-CD2 3.92Å; A681-I788 PolarHBondContact N-O 3.29Å; A681-L789 HydrophobicContact CB-CD2 3.89Å; A681-A790 PolarHBondContact O-N 3.29Å
682I98.1Very high93.7Very high3 Ų327.3 Ų27.32%0.01515%0.151CC..EExtended strand (participates in β ladder)trans-92.8108.8178.4-62.1161.5000108A531 F541 I545 C562 F563 L564 P565 I680A531-I682 HydrophobicContact CB-CG2 4.29Å; F541-I682 HydrophobicContact CZ-CG2 4.12Å; I545-I682 HydrophobicContact CD1-CG1 4.46Å; I545-I682 HydrophobicContact CD1-CG2 3.96Å; I545-I682 HydrophobicContact CG1-CG2 4.36Å; I545-I682 HydrophobicContact CG2-CD1 3.44Å; I545-I682 VanDerWaalsContact CG2-CD1 3.44Å; I545-I682 HydrophobicContact CG2-CG1 4.04Å; I545-I682 HydrophobicContact CG2-CG2 4.39Å; C562-I682 WeakPolarHBondContact SG-CD1 3.31Å; F563-I682 PolarHBondContact O-N 2.99Å; L564-I682 HydrophobicContact CD2-CD1 4.21Å; L564-I682 HydrophobicContact CG-CD1 4.07Å; P565-I682 WeakPolarHBondContact CD-O 3.4Å; P565-I682 WeakPolarHBondContact CG-O 3.29Å; I680-I682 HydrophobicContact CG2-CG1 4.21Å
683G96.6Very high93.8Very high2 Ų231.1 Ų31.12%0.02117%0.166CC..SBendtrans71-169.2179.800000116.1A790 D791G683-A790 PolarHBondContact N-O 3.37Å; G683-D791 WeakPolarHBondContact CA-OD2 3.27Å
684I96.3Very high93.9Very high4 Ų428.8 Ų28.82%0.02115%0.154CC..  trans-112.1122.5-177.7-56.7175.2000108.2Y686 A766 F794 Y801I684-Y686 HydrophobicContact CB-CD2 3.94Å; I684-Y686 HydrophobicContact CB-CE2 3.67Å; I684-Y686 HydrophobicContact CD1-CE2 4.32Å; I684-Y686 HydrophobicContact CG2-CD2 3.77Å; I684-Y686 HydrophobicContact CG2-CE2 3.44Å; I684-Y686 VanDerWaalsContact CG2-CE2 3.44Å; I684-Y686 HydrophobicContact CG2-CG 4.43Å; I684-Y686 WeakPolarHBondContact O-CD2 3.42Å; I684-Y686 PolarHBondContact O-N 2.94Å; I684-A766 HydrophobicContact CG2-CB 3.77Å; I684-F794 HydrophobicContact CD1-CE1 4.33Å; I684-F794 HydrophobicContact CD1-CZ 4Å; I684-F794 HydrophobicContact CG1-CE1 4.44Å; I684-F794 HydrophobicContact CG1-CE2 4.06Å; I684-F794 HydrophobicContact CG1-CZ 3.66Å; I684-Y801 HydrophobicContact CD1-CD1 3.41Å; I684-Y801 VanDerWaalsContact CD1-CD1 3.41Å; I684-Y801 HydrophobicContact CD1-CE1 3.88Å; I684-Y801 HydrophobicContact CD1-CG 4.33Å
685P95.7Very high93.8Very high4 Ų429.6 Ų29.63%0.02616%0.155CC..  trans-81.365-17135.7-38.8000112.5P565 C661 A766 A769 L770P565-P685 HydrophobicContact CB-CB 4.45Å; C661-P685 HydrophobicContact CB-CB 3.32Å; C661-P685 HydrophobicContact CB-CG 3.67Å; P685-A766 WeakPolarHBondContact CG-O 3.33Å; P685-A769 HydrophobicContact CG-CB 3.96Å; P685-L770 HydrophobicContact CG-CB 4.01Å
686Y95.1Very high93.8Very high51 Ų5127.9 Ų27.920%0.215%0.149CC..PPolyproline II helixtrans-61.3135.8175-77.1-72.7000111.7I684 Y762 D763 A766I684-Y686 HydrophobicContact CB-CD2 3.94Å; I684-Y686 HydrophobicContact CB-CE2 3.67Å; I684-Y686 HydrophobicContact CD1-CE2 4.32Å; I684-Y686 HydrophobicContact CG2-CD2 3.77Å; I684-Y686 HydrophobicContact CG2-CE2 3.44Å; I684-Y686 VanDerWaalsContact CG2-CE2 3.44Å; I684-Y686 HydrophobicContact CG2-CG 4.43Å; I684-Y686 WeakPolarHBondContact O-CD2 3.42Å; I684-Y686 PolarHBondContact O-N 2.94Å; Y686-Y762 WeakPolarHBondContact CB-OH 3.5Å; Y686-Y762 AromaticContact CD1-CD1 3.39Å; Y686-Y762 HydrophobicContact CD1-CD1 3.39Å; Y686-Y762 AromaticContact CD1-CE1 3.18Å; Y686-Y762 HydrophobicContact CD1-CE1 3.18Å; Y686-Y762 HydrophobicContact CD1-CE2 4.4Å; Y686-Y762 HydrophobicContact CD1-CG 4.12Å; Y686-Y762 AromaticContact CD1-CZ 3.76Å; Y686-Y762 AromaticContact CE1-CD1 3.71Å; Y686-Y762 HydrophobicContact CE1-CD1 3.71Å; Y686-Y762 AromaticContact CE1-CE1 3.85Å; Y686-Y762 HydrophobicContact CE1-CE1 3.85Å; Y686-Y762 HydrophobicContact CG-CD1 4.38Å; Y686-Y762 AromaticContact CG-CE1 3.74Å; Y686-Y762 HydrophobicContact CG-CE1 3.74Å; Y686-D763 WeakPolarHBondContact CE1-OD1 3.48Å; Y686-D763 VanDerWaalsContact CZ-OD1 3.28Å; Y686-D763 PolarHBondContact OH-OD1 3.25Å; Y686-A766 HydrophobicContact CD1-CB 3.57Å; Y686-A766 HydrophobicContact CE1-CB 3.87Å; Y686-A766 HydrophobicContact CG-CB 3.97Å
687P92.6Very high93.8Very high11 Ų1128.1 Ų28.17%0.07115%0.15CC..PPolyproline II helixtrans-52.6146.7171.3-15.819.8000111.3F689 V694 Y762 Q765P687-F689 PolarHBondContact O-N 3.49Å; P687-V694 HydrophobicContact CB-CG1 4.14Å; P687-V694 HydrophobicContact CB-CG2 3.71Å; P687-Y762 HydrophobicContact CB-CD2 4.36Å; P687-Y762 HydrophobicContact CB-CE2 3.87Å; P687-Y762 VanDerWaalsContact CD-CE2 3.49Å; P687-Y762 HydrophobicContact CG-CD2 3.87Å; P687-Y762 HydrophobicContact CG-CE2 3.77Å; P687-Y762 WeakPolarHBondContact O-CE2 3.29Å; P687-Y762 VanDerWaalsContact O-CZ 3.29Å; P687-Y762 PolarHBondContact O-OH 3.28Å; P687-Q765 HydrophobicContact CG-CB 3.86Å
688A89.3Confident93.8Very high60 Ų6029.6 Ų29.650%0.49616%0.156SC..PPolyproline II helixtrans-57.9116.8178.700000110.7T690 N691A688-T690 PolarHBondContact O-N 3.29Å; A688-N691 HydrophobicContact CB-CB 4.32Å; A688-N691 VanDerWaalsContact O-CB 3.26Å; A688-N691 WeakPolarHBondContact O-CB 3.36Å; A688-N691 PolarHBondContact O-N 3.11Å
689F87.3Confident93.6Very high112 Ų11234.3 Ų34.349%0.49118%0.178SC..THydrogen-bonded Turntrans-62.4-25.2-179.4-167.9-82.9000112.4P687 N691 Q695 R698P687-F689 PolarHBondContact O-N 3.49Å; F689-N691 VanDerWaalsContact C-N 3.3Å; F689-Q695 WeakPolarHBondContact O-CG 3.38Å; F689-Q695 PolarHBondContact O-NE2 3.21Å; F689-R698 VanDerWaalsContact CZ-NH1 3.26Å
690T83.6Confident93.5Very high70 Ų7034.6 Ų34.643%0.42918%0.179SC..THydrogen-bonded Turntrans-79.7-8176.550.70000113.4T312 A688 P692T312-T690 HydrophobicContact CG2-CG2 4.5Å; T312-T690 WeakPolarHBondContact CG2-O 3.5Å; A688-T690 PolarHBondContact O-N 3.29Å; T690-P692 WeakPolarHBondContact O-CD 3.1Å
691N86.9Confident93.3Very high64 Ų6434.7 Ų34.734%0.34218%0.18SC..  trans-70.4121.2174.6-179.5-25.7000109.3A688 F689 Q693 V694 Q695A688-N691 HydrophobicContact CB-CB 4.32Å; A688-N691 VanDerWaalsContact O-CB 3.26Å; A688-N691 WeakPolarHBondContact O-CB 3.36Å; A688-N691 PolarHBondContact O-N 3.11Å; F689-N691 VanDerWaalsContact C-N 3.3Å; N691-Q693 VanDerWaalsContact C-N 3.26Å; N691-Q693 PolarHBondContact O-N 3.38Å; N691-Q693 WeakPolarHBondContact OD1-CB 3.37Å; N691-Q693 PolarHBondContact OD1-N 3.29Å; N691-V694 HydrophobicContact CB-CB 4.14Å; N691-V694 HydrophobicContact CB-CG2 3.83Å; N691-V694 WeakPolarHBondContact O-CB 3.15Å; N691-V694 PolarHBondContact O-N 2.92Å; N691-Q695 PolarHBondContact O-N 2.9Å
692P88.7Confident93.2Very high26 Ų2637.1 Ų37.117%0.16919%0.192CC..Hα-helixtrans-55.5-36.7-179.3-27.335.8000113.9T315 W461 T690 V694 Q695 Q696T315-P692 HydrophobicContact CG2-CG 4.12Å; W461-P692 HydrophobicContact CH2-CB 4.08Å; W461-P692 HydrophobicContact CZ3-CB 4.28Å; T690-P692 WeakPolarHBondContact O-CD 3.1Å; P692-V694 VanDerWaalsContact C-N 3.34Å; P692-V694 PolarHBondContact O-N 3.41Å; P692-Q695 PolarHBondContact O-N 3.17Å; P692-Q696 WeakPolarHBondContact O-CB 3.5Å; P692-Q696 VanDerWaalsContact O-CG 3.26Å; P692-Q696 WeakPolarHBondContact O-CG 3.39Å; P692-Q696 PolarHBondContact O-N 3.1Å
693Q91.7Very high93Very high97 Ų9739.7 Ų39.745%0.45321%0.214SC..Hα-helixtrans-65-39.1177.2-71.4-178.5-2800111.9W461 N691 K697W461-Q693 HydrophobicContact CD2-CG 3.87Å; W461-Q693 HydrophobicContact CE3-CG 3.71Å; W461-Q693 HydrophobicContact CH2-CG 3.52Å; W461-Q693 HydrophobicContact CZ2-CG 3.66Å; W461-Q693 HydrophobicContact CZ3-CB 4.31Å; W461-Q693 HydrophobicContact CZ3-CG 3.52Å; N691-Q693 VanDerWaalsContact C-N 3.26Å; N691-Q693 PolarHBondContact O-N 3.38Å; N691-Q693 WeakPolarHBondContact OD1-CB 3.37Å; N691-Q693 PolarHBondContact OD1-N 3.29Å; Q693-K697 VanDerWaalsContact O-CB 3.22Å; Q693-K697 WeakPolarHBondContact O-CB 3.18Å; Q693-K697 PolarHBondContact O-N 3.16Å
694V93.8Very high92.7Very high12 Ų1242.2 Ų42.27%0.07323%0.227CC..Hα-helixtrans-66.4-44.1177.2174.30000110.3P687 N691 P692 R698 W761 Y762P687-V694 HydrophobicContact CB-CG1 4.14Å; P687-V694 HydrophobicContact CB-CG2 3.71Å; N691-V694 HydrophobicContact CB-CB 4.14Å; N691-V694 HydrophobicContact CB-CG2 3.83Å; N691-V694 WeakPolarHBondContact O-CB 3.15Å; N691-V694 PolarHBondContact O-N 2.92Å; P692-V694 VanDerWaalsContact C-N 3.34Å; P692-V694 PolarHBondContact O-N 3.41Å; V694-R698 WeakPolarHBondContact O-CB 3.28Å; V694-R698 VanDerWaalsContact O-CG 3.23Å; V694-R698 WeakPolarHBondContact O-CG 3.41Å; V694-R698 PolarHBondContact O-N 3.47Å; V694-W761 HydrophobicContact CG1-CZ3 4.21Å; V694-Y762 HydrophobicContact CG1-CD2 4.06Å; V694-Y762 HydrophobicContact CG1-CE2 3.86Å
695Q93.3Very high92.4Very high42 Ų4247 Ų4720%0.19625%0.245CC..Hα-helixtrans-60.3-52176.5-66.4178.9-10.800111.1F689 N691 P692 K697 R698 E699F689-Q695 WeakPolarHBondContact O-CG 3.38Å; F689-Q695 PolarHBondContact O-NE2 3.21Å; N691-Q695 PolarHBondContact O-N 2.9Å; P692-Q695 PolarHBondContact O-N 3.17Å; Q695-K697 PolarHBondContact O-N 3.44Å; Q695-R698 PolarHBondContact O-N 2.97Å; Q695-E699 WeakPolarHBondContact O-CG 3.33Å; Q695-E699 PolarHBondContact O-N 3.23Å
696Q94.6Very high92.2Very high17 Ų1754.5 Ų54.58%0.07928%0.278CS..Hα-helixtrans-63.1-39.7-178.4-71.2-52.6-59.600112.8V317 R408 W461 L463 P692 E699 F700V317-Q696 HydrophobicContact CG1-CG 4.36Å; V317-Q696 HydrophobicContact CG2-CG 4.46Å; R408-Q696 VanDerWaalsContact CD-OE1 3.3Å; R408-Q696 HydrophobicContact CG-CB 4.23Å; R408-Q696 HydrophobicContact CG-CG 4.42Å; W461-Q696 HydrophobicContact CZ3-CG 4.46Å; L463-Q696 HydrophobicContact CD1-CB 4.34Å; P692-Q696 WeakPolarHBondContact O-CB 3.5Å; P692-Q696 VanDerWaalsContact O-CG 3.26Å; P692-Q696 WeakPolarHBondContact O-CG 3.39Å; P692-Q696 PolarHBondContact O-N 3.1Å; Q696-E699 PolarHBondContact NE2-OE2 3.33Å; Q696-F700 VanDerWaalsContact O-CB 3.26Å; Q696-F700 WeakPolarHBondContact O-CB 3.15Å; Q696-F700 PolarHBondContact O-N 3.38Å
697K95.8Very high91.7Very high5 Ų556.4 Ų56.42%0.02230%0.298CS..Hα-helixtrans-65.8-39.7175.3178.552.9-179.4166.20112.2L463 E495 Q693 Q695 F700 N701 W761L463-K697 HydrophobicContact CB-CD 4.23Å; L463-K697 HydrophobicContact CD2-CB 4.43Å; L463-K697 WeakPolarHBondContact O-CD 3.46Å; L463-K697 WeakPolarHBondContact O-CE 3.44Å; L463-K697 PolarHBondContact O-NZ 2.99Å; E495-K697 VanDerWaalsContact CD-NZ 3.32Å; E495-K697 IonicContact OE1-NZ 2.97Å; E495-K697 PolarHBondContact OE1-NZ 2.79Å; E495-K697 VanDerWaalsContact OE1-NZ 3.08Å; E495-K697 VanDerWaalsContact OE2-CE 3.24Å; E495-K697 WeakPolarHBondContact OE2-CE 3.42Å; E495-K697 IonicContact OE2-NZ 3.45Å; E495-K697 PolarHBondContact OE2-NZ 2.83Å; Q693-K697 VanDerWaalsContact O-CB 3.22Å; Q693-K697 WeakPolarHBondContact O-CB 3.18Å; Q693-K697 PolarHBondContact O-N 3.16Å; Q695-K697 PolarHBondContact O-N 3.44Å; K697-F700 HydrophobicContact CD-CD1 4.14Å; K697-F700 PolarHBondContact O-N 3.14Å; K697-N701 WeakPolarHBondContact CE-OD1 3.35Å; K697-N701 PolarHBondContact NZ-OD1 3.17Å; K697-N701 PolarHBondContact O-N 2.92Å; K697-W761 HydrophobicContact CB-CH2 3.97Å; K697-W761 HydrophobicContact CB-CZ2 4.23Å; K697-W761 HydrophobicContact CB-CZ3 4.23Å; K697-W761 HydrophobicContact CG-CD2 3.86Å; K697-W761 VanDerWaalsContact CG-CE2 3.5Å; K697-W761 HydrophobicContact CG-CE3 4.03Å; K697-W761 HydrophobicContact CG-CH2 3.6Å; K697-W761 HydrophobicContact CG-CZ2 3.4Å; K697-W761 HydrophobicContact CG-CZ3 3.91Å
