A0A077ZBF5_TRITR Loading...

Related to origin recognition complex subunit 3

AlphaFold DB , UniProt , Accession A0A077ZBF5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 497 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
1M87.1Confident92.8Very high9 Ų934 Ų344%0.04420%0.198CC..  0124.20175.8171.565.800109.2F3 V129 L130 T133 M154 Q333 L334 I335 D336M1-F3 HydrophobicContact CE-CE2 3.45Å; M1-F3 VanDerWaalsContact CE-CE2 3.45Å; M1-F3 HydrophobicContact CE-CZ 3.83Å; M1-F3 HydrophobicContact CG-CE2 4.19Å; M1-F3 HydrophobicContact SD-CE2 3.88Å; M1-F3 HydrophobicContact SD-CZ 3.93Å; M1-V129 HydrophobicContact CG-CG1 3.54Å; M1-V129 HydrophobicContact SD-CG1 4.14Å; M1-L130 HydrophobicContact SD-CD2 4.07Å; M1-T133 HydrophobicContact CB-CG2 3.68Å; M1-T133 HydrophobicContact CE-CG2 4.31Å; M1-T133 HydrophobicContact CG-CG2 4.46Å; M1-T133 HydrophobicContact SD-CG2 4.18Å; M1-M154 HydrophobicContact CE-CB 4.41Å; M1-M154 HydrophobicContact CE-CG 3.93Å; M1-M154 HydrophobicContact CE-SD 4.07Å; M1-Q333 HydrophobicContact CB-CB 4.43Å; M1-L334 PolarHBondContact N-O 3.04Å; M1-I335 HydrophobicContact CE-CB 4.14Å; M1-I335 HydrophobicContact CE-CD1 3.97Å; M1-I335 HydrophobicContact CE-CG1 3.54Å; M1-I335 HydrophobicContact CE-CG2 3.67Å; M1-D336 PolarHBondContact O-N 3.5Å
2N89.9Confident93Very high27 Ų2734.9 Ų34.914%0.14420%0.202CC..BIsolated β-bridgetrans-123.3108.8-172.5178.927.5000111.9R4 D5 R340N2-R4 PolarHBondContact O-N 2.89Å; N2-R4 WeakPolarHBondContact OD1-CB 3.49Å; N2-R4 WeakPolarHBondContact OD1-CG 3.24Å; N2-R4 PolarHBondContact OD1-N 2.81Å; N2-R4 VanDerWaalsContact OD1-N 3.14Å; N2-D5 PolarHBondContact ND2-OD1 3.27Å; N2-D5 WeakPolarHBondContact O-CB 3.41Å; N2-D5 PolarHBondContact O-N 2.78Å; N2-D5 VanDerWaalsContact O-N 3.16Å; N2-R340 PolarHBondContact ND2-NH2 3.24Å; N2-R340 PolarHBondContact OD1-NH2 3.48Å; N2-R340 VanDerWaalsContact OD1-NH2 3.07Å
3F94.4Very high93.2Very high1 Ų135.3 Ų35.30%0.00420%0.198CC..G310 helixtrans-75.9-2.2177-71.5-89.6000114.1M1 D5 I6 F91 I94 L130 M154 I335 D336 I337M1-F3 HydrophobicContact CE-CE2 3.45Å; M1-F3 VanDerWaalsContact CE-CE2 3.45Å; M1-F3 HydrophobicContact CE-CZ 3.83Å; M1-F3 HydrophobicContact CG-CE2 4.19Å; M1-F3 HydrophobicContact SD-CE2 3.88Å; M1-F3 HydrophobicContact SD-CZ 3.93Å; F3-D5 PolarHBondContact O-N 3.43Å; F3-I6 HydrophobicContact CB-CD1 4.46Å; F3-I6 HydrophobicContact CB-CG1 4.21Å; F3-I6 HydrophobicContact CD1-CD1 3.89Å; F3-I6 HydrophobicContact CD1-CG1 4.15Å; F3-I6 HydrophobicContact CD1-CG2 4.43Å; F3-I6 WeakPolarHBondContact O-CG1 3.49Å; F3-I6 PolarHBondContact O-N 3.28Å; F3-F91 HydrophobicContact CB-CE1 3.76Å; F3-F91 HydrophobicContact CB-CZ 3.75Å; F3-F91 HydrophobicContact CD1-CE1 4.21Å; F3-F91 HydrophobicContact CG-CE1 4.17Å; F3-I94 HydrophobicContact CD1-CD1 3.4Å; F3-I94 HydrophobicContact CE1-CD1 3.35Å; F3-I94 HydrophobicContact CE1-CG1 4.26Å; F3-I94 HydrophobicContact CZ-CD1 4.5Å; F3-L130 HydrophobicContact CE1-CD2 4.26Å; F3-L130 HydrophobicContact CZ-CD2 3.9Å; F3-M154 HydrophobicContact CE2-CG 3.88Å; F3-M154 HydrophobicContact CE2-SD 4.21Å; F3-M154 HydrophobicContact CZ-CG 3.84Å; F3-M154 HydrophobicContact CZ-SD 3.59Å; F3-M154 VanDerWaalsContact CZ-SD 3.59Å; F3-I335 HydrophobicContact CE2-CG2 4.4Å; F3-D336 WeakPolarHBondContact CD2-O 3.45Å; F3-D336 PolarHBondContact N-O 3.34Å; F3-I337 CarbonylContact C-O 3.54Å; F3-I337 HydrophobicContact CB-CG2 4.5Å; F3-I337 WeakPolarHBondContact CB-O 3.42Å; F3-I337 HydrophobicContact CD2-CD1 3.48Å; F3-I337 VanDerWaalsContact CD2-CD1 3.48Å; F3-I337 HydrophobicContact CE2-CD1 3.65Å; F3-I337 HydrophobicContact CG-CD1 4.31Å
4R94.2Very high93.3Very high28 Ų2834 Ų3411%0.10619%0.189CC..G310 helixtrans-62.7-28.8164.1-62.7-179176.9-140.4-0.7111.7N2 I6 L7 L12 E19 I337 L338N2-R4 PolarHBondContact O-N 2.89Å; N2-R4 WeakPolarHBondContact OD1-CB 3.49Å; N2-R4 WeakPolarHBondContact OD1-CG 3.24Å; N2-R4 PolarHBondContact OD1-N 2.81Å; N2-R4 VanDerWaalsContact OD1-N 3.14Å; R4-I6 PolarHBondContact O-N 3.41Å; R4-L7 WeakPolarHBondContact O-CB 3.29Å; R4-L7 PolarHBondContact O-N 3.08Å; R4-L12 HydrophobicContact CB-CD1 4.01Å; R4-E19 IonicContact CZ-OE1 3.27Å; R4-E19 VanDerWaalsContact CZ-OE1 3.25Å; R4-E19 IonicContact CZ-OE2 3.55Å; R4-E19 IonicContact NH1-OE1 2.82Å; R4-E19 PolarHBondContact NH1-OE1 3.24Å; R4-E19 IonicContact NH1-OE2 3.3Å; R4-E19 PolarHBondContact NH1-OE2 3.05Å; R4-E19 IonicContact NH2-OE1 3.99Å; R4-E19 PolarHBondContact NH2-OE1 2.73Å; R4-E19 IonicContact NH2-OE2 2.69Å; R4-I337 PolarHBondContact N-O 3.13Å; R4-L338 HydrophobicContact CG-CD2 3.82Å; R4-L338 PolarHBondContact NE-O 3.42Å; R4-L338 PolarHBondContact NH2-O 2.9Å
5D94Very high93.4Very high77 Ų7731.9 Ų31.941%0.41218%0.177SC..G310 helixtrans-68.2-22-177.6-60.5-7.5000112.7N2 F3 V129 K132N2-D5 PolarHBondContact ND2-OD1 3.27Å; N2-D5 WeakPolarHBondContact O-CB 3.41Å; N2-D5 PolarHBondContact O-N 2.78Å; N2-D5 VanDerWaalsContact O-N 3.16Å; F3-D5 PolarHBondContact O-N 3.43Å; D5-V129 HydrophobicContact CB-CG2 3.79Å; D5-K132 IonicContact OD2-NZ 2.73Å; D5-K132 PolarHBondContact OD2-NZ 2.84Å
6I96Very high93.5Very high0 Ų037.2 Ų37.20%019%0.194CC..G310 helixtrans-80.9-25.2177.360150.9000112.4F3 R4 E90 F91 I94 I126 V129F3-I6 HydrophobicContact CB-CD1 4.46Å; F3-I6 HydrophobicContact CB-CG1 4.21Å; F3-I6 HydrophobicContact CD1-CD1 3.89Å; F3-I6 HydrophobicContact CD1-CG1 4.15Å; F3-I6 HydrophobicContact CD1-CG2 4.43Å; F3-I6 WeakPolarHBondContact O-CG1 3.49Å; F3-I6 PolarHBondContact O-N 3.28Å; R4-I6 PolarHBondContact O-N 3.41Å; I6-E90 HydrophobicContact CB-CB 4.44Å; I6-E90 HydrophobicContact CD1-CB 3.7Å; I6-E90 HydrophobicContact CG1-CB 4.36Å; I6-E90 WeakPolarHBondContact O-CG 3.48Å; I6-F91 HydrophobicContact CD1-CD1 4.08Å; I6-F91 HydrophobicContact CD1-CD2 4.5Å; I6-F91 HydrophobicContact CD1-CE1 3.91Å; I6-F91 HydrophobicContact CD1-CE2 4.35Å; I6-F91 HydrophobicContact CD1-CG 4.37Å; I6-F91 HydrophobicContact CD1-CZ 4.06Å; I6-F91 HydrophobicContact CG1-CZ 4.49Å; I6-I94 HydrophobicContact CD1-CD1 3.36Å; I6-I126 HydrophobicContact CB-CG1 4.35Å; I6-I126 HydrophobicContact CD1-CG1 4.35Å; I6-I126 HydrophobicContact CG2-CB 4.48Å; I6-I126 HydrophobicContact CG2-CG1 4.02Å; I6-V129 HydrophobicContact CG2-CB 4.03Å; I6-V129 HydrophobicContact CG2-CG2 3.7Å
7L95.3Very high93.7Very high5 Ų535 Ų353%0.02618%0.182CC..SBendtrans-58.5145-173.4-75.7177.2000111.7R4 N11 L12 L15 T84 F91 L338R4-L7 WeakPolarHBondContact O-CB 3.29Å; R4-L7 PolarHBondContact O-N 3.08Å; L7-N11 HydrophobicContact CD2-CB 4.36Å; L7-L12 HydrophobicContact CB-CB 4Å; L7-L12 HydrophobicContact CD1-CB 4.42Å; L7-L12 HydrophobicContact CD1-CD1 4.21Å; L7-L15 HydrophobicContact CD1-CD2 4.09Å; L7-T84 HydrophobicContact CD1-CG2 4.37Å; L7-T84 HydrophobicContact CD2-CG2 4.22Å; L7-F91 HydrophobicContact CD2-CD2 4.09Å; L7-F91 HydrophobicContact CD2-CE2 3.72Å; L7-F91 HydrophobicContact CG-CE2 4.22Å; L7-L338 HydrophobicContact CD1-CD2 3.68Å; L7-L338 HydrophobicContact CG-CD2 4.35Å
8G92.3Very high93.7Very high16 Ų1633.1 Ų33.117%0.16517%0.173CC..  trans-58.5143.5165.900000110.6S10 N11 L12G8-S10 PolarHBondContact O-N 3.48Å; G8-N11 PolarHBondContact O-N 3.46Å; G8-L12 PolarHBondContact O-N 3.48Å
9V91.9Very high93.7Very high109 Ų10932.8 Ų32.866%0.66117%0.17SC*.Hα-helixtrans-50.9-38.9-177.4-179.20000112R13V9-R13 WeakPolarHBondContact O-CB 3.23Å; V9-R13 PolarHBondContact O-N 2.88Å; V9-R13 VanDerWaalsContact O-N 3.1Å
10S92.1Very high93.7Very high46 Ų4633.3 Ų33.332%0.32217%0.173SC..Hα-helixtrans-65.7-50.3176.7-162.80000112.5G8 L12 R13 H14G8-S10 PolarHBondContact O-N 3.48Å; S10-L12 VanDerWaalsContact C-N 3.34Å; S10-L12 PolarHBondContact O-N 3.24Å; S10-R13 PolarHBondContact O-N 3.07Å; S10-H14 PolarHBondContact O-CD2 2.93Å; S10-H14 VanDerWaalsContact O-CD2 3.29Å; S10-H14 PolarHBondContact O-N 3.5Å; S10-H14 PolarHBondContact O-ND1 3.39Å; S10-H14 PolarHBondContact OG-CE1 2.89Å; S10-H14 PolarHBondContact OG-NE2 3.19Å
11N93.2Very high93.8Very high56 Ų5631.7 Ų31.730%0.29917%0.165SC..Hα-helixtrans-65.9-39.2-177.6-68.71.9000111.3L7 G8 R13 H14 L15L7-N11 HydrophobicContact CD2-CB 4.36Å; G8-N11 PolarHBondContact O-N 3.46Å; N11-R13 VanDerWaalsContact C-N 3.33Å; N11-R13 PolarHBondContact O-N 3.44Å; N11-H14 PolarHBondContact O-N 3.16Å; N11-L15 WeakPolarHBondContact O-CB 3.27Å; N11-L15 PolarHBondContact O-N 3.22Å
12L94.8Very high94Very high45 Ų4535.1 Ų35.124%0.23618%0.177CC..Hα-helixtrans-61.5-42.8174.7-179.559.5000111.4R4 L7 G8 S10 L15 R16R4-L12 HydrophobicContact CB-CD1 4.01Å; L7-L12 HydrophobicContact CB-CB 4Å; L7-L12 HydrophobicContact CD1-CB 4.42Å; L7-L12 HydrophobicContact CD1-CD1 4.21Å; G8-L12 PolarHBondContact O-N 3.48Å; S10-L12 VanDerWaalsContact C-N 3.34Å; S10-L12 PolarHBondContact O-N 3.24Å; L12-L15 PolarHBondContact O-N 3.33Å; L12-R16 WeakPolarHBondContact O-CB 3.45Å; L12-R16 WeakPolarHBondContact O-CG 3.34Å; L12-R16 PolarHBondContact O-N 2.89Å
13R95.7Very high93.9Very high40 Ų4037.9 Ų37.915%0.15120%0.204CC..Hα-helixtrans-68.4-37.8177.5-16617258.9-102.9-12.9112.2V9 S10 N11 R16 L17 L37 V43 D47V9-R13 WeakPolarHBondContact O-CB 3.23Å; V9-R13 PolarHBondContact O-N 2.88Å; V9-R13 VanDerWaalsContact O-N 3.1Å; S10-R13 PolarHBondContact O-N 3.07Å; N11-R13 VanDerWaalsContact C-N 3.33Å; N11-R13 PolarHBondContact O-N 3.44Å; R13-R16 PolarHBondContact O-N 2.69Å; R13-L17 WeakPolarHBondContact O-CB 3.28Å; R13-L17 PolarHBondContact O-N 3.41Å; R13-L37 HydrophobicContact CG-CB 4.07Å; R13-L37 HydrophobicContact CG-CD1 4.44Å; R13-L37 HydrophobicContact CG-CD2 4.06Å; R13-L37 HydrophobicContact CG-CG 4.43Å; R13-V43 VanDerWaalsContact NH2-CG1 3.26Å; R13-D47 IonicContact CZ-OD2 3.84Å; R13-D47 IonicContact NE-OD2 2.98Å; R13-D47 PolarHBondContact NE-OD2 3.28Å; R13-D47 IonicContact NH2-OD1 3.45Å; R13-D47 PolarHBondContact NH2-OD1 2.98Å; R13-D47 IonicContact NH2-OD2 2.62Å; R13-D47 PolarHBondContact NH2-OD2 3.33Å
14H95Very high93.7Very high17 Ų1739.9 Ų39.98%0.07922%0.218CC..Hα-helixtrans-62.6-46.3174.1-62.2161.7000111.9S10 N11 L17 V18 D47 L50 I51S10-H14 PolarHBondContact O-CD2 2.93Å; S10-H14 VanDerWaalsContact O-CD2 3.29Å; S10-H14 PolarHBondContact O-N 3.5Å; S10-H14 PolarHBondContact O-ND1 3.39Å; S10-H14 PolarHBondContact OG-CE1 2.89Å; S10-H14 PolarHBondContact OG-NE2 3.19Å; N11-H14 PolarHBondContact O-N 3.16Å; H14-L17 PolarHBondContact O-N 2.95Å; H14-V18 WeakPolarHBondContact O-CG2 3.19Å; H14-V18 PolarHBondContact O-N 3.31Å; H14-D47 IonicContact CD2-OD1 2.83Å; H14-D47 PolarHBondContact CD2-OD1 3.23Å; H14-D47 IonicContact CD2-OD2 3.52Å; H14-D47 IonicContact CE1-OD1 3.18Å; H14-D47 IonicContact NE2-OD1 2.84Å; H14-D47 PolarHBondContact NE2-OD1 2.96Å; H14-D47 IonicContact NE2-OD2 3.88Å; H14-L50 WeakPolarHBondContact CE1-CD2 3.41Å; H14-I51 HydrophobicContact CB-CD1 4.02Å; H14-I51 HydrophobicContact CB-CG1 4.12Å
15L94.6Very high93.2Very high2 Ų244.3 Ų44.31%0.0124%0.235CC..Hα-helixtrans-56.6-53.6175.4-178.664.6000110.3L7 N11 L12 L17 V18 E19 L80 Y81 L338L7-L15 HydrophobicContact CD1-CD2 4.09Å; N11-L15 WeakPolarHBondContact O-CB 3.27Å; N11-L15 PolarHBondContact O-N 3.22Å; L12-L15 PolarHBondContact O-N 3.33Å; L15-L17 PolarHBondContact O-N 3.02Å; L15-V18 PolarHBondContact O-N 3.45Å; L15-E19 VanDerWaalsContact O-CG 3.31Å; L15-E19 WeakPolarHBondContact O-CG 3.43Å; L15-E19 PolarHBondContact O-N 3.26Å; L15-L80 HydrophobicContact CD1-CD2 3.69Å; L15-L80 HydrophobicContact CD1-CG 3.84Å; L15-Y81 HydrophobicContact CD1-CD1 3.77Å; L15-Y81 HydrophobicContact CD1-CE1 3.77Å; L15-L338 HydrophobicContact CD2-CD1 4.26Å; L15-L338 HydrophobicContact CD2-CD2 4.07Å
16R94.8Very high93Very high117 Ų11747 Ų4744%0.44225%0.247SC..Hα-helixtrans-58.1-42.6178.6-80.4-175152.9-163.6-4.5113.2L12 R13 V18 E19 L20 L37L12-R16 WeakPolarHBondContact O-CB 3.45Å; L12-R16 WeakPolarHBondContact O-CG 3.34Å; L12-R16 PolarHBondContact O-N 2.89Å; R13-R16 PolarHBondContact O-N 2.69Å; R16-V18 VanDerWaalsContact C-N 3.33Å; R16-V18 PolarHBondContact O-N 3.09Å; R16-E19 WeakPolarHBondContact O-CB 3.36Å; R16-E19 PolarHBondContact O-N 2.87Å; R16-L20 WeakPolarHBondContact O-CB 3.48Å; R16-L20 VanDerWaalsContact O-CG 3.29Å; R16-L20 WeakPolarHBondContact O-CG 3.27Å; R16-L20 PolarHBondContact O-N 3.26Å; R16-L37 HydrophobicContact CB-CD2 3.63Å
17L96.6Very high93Very high0 Ų047.3 Ų47.30%025%0.251CS..Hα-helixtrans-59.2-44.9178.5172.656.7000111.4R13 H14 L15 L21 L33 L37 L44 D47 V48 I51 I60R13-L17 WeakPolarHBondContact O-CB 3.28Å; R13-L17 PolarHBondContact O-N 3.41Å; H14-L17 PolarHBondContact O-N 2.95Å; L15-L17 PolarHBondContact O-N 3.02Å; L17-L21 HydrophobicContact CD1-CD1 3.91Å; L17-L21 HydrophobicContact CD1-CG 4.26Å; L17-L21 HydrophobicContact CG-CD1 4.45Å; L17-L21 VanDerWaalsContact O-CG 3.32Å; L17-L21 WeakPolarHBondContact O-CG 3.47Å; L17-L21 PolarHBondContact O-N 2.73Å; L17-L33 HydrophobicContact CD1-CD1 3.97Å; L17-L33 HydrophobicContact CD1-CD2 3.79Å; L17-L33 HydrophobicContact CD1-CG 4.46Å; L17-L37 HydrophobicContact CB-CD1 3.85Å; L17-L37 HydrophobicContact CB-CD2 4.38Å; L17-L37 HydrophobicContact CD1-CD1 3.84Å; L17-L37 HydrophobicContact CG-CD1 4.28Å; L17-L44 HydrophobicContact CD1-CD1 3.97Å; L17-L44 HydrophobicContact CD2-CD1 3.89Å; L17-D47 HydrophobicContact CD2-CB 4.41Å; L17-V48 HydrophobicContact CD2-CG2 4.01Å; L17-I51 HydrophobicContact CD2-CD1 3.76Å; L17-I51 HydrophobicContact CG-CD1 4.33Å; L17-I60 HydrophobicContact CD2-CD1 3.76Å; L17-I60 HydrophobicContact CG-CD1 3.83Å
18V95.2Very high93Very high1 Ų148 Ų481%0.00625%0.254CS..Hα-helixtrans-69.2-37.8177.6-178.90000111.1H14 L15 R16 L21 Y22 I51 F58 L69 L80H14-V18 WeakPolarHBondContact O-CG2 3.19Å; H14-V18 PolarHBondContact O-N 3.31Å; L15-V18 PolarHBondContact O-N 3.45Å; R16-V18 VanDerWaalsContact C-N 3.33Å; R16-V18 PolarHBondContact O-N 3.09Å; V18-L21 PolarHBondContact O-N 2.86Å; V18-Y22 VanDerWaalsContact O-CB 3.22Å; V18-Y22 WeakPolarHBondContact O-CB 3.43Å; V18-Y22 PolarHBondContact O-N 3.24Å; V18-I51 HydrophobicContact CG2-CD1 4.09Å; V18-I51 HydrophobicContact CG2-CG2 4.17Å; V18-F58 HydrophobicContact CG1-CD1 4.16Å; V18-F58 HydrophobicContact CG1-CG 4.42Å; V18-L69 HydrophobicContact CG1-CD1 3.95Å; V18-L69 HydrophobicContact CG1-CD2 3.68Å; V18-L69 HydrophobicContact CG1-CG 4.49Å; V18-L80 HydrophobicContact CB-CD1 4.24Å; V18-L80 HydrophobicContact CB-CD2 3.7Å; V18-L80 HydrophobicContact CG1-CD1 4.11Å; V18-L80 HydrophobicContact CG1-CD2 3.49Å; V18-L80 VanDerWaalsContact CG1-CD2 3.49Å; V18-L80 HydrophobicContact CG1-CG 4.38Å; V18-L80 HydrophobicContact CG2-CD1 4.24Å
19E93.2Very high93.3Very high28 Ų2848.6 Ų48.613%0.13126%0.256CS..Hα-helixtrans-61-48175.8-71.4174.1152.300112.7R4 L15 R16 L21 Y22 A23 I77 Y81R4-E19 IonicContact CZ-OE1 3.27Å; R4-E19 VanDerWaalsContact CZ-OE1 3.25Å; R4-E19 IonicContact CZ-OE2 3.55Å; R4-E19 IonicContact NH1-OE1 2.82Å; R4-E19 PolarHBondContact NH1-OE1 3.24Å; R4-E19 IonicContact NH1-OE2 3.3Å; R4-E19 PolarHBondContact NH1-OE2 3.05Å; R4-E19 IonicContact NH2-OE1 3.99Å; R4-E19 PolarHBondContact NH2-OE1 2.73Å; R4-E19 IonicContact NH2-OE2 2.69Å; L15-E19 VanDerWaalsContact O-CG 3.31Å; L15-E19 WeakPolarHBondContact O-CG 3.43Å; L15-E19 PolarHBondContact O-N 3.26Å; R16-E19 WeakPolarHBondContact O-CB 3.36Å; R16-E19 PolarHBondContact O-N 2.87Å; E19-L21 VanDerWaalsContact C-N 3.33Å; E19-L21 PolarHBondContact O-N 3.37Å; E19-Y22 WeakPolarHBondContact O-CB 3.33Å; E19-Y22 PolarHBondContact O-N 3.45Å; E19-Y22 VanDerWaalsContact O-N 3.13Å; E19-A23 WeakPolarHBondContact O-CB 3.34Å; E19-A23 PolarHBondContact O-N 3.12Å; E19-I77 HydrophobicContact CG-CD1 4.49Å; E19-Y81 VanDerWaalsContact OE1-CE1 3.26Å; E19-Y81 WeakPolarHBondContact OE1-CE1 3.44Å; E19-Y81 PolarHBondContact OE1-OH 3.28Å
20L93.9Very high93.5Very high42 Ų4244.6 Ų44.622%0.2223%0.233CC..Hα-helixtrans-58.7-45.9178.5-72.3169.2000111.2R16 Y22 A23 C24 L28 L33 E36 L37R16-L20 WeakPolarHBondContact O-CB 3.48Å; R16-L20 VanDerWaalsContact O-CG 3.29Å; R16-L20 WeakPolarHBondContact O-CG 3.27Å; R16-L20 PolarHBondContact O-N 3.26Å; L20-Y22 VanDerWaalsContact C-N 3.32Å; L20-Y22 PolarHBondContact O-N 3.15Å; L20-A23 PolarHBondContact O-N 3.29Å; L20-C24 PolarHBondContact O-N 3.34Å; L20-L28 HydrophobicContact CB-CD1 3.86Å; L20-L33 HydrophobicContact CB-CD2 4.47Å; L20-L33 HydrophobicContact CD1-CD2 4.25Å; L20-E36 HydrophobicContact CD1-CB 3.66Å; L20-E36 HydrophobicContact CD1-CG 4.43Å; L20-E36 HydrophobicContact CD2-CB 4.38Å; L20-E36 HydrophobicContact CD2-CG 4.4Å; L20-L37 HydrophobicContact CD1-CD2 3.75Å; L20-L37 HydrophobicContact CD1-CG 4.02Å
21L95.6Very high93.7Very high0 Ų048.1 Ų48.10%025%0.248CC..Hα-helixtrans-73.4-24.3178.1-62.9178.2000113.1L17 V18 E19 C24 L28 L33 I60 Y67 L69L17-L21 HydrophobicContact CD1-CD1 3.91Å; L17-L21 HydrophobicContact CD1-CG 4.26Å; L17-L21 HydrophobicContact CG-CD1 4.45Å; L17-L21 VanDerWaalsContact O-CG 3.32Å; L17-L21 WeakPolarHBondContact O-CG 3.47Å; L17-L21 PolarHBondContact O-N 2.73Å; V18-L21 PolarHBondContact O-N 2.86Å; E19-L21 VanDerWaalsContact C-N 3.33Å; E19-L21 PolarHBondContact O-N 3.37Å; L21-C24 CarbonylContact O-C 3.58Å; L21-L28 HydrophobicContact CD2-CB 4.13Å; L21-L28 HydrophobicContact CD2-CD1 4.23Å; L21-L28 HydrophobicContact CD2-CG 4.32Å; L21-L33 HydrophobicContact CD2-CD1 4.45Å; L21-L33 HydrophobicContact CD2-CD2 4.32Å; L21-I60 HydrophobicContact CD1-CB 4.44Å; L21-I60 HydrophobicContact CD1-CD1 4.01Å; L21-I60 HydrophobicContact CD1-CG1 3.91Å; L21-I60 HydrophobicContact CD1-CG2 3.76Å; L21-Y67 WeakPolarHBondContact CD2-O 3.47Å; L21-L69 HydrophobicContact CB-CB 3.73Å
22Y92.1Very high93.9Very high80 Ų8049.7 Ų49.731%0.31425%0.254SS..Hα-helixtrans-71.6-42.4172.1-177.6-85.3000111.1V18 E19 L20 R25 L69 I71 I77V18-Y22 VanDerWaalsContact O-CB 3.22Å; V18-Y22 WeakPolarHBondContact O-CB 3.43Å; V18-Y22 PolarHBondContact O-N 3.24Å; E19-Y22 WeakPolarHBondContact O-CB 3.33Å; E19-Y22 PolarHBondContact O-N 3.45Å; E19-Y22 VanDerWaalsContact O-N 3.13Å; L20-Y22 VanDerWaalsContact C-N 3.32Å; L20-Y22 PolarHBondContact O-N 3.15Å; Y22-R25 VanDerWaalsContact CZ-NH2 3.27Å; Y22-R25 WeakPolarHBondContact O-CD 3.44Å; Y22-R25 PolarHBondContact O-NE 3.09Å; Y22-R25 VanDerWaalsContact O-NE 3.12Å; Y22-L69 HydrophobicContact CD2-CD2 4.21Å; Y22-I71 HydrophobicContact CD2-CD1 3.5Å; Y22-I71 HydrophobicContact CE2-CD1 3.61Å; Y22-I77 HydrophobicContact CD1-CD1 3.71Å; Y22-I77 HydrophobicContact CD2-CB 3.88Å; Y22-I77 HydrophobicContact CD2-CD1 3.7Å; Y22-I77 HydrophobicContact CD2-CG1 4.2Å; Y22-I77 HydrophobicContact CE1-CB 4.37Å; Y22-I77 HydrophobicContact CE1-CD1 4.21Å; Y22-I77 HydrophobicContact CE1-CG2 4.18Å; Y22-I77 HydrophobicContact CE2-CB 3.56Å; Y22-I77 HydrophobicContact CE2-CD1 4.2Å; Y22-I77 HydrophobicContact CE2-CG1 4.38Å; Y22-I77 HydrophobicContact CE2-CG2 4.09Å; Y22-I77 HydrophobicContact CG-CB 4.43Å; Y22-I77 HydrophobicContact CG-CD1 3.47Å; Y22-I77 VanDerWaalsContact CG-CD1 3.47Å; Y22-I77 HydrophobicContact CG-CG1 4.44Å
23A87.4Confident94.1Very high86 Ų8647.5 Ų47.571%0.71124%0.243SC*.Hα-helixtrans-67.8-41.5176.800000111.6E19 L20E19-A23 WeakPolarHBondContact O-CB 3.34Å; E19-A23 PolarHBondContact O-N 3.12Å; L20-A23 PolarHBondContact O-N 3.29Å
24C89.1Confident94.2Very high43 Ų4347.5 Ų47.529%0.29125%0.245SC..  trans-103.586.1178.3-1690000112.1L20 L21 I26 G27 L28L20-C24 PolarHBondContact O-N 3.34Å; L21-C24 CarbonylContact O-C 3.58Å; C24-I26 VanDerWaalsContact C-N 3.29Å; C24-I26 PolarHBondContact O-N 2.82Å; C24-G27 WeakPolarHBondContact O-CA 3.3Å; C24-G27 PolarHBondContact O-N 3.19Å; C24-L28 HydrophobicContact CB-CD1 4.34Å; C24-L28 HydrophobicContact CB-CD2 4.03Å; C24-L28 HydrophobicContact CB-CG 3.99Å
25R85.2Confident94.3Very high121 Ų12153.8 Ų53.846%0.45728%0.275SS..THydrogen-bonded Turntrans-63.4-29.6-176.9-64.4-57.5-171.2176.5-0.3115.1Y22 G27Y22-R25 VanDerWaalsContact CZ-NH2 3.27Å; Y22-R25 WeakPolarHBondContact O-CD 3.44Å; Y22-R25 PolarHBondContact O-NE 3.09Å; Y22-R25 VanDerWaalsContact O-NE 3.12Å; R25-G27 PolarHBondContact O-N 3.11Å
26I89.9Confident94.3Very high132 Ų13259 Ų5968%0.67730%0.299SS*.THydrogen-bonded Turntrans-66.8-24.5176.5-61.3168.4000110.4C24 L66 Q68C24-I26 VanDerWaalsContact C-N 3.29Å; C24-I26 PolarHBondContact O-N 2.82Å; I26-L66 HydrophobicContact CG2-CD1 4.46Å; I26-Q68 WeakPolarHBondContact O-CG 3.41Å; I26-Q68 PolarHBondContact O-NE2 3.37Å
27G94.3Very high94.4Very high7 Ų754 Ų547%0.07228%0.281CS..  trans100.6162.3179.100000113.3C24 R25 Y67C24-G27 WeakPolarHBondContact O-CA 3.3Å; C24-G27 PolarHBondContact O-N 3.19Å; R25-G27 PolarHBondContact O-N 3.11Å; G27-Y67 CarbonylContact C-O 3.56Å; G27-Y67 WeakPolarHBondContact CA-O 3.18Å
28L97Very high94.4Very high19 Ų1962.4 Ų62.410%0.09932%0.32CS..BIsolated β-bridgetrans-117.3144.9-176.9-67.2169.9000110.7L20 L21 C24 Q32 L33 L66 Y67L20-L28 HydrophobicContact CB-CD1 3.86Å; L21-L28 HydrophobicContact CD2-CB 4.13Å; L21-L28 HydrophobicContact CD2-CD1 4.23Å; L21-L28 HydrophobicContact CD2-CG 4.32Å; C24-L28 HydrophobicContact CB-CD1 4.34Å; C24-L28 HydrophobicContact CB-CD2 4.03Å; C24-L28 HydrophobicContact CB-CG 3.99Å; L28-Q32 HydrophobicContact CB-CB 4.43Å; L28-Q32 HydrophobicContact CD2-CB 4.4Å; L28-L33 HydrophobicContact CB-CD1 4.44Å; L28-L33 HydrophobicContact CB-CD2 3.98Å; L28-L33 HydrophobicContact CB-CG 3.89Å; L28-L33 HydrophobicContact CD1-CD2 3.69Å; L28-L33 HydrophobicContact CD1-CG 4.48Å; L28-L33 HydrophobicContact CG-CD2 4.5Å; L28-L66 CarbonylContact O-C 3.45Å; L28-L66 WeakPolarHBondContact O-CA 3.48Å; L28-Y67 PolarHBondContact N-O 3.32Å; L28-Y67 PolarHBondContact O-N 3.31Å
29S97Very high94.5Very high30 Ų3063.5 Ų63.521%0.2133%0.328CS..  trans-67.9167173.267.40000111.4D31 Q32 L33S29-D31 VanDerWaalsContact C-N 3.32Å; S29-Q32 VanDerWaalsContact OG-CG 3.29Å; S29-Q32 WeakPolarHBondContact OG-CG 3.47Å; S29-Q32 PolarHBondContact OG-N 3.22Å; S29-Q32 PolarHBondContact OG-OE1 2.96Å; S29-L33 WeakPolarHBondContact O-CG 3.21Å; S29-L33 PolarHBondContact O-N 3.13Å
30S96.8Very high94.7Very high24 Ų2465.1 Ų65.117%0.16834%0.342CS..Hα-helixtrans-60.2-47.4174.2-41.90000109.9Q32 L33 L34 K62S30-Q32 PolarHBondContact O-N 3.41Å; S30-L33 PolarHBondContact O-N 2.77Å; S30-L33 VanDerWaalsContact O-N 3.08Å; S30-L34 VanDerWaalsContact O-CG 3.27Å; S30-L34 WeakPolarHBondContact O-CG 3.49Å; S30-L34 PolarHBondContact O-N 3.05Å; S30-K62 PolarHBondContact OG-NZ 3.16Å
31D97Very high94.8Very high121 Ų12167 Ų6765%0.64735%0.352SS*.Hα-helixtrans-61.2-44.9-174.9-58.5-27.6000112S29 L33 L34 E35S29-D31 VanDerWaalsContact C-N 3.32Å; D31-L33 VanDerWaalsContact C-N 3.33Å; D31-L33 PolarHBondContact O-N 3.01Å; D31-L34 PolarHBondContact O-N 3.38Å; D31-E35 PolarHBondContact O-N 3.18Å
32Q97.2Very high94.9Very high88 Ų8871.4 Ų71.441%0.41138%0.383SS..Hα-helixtrans-57.9-43.7173.8-72.7169.1-57.200112.2L28 S29 S30 E36L28-Q32 HydrophobicContact CB-CB 4.43Å; L28-Q32 HydrophobicContact CD2-CB 4.4Å; S29-Q32 VanDerWaalsContact OG-CG 3.29Å; S29-Q32 WeakPolarHBondContact OG-CG 3.47Å; S29-Q32 PolarHBondContact OG-N 3.22Å; S29-Q32 PolarHBondContact OG-OE1 2.96Å; S30-Q32 PolarHBondContact O-N 3.41Å; Q32-E36 WeakPolarHBondContact O-CB 3.35Å; Q32-E36 VanDerWaalsContact O-CG 3.27Å; Q32-E36 WeakPolarHBondContact O-CG 3.47Å; Q32-E36 PolarHBondContact O-N 3.26Å
33L98Very high95.2Very high0 Ų069.9 Ų69.90%038%0.382CS..Hα-helixtrans-69.6-33.7178.6-71.3176.5000112.9L17 L20 L21 L28 S29 S30 D31 L37 L44 Y67L17-L33 HydrophobicContact CD1-CD1 3.97Å; L17-L33 HydrophobicContact CD1-CD2 3.79Å; L17-L33 HydrophobicContact CD1-CG 4.46Å; L20-L33 HydrophobicContact CB-CD2 4.47Å; L20-L33 HydrophobicContact CD1-CD2 4.25Å; L21-L33 HydrophobicContact CD2-CD1 4.45Å; L21-L33 HydrophobicContact CD2-CD2 4.32Å; L28-L33 HydrophobicContact CB-CD1 4.44Å; L28-L33 HydrophobicContact CB-CD2 3.98Å; L28-L33 HydrophobicContact CB-CG 3.89Å; L28-L33 HydrophobicContact CD1-CD2 3.69Å; L28-L33 HydrophobicContact CD1-CG 4.48Å; L28-L33 HydrophobicContact CG-CD2 4.5Å; S29-L33 WeakPolarHBondContact O-CG 3.21Å; S29-L33 PolarHBondContact O-N 3.13Å; S30-L33 PolarHBondContact O-N 2.77Å; S30-L33 VanDerWaalsContact O-N 3.08Å; D31-L33 VanDerWaalsContact C-N 3.33Å; D31-L33 PolarHBondContact O-N 3.01Å; L33-L37 HydrophobicContact CB-CD1 4.48Å; L33-L37 WeakPolarHBondContact O-CB 3.43Å; L33-L37 VanDerWaalsContact O-CG 3.26Å; L33-L37 WeakPolarHBondContact O-CG 3.45Å; L33-L37 PolarHBondContact O-N 3.16Å; L33-L44 HydrophobicContact CB-CD1 4.38Å; L33-L44 HydrophobicContact CB-CD2 3.97Å; L33-L44 HydrophobicContact CD1-CD1 4.26Å; L33-L44 HydrophobicContact CD1-CD2 4.2Å; L33-Y67 HydrophobicContact CD1-CD2 3.66Å; L33-Y67 HydrophobicContact CD1-CE2 4.45Å; L33-Y67 HydrophobicContact CD1-CG 3.76Å
34L97.8Very high95.7Very high40 Ų4065.8 Ų65.821%0.20935%0.348CS..Hα-helixtrans-69.1-38.8177.6-63.8-178.3000111.5S30 D31 E38 C39 S40 L41 L44S30-L34 VanDerWaalsContact O-CG 3.27Å; S30-L34 WeakPolarHBondContact O-CG 3.49Å; S30-L34 PolarHBondContact O-N 3.05Å; D31-L34 PolarHBondContact O-N 3.38Å; L34-E38 WeakPolarHBondContact O-CA 3.44Å; L34-E38 PolarHBondContact O-N 3.45Å; L34-C39 WeakPolarHBondContact CD2-O 3.43Å; L34-C39 PolarHBondContact O-N 3.32Å; L34-S40 VanDerWaalsContact CD2-C 3.47Å; L34-L41 HydrophobicContact CD1-CB 4.23Å; L34-L41 HydrophobicContact CD2-CB 4.44Å; L34-L44 HydrophobicContact CD2-CB 3.97Å; L34-L44 HydrophobicContact CD2-CD2 3.89Å
35E97.3Very high96.1Very high149 Ų14967.8 Ų67.870%0.69636%0.355SS*.Hα-helixtrans-64.7-57.5174.4-174.7172.5-168.100111D31 L37 E38D31-E35 PolarHBondContact O-N 3.18Å; E35-L37 VanDerWaalsContact C-N 3.31Å; E35-L37 PolarHBondContact O-N 3.07Å; E35-E38 PolarHBondContact O-N 2.9Å
36E95.7Very high96.6Very high110 Ų11069.1 Ų69.151%0.51436%0.364SS..Hα-helixtrans-63.9-30.9-176.6-70.8-69.316400114.2L20 Q32L20-E36 HydrophobicContact CD1-CB 3.66Å; L20-E36 HydrophobicContact CD1-CG 4.43Å; L20-E36 HydrophobicContact CD2-CB 4.38Å; L20-E36 HydrophobicContact CD2-CG 4.4Å; Q32-E36 WeakPolarHBondContact O-CB 3.35Å; Q32-E36 VanDerWaalsContact O-CG 3.27Å; Q32-E36 WeakPolarHBondContact O-CG 3.47Å; Q32-E36 PolarHBondContact O-N 3.26Å
37L96.6Very high96.9Very high12 Ų1263 Ų636%0.06333%0.333CS..THydrogen-bonded Turntrans-98.3-2.4-179.8-60172.3000113.6R13 R16 L17 L20 L33 E35 C39 L44R13-L37 HydrophobicContact CG-CB 4.07Å; R13-L37 HydrophobicContact CG-CD1 4.44Å; R13-L37 HydrophobicContact CG-CD2 4.06Å; R13-L37 HydrophobicContact CG-CG 4.43Å; R16-L37 HydrophobicContact CB-CD2 3.63Å; L17-L37 HydrophobicContact CB-CD1 3.85Å; L17-L37 HydrophobicContact CB-CD2 4.38Å; L17-L37 HydrophobicContact CD1-CD1 3.84Å; L17-L37 HydrophobicContact CG-CD1 4.28Å; L20-L37 HydrophobicContact CD1-CD2 3.75Å; L20-L37 HydrophobicContact CD1-CG 4.02Å; L33-L37 HydrophobicContact CB-CD1 4.48Å; L33-L37 WeakPolarHBondContact O-CB 3.43Å; L33-L37 VanDerWaalsContact O-CG 3.26Å; L33-L37 WeakPolarHBondContact O-CG 3.45Å; L33-L37 PolarHBondContact O-N 3.16Å; E35-L37 VanDerWaalsContact C-N 3.31Å; E35-L37 PolarHBondContact O-N 3.07Å; L37-C39 VanDerWaalsContact C-N 3.31Å; L37-C39 PolarHBondContact O-N 2.79Å; L37-L44 HydrophobicContact CD1-CD1 4.15Å
38E96.5Very high97.1Very high177 Ų17763.5 Ų63.583%0.82733%0.334SS*.THydrogen-bonded Turntrans46.152.5-177.1-62.1176.6-166.300112.1L34 E35L34-E38 WeakPolarHBondContact O-CA 3.44Å; L34-E38 PolarHBondContact O-N 3.45Å; E35-E38 PolarHBondContact O-N 2.9Å
39C96.7Very high97Very high25 Ų2570.2 Ų70.217%0.16936%0.363CS..  trans-137.8168.1-174.278.80000113.1L34 L37 V43L34-C39 WeakPolarHBondContact CD2-O 3.43Å; L34-C39 PolarHBondContact O-N 3.32Å; L37-C39 VanDerWaalsContact C-N 3.31Å; L37-C39 PolarHBondContact O-N 2.79Å; C39-V43 HydrophobicContact CB-CB 4.27Å; C39-V43 HydrophobicContact CB-CG1 4.08Å
40S97Very high96.8Very high62 Ų6271.3 Ų71.343%0.43437%0.366SS..  trans-87.8157175.273.80000111.7L34 S42 V43 L44L34-S40 VanDerWaalsContact CD2-C 3.47Å; S40-S42 PolarHBondContact O-N 3.16Å; S40-S42 VanDerWaalsContact O-N 3.17Å; S40-V43 WeakPolarHBondContact O-CA 3.36Å; S40-V43 WeakPolarHBondContact O-CB 3.36Å; S40-V43 PolarHBondContact O-N 3.24Å; S40-V43 WeakPolarHBondContact OG-CG2 3.34Å; S40-V43 PolarHBondContact OG-N 3.28Å; S40-L44 PolarHBondContact O-N 2.94Å
41L97.2Very high96.7Very high82 Ų8270.4 Ų70.443%0.42936%0.36SS..Hα-helixtrans-54.2-37.7176.3-177.160.5000112.7L34 V43 L44 L45L34-L41 HydrophobicContact CD1-CB 4.23Å; L34-L41 HydrophobicContact CD2-CB 4.44Å; L41-V43 VanDerWaalsContact C-N 3.33Å; L41-V43 PolarHBondContact O-N 3.12Å; L41-L44 HydrophobicContact CD1-CD2 4.43Å; L41-L44 PolarHBondContact O-N 3.17Å; L41-L45 HydrophobicContact CD1-CD1 4.37Å; L41-L45 HydrophobicContact CD1-CG 4.2Å; L41-L45 HydrophobicContact CG-CD1 4.15Å; L41-L45 HydrophobicContact CG-CG 4.41Å; L41-L45 WeakPolarHBondContact O-CB 3.46Å; L41-L45 VanDerWaalsContact O-CG 3.25Å; L41-L45 WeakPolarHBondContact O-CG 3.49Å; L41-L45 PolarHBondContact O-N 2.97Å
42S97.6Very high96.6Very high92 Ų9267.3 Ų67.364%0.64334%0.343SS*.Hα-helixtrans-61.7-41.7176.7-1770000112.1S40 K46S40-S42 PolarHBondContact O-N 3.16Å; S40-S42 VanDerWaalsContact O-N 3.17Å; S42-K46 WeakPolarHBondContact O-CB 3.34Å; S42-K46 PolarHBondContact O-N 3.08Å; S42-K46 VanDerWaalsContact O-N 3.11Å
43V97.2Very high96.4Very high47 Ų4767.3 Ų67.329%0.28535%0.352SS..Hα-helixtrans-67.8-47.2177.3173.70000110.4R13 C39 S40 L41 L45 K46 D47R13-V43 VanDerWaalsContact NH2-CG1 3.26Å; C39-V43 HydrophobicContact CB-CB 4.27Å; C39-V43 HydrophobicContact CB-CG1 4.08Å; S40-V43 WeakPolarHBondContact O-CA 3.36Å; S40-V43 WeakPolarHBondContact O-CB 3.36Å; S40-V43 PolarHBondContact O-N 3.24Å; S40-V43 WeakPolarHBondContact OG-CG2 3.34Å; S40-V43 PolarHBondContact OG-N 3.28Å; L41-V43 VanDerWaalsContact C-N 3.33Å; L41-V43 PolarHBondContact O-N 3.12Å; V43-L45 VanDerWaalsContact C-N 3.33Å; V43-L45 PolarHBondContact O-N 2.87Å; V43-K46 WeakPolarHBondContact O-CB 3.11Å; V43-K46 PolarHBondContact O-N 3.28Å; V43-K46 VanDerWaalsContact O-N 3.16Å; V43-D47 WeakPolarHBondContact O-CB 3.41Å; V43-D47 VanDerWaalsContact O-CG 3.27Å; V43-D47 PolarHBondContact O-N 2.99Å
44L97.8Very high95.8Very high0 Ų072.2 Ų72.20%038%0.375CS..Hα-helixtrans-55.1-47.9176.9176.861.8000111.7L17 L33 L34 L37 S40 L41 K46 D47 V48 Y67L17-L44 HydrophobicContact CD1-CD1 3.97Å; L17-L44 HydrophobicContact CD2-CD1 3.89Å; L33-L44 HydrophobicContact CB-CD1 4.38Å; L33-L44 HydrophobicContact CB-CD2 3.97Å; L33-L44 HydrophobicContact CD1-CD1 4.26Å; L33-L44 HydrophobicContact CD1-CD2 4.2Å; L34-L44 HydrophobicContact CD2-CB 3.97Å; L34-L44 HydrophobicContact CD2-CD2 3.89Å; L37-L44 HydrophobicContact CD1-CD1 4.15Å; S40-L44 PolarHBondContact O-N 2.94Å; L41-L44 HydrophobicContact CD1-CD2 4.43Å; L41-L44 PolarHBondContact O-N 3.17Å; L44-K46 VanDerWaalsContact C-N 3.34Å; L44-K46 PolarHBondContact O-N 3.05Å; L44-D47 PolarHBondContact O-N 2.85Å; L44-V48 HydrophobicContact CD1-CG2 4.25Å; L44-V48 VanDerWaalsContact O-CG2 3.32Å; L44-V48 WeakPolarHBondContact O-CG2 3.29Å; L44-V48 PolarHBondContact O-N 3.01Å; L44-Y67 HydrophobicContact CD2-CE2 4.36Å
45L97.3Very high95.1Very high86 Ų8671.6 Ų71.645%0.4537%0.372SS..Hα-helixtrans-64.3-38.3179.5-68.5175.4000112.5L41 V43 K49 Y67L41-L45 HydrophobicContact CD1-CD1 4.37Å; L41-L45 HydrophobicContact CD1-CG 4.2Å; L41-L45 HydrophobicContact CG-CD1 4.15Å; L41-L45 HydrophobicContact CG-CG 4.41Å; L41-L45 WeakPolarHBondContact O-CB 3.46Å; L41-L45 VanDerWaalsContact O-CG 3.25Å; L41-L45 WeakPolarHBondContact O-CG 3.49Å; L41-L45 PolarHBondContact O-N 2.97Å; V43-L45 VanDerWaalsContact C-N 3.33Å; V43-L45 PolarHBondContact O-N 2.87Å; L45-K49 WeakPolarHBondContact O-CB 3.39Å; L45-K49 PolarHBondContact O-N 3.41Å; L45-Y67 WeakPolarHBondContact CD2-OH 3.38Å
46K97Very high94.5Very high148 Ų14870.7 Ų70.764%0.64337%0.371SS*.Hα-helixtrans-64.1-42.5174.8-176.5-179.6177.5-178.80111.3S42 V43 L44 K49 L50S42-K46 WeakPolarHBondContact O-CB 3.34Å; S42-K46 PolarHBondContact O-N 3.08Å; S42-K46 VanDerWaalsContact O-N 3.11Å; V43-K46 WeakPolarHBondContact O-CB 3.11Å; V43-K46 PolarHBondContact O-N 3.28Å; V43-K46 VanDerWaalsContact O-N 3.16Å; L44-K46 VanDerWaalsContact C-N 3.34Å; L44-K46 PolarHBondContact O-N 3.05Å; K46-K49 PolarHBondContact O-N 2.79Å; K46-L50 WeakPolarHBondContact O-CB 3.45Å; K46-L50 PolarHBondContact O-N 3.33Å
47D96.4Very high94.2Very high3 Ų366 Ų662%0.01635%0.351CS..Hα-helixtrans-67.4-44.7179.7-71-15.4000111.6R13 H14 L17 V43 L44 K49 L50 I51R13-D47 IonicContact CZ-OD2 3.84Å; R13-D47 IonicContact NE-OD2 2.98Å; R13-D47 PolarHBondContact NE-OD2 3.28Å; R13-D47 IonicContact NH2-OD1 3.45Å; R13-D47 PolarHBondContact NH2-OD1 2.98Å; R13-D47 IonicContact NH2-OD2 2.62Å; R13-D47 PolarHBondContact NH2-OD2 3.33Å; H14-D47 IonicContact CD2-OD1 2.83Å; H14-D47 PolarHBondContact CD2-OD1 3.23Å; H14-D47 IonicContact CD2-OD2 3.52Å; H14-D47 IonicContact CE1-OD1 3.18Å; H14-D47 IonicContact NE2-OD1 2.84Å; H14-D47 PolarHBondContact NE2-OD1 2.96Å; H14-D47 IonicContact NE2-OD2 3.88Å; L17-D47 HydrophobicContact CD2-CB 4.41Å; V43-D47 WeakPolarHBondContact O-CB 3.41Å; V43-D47 VanDerWaalsContact O-CG 3.27Å; V43-D47 PolarHBondContact O-N 2.99Å; L44-D47 PolarHBondContact O-N 2.85Å; D47-K49 VanDerWaalsContact C-N 3.3Å; D47-K49 PolarHBondContact O-N 3.02Å; D47-L50 PolarHBondContact O-N 3.2Å; D47-L50 VanDerWaalsContact O-N 3.13Å; D47-I51 WeakPolarHBondContact O-CB 3.41Å; D47-I51 VanDerWaalsContact O-CG1 3.31Å; D47-I51 WeakPolarHBondContact O-CG1 3.42Å; D47-I51 PolarHBondContact O-N 3.37Å
48V97.1Very high94.1Very high18 Ų1865.4 Ų65.411%0.10935%0.348CS..Hα-helixtrans-56.1-45.6172.9167.90000111.1L17 L44 L50 N52 I60 Y67L17-V48 HydrophobicContact CD2-CG2 4.01Å; L44-V48 HydrophobicContact CD1-CG2 4.25Å; L44-V48 VanDerWaalsContact O-CG2 3.32Å; L44-V48 WeakPolarHBondContact O-CG2 3.29Å; L44-V48 PolarHBondContact O-N 3.01Å; V48-L50 VanDerWaalsContact C-N 3.34Å; V48-L50 PolarHBondContact O-N 3.05Å; V48-N52 WeakPolarHBondContact O-CB 3.45Å; V48-N52 VanDerWaalsContact O-CG 3.28Å; V48-N52 PolarHBondContact O-N 3.24Å; V48-N52 PolarHBondContact O-ND2 3.28Å; V48-I60 HydrophobicContact CG1-CB 4.15Å; V48-I60 HydrophobicContact CG1-CG2 4.08Å; V48-I60 HydrophobicContact CG2-CD1 4.24Å; V48-I60 HydrophobicContact CG2-CG2 4.09Å; V48-Y67 HydrophobicContact CG2-CD1 4.25Å; V48-Y67 HydrophobicContact CG2-CE1 4.1Å
49K95.9Very high94Very high161 Ų16164.3 Ų64.370%0.734%0.336SS*.Hα-helixtrans-62.4-42.3177.2-176.3177.2179.51790111.7L45 K46 D47 S53L45-K49 WeakPolarHBondContact O-CB 3.39Å; L45-K49 PolarHBondContact O-N 3.41Å; K46-K49 PolarHBondContact O-N 2.79Å; D47-K49 VanDerWaalsContact C-N 3.3Å; D47-K49 PolarHBondContact O-N 3.02Å; K49-S53 WeakPolarHBondContact O-CB 3.31Å; K49-S53 PolarHBondContact O-N 3.14Å; K49-S53 VanDerWaalsContact O-N 3.12Å; K49-S53 PolarHBondContact O-OG 3.3Å
50L93.4Very high94Very high52 Ų5263.3 Ų63.327%0.27233%0.329SS..Hα-helixtrans-67.7-48.1-178.3-174.358.7000111.5H14 K46 D47 V48 N52 S53 Q54H14-L50 WeakPolarHBondContact CE1-CD2 3.41Å; K46-L50 WeakPolarHBondContact O-CB 3.45Å; K46-L50 PolarHBondContact O-N 3.33Å; D47-L50 PolarHBondContact O-N 3.2Å; D47-L50 VanDerWaalsContact O-N 3.13Å; V48-L50 VanDerWaalsContact C-N 3.34Å; V48-L50 PolarHBondContact O-N 3.05Å; L50-N52 PolarHBondContact O-N 2.68Å; L50-S53 WeakPolarHBondContact CA-OG 3.35Å; L50-S53 PolarHBondContact O-N 3.27Å; L50-S53 PolarHBondContact O-OG 2.94Å; L50-Q54 VanDerWaalsContact CD1-CD 3.47Å; L50-Q54 HydrophobicContact CD1-CG 4Å; L50-Q54 HydrophobicContact CG-CG 4.49Å; L50-Q54 WeakPolarHBondContact O-CG 3.45Å; L50-Q54 PolarHBondContact O-N 3.15Å
51I94.2Very high94Very high6 Ų661.8 Ų61.83%0.03132%0.317CS..Hα-helixtrans-55.4-51.9175.5-69164.8000110H14 L17 V18 D47 S53 Q54 Q55 I60H14-I51 HydrophobicContact CB-CD1 4.02Å; H14-I51 HydrophobicContact CB-CG1 4.12Å; L17-I51 HydrophobicContact CD2-CD1 3.76Å; L17-I51 HydrophobicContact CG-CD1 4.33Å; V18-I51 HydrophobicContact CG2-CD1 4.09Å; V18-I51 HydrophobicContact CG2-CG2 4.17Å; D47-I51 WeakPolarHBondContact O-CB 3.41Å; D47-I51 VanDerWaalsContact O-CG1 3.31Å; D47-I51 WeakPolarHBondContact O-CG1 3.42Å; D47-I51 PolarHBondContact O-N 3.37Å; I51-S53 PolarHBondContact O-N 2.97Å; I51-S53 VanDerWaalsContact O-N 3.11Å; I51-Q54 PolarHBondContact O-N 3.29Å; I51-Q54 VanDerWaalsContact O-N 3.14Å; I51-Q55 HydrophobicContact CG2-CB 4.47Å; I51-Q55 HydrophobicContact CG2-CG 4.19Å; I51-Q55 VanDerWaalsContact O-CB 3.31Å; I51-Q55 WeakPolarHBondContact O-CB 3.5Å; I51-Q55 PolarHBondContact O-N 3.21Å; I51-I60 HydrophobicContact CB-CD1 4.39Å; I51-I60 HydrophobicContact CD1-CD1 3.79Å; I51-I60 HydrophobicContact CG2-CD1 4.07Å; I51-I60 HydrophobicContact CG2-CG1 4.41Å
52N95.2Very high93.9Very high56 Ų5663.1 Ų63.130%0.29932%0.32SS..Hα-helixtrans-62.6-20.4179-74.6-12.2000114.1V48 L50 R59 I60V48-N52 WeakPolarHBondContact O-CB 3.45Å; V48-N52 VanDerWaalsContact O-CG 3.28Å; V48-N52 PolarHBondContact O-N 3.24Å; V48-N52 PolarHBondContact O-ND2 3.28Å; L50-N52 PolarHBondContact O-N 2.68Å; N52-R59 WeakPolarHBondContact OD1-CA 3.48Å; N52-I60 PolarHBondContact ND2-O 3.4Å; N52-I60 PolarHBondContact OD1-N 3.4Å
53S91.9Very high93.7Very high87 Ų8765 Ų6561%0.60831%0.313SS*.Hα-helixtrans-91.5-23.5177.771.30000113.9K49 L50 I51K49-S53 WeakPolarHBondContact O-CB 3.31Å; K49-S53 PolarHBondContact O-N 3.14Å; K49-S53 VanDerWaalsContact O-N 3.12Å; K49-S53 PolarHBondContact O-OG 3.3Å; L50-S53 WeakPolarHBondContact CA-OG 3.35Å; L50-S53 PolarHBondContact O-N 3.27Å; L50-S53 PolarHBondContact O-OG 2.94Å; I51-S53 PolarHBondContact O-N 2.97Å; I51-S53 VanDerWaalsContact O-N 3.11Å
54Q86.6Confident93.5Very high104 Ų10471.1 Ų71.149%0.48634%0.337SS..Hα-helixtrans-105.1-25.1-174.6-69.4-178.6-31.900113.1L50 I51L50-Q54 VanDerWaalsContact CD1-CD 3.47Å; L50-Q54 HydrophobicContact CD1-CG 4Å; L50-Q54 HydrophobicContact CG-CG 4.49Å; L50-Q54 WeakPolarHBondContact O-CG 3.45Å; L50-Q54 PolarHBondContact O-N 3.15Å; I51-Q54 PolarHBondContact O-N 3.29Å; I51-Q54 VanDerWaalsContact O-N 3.14Å
55Q82.9Confident93.2Very high27 Ų2773 Ų7313%0.12636%0.356CS..  trans-107.9120.6-175.2-61-70.1-31.300110I51 F58I51-Q55 HydrophobicContact CG2-CB 4.47Å; I51-Q55 HydrophobicContact CG2-CG 4.19Å; I51-Q55 VanDerWaalsContact O-CB 3.31Å; I51-Q55 WeakPolarHBondContact O-CB 3.5Å; I51-Q55 PolarHBondContact O-N 3.21Å; Q55-F58 HydrophobicContact CB-CB 4.29Å
56D84.2Confident93.2Very high129 Ų12971.5 Ų71.569%0.6935%0.348SS*.SBendtrans-80.6-33.1173.2-179.552.9000111.7K72D56-K72 IonicContact OD2-NZ 2.59Å; D56-K72 PolarHBondContact OD2-NZ 3.31Å
57A90.5Very high93.3Very high11 Ų1164.8 Ų64.89%0.09132%0.319CS..SBendtrans-85.9-21.6-172.400000114.5I71 K72 V75A57-I71 WeakPolarHBondContact O-CA 3.41Å; A57-K72 HydrophobicContact CB-CB 4.44Å; A57-K72 PolarHBondContact O-N 3.22Å; A57-V75 HydrophobicContact CB-CB 4.29Å; A57-V75 HydrophobicContact CB-CG1 3.81Å; A57-V75 HydrophobicContact CB-CG2 4.09Å
58F93.2Very high93.3Very high0 Ų067 Ų670%033%0.329CS..EExtended strand (participates in β ladder)trans-125.5114.8-173.1-60.9-77.8000109.4V18 Q55 L69 I71 V75 R79 L80V18-F58 HydrophobicContact CG1-CD1 4.16Å; V18-F58 HydrophobicContact CG1-CG 4.42Å; Q55-F58 HydrophobicContact CB-CB 4.29Å; F58-L69 HydrophobicContact CB-CD1 4.12Å; F58-L69 HydrophobicContact CD1-CD1 4.37Å; F58-L69 HydrophobicContact CD1-CD2 4.25Å; F58-I71 HydrophobicContact CD1-CD1 4.38Å; F58-I71 HydrophobicContact CD1-CG1 4.04Å; F58-I71 HydrophobicContact CD1-CG2 4.29Å; F58-I71 HydrophobicContact CE1-CD1 4.14Å; F58-I71 HydrophobicContact CE1-CG1 4.22Å; F58-I71 HydrophobicContact CE1-CG2 4Å; F58-V75 HydrophobicContact CE2-CG1 4.45Å; F58-V75 HydrophobicContact CZ-CG1 4.1Å; F58-R79 HydrophobicContact CE2-CB 4.1Å; F58-R79 HydrophobicContact CE2-CG 4.21Å; F58-R79 HydrophobicContact CZ-CB 4.21Å; F58-L80 HydrophobicContact CD2-CB 4.36Å; F58-L80 HydrophobicContact CD2-CD1 4.32Å; F58-L80 HydrophobicContact CE2-CB 3.72Å; F58-L80 HydrophobicContact CE2-CD1 4.49Å; F58-L80 HydrophobicContact CZ-CB 3.81Å
59R95.2Very high93.3Very high154 Ų15467 Ų6758%0.58133%0.328SS*.EExtended strand (participates in β ladder)trans-122.9122.6178.9-172.2177.7-177.3159.5-0.4110.6N52 V61 Q70N52-R59 WeakPolarHBondContact OD1-CA 3.48Å; R59-V61 HydrophobicContact CG-CG1 4.16Å; R59-Q70 HydrophobicContact CB-CB 4.35Å; R59-Q70 PolarHBondContact N-O 3.49Å; R59-Q70 PolarHBondContact O-N 3.23Å
60I96.6Very high93.2Very high4 Ų464.4 Ų64.42%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-87.4122.7173.8-57.2172.6000108.4L17 L21 V48 I51 N52 Y67 Q68 L69L17-I60 HydrophobicContact CD2-CD1 3.76Å; L17-I60 HydrophobicContact CG-CD1 3.83Å; L21-I60 HydrophobicContact CD1-CB 4.44Å; L21-I60 HydrophobicContact CD1-CD1 4.01Å; L21-I60 HydrophobicContact CD1-CG1 3.91Å; L21-I60 HydrophobicContact CD1-CG2 3.76Å; V48-I60 HydrophobicContact CG1-CB 4.15Å; V48-I60 HydrophobicContact CG1-CG2 4.08Å; V48-I60 HydrophobicContact CG2-CD1 4.24Å; V48-I60 HydrophobicContact CG2-CG2 4.09Å; I51-I60 HydrophobicContact CB-CD1 4.39Å; I51-I60 HydrophobicContact CD1-CD1 3.79Å; I51-I60 HydrophobicContact CG2-CD1 4.07Å; I51-I60 HydrophobicContact CG2-CG1 4.41Å; N52-I60 PolarHBondContact ND2-O 3.4Å; N52-I60 PolarHBondContact OD1-N 3.4Å; I60-Y67 HydrophobicContact CG2-CD1 3.87Å; I60-Q68 WeakPolarHBondContact CA-O 3.3Å; I60-L69 HydrophobicContact CG1-CD1 4.14Å
61V96Very high93.2Very high30 Ų3064.3 Ų64.318%0.18232%0.318CS..EExtended strand (participates in β ladder)trans-119.1155.8176.8-60.80000110.1R59 Y67 Q68 Q70R59-V61 HydrophobicContact CG-CG1 4.16Å; V61-Y67 CarbonylContact O-C 3.1Å; V61-Y67 WeakPolarHBondContact O-CA 3.46Å; V61-Q68 HydrophobicContact CG2-CB 4.05Å; V61-Q68 PolarHBondContact N-O 2.73Å; V61-Q68 PolarHBondContact O-N 3.45Å; V61-Q70 HydrophobicContact CG1-CG 4.18Å; V61-Q70 HydrophobicContact CG2-CG 3.89Å
62K95.6Very high93.1Very high110 Ų11069.4 Ų69.448%0.47834%0.34SS..EExtended strand (participates in β ladder)trans-113.1120.6174.7-165.4171.9-168.8163.50109.3S30 G65 L66 Y67S30-K62 PolarHBondContact OG-NZ 3.16Å; K62-G65 WeakPolarHBondContact CE-O 3.47Å; K62-L66 CarbonylContact C-O 3.08Å; K62-L66 VanDerWaalsContact CA-O 3.3Å; K62-L66 WeakPolarHBondContact CA-O 3.19Å; K62-Y67 HydrophobicContact CB-CD1 4.49Å; K62-Y67 HydrophobicContact CB-CE1 4.47Å; K62-Y67 HydrophobicContact CD-CE1 4.13Å; K62-Y67 HydrophobicContact CD-CE2 4Å; K62-Y67 PolarHBondContact NZ-OH 2.62Å; K62-Y67 VanDerWaalsContact NZ-OH 3.1Å
63Y93.7Very high92.9Very high131 Ų13170.8 Ų70.851%0.51435%0.354SS..EExtended strand (participates in β ladder)trans-131.9126.6179.5-178.2-104.3000109.8G65 L66Y63-G65 PolarHBondContact O-N 3.06Å; Y63-G65 VanDerWaalsContact O-N 3.1Å; Y63-L66 PolarHBondContact N-O 3.33Å; Y63-L66 PolarHBondContact O-N 3.22Å
64K92.2Very high92.8Very high177 Ų17775.8 Ų75.877%0.7737%0.367SS*.THydrogen-bonded Turntrans47.739.1-177.6-65.2-178.1174.9175.30114L66K64-L66 VanDerWaalsContact C-N 3.31Å; K64-L66 PolarHBondContact O-N 3Å
65G93Very high93Very high40 Ų4072.8 Ų72.841%0.41236%0.356SS..THydrogen-bonded Turntrans86.9-13.5179.200000115.5K62 Y63K62-G65 WeakPolarHBondContact CE-O 3.47Å; Y63-G65 PolarHBondContact O-N 3.06Å; Y63-G65 VanDerWaalsContact O-N 3.1Å
66L97.1Very high93.3Very high53 Ų5374.5 Ų74.528%0.27737%0.371SS..EExtended strand (participates in β ladder)trans-96.1137.5179.2-58.1177.1000111.3I26 L28 K62 Y63 K64I26-L66 HydrophobicContact CG2-CD1 4.46Å; L28-L66 CarbonylContact O-C 3.45Å; L28-L66 WeakPolarHBondContact O-CA 3.48Å; K62-L66 CarbonylContact C-O 3.08Å; K62-L66 VanDerWaalsContact CA-O 3.3Å; K62-L66 WeakPolarHBondContact CA-O 3.19Å; Y63-L66 PolarHBondContact N-O 3.33Å; Y63-L66 PolarHBondContact O-N 3.22Å; K64-L66 VanDerWaalsContact C-N 3.31Å; K64-L66 PolarHBondContact O-N 3Å