698R96.1Very high91.2Very high39 Ų3959.1 Ų59.115%0.14732%0.317CS..Hα-helixtrans-65.7-47176.6-71.7178.568.4-113.70.1111.7F689 V694 Q695 F700 N701 D702 W761F689-R698 VanDerWaalsContact CZ-NH1 3.26Å; V694-R698 WeakPolarHBondContact O-CB 3.28Å; V694-R698 VanDerWaalsContact O-CG 3.23Å; V694-R698 WeakPolarHBondContact O-CG 3.41Å; V694-R698 PolarHBondContact O-N 3.47Å; Q695-R698 PolarHBondContact O-N 2.97Å; R698-F700 VanDerWaalsContact C-N 3.29Å; R698-F700 PolarHBondContact O-N 2.93Å; R698-N701 PolarHBondContact O-N 3.49Å; R698-D702 WeakPolarHBondContact O-CB 3.48Å; R698-D702 PolarHBondContact O-N 3.5Å; R698-W761 HydrophobicContact CG-CE3 3.78Å; R698-W761 HydrophobicContact CG-CZ3 3.79Å
699E95.2Very high90.1Very high100 Ų10058.9 Ų58.947%0.46731%0.312SS..Hα-helixtrans-58.8-41.2175.4-73.1169.9-166.500112Q695 Q696 D702 A703Q695-E699 WeakPolarHBondContact O-CG 3.33Å; Q695-E699 PolarHBondContact O-N 3.23Å; Q696-E699 PolarHBondContact NE2-OE2 3.33Å; E699-D702 PolarHBondContact O-N 3.08Å; E699-A703 WeakPolarHBondContact O-CB 3.39Å; E699-A703 PolarHBondContact O-N 2.88Å
700F95.6Very high88.3Confident6 Ų659.5 Ų59.53%0.02633%0.327CS..Hα-helixtrans-59.9-50.2174.4169.5-100.7000112.2S405 D406 L463 N464 Q696 K697 R698 D702 A703 L704S405-F700 WeakPolarHBondContact O-CE2 3.35Å; D406-F700 HydrophobicContact CB-CE2 4.48Å; D406-F700 WeakPolarHBondContact OD1-CZ 3.26Å; L463-F700 HydrophobicContact CB-CB 4.36Å; L463-F700 HydrophobicContact CB-CD1 3.86Å; L463-F700 HydrophobicContact CB-CD2 4.37Å; L463-F700 HydrophobicContact CB-CE1 4.25Å; L463-F700 HydrophobicContact CB-CG 3.93Å; L463-F700 HydrophobicContact CD1-CB 3.55Å; L463-F700 HydrophobicContact CD1-CD2 4.33Å; L463-F700 HydrophobicContact CD1-CG 3.91Å; N464-F700 HydrophobicContact CB-CE1 4.01Å; N464-F700 HydrophobicContact CB-CZ 3.7Å; Q696-F700 VanDerWaalsContact O-CB 3.26Å; Q696-F700 WeakPolarHBondContact O-CB 3.15Å; Q696-F700 PolarHBondContact O-N 3.38Å; K697-F700 HydrophobicContact CD-CD1 4.14Å; K697-F700 PolarHBondContact O-N 3.14Å; R698-F700 VanDerWaalsContact C-N 3.29Å; R698-F700 PolarHBondContact O-N 2.93Å; F700-D702 PolarHBondContact O-N 3.15Å; F700-A703 WeakPolarHBondContact O-CB 3.15Å; F700-A703 PolarHBondContact O-N 2.86Å; F700-L704 HydrophobicContact CD1-CD1 4.23Å; F700-L704 HydrophobicContact CE1-CD1 3.47Å; F700-L704 VanDerWaalsContact CE1-CD1 3.47Å; F700-L704 HydrophobicContact CE1-CG 4.31Å; F700-L704 HydrophobicContact CE2-CD1 4.06Å; F700-L704 HydrophobicContact CE2-CD2 4.47Å; F700-L704 HydrophobicContact CE2-CG 4.19Å; F700-L704 HydrophobicContact CZ-CD1 3.36Å; F700-L704 HydrophobicContact CZ-CD2 4.45Å; F700-L704 HydrophobicContact CZ-CG 4Å; F700-L704 PolarHBondContact O-N 3.31Å
701N95.6Very high86.2Confident3 Ų365.5 Ų65.52%0.01635%0.347CS..Hα-helixtrans-64.2-40.5178.2-83.823.4000112.2E495 K697 R698 A703 L704 Y705 L756 W761E495-N701 PolarHBondContact OE1-ND2 3.44Å; K697-N701 WeakPolarHBondContact CE-OD1 3.35Å; K697-N701 PolarHBondContact NZ-OD1 3.17Å; K697-N701 PolarHBondContact O-N 2.92Å; R698-N701 PolarHBondContact O-N 3.49Å; N701-A703 VanDerWaalsContact C-N 3.29Å; N701-A703 PolarHBondContact O-N 2.83Å; N701-L704 PolarHBondContact O-N 3.01Å; N701-Y705 VanDerWaalsContact O-CB 3.31Å; N701-Y705 WeakPolarHBondContact O-CB 3.37Å; N701-Y705 PolarHBondContact O-N 3.33Å; N701-L756 WeakPolarHBondContact CB-O 3.42Å; N701-W761 VanDerWaalsContact ND2-CB 3.29Å; N701-W761 WeakPolarHBondContact ND2-CB 3.32Å
702D96.1Very high83.7Confident51 Ų5171 Ų7127%0.27337%0.373SS..Hα-helixtrans-62.6-35.7175.4-73.1-23.9000112.2R698 E699 F700 K706 G758R698-D702 WeakPolarHBondContact O-CB 3.48Å; R698-D702 PolarHBondContact O-N 3.5Å; E699-D702 PolarHBondContact O-N 3.08Å; F700-D702 PolarHBondContact O-N 3.15Å; D702-K706 WeakPolarHBondContact O-CB 3.39Å; D702-K706 VanDerWaalsContact O-CG 3.25Å; D702-K706 WeakPolarHBondContact O-CG 3.47Å; D702-K706 PolarHBondContact O-N 3.49Å; D702-K706 VanDerWaalsContact O-N 3.1Å; D702-G758 WeakPolarHBondContact OD1-CA 3.1Å; D702-G758 PolarHBondContact OD1-N 3.43Å
703A93.2Very high81Confident58 Ų5874.3 Ų74.348%0.47940%0.403SS..Hα-helixtrans-67.2-44.7174.700000112.1E699 F700 N701 Y705 K706 S707E699-A703 WeakPolarHBondContact O-CB 3.39Å; E699-A703 PolarHBondContact O-N 2.88Å; F700-A703 WeakPolarHBondContact O-CB 3.15Å; F700-A703 PolarHBondContact O-N 2.86Å; N701-A703 VanDerWaalsContact C-N 3.29Å; N701-A703 PolarHBondContact O-N 2.83Å; A703-Y705 VanDerWaalsContact C-N 3.34Å; A703-K706 PolarHBondContact O-N 3.46Å; A703-S707 PolarHBondContact O-N 3.47Å; A703-S707 VanDerWaalsContact O-N 3.12Å; A703-S707 PolarHBondContact O-OG 2.9Å
704L90.5Very high78Confident54 Ų5475.1 Ų75.128%0.28342%0.418SS..Hα-helixtrans-63.1-40174.7-70.7-177.4000112.4F700 N701 S707 S708 V755F700-L704 HydrophobicContact CD1-CD1 4.23Å; F700-L704 HydrophobicContact CE1-CD1 3.47Å; F700-L704 VanDerWaalsContact CE1-CD1 3.47Å; F700-L704 HydrophobicContact CE1-CG 4.31Å; F700-L704 HydrophobicContact CE2-CD1 4.06Å; F700-L704 HydrophobicContact CE2-CD2 4.47Å; F700-L704 HydrophobicContact CE2-CG 4.19Å; F700-L704 HydrophobicContact CZ-CD1 3.36Å; F700-L704 HydrophobicContact CZ-CD2 4.45Å; F700-L704 HydrophobicContact CZ-CG 4Å; F700-L704 PolarHBondContact O-N 3.31Å; N701-L704 PolarHBondContact O-N 3.01Å; L704-S707 PolarHBondContact O-N 2.91Å; L704-S707 PolarHBondContact O-OG 3.48Å; L704-S708 WeakPolarHBondContact O-CB 3.29Å; L704-S708 PolarHBondContact O-N 2.71Å; L704-S708 PolarHBondContact O-OG 2.87Å; L704-V755 HydrophobicContact CB-CG1 3.71Å
705Y90.8Very high75Confident105 Ų10579.4 Ų79.441%0.41246%0.455SS..Hα-helixtrans-63.7-42.7179.3-168.7-92.6000111.5N701 A703 S708 S709 V755N701-Y705 VanDerWaalsContact O-CB 3.31Å; N701-Y705 WeakPolarHBondContact O-CB 3.37Å; N701-Y705 PolarHBondContact O-N 3.33Å; A703-Y705 VanDerWaalsContact C-N 3.34Å; Y705-S708 PolarHBondContact O-N 3.44Å; Y705-S709 PolarHBondContact O-N 3.02Å; Y705-S709 VanDerWaalsContact O-N 3.15Å; Y705-S709 PolarHBondContact O-OG 3.35Å; Y705-V755 VanDerWaalsContact CD2-O 3.25Å; Y705-V755 WeakPolarHBondContact CD2-O 3.43Å; Y705-V755 WeakPolarHBondContact CE2-O 3.36Å
706K90.8Very high72Confident162 Ų16284.8 Ų84.870%0.70449%0.485SS*.Hα-helixtrans-65.4-36.1175.8-74.1170.6-175.2173.90113.1D702 A703D702-K706 WeakPolarHBondContact O-CB 3.39Å; D702-K706 VanDerWaalsContact O-CG 3.25Å; D702-K706 WeakPolarHBondContact O-CG 3.47Å; D702-K706 PolarHBondContact O-N 3.49Å; D702-K706 VanDerWaalsContact O-N 3.1Å; A703-K706 PolarHBondContact O-N 3.46Å
707S85Confident68.8Low90 Ų9093.2 Ų93.263%0.62952%0.521SS*.Hα-helixtrans-76.3-26.9178.963.80000113.2A703 L704A703-S707 PolarHBondContact O-N 3.47Å; A703-S707 VanDerWaalsContact O-N 3.12Å; A703-S707 PolarHBondContact O-OG 2.9Å; L704-S707 PolarHBondContact O-N 2.91Å; L704-S707 PolarHBondContact O-OG 3.48Å
708S80.9Confident65.7Low68 Ų68102 Ų10248%0.47656%0.562SS.*Hα-helixtrans-88-19.5-178.4-54.20000113.6L704 Y705 P710 V755L704-S708 WeakPolarHBondContact O-CB 3.29Å; L704-S708 PolarHBondContact O-N 2.71Å; L704-S708 PolarHBondContact O-OG 2.87Å; Y705-S708 PolarHBondContact O-N 3.44Å; S708-P710 WeakPolarHBondContact O-CD 3.47Å; S708-V755 WeakPolarHBondContact OG-CG2 3.32Å
709S67.2Low62.3Low55 Ų55107.8 Ų107.839%0.38559%0.594SS.*SBendtrans-62.3122.9173.6-64.40000109.2Y705 K711Y705-S709 PolarHBondContact O-N 3.02Å; Y705-S709 VanDerWaalsContact O-N 3.15Å; Y705-S709 PolarHBondContact O-OG 3.35Å; S709-K711 PolarHBondContact O-N 3.45Å
710P48.3Very low59.1Low125 Ų125114.7 Ų114.781%0.81262%0.616SS**  trans-55.1113.9174.8-20.229.5000108.3S708 M712S708-P710 WeakPolarHBondContact O-CD 3.47Å; P710-M712 PolarHBondContact O-N 2.65Å
711K40.9Very low55.7Low196 Ų196119.7 Ų119.785%0.85265%0.652SS**  trans-56113.5164.4-75.2-176.4179.3176.30105.2S709 A713S709-K711 PolarHBondContact O-N 3.45Å; K711-A713 PolarHBondContact O-N 3.36Å
712M33.1Very low52.9Low180 Ų180125 Ų12589%0.88769%0.686SS**  trans-5989.4172.9-139.9165.573.400106.7P710 C714P710-M712 PolarHBondContact O-N 2.65Å; M712-C714 PolarHBondContact O-N 3.04Å
713A33.2Very low49.6Very low96 Ų96130.4 Ų130.479%0.79371%0.714SS**  trans-7576.6176.300000107.3K711K711-A713 PolarHBondContact O-N 3.36Å
714C27.7Very low46.4Very low113 Ų113137.2 Ų137.276%0.76474%0.736SS**  trans-159.272162.2-95.40000107.7M712 D716M712-C714 PolarHBondContact O-N 3.04Å; C714-D716 VanDerWaalsContact C-N 3.33Å
715A30.4Very low43.4Very low103 Ų103140.3 Ų140.385%0.85176%0.762SS**  trans-98.368.2153.200000107.2
716D31.2Very low40.5Very low154 Ų154143.2 Ų143.282%0.82478%0.784SS**  trans-129.9132.2158.9-96.9-36.4000109.9C714 H718C714-D716 VanDerWaalsContact C-N 3.33Å; D716-H718 PolarHBondContact O-N 3.18Å
717K28.2Very low37.3Very low194 Ų194143.4 Ų143.484%0.84379%0.793SS**  trans-72.9110.7-160.3-65.2158.2174.4170.80110.2
718H30.1Very low34.5Very low189 Ų189144.7 Ų144.788%0.87580%0.802SS**  trans-143.2130.6146.6-92-69.9000111.7D716D716-H718 PolarHBondContact O-N 3.18Å
719I25.2Very low32.2Very low161 Ų161147.4 Ų147.483%0.82682%0.821SS**  trans-56.5127.5-175.8-65.7154.8000111.5
720R26.6Very low30.2Very low246 Ų246153.6 Ų153.693%0.92885%0.846SS**  trans-163.4147.5136-104.5167.1-164.4-139.24.2111.8
721S23.9Very low29.3Very low111 Ų111156.4 Ų156.478%0.77685%0.848SS**  trans-77.9174.7-16556.10000114.3
722P38.7Very low28.4Very low114 Ų114156.2 Ų156.274%0.7485%0.847SS**  trans-97.8173-146.836.7-34.6000117
723L25.1Very low28.2Very low165 Ų165158.6 Ų158.686%0.86485%0.848SS**  trans70.483.2163.5-79133.8000117.4
724Q26Very low27.8Very low201 Ų201160.6 Ų160.694%0.93985%0.846SS**  trans-177.681.5148.4-105.2168.619.700110.5
725S27.5Very low27.7Very low118 Ų118163.2 Ų163.283%0.82585%0.852SS**  trans-161.954.3164.270.20000112.3
726L29.7Very low27.4Very low166 Ų166164.3 Ų164.387%0.86985%0.848SS**SBendtrans-138.273.9165.6-87.8160000105.9
727N24.5Very low27.2Very low166 Ų166164 Ų16489%0.88885%0.847SS**SBendtrans173.586161-87.1-20.3000109.9
728S25.3Very low27.2Very low117 Ų117161.6 Ų161.682%0.81884%0.843SS**  trans175.670.2146.962.30000111.4
729S32.5Very low27Very low126 Ų126159.2 Ų159.288%0.88184%0.837SS**  trans-152.355.7161.7-50.20000109
730M27.1Very low27.4Very low185 Ų185160.1 Ų160.191%0.91184%0.841SS**  trans-130.975.7174.4-160.8170.2162.800106.4K732M730-K732 PolarHBondContact O-N 3.08Å
731E28.3Very low27.5Very low183 Ų183154.3 Ų154.386%0.85583%0.833SS**  trans-67.8119.3174.4-74-176.2156.900108.9Y733E731-Y733 PolarHBondContact O-N 3.08Å
732K22.7Very low27.6Very low193 Ų193153.8 Ų153.884%0.83983%0.829SS**  trans-66.4111.2172.8-71.3175.2175.4178.80108.9M730 N734M730-K732 PolarHBondContact O-N 3.08Å; K732-N734 PolarHBondContact O-N 2.81Å
733Y28.5Very low27.3Very low230 Ų230153 Ų15390%0.90283%0.827SS**  trans-71.7106.1161.3-105.5-98.4000108E731E731-Y733 PolarHBondContact O-N 3.08Å
734N24.6Very low27.7Very low138 Ų138152.4 Ų152.474%0.73882%0.823SS**  trans-80.4119.6170.3-82.4-14.3000109.3K732 T736K732-N734 PolarHBondContact O-N 2.81Å; N734-T736 PolarHBondContact O-N 3.4Å
735D25.2Very low27.7Very low168 Ų168148 Ų14890%0.89881%0.814SS**  trans-71.5108.4162.8-91.9-38.9000109.6
736T25.4Very low27.9Very low126 Ų126149.3 Ų149.377%0.77381%0.812SS**  trans-149.411015547.10000110.2N734N734-T736 PolarHBondContact O-N 3.4Å
737N26.4Very low28Very low148 Ų148148.9 Ų148.979%0.79182%0.816SS**  trans13.1138.4149.7-65.4-18000121.9
738D27.6Very low28.6Very low143 Ų143144.8 Ų144.877%0.76580%0.801SS**  trans66.795.9141.6-58-26.4000120
739D25.4Very low28.9Very low139 Ų139144 Ų14474%0.74380%0.795SS**  -174.6123.2120.8-97.4-27.3000111.8T741D739-T741 VanDerWaalsContact C-N 3.27Å; D739-T741 PolarHBondContact O-N 3.25Å; D739-T741 VanDerWaalsContact O-N 3.15Å
740I33.7Very low29.3Very low179 Ų179143.2 Ų143.292%0.91879%0.787SS**THydrogen-bonded Turntrans-78.610.2-166.1-75.2172.9000114.6
741T28.7Very low30.4Very low124 Ų124141.4 Ų141.476%0.76177%0.77SS**THydrogen-bonded Turntrans-117.92.1-172.652.90000116.5D739D739-T741 VanDerWaalsContact C-N 3.27Å; D739-T741 PolarHBondContact O-N 3.25Å; D739-T741 VanDerWaalsContact O-N 3.15Å
742S26.7Very low31.4Very low100 Ų100138.6 Ų138.670%0.69977%0.767SS**  trans-107.372179.360.40000113.1
743S33.4Very low33.4Very low99 Ų99139.6 Ų139.669%0.69277%0.766SS**  trans-138.130.4161.2-66.50000112.1
744I32.2Very low35.9Very low152 Ų152133.4 Ų133.478%0.77974%0.744SS**  trans-122.180173.4-54.5176.1000107.7
745S27.2Very low38.9Very low107 Ų107128.7 Ų128.775%0.74872%0.72SS**  trans16510615241.30000108.5
746N30.7Very low42.1Very low146 Ų146120.9 Ų120.978%0.78168%0.678SS**  trans-170.495.8145.2-91.7-20.8000106.5S748N746-S748 PolarHBondContact O-N 3.06Å; N746-S748 PolarHBondContact O-OG 3.29Å
747V31.9Very low45.4Very low158 Ų158115.8 Ų115.896%0.95865%0.647SS**  trans-6188.5163.9177.90000105.9
748S37.5Very low48.7Very low80 Ų80108.7 Ų108.756%0.55961%0.61SS**  trans-82.8119.7-173.1-58.60000108.1N746N746-S748 PolarHBondContact O-N 3.06Å; N746-S748 PolarHBondContact O-OG 3.29Å
749S32.2Very low51.9Low100 Ų100104.7 Ų104.770%0.69959%0.593SS**  trans-42.5141.7163.436.50000111.2R751S749-R751 PolarHBondContact O-N 3.21Å; S749-R751 VanDerWaalsContact O-N 3.1Å
750P39.3Very low55.2Low110 Ų110100.9 Ų100.971%0.71457%0.57SS**PPolyproline II helixtrans-56.5119.2-172.619.2-29.9000110.6
751R50.5Low58.1Low147 Ų14793 Ų9356%0.55553%0.529SS*.PPolyproline II helixtrans-58.7140.1-179.9-68.4-179178.7-172.7-0.5109.8R503 S749 R753R503-R751 VanDerWaalsContact NH1-NH1 3.14Å; S749-R751 PolarHBondContact O-N 3.21Å; S749-R751 VanDerWaalsContact O-N 3.1Å; R751-R753 PolarHBondContact O-N 2.86Å
752P50.1Low61.3Low123 Ų12388.8 Ų88.880%0.79950%0.5SS*.PPolyproline II helixtrans-59.1135.6173.722.9-30.6000110.1K754P752-K754 PolarHBondContact O-N 3.49Å; P752-K754 VanDerWaalsContact O-N 3.08Å
753R64.3Low64.5Low214 Ų21486.1 Ų86.181%0.80848%0.477SS*.  trans-57.5111.5-179.1-71.5-179.3176.4157-1.6109.7R751R751-R753 PolarHBondContact O-N 2.86Å
754K81.7Confident67.4Low100 Ų10081.5 Ų81.544%0.43545%0.445SS..  trans-78.6128.1176.2-172178.3-177.7-177.40109D490 A494 P752 E760D490-K754 HydrophobicContact CB-CD 4.42Å; A494-K754 HydrophobicContact CB-CB 4.5Å; A494-K754 VanDerWaalsContact CB-O 3.22Å; A494-K754 WeakPolarHBondContact CB-O 3.27Å; P752-K754 PolarHBondContact O-N 3.49Å; P752-K754 VanDerWaalsContact O-N 3.08Å; K754-E760 IonicContact NZ-OE1 3.04Å
755V87.9Confident70.3Confident39 Ų3975 Ų7524%0.23641%0.412CS..  trans-106.6133.1168.3177.70000107.4L704 Y705 S708L704-V755 HydrophobicContact CB-CG1 3.71Å; Y705-V755 VanDerWaalsContact CD2-O 3.25Å; Y705-V755 WeakPolarHBondContact CD2-O 3.43Å; Y705-V755 WeakPolarHBondContact CE2-O 3.36Å; S708-V755 WeakPolarHBondContact OG-CG2 3.32Å
756L91.6Very high73.5Confident4 Ų470 Ų702%0.02138%0.376CS..  trans-83.2135.4175.8-60.9179.1000110A494 E495 N701 E760 W761A494-L756 HydrophobicContact CB-CD1 4.37Å; A494-L756 HydrophobicContact CB-CD2 4.28Å; A494-L756 HydrophobicContact CB-CG 3.86Å; E495-L756 HydrophobicContact CG-CD1 3.95Å; N701-L756 WeakPolarHBondContact CB-O 3.42Å; L756-E760 HydrophobicContact CB-CB 4.31Å; L756-E760 HydrophobicContact CD2-CB 4.12Å; L756-W761 HydrophobicContact CD1-CB 4.39Å
757S95.3Very high76.6Confident19 Ų1963.4 Ų63.413%0.13334%0.341CS..  trans-64.8162.2160.262.60000110.9S759 E760 W761S757-S759 PolarHBondContact O-N 2.98Å; S757-E760 WeakPolarHBondContact CB-OE2 3.5Å; S757-E760 PolarHBondContact N-OE2 3.22Å; S757-E760 PolarHBondContact O-N 2.97Å; S757-E760 VanDerWaalsContact OG-CG 3.29Å; S757-E760 WeakPolarHBondContact OG-CG 3.39Å; S757-E760 PolarHBondContact OG-N 3.23Å; S757-E760 PolarHBondContact OG-OE2 3.44Å; S757-W761 PolarHBondContact O-N 3.39Å
758G95.7Very high79.4Confident0 Ų056.3 Ų56.30%030%0.297CS..Hα-helixtrans-60.3-31.1173.800000112.3D702 Y762D702-G758 WeakPolarHBondContact OD1-CA 3.1Å; D702-G758 PolarHBondContact OD1-N 3.43Å; G758-Y762 WeakPolarHBondContact O-CB 3.46Å; G758-Y762 PolarHBondContact O-N 2.79Å
759S95Very high82.1Confident59 Ų5952.7 Ų52.741%0.41327%0.272SS..Hα-helixtrans-71.5-44.5175.6-62.60000112.5S757 W761 Y762 D763S757-S759 PolarHBondContact O-N 2.98Å; S759-W761 PolarHBondContact O-N 3.43Å; S759-Y762 WeakPolarHBondContact O-CB 3.33Å; S759-Y762 PolarHBondContact O-N 3.45Å; S759-D763 PolarHBondContact O-N 3.27Å
760E93.9Very high85.1Confident58 Ų5848 Ų4827%0.27124%0.239SC..Hα-helixtrans-64.2-40.3176.8-72.6166.8113.100112.1K754 L756 S757 Y762 A764K754-E760 IonicContact NZ-OE1 3.04Å; L756-E760 HydrophobicContact CB-CB 4.31Å; L756-E760 HydrophobicContact CD2-CB 4.12Å; S757-E760 WeakPolarHBondContact CB-OE2 3.5Å; S757-E760 PolarHBondContact N-OE2 3.22Å; S757-E760 PolarHBondContact O-N 2.97Å; S757-E760 VanDerWaalsContact OG-CG 3.29Å; S757-E760 WeakPolarHBondContact OG-CG 3.39Å; S757-E760 PolarHBondContact OG-N 3.23Å; S757-E760 PolarHBondContact OG-OE2 3.44Å; E760-Y762 VanDerWaalsContact C-N 3.35Å; E760-A764 WeakPolarHBondContact O-CB 3.16Å; E760-A764 PolarHBondContact O-N 3.35Å
761W94.9Very high87.6Confident15 Ų1542.8 Ų42.86%0.05721%0.205CC..Hα-helixtrans-61.8-44.6173.1172.488000111.3V694 K697 R698 N701 L756 S757 S759 D763 A764 Q765V694-W761 HydrophobicContact CG1-CZ3 4.21Å; K697-W761 HydrophobicContact CB-CH2 3.97Å; K697-W761 HydrophobicContact CB-CZ2 4.23Å; K697-W761 HydrophobicContact CB-CZ3 4.23Å; K697-W761 HydrophobicContact CG-CD2 3.86Å; K697-W761 VanDerWaalsContact CG-CE2 3.5Å; K697-W761 HydrophobicContact CG-CE3 4.03Å; K697-W761 HydrophobicContact CG-CH2 3.6Å; K697-W761 HydrophobicContact CG-CZ2 3.4Å; K697-W761 HydrophobicContact CG-CZ3 3.91Å; R698-W761 HydrophobicContact CG-CE3 3.78Å; R698-W761 HydrophobicContact CG-CZ3 3.79Å; N701-W761 VanDerWaalsContact ND2-CB 3.29Å; N701-W761 WeakPolarHBondContact ND2-CB 3.32Å; L756-W761 HydrophobicContact CD1-CB 4.39Å; S757-W761 PolarHBondContact O-N 3.39Å; S759-W761 PolarHBondContact O-N 3.43Å; W761-D763 PolarHBondContact O-N 3.32Å; W761-A764 PolarHBondContact O-N 2.89Å; W761-Q765 HydrophobicContact CD2-CG 4.01Å; W761-Q765 HydrophobicContact CE3-CG 4.44Å; W761-Q765 HydrophobicContact CH2-CG 4.1Å; W761-Q765 HydrophobicContact CZ2-CG 3.61Å; W761-Q765 HydrophobicContact CZ3-CG 4.49Å; W761-Q765 WeakPolarHBondContact O-CG 3.36Å; W761-Q765 PolarHBondContact O-N 3.4Å
762Y95.4Very high89.6Confident35 Ų3536.5 Ų36.514%0.13718%0.182CC..Hα-helixtrans-61.6-42.8179.8-173-119.5000112.6Y686 P687 V694 G758 S759 E760 A766Y686-Y762 WeakPolarHBondContact CB-OH 3.5Å; Y686-Y762 AromaticContact CD1-CD1 3.39Å; Y686-Y762 HydrophobicContact CD1-CD1 3.39Å; Y686-Y762 AromaticContact CD1-CE1 3.18Å; Y686-Y762 HydrophobicContact CD1-CE1 3.18Å; Y686-Y762 HydrophobicContact CD1-CE2 4.4Å; Y686-Y762 HydrophobicContact CD1-CG 4.12Å; Y686-Y762 AromaticContact CD1-CZ 3.76Å; Y686-Y762 AromaticContact CE1-CD1 3.71Å; Y686-Y762 HydrophobicContact CE1-CD1 3.71Å; Y686-Y762 AromaticContact CE1-CE1 3.85Å; Y686-Y762 HydrophobicContact CE1-CE1 3.85Å; Y686-Y762 HydrophobicContact CG-CD1 4.38Å; Y686-Y762 AromaticContact CG-CE1 3.74Å; Y686-Y762 HydrophobicContact CG-CE1 3.74Å; P687-Y762 HydrophobicContact CB-CD2 4.36Å; P687-Y762 HydrophobicContact CB-CE2 3.87Å; P687-Y762 VanDerWaalsContact CD-CE2 3.49Å; P687-Y762 HydrophobicContact CG-CD2 3.87Å; P687-Y762 HydrophobicContact CG-CE2 3.77Å; P687-Y762 WeakPolarHBondContact O-CE2 3.29Å; P687-Y762 VanDerWaalsContact O-CZ 3.29Å; P687-Y762 PolarHBondContact O-OH 3.28Å; V694-Y762 HydrophobicContact CG1-CD2 4.06Å; V694-Y762 HydrophobicContact CG1-CE2 3.86Å; G758-Y762 WeakPolarHBondContact O-CB 3.46Å; G758-Y762 PolarHBondContact O-N 2.79Å; S759-Y762 WeakPolarHBondContact O-CB 3.33Å; S759-Y762 PolarHBondContact O-N 3.45Å; E760-Y762 VanDerWaalsContact C-N 3.35Å; Y762-A766 PolarHBondContact O-N 3.26Å
763D94.3Very high91.7Very high43 Ų4330.6 Ų30.623%0.2314%0.144CC..Hα-helixtrans-60.2-50.9171.6-75.1-31.3000110.5Y686 S759 W761 Q765 A766 Y767Y686-D763 WeakPolarHBondContact CE1-OD1 3.48Å; Y686-D763 VanDerWaalsContact CZ-OD1 3.28Å; Y686-D763 PolarHBondContact OH-OD1 3.25Å; S759-D763 PolarHBondContact O-N 3.27Å; W761-D763 PolarHBondContact O-N 3.32Å; D763-Q765 VanDerWaalsContact C-N 3.3Å; D763-Q765 PolarHBondContact O-N 3.07Å; D763-A766 WeakPolarHBondContact O-CB 3.39Å; D763-A766 PolarHBondContact O-N 2.67Å; D763-Y767 HydrophobicContact CB-CD2 4.37Å; D763-Y767 HydrophobicContact CB-CE2 4.42Å; D763-Y767 WeakPolarHBondContact O-CD2 2.96Å; D763-Y767 PolarHBondContact O-N 2.76Å
764A93Very high93.1Very high2 Ų220.4 Ų20.42%0.01711%0.105CC..Hα-helixtrans-56.1-41.418000000112.9E760 W761 A766 Y767 R768E760-A764 WeakPolarHBondContact O-CB 3.16Å; E760-A764 PolarHBondContact O-N 3.35Å; W761-A764 PolarHBondContact O-N 2.89Å; A764-A766 VanDerWaalsContact C-N 3.34Å; A764-A766 PolarHBondContact O-N 3.22Å; A764-Y767 PolarHBondContact O-N 3.03Å; A764-R768 WeakPolarHBondContact O-CG 3.33Å; A764-R768 PolarHBondContact O-N 3.38Å
765Q94.3Very high93.5Very high17 Ų1715.9 Ų15.98%0.0799%0.087CC..Hα-helixtrans-63.6-39.1175.9-62.6-49.7-35.500112.3E248 R662 P687 W761 D763 R768 A769E248-Q765 PolarHBondContact OE2-NE2 2.94Å; R662-Q765 PolarHBondContact NH2-O 2.75Å; P687-Q765 HydrophobicContact CG-CB 3.86Å; W761-Q765 HydrophobicContact CD2-CG 4.01Å; W761-Q765 HydrophobicContact CE3-CG 4.44Å; W761-Q765 HydrophobicContact CH2-CG 4.1Å; W761-Q765 HydrophobicContact CZ2-CG 3.61Å; W761-Q765 HydrophobicContact CZ3-CG 4.49Å; W761-Q765 WeakPolarHBondContact O-CG 3.36Å; W761-Q765 PolarHBondContact O-N 3.4Å; D763-Q765 VanDerWaalsContact C-N 3.3Å; D763-Q765 PolarHBondContact O-N 3.07Å; Q765-R768 VanDerWaalsContact NE2-NH1 3.15Å; Q765-A769 PolarHBondContact O-N 2.85Å
766A94.8Very high93.6Very high0 Ų015.1 Ų15.10%08%0.079CC..Hα-helixtrans-67.1-44.3178.600000111.4I684 P685 Y686 Y762 D763 A764 A769 L770I684-A766 HydrophobicContact CG2-CB 3.77Å; P685-A766 WeakPolarHBondContact CG-O 3.33Å; Y686-A766 HydrophobicContact CD1-CB 3.57Å; Y686-A766 HydrophobicContact CE1-CB 3.87Å; Y686-A766 HydrophobicContact CG-CB 3.97Å; Y762-A766 PolarHBondContact O-N 3.26Å; D763-A766 WeakPolarHBondContact O-CB 3.39Å; D763-A766 PolarHBondContact O-N 2.67Å; A764-A766 VanDerWaalsContact C-N 3.34Å; A764-A766 PolarHBondContact O-N 3.22Å; A766-A769 PolarHBondContact O-N 3.05Å; A766-L770 PolarHBondContact O-N 2.59Å