67Y98Very high93.5Very high8 Ų869 Ų693%0.03134%0.341CS..EExtended strand (participates in β ladder)trans-81.2132.3167.9-69.1-93.8000109.1L21 G27 L28 L33 L44 L45 V48 I60 V61 K62L21-Y67 WeakPolarHBondContact CD2-O 3.47Å; G27-Y67 CarbonylContact C-O 3.56Å; G27-Y67 WeakPolarHBondContact CA-O 3.18Å; L28-Y67 PolarHBondContact N-O 3.32Å; L28-Y67 PolarHBondContact O-N 3.31Å; L33-Y67 HydrophobicContact CD1-CD2 3.66Å; L33-Y67 HydrophobicContact CD1-CE2 4.45Å; L33-Y67 HydrophobicContact CD1-CG 3.76Å; L44-Y67 HydrophobicContact CD2-CE2 4.36Å; L45-Y67 WeakPolarHBondContact CD2-OH 3.38Å; V48-Y67 HydrophobicContact CG2-CD1 4.25Å; V48-Y67 HydrophobicContact CG2-CE1 4.1Å; I60-Y67 HydrophobicContact CG2-CD1 3.87Å; V61-Y67 CarbonylContact O-C 3.1Å; V61-Y67 WeakPolarHBondContact O-CA 3.46Å; K62-Y67 HydrophobicContact CB-CD1 4.49Å; K62-Y67 HydrophobicContact CB-CE1 4.47Å; K62-Y67 HydrophobicContact CD-CE1 4.13Å; K62-Y67 HydrophobicContact CD-CE2 4Å; K62-Y67 PolarHBondContact NZ-OH 2.62Å; K62-Y67 VanDerWaalsContact NZ-OH 3.1Å
68Q97.3Very high93.5Very high50 Ų5071.5 Ų71.523%0.23435%0.353CS..EExtended strand (participates in β ladder)trans-131.7148.6-178.3-69174.9-18.700109.7I26 I60 V61I26-Q68 WeakPolarHBondContact O-CG 3.41Å; I26-Q68 PolarHBondContact O-NE2 3.37Å; I60-Q68 WeakPolarHBondContact CA-O 3.3Å; V61-Q68 HydrophobicContact CG2-CB 4.05Å; V61-Q68 PolarHBondContact N-O 2.73Å; V61-Q68 PolarHBondContact O-N 3.45Å
69L95.7Very high93.4Very high16 Ų1677.2 Ų77.28%0.08438%0.375CS..EExtended strand (participates in β ladder)trans-98.3115.2176-174.968.9000110.8V18 L21 Y22 F58 I60 I71V18-L69 HydrophobicContact CG1-CD1 3.95Å; V18-L69 HydrophobicContact CG1-CD2 3.68Å; V18-L69 HydrophobicContact CG1-CG 4.49Å; L21-L69 HydrophobicContact CB-CB 3.73Å; Y22-L69 HydrophobicContact CD2-CD2 4.21Å; F58-L69 HydrophobicContact CB-CD1 4.12Å; F58-L69 HydrophobicContact CD1-CD1 4.37Å; F58-L69 HydrophobicContact CD1-CD2 4.25Å; I60-L69 HydrophobicContact CG1-CD1 4.14Å; L69-I71 HydrophobicContact CD2-CD1 3.92Å; L69-I71 HydrophobicContact CD2-CG1 3.93Å; L69-I71 HydrophobicContact CG-CD1 4.44Å; L69-I71 HydrophobicContact CG-CG1 3.92Å
70Q94.3Very high93.2Very high108 Ų10870.1 Ų70.151%0.50535%0.349SS..EExtended strand (participates in β ladder)trans-88.9126.2165.9-66.1-178.7-18.500109.2R59 V61R59-Q70 HydrophobicContact CB-CB 4.35Å; R59-Q70 PolarHBondContact N-O 3.49Å; R59-Q70 PolarHBondContact O-N 3.23Å; V61-Q70 HydrophobicContact CG1-CG 4.18Å; V61-Q70 HydrophobicContact CG2-CG 3.89Å
71I93.1Very high93.1Very high49 Ų4970.2 Ų70.225%0.25135%0.349SS..EExtended strand (participates in β ladder)trans-112.7133.6177.8-52-178.2000108.3Y22 A57 F58 L69 V75Y22-I71 HydrophobicContact CD2-CD1 3.5Å; Y22-I71 HydrophobicContact CE2-CD1 3.61Å; A57-I71 WeakPolarHBondContact O-CA 3.41Å; F58-I71 HydrophobicContact CD1-CD1 4.38Å; F58-I71 HydrophobicContact CD1-CG1 4.04Å; F58-I71 HydrophobicContact CD1-CG2 4.29Å; F58-I71 HydrophobicContact CE1-CD1 4.14Å; F58-I71 HydrophobicContact CE1-CG1 4.22Å; F58-I71 HydrophobicContact CE1-CG2 4Å; L69-I71 HydrophobicContact CD2-CD1 3.92Å; L69-I71 HydrophobicContact CD2-CG1 3.93Å; L69-I71 HydrophobicContact CG-CD1 4.44Å; L69-I71 HydrophobicContact CG-CG1 3.92Å; I71-V75 HydrophobicContact CG2-CB 4.13Å; I71-V75 HydrophobicContact CG2-CG1 4.5Å; I71-V75 WeakPolarHBondContact CG2-O 3.12Å
72K92.9Very high92.9Very high113 Ų11369.2 Ų69.249%0.49134%0.343SS..  trans-59.4143.5174.1-169.6174.8-171.6173.80110.4D56 A57 V75D56-K72 IonicContact OD2-NZ 2.59Å; D56-K72 PolarHBondContact OD2-NZ 3.31Å; A57-K72 HydrophobicContact CB-CB 4.44Å; A57-K72 PolarHBondContact O-N 3.22Å; K72-V75 HydrophobicContact CB-CG2 4.06Å; K72-V75 PolarHBondContact O-N 2.93Å
73S90.8Very high92.8Very high86 Ų8664.6 Ų64.660%0.60132%0.324SS*.THydrogen-bonded Turntrans-52.8144.4176.5-167.90000111.4V75S73-V75 PolarHBondContact O-N 2.84Å
74H89.5Confident92.7Very high191 Ų19159.2 Ų59.288%0.88431%0.305SS*.THydrogen-bonded Turntrans62.614.3179.8-43.8-70000115.6
75V90.6Very high92.9Very high42 Ų4250.8 Ų50.826%0.25527%0.268SS..  trans-106.3130.5174-176.60000110.7A57 F58 I71 K72 S73 R79A57-V75 HydrophobicContact CB-CB 4.29Å; A57-V75 HydrophobicContact CB-CG1 3.81Å; A57-V75 HydrophobicContact CB-CG2 4.09Å; F58-V75 HydrophobicContact CE2-CG1 4.45Å; F58-V75 HydrophobicContact CZ-CG1 4.1Å; I71-V75 HydrophobicContact CG2-CB 4.13Å; I71-V75 HydrophobicContact CG2-CG1 4.5Å; I71-V75 WeakPolarHBondContact CG2-O 3.12Å; K72-V75 HydrophobicContact CB-CG2 4.06Å; K72-V75 PolarHBondContact O-N 2.93Å; S73-V75 PolarHBondContact O-N 2.84Å; V75-R79 HydrophobicContact CG1-CB 3.54Å; V75-R79 HydrophobicContact CG1-CG 3.91Å
76S89.2Confident92.8Very high63 Ų6352.6 Ų52.644%0.44127%0.266SS..  trans-95.8162.1171.670.50000111.4N78 R79S76-N78 PolarHBondContact O-N 3.01Å; S76-N78 VanDerWaalsContact O-N 3.09Å; S76-N78 WeakPolarHBondContact OG-CB 3.33Å; S76-N78 PolarHBondContact OG-N 3.11Å; S76-R79 WeakPolarHBondContact O-CB 3.43Å; S76-R79 PolarHBondContact O-N 3.18Å
77I89.3Confident92.5Very high13 Ų1354.8 Ų54.87%0.06728%0.275CS..THydrogen-bonded Turntrans-57.8-22.1172.9-170.1159000112.9E19 Y22 R79 L80 Y81E19-I77 HydrophobicContact CG-CD1 4.49Å; Y22-I77 HydrophobicContact CD1-CD1 3.71Å; Y22-I77 HydrophobicContact CD2-CB 3.88Å; Y22-I77 HydrophobicContact CD2-CD1 3.7Å; Y22-I77 HydrophobicContact CD2-CG1 4.2Å; Y22-I77 HydrophobicContact CE1-CB 4.37Å; Y22-I77 HydrophobicContact CE1-CD1 4.21Å; Y22-I77 HydrophobicContact CE1-CG2 4.18Å; Y22-I77 HydrophobicContact CE2-CB 3.56Å; Y22-I77 HydrophobicContact CE2-CD1 4.2Å; Y22-I77 HydrophobicContact CE2-CG1 4.38Å; Y22-I77 HydrophobicContact CE2-CG2 4.09Å; Y22-I77 HydrophobicContact CG-CB 4.43Å; Y22-I77 HydrophobicContact CG-CD1 3.47Å; Y22-I77 VanDerWaalsContact CG-CD1 3.47Å; Y22-I77 HydrophobicContact CG-CG1 4.44Å; I77-R79 PolarHBondContact O-N 3.04Å; I77-L80 HydrophobicContact CD1-CD2 4.4Å; I77-L80 HydrophobicContact CG1-CB 4.32Å; I77-L80 HydrophobicContact CG1-CD2 4.13Å; I77-L80 WeakPolarHBondContact O-CB 3.46Å; I77-L80 PolarHBondContact O-N 3.46Å; I77-Y81 HydrophobicContact CD1-CE2 4.44Å; I77-Y81 HydrophobicContact CG1-CE2 3.83Å; I77-Y81 HydrophobicContact CG2-CE2 4.19Å
78N90.3Very high92.4Very high64 Ų6454.4 Ų54.434%0.34227%0.273SS..Hα-helixtrans-57.3-28.1175.7-61.6-4.1000112.3S76 L80 Y81 A82 F339S76-N78 PolarHBondContact O-N 3.01Å; S76-N78 VanDerWaalsContact O-N 3.09Å; S76-N78 WeakPolarHBondContact OG-CB 3.33Å; S76-N78 PolarHBondContact OG-N 3.11Å; N78-L80 VanDerWaalsContact C-N 3.31Å; N78-L80 PolarHBondContact O-N 3.1Å; N78-Y81 PolarHBondContact O-N 2.97Å; N78-A82 WeakPolarHBondContact O-CB 3.21Å; N78-A82 PolarHBondContact O-N 3.15Å; N78-F339 WeakPolarHBondContact OD1-CE1 3.38Å; N78-F339 WeakPolarHBondContact OD1-CZ 3.49Å
79R91.2Very high92.3Very high119 Ų11953.4 Ų53.445%0.44927%0.271SS..Hα-helixtrans-61.7-38.2173.7-177.662.3-166.3-170.37.1112.7F58 V75 S76 I77 A82 D83F58-R79 HydrophobicContact CE2-CB 4.1Å; F58-R79 HydrophobicContact CE2-CG 4.21Å; F58-R79 HydrophobicContact CZ-CB 4.21Å; V75-R79 HydrophobicContact CG1-CB 3.54Å; V75-R79 HydrophobicContact CG1-CG 3.91Å; S76-R79 WeakPolarHBondContact O-CB 3.43Å; S76-R79 PolarHBondContact O-N 3.18Å; I77-R79 PolarHBondContact O-N 3.04Å; R79-A82 PolarHBondContact O-N 3.46Å; R79-D83 WeakPolarHBondContact CG-OD2 3.47Å; R79-D83 IonicContact CZ-OD1 3.65Å; R79-D83 IonicContact CZ-OD2 3.6Å; R79-D83 VanDerWaalsContact NE-CG 3.3Å; R79-D83 IonicContact NE-OD1 2.73Å; R79-D83 PolarHBondContact NE-OD1 3.11Å; R79-D83 VanDerWaalsContact NE-OD1 3.08Å; R79-D83 IonicContact NE-OD2 2.62Å; R79-D83 PolarHBondContact NE-OD2 3.22Å; R79-D83 IonicContact NH2-OD1 3.67Å; R79-D83 PolarHBondContact NH2-OD1 2.91Å; R79-D83 IonicContact NH2-OD2 3.69Å; R79-D83 WeakPolarHBondContact O-CB 3.42Å; R79-D83 VanDerWaalsContact O-CG 3.31Å; R79-D83 PolarHBondContact O-N 3.45Å
80L91.6Very high92.3Very high6 Ų652.8 Ų52.83%0.03127%0.268CS..Hα-helixtrans-61.4-46.2177.217870.9000111.2L15 V18 F58 I77 N78 D83 T84L15-L80 HydrophobicContact CD1-CD2 3.69Å; L15-L80 HydrophobicContact CD1-CG 3.84Å; V18-L80 HydrophobicContact CB-CD1 4.24Å; V18-L80 HydrophobicContact CB-CD2 3.7Å; V18-L80 HydrophobicContact CG1-CD1 4.11Å; V18-L80 HydrophobicContact CG1-CD2 3.49Å; V18-L80 VanDerWaalsContact CG1-CD2 3.49Å; V18-L80 HydrophobicContact CG1-CG 4.38Å; V18-L80 HydrophobicContact CG2-CD1 4.24Å; F58-L80 HydrophobicContact CD2-CB 4.36Å; F58-L80 HydrophobicContact CD2-CD1 4.32Å; F58-L80 HydrophobicContact CE2-CB 3.72Å; F58-L80 HydrophobicContact CE2-CD1 4.49Å; F58-L80 HydrophobicContact CZ-CB 3.81Å; I77-L80 HydrophobicContact CD1-CD2 4.4Å; I77-L80 HydrophobicContact CG1-CB 4.32Å; I77-L80 HydrophobicContact CG1-CD2 4.13Å; I77-L80 WeakPolarHBondContact O-CB 3.46Å; I77-L80 PolarHBondContact O-N 3.46Å; N78-L80 VanDerWaalsContact C-N 3.31Å; N78-L80 PolarHBondContact O-N 3.1Å; L80-D83 PolarHBondContact O-N 3.07Å; L80-T84 WeakPolarHBondContact O-CB 3.44Å; L80-T84 PolarHBondContact O-N 2.93Å; L80-T84 PolarHBondContact O-OG1 3.22Å
81Y93.3Very high92.4Very high6 Ų647.7 Ų47.72%0.02424%0.244CC..Hα-helixtrans-64.8-46.2178-57-59.4000111.1L15 E19 I77 N78 D83 T84 I85 L338 F339L15-Y81 HydrophobicContact CD1-CD1 3.77Å; L15-Y81 HydrophobicContact CD1-CE1 3.77Å; E19-Y81 VanDerWaalsContact OE1-CE1 3.26Å; E19-Y81 WeakPolarHBondContact OE1-CE1 3.44Å; E19-Y81 PolarHBondContact OE1-OH 3.28Å; I77-Y81 HydrophobicContact CD1-CE2 4.44Å; I77-Y81 HydrophobicContact CG1-CE2 3.83Å; I77-Y81 HydrophobicContact CG2-CE2 4.19Å; N78-Y81 PolarHBondContact O-N 2.97Å; Y81-D83 PolarHBondContact O-N 2.94Å; Y81-T84 PolarHBondContact O-N 2.83Å; Y81-I85 WeakPolarHBondContact O-CG1 3.25Å; Y81-I85 PolarHBondContact O-N 3.3Å; Y81-L338 HydrophobicContact CD1-CB 3.73Å; Y81-L338 HydrophobicContact CD1-CD1 4.45Å; Y81-L338 HydrophobicContact CE1-CB 4.43Å; Y81-L338 HydrophobicContact CG-CB 4.39Å; Y81-F339 HydrophobicContact CD2-CB 3.89Å; Y81-F339 AromaticContact CD2-CD2 3.79Å; Y81-F339 HydrophobicContact CD2-CD2 3.79Å; Y81-F339 HydrophobicContact CD2-CE2 4.49Å; Y81-F339 AromaticContact CD2-CG 3.93Å; Y81-F339 HydrophobicContact CD2-CG 3.93Å; Y81-F339 HydrophobicContact CE2-CB 4.06Å; Y81-F339 AromaticContact CE2-CD2 3.16Å; Y81-F339 HydrophobicContact CE2-CD2 3.16Å; Y81-F339 AromaticContact CE2-CE2 3.72Å; Y81-F339 HydrophobicContact CE2-CE2 3.72Å; Y81-F339 AromaticContact CE2-CG 3.8Å; Y81-F339 HydrophobicContact CE2-CG 3.8Å; Y81-F339 HydrophobicContact CG-CB 4.26Å; Y81-F339 AromaticContact CZ-CD2 3.69Å
82A93.1Very high92.6Very high8 Ų848 Ų487%0.06624%0.244CC..Hα-helixtrans-56.3-48.1176.200000112.1N78 R79 I85 Q86 E161 K162N78-A82 WeakPolarHBondContact O-CB 3.21Å; N78-A82 PolarHBondContact O-N 3.15Å; R79-A82 PolarHBondContact O-N 3.46Å; A82-I85 PolarHBondContact O-N 3.35Å; A82-Q86 WeakPolarHBondContact O-CB 3.31Å; A82-Q86 VanDerWaalsContact O-CG 3.23Å; A82-Q86 WeakPolarHBondContact O-CG 3.39Å; A82-Q86 PolarHBondContact O-N 2.82Å; A82-Q86 PolarHBondContact O-NE2 2.97Å; A82-E161 VanDerWaalsContact CA-O 3.3Å; A82-E161 WeakPolarHBondContact CA-O 3.41Å; A82-E161 WeakPolarHBondContact CB-O 3.42Å; A82-K162 VanDerWaalsContact CB-O 3.27Å; A82-K162 WeakPolarHBondContact CB-O 3.33Å
83D91.8Very high92.9Very high13 Ų1342.7 Ų42.77%0.0722%0.221CC..Hα-helixtrans-65-40.9178.3-73.4-30000111.5R79 L80 Y81 I85 Q86 Q87R79-D83 WeakPolarHBondContact CG-OD2 3.47Å; R79-D83 IonicContact CZ-OD1 3.65Å; R79-D83 IonicContact CZ-OD2 3.6Å; R79-D83 VanDerWaalsContact NE-CG 3.3Å; R79-D83 IonicContact NE-OD1 2.73Å; R79-D83 PolarHBondContact NE-OD1 3.11Å; R79-D83 VanDerWaalsContact NE-OD1 3.08Å; R79-D83 IonicContact NE-OD2 2.62Å; R79-D83 PolarHBondContact NE-OD2 3.22Å; R79-D83 IonicContact NH2-OD1 3.67Å; R79-D83 PolarHBondContact NH2-OD1 2.91Å; R79-D83 IonicContact NH2-OD2 3.69Å; R79-D83 WeakPolarHBondContact O-CB 3.42Å; R79-D83 VanDerWaalsContact O-CG 3.31Å; R79-D83 PolarHBondContact O-N 3.45Å; L80-D83 PolarHBondContact O-N 3.07Å; Y81-D83 PolarHBondContact O-N 2.94Å; D83-I85 PolarHBondContact O-N 3.07Å; D83-Q86 PolarHBondContact O-N 3.27Å; D83-Q87 WeakPolarHBondContact O-CB 3.31Å; D83-Q87 VanDerWaalsContact O-CG 3.25Å; D83-Q87 WeakPolarHBondContact O-CG 3.43Å; D83-Q87 PolarHBondContact O-N 3.49Å
84T93.3Very high93.2Very high19 Ų1938.8 Ų38.812%0.11719%0.193CC..Hα-helixtrans-61.2-44.7175.9-580000111.4L7 L80 Y81 S88 L338L7-T84 HydrophobicContact CD1-CG2 4.37Å; L7-T84 HydrophobicContact CD2-CG2 4.22Å; L80-T84 WeakPolarHBondContact O-CB 3.44Å; L80-T84 PolarHBondContact O-N 2.93Å; L80-T84 PolarHBondContact O-OG1 3.22Å; Y81-T84 PolarHBondContact O-N 2.83Å; T84-S88 WeakPolarHBondContact O-CB 3.26Å; T84-S88 PolarHBondContact O-N 3.1Å; T84-L338 HydrophobicContact CG2-CD1 3.69Å
85I94.7Very high93.5Very high0 Ų030.9 Ų30.90%016%0.157CC..Hα-helixtrans-63.9-44.8177.7-70.6167.3000110.9Y81 A82 D83 F91 Y158 E161 K162 I337 L338Y81-I85 WeakPolarHBondContact O-CG1 3.25Å; Y81-I85 PolarHBondContact O-N 3.3Å; A82-I85 PolarHBondContact O-N 3.35Å; D83-I85 PolarHBondContact O-N 3.07Å; I85-F91 HydrophobicContact CB-CD2 4.4Å; I85-F91 HydrophobicContact CB-CG 4.39Å; I85-F91 HydrophobicContact CG1-CD1 4.48Å; I85-F91 HydrophobicContact CG1-CD2 4.08Å; I85-F91 HydrophobicContact CG1-CE2 4.13Å; I85-F91 HydrophobicContact CG1-CG 4.27Å; I85-F91 HydrophobicContact CG1-CZ 4.35Å; I85-F91 HydrophobicContact CG2-CB 4.09Å; I85-F91 HydrophobicContact CG2-CD1 4.46Å; I85-F91 HydrophobicContact CG2-CG 4.18Å; I85-F91 WeakPolarHBondContact O-CB 2.92Å; I85-Y158 HydrophobicContact CG2-CD2 4.18Å; I85-Y158 HydrophobicContact CG2-CE2 3.42Å; I85-Y158 VanDerWaalsContact CG2-CE2 3.42Å; I85-E161 HydrophobicContact CD1-CB 3.48Å; I85-E161 VanDerWaalsContact CD1-CB 3.48Å; I85-K162 HydrophobicContact CG2-CB 3.82Å; I85-K162 HydrophobicContact CG2-CD 4.45Å; I85-K162 HydrophobicContact CG2-CG 3.95Å; I85-I337 HydrophobicContact CD1-CG2 3.87Å; I85-I337 HydrophobicContact CG1-CG2 4.44Å; I85-L338 HydrophobicContact CD1-CD1 4.28Å; I85-L338 HydrophobicContact CG1-CD1 3.72Å; I85-L338 HydrophobicContact CG1-CG 4.31Å
86Q92.4Very high93.8Very high78 Ų7830.2 Ų30.236%0.36415%0.151SC..Hα-helixtrans-69.3-34.2-176.9-71.8173.649.100113.2A82 D83 Q92 K162A82-Q86 WeakPolarHBondContact O-CB 3.31Å; A82-Q86 VanDerWaalsContact O-CG 3.23Å; A82-Q86 WeakPolarHBondContact O-CG 3.39Å; A82-Q86 PolarHBondContact O-N 2.82Å; A82-Q86 PolarHBondContact O-NE2 2.97Å; D83-Q86 PolarHBondContact O-N 3.27Å; Q86-Q92 PolarHBondContact O-NE2 3.39Å; Q86-K162 HydrophobicContact CG-CD 4.49Å; Q86-K162 HydrophobicContact CG-CG 3.83Å; Q86-K162 PolarHBondContact NE2-O 3.43Å
87Q91.2Very high94.3Very high99 Ų9927.4 Ų27.446%0.46313%0.131SC..Hα-helixtrans-92.9-20.5-174.7-64.7174.57.800113.5D83 P89D83-Q87 WeakPolarHBondContact O-CB 3.31Å; D83-Q87 VanDerWaalsContact O-CG 3.25Å; D83-Q87 WeakPolarHBondContact O-CG 3.43Å; D83-Q87 PolarHBondContact O-N 3.49Å; Q87-P89 WeakPolarHBondContact O-CD 3.32Å
88S94Very high94.7Very high0 Ų026.8 Ų26.80%013%0.128CC..  trans-76123.4-175.9176.10000111.8T84 E90 F91 Q92T84-S88 WeakPolarHBondContact O-CB 3.26Å; T84-S88 PolarHBondContact O-N 3.1Å; S88-E90 PolarHBondContact O-N 2.69Å; S88-E90 PolarHBondContact OG-N 3.22Å; S88-E90 PolarHBondContact OG-OE2 3.26Å; S88-F91 PolarHBondContact O-N 2.64Å; S88-F91 VanDerWaalsContact O-N 3.11Å; S88-Q92 WeakPolarHBondContact O-CG 3.36Å; S88-Q92 PolarHBondContact O-N 3.27Å
89P95.5Very high94.9Very high29 Ų2925 Ų2519%0.18812%0.117CC..Hα-helixtrans-56.8-32.5175.3-26.836000113.2Q87 I93 L114Q87-P89 WeakPolarHBondContact O-CD 3.32Å; P89-I93 WeakPolarHBondContact O-CD1 3.47Å; P89-I93 WeakPolarHBondContact O-CG1 3.36Å; P89-I93 PolarHBondContact O-N 2.93Å; P89-L114 HydrophobicContact CB-CD1 3.91Å; P89-L114 HydrophobicContact CB-CD2 4.13Å; P89-L114 HydrophobicContact CG-CD2 4.28Å
90E96.6Very high95.2Very high3 Ų320.5 Ų20.51%0.01410%0.1CC..Hα-helixtrans-67.1-38.6179.2-63.881.4-16800112.2I6 S88 I94 K118 N122 I126I6-E90 HydrophobicContact CB-CB 4.44Å; I6-E90 HydrophobicContact CD1-CB 3.7Å; I6-E90 HydrophobicContact CG1-CB 4.36Å; I6-E90 WeakPolarHBondContact O-CG 3.48Å; S88-E90 PolarHBondContact O-N 2.69Å; S88-E90 PolarHBondContact OG-N 3.22Å; S88-E90 PolarHBondContact OG-OE2 3.26Å; E90-I94 PolarHBondContact O-N 3.2Å; E90-K118 IonicContact OE1-NZ 2.83Å; E90-K118 PolarHBondContact OE1-NZ 3.39Å; E90-N122 HydrophobicContact CG-CB 4.11Å; E90-N122 WeakPolarHBondContact CG-ND2 3.48Å; E90-N122 PolarHBondContact OE1-ND2 3.43Å; E90-N122 PolarHBondContact OE1-OD1 3.07Å; E90-N122 VanDerWaalsContact OE1-OD1 3.13Å; E90-I126 WeakPolarHBondContact O-CD1 3.37Å
91F97Very high95.4Very high0 Ų025.3 Ų25.30%012%0.123CC..Hα-helixtrans-78.8-30.9176.6-80-61.7000113.4F3 I6 L7 I85 S88 I93 I94 E95 Y158 I337 L338F3-F91 HydrophobicContact CB-CE1 3.76Å; F3-F91 HydrophobicContact CB-CZ 3.75Å; F3-F91 HydrophobicContact CD1-CE1 4.21Å; F3-F91 HydrophobicContact CG-CE1 4.17Å; I6-F91 HydrophobicContact CD1-CD1 4.08Å; I6-F91 HydrophobicContact CD1-CD2 4.5Å; I6-F91 HydrophobicContact CD1-CE1 3.91Å; I6-F91 HydrophobicContact CD1-CE2 4.35Å; I6-F91 HydrophobicContact CD1-CG 4.37Å; I6-F91 HydrophobicContact CD1-CZ 4.06Å; I6-F91 HydrophobicContact CG1-CZ 4.49Å; L7-F91 HydrophobicContact CD2-CD2 4.09Å; L7-F91 HydrophobicContact CD2-CE2 3.72Å; L7-F91 HydrophobicContact CG-CE2 4.22Å; I85-F91 HydrophobicContact CB-CD2 4.4Å; I85-F91 HydrophobicContact CB-CG 4.39Å; I85-F91 HydrophobicContact CG1-CD1 4.48Å; I85-F91 HydrophobicContact CG1-CD2 4.08Å; I85-F91 HydrophobicContact CG1-CE2 4.13Å; I85-F91 HydrophobicContact CG1-CG 4.27Å; I85-F91 HydrophobicContact CG1-CZ 4.35Å; I85-F91 HydrophobicContact CG2-CB 4.09Å; I85-F91 HydrophobicContact CG2-CD1 4.46Å; I85-F91 HydrophobicContact CG2-CG 4.18Å; I85-F91 WeakPolarHBondContact O-CB 2.92Å; S88-F91 PolarHBondContact O-N 2.64Å; S88-F91 VanDerWaalsContact O-N 3.11Å; F91-I93 VanDerWaalsContact C-N 3.31Å; F91-I94 HydrophobicContact CD1-CD1 3.77Å; F91-I94 HydrophobicContact CE1-CD1 4.1Å; F91-I94 PolarHBondContact O-N 3.34Å; F91-E95 PolarHBondContact O-N 2.82Å; F91-E95 VanDerWaalsContact O-N 3.12Å; F91-Y158 HydrophobicContact CB-CE2 4.07Å; F91-Y158 AromaticContact CD1-CD2 3.98Å; F91-Y158 HydrophobicContact CD1-CD2 3.98Å; F91-Y158 AromaticContact CD1-CE2 3.69Å; F91-Y158 HydrophobicContact CD1-CE2 3.69Å; F91-Y158 HydrophobicContact CE1-CD2 4.48Å; F91-Y158 HydrophobicContact CG-CE2 4.24Å; F91-Y158 PolarHBondContact O-OH 3.43Å; F91-I337 HydrophobicContact CE1-CG2 3.65Å; F91-I337 HydrophobicContact CZ-CG2 3.93Å; F91-L338 HydrophobicContact CE2-CD1 3.87Å; F91-L338 HydrophobicContact CE2-CD2 3.83Å; F91-L338 HydrophobicContact CE2-CG 3.93Å; F91-L338 HydrophobicContact CZ-CD1 4.24Å; F91-L338 HydrophobicContact CZ-CD2 3.74Å; F91-L338 HydrophobicContact CZ-CG 3.81Å
92Q96.5Very high95.6Very high57 Ų5725.3 Ų25.327%0.26612%0.124SC..Hα-helixtrans-61.9-41.8169.9-69.7171-6.500110.8Q86 S88 I94 E95 E96 L112Q86-Q92 PolarHBondContact O-NE2 3.39Å; S88-Q92 WeakPolarHBondContact O-CG 3.36Å; S88-Q92 PolarHBondContact O-N 3.27Å; Q92-I94 PolarHBondContact O-N 3.33Å; Q92-E95 PolarHBondContact O-N 3.02Å; Q92-E96 WeakPolarHBondContact O-CG 3.2Å; Q92-E96 PolarHBondContact O-N 3.02Å; Q92-L112 HydrophobicContact CB-CD1 4.12Å; Q92-L112 HydrophobicContact CB-CD2 4.03Å
93I98Very high95.8Very high0 Ų030.3 Ų30.30%015%0.146CC..Hα-helixtrans-60.4-45.7173.7-69.8166.5000111.2P89 F91 E95 E96 L97 L108 L112 L114 T119 N122 L123 I126P89-I93 WeakPolarHBondContact O-CD1 3.47Å; P89-I93 WeakPolarHBondContact O-CG1 3.36Å; P89-I93 PolarHBondContact O-N 2.93Å; F91-I93 VanDerWaalsContact C-N 3.31Å; I93-E95 VanDerWaalsContact C-N 3.26Å; I93-E95 PolarHBondContact O-N 3.45Å; I93-E96 PolarHBondContact O-N 3.02Å; I93-L97 HydrophobicContact CG2-CD1 4.12Å; I93-L97 HydrophobicContact CG2-CG 4.42Å; I93-L97 VanDerWaalsContact O-CG 3.29Å; I93-L97 WeakPolarHBondContact O-CG 3.02Å; I93-L97 PolarHBondContact O-N 2.84Å; I93-L108 HydrophobicContact CG1-CD2 4.16Å; I93-L108 HydrophobicContact CG2-CD2 3.99Å; I93-L112 HydrophobicContact CB-CD1 4.42Å; I93-L112 HydrophobicContact CG1-CD1 3.49Å; I93-L112 VanDerWaalsContact CG1-CD1 3.49Å; I93-L114 HydrophobicContact CD1-CD1 4.34Å; I93-T119 HydrophobicContact CD1-CG2 4.31Å; I93-N122 HydrophobicContact CD1-CB 3.49Å; I93-N122 VanDerWaalsContact CD1-CB 3.49Å; I93-L123 HydrophobicContact CG2-CD2 3.49Å; I93-L123 VanDerWaalsContact CG2-CD2 3.49Å; I93-L123 HydrophobicContact CG2-CG 4.22Å; I93-I126 HydrophobicContact CB-CD1 3.84Å; I93-I126 HydrophobicContact CG2-CD1 3.52Å
94I97.6Very high96Very high4 Ų432.2 Ų32.22%0.02116%0.156CC..Hα-helixtrans-55.6-43.8178-74.5164.5000111.6F3 I6 E90 F91 Q92 L97 I126 Y155 Y158F3-I94 HydrophobicContact CD1-CD1 3.4Å; F3-I94 HydrophobicContact CE1-CD1 3.35Å; F3-I94 HydrophobicContact CE1-CG1 4.26Å; F3-I94 HydrophobicContact CZ-CD1 4.5Å; I6-I94 HydrophobicContact CD1-CD1 3.36Å; E90-I94 PolarHBondContact O-N 3.2Å; F91-I94 HydrophobicContact CD1-CD1 3.77Å; F91-I94 HydrophobicContact CE1-CD1 4.1Å; F91-I94 PolarHBondContact O-N 3.34Å; Q92-I94 PolarHBondContact O-N 3.33Å; I94-L97 WeakPolarHBondContact O-CB 3.44Å; I94-L97 PolarHBondContact O-N 3.14Å; I94-I126 HydrophobicContact CD1-CG1 4.4Å; I94-I126 HydrophobicContact CG1-CD1 4.08Å; I94-I126 HydrophobicContact CG1-CG1 4.21Å; I94-I126 HydrophobicContact CG1-CG2 3.98Å; I94-Y155 HydrophobicContact CG2-CE1 3.93Å; I94-Y155 VanDerWaalsContact O-CE1 3.31Å; I94-Y155 WeakPolarHBondContact O-CE1 3.41Å; I94-Y155 PolarHBondContact O-OH 3.11Å; I94-Y158 HydrophobicContact CG2-CD2 4.31Å; I94-Y158 HydrophobicContact CG2-CE2 4.44Å
95E96.8Very high96.2Very high25 Ų2533 Ų3312%0.11716%0.159CC..Hα-helixtrans-67.8-42.7179.1-169.8176.7-177.900112.2F91 Q92 I93 L97 L98 Y99 Y158 F159 K162F91-E95 PolarHBondContact O-N 2.82Å; F91-E95 VanDerWaalsContact O-N 3.12Å; Q92-E95 PolarHBondContact O-N 3.02Å; I93-E95 VanDerWaalsContact C-N 3.26Å; I93-E95 PolarHBondContact O-N 3.45Å; E95-L97 PolarHBondContact O-N 3.27Å; E95-L98 VanDerWaalsContact O-CB 3.26Å; E95-L98 WeakPolarHBondContact O-CB 3.33Å; E95-L98 PolarHBondContact O-N 2.92Å; E95-Y99 HydrophobicContact CG-CE2 3.69Å; E95-Y99 PolarHBondContact OE1-OH 3.36Å; E95-Y158 HydrophobicContact CB-CE1 4.15Å; E95-Y158 HydrophobicContact CG-CE1 4.19Å; E95-Y158 PolarHBondContact OE2-OH 2.8Å; E95-F159 HydrophobicContact CG-CE1 4.26Å; E95-F159 HydrophobicContact CG-CZ 4.33Å; E95-K162 IonicContact OE1-NZ 3.32Å; E95-K162 PolarHBondContact OE1-NZ 3.2Å; E95-K162 IonicContact OE2-NZ 3.79Å; E95-K162 PolarHBondContact OE2-NZ 3.14Å
96E97.3Very high96.4Very high29 Ų2937.5 Ų37.514%0.13618%0.182CC..Hα-helixtrans-61-29.6176.2-71.4-58.5154.500113.2Q92 I93 L98 Y99 E100 L108 K111 L112Q92-E96 WeakPolarHBondContact O-CG 3.2Å; Q92-E96 PolarHBondContact O-N 3.02Å; I93-E96 PolarHBondContact O-N 3.02Å; E96-L98 PolarHBondContact O-N 3.19Å; E96-Y99 PolarHBondContact O-N 2.98Å; E96-E100 PolarHBondContact O-N 3.34Å; E96-L108 HydrophobicContact CB-CD1 3.74Å; E96-L108 HydrophobicContact CG-CD1 4.03Å; E96-K111 VanDerWaalsContact CD-CE 3.46Å; E96-K111 VanDerWaalsContact OE1-CE 3.31Å; E96-K111 WeakPolarHBondContact OE1-CE 3.39Å; E96-K111 IonicContact OE1-NZ 3.81Å; E96-K111 PolarHBondContact OE1-NZ 2.98Å; E96-K111 WeakPolarHBondContact OE2-CD 3.33Å; E96-K111 WeakPolarHBondContact OE2-CE 3.44Å; E96-K111 IonicContact OE2-NZ 2.85Å; E96-K111 PolarHBondContact OE2-NZ 3.18Å; E96-L112 HydrophobicContact CG-CD1 4.33Å; E96-L112 HydrophobicContact CG-CD2 4Å; E96-L112 HydrophobicContact CG-CG 4.39Å
97L98.2Very high96.6Very high3 Ų336.5 Ų36.52%0.01618%0.179CC..Hα-helixtrans-68.3-19.1174.2-67.7169.3000113.6I93 I94 E95 E100 L123 L137 L142 L144I93-L97 HydrophobicContact CG2-CD1 4.12Å; I93-L97 HydrophobicContact CG2-CG 4.42Å; I93-L97 VanDerWaalsContact O-CG 3.29Å; I93-L97 WeakPolarHBondContact O-CG 3.02Å; I93-L97 PolarHBondContact O-N 2.84Å; I94-L97 WeakPolarHBondContact O-CB 3.44Å; I94-L97 PolarHBondContact O-N 3.14Å; E95-L97 PolarHBondContact O-N 3.27Å; L97-E100 WeakPolarHBondContact O-CG 3.4Å; L97-L123 HydrophobicContact CD1-CD2 4.31Å; L97-L123 HydrophobicContact CD2-CD2 4.46Å; L97-L137 HydrophobicContact CD1-CD1 3.88Å; L97-L137 HydrophobicContact CD2-CD1 3.62Å; L97-L137 HydrophobicContact CG-CD1 4.41Å; L97-L142 HydrophobicContact CD2-CB 3.85Å; L97-L144 HydrophobicContact CB-CG 4.17Å; L97-L144 HydrophobicContact CD1-CD2 4.02Å; L97-L144 HydrophobicContact CD1-CG 4.5Å
98L97.5Very high97Very high0 Ų031.9 Ų31.90%016%0.158CC..Hα-helixtrans-73.1-41.8172175.460.6000111E95 E96 E100 Y155 F159 I210 W213 R214E95-L98 VanDerWaalsContact O-CB 3.26Å; E95-L98 WeakPolarHBondContact O-CB 3.33Å; E95-L98 PolarHBondContact O-N 2.92Å; E96-L98 PolarHBondContact O-N 3.19Å; L98-E100 VanDerWaalsContact C-N 3.33Å; L98-Y155 HydrophobicContact CB-CD1 4.25Å; L98-Y155 HydrophobicContact CB-CE1 3.72Å; L98-Y155 HydrophobicContact CB-CE2 4.05Å; L98-Y155 HydrophobicContact CD1-CD2 3.87Å; L98-Y155 HydrophobicContact CD1-CE2 3.89Å; L98-Y155 HydrophobicContact CD1-CG 4.27Å; L98-Y155 HydrophobicContact CD2-CD1 4.23Å; L98-Y155 HydrophobicContact CD2-CG 4.37Å; L98-Y155 HydrophobicContact CG-CE2 4.5Å; L98-Y155 PolarHBondContact N-OH 2.81Å; L98-Y155 VanDerWaalsContact N-OH 3.15Å; L98-F159 HydrophobicContact CD2-CE2 3.65Å; L98-F159 HydrophobicContact CD2-CZ 3.78Å; L98-I210 HydrophobicContact CD1-CG2 4.27Å; L98-W213 HydrophobicContact CD1-CB 3.99Å; L98-W213 HydrophobicContact CG-CB 4.04Å; L98-W213 HydrophobicContact CG-CG 4.41Å; L98-R214 HydrophobicContact CD1-CG 4.3Å
99Y95.8Very high97.2Very high28 Ų2832.1 Ų32.111%0.1116%0.159CC..Hα-helixtrans-75.9-26.3-173.5-54.3-43.9000112.1E95 E96 E101 W213 N217E95-Y99 HydrophobicContact CG-CE2 3.69Å; E95-Y99 PolarHBondContact OE1-OH 3.36Å; E96-Y99 PolarHBondContact O-N 2.98Å; Y99-E101 PolarHBondContact O-N 3.16Å; Y99-W213 AromaticContact CD1-CD2 3.55Å; Y99-W213 HydrophobicContact CD1-CD2 3.55Å; Y99-W213 AromaticContact CD1-CE2 3.38Å; Y99-W213 AromaticContact CD1-CE3 3.79Å; Y99-W213 HydrophobicContact CD1-CE3 3.79Å; Y99-W213 HydrophobicContact CD1-CG 4.08Å; Y99-W213 AromaticContact CD1-CH2 3.78Å; Y99-W213 HydrophobicContact CD1-CH2 3.78Å; Y99-W213 AromaticContact CD1-CZ2 3.57Å; Y99-W213 HydrophobicContact CD1-CZ2 3.57Å; Y99-W213 AromaticContact CD1-CZ3 3.85Å; Y99-W213 HydrophobicContact CD1-CZ3 3.85Å; Y99-W213 AromaticContact CD1-NE1 3.76Å; Y99-W213 HydrophobicContact CE1-CD2 4.14Å; Y99-W213 AromaticContact CE1-CE2 3.64Å; Y99-W213 HydrophobicContact CE1-CG 4.39Å; Y99-W213 AromaticContact CE1-CZ2 3.93Å; Y99-W213 HydrophobicContact CE1-CZ2 3.93Å; Y99-W213 AromaticContact CE1-NE1 3.54Å; Y99-W213 HydrophobicContact CG-CE3 4.48Å; Y99-W213 HydrophobicContact CG-CH2 4.21Å; Y99-W213 HydrophobicContact CG-CZ2 4.38Å; Y99-W213 HydrophobicContact CG-CZ3 4.22Å; Y99-N217 PolarHBondContact O-ND2 3.26Å
100E97.1Very high97.3Very high23 Ų2337.3 Ų37.311%0.10718%0.179CC..THydrogen-bonded Turntrans55.236179.2-55.7178-13900112.9E96 L97 L98 R143 R214 N217 H219E96-E100 PolarHBondContact O-N 3.34Å; L97-E100 WeakPolarHBondContact O-CG 3.4Å; L98-E100 VanDerWaalsContact C-N 3.33Å; E100-R143 VanDerWaalsContact CD-CB 3.42Å; E100-R143 HydrophobicContact CG-CB 3.71Å; E100-R143 WeakPolarHBondContact OE2-CB 3.27Å; E100-R143 WeakPolarHBondContact OE2-CD 3.44Å; E100-R214 IonicContact OE1-CZ 3.57Å; E100-R214 IonicContact OE1-NH1 3.13Å; E100-R214 PolarHBondContact OE1-NH1 3.16Å; E100-N217 HydrophobicContact CB-CB 4.4Å; E100-N217 WeakPolarHBondContact CB-ND2 3.29Å; E100-N217 HydrophobicContact CG-CB 4.4Å; E100-H219 VanDerWaalsContact CD-NE2 3.31Å; E100-H219 IonicContact OE1-CD2 2.99Å; E100-H219 PolarHBondContact OE1-CD2 3.05Å; E100-H219 IonicContact OE1-NE2 2.73Å; E100-H219 PolarHBondContact OE1-NE2 2.93Å; E100-H219 IonicContact OE2-CD2 2.79Å; E100-H219 IonicContact OE2-NE2 2.73Å; E100-H219 PolarHBondContact OE2-NE2 3Å
101E95.6Very high97.4Very high107 Ų10740.9 Ų40.950%0.520%0.195SC..  trans-89.3-4.5-179.3-62.8-173.9154.500113.6Y99 K111Y99-E101 PolarHBondContact O-N 3.16Å; E101-K111 IonicContact OE2-NZ 3.02Å; E101-K111 PolarHBondContact OE2-NZ 2.67Å
102C97.5Very high97.4Very high6 Ų642 Ų424%0.04120%0.201CC..  trans-110.4118.2-177.9-63.70000111N104 D107 L108 L142C102-N104 VanDerWaalsContact C-N 3.33Å; C102-N104 PolarHBondContact O-N 3.27Å; C102-D107 HydrophobicContact CB-CB 4.37Å; C102-L108 HydrophobicContact CB-CB 4Å; C102-L142 HydrophobicContact CB-CD1 3.97Å; C102-L142 WeakPolarHBondContact O-CB 3.42Å; C102-L142 PolarHBondContact O-N 2.77Å; C102-L142 VanDerWaalsContact O-N 3.11Å
103E96.7Very high97.4Very high113 Ų11348.5 Ų48.553%0.52823%0.228SC..SBendtrans-69.8-30-179.9-70.9-64.5155.800113.1P141E103-P141 WeakPolarHBondContact O-CA 3.45Å
104N97Very high97.3Very high54 Ų5450.4 Ų50.429%0.28924%0.238SC..SBendtrans-159.2176.6-174.861.371.8000111.9C102 I106 D107 L108 L142C102-N104 VanDerWaalsContact C-N 3.33Å; C102-N104 PolarHBondContact O-N 3.27Å; N104-I106 VanDerWaalsContact C-N 3.25Å; N104-I106 PolarHBondContact O-N 2.9Å; N104-I106 WeakPolarHBondContact OD1-CA 3.16Å; N104-I106 VanDerWaalsContact OD1-CB 3.24Å; N104-I106 WeakPolarHBondContact OD1-CB 3.27Å; N104-I106 PolarHBondContact OD1-N 3.14Å; N104-D107 PolarHBondContact ND2-OD2 3.47Å; N104-D107 PolarHBondContact O-N 3.01Å; N104-D107 PolarHBondContact OD1-N 3.38Å; N104-L108 PolarHBondContact O-N 3.2Å; N104-L108 VanDerWaalsContact O-N 3.16Å; N104-L142 VanDerWaalsContact O-CD1 3.29Å; N104-L142 WeakPolarHBondContact O-CD1 3.15Å
105I97.7Very high97.4Very high35 Ų3553.2 Ų53.218%0.17926%0.258CS..Hα-helixtrans-58.1-34.8-177.9-57.2179.7000112.5S109 T119 Q120 L123 Y139I105-S109 VanDerWaalsContact O-CB 3.23Å; I105-S109 WeakPolarHBondContact O-CB 3.35Å; I105-S109 PolarHBondContact O-N 3.12Å; I105-S109 PolarHBondContact O-OG 2.72Å; I105-T119 HydrophobicContact CG2-CG2 3.93Å; I105-Q120 HydrophobicContact CD1-CB 4.14Å; I105-Q120 HydrophobicContact CD1-CG 4.02Å; I105-Q120 HydrophobicContact CG2-CB 4.33Å; I105-L123 HydrophobicContact CD1-CD1 4.28Å; I105-L123 HydrophobicContact CG1-CD1 3.83Å; I105-Y139 HydrophobicContact CD1-CD1 3.95Å; I105-Y139 HydrophobicContact CD1-CE1 3.99Å; I105-Y139 HydrophobicContact CG1-CD1 4.07Å; I105-Y139 HydrophobicContact CG1-CE1 4.39Å
106I97.9Very high97.4Very high94 Ų9455.2 Ų55.248%0.48227%0.273SS..Hα-helixtrans-67-45.9-178.8-60172.1000109.4N104 S109 K110N104-I106 VanDerWaalsContact C-N 3.25Å; N104-I106 PolarHBondContact O-N 2.9Å; N104-I106 WeakPolarHBondContact OD1-CA 3.16Å; N104-I106 VanDerWaalsContact OD1-CB 3.24Å; N104-I106 WeakPolarHBondContact OD1-CB 3.27Å; N104-I106 PolarHBondContact OD1-N 3.14Å; I106-S109 WeakPolarHBondContact CA-OG 3.38Å; I106-S109 PolarHBondContact O-N 3.3Å; I106-S109 PolarHBondContact O-OG 3.47Å; I106-K110 HydrophobicContact CG2-CD 4.35Å; I106-K110 WeakPolarHBondContact O-CG 3.47Å; I106-K110 PolarHBondContact O-N 3.47Å
107D98Very high97.4Very high58 Ų5857.5 Ų57.531%0.3129%0.293SS..Hα-helixtrans-64-45.5-179.8-59.5-32.7000111.2C102 N104 S109 K110 K111C102-D107 HydrophobicContact CB-CB 4.37Å; N104-D107 PolarHBondContact ND2-OD2 3.47Å; N104-D107 PolarHBondContact O-N 3.01Å; N104-D107 PolarHBondContact OD1-N 3.38Å; D107-S109 VanDerWaalsContact C-N 3.34Å; D107-S109 PolarHBondContact O-N 3.22Å; D107-K110 PolarHBondContact O-N 2.93Å; D107-K111 PolarHBondContact O-N 2.6Å
108L98.3Very high97.3Very high2 Ų260.2 Ų60.21%0.0130%0.304CS..Hα-helixtrans-60.8-41.8174.6179.862.3000112.3I93 E96 C102 N104 K110 K111 L112 T119 L123 L142I93-L108 HydrophobicContact CG1-CD2 4.16Å; I93-L108 HydrophobicContact CG2-CD2 3.99Å; E96-L108 HydrophobicContact CB-CD1 3.74Å; E96-L108 HydrophobicContact CG-CD1 4.03Å; C102-L108 HydrophobicContact CB-CB 4Å; N104-L108 PolarHBondContact O-N 3.2Å; N104-L108 VanDerWaalsContact O-N 3.16Å; L108-K110 VanDerWaalsContact C-N 3.33Å; L108-K110 PolarHBondContact O-N 3.35Å; L108-K111 PolarHBondContact O-N 3.04Å; L108-L112 HydrophobicContact CD1-CD1 3.68Å; L108-L112 HydrophobicContact CD1-CG 4.07Å; L108-L112 HydrophobicContact CG-CD1 4.28Å; L108-L112 PolarHBondContact O-N 2.77Å; L108-T119 HydrophobicContact CB-CG2 4.27Å; L108-T119 HydrophobicContact CD2-CG2 3.65Å; L108-T119 HydrophobicContact CG-CG2 3.86Å; L108-L123 HydrophobicContact CD2-CD1 4.16Å; L108-L123 HydrophobicContact CD2-CD2 4.14Å; L108-L123 HydrophobicContact CD2-CG 4.39Å; L108-L142 HydrophobicContact CB-CD1 3.72Å; L108-L142 HydrophobicContact CD2-CD1 3.78Å; L108-L142 HydrophobicContact CG-CD1 4.36Å
109S98.2Very high97.3Very high5 Ų560.2 Ų60.24%0.03530%0.304CS..Hα-helixtrans-63.3-39178.674.60000112.3I105 I106 D107 F113 L114 T119I105-S109 VanDerWaalsContact O-CB 3.23Å; I105-S109 WeakPolarHBondContact O-CB 3.35Å; I105-S109 PolarHBondContact O-N 3.12Å; I105-S109 PolarHBondContact O-OG 2.72Å; I106-S109 WeakPolarHBondContact CA-OG 3.38Å; I106-S109 PolarHBondContact O-N 3.3Å; I106-S109 PolarHBondContact O-OG 3.47Å; D107-S109 VanDerWaalsContact C-N 3.34Å; D107-S109 PolarHBondContact O-N 3.22Å; S109-F113 PolarHBondContact O-N 3.49Å; S109-F113 VanDerWaalsContact O-N 3.09Å; S109-L114 WeakPolarHBondContact CB-O 3.32Å; S109-L114 PolarHBondContact O-N 2.96Å; S109-T119 WeakPolarHBondContact CB-OG1 3.45Å
110K98.1Very high97.4Very high138 Ų13863.1 Ų63.160%0.632%0.319SS*.Hα-helixtrans-67.4-45.9174.9-70.6171.8-178169.70111.2I106 D107 L108 L112 F113I106-K110 HydrophobicContact CG2-CD 4.35Å; I106-K110 WeakPolarHBondContact O-CG 3.47Å; I106-K110 PolarHBondContact O-N 3.47Å; D107-K110 PolarHBondContact O-N 2.93Å; L108-K110 VanDerWaalsContact C-N 3.33Å; L108-K110 PolarHBondContact O-N 3.35Å; K110-L112 VanDerWaalsContact C-N 3.3Å; K110-L112 PolarHBondContact O-N 3.46Å; K110-F113 PolarHBondContact O-N 3.06Å
111K97.7Very high97.4Very high78 Ų7869.2 Ų69.234%0.33934%0.341SS..Hα-helixtrans-58.8-41.4-179.2-172.3171.3-176.8-178.90112E96 E101 D107 L108E96-K111 VanDerWaalsContact CD-CE 3.46Å; E96-K111 VanDerWaalsContact OE1-CE 3.31Å; E96-K111 WeakPolarHBondContact OE1-CE 3.39Å; E96-K111 IonicContact OE1-NZ 3.81Å; E96-K111 PolarHBondContact OE1-NZ 2.98Å; E96-K111 WeakPolarHBondContact OE2-CD 3.33Å; E96-K111 WeakPolarHBondContact OE2-CE 3.44Å; E96-K111 IonicContact OE2-NZ 2.85Å; E96-K111 PolarHBondContact OE2-NZ 3.18Å; E101-K111 IonicContact OE2-NZ 3.02Å; E101-K111 PolarHBondContact OE2-NZ 2.67Å; D107-K111 PolarHBondContact O-N 2.6Å; L108-K111 PolarHBondContact O-N 3.04Å
112L97.1Very high97.5Very high24 Ų2464.2 Ų64.213%0.12632%0.317CS..THydrogen-bonded Turntrans-94.85.6-178.5-61.9-178.4000114.4Q92 I93 E96 L108 K110 L114Q92-L112 HydrophobicContact CB-CD1 4.12Å; Q92-L112 HydrophobicContact CB-CD2 4.03Å; I93-L112 HydrophobicContact CB-CD1 4.42Å; I93-L112 HydrophobicContact CG1-CD1 3.49Å; I93-L112 VanDerWaalsContact CG1-CD1 3.49Å; E96-L112 HydrophobicContact CG-CD1 4.33Å; E96-L112 HydrophobicContact CG-CD2 4Å; E96-L112 HydrophobicContact CG-CG 4.39Å; L108-L112 HydrophobicContact CD1-CD1 3.68Å; L108-L112 HydrophobicContact CD1-CG 4.07Å; L108-L112 HydrophobicContact CG-CD1 4.28Å; L108-L112 PolarHBondContact O-N 2.77Å; K110-L112 VanDerWaalsContact C-N 3.3Å; K110-L112 PolarHBondContact O-N 3.46Å; L112-L114 VanDerWaalsContact C-N 3.27Å; L112-L114 HydrophobicContact CB-CD1 3.93Å; L112-L114 HydrophobicContact CB-CG 3.95Å; L112-L114 HydrophobicContact CD1-CD1 4.32Å; L112-L114 WeakPolarHBondContact O-CG 3.49Å; L112-L114 PolarHBondContact O-N 3.29Å
113F97.4Very high97.6Very high193 Ų19363.9 Ų63.985%0.84632%0.315SS*.THydrogen-bonded Turntrans54.340-177-53.1-84.2000113.8S109 K110S109-F113 PolarHBondContact O-N 3.49Å; S109-F113 VanDerWaalsContact O-N 3.09Å; K110-F113 PolarHBondContact O-N 3.06Å
114L96.8Very high97.6Very high39 Ų3964.5 Ų64.520%0.20432%0.316CS..  trans-109.2159.6178.9-58.5176.3000111P89 I93 S109 L112 T119P89-L114 HydrophobicContact CB-CD1 3.91Å; P89-L114 HydrophobicContact CB-CD2 4.13Å; P89-L114 HydrophobicContact CG-CD2 4.28Å; I93-L114 HydrophobicContact CD1-CD1 4.34Å; S109-L114 WeakPolarHBondContact CB-O 3.32Å; S109-L114 PolarHBondContact O-N 2.96Å; L112-L114 VanDerWaalsContact C-N 3.27Å; L112-L114 HydrophobicContact CB-CD1 3.93Å; L112-L114 HydrophobicContact CB-CG 3.95Å; L112-L114 HydrophobicContact CD1-CD1 4.32Å; L112-L114 WeakPolarHBondContact O-CG 3.49Å; L112-L114 PolarHBondContact O-N 3.29Å; L114-T119 WeakPolarHBondContact CB-OG1 3.38Å
115S97.9Very high97.6Very high64 Ų6465.5 Ų65.545%0.44832%0.318SS..  trans-74.3143.4168.369.10000110.9S117 K118 T119S115-S117 PolarHBondContact O-N 3.47Å; S115-S117 VanDerWaalsContact O-N 3.13Å; S115-K118 PolarHBondContact O-N 2.9Å; S115-K118 WeakPolarHBondContact OG-CB 3.31Å; S115-K118 PolarHBondContact OG-N 2.96Å; S115-T119 PolarHBondContact O-N 3.25Å; S115-T119 PolarHBondContact O-OG1 3.44Å
116P97.7Very high97.6Very high66 Ų6663.9 Ų63.943%0.42931%0.31SS..Hα-helixtrans-51.9-39.5178.4-29.234.7000113.4K118 T119 Q120P116-K118 PolarHBondContact O-N 3.39Å; P116-T119 PolarHBondContact O-N 2.89Å; P116-Q120 WeakPolarHBondContact O-CB 3.25Å; P116-Q120 PolarHBondContact O-N 3.16Å
117S97.8Very high97.6Very high78 Ų7861.8 Ų61.855%0.54530%0.298SS..Hα-helixtrans-69.7-30.6178.1-46.40000113.5S115 R121S115-S117 PolarHBondContact O-N 3.47Å; S115-S117 VanDerWaalsContact O-N 3.13Å; S117-R121 VanDerWaalsContact O-CG 3.27Å; S117-R121 WeakPolarHBondContact O-CG 3.49Å; S117-R121 PolarHBondContact O-N 3.37Å; S117-R121 PolarHBondContact O-NE 3.02Å
118K96Very high97.5Very high59 Ų5962.2 Ų62.226%0.25731%0.305SS..Hα-helixtrans-74.3-43.2172.7178.255.4175154.10110.3E90 S115 P116 Q120 R121 N122E90-K118 IonicContact OE1-NZ 2.83Å; E90-K118 PolarHBondContact OE1-NZ 3.39Å; S115-K118 PolarHBondContact O-N 2.9Å; S115-K118 WeakPolarHBondContact OG-CB 3.31Å; S115-K118 PolarHBondContact OG-N 2.96Å; P116-K118 PolarHBondContact O-N 3.39Å; K118-Q120 PolarHBondContact O-N 2.86Å; K118-R121 PolarHBondContact O-N 3.38Å; K118-N122 WeakPolarHBondContact CE-OD1 3.5Å; K118-N122 PolarHBondContact NZ-OD1 3.12Å; K118-N122 PolarHBondContact O-N 3.17Å; K118-N122 PolarHBondContact O-OD1 2.89Å
119T97.9Very high97.3Very high0 Ų062.2 Ų62.20%031%0.305CS..Hα-helixtrans-57.7-48.3174.8-53.40000111.5I93 I105 L108 S109 L114 S115 P116 R121 N122 L123I93-T119 HydrophobicContact CD1-CG2 4.31Å; I105-T119 HydrophobicContact CG2-CG2 3.93Å; L108-T119 HydrophobicContact CB-CG2 4.27Å; L108-T119 HydrophobicContact CD2-CG2 3.65Å; L108-T119 HydrophobicContact CG-CG2 3.86Å; S109-T119 WeakPolarHBondContact CB-OG1 3.45Å; L114-T119 WeakPolarHBondContact CB-OG1 3.38Å; S115-T119 PolarHBondContact O-N 3.25Å; S115-T119 PolarHBondContact O-OG1 3.44Å; P116-T119 PolarHBondContact O-N 2.89Å; T119-R121 PolarHBondContact O-N 3Å; T119-N122 PolarHBondContact O-N 3.36Å; T119-L123 HydrophobicContact CG2-CD1 4.15Å; T119-L123 WeakPolarHBondContact O-CG 3.49Å; T119-L123 PolarHBondContact O-N 2.97Å
120Q97.9Very high97.2Very high89 Ų8962 Ų6242%0.41630%0.304SS..Hα-helixtrans-60.4-42.6177.6-174.2177.614.600112.6I105 P116 K118 N122 L123 K124I105-Q120 HydrophobicContact CD1-CB 4.14Å; I105-Q120 HydrophobicContact CD1-CG 4.02Å; I105-Q120 HydrophobicContact CG2-CB 4.33Å; P116-Q120 WeakPolarHBondContact O-CB 3.25Å; P116-Q120 PolarHBondContact O-N 3.16Å; K118-Q120 PolarHBondContact O-N 2.86Å; Q120-N122 VanDerWaalsContact C-N 3.32Å; Q120-N122 PolarHBondContact O-N 3.13Å; Q120-L123 PolarHBondContact O-N 2.94Å; Q120-K124 WeakPolarHBondContact O-CG 3.26Å; Q120-K124 PolarHBondContact O-N 3.49Å; Q120-K124 VanDerWaalsContact O-N 3.08Å
121R97.1Very high97Very high152 Ų15259.8 Ų59.857%0.57430%0.298SS*.Hα-helixtrans-62.6-40.6176.4-77-179.1-65.7175.52.1111.9S117 K118 T119 K125S117-R121 VanDerWaalsContact O-CG 3.27Å; S117-R121 WeakPolarHBondContact O-CG 3.49Å; S117-R121 PolarHBondContact O-N 3.37Å; S117-R121 PolarHBondContact O-NE 3.02Å; K118-R121 PolarHBondContact O-N 3.38Å; T119-R121 PolarHBondContact O-N 3Å; R121-K125 PolarHBondContact O-N 3.2Å
122N97.3Very high96.7Very high1 Ų160.4 Ų60.41%0.00530%0.301CS..Hα-helixtrans-68.3-44.1178.4-73.88.1000111.6E90 I93 K118 T119 Q120 K124 K125 I126E90-N122 HydrophobicContact CG-CB 4.11Å; E90-N122 WeakPolarHBondContact CG-ND2 3.48Å; E90-N122 PolarHBondContact OE1-ND2 3.43Å; E90-N122 PolarHBondContact OE1-OD1 3.07Å; E90-N122 VanDerWaalsContact OE1-OD1 3.13Å; I93-N122 HydrophobicContact CD1-CB 3.49Å; I93-N122 VanDerWaalsContact CD1-CB 3.49Å; K118-N122 WeakPolarHBondContact CE-OD1 3.5Å; K118-N122 PolarHBondContact NZ-OD1 3.12Å; K118-N122 PolarHBondContact O-N 3.17Å; K118-N122 PolarHBondContact O-OD1 2.89Å; T119-N122 PolarHBondContact O-N 3.36Å; Q120-N122 VanDerWaalsContact C-N 3.32Å; Q120-N122 PolarHBondContact O-N 3.13Å; N122-K124 VanDerWaalsContact C-N 3.34Å; N122-K124 PolarHBondContact O-N 3.05Å; N122-K125 WeakPolarHBondContact O-CB 3.49Å; N122-K125 PolarHBondContact O-N 3.08Å; N122-K125 VanDerWaalsContact O-N 3.16Å; N122-I126 WeakPolarHBondContact O-CD1 3.42Å; N122-I126 VanDerWaalsContact O-CG1 3.3Å; N122-I126 WeakPolarHBondContact O-CG1 3.45Å; N122-I126 PolarHBondContact O-N 2.71Å
123L98.2Very high96.3Very high0 Ų060.3 Ų60.30%030%0.301CS..Hα-helixtrans-56.6-46174.9-75.8167.8000111.9I93 L97 I105 L108 T119 Q120 K125 I126 E127 L137 Y139 L142I93-L123 HydrophobicContact CG2-CD2 3.49Å; I93-L123 VanDerWaalsContact CG2-CD2 3.49Å; I93-L123 HydrophobicContact CG2-CG 4.22Å; L97-L123 HydrophobicContact CD1-CD2 4.31Å; L97-L123 HydrophobicContact CD2-CD2 4.46Å; I105-L123 HydrophobicContact CD1-CD1 4.28Å; I105-L123 HydrophobicContact CG1-CD1 3.83Å; L108-L123 HydrophobicContact CD2-CD1 4.16Å; L108-L123 HydrophobicContact CD2-CD2 4.14Å; L108-L123 HydrophobicContact CD2-CG 4.39Å; T119-L123 HydrophobicContact CG2-CD1 4.15Å; T119-L123 WeakPolarHBondContact O-CG 3.49Å; T119-L123 PolarHBondContact O-N 2.97Å; Q120-L123 PolarHBondContact O-N 2.94Å; L123-K125 VanDerWaalsContact C-N 3.33Å; L123-K125 PolarHBondContact O-N 3.37Å; L123-I126 PolarHBondContact O-N 3.27Å; L123-E127 WeakPolarHBondContact O-CB 3.43Å; L123-E127 PolarHBondContact O-N 3.04Å; L123-L137 HydrophobicContact CB-CD2 4.01Å; L123-L137 HydrophobicContact CD2-CD1 4.45Å; L123-L137 HydrophobicContact CD2-CD2 3.79Å; L123-L137 HydrophobicContact CG-CD2 4.44Å; L123-Y139 HydrophobicContact CB-CE1 4.17Å; L123-Y139 HydrophobicContact CD1-CD1 4.47Å; L123-Y139 HydrophobicContact CD1-CE1 3.94Å; L123-L142 HydrophobicContact CD1-CD2 4.01Å; L123-L142 HydrophobicContact CD2-CD2 4.4Å
124K97.4Very high96Very high125 Ų12553.5 Ų53.554%0.54329%0.286SS..Hα-helixtrans-60.6-39176.6-75-171.9174-169.20113.5Q120 N122 S128Q120-K124 WeakPolarHBondContact O-CG 3.26Å; Q120-K124 PolarHBondContact O-N 3.49Å; Q120-K124 VanDerWaalsContact O-N 3.08Å; N122-K124 VanDerWaalsContact C-N 3.34Å; N122-K124 PolarHBondContact O-N 3.05Å; K124-S128 PolarHBondContact O-N 2.74Å; K124-S128 VanDerWaalsContact O-N 3.09Å
125K96.7Very high96Very high76 Ų7651.7 Ų51.733%0.3328%0.276SS..Hα-helixtrans-64.2-47174.7-74.3-176.1170.2-1580111.1R121 N122 L123 S128 V129R121-K125 PolarHBondContact O-N 3.2Å; N122-K125 WeakPolarHBondContact O-CB 3.49Å; N122-K125 PolarHBondContact O-N 3.08Å; N122-K125 VanDerWaalsContact O-N 3.16Å; L123-K125 VanDerWaalsContact C-N 3.33Å; L123-K125 PolarHBondContact O-N 3.37Å; K125-S128 PolarHBondContact O-N 3.11Å; K125-S128 PolarHBondContact O-OG 2.9Å; K125-V129 PolarHBondContact O-N 2.94Å