767Y94.2Very high93.7Very high8 Ų814.9 Ų14.93%0.0318%0.078CC..Hα-helixtrans-69.2-35.1-178.4-80.5-71.6000114D763 A764 A769 L770 N771 F794 Y801 G804 I805D763-Y767 HydrophobicContact CB-CD2 4.37Å; D763-Y767 HydrophobicContact CB-CE2 4.42Å; D763-Y767 WeakPolarHBondContact O-CD2 2.96Å; D763-Y767 PolarHBondContact O-N 2.76Å; A764-Y767 PolarHBondContact O-N 3.03Å; Y767-A769 VanDerWaalsContact C-N 3.34Å; Y767-A769 PolarHBondContact O-N 3.4Å; Y767-L770 HydrophobicContact CD1-CD2 4.3Å; Y767-L770 HydrophobicContact CE1-CD2 4.37Å; Y767-L770 PolarHBondContact O-N 2.94Å; Y767-N771 WeakPolarHBondContact O-CB 3.11Å; Y767-N771 VanDerWaalsContact O-CG 3.26Å; Y767-N771 PolarHBondContact O-N 2.74Å; Y767-N771 PolarHBondContact O-ND2 3.36Å; Y767-N771 VanDerWaalsContact O-ND2 3.08Å; Y767-F794 HydrophobicContact CE1-CE1 4.24Å; Y767-Y801 VanDerWaalsContact CE1-O 3.24Å; Y767-Y801 WeakPolarHBondContact CE1-O 3.29Å; Y767-Y801 VanDerWaalsContact CZ-O 3.27Å; Y767-Y801 VanDerWaalsContact OH-C 3.32Å; Y767-Y801 WeakPolarHBondContact OH-CA 3.32Å; Y767-Y801 WeakPolarHBondContact OH-CB 3.43Å; Y767-Y801 VanDerWaalsContact OH-CD1 3.29Å; Y767-Y801 WeakPolarHBondContact OH-CD1 3.13Å; Y767-Y801 PolarHBondContact OH-O 3.08Å; Y767-G804 WeakPolarHBondContact CB-O 3.35Å; Y767-G804 WeakPolarHBondContact CD1-O 3.44Å; Y767-I805 HydrophobicContact CD1-CD1 4.03Å; Y767-I805 HydrophobicContact CD1-CG1 4.48Å; Y767-I805 HydrophobicContact CE1-CD1 4Å; Y767-I805 HydrophobicContact CE1-CG1 4.23Å
768R91.9Very high93.5Very high9 Ų914 Ų143%0.0347%0.072CC..Hα-helixtrans-59.3-46.9172.5-74174.9-172.7152-2.6111.6E248 A764 Q765 L770 N771 Q772E248-R768 IonicContact OE1-CZ 3.59Å; E248-R768 IonicContact OE1-NH1 2.73Å; E248-R768 PolarHBondContact OE1-NH1 2.91Å; E248-R768 IonicContact OE1-NH2 2.65Å; E248-R768 PolarHBondContact OE1-NH2 3.14Å; E248-R768 IonicContact OE2-CZ 3.52Å; E248-R768 IonicContact OE2-NH1 2.7Å; E248-R768 PolarHBondContact OE2-NH1 2.93Å; A764-R768 WeakPolarHBondContact O-CG 3.33Å; A764-R768 PolarHBondContact O-N 3.38Å; Q765-R768 VanDerWaalsContact NE2-NH1 3.15Å; R768-L770 VanDerWaalsContact C-N 3.35Å; R768-L770 PolarHBondContact O-N 3.06Å; R768-N771 PolarHBondContact O-N 2.82Å; R768-Q772 WeakPolarHBondContact O-CG 3.3Å; R768-Q772 PolarHBondContact O-N 2.96Å
769A93.1Very high93.2Very high5 Ų515.4 Ų15.44%0.0418%0.077CC..Hα-helixtrans-64.1-39.7177.700000112.6C661 R662 P685 Q765 A766 Y767 Q772 A773C661-A769 HydrophobicContact CB-CB 4.3Å; R662-A769 HydrophobicContact CG-CB 3.49Å; R662-A769 VanDerWaalsContact CG-CB 3.49Å; P685-A769 HydrophobicContact CG-CB 3.96Å; Q765-A769 PolarHBondContact O-N 2.85Å; A766-A769 PolarHBondContact O-N 3.05Å; Y767-A769 VanDerWaalsContact C-N 3.34Å; Y767-A769 PolarHBondContact O-N 3.4Å; A769-Q772 PolarHBondContact O-N 3.19Å; A769-A773 PolarHBondContact O-N 2.62Å
770L95Very high92.8Very high0 Ų015.8 Ų15.80%07%0.073CC..Hα-helixtrans-63.5-52.9174.8-178.355.7000110.9A681 P685 A766 Y767 R768 Q772 A773 L774 F794 I805A681-L770 HydrophobicContact CB-CD1 3.58Å; P685-L770 HydrophobicContact CG-CB 4.01Å; A766-L770 PolarHBondContact O-N 2.59Å; Y767-L770 HydrophobicContact CD1-CD2 4.3Å; Y767-L770 HydrophobicContact CE1-CD2 4.37Å; Y767-L770 PolarHBondContact O-N 2.94Å; R768-L770 VanDerWaalsContact C-N 3.35Å; R768-L770 PolarHBondContact O-N 3.06Å; L770-Q772 PolarHBondContact O-N 2.95Å; L770-A773 WeakPolarHBondContact O-CA 3.37Å; L770-A773 WeakPolarHBondContact O-CB 3.26Å; L770-A773 PolarHBondContact O-N 3.33Å; L770-L774 HydrophobicContact CD1-CD1 4.32Å; L770-L774 HydrophobicContact CD1-CD2 4.16Å; L770-L774 HydrophobicContact CD1-CG 4.13Å; L770-L774 HydrophobicContact CG-CD1 4.1Å; L770-L774 HydrophobicContact CG-CG 4.3Å; L770-L774 WeakPolarHBondContact O-CG 3.28Å; L770-L774 PolarHBondContact O-N 2.86Å; L770-F794 HydrophobicContact CD2-CE1 4.45Å; L770-F794 HydrophobicContact CD2-CZ 3.76Å; L770-I805 HydrophobicContact CD2-CD1 3.54Å; L770-I805 HydrophobicContact CG-CD1 4.13Å
771N92.9Very high92.5Very high1 Ų114.2 Ų14.21%0.0057%0.069CC..Hα-helixtrans-57.9-34.1179.8-71.8-36.9000112.1T485 Y767 R768 L774 G775 G804 I805 S806T485-N771 HydrophobicContact CG2-CB 3.76Å; Y767-N771 WeakPolarHBondContact O-CB 3.11Å; Y767-N771 VanDerWaalsContact O-CG 3.26Å; Y767-N771 PolarHBondContact O-N 2.74Å; Y767-N771 PolarHBondContact O-ND2 3.36Å; Y767-N771 VanDerWaalsContact O-ND2 3.08Å; R768-N771 PolarHBondContact O-N 2.82Å; N771-L774 PolarHBondContact O-N 3.46Å; N771-G775 PolarHBondContact O-N 3.33Å; N771-G804 PolarHBondContact ND2-O 3.4Å; N771-I805 WeakPolarHBondContact OD1-CA 3.27Å; N771-S806 PolarHBondContact OD1-N 2.87Å
772Q92Very high92.1Very high15 Ų1519.2 Ų19.27%0.0710%0.097CC..Hα-helixtrans-64.8-40.4174.8-78.6-16754.100113.1H245 T485 R768 A769 L770 R776H245-Q772 PolarHBondContact CD2-NE2 3.34Å; H245-Q772 PolarHBondContact NE2-NE2 3.36Å; T485-Q772 HydrophobicContact CG2-CG 4Å; T485-Q772 VanDerWaalsContact OG1-CG 3.3Å; T485-Q772 WeakPolarHBondContact OG1-CG 3.19Å; R768-Q772 WeakPolarHBondContact O-CG 3.3Å; R768-Q772 PolarHBondContact O-N 2.96Å; A769-Q772 PolarHBondContact O-N 3.19Å; L770-Q772 PolarHBondContact O-N 2.95Å; Q772-R776 PolarHBondContact O-NE 3.39Å
773A94Very high92Very high0 Ų017.5 Ų17.50%09%0.091CC..Hα-helixtrans-67-42.6174.700000111.6F563 A769 L770 G775 R776F563-A773 HydrophobicContact CB-CB 4.11Å; F563-A773 HydrophobicContact CD1-CB 3.98Å; F563-A773 HydrophobicContact CD2-CB 3.63Å; F563-A773 HydrophobicContact CE1-CB 4.31Å; F563-A773 HydrophobicContact CE2-CB 3.96Å; F563-A773 WeakPolarHBondContact CE2-O 3.24Å; F563-A773 HydrophobicContact CG-CB 3.63Å; F563-A773 HydrophobicContact CZ-CB 4.3Å; A769-A773 PolarHBondContact O-N 2.62Å; L770-A773 WeakPolarHBondContact O-CA 3.37Å; L770-A773 WeakPolarHBondContact O-CB 3.26Å; L770-A773 PolarHBondContact O-N 3.33Å; A773-G775 PolarHBondContact O-N 3.16Å; A773-R776 WeakPolarHBondContact O-CB 3.43Å; A773-R776 WeakPolarHBondContact O-CG 3.46Å; A773-R776 PolarHBondContact O-N 3.24Å
774L93.7Very high92Very high0 Ų015.8 Ų15.80%08%0.081CC..Hα-helixtrans-67.5-35.7178.8-57.3-177.1000112.8V679 A681 L770 N771 R776 C777 I787 L789 I805 I809V679-L774 HydrophobicContact CG1-CD2 4.24Å; A681-L774 HydrophobicContact CB-CD2 3.92Å; L770-L774 HydrophobicContact CD1-CD1 4.32Å; L770-L774 HydrophobicContact CD1-CD2 4.16Å; L770-L774 HydrophobicContact CD1-CG 4.13Å; L770-L774 HydrophobicContact CG-CD1 4.1Å; L770-L774 HydrophobicContact CG-CG 4.3Å; L770-L774 WeakPolarHBondContact O-CG 3.28Å; L770-L774 PolarHBondContact O-N 2.86Å; N771-L774 PolarHBondContact O-N 3.46Å; L774-R776 PolarHBondContact O-N 3.46Å; L774-C777 PolarHBondContact O-N 2.96Å; L774-I787 HydrophobicContact CB-CD1 4.33Å; L774-I787 HydrophobicContact CD2-CG2 3.76Å; L774-L789 HydrophobicContact CD1-CD2 3.78Å; L774-L789 HydrophobicContact CD2-CD2 3.57Å; L774-L789 HydrophobicContact CG-CD2 4.29Å; L774-I805 HydrophobicContact CD1-CD1 4.1Å; L774-I809 HydrophobicContact CB-CD1 3.53Å; L774-I809 HydrophobicContact CD1-CD1 3.73Å; L774-I809 HydrophobicContact CG-CD1 4.29Å
775G90.7Very high92.2Very high4 Ų415.7 Ų15.74%0.0418%0.08CC..THydrogen-bonded Turntrans-65-3.2176.300000114.7T46 N771 A773 C777T46-G775 PolarHBondContact OG1-O 2.83Å; N771-G775 PolarHBondContact O-N 3.33Å; A773-G775 PolarHBondContact O-N 3.16Å; G775-C777 VanDerWaalsContact C-N 3.33Å
776R90.9Very high92.3Very high23 Ų2314.9 Ų14.99%0.0878%0.076CC..THydrogen-bonded Turntrans-75.7-21.4175.6-56.2-63.3114.3-168.611.6113.2L561 F563 S666 L669 Q772 A773 L774 R779L561-R776 HydrophobicContact CD1-CB 3.84Å; F563-R776 HydrophobicContact CE2-CG 4.27Å; F563-R776 HydrophobicContact CZ-CG 3.96Å; S666-R776 VanDerWaalsContact O-CZ 3.31Å; S666-R776 PolarHBondContact O-NE 2.93Å; S666-R776 PolarHBondContact O-NH2 3.42Å; L669-R776 PolarHBondContact O-NH1 3.41Å; Q772-R776 PolarHBondContact O-NE 3.39Å; A773-R776 WeakPolarHBondContact O-CB 3.43Å; A773-R776 WeakPolarHBondContact O-CG 3.46Å; A773-R776 PolarHBondContact O-N 3.24Å; L774-R776 PolarHBondContact O-N 3.46Å; R776-R779 PolarHBondContact O-NE 3Å; R776-R779 PolarHBondContact O-NH2 3.4Å
777C92.3Very high92.5Very high0 Ų014.9 Ų14.90%08%0.076CC..SBendtrans-68.7-34.9-169.3-168.60000114.8V679 L774 G775 S786 I787V679-C777 HydrophobicContact CB-CB 4.39Å; V679-C777 HydrophobicContact CG2-CB 3.6Å; L774-C777 PolarHBondContact O-N 2.96Å; G775-C777 VanDerWaalsContact C-N 3.33Å; C777-S786 PolarHBondContact SG-O 3.37Å; C777-I787 HydrophobicContact CB-CD1 4.16Å; C777-I787 HydrophobicContact CB-CG1 4.07Å
778I91.9Very high92.7Very high1 Ų114.5 Ų14.51%0.0058%0.075CC..  trans-127129.5-173.4-59.6-61.3000109.5H508 I510 L515 D783H508-I778 WeakPolarHBondContact CE1-CG2 3.14Å; H508-I778 VanDerWaalsContact NE2-CG2 3.32Å; H508-I778 WeakPolarHBondContact NE2-CG2 3.46Å; I510-I778 HydrophobicContact CD1-CD1 3.74Å; I510-I778 HydrophobicContact CD1-CG1 4.14Å; I510-I778 HydrophobicContact CD1-CG2 3.75Å; L515-I778 HydrophobicContact CD1-CD1 4.22Å; L515-I778 HydrophobicContact CD1-CG1 3.95Å; I778-D783 HydrophobicContact CD1-CB 4.45Å; I778-D783 HydrophobicContact CG2-CB 4.19Å
779R88.5Confident93Very high28 Ų2814.1 Ų14.111%0.1067%0.073CC..  trans-118.2-18.9-177-59.5-55.9176.9133.69116.1G47 L669 D670 F671 A672 R776 D783G47-R779 WeakPolarHBondContact CA-O 3.44Å; L669-R779 PolarHBondContact O-NH1 3.35Å; L669-R779 VanDerWaalsContact O-NH1 3.08Å; L669-R779 PolarHBondContact O-NH2 3.02Å; D670-R779 WeakPolarHBondContact OD1-CD 3.36Å; D670-R779 WeakPolarHBondContact OD1-CG 3.4Å; D670-R779 IonicContact OD1-CZ 3.28Å; D670-R779 IonicContact OD1-NE 2.82Å; D670-R779 PolarHBondContact OD1-NE 3.36Å; D670-R779 IonicContact OD1-NH1 2.75Å; D670-R779 PolarHBondContact OD1-NH1 2.98Å; D670-R779 VanDerWaalsContact OD1-NH1 3.17Å; F671-R779 WeakPolarHBondContact O-CG 3.27Å; A672-R779 HydrophobicContact CB-CB 3.89Å; A672-R779 HydrophobicContact CB-CG 3.99Å; R776-R779 PolarHBondContact O-NE 3Å; R776-R779 PolarHBondContact O-NH2 3.4Å; R779-D783 PolarHBondContact N-OD2 3.04Å
780H87.8Confident93.3Very high68 Ų6813.9 Ų13.932%0.3157%0.072SC..SBendtrans-152.4174.117549.867.5000112.3D673 N782 D783D673-H780 IonicContact OD1-CE1 2.73Å; D673-H780 PolarHBondContact OD1-CE1 3.04Å; D673-H780 IonicContact OD1-NE2 3.67Å; D673-H780 PolarHBondContact OD1-NE2 3.48Å; D673-H780 VanDerWaalsContact OD1-NE2 3.13Å; D673-H780 IonicContact OD2-NE2 3.75Å; H780-N782 VanDerWaalsContact C-N 3.27Å; H780-N782 PolarHBondContact O-N 2.94Å; H780-D783 PolarHBondContact ND1-N 3.01Å; H780-D783 WeakPolarHBondContact O-CB 3.35Å; H780-D783 PolarHBondContact O-N 3.3Å; H780-D783 VanDerWaalsContact O-N 3.11Å
781A86.1Confident93.4Very high24 Ų2413.9 Ų13.920%0.1987%0.072CC..THydrogen-bonded Turntrans-61.7-31-173.200000114.3V509V509-A781 HydrophobicContact CG1-CB 4.23Å
782N88.4Confident93.6Very high120 Ų12013.9 Ų13.964%0.6427%0.072SC*.THydrogen-bonded Turntrans-96.46.5178.8-61.3-11.3000113.2R514 H780R514-N782 PolarHBondContact NH1-O 3.13Å; H780-N782 VanDerWaalsContact C-N 3.27Å; H780-N782 PolarHBondContact O-N 2.94Å
783D92Very high93.9Very high0 Ų014.1 Ų14.10%07%0.072CC..  trans-75.3166.2176.7-156.2-8.7000109.7I510 D673 R677 I778 R779 H780I510-D783 WeakPolarHBondContact CD1-O 3.49Å; D673-D783 WeakPolarHBondContact CA-OD1 3.29Å; D673-D783 PolarHBondContact N-OD1 2.74Å; D673-D783 PolarHBondContact N-OD2 2.98Å; R677-D783 IonicContact NH1-OD1 2.76Å; R677-D783 PolarHBondContact NH1-OD1 3.14Å; I778-D783 HydrophobicContact CD1-CB 4.45Å; I778-D783 HydrophobicContact CG2-CB 4.19Å; R779-D783 PolarHBondContact N-OD2 3.04Å; H780-D783 PolarHBondContact ND1-N 3.01Å; H780-D783 WeakPolarHBondContact O-CB 3.35Å; H780-D783 PolarHBondContact O-N 3.3Å; H780-D783 VanDerWaalsContact O-N 3.11Å