126I97.9Very high96Very high0 Ų051 Ų510%027%0.269CS..Hα-helixtrans-59.4-49.4178.5-67.9160.3000110.2I6 E90 I93 I94 N122 L123 S128 V129 L130I6-I126 HydrophobicContact CB-CG1 4.35Å; I6-I126 HydrophobicContact CD1-CG1 4.35Å; I6-I126 HydrophobicContact CG2-CB 4.48Å; I6-I126 HydrophobicContact CG2-CG1 4.02Å; E90-I126 WeakPolarHBondContact O-CD1 3.37Å; I93-I126 HydrophobicContact CB-CD1 3.84Å; I93-I126 HydrophobicContact CG2-CD1 3.52Å; I94-I126 HydrophobicContact CD1-CG1 4.4Å; I94-I126 HydrophobicContact CG1-CD1 4.08Å; I94-I126 HydrophobicContact CG1-CG1 4.21Å; I94-I126 HydrophobicContact CG1-CG2 3.98Å; N122-I126 WeakPolarHBondContact O-CD1 3.42Å; N122-I126 VanDerWaalsContact O-CG1 3.3Å; N122-I126 WeakPolarHBondContact O-CG1 3.45Å; N122-I126 PolarHBondContact O-N 2.71Å; L123-I126 PolarHBondContact O-N 3.27Å; I126-S128 VanDerWaalsContact C-N 3.32Å; I126-S128 PolarHBondContact O-N 2.8Å; I126-V129 PolarHBondContact O-N 3.43Å; I126-L130 HydrophobicContact CG2-CD1 3.57Å; I126-L130 HydrophobicContact CG2-CG 4.06Å; I126-L130 WeakPolarHBondContact O-CG 3.39Å; I126-L130 PolarHBondContact O-N 3.45Å
127E97.6Very high96Very high50 Ų5048.2 Ų48.223%0.23425%0.25CS..Hα-helixtrans-53.6-46.3176.2-177.1173.8-163.200112.1L123 V129 L130 L131 L137 Y139L123-E127 WeakPolarHBondContact O-CB 3.43Å; L123-E127 PolarHBondContact O-N 3.04Å; E127-V129 PolarHBondContact O-N 2.72Å; E127-L130 PolarHBondContact O-N 3.33Å; E127-L131 HydrophobicContact CG-CD1 4.1Å; E127-L131 HydrophobicContact CG-CG 4.41Å; E127-L131 WeakPolarHBondContact O-CB 3.27Å; E127-L131 VanDerWaalsContact O-CG 3.27Å; E127-L131 WeakPolarHBondContact O-CG 3.21Å; E127-L131 PolarHBondContact O-N 3.18Å; E127-L137 HydrophobicContact CB-CB 4.21Å; E127-L137 HydrophobicContact CB-CD2 4.1Å; E127-L137 HydrophobicContact CG-CB 4.09Å; E127-Y139 PolarHBondContact OE2-OH 3.1Å
128S96.2Very high96Very high67 Ų6747.6 Ų47.647%0.46924%0.239SC..Hα-helixtrans-61.6-28.1178.974.10000114.2K124 K125 I126K124-S128 PolarHBondContact O-N 2.74Å; K124-S128 VanDerWaalsContact O-N 3.09Å; K125-S128 PolarHBondContact O-N 3.11Å; K125-S128 PolarHBondContact O-OG 2.9Å; I126-S128 VanDerWaalsContact C-N 3.32Å; I126-S128 PolarHBondContact O-N 2.8Å
129V95.4Very high96Very high2 Ų247.8 Ų47.81%0.01224%0.239CC..Hα-helixtrans-84.5-42178173.30000110.8M1 D5 I6 K125 I126 E127 K132M1-V129 HydrophobicContact CG-CG1 3.54Å; M1-V129 HydrophobicContact SD-CG1 4.14Å; D5-V129 HydrophobicContact CB-CG2 3.79Å; I6-V129 HydrophobicContact CG2-CB 4.03Å; I6-V129 HydrophobicContact CG2-CG2 3.7Å; K125-V129 PolarHBondContact O-N 2.94Å; I126-V129 PolarHBondContact O-N 3.43Å; E127-V129 PolarHBondContact O-N 2.72Å; V129-K132 WeakPolarHBondContact O-CB 3.14Å; V129-K132 WeakPolarHBondContact O-CG 3.23Å; V129-K132 PolarHBondContact O-N 3.09Å
130L95.8Very high95.8Very high1 Ų158.2 Ų58.21%0.00528%0.278CS..Hα-helixtrans-64.1-37.6178.4-71.5178.3000113.1M1 F3 I126 E127 K132 T133 I135 L144 M154M1-L130 HydrophobicContact SD-CD2 4.07Å; F3-L130 HydrophobicContact CE1-CD2 4.26Å; F3-L130 HydrophobicContact CZ-CD2 3.9Å; I126-L130 HydrophobicContact CG2-CD1 3.57Å; I126-L130 HydrophobicContact CG2-CG 4.06Å; I126-L130 WeakPolarHBondContact O-CG 3.39Å; I126-L130 PolarHBondContact O-N 3.45Å; E127-L130 PolarHBondContact O-N 3.33Å; L130-K132 PolarHBondContact O-N 3.02Å; L130-K132 VanDerWaalsContact O-N 3.12Å; L130-T133 PolarHBondContact O-N 3.29Å; L130-T133 PolarHBondContact O-OG1 2.87Å; L130-I135 CarbonylContact C-O 3.49Å; L130-I135 VanDerWaalsContact C-O 3.23Å; L130-I135 HydrophobicContact CB-CB 4Å; L130-I135 HydrophobicContact CB-CG2 4.12Å; L130-I135 HydrophobicContact CD1-CG2 4.22Å; L130-I135 HydrophobicContact CD2-CB 4.39Å; L130-I135 HydrophobicContact CD2-CD1 4.2Å; L130-I135 HydrophobicContact CD2-CG2 4.22Å; L130-I135 HydrophobicContact CG-CG2 4.43Å; L130-I135 PolarHBondContact O-N 3.44Å; L130-I135 VanDerWaalsContact O-N 3.16Å; L130-L144 HydrophobicContact CD1-CD1 4.08Å; L130-L144 HydrophobicContact CD1-CD2 3.49Å; L130-L144 VanDerWaalsContact CD1-CD2 3.49Å; L130-L144 HydrophobicContact CD1-CG 4.44Å; L130-M154 HydrophobicContact CD2-CE 4.47Å; L130-M154 HydrophobicContact CD2-SD 3.47Å; L130-M154 WeakPolarHBondContact CD2-SD 3.38Å
131L94Very high95.6Very high91 Ų9155.8 Ų55.848%0.47627%0.27SS..G310 helixtrans-59.1-25.8178-78171.5000112.7E127 T133 G134 I135 T136E127-L131 HydrophobicContact CG-CD1 4.1Å; E127-L131 HydrophobicContact CG-CG 4.41Å; E127-L131 WeakPolarHBondContact O-CB 3.27Å; E127-L131 VanDerWaalsContact O-CG 3.27Å; E127-L131 WeakPolarHBondContact O-CG 3.21Å; E127-L131 PolarHBondContact O-N 3.18Å; L131-T133 PolarHBondContact O-N 3.38Å; L131-G134 PolarHBondContact O-N 3.42Å; L131-G134 VanDerWaalsContact O-N 3.07Å; L131-I135 WeakPolarHBondContact CA-O 3.44Å; L131-I135 PolarHBondContact N-O 2.93Å; L131-T136 HydrophobicContact CD2-CG2 4.05Å
132K90.5Very high95.6Very high92 Ų9248.7 Ų48.740%0.424%0.243SC..G310 helixtrans-63.1-20.1177.5-56.7179.9179.9178.80113.2D5 V129 L130 Q333D5-K132 IonicContact OD2-NZ 2.73Å; D5-K132 PolarHBondContact OD2-NZ 2.84Å; V129-K132 WeakPolarHBondContact O-CB 3.14Å; V129-K132 WeakPolarHBondContact O-CG 3.23Å; V129-K132 PolarHBondContact O-N 3.09Å; L130-K132 PolarHBondContact O-N 3.02Å; L130-K132 VanDerWaalsContact O-N 3.12Å; K132-Q333 HydrophobicContact CB-CG 4.49Å; K132-Q333 VanDerWaalsContact CB-OE1 3.25Å
133T89.3Confident95.6Very high22 Ų2251 Ų5114%0.13525%0.252CS..G310 helixtrans-115.821.5175.456.70000112.2M1 L130 L131 I135 Q333M1-T133 HydrophobicContact CB-CG2 3.68Å; M1-T133 HydrophobicContact CE-CG2 4.31Å; M1-T133 HydrophobicContact CG-CG2 4.46Å; M1-T133 HydrophobicContact SD-CG2 4.18Å; L130-T133 PolarHBondContact O-N 3.29Å; L130-T133 PolarHBondContact O-OG1 2.87Å; L131-T133 PolarHBondContact O-N 3.38Å; T133-I135 PolarHBondContact O-N 2.89Å; T133-Q333 HydrophobicContact CG2-CB 3.91Å; T133-Q333 HydrophobicContact CG2-CG 4.47Å
134G91.6Very high95.6Very high50 Ų5051 Ų5152%0.51525%0.252SS..THydrogen-bonded Turntrans71.910.5179.900000115L131L131-G134 PolarHBondContact O-N 3.42Å; L131-G134 VanDerWaalsContact O-N 3.07Å
135I95.8Very high95.7Very high1 Ų148 Ų481%0.00524%0.24CC..  trans-84.8127.9174.9-59.6170.8000108.5L130 L131 T133 L144 V150 I151 M154L130-I135 CarbonylContact C-O 3.49Å; L130-I135 VanDerWaalsContact C-O 3.23Å; L130-I135 HydrophobicContact CB-CB 4Å; L130-I135 HydrophobicContact CB-CG2 4.12Å; L130-I135 HydrophobicContact CD1-CG2 4.22Å; L130-I135 HydrophobicContact CD2-CB 4.39Å; L130-I135 HydrophobicContact CD2-CD1 4.2Å; L130-I135 HydrophobicContact CD2-CG2 4.22Å; L130-I135 HydrophobicContact CG-CG2 4.43Å; L130-I135 PolarHBondContact O-N 3.44Å; L130-I135 VanDerWaalsContact O-N 3.16Å; L131-I135 WeakPolarHBondContact CA-O 3.44Å; L131-I135 PolarHBondContact N-O 2.93Å; T133-I135 PolarHBondContact O-N 2.89Å; I135-L144 HydrophobicContact CG2-CB 4.04Å; I135-L144 HydrophobicContact CG2-CD1 4.3Å; I135-L144 HydrophobicContact CG2-CD2 4.29Å; I135-L144 HydrophobicContact CG2-CG 4.44Å; I135-V150 HydrophobicContact CD1-CG1 4.03Å; I135-V150 HydrophobicContact CG1-CG1 4.43Å; I135-I151 HydrophobicContact CD1-CG1 3.72Å; I135-I151 HydrophobicContact CG1-CG1 3.75Å; I135-I151 HydrophobicContact CG2-CD1 4.36Å; I135-I151 HydrophobicContact CG2-CG1 4.15Å; I135-M154 HydrophobicContact CD1-SD 4.07Å
136T97.6Very high95.6Very high50 Ų5046.5 Ų46.531%0.30725%0.245SC..EExtended strand (participates in β ladder)trans-107.7144.3178.963.40000110.8L131 Q138 L144 E145L131-T136 HydrophobicContact CD2-CG2 4.05Å; T136-Q138 PolarHBondContact OG1-NE2 3.34Å; T136-L144 WeakPolarHBondContact O-CA 3.32Å; T136-E145 PolarHBondContact N-O 3.39Å; T136-E145 PolarHBondContact O-N 2.87Å; T136-E145 PolarHBondContact OG1-O 2.86Å; T136-E145 VanDerWaalsContact OG1-O 3.12Å
137L98.1Very high95.4Very high6 Ų649.2 Ų49.23%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-99117.6174.417565.5000109.3L97 L123 E127 Y139 L144L97-L137 HydrophobicContact CD1-CD1 3.88Å; L97-L137 HydrophobicContact CD2-CD1 3.62Å; L97-L137 HydrophobicContact CG-CD1 4.41Å; L123-L137 HydrophobicContact CB-CD2 4.01Å; L123-L137 HydrophobicContact CD2-CD1 4.45Å; L123-L137 HydrophobicContact CD2-CD2 3.79Å; L123-L137 HydrophobicContact CG-CD2 4.44Å; E127-L137 HydrophobicContact CB-CB 4.21Å; E127-L137 HydrophobicContact CB-CD2 4.1Å; E127-L137 HydrophobicContact CG-CB 4.09Å; L137-Y139 HydrophobicContact CD2-CE1 4.16Å; L137-Y139 HydrophobicContact CD2-CE2 3.85Å; L137-Y139 HydrophobicContact CG-CD2 4.37Å; L137-Y139 HydrophobicContact CG-CE2 3.96Å; L137-L144 HydrophobicContact CB-CD2 4.38Å; L137-L144 HydrophobicContact CD1-CD2 3.85Å
138Q97.8Very high95.3Very high66 Ų6647.6 Ų47.631%0.30825%0.252SS..EExtended strand (participates in β ladder)trans-91.1145.9170-55.8-55.5-3300109.7T136 P141 L142 R143 E145T136-Q138 PolarHBondContact OG1-NE2 3.34Å; Q138-P141 CarbonylContact C-O 3.53Å; Q138-L142 VanDerWaalsContact O-CA 3.28Å; Q138-L142 WeakPolarHBondContact O-CA 3.28Å; Q138-R143 HydrophobicContact CB-CG 3.81Å; Q138-R143 HydrophobicContact CG-CG 4.26Å; Q138-R143 PolarHBondContact N-O 3.34Å; Q138-R143 PolarHBondContact O-N 2.66Å; Q138-R143 VanDerWaalsContact O-N 3.15Å; Q138-E145 HydrophobicContact CG-CB 4.45Å; Q138-E145 HydrophobicContact CG-CG 3.91Å; Q138-E145 WeakPolarHBondContact CG-OE2 3.23Å; Q138-E145 PolarHBondContact NE2-OE2 3.07Å
139Y96.4Very high95.2Very high62 Ų6244.7 Ų44.724%0.24323%0.232CC..EExtended strand (participates in β ladder)trans-107.3-3.3-175.5-73.9-98.1000114.4I105 L123 E127 L137 P141 L142I105-Y139 HydrophobicContact CD1-CD1 3.95Å; I105-Y139 HydrophobicContact CD1-CE1 3.99Å; I105-Y139 HydrophobicContact CG1-CD1 4.07Å; I105-Y139 HydrophobicContact CG1-CE1 4.39Å; L123-Y139 HydrophobicContact CB-CE1 4.17Å; L123-Y139 HydrophobicContact CD1-CD1 4.47Å; L123-Y139 HydrophobicContact CD1-CE1 3.94Å; E127-Y139 PolarHBondContact OE2-OH 3.1Å; L137-Y139 HydrophobicContact CD2-CE1 4.16Å; L137-Y139 HydrophobicContact CD2-CE2 3.85Å; L137-Y139 HydrophobicContact CG-CD2 4.37Å; L137-Y139 HydrophobicContact CG-CE2 3.96Å; Y139-P141 CarbonylContact C-O 3.51Å; Y139-L142 HydrophobicContact CD1-CD2 3.85Å; Y139-L142 HydrophobicContact CG-CD2 4.32Å
140R92.2Very high95.1Very high220 Ų22045 Ų4583%0.8323%0.234SC*.THydrogen-bonded Turntrans-147.196.7-178.9-64.5-174.6-175.9178.70.4112R143R140-R143 PolarHBondContact O-NH1 3.14Å
141P94.7Very high95.2Very high37 Ų3744.9 Ų44.924%0.2423%0.234CC..THydrogen-bonded Turncis-60.3170.2-21.225.6-38.2000113.3E103 Q138 Y139 R143E103-P141 WeakPolarHBondContact O-CA 3.45Å; Q138-P141 CarbonylContact C-O 3.53Å; Y139-P141 CarbonylContact C-O 3.51Å; P141-R143 PolarHBondContact O-N 3.17Å; P141-R143 PolarHBondContact O-NH1 3.08Å
142L98Very high95.3Very high3 Ų340.6 Ų40.62%0.01621%0.211CC..EExtended strand (participates in β ladder)trans-68111.9171.5-71.5166.9000110.2L97 C102 N104 L108 L123 Q138 Y139L97-L142 HydrophobicContact CD2-CB 3.85Å; C102-L142 HydrophobicContact CB-CD1 3.97Å; C102-L142 WeakPolarHBondContact O-CB 3.42Å; C102-L142 PolarHBondContact O-N 2.77Å; C102-L142 VanDerWaalsContact O-N 3.11Å; N104-L142 VanDerWaalsContact O-CD1 3.29Å; N104-L142 WeakPolarHBondContact O-CD1 3.15Å; L108-L142 HydrophobicContact CB-CD1 3.72Å; L108-L142 HydrophobicContact CD2-CD1 3.78Å; L108-L142 HydrophobicContact CG-CD1 4.36Å; L123-L142 HydrophobicContact CD1-CD2 4.01Å; L123-L142 HydrophobicContact CD2-CD2 4.4Å; Q138-L142 VanDerWaalsContact O-CA 3.28Å; Q138-L142 WeakPolarHBondContact O-CA 3.28Å; Y139-L142 HydrophobicContact CD1-CD2 3.85Å; Y139-L142 HydrophobicContact CG-CD2 4.32Å
143R97.2Very high95.5Very high50 Ų5036.6 Ų36.619%0.18919%0.194CC..EExtended strand (participates in β ladder)trans-158162.5-178.964.7-179.1-174-81.10.6112.3E100 Q138 R140 P141 E145E100-R143 VanDerWaalsContact CD-CB 3.42Å; E100-R143 HydrophobicContact CG-CB 3.71Å; E100-R143 WeakPolarHBondContact OE2-CB 3.27Å; E100-R143 WeakPolarHBondContact OE2-CD 3.44Å; Q138-R143 HydrophobicContact CB-CG 3.81Å; Q138-R143 HydrophobicContact CG-CG 4.26Å; Q138-R143 PolarHBondContact N-O 3.34Å; Q138-R143 PolarHBondContact O-N 2.66Å; Q138-R143 VanDerWaalsContact O-N 3.15Å; R140-R143 PolarHBondContact O-NH1 3.14Å; P141-R143 PolarHBondContact O-N 3.17Å; P141-R143 PolarHBondContact O-NH1 3.08Å; R143-E145 HydrophobicContact CG-CG 4.5Å; R143-E145 IonicContact CZ-OE1 3.08Å; R143-E145 IonicContact NE-OE1 2.71Å; R143-E145 PolarHBondContact NE-OE1 3.06Å; R143-E145 IonicContact NH2-OE1 3.08Å; R143-E145 PolarHBondContact NH2-OE1 3.49Å
144L98.3Very high95.9Very high1 Ų135.6 Ų35.61%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-98.4137.1171.8-57.6-173.8000110.8L97 L130 I135 T136 L137 I151 M154 Y155 R214L97-L144 HydrophobicContact CB-CG 4.17Å; L97-L144 HydrophobicContact CD1-CD2 4.02Å; L97-L144 HydrophobicContact CD1-CG 4.5Å; L130-L144 HydrophobicContact CD1-CD1 4.08Å; L130-L144 HydrophobicContact CD1-CD2 3.49Å; L130-L144 VanDerWaalsContact CD1-CD2 3.49Å; L130-L144 HydrophobicContact CD1-CG 4.44Å; I135-L144 HydrophobicContact CG2-CB 4.04Å; I135-L144 HydrophobicContact CG2-CD1 4.3Å; I135-L144 HydrophobicContact CG2-CD2 4.29Å; I135-L144 HydrophobicContact CG2-CG 4.44Å; T136-L144 WeakPolarHBondContact O-CA 3.32Å; L137-L144 HydrophobicContact CB-CD2 4.38Å; L137-L144 HydrophobicContact CD1-CD2 3.85Å; L144-I151 HydrophobicContact CB-CD1 4.42Å; L144-M154 HydrophobicContact CD1-CE 3.81Å; L144-Y155 HydrophobicContact CD1-CE2 4.09Å; L144-Y155 WeakPolarHBondContact CD1-OH 3.33Å; L144-R214 PolarHBondContact O-NH2 3.41Å
145E97.9Very high96.1Very high62 Ų6233.2 Ų33.229%0.2916%0.163SC..EExtended strand (participates in β ladder)trans-131.1146.6174.5-68.3-176.417400110.5T136 Q138 R143T136-E145 PolarHBondContact N-O 3.39Å; T136-E145 PolarHBondContact O-N 2.87Å; T136-E145 PolarHBondContact OG1-O 2.86Å; T136-E145 VanDerWaalsContact OG1-O 3.12Å; Q138-E145 HydrophobicContact CG-CB 4.45Å; Q138-E145 HydrophobicContact CG-CG 3.91Å; Q138-E145 WeakPolarHBondContact CG-OE2 3.23Å; Q138-E145 PolarHBondContact NE2-OE2 3.07Å; R143-E145 HydrophobicContact CG-CG 4.5Å; R143-E145 IonicContact CZ-OE1 3.08Å; R143-E145 IonicContact NE-OE1 2.71Å; R143-E145 PolarHBondContact NE-OE1 3.06Å; R143-E145 IonicContact NH2-OE1 3.08Å; R143-E145 PolarHBondContact NH2-OE1 3.49Å
146G95Very high96.1Very high43 Ų4334.5 Ų34.544%0.44317%0.168SC..SBendtrans152.7-159.1-176.300000111.1E148G146-E148 PolarHBondContact O-N 2.88Å
147N93.4Very high95.9Very high58 Ų5834.2 Ų34.231%0.3116%0.161SC..  trans-65.3118.7172.9-172.2-22.8000110.1S149 V150 I151 E329N147-S149 VanDerWaalsContact C-N 3.29Å; N147-S149 PolarHBondContact ND2-OG 2.92Å; N147-S149 PolarHBondContact O-N 3.08Å; N147-S149 WeakPolarHBondContact OD1-CB 3.43Å; N147-S149 PolarHBondContact OD1-N 3.31Å; N147-S149 PolarHBondContact OD1-OG 3.36Å; N147-V150 HydrophobicContact CB-CB 4.37Å; N147-V150 HydrophobicContact CB-CG2 3.92Å; N147-V150 PolarHBondContact O-N 3.47Å; N147-I151 WeakPolarHBondContact O-CG1 3.21Å; N147-I151 PolarHBondContact O-N 2.64Å; N147-E329 PolarHBondContact ND2-OE1 3.47Å
148E96Very high95.8Very high15 Ų1534 Ų347%0.0716%0.16CC..Hα-helixtrans-62.6-31.3-179.3-84.5-64.6111.100113.2G146 V150 R152 R214 Y221G146-E148 PolarHBondContact O-N 2.88Å; E148-V150 VanDerWaalsContact C-N 3.3Å; E148-V150 PolarHBondContact O-N 3.03Å; E148-R152 VanDerWaalsContact O-CB 3.23Å; E148-R152 WeakPolarHBondContact O-CB 3.43Å; E148-R152 WeakPolarHBondContact O-CG 3.36Å; E148-R152 PolarHBondContact O-N 3.42Å; E148-R152 IonicContact OE2-CZ 3.72Å; E148-R152 IonicContact OE2-NE 3.59Å; E148-R152 PolarHBondContact OE2-NE 3.48Å; E148-R152 IonicContact OE2-NH2 2.86Å; E148-R152 PolarHBondContact OE2-NH2 3.31Å; E148-R214 IonicContact OE1-CZ 3.7Å; E148-R214 VanDerWaalsContact OE1-CZ 3.31Å; E148-R214 IonicContact OE1-NE 3.42Å; E148-R214 PolarHBondContact OE1-NE 3.44Å; E148-R214 VanDerWaalsContact OE1-NE 3.1Å; E148-R214 IonicContact OE1-NH2 3.95Å; E148-R214 PolarHBondContact OE1-NH2 2.86Å; E148-R214 IonicContact OE2-NE 3.66Å; E148-R214 PolarHBondContact OE2-NE 3.02Å; E148-Y221 HydrophobicContact CB-CD2 4.24Å
149S94.2Very high95.6Very high6 Ų631 Ų314%0.04215%0.146CC..Hα-helixtrans-60.5-44.7176.370.70000110.7N147 H153N147-S149 VanDerWaalsContact C-N 3.29Å; N147-S149 PolarHBondContact ND2-OG 2.92Å; N147-S149 PolarHBondContact O-N 3.08Å; N147-S149 WeakPolarHBondContact OD1-CB 3.43Å; N147-S149 PolarHBondContact OD1-N 3.31Å; N147-S149 PolarHBondContact OD1-OG 3.36Å; S149-H153 WeakPolarHBondContact O-CB 3.46Å; S149-H153 PolarHBondContact O-N 3.32Å
150V93.8Very high95.4Very high8 Ų830.6 Ų30.65%0.04815%0.147CC..Hα-helixtrans-69.4-47.1-178.7-174.70000110.6I135 N147 E148 R152 H153 M154 I335I135-V150 HydrophobicContact CD1-CG1 4.03Å; I135-V150 HydrophobicContact CG1-CG1 4.43Å; N147-V150 HydrophobicContact CB-CB 4.37Å; N147-V150 HydrophobicContact CB-CG2 3.92Å; N147-V150 PolarHBondContact O-N 3.47Å; E148-V150 VanDerWaalsContact C-N 3.3Å; E148-V150 PolarHBondContact O-N 3.03Å; V150-R152 PolarHBondContact O-N 3.25Å; V150-H153 PolarHBondContact O-N 3.04Å; V150-M154 WeakPolarHBondContact O-CB 3.43Å; V150-M154 PolarHBondContact O-N 3.19Å; V150-I335 HydrophobicContact CG1-CD1 3.81Å
151I96.7Very high95.5Very high0 Ų021 Ų210%011%0.112CC..Hα-helixtrans-60.3-48.5178-67170.2000110.5I135 L144 N147 M154 Y155I135-I151 HydrophobicContact CD1-CG1 3.72Å; I135-I151 HydrophobicContact CG1-CG1 3.75Å; I135-I151 HydrophobicContact CG2-CD1 4.36Å; I135-I151 HydrophobicContact CG2-CG1 4.15Å; L144-I151 HydrophobicContact CB-CD1 4.42Å; N147-I151 WeakPolarHBondContact O-CG1 3.21Å; N147-I151 PolarHBondContact O-N 2.64Å; I151-M154 WeakPolarHBondContact O-CB 3.4Å; I151-M154 PolarHBondContact O-N 2.9Å; I151-Y155 HydrophobicContact CG2-CD2 3.9Å; I151-Y155 HydrophobicContact CG2-CE2 3.83Å; I151-Y155 VanDerWaalsContact O-CD2 3.32Å; I151-Y155 WeakPolarHBondContact O-CD2 3.39Å; I151-Y155 PolarHBondContact O-N 2.97Å
152R96.9Very high95.4Very high0 Ų021.3 Ų21.30%011%0.11CC..Hα-helixtrans-68.8-37.1-178.6-66.2175.2-177.3-161.13.2111.7E148 V150 Y155 Y156 I210 S211 R214 H219 D260 W263E148-R152 VanDerWaalsContact O-CB 3.23Å; E148-R152 WeakPolarHBondContact O-CB 3.43Å; E148-R152 WeakPolarHBondContact O-CG 3.36Å; E148-R152 PolarHBondContact O-N 3.42Å; E148-R152 IonicContact OE2-CZ 3.72Å; E148-R152 IonicContact OE2-NE 3.59Å; E148-R152 PolarHBondContact OE2-NE 3.48Å; E148-R152 IonicContact OE2-NH2 2.86Å; E148-R152 PolarHBondContact OE2-NH2 3.31Å; V150-R152 PolarHBondContact O-N 3.25Å; R152-Y155 PolarHBondContact O-N 3.31Å; R152-Y156 PolarHBondContact O-N 3.06Å; R152-Y156 VanDerWaalsContact O-N 3.08Å; R152-I210 HydrophobicContact CB-CG2 4.15Å; R152-I210 HydrophobicContact CG-CG2 4.07Å; R152-S211 PolarHBondContact NH1-OG 3.42Å; R152-S211 VanDerWaalsContact NH1-OG 3.14Å; R152-R214 HydrophobicContact CG-CG 4.07Å; R152-H219 PolarHBondContact NH2-O 3.47Å; R152-D260 IonicContact CZ-OD1 3.7Å; R152-D260 PolarHBondContact NH1-O 3.32Å; R152-D260 IonicContact NH1-OD1 3.62Å; R152-D260 PolarHBondContact NH1-OD1 3.03Å; R152-D260 IonicContact NH2-OD1 2.84Å; R152-D260 PolarHBondContact NH2-OD1 3.13Å; R152-D260 IonicContact NH2-OD2 2.62Å; R152-W263 HydrophobicContact CB-CZ2 3.84Å; R152-W263 VanDerWaalsContact NH1-CD1 3.25Å
153H95.5Very high94.8Very high8 Ų822.2 Ų22.24%0.03712%0.116CC..Hα-helixtrans-64.3-43.1173.3-174.579.3000111.9S149 V150 Y155 Y156 R157 R203 I327 Y328S149-H153 WeakPolarHBondContact O-CB 3.46Å; S149-H153 PolarHBondContact O-N 3.32Å; V150-H153 PolarHBondContact O-N 3.04Å; H153-Y155 PolarHBondContact O-N 2.93Å; H153-Y156 WeakPolarHBondContact O-CB 3.26Å; H153-Y156 PolarHBondContact O-N 3.05Å; H153-R157 WeakPolarHBondContact NE2-CG 3.43Å; H153-R157 WeakPolarHBondContact O-CG 3.07Å; H153-R157 PolarHBondContact O-N 3.45Å; H153-R203 PolarHBondContact ND1-NH2 3.41Å; H153-R203 VanDerWaalsContact ND1-NH2 3.15Å; H153-I327 HydrophobicContact CB-CG2 3.88Å; H153-I327 WeakPolarHBondContact ND1-CG2 3.04Å; H153-Y328 AromaticContact NE2-CZ 3.84Å; H153-Y328 PolarHBondContact NE2-OH 3.32Å; H153-Y328 VanDerWaalsContact NE2-OH 3.11Å
154M95.9Very high93.6Very high1 Ų125 Ų251%0.00514%0.135CC..Hα-helixtrans-56.2-49174.9176.1-160.580.800111.6M1 F3 L130 I135 L144 V150 I151 Y156 R157 Y158 I335M1-M154 HydrophobicContact CE-CB 4.41Å; M1-M154 HydrophobicContact CE-CG 3.93Å; M1-M154 HydrophobicContact CE-SD 4.07Å; F3-M154 HydrophobicContact CE2-CG 3.88Å; F3-M154 HydrophobicContact CE2-SD 4.21Å; F3-M154 HydrophobicContact CZ-CG 3.84Å; F3-M154 HydrophobicContact CZ-SD 3.59Å; F3-M154 VanDerWaalsContact CZ-SD 3.59Å; L130-M154 HydrophobicContact CD2-CE 4.47Å; L130-M154 HydrophobicContact CD2-SD 3.47Å; L130-M154 WeakPolarHBondContact CD2-SD 3.38Å; I135-M154 HydrophobicContact CD1-SD 4.07Å; L144-M154 HydrophobicContact CD1-CE 3.81Å; V150-M154 WeakPolarHBondContact O-CB 3.43Å; V150-M154 PolarHBondContact O-N 3.19Å; I151-M154 WeakPolarHBondContact O-CB 3.4Å; I151-M154 PolarHBondContact O-N 2.9Å; M154-Y156 VanDerWaalsContact C-N 3.29Å; M154-Y156 PolarHBondContact O-N 3.38Å; M154-R157 PolarHBondContact O-N 2.98Å; M154-Y158 WeakPolarHBondContact O-CB 3.45Å; M154-Y158 PolarHBondContact O-N 3.18Å; M154-I335 HydrophobicContact CB-CD1 4.04Å; M154-I335 HydrophobicContact CB-CG2 4.31Å; M154-I335 HydrophobicContact CG-CG2 4.3Å
155Y96.9Very high92.7Very high0 Ų033 Ų330%017%0.165CC..Hα-helixtrans-64.1-34.1178.1-81.6-61.2000113.1I94 L98 L144 I151 R152 H153 Y158 F159I94-Y155 HydrophobicContact CG2-CE1 3.93Å; I94-Y155 VanDerWaalsContact O-CE1 3.31Å; I94-Y155 WeakPolarHBondContact O-CE1 3.41Å; I94-Y155 PolarHBondContact O-OH 3.11Å; L98-Y155 HydrophobicContact CB-CD1 4.25Å; L98-Y155 HydrophobicContact CB-CE1 3.72Å; L98-Y155 HydrophobicContact CB-CE2 4.05Å; L98-Y155 HydrophobicContact CD1-CD2 3.87Å; L98-Y155 HydrophobicContact CD1-CE2 3.89Å; L98-Y155 HydrophobicContact CD1-CG 4.27Å; L98-Y155 HydrophobicContact CD2-CD1 4.23Å; L98-Y155 HydrophobicContact CD2-CG 4.37Å; L98-Y155 HydrophobicContact CG-CE2 4.5Å; L98-Y155 PolarHBondContact N-OH 2.81Å; L98-Y155 VanDerWaalsContact N-OH 3.15Å; L144-Y155 HydrophobicContact CD1-CE2 4.09Å; L144-Y155 WeakPolarHBondContact CD1-OH 3.33Å; I151-Y155 HydrophobicContact CG2-CD2 3.9Å; I151-Y155 HydrophobicContact CG2-CE2 3.83Å; I151-Y155 VanDerWaalsContact O-CD2 3.32Å; I151-Y155 WeakPolarHBondContact O-CD2 3.39Å; I151-Y155 PolarHBondContact O-N 2.97Å; R152-Y155 PolarHBondContact O-N 3.31Å; H153-Y155 PolarHBondContact O-N 2.93Å; Y155-Y158 WeakPolarHBondContact O-CB 3.45Å; Y155-Y158 PolarHBondContact O-N 3.41Å; Y155-F159 HydrophobicContact CD1-CE2 4.48Å; Y155-F159 WeakPolarHBondContact O-CD2 3.2Å; Y155-F159 PolarHBondContact O-N 2.98Å
156Y95.1Very high91.7Very high29 Ų2931.2 Ų31.211%0.11416%0.157CC..Hα-helixtrans-62.3-48172.1160-101.1000112.1R152 H153 M154 Y158 F159 I160 R203 Y206R152-Y156 PolarHBondContact O-N 3.06Å; R152-Y156 VanDerWaalsContact O-N 3.08Å; H153-Y156 WeakPolarHBondContact O-CB 3.26Å; H153-Y156 PolarHBondContact O-N 3.05Å; M154-Y156 VanDerWaalsContact C-N 3.29Å; M154-Y156 PolarHBondContact O-N 3.38Å; Y156-Y158 VanDerWaalsContact C-N 3.26Å; Y156-Y158 PolarHBondContact O-N 3.07Å; Y156-F159 PolarHBondContact O-N 2.85Å; Y156-I160 HydrophobicContact CD2-CD1 4.07Å; Y156-I160 HydrophobicContact CD2-CG1 4.18Å; Y156-I160 HydrophobicContact CE1-CD1 3.95Å; Y156-I160 HydrophobicContact CE2-CD1 3.21Å; Y156-I160 HydrophobicContact CE2-CG1 3.78Å; Y156-I160 PolarHBondContact O-N 3.28Å; Y156-I160 WeakPolarHBondContact OH-CD1 3.48Å; Y156-R203 VanDerWaalsContact CD2-NH1 3.26Å; Y156-R203 HydrophobicContact CE2-CB 4.35Å; Y156-R203 HydrophobicContact CE2-CG 4.39Å; Y156-Y206 HydrophobicContact CD2-CD2 4.12Å; Y156-Y206 HydrophobicContact CD2-CG 4.08Å; Y156-Y206 HydrophobicContact CE2-CD2 4.11Å
157R93.7Very high90.8Very high44 Ų4433.7 Ų33.717%0.16616%0.161CC..Hα-helixtrans-59.6-42.7177.8-65.7-63.8-65.6-84.8-6.9110.3H153 M154 E161 Y328 I335 D336 I337H153-R157 WeakPolarHBondContact NE2-CG 3.43Å; H153-R157 WeakPolarHBondContact O-CG 3.07Å; H153-R157 PolarHBondContact O-N 3.45Å; M154-R157 PolarHBondContact O-N 2.98Å; R157-E161 PolarHBondContact O-N 3.05Å; R157-Y328 PolarHBondContact NH1-OH 3.08Å; R157-I335 VanDerWaalsContact CZ-O 3.28Å; R157-I335 PolarHBondContact NH1-O 3.23Å; R157-I335 VanDerWaalsContact NH1-O 3.16Å; R157-I335 PolarHBondContact NH2-O 3.27Å; R157-D336 IonicContact NH2-OD1 2.78Å; R157-I337 HydrophobicContact CB-CD1 4.18Å; R157-I337 HydrophobicContact CB-CG1 3.84Å
158Y95.5Very high90.1Very high2 Ų232.9 Ų32.91%0.00816%0.159CC..Hα-helixtrans-55.7-52.6174170.8-91.8000112.2I85 F91 I94 E95 M154 Y155 Y156 I160 E161 K162I85-Y158 HydrophobicContact CG2-CD2 4.18Å; I85-Y158 HydrophobicContact CG2-CE2 3.42Å; I85-Y158 VanDerWaalsContact CG2-CE2 3.42Å; F91-Y158 HydrophobicContact CB-CE2 4.07Å; F91-Y158 AromaticContact CD1-CD2 3.98Å; F91-Y158 HydrophobicContact CD1-CD2 3.98Å; F91-Y158 AromaticContact CD1-CE2 3.69Å; F91-Y158 HydrophobicContact CD1-CE2 3.69Å; F91-Y158 HydrophobicContact CE1-CD2 4.48Å; F91-Y158 HydrophobicContact CG-CE2 4.24Å; F91-Y158 PolarHBondContact O-OH 3.43Å; I94-Y158 HydrophobicContact CG2-CD2 4.31Å; I94-Y158 HydrophobicContact CG2-CE2 4.44Å; E95-Y158 HydrophobicContact CB-CE1 4.15Å; E95-Y158 HydrophobicContact CG-CE1 4.19Å; E95-Y158 PolarHBondContact OE2-OH 2.8Å; M154-Y158 WeakPolarHBondContact O-CB 3.45Å; M154-Y158 PolarHBondContact O-N 3.18Å; Y155-Y158 WeakPolarHBondContact O-CB 3.45Å; Y155-Y158 PolarHBondContact O-N 3.41Å; Y156-Y158 VanDerWaalsContact C-N 3.26Å; Y156-Y158 PolarHBondContact O-N 3.07Å; Y158-I160 PolarHBondContact O-N 2.88Å; Y158-E161 PolarHBondContact O-N 3.48Å; Y158-K162 HydrophobicContact CE1-CB 4.42Å; Y158-K162 HydrophobicContact CE1-CD 3.83Å; Y158-K162 WeakPolarHBondContact O-CB 3.44Å; Y158-K162 PolarHBondContact O-N 3.28Å
159F94.5Very high89.4Confident2 Ų232.9 Ų32.91%0.00916%0.16CC..Hα-helixtrans-71.1-33.1-174.4-74.8-56.9000113.7E95 L98 Y155 Y156 E161 K162 S163 L169 Y206 Y209 I210E95-F159 HydrophobicContact CG-CE1 4.26Å; E95-F159 HydrophobicContact CG-CZ 4.33Å; L98-F159 HydrophobicContact CD2-CE2 3.65Å; L98-F159 HydrophobicContact CD2-CZ 3.78Å; Y155-F159 HydrophobicContact CD1-CE2 4.48Å; Y155-F159 WeakPolarHBondContact O-CD2 3.2Å; Y155-F159 PolarHBondContact O-N 2.98Å; Y156-F159 PolarHBondContact O-N 2.85Å; F159-E161 VanDerWaalsContact C-N 3.3Å; F159-E161 PolarHBondContact O-N 2.87Å; F159-K162 HydrophobicContact CD1-CD 4.21Å; F159-K162 HydrophobicContact CE1-CD 4.48Å; F159-K162 PolarHBondContact O-N 2.84Å; F159-S163 PolarHBondContact O-N 3.24Å; F159-L169 HydrophobicContact CD1-CD2 3.47Å; F159-L169 VanDerWaalsContact CD1-CD2 3.47Å; F159-L169 HydrophobicContact CD2-CD2 4.42Å; F159-L169 HydrophobicContact CE1-CD2 3.52Å; F159-L169 HydrophobicContact CE2-CD2 4.48Å; F159-L169 HydrophobicContact CG-CD1 4.41Å; F159-L169 HydrophobicContact CG-CD2 3.95Å; F159-L169 HydrophobicContact CZ-CD2 4.05Å; F159-Y206 HydrophobicContact CB-CD1 3.81Å; F159-Y206 HydrophobicContact CB-CE1 3.48Å; F159-Y206 VanDerWaalsContact CB-CE1 3.48Å; F159-Y206 HydrophobicContact CG-CD1 4.5Å; F159-Y206 HydrophobicContact CG-CE1 4.34Å; F159-Y209 HydrophobicContact CE2-CE1 4.42Å; F159-Y209 HydrophobicContact CZ-CE1 4.35Å; F159-I210 HydrophobicContact CD2-CD1 4.12Å; F159-I210 HydrophobicContact CD2-CG1 4.08Å; F159-I210 HydrophobicContact CE2-CG1 4.05Å
160I92Very high88.9Confident53 Ų5332.8 Ų32.827%0.27216%0.158SC..Hα-helixtrans-61.9-40.1173.2-78.6-162.2000111.6Y156 Y158 S163 Y206Y156-I160 HydrophobicContact CD2-CD1 4.07Å; Y156-I160 HydrophobicContact CD2-CG1 4.18Å; Y156-I160 HydrophobicContact CE1-CD1 3.95Å; Y156-I160 HydrophobicContact CE2-CD1 3.21Å; Y156-I160 HydrophobicContact CE2-CG1 3.78Å; Y156-I160 PolarHBondContact O-N 3.28Å; Y156-I160 WeakPolarHBondContact OH-CD1 3.48Å; Y158-I160 PolarHBondContact O-N 2.88Å; I160-S163 CarbonylContact O-C 3.51Å; I160-Y206 HydrophobicContact CG1-CD2 4.15Å; I160-Y206 HydrophobicContact CG1-CE2 3.78Å
161E93.3Very high88.2Confident20 Ų2041.8 Ų41.89%0.09319%0.192CC..Hα-helixtrans-77.5-33.6177.9-69.7-172.4-142.800112.5A82 I85 R157 Y158 F159 S163 I337 L338 F339A82-E161 VanDerWaalsContact CA-O 3.3Å; A82-E161 WeakPolarHBondContact CA-O 3.41Å; A82-E161 WeakPolarHBondContact CB-O 3.42Å; I85-E161 HydrophobicContact CD1-CB 3.48Å; I85-E161 VanDerWaalsContact CD1-CB 3.48Å; R157-E161 PolarHBondContact O-N 3.05Å; Y158-E161 PolarHBondContact O-N 3.48Å; F159-E161 VanDerWaalsContact C-N 3.3Å; F159-E161 PolarHBondContact O-N 2.87Å; E161-S163 VanDerWaalsContact C-N 3.31Å; E161-S163 PolarHBondContact O-N 3.22Å; E161-I337 WeakPolarHBondContact OE1-CB 3.43Å; E161-I337 WeakPolarHBondContact OE2-CB 3.26Å; E161-L338 WeakPolarHBondContact OE2-CA 3.35Å; E161-L338 PolarHBondContact OE2-N 3.41Å; E161-F339 HydrophobicContact CG-CB 4.25Å; E161-F339 WeakPolarHBondContact OE2-CB 3.48Å; E161-F339 PolarHBondContact OE2-N 3.35Å
162K93Very high87.6Confident42 Ų4249 Ų4918%0.18323%0.23CC..Hα-helixtrans-61.1-40.5175.1-176.6179.2172.3176.60111.6A82 I85 Q86 E95 Y158 F159A82-K162 VanDerWaalsContact CB-O 3.27Å; A82-K162 WeakPolarHBondContact CB-O 3.33Å; I85-K162 HydrophobicContact CG2-CB 3.82Å; I85-K162 HydrophobicContact CG2-CD 4.45Å; I85-K162 HydrophobicContact CG2-CG 3.95Å; Q86-K162 HydrophobicContact CG-CD 4.49Å; Q86-K162 HydrophobicContact CG-CG 3.83Å; Q86-K162 PolarHBondContact NE2-O 3.43Å; E95-K162 IonicContact OE1-NZ 3.32Å; E95-K162 PolarHBondContact OE1-NZ 3.2Å; E95-K162 IonicContact OE2-NZ 3.79Å; E95-K162 PolarHBondContact OE2-NZ 3.14Å; Y158-K162 HydrophobicContact CE1-CB 4.42Å; Y158-K162 HydrophobicContact CE1-CD 3.83Å; Y158-K162 WeakPolarHBondContact O-CB 3.44Å; Y158-K162 PolarHBondContact O-N 3.28Å; F159-K162 HydrophobicContact CD1-CD 4.21Å; F159-K162 HydrophobicContact CE1-CD 4.48Å; F159-K162 PolarHBondContact O-N 2.84Å
163S87Confident87.3Confident23 Ų2350.2 Ų50.216%0.16124%0.236CC..  trans-157.7131.1-177.6177.50000111.9F159 I160 E161 R165 S168 Y206F159-S163 PolarHBondContact O-N 3.24Å; I160-S163 CarbonylContact O-C 3.51Å; E161-S163 VanDerWaalsContact C-N 3.31Å; E161-S163 PolarHBondContact O-N 3.22Å; S163-R165 PolarHBondContact O-N 3.17Å; S163-R165 PolarHBondContact OG-N 2.89Å; S163-R165 PolarHBondContact OG-O 3Å; S163-S168 WeakPolarHBondContact CB-OG 3.27Å; S163-S168 VanDerWaalsContact OG-CB 3.23Å; S163-S168 WeakPolarHBondContact OG-CB 3.38Å; S163-S168 PolarHBondContact OG-OG 3.28Å; S163-Y206 PolarHBondContact O-OH 2.86Å
164D71.7Confident87.1Confident109 Ų10955.1 Ų55.158%0.58326%0.258SS*.SBendtrans-74-5.7176.7-163.221.7000113.1K202D164-K202 WeakPolarHBondContact O-CE 3.29Å; D164-K202 PolarHBondContact O-NZ 3.42Å; D164-K202 IonicContact OD1-NZ 2.67Å; D164-K202 PolarHBondContact OD1-NZ 3.07Å
165R78.5Confident87Confident169 Ų16963.1 Ų63.164%0.63830%0.295SS*.  trans-114.1119.7-178.8-54.6-175.290.5165.38.2110.1S163 D167 S168S163-R165 PolarHBondContact O-N 3.17Å; S163-R165 PolarHBondContact OG-N 2.89Å; S163-R165 PolarHBondContact OG-O 3Å; R165-D167 HydrophobicContact CB-CB 4.44Å; R165-D167 PolarHBondContact O-N 3.06Å; R165-S168 VanDerWaalsContact O-CB 3.3Å; R165-S168 WeakPolarHBondContact O-CB 3.49Å; R165-S168 PolarHBondContact O-N 3.42Å; R165-S168 PolarHBondContact O-OG 3.45Å
166L77.1Confident86.7Confident24 Ų2468.4 Ų68.413%0.12632%0.318CS..G310 helixtrans-54.7-34.1172-174.766.1000111.1S168 L169 Y170 Y206L166-S168 PolarHBondContact O-N 2.89Å; L166-L169 HydrophobicContact CD1-CD1 4.16Å; L166-L169 WeakPolarHBondContact O-CB 3.29Å; L166-L169 PolarHBondContact O-N 3.22Å; L166-Y170 HydrophobicContact CD1-CE1 4.5Å; L166-Y170 HydrophobicContact CD1-CE2 4.2Å; L166-Y170 HydrophobicContact CD2-CE2 3.56Å; L166-Y170 HydrophobicContact CG-CD2 4.15Å; L166-Y170 HydrophobicContact CG-CE2 3.47Å; L166-Y170 VanDerWaalsContact CG-CE2 3.47Å; L166-Y206 HydrophobicContact CD1-CD1 3.73Å; L166-Y206 HydrophobicContact CD1-CD2 3.82Å; L166-Y206 HydrophobicContact CD1-CE1 3.68Å; L166-Y206 HydrophobicContact CD1-CE2 3.83Å; L166-Y206 HydrophobicContact CD1-CG 3.75Å
167D75.3Confident86.7Confident95 Ų9567.4 Ų67.451%0.50832%0.315SS..G310 helixtrans-52.8-25.6174.9-51-24.4000113.6R165 L169 Y170 R171R165-D167 HydrophobicContact CB-CB 4.44Å; R165-D167 PolarHBondContact O-N 3.06Å; D167-L169 VanDerWaalsContact C-N 3.35Å; D167-Y170 CarbonylContact O-C 3.57Å; D167-Y170 PolarHBondContact O-N 2.97Å; D167-R171 PolarHBondContact O-N 3.21Å; D167-R171 VanDerWaalsContact O-N 3.08Å
168S79.7Confident86.6Confident40 Ų4067.5 Ų67.528%0.2832%0.318SS..G310 helixtrans-67.8-32.8176.467.50000113.3S163 R165 L166 Y170S163-S168 WeakPolarHBondContact CB-OG 3.27Å; S163-S168 VanDerWaalsContact OG-CB 3.23Å; S163-S168 WeakPolarHBondContact OG-CB 3.38Å; S163-S168 PolarHBondContact OG-OG 3.28Å; R165-S168 VanDerWaalsContact O-CB 3.3Å; R165-S168 WeakPolarHBondContact O-CB 3.49Å; R165-S168 PolarHBondContact O-N 3.42Å; R165-S168 PolarHBondContact O-OG 3.45Å; L166-S168 PolarHBondContact O-N 2.89Å; S168-Y170 VanDerWaalsContact C-N 3.27Å
169L81Confident86.6Confident16 Ų1672.8 Ų72.88%0.08434%0.341CS..THydrogen-bonded Turntrans-70.1-30.3171.1-71.9-170000112.2F159 L166 D167 R171 Y206 Y209F159-L169 HydrophobicContact CD1-CD2 3.47Å; F159-L169 VanDerWaalsContact CD1-CD2 3.47Å; F159-L169 HydrophobicContact CD2-CD2 4.42Å; F159-L169 HydrophobicContact CE1-CD2 3.52Å; F159-L169 HydrophobicContact CE2-CD2 4.48Å; F159-L169 HydrophobicContact CG-CD1 4.41Å; F159-L169 HydrophobicContact CG-CD2 3.95Å; F159-L169 HydrophobicContact CZ-CD2 4.05Å; L166-L169 HydrophobicContact CD1-CD1 4.16Å; L166-L169 WeakPolarHBondContact O-CB 3.29Å; L166-L169 PolarHBondContact O-N 3.22Å; D167-L169 VanDerWaalsContact C-N 3.35Å; L169-R171 VanDerWaalsContact C-N 3.34Å; L169-Y206 HydrophobicContact CD1-CD1 3.22Å; L169-Y206 HydrophobicContact CD1-CE1 3.16Å; L169-Y206 HydrophobicContact CD1-CG 4.45Å; L169-Y206 HydrophobicContact CG-CD1 4.28Å; L169-Y206 HydrophobicContact CG-CE1 3.73Å; L169-Y209 HydrophobicContact CB-CE2 4.45Å; L169-Y209 HydrophobicContact CD1-CD1 3.68Å; L169-Y209 HydrophobicContact CD1-CE1 4.11Å; L169-Y209 HydrophobicContact CD1-CG 3.93Å; L169-Y209 HydrophobicContact CD2-CD1 4.47Å; L169-Y209 HydrophobicContact CD2-CE1 4.07Å
170Y83.3Confident86.7Confident3 Ų372.9 Ų72.91%0.01234%0.342CS..THydrogen-bonded Turntrans-95.38.7-174.3-58.1-21.7000112.9L166 D167 S168 D172 L173 I178 I181 G205 Y209L166-Y170 HydrophobicContact CD1-CE1 4.5Å; L166-Y170 HydrophobicContact CD1-CE2 4.2Å; L166-Y170 HydrophobicContact CD2-CE2 3.56Å; L166-Y170 HydrophobicContact CG-CD2 4.15Å; L166-Y170 HydrophobicContact CG-CE2 3.47Å; L166-Y170 VanDerWaalsContact CG-CE2 3.47Å; D167-Y170 CarbonylContact O-C 3.57Å; D167-Y170 PolarHBondContact O-N 2.97Å; S168-Y170 VanDerWaalsContact C-N 3.27Å; Y170-D172 PolarHBondContact O-N 3.38Å; Y170-D172 VanDerWaalsContact O-N 3.17Å; Y170-L173 HydrophobicContact CD1-CD1 3.55Å; Y170-L173 HydrophobicContact CD1-CG 4.48Å; Y170-L173 HydrophobicContact CE1-CD1 4.31Å; Y170-L173 HydrophobicContact CG-CD1 3.98Å; Y170-L173 WeakPolarHBondContact O-CA 3.5Å; Y170-L173 WeakPolarHBondContact O-CB 3.31Å; Y170-L173 PolarHBondContact O-N 2.76Å; Y170-I178 HydrophobicContact CD2-CG1 4.34Å; Y170-I178 HydrophobicContact CD2-CG2 3.92Å; Y170-I178 HydrophobicContact CG-CG1 4.32Å; Y170-I181 HydrophobicContact CD1-CD1 4.45Å; Y170-I181 HydrophobicContact CE1-CD1 3.91Å; Y170-G205 PolarHBondContact OH-O 3.39Å; Y170-Y209 HydrophobicContact CD1-CD2 4.29Å; Y170-Y209 AromaticContact CE1-CD2 3.94Å; Y170-Y209 HydrophobicContact CE1-CD2 3.94Å; Y170-Y209 HydrophobicContact CE1-CG 4.43Å
171R79.1Confident86.8Confident198 Ų19870.4 Ų70.475%0.74733%0.33SS*.THydrogen-bonded Turntrans-55.5-37.4-176.9-175-174.9-64.4-164.41.3112.4D167 L169 L173D167-R171 PolarHBondContact O-N 3.21Å; D167-R171 VanDerWaalsContact O-N 3.08Å; L169-R171 VanDerWaalsContact C-N 3.34Å; R171-L173 VanDerWaalsContact C-N 3.31Å
172D85.6Confident86.9Confident152 Ų15272 Ų7281%0.81334%0.34SS*.THydrogen-bonded Turntrans-89.60.6-179.3-56.1-36.9000112.7Y170Y170-D172 PolarHBondContact O-N 3.38Å; Y170-D172 VanDerWaalsContact O-N 3.17Å
173L89.7Confident87.1Confident24 Ų2473.2 Ų73.213%0.12635%0.347CS..SBendtrans-92.6143.5177.1-55.9-172.4000111Y170 R171 Q177 I178 I181 V248Y170-L173 HydrophobicContact CD1-CD1 3.55Å; Y170-L173 HydrophobicContact CD1-CG 4.48Å; Y170-L173 HydrophobicContact CE1-CD1 4.31Å; Y170-L173 HydrophobicContact CG-CD1 3.98Å; Y170-L173 WeakPolarHBondContact O-CA 3.5Å; Y170-L173 WeakPolarHBondContact O-CB 3.31Å; Y170-L173 PolarHBondContact O-N 2.76Å; R171-L173 VanDerWaalsContact C-N 3.31Å; L173-Q177 HydrophobicContact CB-CB 4.22Å; L173-I178 HydrophobicContact CB-CD1 4.45Å; L173-I178 HydrophobicContact CB-CG1 3.89Å; L173-I181 HydrophobicContact CD1-CD1 4.05Å; L173-V248 HydrophobicContact CD2-CB 4.39Å; L173-V248 HydrophobicContact CD2-CG1 3.49Å; L173-V248 VanDerWaalsContact CD2-CG1 3.49Å; L173-V248 HydrophobicContact CD2-CG2 3.97Å
174K92.1Very high87.6Confident111 Ų11172.1 Ų72.148%0.48334%0.339SS..  trans-72.9153.8173.4-58.3173.1-171.3162.80109.9F176 Q177 I178 E247K174-F176 VanDerWaalsContact C-N 3.29Å; K174-F176 HydrophobicContact CB-CD1 3.84Å; K174-F176 HydrophobicContact CB-CE1 3.65Å; K174-F176 HydrophobicContact CB-CZ 4.41Å; K174-F176 HydrophobicContact CD-CD1 4.38Å; K174-F176 HydrophobicContact CD-CE1 3.42Å; K174-F176 VanDerWaalsContact CD-CE1 3.42Å; K174-F176 HydrophobicContact CD-CZ 3.94Å; K174-F176 HydrophobicContact CG-CE1 4.19Å; K174-F176 PolarHBondContact O-N 2.93Å; K174-F176 VanDerWaalsContact O-N 3.15Å; K174-Q177 HydrophobicContact CB-CG 4.2Å; K174-Q177 WeakPolarHBondContact O-CA 3.37Å; K174-Q177 VanDerWaalsContact O-CB 3.29Å; K174-Q177 WeakPolarHBondContact O-CB 3.25Å; K174-Q177 PolarHBondContact O-N 3.49Å; K174-I178 PolarHBondContact O-N 2.89Å; K174-I178 VanDerWaalsContact O-N 3.13Å; K174-E247 IonicContact NZ-OE1 3.6Å; K174-E247 PolarHBondContact NZ-OE1 3.29Å
175E91.9Very high88.8Confident169 Ų16967.2 Ų67.279%0.7931%0.313SS*.Hα-helixtrans-51.5-43.7-177.8-172.5-178.2174.300113.6Q177 I178 K179E175-Q177 VanDerWaalsContact C-N 3.27Å; E175-Q177 PolarHBondContact O-N 2.96Å; E175-I178 PolarHBondContact O-N 3.48Å; E175-K179 WeakPolarHBondContact O-CB 3.39Å; E175-K179 PolarHBondContact O-N 3Å
176F92.2Very high89.6Confident111 Ų11162.5 Ų62.549%0.48730%0.301SS..Hα-helixtrans-67.4-25.8178.675.1-94.6000113.5K174 A180 E247K174-F176 VanDerWaalsContact C-N 3.29Å; K174-F176 HydrophobicContact CB-CD1 3.84Å; K174-F176 HydrophobicContact CB-CE1 3.65Å; K174-F176 HydrophobicContact CB-CZ 4.41Å; K174-F176 HydrophobicContact CD-CD1 4.38Å; K174-F176 HydrophobicContact CD-CE1 3.42Å; K174-F176 VanDerWaalsContact CD-CE1 3.42Å; K174-F176 HydrophobicContact CD-CZ 3.94Å; K174-F176 HydrophobicContact CG-CE1 4.19Å; K174-F176 PolarHBondContact O-N 2.93Å; K174-F176 VanDerWaalsContact O-N 3.15Å; F176-A180 WeakPolarHBondContact O-CB 3.26Å; F176-A180 PolarHBondContact O-N 3.35Å; F176-E247 WeakPolarHBondContact CE2-OE2 3.3Å; F176-E247 WeakPolarHBondContact CZ-OE2 3.45Å
177Q93.7Very high90.6Very high9 Ų962.3 Ų62.34%0.04230%0.299CS..Hα-helixtrans-74.8-43177.3-62.8171.5-21.900109.8L173 K174 E175 K179 A180 I181 M244 E247 V248L173-Q177 HydrophobicContact CB-CB 4.22Å; K174-Q177 HydrophobicContact CB-CG 4.2Å; K174-Q177 WeakPolarHBondContact O-CA 3.37Å; K174-Q177 VanDerWaalsContact O-CB 3.29Å; K174-Q177 WeakPolarHBondContact O-CB 3.25Å; K174-Q177 PolarHBondContact O-N 3.49Å; E175-Q177 VanDerWaalsContact C-N 3.27Å; E175-Q177 PolarHBondContact O-N 2.96Å; Q177-K179 VanDerWaalsContact C-N 3.32Å; Q177-A180 PolarHBondContact O-N 3.48Å; Q177-I181 WeakPolarHBondContact O-CG1 3.32Å; Q177-I181 PolarHBondContact O-N 3.36Å; Q177-M244 HydrophobicContact CB-CG 3.53Å; Q177-M244 HydrophobicContact CG-CG 3.85Å; Q177-E247 PolarHBondContact NE2-OE1 2.99Å; Q177-E247 PolarHBondContact NE2-OE2 3.25Å; Q177-E247 VanDerWaalsContact NE2-OE2 3.11Å; Q177-V248 HydrophobicContact CG-CG2 4.15Å; Q177-V248 VanDerWaalsContact NE2-CG2 3.3Å
178I93.2Very high91.7Very high45 Ų4557.8 Ų57.823%0.23128%0.275CS..Hα-helixtrans-59.2-47.8171.7-56.8-178.4000109.8Y170 L173 K174 E175 A180 I181 T182Y170-I178 HydrophobicContact CD2-CG1 4.34Å; Y170-I178 HydrophobicContact CD2-CG2 3.92Å; Y170-I178 HydrophobicContact CG-CG1 4.32Å; L173-I178 HydrophobicContact CB-CD1 4.45Å; L173-I178 HydrophobicContact CB-CG1 3.89Å; K174-I178 PolarHBondContact O-N 2.89Å; K174-I178 VanDerWaalsContact O-N 3.13Å; E175-I178 PolarHBondContact O-N 3.48Å; I178-A180 VanDerWaalsContact C-N 3.31Å; I178-A180 PolarHBondContact O-N 3.19Å; I178-I181 PolarHBondContact O-N 2.9Å; I178-I181 VanDerWaalsContact O-N 3.1Å; I178-T182 HydrophobicContact CG2-CG2 4.25Å; I178-T182 WeakPolarHBondContact O-CG2 3.49Å; I178-T182 PolarHBondContact O-N 3.22Å; I178-T182 PolarHBondContact O-OG1 3.41Å
179K94.4Very high92.5Very high113 Ų11356 Ų5649%0.49126%0.262SS..Hα-helixtrans-57-42.3177.2-174.9173.7174.5175.40112.4E175 Q177 I181 T182 E183E175-K179 WeakPolarHBondContact O-CB 3.39Å; E175-K179 PolarHBondContact O-N 3Å; Q177-K179 VanDerWaalsContact C-N 3.32Å; K179-I181 VanDerWaalsContact C-N 3.29Å; K179-I181 PolarHBondContact O-N 3.38Å; K179-T182 WeakPolarHBondContact CA-OG1 3.43Å; K179-T182 PolarHBondContact O-N 3.08Å; K179-T182 PolarHBondContact O-OG1 3.17Å; K179-E183 VanDerWaalsContact CE-CD 3.49Å; K179-E183 WeakPolarHBondContact CE-OE1 3.31Å; K179-E183 HydrophobicContact CG-CG 4.04Å; K179-E183 IonicContact NZ-OE1 3.02Å; K179-E183 VanDerWaalsContact O-CB 3.31Å; K179-E183 WeakPolarHBondContact O-CB 3.23Å; K179-E183 WeakPolarHBondContact O-CG 3.44Å; K179-E183 PolarHBondContact O-N 2.87Å
180A96.2Very high93.2Very high5 Ų562.3 Ų62.34%0.04129%0.291CS..Hα-helixtrans-61.8-36.2177.200000112.8F176 Q177 I178 L184 A240 M244F176-A180 WeakPolarHBondContact O-CB 3.26Å; F176-A180 PolarHBondContact O-N 3.35Å; Q177-A180 PolarHBondContact O-N 3.48Å; I178-A180 VanDerWaalsContact C-N 3.31Å; I178-A180 PolarHBondContact O-N 3.19Å; A180-L184 WeakPolarHBondContact O-CB 3.33Å; A180-L184 PolarHBondContact O-N 3.37Å; A180-A240 HydrophobicContact CB-CB 4.29Å; A180-M244 HydrophobicContact CB-CB 4.05Å; A180-M244 HydrophobicContact CB-CG 4.47Å
181I95Very high93.7Very high1 Ų165 Ų651%0.00531%0.308CS..Hα-helixtrans-71.1-49.6175.4-59.8171.9000110.2Y170 L173 Q177 I178 K179 L184 V185 M208 F241 M244Y170-I181 HydrophobicContact CD1-CD1 4.45Å; Y170-I181 HydrophobicContact CE1-CD1 3.91Å; L173-I181 HydrophobicContact CD1-CD1 4.05Å; Q177-I181 WeakPolarHBondContact O-CG1 3.32Å; Q177-I181 PolarHBondContact O-N 3.36Å; I178-I181 PolarHBondContact O-N 2.9Å; I178-I181 VanDerWaalsContact O-N 3.1Å; K179-I181 VanDerWaalsContact C-N 3.29Å; K179-I181 PolarHBondContact O-N 3.38Å; I181-L184 PolarHBondContact O-N 3.08Å; I181-V185 WeakPolarHBondContact O-CG2 3.49Å; I181-V185 PolarHBondContact O-N 3.06Å; I181-M208 HydrophobicContact CG2-CE 3.52Å; I181-F241 HydrophobicContact CG1-CD2 4.41Å; I181-F241 HydrophobicContact CG1-CE2 4.19Å; I181-M244 HydrophobicContact CD1-CE 3.92Å; I181-M244 HydrophobicContact CD1-SD 4.34Å; I181-M244 HydrophobicContact CG1-CE 3.47Å; I181-M244 VanDerWaalsContact CG1-CE 3.47Å; I181-M244 HydrophobicContact CG1-SD 4.4Å
182T94.5Very high94.5Very high52 Ų5256.4 Ų56.432%0.31928%0.277SS..Hα-helixtrans-68.2-38.8-174.956.20000112.4I178 K179 L184 V185 N186I178-T182 HydrophobicContact CG2-CG2 4.25Å; I178-T182 WeakPolarHBondContact O-CG2 3.49Å; I178-T182 PolarHBondContact O-N 3.22Å; I178-T182 PolarHBondContact O-OG1 3.41Å; K179-T182 WeakPolarHBondContact CA-OG1 3.43Å; K179-T182 PolarHBondContact O-N 3.08Å; K179-T182 PolarHBondContact O-OG1 3.17Å; T182-L184 VanDerWaalsContact C-N 3.33Å; T182-L184 PolarHBondContact O-N 2.71Å; T182-V185 PolarHBondContact O-N 2.89Å; T182-N186 WeakPolarHBondContact O-CB 3.45Å; T182-N186 PolarHBondContact O-N 3.11Å; T182-N186 PolarHBondContact O-ND2 3.27Å; T182-N186 PolarHBondContact O-OD1 3.48Å; T182-N186 VanDerWaalsContact O-OD1 3.07Å