784W95.2Very high94Very high6 Ų614.1 Ų14.12%0.0237%0.072CC..  trans-147.3151.1171.168.1-92.2000111.1R514 R677 F829 H833 E837R514-W784 HydrophobicContact CB-CB 3.97Å; R514-W784 HydrophobicContact CG-CB 4.31Å; R514-W784 CarbonylContact O-C 3.57Å; R514-W784 WeakPolarHBondContact O-CA 3.46Å; R514-W784 VanDerWaalsContact O-CB 3.31Å; R514-W784 WeakPolarHBondContact O-CB 3.46Å; R677-W784 HydrophobicContact CG-CH2 4.18Å; R677-W784 HydrophobicContact CG-CZ2 4.39Å; R677-W784 VanDerWaalsContact NE-CE2 3.35Å; R677-W784 VanDerWaalsContact NE-CZ2 3.33Å; R677-W784 PolarHBondContact NH1-O 3.03Å; W784-F829 AromaticContact CE3-CE1 3.62Å; W784-F829 HydrophobicContact CE3-CE1 3.62Å; W784-F829 AromaticContact CE3-CZ 3.96Å; W784-F829 HydrophobicContact CE3-CZ 3.96Å; W784-F829 HydrophobicContact CZ3-CD1 4.48Å; W784-F829 AromaticContact CZ3-CE1 3.88Å; W784-F829 HydrophobicContact CZ3-CE1 3.88Å; W784-H833 AromaticContact CD1-CD2 3.98Å; W784-H833 HydrophobicContact CD2-CB 3.61Å; W784-H833 AromaticContact CD2-CD2 3.94Å; W784-H833 AromaticContact CD2-CG 3.75Å; W784-H833 HydrophobicContact CE3-CB 3.94Å; W784-H833 AromaticContact CE3-CG 3.98Å; W784-H833 HydrophobicContact CG-CB 4.07Å; W784-H833 AromaticContact CG-CD2 3.57Å; W784-H833 AromaticContact CG-CG 3.9Å; W784-H833 HydrophobicContact CH2-CB 4.14Å; W784-H833 HydrophobicContact CZ2-CB 3.82Å; W784-H833 HydrophobicContact CZ3-CB 4.2Å; W784-E837 PolarHBondContact NE1-OE1 3.18Å
785G96.2Very high94.2Very high0 Ų015.3 Ų15.30%08%0.079CC..EExtended strand (participates in β ladder)trans-174.5169.4-178.100000113.4R514 L515 L516 R677 F829R514-G785 PolarHBondContact O-N 2.97Å; L515-G785 WeakPolarHBondContact CA-O 3.48Å; L516-G785 PolarHBondContact N-O 3.34Å; L516-G785 VanDerWaalsContact N-O 3.08Å; R677-G785 WeakPolarHBondContact O-CA 3.38Å; G785-F829 VanDerWaalsContact O-CZ 3.24Å; G785-F829 WeakPolarHBondContact O-CZ 3.28Å
786S97.8Very high94.5Very high1 Ų119.5 Ų19.51%0.00710%0.098CC..EExtended strand (participates in β ladder)trans-122.5148.3-179.358.70000111.2L516 R677 L678 V679 C777L516-S786 CarbonylContact O-C 3.42Å; L516-S786 VanDerWaalsContact O-CA 3.26Å; L516-S786 WeakPolarHBondContact O-CA 3.37Å; R677-S786 PolarHBondContact O-N 3.46Å; R677-S786 PolarHBondContact O-OG 2.72Å; L678-S786 CarbonylContact C-O 3.59Å; L678-S786 WeakPolarHBondContact CA-O 3.22Å; L678-S786 WeakPolarHBondContact CD1-OG 3.35Å; V679-S786 PolarHBondContact N-O 2.87Å; C777-S786 PolarHBondContact SG-O 3.37Å
787I98.1Very high94.7Very high0 Ų022.8 Ų22.80%011%0.114CC..EExtended strand (participates in β ladder)trans-126.1129.6177.4-62.6178.3000108.3L515 L516 V517 T518 V679 L774 C777 L789 I809L515-I787 HydrophobicContact CD1-CD1 4.16Å; L515-I787 HydrophobicContact CD1-CG1 4.3Å; L516-I787 PolarHBondContact O-N 3.2Å; V517-I787 HydrophobicContact CG1-CB 4.42Å; V517-I787 HydrophobicContact CG1-CG2 4.47Å; V517-I787 HydrophobicContact CG2-CD1 4.47Å; T518-I787 PolarHBondContact N-O 3.21Å; T518-I787 PolarHBondContact OG1-O 3.42Å; V679-I787 HydrophobicContact CB-CG1 4.39Å; V679-I787 CarbonylContact O-C 3.56Å; V679-I787 VanDerWaalsContact O-CA 3.3Å; V679-I787 WeakPolarHBondContact O-CA 3.44Å; L774-I787 HydrophobicContact CB-CD1 4.33Å; L774-I787 HydrophobicContact CD2-CG2 3.76Å; C777-I787 HydrophobicContact CB-CD1 4.16Å; C777-I787 HydrophobicContact CB-CG1 4.07Å; I787-L789 HydrophobicContact CG2-CD2 4.11Å; I787-L789 HydrophobicContact CG2-CG 4.33Å; I787-I809 HydrophobicContact CD1-CD1 4.45Å
788I98.6Very high94.8Very high0 Ų024.5 Ų24.50%013%0.126CC..EExtended strand (participates in β ladder)trans-117.2114.3171.6-60.6171.9000108.7T518 L520 A552 L678 V679 I680 A681 A790 L822 L826T518-I788 WeakPolarHBondContact OG1-CG1 3.41Å; L520-I788 HydrophobicContact CB-CG2 4.44Å; A552-I788 HydrophobicContact CB-CD1 4.25Å; L678-I788 HydrophobicContact CD1-CB 4.38Å; L678-I788 HydrophobicContact CD1-CD1 3.72Å; L678-I788 HydrophobicContact CD1-CG1 3.73Å; L678-I788 HydrophobicContact CD2-CD1 4.18Å; V679-I788 PolarHBondContact O-N 2.96Å; I680-I788 WeakPolarHBondContact CA-O 3.5Å; I680-I788 HydrophobicContact CG2-CB 4.45Å; A681-I788 PolarHBondContact N-O 3.29Å; I788-A790 HydrophobicContact CG2-CB 4.43Å; I788-L822 HydrophobicContact CD1-CD2 4.04Å; I788-L822 HydrophobicContact CG1-CD1 4.39Å; I788-L822 HydrophobicContact CG1-CD2 4.46Å; I788-L822 HydrophobicContact CG2-CD1 4.21Å; I788-L826 HydrophobicContact CD1-CD2 4.23Å
789L98.5Very high94.8Very high0 Ų029.9 Ų29.90%016%0.164CC..EExtended strand (participates in β ladder)trans-91.496.5168.3-58.2-177.7000109T518 T519 L520 A681 L774 I787 D791 F794 I805T518-L789 PolarHBondContact O-N 3.4Å; T519-L789 WeakPolarHBondContact CA-O 3.43Å; T519-L789 HydrophobicContact CG2-CB 3.83Å; T519-L789 HydrophobicContact CG2-CD1 3.85Å; T519-L789 HydrophobicContact CG2-CG 4.27Å; L520-L789 PolarHBondContact N-O 3.37Å; A681-L789 HydrophobicContact CB-CD2 3.89Å; L774-L789 HydrophobicContact CD1-CD2 3.78Å; L774-L789 HydrophobicContact CD2-CD2 3.57Å; L774-L789 HydrophobicContact CG-CD2 4.29Å; I787-L789 HydrophobicContact CG2-CD2 4.11Å; I787-L789 HydrophobicContact CG2-CG 4.33Å; L789-D791 PolarHBondContact O-N 2.85Å; L789-D791 VanDerWaalsContact O-N 3.16Å; L789-F794 HydrophobicContact CB-CD2 3.85Å; L789-F794 HydrophobicContact CB-CE2 4.03Å; L789-F794 HydrophobicContact CB-CG 4.46Å; L789-F794 HydrophobicContact CD1-CE1 4.49Å; L789-F794 HydrophobicContact CD1-CZ 4.5Å; L789-I805 HydrophobicContact CD1-CD1 4.28Å; L789-I805 HydrophobicContact CD1-CG1 4.5Å
790A98.3Very high95Very high1 Ų135.1 Ų35.11%0.00818%0.183CC..EExtended strand (participates in β ladder)trans-87.379.8-177.200000110.8L529 I545 A681 G683 I788L529-A790 HydrophobicContact CD1-CB 4.37Å; I545-A790 HydrophobicContact CD1-CB 4.36Å; A681-A790 PolarHBondContact O-N 3.29Å; G683-A790 PolarHBondContact N-O 3.37Å; I788-A790 HydrophobicContact CG2-CB 4.43Å
791D97.7Very high95.3Very high0 Ų032.8 Ų32.80%017%0.172CC..  trans-161.5128.1168.8-161.1-67.9000111.3L520 L529 A531 G683 L789 R793 F794L520-D791 CarbonylContact O-C 3.59Å; L520-D791 PolarHBondContact O-N 2.71Å; L529-D791 CarbonylContact O-C 3.59Å; L529-D791 WeakPolarHBondContact O-CA 3.39Å; A531-D791 WeakPolarHBondContact CB-OD2 3.48Å; A531-D791 PolarHBondContact N-OD2 3.36Å; G683-D791 WeakPolarHBondContact CA-OD2 3.27Å; L789-D791 PolarHBondContact O-N 2.85Å; L789-D791 VanDerWaalsContact O-N 3.16Å; D791-R793 PolarHBondContact O-N 2.78Å; D791-R793 VanDerWaalsContact O-N 3.12Å; D791-R793 WeakPolarHBondContact OD1-CB 3.4Å; D791-R793 VanDerWaalsContact OD1-CG 3.24Å; D791-R793 WeakPolarHBondContact OD1-CG 3.31Å; D791-R793 IonicContact OD1-CZ 3.83Å; D791-R793 PolarHBondContact OD1-N 3.06Å; D791-R793 IonicContact OD1-NE 3.94Å; D791-R793 PolarHBondContact OD1-NE 3.47Å; D791-R793 IonicContact OD1-NH2 3.49Å; D791-R793 IonicContact OD2-CZ 3.16Å; D791-R793 IonicContact OD2-NE 3.26Å; D791-R793 PolarHBondContact OD2-NE 3.45Å; D791-R793 IonicContact OD2-NH2 2.66Å; D791-R793 PolarHBondContact OD2-NH2 2.83Å; D791-F794 HydrophobicContact CB-CD2 3.73Å; D791-F794 HydrophobicContact CB-CE2 3.9Å; D791-F794 PolarHBondContact O-N 2.87Å; D791-F794 VanDerWaalsContact O-N 3.09Å
792A98Very high95.6Very high0 Ų032 Ų320%016%0.164CC..THydrogen-bonded Turntrans-57.2-28.1-179.800000113.5R528 L529 F794 V795 E796R528-A792 HydrophobicContact CG-CB 3.83Å; L529-A792 WeakPolarHBondContact O-CB 3.5Å; L529-A792 PolarHBondContact O-N 3.34Å; A792-F794 PolarHBondContact O-N 3.48Å; A792-V795 PolarHBondContact O-N 3.48Å; A792-V795 VanDerWaalsContact O-N 3.09Å; A792-E796 WeakPolarHBondContact O-CB 3.32Å; A792-E796 WeakPolarHBondContact O-CG 3.39Å; A792-E796 PolarHBondContact O-N 2.95Å
793R97.2Very high95.7Very high20 Ų2030 Ų308%0.07516%0.159CC..Hα-helixtrans-59.9-32.4177.4-68.1174.7-71.3178.3-4.4112.8A531 D791 V795 Q797 Y801A531-R793 PolarHBondContact O-NH2 2.93Å; D791-R793 PolarHBondContact O-N 2.78Å; D791-R793 VanDerWaalsContact O-N 3.12Å; D791-R793 WeakPolarHBondContact OD1-CB 3.4Å; D791-R793 VanDerWaalsContact OD1-CG 3.24Å; D791-R793 WeakPolarHBondContact OD1-CG 3.31Å; D791-R793 IonicContact OD1-CZ 3.83Å; D791-R793 PolarHBondContact OD1-N 3.06Å; D791-R793 IonicContact OD1-NE 3.94Å; D791-R793 PolarHBondContact OD1-NE 3.47Å; D791-R793 IonicContact OD1-NH2 3.49Å; D791-R793 IonicContact OD2-CZ 3.16Å; D791-R793 IonicContact OD2-NE 3.26Å; D791-R793 PolarHBondContact OD2-NE 3.45Å; D791-R793 IonicContact OD2-NH2 2.66Å; D791-R793 PolarHBondContact OD2-NH2 2.83Å; R793-V795 VanDerWaalsContact C-N 3.29Å; R793-V795 PolarHBondContact O-N 2.94Å; R793-Q797 CarbonylContact O-C 3.55Å; R793-Q797 WeakPolarHBondContact O-CA 3.42Å; R793-Q797 PolarHBondContact O-N 3.12Å; R793-Q797 VanDerWaalsContact O-N 3.07Å; R793-Y801 HydrophobicContact CB-CD1 4.34Å; R793-Y801 HydrophobicContact CB-CD2 3.75Å; R793-Y801 HydrophobicContact CB-CE1 4.45Å; R793-Y801 HydrophobicContact CB-CE2 3.87Å; R793-Y801 HydrophobicContact CB-CG 4Å; R793-Y801 HydrophobicContact CG-CE2 4.2Å; R793-Y801 WeakPolarHBondContact O-CD2 2.92Å
794F97.2Very high95.6Very high0 Ų030.1 Ų30.10%016%0.16CC..Hα-helixtrans-69.5-27178-68.5-64.5000113.3T519 I684 Y767 L770 L789 D791 A792 S798 Y801 M802 I805 H815T519-F794 HydrophobicContact CG2-CB 3.66Å; T519-F794 HydrophobicContact CG2-CG 4.28Å; I684-F794 HydrophobicContact CD1-CE1 4.33Å; I684-F794 HydrophobicContact CD1-CZ 4Å; I684-F794 HydrophobicContact CG1-CE1 4.44Å; I684-F794 HydrophobicContact CG1-CE2 4.06Å; I684-F794 HydrophobicContact CG1-CZ 3.66Å; Y767-F794 HydrophobicContact CE1-CE1 4.24Å; L770-F794 HydrophobicContact CD2-CE1 4.45Å; L770-F794 HydrophobicContact CD2-CZ 3.76Å; L789-F794 HydrophobicContact CB-CD2 3.85Å; L789-F794 HydrophobicContact CB-CE2 4.03Å; L789-F794 HydrophobicContact CB-CG 4.46Å; L789-F794 HydrophobicContact CD1-CE1 4.49Å; L789-F794 HydrophobicContact CD1-CZ 4.5Å; D791-F794 HydrophobicContact CB-CD2 3.73Å; D791-F794 HydrophobicContact CB-CE2 3.9Å; D791-F794 PolarHBondContact O-N 2.87Å; D791-F794 VanDerWaalsContact O-N 3.09Å; A792-F794 PolarHBondContact O-N 3.48Å; F794-S798 WeakPolarHBondContact O-CA 3.36Å; F794-S798 WeakPolarHBondContact O-CB 3.24Å; F794-Y801 WeakPolarHBondContact CE1-O 3.06Å; F794-M802 HydrophobicContact CB-SD 4.37Å; F794-M802 HydrophobicContact CD1-SD 3.8Å; F794-M802 HydrophobicContact CG-SD 4.45Å; F794-I805 HydrophobicContact CE1-CD1 4.17Å; F794-I805 HydrophobicContact CE1-CG1 4.26Å; F794-H815 PolarHBondContact O-CE1 3.46Å; F794-H815 VanDerWaalsContact O-CE1 3.3Å
795V97.5Very high95.5Very high25 Ų2529.9 Ų29.915%0.15216%0.159CC..Hα-helixtrans-91.3-52.3179.8179.50000110.1T519 A792 R793 H815T519-V795 WeakPolarHBondContact OG1-CG2 3.19Å; A792-V795 PolarHBondContact O-N 3.48Å; A792-V795 VanDerWaalsContact O-N 3.09Å; R793-V795 VanDerWaalsContact C-N 3.29Å; R793-V795 PolarHBondContact O-N 2.94Å; V795-H815 HydrophobicContact CG1-CB 4.37Å; V795-H815 HydrophobicContact CG2-CB 4.49Å
796E96.9Very high95.2Very high93 Ų9329.9 Ų29.944%0.43516%0.159SC..Hα-helixtrans-74.9-29.4-172.1-64.4171.3-173.200113.2R528 A792R528-E796 IonicContact CZ-OE1 2.75Å; R528-E796 IonicContact CZ-OE2 3.81Å; R528-E796 IonicContact NE-OE1 3.08Å; R528-E796 PolarHBondContact NE-OE1 2.94Å; R528-E796 IonicContact NE-OE2 3.16Å; R528-E796 PolarHBondContact NE-OE2 3.45Å; R528-E796 IonicContact NH2-OE1 3.47Å; R528-E796 IonicContact NH2-OE2 2.77Å; R528-E796 PolarHBondContact NH2-OE2 3.33Å; A792-E796 WeakPolarHBondContact O-CB 3.32Å; A792-E796 WeakPolarHBondContact O-CG 3.39Å; A792-E796 PolarHBondContact O-N 2.95Å
797Q95.1Very high94.8Very high92 Ų9236 Ų3643%0.4318%0.182SC..THydrogen-bonded Turntrans-128.942.9-178-68.1-178-39.100110.3R793 S799 R800 Y801R793-Q797 CarbonylContact O-C 3.55Å; R793-Q797 WeakPolarHBondContact O-CA 3.42Å; R793-Q797 PolarHBondContact O-N 3.12Å; R793-Q797 VanDerWaalsContact O-N 3.07Å; Q797-S799 VanDerWaalsContact C-N 3.32Å; Q797-S799 PolarHBondContact O-N 3.27Å; Q797-R800 PolarHBondContact O-N 3.14Å; Q797-Y801 HydrophobicContact CB-CD2 3.59Å; Q797-Y801 HydrophobicContact CB-CE2 3.75Å; Q797-Y801 WeakPolarHBondContact O-CD2 3.26Å; Q797-Y801 PolarHBondContact O-N 2.98Å; Q797-Y801 VanDerWaalsContact OE1-CE2 3.27Å
798S94.5Very high94.4Very high35 Ų3536.4 Ų36.425%0.24518%0.184CC..Hα-helixtrans-50.7-45.5-174.5-179.30000113.2F794 R800 Y801 M802 H815F794-S798 WeakPolarHBondContact O-CA 3.36Å; F794-S798 WeakPolarHBondContact O-CB 3.24Å; S798-R800 PolarHBondContact O-N 3.49Å; S798-R800 VanDerWaalsContact O-N 3.12Å; S798-Y801 PolarHBondContact O-N 3.39Å; S798-M802 WeakPolarHBondContact O-CB 3.34Å; S798-M802 PolarHBondContact O-N 3.33Å; S798-M802 WeakPolarHBondContact OG-CG 3.42Å; S798-H815 PolarHBondContact OG-CE1 2.93Å; S798-H815 PolarHBondContact OG-NE2 3.41Å; S798-H815 VanDerWaalsContact OG-NE2 3.09Å
799S91.9Very high94Very high115 Ų11536.4 Ų36.480%0.80418%0.184SC*.Hα-helixtrans-57.5-31.8179.157.80000113.8Q797Q797-S799 VanDerWaalsContact C-N 3.32Å; Q797-S799 PolarHBondContact O-N 3.27Å
800R92.4Very high93.7Very high137 Ų13741 Ų4152%0.51720%0.201SC..Hα-helixtrans-86.2-43.3177.8178.5178.6177.5179.52112.6Q797 S798 C803Q797-R800 PolarHBondContact O-N 3.14Å; S798-R800 PolarHBondContact O-N 3.49Å; S798-R800 VanDerWaalsContact O-N 3.12Å; R800-C803 PolarHBondContact O-SG 3.49Å
801Y93.2Very high93.2Very high20 Ų2044.9 Ų44.98%0.07823%0.228CC..Hα-helixtrans-97.8-19.2-169.2-68.8-81.1000114.4I684 Y767 R793 F794 Q797 S798I684-Y801 HydrophobicContact CD1-CD1 3.41Å; I684-Y801 VanDerWaalsContact CD1-CD1 3.41Å; I684-Y801 HydrophobicContact CD1-CE1 3.88Å; I684-Y801 HydrophobicContact CD1-CG 4.33Å; Y767-Y801 VanDerWaalsContact CE1-O 3.24Å; Y767-Y801 WeakPolarHBondContact CE1-O 3.29Å; Y767-Y801 VanDerWaalsContact CZ-O 3.27Å; Y767-Y801 VanDerWaalsContact OH-C 3.32Å; Y767-Y801 WeakPolarHBondContact OH-CA 3.32Å; Y767-Y801 WeakPolarHBondContact OH-CB 3.43Å; Y767-Y801 VanDerWaalsContact OH-CD1 3.29Å; Y767-Y801 WeakPolarHBondContact OH-CD1 3.13Å; Y767-Y801 PolarHBondContact OH-O 3.08Å; R793-Y801 HydrophobicContact CB-CD1 4.34Å; R793-Y801 HydrophobicContact CB-CD2 3.75Å; R793-Y801 HydrophobicContact CB-CE1 4.45Å; R793-Y801 HydrophobicContact CB-CE2 3.87Å; R793-Y801 HydrophobicContact CB-CG 4Å; R793-Y801 HydrophobicContact CG-CE2 4.2Å; R793-Y801 WeakPolarHBondContact O-CD2 2.92Å; F794-Y801 WeakPolarHBondContact CE1-O 3.06Å; Q797-Y801 HydrophobicContact CB-CD2 3.59Å; Q797-Y801 HydrophobicContact CB-CE2 3.75Å; Q797-Y801 WeakPolarHBondContact O-CD2 3.26Å; Q797-Y801 PolarHBondContact O-N 2.98Å; Q797-Y801 VanDerWaalsContact OE1-CE2 3.27Å; S798-Y801 PolarHBondContact O-N 3.39Å
802M93.3Very high93Very high7 Ų746.4 Ų46.43%0.03423%0.234CC..SBendtrans-82.1-19.2173.2-71.7-57-49.100112.7T519 F794 S798 G804 I805 R810 V813T519-M802 HydrophobicContact CG2-SD 4.17Å; F794-M802 HydrophobicContact CB-SD 4.37Å; F794-M802 HydrophobicContact CD1-SD 3.8Å; F794-M802 HydrophobicContact CG-SD 4.45Å; S798-M802 WeakPolarHBondContact O-CB 3.34Å; S798-M802 PolarHBondContact O-N 3.33Å; S798-M802 WeakPolarHBondContact OG-CG 3.42Å; M802-G804 PolarHBondContact O-N 3.43Å; M802-I805 HydrophobicContact CE-CB 3.8Å; M802-I805 HydrophobicContact CE-CG1 3.75Å; M802-I805 HydrophobicContact CE-CG2 4Å; M802-I805 PolarHBondContact O-N 3Å; M802-I805 VanDerWaalsContact O-N 3.1Å; M802-I805 HydrophobicContact SD-CG1 4.14Å; M802-R810 HydrophobicContact CB-CG 4.47Å; M802-R810 HydrophobicContact CE-CB 4.21Å; M802-R810 HydrophobicContact CE-CG 4.03Å; M802-R810 VanDerWaalsContact O-CD 3.27Å; M802-R810 WeakPolarHBondContact O-CD 3.31Å; M802-V813 HydrophobicContact CE-CB 4.19Å; M802-V813 HydrophobicContact CE-CG1 4.14Å; M802-V813 HydrophobicContact CE-CG2 4.11Å; M802-V813 HydrophobicContact SD-CG2 4.34Å
803C90.1Very high92.8Very high77 Ų7747.7 Ų47.752%0.5224%0.242SC..THydrogen-bonded Turntrans-64.1-26.5-177.772.90000113.2R800 R810R800-C803 PolarHBondContact O-SG 3.49Å; C803-R810 PolarHBondContact O-NH1 3.03Å
804G90.2Very high92.9Very high3 Ų349.8 Ų49.83%0.03125%0.254CS..THydrogen-bonded Turntrans-83.9-11.7176.200000115Y767 N771 M802Y767-G804 WeakPolarHBondContact CB-O 3.35Å; Y767-G804 WeakPolarHBondContact CD1-O 3.44Å; N771-G804 PolarHBondContact ND2-O 3.4Å; M802-G804 PolarHBondContact O-N 3.43Å
805I92.5Very high92.9Very high1 Ų153.5 Ų53.51%0.00527%0.272CS..SBendtrans-78.2135.8175.7-59.9-63.8000109.5Y767 L770 N771 L774 L789 F794 M802 R807 I809 R810Y767-I805 HydrophobicContact CD1-CD1 4.03Å; Y767-I805 HydrophobicContact CD1-CG1 4.48Å; Y767-I805 HydrophobicContact CE1-CD1 4Å; Y767-I805 HydrophobicContact CE1-CG1 4.23Å; L770-I805 HydrophobicContact CD2-CD1 3.54Å; L770-I805 HydrophobicContact CG-CD1 4.13Å; N771-I805 WeakPolarHBondContact OD1-CA 3.27Å; L774-I805 HydrophobicContact CD1-CD1 4.1Å; L789-I805 HydrophobicContact CD1-CD1 4.28Å; L789-I805 HydrophobicContact CD1-CG1 4.5Å; F794-I805 HydrophobicContact CE1-CD1 4.17Å; F794-I805 HydrophobicContact CE1-CG1 4.26Å; M802-I805 HydrophobicContact CE-CB 3.8Å; M802-I805 HydrophobicContact CE-CG1 3.75Å; M802-I805 HydrophobicContact CE-CG2 4Å; M802-I805 PolarHBondContact O-N 3Å; M802-I805 VanDerWaalsContact O-N 3.1Å; M802-I805 HydrophobicContact SD-CG1 4.14Å; I805-R807 PolarHBondContact O-N 3.2Å; I805-I809 HydrophobicContact CG2-CB 3.67Å; I805-I809 HydrophobicContact CG2-CD1 4.45Å; I805-I809 HydrophobicContact CG2-CG2 3.55Å; I805-R810 HydrophobicContact CG2-CB 4.48Å
806S91.2Very high92.9Very high1 Ų152.8 Ų52.81%0.00727%0.267CS..  trans-52.1139.3178.6-74.20000111.6E43 N771 W808 I809 R810E43-S806 WeakPolarHBondContact OE1-CB 3.47Å; E43-S806 PolarHBondContact OE1-OG 3.09Å; N771-S806 PolarHBondContact OD1-N 2.87Å; S806-W808 VanDerWaalsContact C-N 3.28Å; S806-W808 PolarHBondContact O-N 3.33Å; S806-W808 VanDerWaalsContact O-N 3.14Å; S806-I809 PolarHBondContact O-N 2.86Å; S806-R810 PolarHBondContact O-N 3.4Å
807R89.5Confident93Very high130 Ų13052.4 Ų52.449%0.49127%0.273SS..Hα-helixtrans-53-40.8-172.2-176.4177.2-178.2161.50.1114.2E505 I805 I809 R810 S811E505-R807 WeakPolarHBondContact OE2-CB 3.29Å; I805-R807 PolarHBondContact O-N 3.2Å; R807-I809 PolarHBondContact O-N 3.44Å; R807-R810 PolarHBondContact O-N 2.81Å; R807-S811 WeakPolarHBondContact O-CB 3.38Å; R807-S811 PolarHBondContact O-N 3.37Å; R807-S811 PolarHBondContact O-OG 3.05Å
808W87.7Confident93.1Very high8 Ų850.4 Ų50.43%0.0327%0.269CS..Hα-helixtrans-66.2-20.6-17971.4-88.3000114.5P45 H508 L515 S806 R812P45-W808 HydrophobicContact CB-CD2 4.34Å; P45-W808 HydrophobicContact CG-CB 4.19Å; P45-W808 HydrophobicContact CG-CD2 3.96Å; P45-W808 HydrophobicContact CG-CG 3.67Å; H508-W808 HydrophobicContact CB-CB 4.43Å; H508-W808 HydrophobicContact CB-CE3 4.18Å; L515-W808 HydrophobicContact CD2-CE3 3.94Å; L515-W808 HydrophobicContact CD2-CZ3 3.52Å; S806-W808 VanDerWaalsContact C-N 3.28Å; S806-W808 PolarHBondContact O-N 3.33Å; S806-W808 VanDerWaalsContact O-N 3.14Å; W808-R812 PolarHBondContact O-NH1 2.83Å; W808-R812 VanDerWaalsContact O-NH1 3.13Å
809I91.7Very high93.3Very high0 Ų049 Ų490%026%0.259CS..Hα-helixtrans-89.7-48.8171.6-62.1178.3000109V517 L774 I787 I805 S806 R807 S811 R812V517-I809 HydrophobicContact CB-CG2 4.4Å; V517-I809 HydrophobicContact CG1-CG2 3.5Å; V517-I809 HydrophobicContact CG2-CG2 4.05Å; L774-I809 HydrophobicContact CB-CD1 3.53Å; L774-I809 HydrophobicContact CD1-CD1 3.73Å; L774-I809 HydrophobicContact CG-CD1 4.29Å; I787-I809 HydrophobicContact CD1-CD1 4.45Å; I805-I809 HydrophobicContact CG2-CB 3.67Å; I805-I809 HydrophobicContact CG2-CD1 4.45Å; I805-I809 HydrophobicContact CG2-CG2 3.55Å; S806-I809 PolarHBondContact O-N 2.86Å; R807-I809 PolarHBondContact O-N 3.44Å; I809-S811 PolarHBondContact O-N 3.13Å; I809-R812 PolarHBondContact O-N 2.74Å
810R91.3Very high93.6Very high96 Ų9648.9 Ų48.936%0.36225%0.249SC..Hα-helixtrans-57.3-35.7-177.5-174.6175.671.9-155.62.4112.7M802 C803 I805 S806 R807 R812 V813M802-R810 HydrophobicContact CB-CG 4.47Å; M802-R810 HydrophobicContact CE-CB 4.21Å; M802-R810 HydrophobicContact CE-CG 4.03Å; M802-R810 VanDerWaalsContact O-CD 3.27Å; M802-R810 WeakPolarHBondContact O-CD 3.31Å; C803-R810 PolarHBondContact O-NH1 3.03Å; I805-R810 HydrophobicContact CG2-CB 4.48Å; S806-R810 PolarHBondContact O-N 3.4Å; R807-R810 PolarHBondContact O-N 2.81Å; R810-R812 PolarHBondContact O-N 3.39Å; R810-R812 VanDerWaalsContact O-N 3.14Å; R810-V813 WeakPolarHBondContact O-CG1 3.28Å
811S89.1Confident93.8Very high82 Ų8245.2 Ų45.257%0.57324%0.244SC*.THydrogen-bonded Turntrans-69.8-3.7178.967.60000114.5R807 I809R807-S811 WeakPolarHBondContact O-CB 3.38Å; R807-S811 PolarHBondContact O-N 3.37Å; R807-S811 PolarHBondContact O-OG 3.05Å; I809-S811 PolarHBondContact O-N 3.13Å
812R92Very high94.1Very high32 Ų3244.2 Ų44.212%0.12124%0.241CC..THydrogen-bonded Turntrans-127.27.7-175.7-62-177.5176.8128.5-12.4113.5I510 N512 V517 W808 I809 R810I510-R812 PolarHBondContact O-NH2 3.48Å; N512-R812 PolarHBondContact OD1-NE 2.97Å; N512-R812 PolarHBondContact OD1-NH2 2.95Å; V517-R812 HydrophobicContact CB-CB 4.46Å; V517-R812 HydrophobicContact CG2-CB 4.09Å; W808-R812 PolarHBondContact O-NH1 2.83Å; W808-R812 VanDerWaalsContact O-NH1 3.13Å; I809-R812 PolarHBondContact O-N 2.74Å; R810-R812 PolarHBondContact O-N 3.39Å; R810-R812 VanDerWaalsContact O-N 3.14Å
813V95.4Very high94.3Very high28 Ų2846.2 Ų46.217%0.1725%0.25CC..EExtended strand (participates in β ladder)trans-73.9131.2-172.472.90000111.5V517 T519 M802 R810V517-V813 HydrophobicContact CG1-CB 4.3Å; V517-V813 HydrophobicContact CG1-CG2 4.19Å; T519-V813 HydrophobicContact CG2-CG2 3.52Å; M802-V813 HydrophobicContact CE-CB 4.19Å; M802-V813 HydrophobicContact CE-CG1 4.14Å; M802-V813 HydrophobicContact CE-CG2 4.11Å; M802-V813 HydrophobicContact SD-CG2 4.34Å; R810-V813 WeakPolarHBondContact O-CG1 3.28Å
814N97.3Very high94.7Very high63 Ų6346.6 Ų46.634%0.33725%0.252SS..EExtended strand (participates in β ladder)trans-107.9129.8167.4-62.1-53.6000109.5V517 T518 T519 Q825V517-N814 PolarHBondContact O-N 2.78Å; T518-N814 CarbonylContact C-O 3.55Å; T518-N814 VanDerWaalsContact CA-O 3.32Å; T518-N814 WeakPolarHBondContact CA-O 3.39Å; T518-N814 HydrophobicContact CG2-CB 4.48Å; T519-N814 PolarHBondContact N-O 2.82Å; T519-N814 PolarHBondContact OG1-O 3.25Å; N814-Q825 PolarHBondContact ND2-NE2 3.1Å