183E97.1Very high94.9Very high69 Ų6957.2 Ų57.232%0.32227%0.273SS..Hα-helixtrans-63.1-39174.1-74.2-178.7159.200112.1K179 N186 Q187 I237K179-E183 VanDerWaalsContact CE-CD 3.49Å; K179-E183 WeakPolarHBondContact CE-OE1 3.31Å; K179-E183 HydrophobicContact CG-CG 4.04Å; K179-E183 IonicContact NZ-OE1 3.02Å; K179-E183 VanDerWaalsContact O-CB 3.31Å; K179-E183 WeakPolarHBondContact O-CB 3.23Å; K179-E183 WeakPolarHBondContact O-CG 3.44Å; K179-E183 PolarHBondContact O-N 2.87Å; E183-N186 PolarHBondContact O-N 3.32Å; E183-Q187 WeakPolarHBondContact O-CB 3.49Å; E183-Q187 PolarHBondContact O-N 3.27Å; E183-I237 HydrophobicContact CB-CD1 4.46Å; E183-I237 HydrophobicContact CB-CG1 4.49Å; E183-I237 HydrophobicContact CB-CG2 4.47Å
184L97.9Very high95.1Very high0 Ų056.9 Ų56.90%027%0.272CS..Hα-helixtrans-62.9-48.1174.7-171.6159.4000111.2A180 I181 T182 N186 F188 M208 P233 I237 L238 F241 L262A180-L184 WeakPolarHBondContact O-CB 3.33Å; A180-L184 PolarHBondContact O-N 3.37Å; I181-L184 PolarHBondContact O-N 3.08Å; T182-L184 VanDerWaalsContact C-N 3.33Å; T182-L184 PolarHBondContact O-N 2.71Å; L184-N186 VanDerWaalsContact C-N 3.31Å; L184-N186 PolarHBondContact O-N 3.1Å; L184-F188 WeakPolarHBondContact O-CB 3.05Å; L184-F188 PolarHBondContact O-N 3.38Å; L184-M208 HydrophobicContact CD1-SD 4.43Å; L184-M208 HydrophobicContact CD2-CE 4.17Å; L184-M208 HydrophobicContact CD2-SD 3.59Å; L184-M208 VanDerWaalsContact CD2-SD 3.59Å; L184-M208 HydrophobicContact CG-SD 4.48Å; L184-P233 HydrophobicContact CD2-CG 4.38Å; L184-P233 HydrophobicContact CG-CG 4.13Å; L184-I237 HydrophobicContact CB-CG2 3.91Å; L184-I237 HydrophobicContact CG-CG2 4.41Å; L184-L238 HydrophobicContact CD1-CD2 4.37Å; L184-F241 HydrophobicContact CD1-CB 3.57Å; L184-F241 HydrophobicContact CD1-CD1 3.39Å; L184-F241 HydrophobicContact CD1-CD2 3.77Å; L184-F241 HydrophobicContact CD1-CE1 3.93Å; L184-F241 HydrophobicContact CD1-CE2 4.27Å; L184-F241 HydrophobicContact CD1-CG 3.29Å; L184-F241 HydrophobicContact CD1-CZ 4.34Å; L184-L262 HydrophobicContact CD2-CD1 4.23Å; L184-L262 HydrophobicContact CD2-CD2 4.32Å
185V96.9Very high94.9Very high6 Ų656.8 Ų56.84%0.03627%0.273CS..Hα-helixtrans-54.5-50.5173.8173.40000110.6I181 T182 Q187 F188 I189 R201 L204 M208I181-V185 WeakPolarHBondContact O-CG2 3.49Å; I181-V185 PolarHBondContact O-N 3.06Å; T182-V185 PolarHBondContact O-N 2.89Å; V185-Q187 PolarHBondContact O-N 3.14Å; V185-F188 PolarHBondContact O-N 3.02Å; V185-I189 HydrophobicContact CG1-CD1 3.8Å; V185-I189 WeakPolarHBondContact O-CG1 3.13Å; V185-I189 PolarHBondContact O-N 3.28Å; V185-R201 HydrophobicContact CG1-CB 4.11Å; V185-R201 HydrophobicContact CG1-CG 4.09Å; V185-L204 HydrophobicContact CG1-CB 4.08Å; V185-L204 HydrophobicContact CG1-CD1 3.99Å; V185-L204 HydrophobicContact CG2-CB 3.97Å; V185-M208 HydrophobicContact CG2-CE 3.2Å
186N96.6Very high94.9Very high70 Ų7053.5 Ų53.537%0.37426%0.261SS..Hα-helixtrans-62.9-47-173.1-63.7-8.6000111.6T182 E183 L184 Q190 R201T182-N186 WeakPolarHBondContact O-CB 3.45Å; T182-N186 PolarHBondContact O-N 3.11Å; T182-N186 PolarHBondContact O-ND2 3.27Å; T182-N186 PolarHBondContact O-OD1 3.48Å; T182-N186 VanDerWaalsContact O-OD1 3.07Å; E183-N186 PolarHBondContact O-N 3.32Å; L184-N186 VanDerWaalsContact C-N 3.31Å; L184-N186 PolarHBondContact O-N 3.1Å; N186-Q190 WeakPolarHBondContact O-CB 3.23Å; N186-Q190 PolarHBondContact O-N 2.86Å; N186-Q190 VanDerWaalsContact O-N 3.1Å; N186-R201 PolarHBondContact OD1-NH1 2.86Å
187Q97.8Very high94.9Very high19 Ų1950.4 Ų50.49%0.08925%0.249CC..Hα-helixtrans-71.1-35.2179-169175.254.300111.8E183 V185 I189 Q190 V191 P233 E234 I237E183-Q187 WeakPolarHBondContact O-CB 3.49Å; E183-Q187 PolarHBondContact O-N 3.27Å; V185-Q187 PolarHBondContact O-N 3.14Å; Q187-I189 PolarHBondContact O-N 3.24Å; Q187-Q190 PolarHBondContact O-N 2.83Å; Q187-V191 HydrophobicContact CG-CG2 3.82Å; Q187-V191 WeakPolarHBondContact O-CB 3.32Å; Q187-V191 VanDerWaalsContact O-CG2 3.29Å; Q187-V191 WeakPolarHBondContact O-CG2 3.2Å; Q187-V191 PolarHBondContact O-N 2.71Å; Q187-P233 HydrophobicContact CB-CB 4.25Å; Q187-P233 HydrophobicContact CG-CB 4.18Å; Q187-E234 VanDerWaalsContact NE2-CG 3.29Å; Q187-E234 PolarHBondContact NE2-OE2 3.18Å; Q187-I237 HydrophobicContact CB-CD1 3.94Å; Q187-I237 HydrophobicContact CG-CD1 4.21Å
188F97.4Very high94.7Very high0 Ų057.1 Ų57.10%028%0.275CS..Hα-helixtrans-61.7-43.7176.5-177-114.6000112L184 V185 N192 L194 L204 L230 P233 L262 Y266L184-F188 WeakPolarHBondContact O-CB 3.05Å; L184-F188 PolarHBondContact O-N 3.38Å; V185-F188 PolarHBondContact O-N 3.02Å; F188-N192 WeakPolarHBondContact CD2-ND2 3.32Å; F188-N192 VanDerWaalsContact CE2-ND2 3.25Å; F188-N192 WeakPolarHBondContact CE2-ND2 3.45Å; F188-N192 WeakPolarHBondContact O-CB 3.22Å; F188-N192 PolarHBondContact O-N 3.42Å; F188-N192 PolarHBondContact O-ND2 3Å; F188-L194 HydrophobicContact CD1-CD1 3.85Å; F188-L194 HydrophobicContact CE1-CD1 3.61Å; F188-L194 HydrophobicContact CZ-CD1 4.32Å; F188-L204 HydrophobicContact CD1-CD1 4.19Å; F188-L204 HydrophobicContact CD1-CD2 4.41Å; F188-L204 HydrophobicContact CE1-CD2 4.33Å; F188-L230 HydrophobicContact CE2-CB 4.34Å; F188-L230 HydrophobicContact CZ-CB 4.48Å; F188-L230 HydrophobicContact CZ-CD1 3.98Å; F188-P233 HydrophobicContact CB-CG 3.89Å; F188-P233 HydrophobicContact CD2-CG 4.38Å; F188-L262 HydrophobicContact CD1-CD1 4.39Å; F188-L262 HydrophobicContact CD1-CD2 4.08Å; F188-L262 HydrophobicContact CD2-CD1 3.98Å; F188-L262 HydrophobicContact CE1-CD1 4.35Å; F188-L262 HydrophobicContact CE1-CD2 4.12Å; F188-L262 HydrophobicContact CE2-CD1 3.95Å; F188-L262 HydrophobicContact CG-CD1 4.2Å; F188-L262 HydrophobicContact CZ-CD1 4.13Å; F188-Y266 AromaticContact CE2-CE2 3.85Å; F188-Y266 HydrophobicContact CE2-CE2 3.85Å; F188-Y266 HydrophobicContact CZ-CE2 4Å
189I96.2Very high94.5Very high4 Ų460.5 Ų60.52%0.02129%0.292CS..Hα-helixtrans-61.1-48.8173.7-70.2170000110.5V185 Q187 K193 L194 D196 R201 L204V185-I189 HydrophobicContact CG1-CD1 3.8Å; V185-I189 WeakPolarHBondContact O-CG1 3.13Å; V185-I189 PolarHBondContact O-N 3.28Å; Q187-I189 PolarHBondContact O-N 3.24Å; I189-K193 WeakPolarHBondContact O-CA 3.16Å; I189-K193 PolarHBondContact O-N 2.95Å; I189-L194 HydrophobicContact CB-CB 4.5Å; I189-L194 HydrophobicContact CG1-CB 4.44Å; I189-L194 HydrophobicContact CG2-CB 4.3Å; I189-L194 PolarHBondContact O-N 3.4Å; I189-D196 HydrophobicContact CG2-CB 4.01Å; I189-R201 HydrophobicContact CD1-CB 4.45Å; I189-R201 HydrophobicContact CD1-CG 3.42Å; I189-R201 VanDerWaalsContact CD1-CG 3.42Å; I189-L204 HydrophobicContact CD1-CD1 3.98Å; I189-L204 HydrophobicContact CG1-CD1 3.79Å
190Q95.7Very high94.4Very high147 Ų14756.6 Ų56.669%0.68728%0.279SS*.Hα-helixtrans-63.4-50.8-175.9-176.5-1760.500112.5N186 Q187 N192 K193N186-Q190 WeakPolarHBondContact O-CB 3.23Å; N186-Q190 PolarHBondContact O-N 2.86Å; N186-Q190 VanDerWaalsContact O-N 3.1Å; Q187-Q190 PolarHBondContact O-N 2.83Å; Q190-N192 VanDerWaalsContact C-N 3.3Å; Q190-N192 PolarHBondContact O-N 3.01Å; Q190-K193 PolarHBondContact O-N 3.29Å
191V95.6Very high94.2Very high60 Ų6059.5 Ų59.536%0.36429%0.289SS..Hα-helixtrans-63.9-38.5-1761720000110.9Q187 M231Q187-V191 HydrophobicContact CG-CG2 3.82Å; Q187-V191 WeakPolarHBondContact O-CB 3.32Å; Q187-V191 VanDerWaalsContact O-CG2 3.29Å; Q187-V191 WeakPolarHBondContact O-CG2 3.2Å; Q187-V191 PolarHBondContact O-N 2.71Å; V191-M231 HydrophobicContact CG1-CB 3.61Å; V191-M231 HydrophobicContact CG1-CG 4.44Å
192N95.3Very high94.1Very high18 Ų1860.3 Ų60.310%0.09629%0.292CS..Hα-helixtrans-931.2-178.4-65.4-67.2000114F188 Q190 L194 L230 M231F188-N192 WeakPolarHBondContact CD2-ND2 3.32Å; F188-N192 VanDerWaalsContact CE2-ND2 3.25Å; F188-N192 WeakPolarHBondContact CE2-ND2 3.45Å; F188-N192 WeakPolarHBondContact O-CB 3.22Å; F188-N192 PolarHBondContact O-N 3.42Å; F188-N192 PolarHBondContact O-ND2 3Å; Q190-N192 VanDerWaalsContact C-N 3.3Å; Q190-N192 PolarHBondContact O-N 3.01Å; N192-L194 HydrophobicContact CB-CD1 4.31Å; N192-L194 HydrophobicContact CB-CD2 3.85Å; N192-L194 HydrophobicContact CB-CG 3.77Å; N192-L194 PolarHBondContact O-N 3.06Å; N192-L230 HydrophobicContact CB-CD2 3.82Å; N192-L230 WeakPolarHBondContact OD1-CA 3.19Å; N192-M231 PolarHBondContact ND2-O 2.95Å; N192-M231 PolarHBondContact OD1-N 2.64Å
193K93.6Very high94Very high169 Ų16959.1 Ų59.174%0.73528%0.282SS*.THydrogen-bonded Turntrans50.942.6-177.5-54.1177-177177.50112I189 Q190 S273I189-K193 WeakPolarHBondContact O-CA 3.16Å; I189-K193 PolarHBondContact O-N 2.95Å; Q190-K193 PolarHBondContact O-N 3.29Å; K193-S273 WeakPolarHBondContact O-CB 3.48Å
194L93.2Very high93.9Very high17 Ų1756.3 Ų56.39%0.08927%0.27CS..  trans-74.2163.5175.9-52.5-179.3000109.8F188 I189 N192 D196 L230 A272F188-L194 HydrophobicContact CD1-CD1 3.85Å; F188-L194 HydrophobicContact CE1-CD1 3.61Å; F188-L194 HydrophobicContact CZ-CD1 4.32Å; I189-L194 HydrophobicContact CB-CB 4.5Å; I189-L194 HydrophobicContact CG1-CB 4.44Å; I189-L194 HydrophobicContact CG2-CB 4.3Å; I189-L194 PolarHBondContact O-N 3.4Å; N192-L194 HydrophobicContact CB-CD1 4.31Å; N192-L194 HydrophobicContact CB-CD2 3.85Å; N192-L194 HydrophobicContact CB-CG 3.77Å; N192-L194 PolarHBondContact O-N 3.06Å; L194-D196 PolarHBondContact O-N 3.47Å; L194-L230 HydrophobicContact CD2-CD2 4.34Å; L194-A272 HydrophobicContact CB-CB 4.44Å; L194-A272 HydrophobicContact CD2-CB 4.45Å
195E89.2Confident93.8Very high108 Ų10856.4 Ų56.451%0.50527%0.27SS..  trans-56.2122.1173.6-166.4-173.3176.800111.7N197 A272E195-N197 PolarHBondContact OE1-ND2 2.75Å; E195-N197 PolarHBondContact OE2-ND2 2.86Å; E195-A272 HydrophobicContact CB-CB 4.43Å; E195-A272 PolarHBondContact N-O 2.69Å
196D91.1Very high93.7Very high101 Ų10156.1 Ų56.154%0.5427%0.268SS..  trans-100.986-178-173.70.2000111.1I189 L194 R201I189-D196 HydrophobicContact CG2-CB 4.01Å; L194-D196 PolarHBondContact O-N 3.47Å; D196-R201 IonicContact OD1-CZ 2.87Å; D196-R201 IonicContact OD1-NE 2.66Å; D196-R201 PolarHBondContact OD1-NE 3.11Å; D196-R201 IonicContact OD1-NH2 2.79Å; D196-R201 PolarHBondContact OD1-NH2 2.69Å; D196-R201 IonicContact OD2-CZ 3.31Å; D196-R201 IonicContact OD2-NH2 2.6Å; D196-R201 PolarHBondContact OD2-NH2 3.01Å
197N91.6Very high93.6Very high45 Ų4552.8 Ų52.824%0.24125%0.251CS..SBendtrans-136.3165171.575.349.7000111.3E195 I199 S200 R201E195-N197 PolarHBondContact OE1-ND2 2.75Å; E195-N197 PolarHBondContact OE2-ND2 2.86Å; N197-I199 VanDerWaalsContact C-N 3.28Å; N197-I199 PolarHBondContact O-N 3.06Å; N197-I199 WeakPolarHBondContact OD1-CA 3.23Å; N197-I199 WeakPolarHBondContact OD1-CB 3.28Å; N197-I199 PolarHBondContact OD1-N 2.84Å; N197-S200 PolarHBondContact ND2-OG 3.47Å; N197-S200 PolarHBondContact O-N 3.18Å; N197-S200 PolarHBondContact OD1-N 3.34Å; N197-S200 PolarHBondContact OD1-OG 3.46Å; N197-R201 WeakPolarHBondContact O-CG 3.2Å; N197-R201 PolarHBondContact O-N 2.99Å; N197-R201 VanDerWaalsContact O-N 3.08Å
198Y90.7Very high93.6Very high151 Ų15152 Ų5259%0.59225%0.247SC*.Hα-helixtrans-57.4-39.3-178.4175.6-103.2000113.1K202Y198-K202 HydrophobicContact CE1-CD 3.98Å; Y198-K202 VanDerWaalsContact O-CB 3.26Å; Y198-K202 WeakPolarHBondContact O-CB 3.45Å; Y198-K202 PolarHBondContact O-N 2.98Å
199I89.8Confident93.5Very high116 Ų11652.9 Ų52.960%0.59525%0.25SS*.Hα-helixtrans-69.3-45.8-177.2-61.4171.6000110.3N197 K202 R203N197-I199 VanDerWaalsContact C-N 3.28Å; N197-I199 PolarHBondContact O-N 3.06Å; N197-I199 WeakPolarHBondContact OD1-CA 3.23Å; N197-I199 WeakPolarHBondContact OD1-CB 3.28Å; N197-I199 PolarHBondContact OD1-N 2.84Å; I199-K202 PolarHBondContact O-N 3.41Å; I199-R203 WeakPolarHBondContact O-CB 3.34Å; I199-R203 PolarHBondContact O-N 2.73Å
200S90.4Very high93.5Very high30 Ų3052.7 Ų52.721%0.2125%0.249CC..Hα-helixtrans-63.3-43178.5-610000111.7N197 K202 R203 L204N197-S200 PolarHBondContact ND2-OG 3.47Å; N197-S200 PolarHBondContact O-N 3.18Å; N197-S200 PolarHBondContact OD1-N 3.34Å; N197-S200 PolarHBondContact OD1-OG 3.46Å; S200-K202 PolarHBondContact O-N 3.01Å; S200-R203 WeakPolarHBondContact O-CB 3.47Å; S200-R203 PolarHBondContact O-N 2.95Å; S200-L204 PolarHBondContact O-N 2.94Å; S200-L204 VanDerWaalsContact O-N 3.08Å
201R93.3Very high93.6Very high66 Ų6645.7 Ų45.725%0.24922%0.217CC..Hα-helixtrans-60.5-46.8173.5-72.6177-176.1-78.72.7111.9V185 N186 I189 D196 N197 L204 G205V185-R201 HydrophobicContact CG1-CB 4.11Å; V185-R201 HydrophobicContact CG1-CG 4.09Å; N186-R201 PolarHBondContact OD1-NH1 2.86Å; I189-R201 HydrophobicContact CD1-CB 4.45Å; I189-R201 HydrophobicContact CD1-CG 3.42Å; I189-R201 VanDerWaalsContact CD1-CG 3.42Å; D196-R201 IonicContact OD1-CZ 2.87Å; D196-R201 IonicContact OD1-NE 2.66Å; D196-R201 PolarHBondContact OD1-NE 3.11Å; D196-R201 IonicContact OD1-NH2 2.79Å; D196-R201 PolarHBondContact OD1-NH2 2.69Å; D196-R201 IonicContact OD2-CZ 3.31Å; D196-R201 IonicContact OD2-NH2 2.6Å; D196-R201 PolarHBondContact OD2-NH2 3.01Å; N197-R201 WeakPolarHBondContact O-CG 3.2Å; N197-R201 PolarHBondContact O-N 2.99Å; N197-R201 VanDerWaalsContact O-N 3.08Å; R201-L204 PolarHBondContact O-N 3.24Å; R201-G205 PolarHBondContact O-N 3.18Å
202K92.1Very high93.7Very high18 Ų1842.8 Ų42.88%0.07820%0.199CC..Hα-helixtrans-62.7-41.8178.1-177.6171169.5-174.70111.3D164 Y198 I199 S200 L204 G205 Y206D164-K202 WeakPolarHBondContact O-CE 3.29Å; D164-K202 PolarHBondContact O-NZ 3.42Å; D164-K202 IonicContact OD1-NZ 2.67Å; D164-K202 PolarHBondContact OD1-NZ 3.07Å; Y198-K202 HydrophobicContact CE1-CD 3.98Å; Y198-K202 VanDerWaalsContact O-CB 3.26Å; Y198-K202 WeakPolarHBondContact O-CB 3.45Å; Y198-K202 PolarHBondContact O-N 2.98Å; I199-K202 PolarHBondContact O-N 3.41Å; S200-K202 PolarHBondContact O-N 3.01Å; K202-L204 PolarHBondContact O-N 2.82Å; K202-G205 PolarHBondContact O-N 2.83Å; K202-Y206 HydrophobicContact CD-CE2 4.12Å; K202-Y206 HydrophobicContact CG-CD2 3.76Å; K202-Y206 HydrophobicContact CG-CE2 3.5Å; K202-Y206 VanDerWaalsContact O-CD2 3.23Å; K202-Y206 WeakPolarHBondContact O-CD2 3.21Å; K202-Y206 PolarHBondContact O-N 3.46Å
203R93.5Very high93.8Very high27 Ų2743.4 Ų43.410%0.10220%0.2CC..Hα-helixtrans-56.9-48.3175.1179.165.9167.1143.52.2111.6H153 Y156 I199 S200 N207 L264H153-R203 PolarHBondContact ND1-NH2 3.41Å; H153-R203 VanDerWaalsContact ND1-NH2 3.15Å; Y156-R203 VanDerWaalsContact CD2-NH1 3.26Å; Y156-R203 HydrophobicContact CE2-CB 4.35Å; Y156-R203 HydrophobicContact CE2-CG 4.39Å; I199-R203 WeakPolarHBondContact O-CB 3.34Å; I199-R203 PolarHBondContact O-N 2.73Å; S200-R203 WeakPolarHBondContact O-CB 3.47Å; S200-R203 PolarHBondContact O-N 2.95Å; R203-N207 VanDerWaalsContact O-CB 3.31Å; R203-N207 WeakPolarHBondContact O-CB 3.33Å; R203-N207 PolarHBondContact O-N 3.35Å; R203-L264 HydrophobicContact CG-CD1 4.04Å; R203-L264 VanDerWaalsContact CZ-CD1 3.42Å; R203-L264 VanDerWaalsContact NH2-CD2 3.3Å
204L95.3Very high94Very high11 Ų1135.3 Ų35.36%0.05817%0.165CC..Hα-helixtrans-63.6-41.9178-71.8170.1000112.3V185 F188 I189 S200 R201 K202 N207 M208 L262V185-L204 HydrophobicContact CG1-CB 4.08Å; V185-L204 HydrophobicContact CG1-CD1 3.99Å; V185-L204 HydrophobicContact CG2-CB 3.97Å; F188-L204 HydrophobicContact CD1-CD1 4.19Å; F188-L204 HydrophobicContact CD1-CD2 4.41Å; F188-L204 HydrophobicContact CE1-CD2 4.33Å; I189-L204 HydrophobicContact CD1-CD1 3.98Å; I189-L204 HydrophobicContact CG1-CD1 3.79Å; S200-L204 PolarHBondContact O-N 2.94Å; S200-L204 VanDerWaalsContact O-N 3.08Å; R201-L204 PolarHBondContact O-N 3.24Å; K202-L204 PolarHBondContact O-N 2.82Å; L204-N207 WeakPolarHBondContact O-CB 3.34Å; L204-N207 PolarHBondContact O-N 3.28Å; L204-M208 WeakPolarHBondContact O-CG 3.42Å; L204-M208 PolarHBondContact O-N 2.93Å; L204-L262 HydrophobicContact CD2-CD2 4.09Å
205G94.6Very high94.3Very high1 Ų134.7 Ų34.71%0.0116%0.162CC..Hα-helixtrans-59.3-52176.500000112.8Y170 R201 K202 N207 M208 Y209Y170-G205 PolarHBondContact OH-O 3.39Å; R201-G205 PolarHBondContact O-N 3.18Å; K202-G205 PolarHBondContact O-N 2.83Å; G205-N207 VanDerWaalsContact C-N 3.29Å; G205-N207 PolarHBondContact O-N 3.15Å; G205-M208 PolarHBondContact O-N 3.18Å; G205-Y209 PolarHBondContact O-N 3.11Å; G205-Y209 VanDerWaalsContact O-N 3.1Å
206Y94.8Very high94.7Very high0 Ų032.9 Ų32.90%015%0.152CC..Hα-helixtrans-57.3-44.5174-82.2-64.6000111.8Y156 F159 I160 S163 L166 L169 K202 M208 Y209 I210Y156-Y206 HydrophobicContact CD2-CD2 4.12Å; Y156-Y206 HydrophobicContact CD2-CG 4.08Å; Y156-Y206 HydrophobicContact CE2-CD2 4.11Å; F159-Y206 HydrophobicContact CB-CD1 3.81Å; F159-Y206 HydrophobicContact CB-CE1 3.48Å; F159-Y206 VanDerWaalsContact CB-CE1 3.48Å; F159-Y206 HydrophobicContact CG-CD1 4.5Å; F159-Y206 HydrophobicContact CG-CE1 4.34Å; I160-Y206 HydrophobicContact CG1-CD2 4.15Å; I160-Y206 HydrophobicContact CG1-CE2 3.78Å; S163-Y206 PolarHBondContact O-OH 2.86Å; L166-Y206 HydrophobicContact CD1-CD1 3.73Å; L166-Y206 HydrophobicContact CD1-CD2 3.82Å; L166-Y206 HydrophobicContact CD1-CE1 3.68Å; L166-Y206 HydrophobicContact CD1-CE2 3.83Å; L166-Y206 HydrophobicContact CD1-CG 3.75Å; L169-Y206 HydrophobicContact CD1-CD1 3.22Å; L169-Y206 HydrophobicContact CD1-CE1 3.16Å; L169-Y206 HydrophobicContact CD1-CG 4.45Å; L169-Y206 HydrophobicContact CG-CD1 4.28Å; L169-Y206 HydrophobicContact CG-CE1 3.73Å; K202-Y206 HydrophobicContact CD-CE2 4.12Å; K202-Y206 HydrophobicContact CG-CD2 3.76Å; K202-Y206 HydrophobicContact CG-CE2 3.5Å; K202-Y206 VanDerWaalsContact O-CD2 3.23Å; K202-Y206 WeakPolarHBondContact O-CD2 3.21Å; K202-Y206 PolarHBondContact O-N 3.46Å; Y206-M208 VanDerWaalsContact C-N 3.32Å; Y206-M208 PolarHBondContact O-N 3.07Å; Y206-Y209 PolarHBondContact O-N 3.47Å; Y206-I210 WeakPolarHBondContact O-CD1 3.42Å; Y206-I210 VanDerWaalsContact O-CG1 3.26Å; Y206-I210 WeakPolarHBondContact O-CG1 3.42Å; Y206-I210 PolarHBondContact O-N 3.15Å
207N95.6Very high95Very high1 Ų130.3 Ų30.31%0.00514%0.138CC..Hα-helixtrans-58.5-46-178.2-166.161.1000111.9R203 L204 G205 S211 C261 W263 L264R203-N207 VanDerWaalsContact O-CB 3.31Å; R203-N207 WeakPolarHBondContact O-CB 3.33Å; R203-N207 PolarHBondContact O-N 3.35Å; L204-N207 WeakPolarHBondContact O-CB 3.34Å; L204-N207 PolarHBondContact O-N 3.28Å; G205-N207 VanDerWaalsContact C-N 3.29Å; G205-N207 PolarHBondContact O-N 3.15Å; N207-S211 VanDerWaalsContact O-CB 3.23Å; N207-S211 WeakPolarHBondContact O-CB 3.4Å; N207-S211 PolarHBondContact O-N 3.39Å; N207-S211 PolarHBondContact O-OG 3.27Å; N207-C261 PolarHBondContact ND2-O 3.12Å; N207-W263 VanDerWaalsContact ND2-CD1 3.31Å; N207-W263 PolarHBondContact ND2-NE1 3.11Å; N207-W263 PolarHBondContact OD1-NE1 3.48Å; N207-L264 HydrophobicContact CB-CD1 3.91Å; N207-L264 WeakPolarHBondContact OD1-CD1 3.42Å
208M96.2Very high95.2Very high1 Ų130.1 Ų30.11%0.00515%0.147CC..Hα-helixtrans-64.9-45.1177.6-71.8-169.4-76.500112.1I181 L184 V185 L204 G205 Y206 I210 S211 L212 F241 C261 L262I181-M208 HydrophobicContact CG2-CE 3.52Å; L184-M208 HydrophobicContact CD1-SD 4.43Å; L184-M208 HydrophobicContact CD2-CE 4.17Å; L184-M208 HydrophobicContact CD2-SD 3.59Å; L184-M208 VanDerWaalsContact CD2-SD 3.59Å; L184-M208 HydrophobicContact CG-SD 4.48Å; V185-M208 HydrophobicContact CG2-CE 3.2Å; L204-M208 WeakPolarHBondContact O-CG 3.42Å; L204-M208 PolarHBondContact O-N 2.93Å; G205-M208 PolarHBondContact O-N 3.18Å; Y206-M208 VanDerWaalsContact C-N 3.32Å; Y206-M208 PolarHBondContact O-N 3.07Å; M208-I210 PolarHBondContact O-N 3.12Å; M208-S211 PolarHBondContact O-N 3.35Å; M208-L212 WeakPolarHBondContact O-CB 3.47Å; M208-L212 WeakPolarHBondContact O-CG 3.31Å; M208-L212 PolarHBondContact O-N 3.4Å; M208-F241 HydrophobicContact CB-CZ 4.47Å; M208-F241 HydrophobicContact SD-CE2 3.89Å; M208-F241 HydrophobicContact SD-CZ 3.82Å; M208-C261 HydrophobicContact CG-CB 4.12Å; M208-C261 WeakPolarHBondContact CG-O 3.37Å; M208-L262 HydrophobicContact CG-CD2 4.2Å; M208-L262 HydrophobicContact SD-CD2 4.26Å
209Y95.1Very high95.6Very high19 Ų1924.2 Ų24.28%0.07513%0.125CC..Hα-helixtrans-57.6-49.2179178.9-91.3000112F159 L169 Y170 G205 Y206 L212 W213 F249F159-Y209 HydrophobicContact CE2-CE1 4.42Å; F159-Y209 HydrophobicContact CZ-CE1 4.35Å; L169-Y209 HydrophobicContact CB-CE2 4.45Å; L169-Y209 HydrophobicContact CD1-CD1 3.68Å; L169-Y209 HydrophobicContact CD1-CE1 4.11Å; L169-Y209 HydrophobicContact CD1-CG 3.93Å; L169-Y209 HydrophobicContact CD2-CD1 4.47Å; L169-Y209 HydrophobicContact CD2-CE1 4.07Å; Y170-Y209 HydrophobicContact CD1-CD2 4.29Å; Y170-Y209 AromaticContact CE1-CD2 3.94Å; Y170-Y209 HydrophobicContact CE1-CD2 3.94Å; Y170-Y209 HydrophobicContact CE1-CG 4.43Å; G205-Y209 PolarHBondContact O-N 3.11Å; G205-Y209 VanDerWaalsContact O-N 3.1Å; Y206-Y209 PolarHBondContact O-N 3.47Å; Y209-L212 PolarHBondContact O-N 2.95Å; Y209-W213 AromaticContact CE1-CD1 3.58Å; Y209-W213 AromaticContact CE1-NE1 3.66Å; Y209-W213 AromaticContact CE2-NE1 3.82Å; Y209-W213 AromaticContact CZ-CD1 3.69Å; Y209-W213 AromaticContact CZ-NE1 3.27Å; Y209-W213 VanDerWaalsContact CZ-NE1 3.27Å; Y209-W213 PolarHBondContact O-N 2.97Å; Y209-W213 PolarHBondContact OH-NE1 3.32Å; Y209-W213 VanDerWaalsContact OH-NE1 3.14Å; Y209-F249 HydrophobicContact CD2-CE1 4.42Å; Y209-F249 AromaticContact CD2-CZ 3.98Å; Y209-F249 HydrophobicContact CD2-CZ 3.98Å; Y209-F249 HydrophobicContact CE2-CE1 4.34Å; Y209-F249 HydrophobicContact CE2-CZ 4.12Å