815H98Very high95.1Very high79 Ų7949.5 Ų49.537%0.36627%0.265SS..EExtended strand (participates in β ladder)trans-95.1122.7-178.6-65.4-61.4000111T519 F794 V795 S798T519-H815 WeakPolarHBondContact OG1-CA 3.46Å; T519-H815 PolarHBondContact OG1-ND1 3.3Å; F794-H815 PolarHBondContact O-CE1 3.46Å; F794-H815 VanDerWaalsContact O-CE1 3.3Å; V795-H815 HydrophobicContact CG1-CB 4.37Å; V795-H815 HydrophobicContact CG2-CB 4.49Å; S798-H815 PolarHBondContact OG-CE1 2.93Å; S798-H815 PolarHBondContact OG-NE2 3.41Å; S798-H815 VanDerWaalsContact OG-NE2 3.09Å
816H98.4Very high95.3Very high10 Ų1049.5 Ų49.55%0.04627%0.265CS..EExtended strand (participates in β ladder)trans-116.5129.8178-60.9-89.2000112T519 L520 S521 S821 L822 Q825T519-H816 WeakPolarHBondContact O-CB 3.16Å; T519-H816 PolarHBondContact O-N 2.89Å; L520-H816 HydrophobicContact CD1-CB 4.18Å; S521-H816 PolarHBondContact N-O 3.32Å; S521-H816 VanDerWaalsContact N-O 3.11Å; S521-H816 PolarHBondContact OG-O 3.3Å; H816-S821 PolarHBondContact ND1-OG 3.46Å; H816-L822 HydrophobicContact CB-CB 4.05Å; H816-L822 PolarHBondContact ND1-N 3.22Å; H816-Q825 PolarHBondContact CE1-OE1 3.4Å; H816-Q825 PolarHBondContact NE2-OE1 3.11Å
817C97.5Very high95.7Very high84 Ų8453.6 Ų53.657%0.56828%0.284SS*.SBendtrans-91.3-9.8176.2-64.30000114S521 H522S521-C817 WeakPolarHBondContact OG-CA 3.33Å; H522-C817 WeakPolarHBondContact CB-O 3.34Å; H522-C817 PolarHBondContact ND1-O 3.24Å; H522-C817 VanDerWaalsContact ND1-O 3.12Å
818S97.7Very high96Very high50 Ų5051.4 Ų51.435%0.3529%0.289SS..SBendtrans-146.2154.7179630000110.8L822S818-L822 PolarHBondContact O-N 3.45Å
819W98.3Very high96.5Very high5 Ų552 Ų522%0.01929%0.291CS..Hα-helixtrans-60.7-45.1175.1175-99.5000112.3L520 H522 P524 V548 N551 A552 L555 S821 L822 E823L520-W819 HydrophobicContact CD2-CE3 3.9Å; L520-W819 HydrophobicContact CD2-CZ3 4.4Å; H522-W819 PolarHBondContact O-N 2.99Å; P524-W819 HydrophobicContact CB-CB 4.32Å; P524-W819 HydrophobicContact CB-CG 4.09Å; P524-W819 HydrophobicContact CG-CB 4.14Å; P524-W819 HydrophobicContact CG-CD2 3.94Å; P524-W819 HydrophobicContact CG-CE3 4.49Å; P524-W819 HydrophobicContact CG-CG 3.71Å; V548-W819 HydrophobicContact CG1-CE3 4.41Å; V548-W819 HydrophobicContact CG1-CZ3 3.95Å; V548-W819 HydrophobicContact CG2-CE3 4.42Å; N551-W819 HydrophobicContact CB-CH2 3.98Å; N551-W819 HydrophobicContact CB-CZ2 3.25Å; A552-W819 HydrophobicContact CB-CH2 3.89Å; L555-W819 HydrophobicContact CD1-CZ2 4.2Å; W819-S821 PolarHBondContact O-N 3.32Å; W819-S821 VanDerWaalsContact O-N 3.16Å; W819-L822 HydrophobicContact CE3-CD2 4.38Å; W819-L822 HydrophobicContact CH2-CD2 4.22Å; W819-L822 HydrophobicContact CZ3-CD2 3.9Å; W819-L822 CarbonylContact O-C 3.57Å; W819-L822 WeakPolarHBondContact O-CA 3.24Å; W819-L822 WeakPolarHBondContact O-CB 3.49Å; W819-L822 PolarHBondContact O-N 3.05Å; W819-E823 HydrophobicContact CZ2-CB 4.23Å; W819-E823 PolarHBondContact NE1-OE2 3.43Å; W819-E823 WeakPolarHBondContact O-CB 3.37Å; W819-E823 PolarHBondContact O-N 2.97Å
820D98.1Very high96.7Very high113 Ų11352.2 Ų52.260%0.60429%0.293SS*.Hα-helixtrans-55.3-39-176.7-58.8-19.4000113C824D820-C824 WeakPolarHBondContact O-CB 3.49Å; D820-C824 PolarHBondContact O-N 2.94Å
821S97.7Very high96.9Very high60 Ų6050 Ų5042%0.4230%0.295SS..Hα-helixtrans-67.6-41.5177.2175.90000112H816 W819 Q825H816-S821 PolarHBondContact ND1-OG 3.46Å; W819-S821 PolarHBondContact O-N 3.32Å; W819-S821 VanDerWaalsContact O-N 3.16Å; S821-Q825 PolarHBondContact O-N 3.32Å
822L98.5Very high97.2Very high0 Ų048.8 Ų48.80%029%0.286CS..Hα-helixtrans-68-45176.6-174.5157.2000110.5T518 L520 I788 H816 S818 W819 C824 Q825 L826T518-L822 HydrophobicContact CG2-CG 4.44Å; L520-L822 HydrophobicContact CB-CD1 3.9Å; L520-L822 HydrophobicContact CD1-CB 4.28Å; L520-L822 HydrophobicContact CD1-CD1 3.9Å; L520-L822 HydrophobicContact CD2-CD1 4.29Å; L520-L822 HydrophobicContact CG-CD1 4.25Å; I788-L822 HydrophobicContact CD1-CD2 4.04Å; I788-L822 HydrophobicContact CG1-CD1 4.39Å; I788-L822 HydrophobicContact CG1-CD2 4.46Å; I788-L822 HydrophobicContact CG2-CD1 4.21Å; H816-L822 HydrophobicContact CB-CB 4.05Å; H816-L822 PolarHBondContact ND1-N 3.22Å; S818-L822 PolarHBondContact O-N 3.45Å; W819-L822 HydrophobicContact CE3-CD2 4.38Å; W819-L822 HydrophobicContact CH2-CD2 4.22Å; W819-L822 HydrophobicContact CZ3-CD2 3.9Å; W819-L822 CarbonylContact O-C 3.57Å; W819-L822 WeakPolarHBondContact O-CA 3.24Å; W819-L822 WeakPolarHBondContact O-CB 3.49Å; W819-L822 PolarHBondContact O-N 3.05Å; L822-C824 PolarHBondContact O-N 3.18Å; L822-Q825 PolarHBondContact O-N 3.23Å; L822-L826 HydrophobicContact CD2-CB 4.19Å; L822-L826 HydrophobicContact CD2-CD2 4.05Å; L822-L826 VanDerWaalsContact O-CB 3.3Å; L822-L826 WeakPolarHBondContact O-CB 3.33Å; L822-L826 PolarHBondContact O-N 2.83Å
823E98.4Very high97.4Very high48 Ų4847.4 Ų47.422%0.22428%0.281CS..Hα-helixtrans-57.1-47.9179.6169.5158.9-151.800111.4L555 W819 Q825 L826 Q827L555-E823 HydrophobicContact CD1-CB 4.4Å; L555-E823 HydrophobicContact CD1-CG 3.85Å; W819-E823 HydrophobicContact CZ2-CB 4.23Å; W819-E823 PolarHBondContact NE1-OE2 3.43Å; W819-E823 WeakPolarHBondContact O-CB 3.37Å; W819-E823 PolarHBondContact O-N 2.97Å; E823-Q825 VanDerWaalsContact C-N 3.3Å; E823-Q825 PolarHBondContact O-N 3.34Å; E823-L826 PolarHBondContact O-N 3.25Å; E823-Q827 HydrophobicContact CG-CG 4.25Å; E823-Q827 VanDerWaalsContact CG-NE2 3.34Å; E823-Q827 VanDerWaalsContact O-CB 3.31Å; E823-Q827 WeakPolarHBondContact O-CB 3.33Å; E823-Q827 VanDerWaalsContact O-CG 3.27Å; E823-Q827 WeakPolarHBondContact O-CG 3.49Å; E823-Q827 PolarHBondContact O-N 3.18Å; E823-Q827 PolarHBondContact OE1-NE2 3.34Å
824C98.1Very high97.2Very high85 Ų8549.2 Ų49.257%0.57429%0.288SS*.Hα-helixtrans-57.5-43.4177.3-174.90000112.2D820 L822 S828D820-C824 WeakPolarHBondContact O-CB 3.49Å; D820-C824 PolarHBondContact O-N 2.94Å; L822-C824 PolarHBondContact O-N 3.18Å; C824-S828 PolarHBondContact O-N 3.11Å
825Q98.1Very high96.9Very high64 Ų6450.2 Ų50.230%0.29930%0.296SS..Hα-helixtrans-71.6-41.7179.6-171.2174.91500111.9L516 N814 H816 S821 L822 E823 S828 F829L516-Q825 HydrophobicContact CD1-CG 4.02Å; L516-Q825 HydrophobicContact CD2-CG 4.26Å; N814-Q825 PolarHBondContact ND2-NE2 3.1Å; H816-Q825 PolarHBondContact CE1-OE1 3.4Å; H816-Q825 PolarHBondContact NE2-OE1 3.11Å; S821-Q825 PolarHBondContact O-N 3.32Å; L822-Q825 PolarHBondContact O-N 3.23Å; E823-Q825 VanDerWaalsContact C-N 3.3Å; E823-Q825 PolarHBondContact O-N 3.34Å; Q825-S828 PolarHBondContact O-N 2.95Å; Q825-F829 WeakPolarHBondContact O-CB 3.41Å; Q825-F829 PolarHBondContact O-N 3.38Å
826L98.3Very high96.5Very high2 Ų250.4 Ų50.41%0.0130%0.298CS..Hα-helixtrans-64.2-44.7179.2-178.159.2000111.2L516 L555 V556 I788 L822 E823 F829 I830L516-L826 HydrophobicContact CD2-CB 4.44Å; L516-L826 HydrophobicContact CD2-CD1 4.04Å; L555-L826 HydrophobicContact CD1-CD2 4.04Å; L555-L826 HydrophobicContact CD1-CG 4.43Å; V556-L826 HydrophobicContact CG2-CD1 4.35Å; V556-L826 HydrophobicContact CG2-CD2 4.16Å; V556-L826 HydrophobicContact CG2-CG 4.49Å; I788-L826 HydrophobicContact CD1-CD2 4.23Å; L822-L826 HydrophobicContact CD2-CB 4.19Å; L822-L826 HydrophobicContact CD2-CD2 4.05Å; L822-L826 VanDerWaalsContact O-CB 3.3Å; L822-L826 WeakPolarHBondContact O-CB 3.33Å; L822-L826 PolarHBondContact O-N 2.83Å; E823-L826 PolarHBondContact O-N 3.25Å; L826-F829 PolarHBondContact O-N 3.19Å; L826-I830 HydrophobicContact CD1-CD1 3.71Å; L826-I830 HydrophobicContact CD1-CG1 4.2Å; L826-I830 HydrophobicContact CG-CD1 3.67Å; L826-I830 WeakPolarHBondContact O-CD1 3.49Å; L826-I830 VanDerWaalsContact O-CG1 3.23Å; L826-I830 WeakPolarHBondContact O-CG1 3.4Å; L826-I830 PolarHBondContact O-N 2.7Å
827Q97.9Very high96Very high87 Ų8752.6 Ų52.641%0.40731%0.308SS..Hα-helixtrans-57.7-49.6174-77.9176.31.500111.7L555 E823 F829 I830 A831L555-Q827 HydrophobicContact CD1-CG 4.04Å; L555-Q827 HydrophobicContact CD2-CG 3.67Å; L555-Q827 HydrophobicContact CG-CG 4.33Å; E823-Q827 HydrophobicContact CG-CG 4.25Å; E823-Q827 VanDerWaalsContact CG-NE2 3.34Å; E823-Q827 VanDerWaalsContact O-CB 3.31Å; E823-Q827 WeakPolarHBondContact O-CB 3.33Å; E823-Q827 VanDerWaalsContact O-CG 3.27Å; E823-Q827 WeakPolarHBondContact O-CG 3.49Å; E823-Q827 PolarHBondContact O-N 3.18Å; E823-Q827 PolarHBondContact OE1-NE2 3.34Å; Q827-F829 VanDerWaalsContact C-N 3.3Å; Q827-F829 PolarHBondContact O-N 2.76Å; Q827-I830 PolarHBondContact O-N 2.9Å; Q827-A831 VanDerWaalsContact O-CB 3.31Å; Q827-A831 WeakPolarHBondContact O-CB 3.29Å; Q827-A831 PolarHBondContact O-N 3.42Å
828S97.5Very high95.5Very high83 Ų8354.4 Ų54.458%0.5831%0.306SS*.Hα-helixtrans-60.2-41.1178.6-176.90000112.1C824 Q825 S832C824-S828 PolarHBondContact O-N 3.11Å; Q825-S828 PolarHBondContact O-N 2.95Å; S828-S832 PolarHBondContact O-N 2.92Å
829F97.7Very high95.1Very high20 Ų2055.7 Ų55.79%0.08831%0.311CS..Hα-helixtrans-66.6-43.1179172.9-96.5000112.1T513 L516 W784 G785 Q825 L826 Q827 S832 H833T513-F829 VanDerWaalsContact O-CE2 3.28Å; T513-F829 WeakPolarHBondContact O-CE2 3.35Å; L516-F829 HydrophobicContact CB-CD1 3.97Å; L516-F829 HydrophobicContact CB-CD2 3.71Å; L516-F829 HydrophobicContact CB-CE1 4.04Å; L516-F829 HydrophobicContact CB-CE2 3.76Å; L516-F829 HydrophobicContact CB-CG 3.81Å; L516-F829 HydrophobicContact CB-CZ 3.95Å; L516-F829 HydrophobicContact CD2-CB 3.77Å; L516-F829 HydrophobicContact CD2-CD1 4.13Å; L516-F829 HydrophobicContact CD2-CD2 4.49Å; L516-F829 HydrophobicContact CD2-CG 3.89Å; L516-F829 HydrophobicContact CG-CG 4.46Å; W784-F829 AromaticContact CE3-CE1 3.62Å; W784-F829 HydrophobicContact CE3-CE1 3.62Å; W784-F829 AromaticContact CE3-CZ 3.96Å; W784-F829 HydrophobicContact CE3-CZ 3.96Å; W784-F829 HydrophobicContact CZ3-CD1 4.48Å; W784-F829 AromaticContact CZ3-CE1 3.88Å; W784-F829 HydrophobicContact CZ3-CE1 3.88Å; G785-F829 VanDerWaalsContact O-CZ 3.24Å; G785-F829 WeakPolarHBondContact O-CZ 3.28Å; Q825-F829 WeakPolarHBondContact O-CB 3.41Å; Q825-F829 PolarHBondContact O-N 3.38Å; L826-F829 PolarHBondContact O-N 3.19Å; Q827-F829 VanDerWaalsContact C-N 3.3Å; Q827-F829 PolarHBondContact O-N 2.76Å; F829-S832 PolarHBondContact O-OG 2.89Å; F829-H833 AromaticContact CD2-CE1 3.57Å; F829-H833 AromaticContact CD2-ND1 3.87Å; F829-H833 AromaticContact CE2-CE1 3.26Å; F829-H833 WeakPolarHBondContact CE2-CE1 3.2Å; F829-H833 AromaticContact CE2-ND1 3.77Å; F829-H833 AromaticContact CZ-CE1 3.75Å; F829-H833 AromaticContact CZ-ND1 3.97Å; F829-H833 PolarHBondContact O-N 2.73Å; F829-H833 PolarHBondContact O-ND1 3.4Å
830I96.4Very high94.5Very high6 Ų660.1 Ų60.13%0.03133%0.332CS..Hα-helixtrans-68.3-47179.8-66.3158.7000110.2L555 V556 P557 L826 Q827 S832 H833 E834L555-I830 HydrophobicContact CB-CD1 4.05Å; L555-I830 WeakPolarHBondContact O-CD1 3.34Å; V556-I830 HydrophobicContact CB-CD1 4.22Å; V556-I830 HydrophobicContact CG2-CD1 3.64Å; P557-I830 HydrophobicContact CG-CG2 4.39Å; L826-I830 HydrophobicContact CD1-CD1 3.71Å; L826-I830 HydrophobicContact CD1-CG1 4.2Å; L826-I830 HydrophobicContact CG-CD1 3.67Å; L826-I830 WeakPolarHBondContact O-CD1 3.49Å; L826-I830 VanDerWaalsContact O-CG1 3.23Å; L826-I830 WeakPolarHBondContact O-CG1 3.4Å; L826-I830 PolarHBondContact O-N 2.7Å; Q827-I830 PolarHBondContact O-N 2.9Å; I830-S832 VanDerWaalsContact C-N 3.27Å; I830-S832 PolarHBondContact O-N 3.12Å; I830-H833 PolarHBondContact O-N 2.99Å; I830-H833 VanDerWaalsContact O-N 3.15Å; I830-E834 HydrophobicContact CG2-CG 4.1Å; I830-E834 PolarHBondContact O-N 3.23Å
831A95.5Very high93.7Very high50 Ų5058.7 Ų58.741%0.41332%0.321SS..Hα-helixtrans-58.8-37.8-179.400000112.4Q827 T835Q827-A831 VanDerWaalsContact O-CB 3.31Å; Q827-A831 WeakPolarHBondContact O-CB 3.29Å; Q827-A831 PolarHBondContact O-N 3.42Å; A831-T835 WeakPolarHBondContact O-CB 3.05Å; A831-T835 PolarHBondContact O-N 3.33Å; A831-T835 VanDerWaalsContact O-N 3.13Å; A831-T835 PolarHBondContact O-OG1 3.3Å
832S95.5Very high93.2Very high55 Ų5561.7 Ų61.739%0.38533%0.328SS..Hα-helixtrans-65.2-43.8177.168.30000112.2S828 F829 I830 T835 E836S828-S832 PolarHBondContact O-N 2.92Å; F829-S832 PolarHBondContact O-OG 2.89Å; I830-S832 VanDerWaalsContact C-N 3.27Å; I830-S832 PolarHBondContact O-N 3.12Å; S832-T835 WeakPolarHBondContact O-CB 3.07Å; S832-T835 PolarHBondContact O-N 3.35Å; S832-E836 PolarHBondContact O-N 3.29Å
833H94.5Very high92.7Very high4 Ų465.9 Ų65.92%0.01935%0.354CS..Hα-helixtrans-77.2-35.3-177.4-68.184.6000113T513 R514 W784 F829 I830 T835 E836 E837T513-H833 PolarHBondContact O-CE1 3.27Å; T513-H833 PolarHBondContact O-NE2 3.01Å; R514-H833 WeakPolarHBondContact CA-NE2 3.46Å; W784-H833 AromaticContact CD1-CD2 3.98Å; W784-H833 HydrophobicContact CD2-CB 3.61Å; W784-H833 AromaticContact CD2-CD2 3.94Å; W784-H833 AromaticContact CD2-CG 3.75Å; W784-H833 HydrophobicContact CE3-CB 3.94Å; W784-H833 AromaticContact CE3-CG 3.98Å; W784-H833 HydrophobicContact CG-CB 4.07Å; W784-H833 AromaticContact CG-CD2 3.57Å; W784-H833 AromaticContact CG-CG 3.9Å; W784-H833 HydrophobicContact CH2-CB 4.14Å; W784-H833 HydrophobicContact CZ2-CB 3.82Å; W784-H833 HydrophobicContact CZ3-CB 4.2Å; F829-H833 AromaticContact CD2-CE1 3.57Å; F829-H833 AromaticContact CD2-ND1 3.87Å; F829-H833 AromaticContact CE2-CE1 3.26Å; F829-H833 WeakPolarHBondContact CE2-CE1 3.2Å; F829-H833 AromaticContact CE2-ND1 3.77Å; F829-H833 AromaticContact CZ-CE1 3.75Å; F829-H833 AromaticContact CZ-ND1 3.97Å; F829-H833 PolarHBondContact O-N 2.73Å; F829-H833 PolarHBondContact O-ND1 3.4Å; I830-H833 PolarHBondContact O-N 2.99Å; I830-H833 VanDerWaalsContact O-N 3.15Å; H833-T835 PolarHBondContact O-N 2.94Å; H833-E836 IonicContact CD2-OE2 3.57Å; H833-E836 PolarHBondContact O-N 3.31Å; H833-E837 WeakPolarHBondContact O-CB 3.28Å; H833-E837 WeakPolarHBondContact O-CG 3.49Å; H833-E837 PolarHBondContact O-N 3.29Å
834E91.1Very high92Very high66 Ų6668.5 Ų68.531%0.30837%0.366SS..Hα-helixtrans-62.3-33.8170.3-73.3-168.5156.800111.6P557 I830 K838P557-E834 WeakPolarHBondContact CG-OE1 3.4Å; I830-E834 HydrophobicContact CG2-CG 4.1Å; I830-E834 PolarHBondContact O-N 3.23Å; E834-K838 WeakPolarHBondContact O-CB 3.1Å; E834-K838 WeakPolarHBondContact O-CD 3.21Å; E834-K838 WeakPolarHBondContact O-CG 3.42Å; E834-K838 PolarHBondContact O-N 2.7Å; E834-K838 VanDerWaalsContact O-N 3.13Å
835T92.3Very high91.4Very high84 Ų8467.9 Ų67.952%0.51536%0.357SS..Hα-helixtrans-69.8-45.2174.9-57.40000110.8A831 S832 H833 K838 V839A831-T835 WeakPolarHBondContact O-CB 3.05Å; A831-T835 PolarHBondContact O-N 3.33Å; A831-T835 VanDerWaalsContact O-N 3.13Å; A831-T835 PolarHBondContact O-OG1 3.3Å; S832-T835 WeakPolarHBondContact O-CB 3.07Å; S832-T835 PolarHBondContact O-N 3.35Å; H833-T835 PolarHBondContact O-N 2.94Å; T835-K838 PolarHBondContact O-N 3.34Å; T835-V839 WeakPolarHBondContact O-CG2 3.43Å; T835-V839 PolarHBondContact O-N 2.92Å; T835-V839 VanDerWaalsContact O-N 3.08Å
836E90.1Very high90.9Very high83 Ų8369 Ų6939%0.38836%0.364SS..Hα-helixtrans-58-48.6173.5-77.6-175.3172.400111.9R514 S832 H833 K838 V839 E840R514-E836 IonicContact NH2-OE2 3.35Å; S832-E836 PolarHBondContact O-N 3.29Å; H833-E836 IonicContact CD2-OE2 3.57Å; H833-E836 PolarHBondContact O-N 3.31Å; E836-K838 VanDerWaalsContact C-N 3.29Å; E836-K838 PolarHBondContact O-N 2.99Å; E836-V839 PolarHBondContact O-N 2.96Å; E836-V839 VanDerWaalsContact O-N 3.09Å; E836-E840 WeakPolarHBondContact O-CG 3.49Å; E836-E840 PolarHBondContact O-N 2.94Å
837E87.5Confident90.3Very high55 Ų5571.7 Ų71.726%0.25739%0.387SS..Hα-helixtrans-60.1-37.7178.7-76.4-174.817200112.3R677 W784 H833 K841R677-E837 IonicContact CZ-OE1 3.6Å; R677-E837 IonicContact NE-OE1 3.58Å; R677-E837 IonicContact NH2-OE1 2.64Å; R677-E837 PolarHBondContact NH2-OE1 3.45Å; W784-E837 PolarHBondContact NE1-OE1 3.18Å; H833-E837 WeakPolarHBondContact O-CB 3.28Å; H833-E837 WeakPolarHBondContact O-CG 3.49Å; H833-E837 PolarHBondContact O-N 3.29Å; E837-K841 WeakPolarHBondContact O-CB 3.18Å; E837-K841 PolarHBondContact O-N 2.96Å
838K87Confident89.8Confident122 Ų12274.6 Ų74.653%0.5340%0.401SS..Hα-helixtrans-64.8-41.6174.9-76.1168.1-172.2166.60111.8E834 T835 E836 Q842E834-K838 WeakPolarHBondContact O-CB 3.1Å; E834-K838 WeakPolarHBondContact O-CD 3.21Å; E834-K838 WeakPolarHBondContact O-CG 3.42Å; E834-K838 PolarHBondContact O-N 2.7Å; E834-K838 VanDerWaalsContact O-N 3.13Å; T835-K838 PolarHBondContact O-N 3.34Å; E836-K838 VanDerWaalsContact C-N 3.29Å; E836-K838 PolarHBondContact O-N 2.99Å; K838-Q842 WeakPolarHBondContact O-CG 3.34Å; K838-Q842 PolarHBondContact O-N 2.87Å
839V88.7Confident89.3Confident77 Ų7776.8 Ų76.847%0.46740%0.404SS..Hα-helixtrans-70.2-46.7178.8173.50000111T835 E836 K841 Q842 V843T835-V839 WeakPolarHBondContact O-CG2 3.43Å; T835-V839 PolarHBondContact O-N 2.92Å; T835-V839 VanDerWaalsContact O-N 3.08Å; E836-V839 PolarHBondContact O-N 2.96Å; E836-V839 VanDerWaalsContact O-N 3.09Å; V839-K841 PolarHBondContact O-N 3.4Å; V839-Q842 PolarHBondContact O-N 3.06Å; V839-Q842 VanDerWaalsContact O-N 3.12Å; V839-V843 WeakPolarHBondContact O-CG2 3.4Å; V839-V843 PolarHBondContact O-N 2.8Å
840E86.4Confident88.7Confident99 Ų9984.1 Ų84.146%0.46344%0.436SS..Hα-helixtrans-55.2-42.5176.2-74.5-179177.900110.8R514 E836 V843 E844R514-E840 IonicContact NH2-OE1 2.65Å; E836-E840 WeakPolarHBondContact O-CG 3.49Å; E836-E840 PolarHBondContact O-N 2.94Å; E840-V843 PolarHBondContact O-N 3.18Å; E840-E844 PolarHBondContact O-N 3.41Å
841K81.3Confident88Confident83 Ų8390.2 Ų90.236%0.36149%0.488SS..Hα-helixtrans-64.4-46174.8-174-179.3179.8-178.20113.1N619 E837 V839 V843 E844 D845N619-K841 PolarHBondContact OD1-NZ 3.37Å; E837-K841 WeakPolarHBondContact O-CB 3.18Å; E837-K841 PolarHBondContact O-N 2.96Å; V839-K841 PolarHBondContact O-N 3.4Å; K841-V843 PolarHBondContact O-N 3.49Å; K841-E844 PolarHBondContact O-N 3.32Å; K841-E844 VanDerWaalsContact O-N 3.1Å; K841-D845 WeakPolarHBondContact O-CB 3.38Å; K841-D845 VanDerWaalsContact O-CG 3.31Å; K841-D845 PolarHBondContact O-N 2.73Å
842Q87Confident87.6Confident122 Ų12292.3 Ų92.357%0.5749%0.492SS*.Hα-helixtrans-58.7-35.5176.7-75.4175.2-500111.7K838 V839 L846K838-Q842 WeakPolarHBondContact O-CG 3.34Å; K838-Q842 PolarHBondContact O-N 2.87Å; V839-Q842 PolarHBondContact O-N 3.06Å; V839-Q842 VanDerWaalsContact O-N 3.12Å; Q842-L846 VanDerWaalsContact O-CB 3.32Å; Q842-L846 WeakPolarHBondContact O-CB 3.04Å; Q842-L846 WeakPolarHBondContact O-CD1 3.46Å; Q842-L846 WeakPolarHBondContact O-CG 3.28Å; Q842-L846 PolarHBondContact O-N 3.06Å
843V86.7Confident87.2Confident89 Ų8994.2 Ų94.254%0.53950%0.497SS..Hα-helixtrans-69.7-42.5174.4175.60000111.5V839 E840 K841 L846 A847V839-V843 WeakPolarHBondContact O-CG2 3.4Å; V839-V843 PolarHBondContact O-N 2.8Å; E840-V843 PolarHBondContact O-N 3.18Å; K841-V843 PolarHBondContact O-N 3.49Å; V843-L846 PolarHBondContact O-N 3.32Å; V843-A847 WeakPolarHBondContact O-CB 3.23Å; V843-A847 PolarHBondContact O-N 3.14Å
844E84.6Confident86.8Confident102 Ų10299.2 Ų99.248%0.47752%0.524SS..Hα-helixtrans-60.6-48.4173.6-75.3-170.3179.100111.8K621 E840 K841 L846 A847 E848K621-E844 IonicContact NZ-OE2 3.59Å; K621-E844 PolarHBondContact NZ-OE2 2.91Å; E840-E844 PolarHBondContact O-N 3.41Å; K841-E844 PolarHBondContact O-N 3.32Å; K841-E844 VanDerWaalsContact O-N 3.1Å; E844-L846 VanDerWaalsContact C-N 3.32Å; E844-L846 PolarHBondContact O-N 3.32Å; E844-A847 PolarHBondContact O-N 3.45Å; E844-A847 VanDerWaalsContact O-N 3.15Å; E844-E848 PolarHBondContact O-N 2.9Å
845D85.9Confident86.5Confident72 Ų72101.2 Ų101.239%0.38554%0.537SS..Hα-helixtrans-61.8-40.9179.7-67.7-15.7000110.7K841 E848 I849K841-D845 WeakPolarHBondContact O-CB 3.38Å; K841-D845 VanDerWaalsContact O-CG 3.31Å; K841-D845 PolarHBondContact O-N 2.73Å; D845-E848 PolarHBondContact O-N 3.35Å; D845-I849 WeakPolarHBondContact O-CD1 3.3Å; D845-I849 VanDerWaalsContact O-CG1 3.26Å; D845-I849 WeakPolarHBondContact O-CG1 3.16Å; D845-I849 PolarHBondContact O-N 3.11Å
846L87.5Confident86.2Confident88 Ų88102.3 Ų102.346%0.46154%0.538SS..Hα-helixtrans-65.5-43.2173.6-75.7169.3000111.8Q842 V843 E844 E848 I849 F850Q842-L846 VanDerWaalsContact O-CB 3.32Å; Q842-L846 WeakPolarHBondContact O-CB 3.04Å; Q842-L846 WeakPolarHBondContact O-CD1 3.46Å; Q842-L846 WeakPolarHBondContact O-CG 3.28Å; Q842-L846 PolarHBondContact O-N 3.06Å; V843-L846 PolarHBondContact O-N 3.32Å; E844-L846 VanDerWaalsContact C-N 3.32Å; E844-L846 PolarHBondContact O-N 3.32Å; L846-E848 VanDerWaalsContact C-N 3.28Å; L846-E848 PolarHBondContact O-N 3.18Å; L846-I849 PolarHBondContact O-N 3.01Å; L846-F850 HydrophobicContact CB-CD2 4.44Å; L846-F850 HydrophobicContact CB-CE2 4.41Å; L846-F850 HydrophobicContact CD2-CE2 4.36Å; L846-F850 WeakPolarHBondContact O-CD2 3.41Å; L846-F850 PolarHBondContact O-N 3.02Å
847A86.1Confident85.9Confident58 Ų58103.5 Ų103.548%0.47955%0.548SS..Hα-helixtrans-62.9-35.6177.900000112V843 E844 F850 A851V843-A847 WeakPolarHBondContact O-CB 3.23Å; V843-A847 PolarHBondContact O-N 3.14Å; E844-A847 PolarHBondContact O-N 3.45Å; E844-A847 VanDerWaalsContact O-N 3.15Å; A847-F850 PolarHBondContact O-N 3.48Å; A847-A851 VanDerWaalsContact O-CB 3.29Å; A847-A851 WeakPolarHBondContact O-CB 3.32Å; A847-A851 PolarHBondContact O-N 3.18Å
848E86.6Confident85.8Confident149 Ų149107 Ų10770%0.69657%0.569SS**Hα-helixtrans-70.7-32.1174-168.1172.8-169.100112.4E844 D845 L846E844-E848 PolarHBondContact O-N 2.9Å; D845-E848 PolarHBondContact O-N 3.35Å; L846-E848 VanDerWaalsContact C-N 3.28Å; L846-E848 PolarHBondContact O-N 3.18Å
849I86Confident85.7Confident129 Ų129105.8 Ų105.866%0.66257%0.572SS**Hα-helixtrans-70.6-33.8172.4-68.8162.6000111.9D845 L846D845-I849 WeakPolarHBondContact O-CD1 3.3Å; D845-I849 VanDerWaalsContact O-CG1 3.26Å; D845-I849 WeakPolarHBondContact O-CG1 3.16Å; D845-I849 PolarHBondContact O-N 3.11Å; L846-I849 PolarHBondContact O-N 3.01Å
850F86.3Confident85.5Confident173 Ų173108.3 Ų108.376%0.75958%0.581SS**Hα-helixtrans-85.3-20.6-179.8-76.2-63.9000114.3L846 A847L846-F850 HydrophobicContact CB-CD2 4.44Å; L846-F850 HydrophobicContact CB-CE2 4.41Å; L846-F850 HydrophobicContact CD2-CE2 4.36Å; L846-F850 WeakPolarHBondContact O-CD2 3.41Å; L846-F850 PolarHBondContact O-N 3.02Å; A847-F850 PolarHBondContact O-N 3.48Å
851A81.1Confident85.4Confident135 Ų135109.1 Ų109.1100%1.11659%0.591SS**  trans-79.60173.900000111.1A847A847-A851 VanDerWaalsContact O-CB 3.29Å; A847-A851 WeakPolarHBondContact O-CB 3.32Å; A847-A851 PolarHBondContact O-N 3.18Å

Retrieved 851 of 851 residues in 611.6 ms (Link to these results)

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