210I97Very high96Very high0 Ų023.8 Ų23.80%012%0.117CC..Hα-helixtrans-63.6-47179.2-63.7160.6000109.8L98 R152 F159 Y206 M208 L212 W213 R214L98-I210 HydrophobicContact CD1-CG2 4.27Å; R152-I210 HydrophobicContact CB-CG2 4.15Å; R152-I210 HydrophobicContact CG-CG2 4.07Å; F159-I210 HydrophobicContact CD2-CD1 4.12Å; F159-I210 HydrophobicContact CD2-CG1 4.08Å; F159-I210 HydrophobicContact CE2-CG1 4.05Å; Y206-I210 WeakPolarHBondContact O-CD1 3.42Å; Y206-I210 VanDerWaalsContact O-CG1 3.26Å; Y206-I210 WeakPolarHBondContact O-CG1 3.42Å; Y206-I210 PolarHBondContact O-N 3.15Å; M208-I210 PolarHBondContact O-N 3.12Å; I210-L212 VanDerWaalsContact C-N 3.31Å; I210-L212 PolarHBondContact O-N 3Å; I210-W213 PolarHBondContact O-N 3.26Å; I210-R214 HydrophobicContact CG2-CG 4.41Å; I210-R214 WeakPolarHBondContact O-CG 3.23Å; I210-R214 PolarHBondContact O-N 2.99Å
211S98.2Very high96.3Very high0 Ų022.7 Ų22.70%011%0.108CC..Hα-helixtrans-62.3-37.2-179-55.70000112.1R152 N207 M208 W213 R214 I215R152-S211 PolarHBondContact NH1-OG 3.42Å; R152-S211 VanDerWaalsContact NH1-OG 3.14Å; N207-S211 VanDerWaalsContact O-CB 3.23Å; N207-S211 WeakPolarHBondContact O-CB 3.4Å; N207-S211 PolarHBondContact O-N 3.39Å; N207-S211 PolarHBondContact O-OG 3.27Å; M208-S211 PolarHBondContact O-N 3.35Å; S211-W213 VanDerWaalsContact C-N 3.34Å; S211-W213 PolarHBondContact O-N 3.05Å; S211-R214 PolarHBondContact O-N 2.98Å; S211-I215 VanDerWaalsContact O-CB 3.3Å; S211-I215 WeakPolarHBondContact O-CB 3.48Å; S211-I215 WeakPolarHBondContact O-CD1 3.47Å; S211-I215 WeakPolarHBondContact O-CG1 3.48Å; S211-I215 PolarHBondContact O-N 3.03Å
212L97.9Very high96.4Very high0 Ų022.3 Ų22.30%011%0.114CC..Hα-helixtrans-62.7-40176.8-74.5167.5000112.2M208 Y209 I210 K216 F241 M244 A245 F249 L253M208-L212 WeakPolarHBondContact O-CB 3.47Å; M208-L212 WeakPolarHBondContact O-CG 3.31Å; M208-L212 PolarHBondContact O-N 3.4Å; Y209-L212 PolarHBondContact O-N 2.95Å; I210-L212 VanDerWaalsContact C-N 3.31Å; I210-L212 PolarHBondContact O-N 3Å; L212-K216 VanDerWaalsContact O-CB 3.25Å; L212-K216 WeakPolarHBondContact O-CB 3.49Å; L212-K216 PolarHBondContact O-N 3.1Å; L212-F241 HydrophobicContact CD1-CE2 4.23Å; L212-F241 HydrophobicContact CD1-CZ 3.98Å; L212-F241 HydrophobicContact CD2-CZ 4.35Å; L212-F241 HydrophobicContact CG-CZ 4.47Å; L212-M244 HydrophobicContact CD1-CE 4.11Å; L212-A245 HydrophobicContact CD2-CB 3.92Å; L212-F249 HydrophobicContact CB-CD1 3.76Å; L212-F249 HydrophobicContact CB-CD2 4.15Å; L212-F249 HydrophobicContact CB-CE1 3.83Å; L212-F249 HydrophobicContact CB-CE2 4.24Å; L212-F249 HydrophobicContact CB-CG 3.92Å; L212-F249 HydrophobicContact CB-CZ 4.08Å; L212-F249 HydrophobicContact CD1-CD2 3.91Å; L212-F249 HydrophobicContact CD1-CE2 3.59Å; L212-F249 HydrophobicContact CD1-CZ 3.94Å; L212-F249 HydrophobicContact CG-CD2 4.47Å; L212-F249 HydrophobicContact CG-CE2 4.49Å; L212-L253 HydrophobicContact CD2-CD1 4.04Å; L212-L253 HydrophobicContact CD2-CD2 4.1Å
213W97.3Very high96.5Very high30 Ų3025.7 Ų25.711%0.11414%0.136CC..Hα-helixtrans-65.9-44.3173-83.1114.5000112.4L98 Y99 Y209 I210 S211 K216 N217 F249L98-W213 HydrophobicContact CD1-CB 3.99Å; L98-W213 HydrophobicContact CG-CB 4.04Å; L98-W213 HydrophobicContact CG-CG 4.41Å; Y99-W213 AromaticContact CD1-CD2 3.55Å; Y99-W213 HydrophobicContact CD1-CD2 3.55Å; Y99-W213 AromaticContact CD1-CE2 3.38Å; Y99-W213 AromaticContact CD1-CE3 3.79Å; Y99-W213 HydrophobicContact CD1-CE3 3.79Å; Y99-W213 HydrophobicContact CD1-CG 4.08Å; Y99-W213 AromaticContact CD1-CH2 3.78Å; Y99-W213 HydrophobicContact CD1-CH2 3.78Å; Y99-W213 AromaticContact CD1-CZ2 3.57Å; Y99-W213 HydrophobicContact CD1-CZ2 3.57Å; Y99-W213 AromaticContact CD1-CZ3 3.85Å; Y99-W213 HydrophobicContact CD1-CZ3 3.85Å; Y99-W213 AromaticContact CD1-NE1 3.76Å; Y99-W213 HydrophobicContact CE1-CD2 4.14Å; Y99-W213 AromaticContact CE1-CE2 3.64Å; Y99-W213 HydrophobicContact CE1-CG 4.39Å; Y99-W213 AromaticContact CE1-CZ2 3.93Å; Y99-W213 HydrophobicContact CE1-CZ2 3.93Å; Y99-W213 AromaticContact CE1-NE1 3.54Å; Y99-W213 HydrophobicContact CG-CE3 4.48Å; Y99-W213 HydrophobicContact CG-CH2 4.21Å; Y99-W213 HydrophobicContact CG-CZ2 4.38Å; Y99-W213 HydrophobicContact CG-CZ3 4.22Å; Y209-W213 AromaticContact CE1-CD1 3.58Å; Y209-W213 AromaticContact CE1-NE1 3.66Å; Y209-W213 AromaticContact CE2-NE1 3.82Å; Y209-W213 AromaticContact CZ-CD1 3.69Å; Y209-W213 AromaticContact CZ-NE1 3.27Å; Y209-W213 VanDerWaalsContact CZ-NE1 3.27Å; Y209-W213 PolarHBondContact O-N 2.97Å; Y209-W213 PolarHBondContact OH-NE1 3.32Å; Y209-W213 VanDerWaalsContact OH-NE1 3.14Å; I210-W213 PolarHBondContact O-N 3.26Å; S211-W213 VanDerWaalsContact C-N 3.34Å; S211-W213 PolarHBondContact O-N 3.05Å; W213-K216 HydrophobicContact CE3-CD 3.79Å; W213-K216 HydrophobicContact CZ3-CD 3.86Å; W213-K216 WeakPolarHBondContact O-CB 3.48Å; W213-K216 PolarHBondContact O-N 3.35Å; W213-N217 PolarHBondContact O-N 3.01Å; W213-N217 PolarHBondContact O-ND2 3.28Å; W213-F249 AromaticContact CD1-CE1 3.64Å; W213-F249 HydrophobicContact CD2-CD1 4.19Å; W213-F249 HydrophobicContact CD2-CE1 4.25Å; W213-F249 AromaticContact CE2-CE1 3.88Å; W213-F249 HydrophobicContact CG-CD1 4.28Å; W213-F249 HydrophobicContact CG-CE1 4.1Å; W213-F249 AromaticContact NE1-CE1 3.49Å
214R98.3Very high96.5Very high0 Ų032.3 Ų32.30%017%0.173CC..Hα-helixtrans-60.4-48.9175.7-64.1-55.2-67.3163.9-8111.7L98 E100 L144 E148 R152 I210 S211 K216 N217 G218 H219L98-R214 HydrophobicContact CD1-CG 4.3Å; E100-R214 IonicContact OE1-CZ 3.57Å; E100-R214 IonicContact OE1-NH1 3.13Å; E100-R214 PolarHBondContact OE1-NH1 3.16Å; L144-R214 PolarHBondContact O-NH2 3.41Å; E148-R214 IonicContact OE1-CZ 3.7Å; E148-R214 VanDerWaalsContact OE1-CZ 3.31Å; E148-R214 IonicContact OE1-NE 3.42Å; E148-R214 PolarHBondContact OE1-NE 3.44Å; E148-R214 VanDerWaalsContact OE1-NE 3.1Å; E148-R214 IonicContact OE1-NH2 3.95Å; E148-R214 PolarHBondContact OE1-NH2 2.86Å; E148-R214 IonicContact OE2-NE 3.66Å; E148-R214 PolarHBondContact OE2-NE 3.02Å; R152-R214 HydrophobicContact CG-CG 4.07Å; I210-R214 HydrophobicContact CG2-CG 4.41Å; I210-R214 WeakPolarHBondContact O-CG 3.23Å; I210-R214 PolarHBondContact O-N 2.99Å; S211-R214 PolarHBondContact O-N 2.98Å; R214-K216 PolarHBondContact O-N 3.27Å; R214-N217 CarbonylContact O-C 3.59Å; R214-N217 PolarHBondContact O-N 3.28Å; R214-N217 VanDerWaalsContact O-N 3.14Å; R214-G218 PolarHBondContact O-N 2.99Å; R214-H219 CarbonylContact C-O 3.53Å; R214-H219 VanDerWaalsContact C-O 3.24Å; R214-H219 HydrophobicContact CB-CB 4.07Å; R214-H219 VanDerWaalsContact CZ-CD2 3.45Å; R214-H219 VanDerWaalsContact CZ-CG 3.48Å; R214-H219 PolarHBondContact NH1-CD2 3.24Å; R214-H219 VanDerWaalsContact NH2-CG 3.27Å; R214-H219 PolarHBondContact NH2-ND1 3.4Å; R214-H219 WeakPolarHBondContact O-CB 3.45Å; R214-H219 PolarHBondContact O-N 3.26Å
215I98.3Very high96.4Very high3 Ų335.8 Ų35.82%0.01519%0.188CC..Hα-helixtrans-62.1-41.3178.5-70.8165.8000111.8S211 N217 G218 H219 Y220 V251 K257 D260S211-I215 VanDerWaalsContact O-CB 3.3Å; S211-I215 WeakPolarHBondContact O-CB 3.48Å; S211-I215 WeakPolarHBondContact O-CD1 3.47Å; S211-I215 WeakPolarHBondContact O-CG1 3.48Å; S211-I215 PolarHBondContact O-N 3.03Å; I215-N217 PolarHBondContact O-N 3.26Å; I215-G218 PolarHBondContact O-N 2.83Å; I215-G218 VanDerWaalsContact O-N 3.08Å; I215-H219 PolarHBondContact N-O 3.19Å; I215-Y220 HydrophobicContact CB-CE1 4.49Å; I215-Y220 HydrophobicContact CG1-CD1 4.22Å; I215-Y220 HydrophobicContact CG1-CE1 4.49Å; I215-Y220 HydrophobicContact CG2-CD1 4.38Å; I215-Y220 HydrophobicContact CG2-CE1 3.83Å; I215-V251 HydrophobicContact CG2-CG1 3.68Å; I215-K257 HydrophobicContact CG2-CD 4.16Å; I215-D260 HydrophobicContact CD1-CB 4.07Å
216K97.5Very high96.4Very high71 Ų7136.1 Ų36.131%0.30919%0.19SC..Hα-helixtrans-53.4-40.2175.9173.8-172.5172.3-174.30111.4L212 W213 R214 G218 F249 V251L212-K216 VanDerWaalsContact O-CB 3.25Å; L212-K216 WeakPolarHBondContact O-CB 3.49Å; L212-K216 PolarHBondContact O-N 3.1Å; W213-K216 HydrophobicContact CE3-CD 3.79Å; W213-K216 HydrophobicContact CZ3-CD 3.86Å; W213-K216 WeakPolarHBondContact O-CB 3.48Å; W213-K216 PolarHBondContact O-N 3.35Å; R214-K216 PolarHBondContact O-N 3.27Å; K216-G218 VanDerWaalsContact C-N 3.34Å; K216-F249 VanDerWaalsContact CD-O 3.31Å; K216-F249 WeakPolarHBondContact CD-O 3.21Å; K216-F249 WeakPolarHBondContact CG-O 3.39Å; K216-V251 VanDerWaalsContact CA-CG2 3.49Å; K216-V251 HydrophobicContact CB-CG2 3.58Å; K216-V251 HydrophobicContact CG-CG2 4.21Å
217N97.1Very high96.2Very high46 Ų4640.9 Ų40.925%0.24622%0.215CC..THydrogen-bonded Turntrans-93.711-176.7-62.3-32.2000113.2Y99 E100 W213 R214 I215Y99-N217 PolarHBondContact O-ND2 3.26Å; E100-N217 HydrophobicContact CB-CB 4.4Å; E100-N217 WeakPolarHBondContact CB-ND2 3.29Å; E100-N217 HydrophobicContact CG-CB 4.4Å; W213-N217 PolarHBondContact O-N 3.01Å; W213-N217 PolarHBondContact O-ND2 3.28Å; R214-N217 CarbonylContact O-C 3.59Å; R214-N217 PolarHBondContact O-N 3.28Å; R214-N217 VanDerWaalsContact O-N 3.14Å; I215-N217 PolarHBondContact O-N 3.26Å
218G97.1Very high96Very high41 Ų4141.1 Ų41.142%0.42322%0.217SC..THydrogen-bonded Turntrans85.99.6174.300000115.3R214 I215 K216 Y220R214-G218 PolarHBondContact O-N 2.99Å; I215-G218 PolarHBondContact O-N 2.83Å; I215-G218 VanDerWaalsContact O-N 3.08Å; K216-G218 VanDerWaalsContact C-N 3.34Å; G218-Y220 WeakPolarHBondContact O-CD2 3.45Å; G218-Y220 WeakPolarHBondContact O-CE2 3.3Å
219H98Very high95.7Very high27 Ų2746.9 Ų46.913%0.12525%0.248CC..  trans-94.1104176.3-53.5-75.7000110.2E100 R152 R214 I215E100-H219 VanDerWaalsContact CD-NE2 3.31Å; E100-H219 IonicContact OE1-CD2 2.99Å; E100-H219 PolarHBondContact OE1-CD2 3.05Å; E100-H219 IonicContact OE1-NE2 2.73Å; E100-H219 PolarHBondContact OE1-NE2 2.93Å; E100-H219 IonicContact OE2-CD2 2.79Å; E100-H219 IonicContact OE2-NE2 2.73Å; E100-H219 PolarHBondContact OE2-NE2 3Å; R152-H219 PolarHBondContact NH2-O 3.47Å; R214-H219 CarbonylContact C-O 3.53Å; R214-H219 VanDerWaalsContact C-O 3.24Å; R214-H219 HydrophobicContact CB-CB 4.07Å; R214-H219 VanDerWaalsContact CZ-CD2 3.45Å; R214-H219 VanDerWaalsContact CZ-CG 3.48Å; R214-H219 PolarHBondContact NH1-CD2 3.24Å; R214-H219 VanDerWaalsContact NH2-CG 3.27Å; R214-H219 PolarHBondContact NH2-ND1 3.4Å; R214-H219 WeakPolarHBondContact O-CB 3.45Å; R214-H219 PolarHBondContact O-N 3.26Å; I215-H219 PolarHBondContact N-O 3.19Å
220Y97.8Very high95.7Very high108 Ų10847 Ų4742%0.42425%0.25SC..  trans-104.1145.4-176.1-60.1-80000111.1I215 G218 K257 D260I215-Y220 HydrophobicContact CB-CE1 4.49Å; I215-Y220 HydrophobicContact CG1-CD1 4.22Å; I215-Y220 HydrophobicContact CG1-CE1 4.49Å; I215-Y220 HydrophobicContact CG2-CD1 4.38Å; I215-Y220 HydrophobicContact CG2-CE1 3.83Å; G218-Y220 WeakPolarHBondContact O-CD2 3.45Å; G218-Y220 WeakPolarHBondContact O-CE2 3.3Å; Y220-K257 HydrophobicContact CE1-CD 4.23Å; Y220-K257 HydrophobicContact CE1-CG 4.5Å; Y220-K257 PolarHBondContact OH-NZ 3.19Å; Y220-K257 VanDerWaalsContact OH-NZ 3.16Å; Y220-D260 WeakPolarHBondContact CA-OD2 3.26Å
221Y97.6Very high95.6Very high7 Ų752.7 Ų52.73%0.02728%0.278CS..  trans-72.2139.3167.1-161.5-86.4000109.3E148 T223 E225 L226 D260 W263 A267E148-Y221 HydrophobicContact CB-CD2 4.24Å; Y221-T223 PolarHBondContact O-N 3.32Å; Y221-E225 HydrophobicContact CE1-CB 3.79Å; Y221-E225 VanDerWaalsContact CE1-OE2 3.26Å; Y221-E225 WeakPolarHBondContact CE1-OE2 3.3Å; Y221-E225 VanDerWaalsContact CZ-OE2 3.31Å; Y221-E225 PolarHBondContact OH-OE2 2.62Å; Y221-L226 HydrophobicContact CD1-CD1 4.42Å; Y221-L226 HydrophobicContact CD1-CD2 3.53Å; Y221-L226 HydrophobicContact CD1-CG 3.9Å; Y221-L226 HydrophobicContact CE1-CD2 4.02Å; Y221-L226 HydrophobicContact CG-CD2 4.33Å; Y221-D260 WeakPolarHBondContact CB-OD1 3.23Å; Y221-D260 PolarHBondContact N-OD2 3.13Å; Y221-W263 HydrophobicContact CD1-CB 4.03Å; Y221-W263 HydrophobicContact CD2-CB 3.82Å; Y221-W263 AromaticContact CD2-CD2 3.76Å; Y221-W263 HydrophobicContact CD2-CD2 3.76Å; Y221-W263 AromaticContact CD2-CE3 3.84Å; Y221-W263 HydrophobicContact CD2-CE3 3.84Å; Y221-W263 AromaticContact CD2-CG 3.77Å; Y221-W263 HydrophobicContact CD2-CG 3.77Å; Y221-W263 HydrophobicContact CE1-CB 4.43Å; Y221-W263 HydrophobicContact CE2-CB 4.23Å; Y221-W263 AromaticContact CE2-CD2 3.65Å; Y221-W263 HydrophobicContact CE2-CD2 3.65Å; Y221-W263 AromaticContact CE2-CE3 3.21Å; Y221-W263 HydrophobicContact CE2-CE3 3.21Å; Y221-W263 HydrophobicContact CE2-CG 4.11Å; Y221-W263 AromaticContact CE2-CZ3 3.77Å; Y221-W263 HydrophobicContact CE2-CZ3 3.77Å; Y221-W263 HydrophobicContact CG-CB 3.71Å; Y221-W263 HydrophobicContact CG-CG 4.17Å; Y221-W263 AromaticContact CZ-CE3 3.66Å; Y221-A267 HydrophobicContact CE1-CB 3.81Å
222P95.5Very high95.6Very high57 Ų5754.6 Ų54.637%0.3729%0.288SS..  trans-54114180-27.935.8000112.4L224 E225P222-L224 PolarHBondContact O-N 3.15Å; P222-E225 HydrophobicContact CB-CG 4.16Å; P222-E225 WeakPolarHBondContact O-CB 3.06Å; P222-E225 PolarHBondContact O-N 3.32Å
223T94.6Very high95.5Very high90 Ų9054.9 Ų54.955%0.55229%0.29SS*.G310 helixtrans-63.7-29-173.9-50.10000113Y221 E225 L226Y221-T223 PolarHBondContact O-N 3.32Å; T223-E225 PolarHBondContact O-N 2.75Å; T223-L226 PolarHBondContact O-N 2.86Å; T223-L226 VanDerWaalsContact O-N 3.08Å
224L92.9Very high95.5Very high166 Ų16659.5 Ų59.587%0.86931%0.313SS*.G310 helixtrans-63.6-23.3177-67.3161.1000112.9P222P222-L224 PolarHBondContact O-N 3.15Å
225E92.6Very high95.5Very high83 Ų8368.9 Ų68.939%0.38835%0.348SS..G310 helixtrans-85.9-18.2176.2-67.5176.8-143.400112.3Y221 P222 T223 D227 A267Y221-E225 HydrophobicContact CE1-CB 3.79Å; Y221-E225 VanDerWaalsContact CE1-OE2 3.26Å; Y221-E225 WeakPolarHBondContact CE1-OE2 3.3Å; Y221-E225 VanDerWaalsContact CZ-OE2 3.31Å; Y221-E225 PolarHBondContact OH-OE2 2.62Å; P222-E225 HydrophobicContact CB-CG 4.16Å; P222-E225 WeakPolarHBondContact O-CB 3.06Å; P222-E225 PolarHBondContact O-N 3.32Å; T223-E225 PolarHBondContact O-N 2.75Å; E225-D227 VanDerWaalsContact C-N 3.27Å; E225-D227 PolarHBondContact O-N 3.19Å; E225-A267 HydrophobicContact CB-CB 4.39Å; E225-A267 WeakPolarHBondContact O-CA 3.27Å
226L94.6Very high95.4Very high9 Ų976.3 Ų76.35%0.04738%0.383CS..  trans-85.459.8-174.4-59.7178000112.7Y221 T223 K259 D260 W263 Y266 A267Y221-L226 HydrophobicContact CD1-CD1 4.42Å; Y221-L226 HydrophobicContact CD1-CD2 3.53Å; Y221-L226 HydrophobicContact CD1-CG 3.9Å; Y221-L226 HydrophobicContact CE1-CD2 4.02Å; Y221-L226 HydrophobicContact CG-CD2 4.33Å; T223-L226 PolarHBondContact O-N 2.86Å; T223-L226 VanDerWaalsContact O-N 3.08Å; L226-K259 HydrophobicContact CD1-CB 4.32Å; L226-D260 HydrophobicContact CD1-CB 4Å; L226-W263 HydrophobicContact CD2-CB 3.76Å; L226-Y266 CarbonylContact C-O 3.51Å; L226-A267 HydrophobicContact CD2-CB 4.29Å
227D90.3Very high95.4Very high99 Ų9974.4 Ų74.453%0.52938%0.375SS..  trans-123.314.3-163.8-178.759.7000113.6E225 Y266 R283E225-D227 VanDerWaalsContact C-N 3.27Å; E225-D227 PolarHBondContact O-N 3.19Å; D227-Y266 PolarHBondContact N-O 3.44Å; D227-R283 PolarHBondContact O-NH1 2.86Å; D227-R283 VanDerWaalsContact O-NH1 3.07Å; D227-R283 IonicContact OD2-CZ 2.69Å; D227-R283 IonicContact OD2-NH1 3.03Å; D227-R283 PolarHBondContact OD2-NH1 3.25Å; D227-R283 IonicContact OD2-NH2 2.98Å
228S91.1Very high95.5Very high7 Ų772.9 Ų72.95%0.04937%0.367CS..  trans-63142.8168.4-161.80000111.7L230 Y266 D268S228-L230 PolarHBondContact O-N 2.76Å; S228-Y266 VanDerWaalsContact CB-O 3.29Å; S228-Y266 WeakPolarHBondContact CB-O 3.38Å; S228-Y266 PolarHBondContact N-O 3.23Å; S228-D268 WeakPolarHBondContact CB-OD1 3.49Å; S228-D268 PolarHBondContact OG-OD1 3.31Å
229D91.4Very high95.5Very high122 Ų12273.1 Ų73.165%0.65236%0.359SS*.  trans-70.714.3-179.1-64.6-43.3000114.1S279D229-S279 WeakPolarHBondContact OD2-CB 3.42Å; D229-S279 PolarHBondContact OD2-OG 3.2Å
230L94.6Very high95.5Very high20 Ų2072.9 Ų72.911%0.10536%0.361CS..PPolyproline II helixtrans-65.9142.6-177.5-61.8170.6000110.9F188 N192 L194 S228 Y266 Q276F188-L230 HydrophobicContact CE2-CB 4.34Å; F188-L230 HydrophobicContact CZ-CB 4.48Å; F188-L230 HydrophobicContact CZ-CD1 3.98Å; N192-L230 HydrophobicContact CB-CD2 3.82Å; N192-L230 WeakPolarHBondContact OD1-CA 3.19Å; L194-L230 HydrophobicContact CD2-CD2 4.34Å; S228-L230 PolarHBondContact O-N 2.76Å; L230-Y266 HydrophobicContact CB-CD1 4.29Å; L230-Y266 HydrophobicContact CB-CE1 3.74Å; L230-Y266 WeakPolarHBondContact O-CE1 3.42Å; L230-Y266 PolarHBondContact O-OH 2.87Å; L230-Q276 HydrophobicContact CD2-CG 4.41Å
231M95.5Very high95.5Very high120 Ų12067.7 Ų67.759%0.59134%0.341SS*.PPolyproline II helixtrans-87136179.2-66.2-68.8-70.700109.8V191 N192V191-M231 HydrophobicContact CG1-CB 3.61Å; V191-M231 HydrophobicContact CG1-CG 4.44Å; N192-M231 PolarHBondContact ND2-O 2.95Å; N192-M231 PolarHBondContact OD1-N 2.64Å
232L97Very high95.5Very high41 Ų4170.1 Ų70.122%0.21535%0.352CS..PPolyproline II helixtrans-70.1151.1168.5-76.1172.3000110.7L238 I258 K259 Y266L232-L238 HydrophobicContact CB-CD1 4.17Å; L232-L238 HydrophobicContact CD1-CD1 4.47Å; L232-I258 HydrophobicContact CD2-CB 4.41Å; L232-I258 HydrophobicContact CD2-CG2 3.67Å; L232-K259 HydrophobicContact CD2-CG 4.39Å; L232-Y266 HydrophobicContact CD2-CE2 4.31Å; L232-Y266 WeakPolarHBondContact CD2-OH 3.43Å; L232-Y266 WeakPolarHBondContact CG-OH 3.33Å; L232-Y266 PolarHBondContact N-OH 3.41Å
233P97.2Very high95.6Very high6 Ų674.6 Ų74.64%0.03936%0.361CS..PPolyproline II helixtrans-53.2165167.2-30.640.2000113.1L184 Q187 F188 I237 L238L184-P233 HydrophobicContact CD2-CG 4.38Å; L184-P233 HydrophobicContact CG-CG 4.13Å; Q187-P233 HydrophobicContact CB-CB 4.25Å; Q187-P233 HydrophobicContact CG-CB 4.18Å; F188-P233 HydrophobicContact CB-CG 3.89Å; F188-P233 HydrophobicContact CD2-CG 4.38Å; P233-I237 HydrophobicContact CB-CG2 4.11Å; P233-L238 HydrophobicContact CB-CD2 4.07Å; P233-L238 HydrophobicContact CB-CG 4.41Å; P233-L238 HydrophobicContact CG-CD2 4.37Å; P233-L238 VanDerWaalsContact O-CD1 3.24Å; P233-L238 WeakPolarHBondContact O-CD1 3.22Å; P233-L238 WeakPolarHBondContact O-CG 3.33Å
234E97.1Very high95.7Very high126 Ų12670.3 Ų70.359%0.58934%0.335SS*.PPolyproline II helixtrans-63.8153.1-179.4-71.1173.2-175.600112.2Q187 Q236 I237 L238Q187-E234 VanDerWaalsContact NE2-CG 3.29Å; Q187-E234 PolarHBondContact NE2-OE2 3.18Å; E234-Q236 VanDerWaalsContact C-N 3.26Å; E234-Q236 PolarHBondContact O-N 3.08Å; E234-Q236 VanDerWaalsContact O-N 3.11Å; E234-I237 PolarHBondContact O-N 2.88Å; E234-L238 WeakPolarHBondContact O-CG 3.32Å; E234-L238 PolarHBondContact O-N 3.42Å
235R97.1Very high95.9Very high198 Ų19862.4 Ų62.475%0.74729%0.294SS*.Hα-helixtrans-52.1-40.9-174-177.3175.7177.1173.51.4113.7I237 L238 D239R235-I237 PolarHBondContact O-N 3.13Å; R235-L238 PolarHBondContact O-N 3.35Å; R235-D239 WeakPolarHBondContact CG-OD2 3.29Å; R235-D239 IonicContact NE-OD2 3.02Å; R235-D239 WeakPolarHBondContact O-CB 3.49Å; R235-D239 PolarHBondContact O-N 3.07Å
236Q97.1Very high96.1Very high159 Ų15963.3 Ų63.374%0.74330%0.3SS*.Hα-helixtrans-63.1-41.6-178.6-177.5175.7-3.500112.4E234 D239 A240E234-Q236 VanDerWaalsContact C-N 3.26Å; E234-Q236 PolarHBondContact O-N 3.08Å; E234-Q236 VanDerWaalsContact O-N 3.11Å; Q236-D239 PolarHBondContact O-N 3.41Å; Q236-A240 PolarHBondContact O-N 3.46Å
237I97.6Very high96.2Very high30 Ų3067.2 Ų67.215%0.15432%0.319CS..Hα-helixtrans-70.9-42.8178-74.6170.7000110.1E183 L184 Q187 P233 E234 R235 D239 A240 F241E183-I237 HydrophobicContact CB-CD1 4.46Å; E183-I237 HydrophobicContact CB-CG1 4.49Å; E183-I237 HydrophobicContact CB-CG2 4.47Å; L184-I237 HydrophobicContact CB-CG2 3.91Å; L184-I237 HydrophobicContact CG-CG2 4.41Å; Q187-I237 HydrophobicContact CB-CD1 3.94Å; Q187-I237 HydrophobicContact CG-CD1 4.21Å; P233-I237 HydrophobicContact CB-CG2 4.11Å; E234-I237 PolarHBondContact O-N 2.88Å; R235-I237 PolarHBondContact O-N 3.13Å; I237-D239 VanDerWaalsContact C-N 3.31Å; I237-D239 PolarHBondContact O-N 2.99Å; I237-A240 PolarHBondContact O-N 3.26Å; I237-F241 PolarHBondContact O-N 2.84Å
238L98Very high96.4Very high15 Ų1564.7 Ų64.78%0.07931%0.306CS..Hα-helixtrans-58.9-42.4173.3-65-177.3000112.2L184 L232 P233 E234 R235 F241 K242 I258L184-L238 HydrophobicContact CD1-CD2 4.37Å; L232-L238 HydrophobicContact CB-CD1 4.17Å; L232-L238 HydrophobicContact CD1-CD1 4.47Å; P233-L238 HydrophobicContact CB-CD2 4.07Å; P233-L238 HydrophobicContact CB-CG 4.41Å; P233-L238 HydrophobicContact CG-CD2 4.37Å; P233-L238 VanDerWaalsContact O-CD1 3.24Å; P233-L238 WeakPolarHBondContact O-CD1 3.22Å; P233-L238 WeakPolarHBondContact O-CG 3.33Å; E234-L238 WeakPolarHBondContact O-CG 3.32Å; E234-L238 PolarHBondContact O-N 3.42Å; R235-L238 PolarHBondContact O-N 3.35Å; L238-F241 PolarHBondContact O-N 2.88Å; L238-K242 WeakPolarHBondContact O-CB 2.89Å; L238-K242 WeakPolarHBondContact O-CG 3.18Å; L238-K242 PolarHBondContact O-N 3.44Å; L238-I258 HydrophobicContact CD2-CD1 4.17Å; L238-I258 HydrophobicContact CD2-CG2 4.17Å
239D97.6Very high96.6Very high46 Ų4664.4 Ų64.425%0.24630%0.304CS..Hα-helixtrans-69.6-34.2-179.7-71.1-16.2000111.7R235 Q236 I237 K242 R243R235-D239 WeakPolarHBondContact CG-OD2 3.29Å; R235-D239 IonicContact NE-OD2 3.02Å; R235-D239 WeakPolarHBondContact O-CB 3.49Å; R235-D239 PolarHBondContact O-N 3.07Å; Q236-D239 PolarHBondContact O-N 3.41Å; I237-D239 VanDerWaalsContact C-N 3.31Å; I237-D239 PolarHBondContact O-N 2.99Å; D239-K242 IonicContact OD1-NZ 3.31Å; D239-K242 PolarHBondContact OD1-NZ 2.84Å; D239-R243 WeakPolarHBondContact O-CG 3.34Å; D239-R243 PolarHBondContact O-N 2.87Å; D239-R243 PolarHBondContact O-NH1 3.04Å
240A97.2Very high96.8Very high21 Ų2168.8 Ų68.817%0.17431%0.312CS..Hα-helixtrans-63.8-45.9170.700000112A180 Q236 I237 R243 M244A180-A240 HydrophobicContact CB-CB 4.29Å; Q236-A240 PolarHBondContact O-N 3.46Å; I237-A240 PolarHBondContact O-N 3.26Å; A240-R243 PolarHBondContact O-N 2.93Å; A240-M244 PolarHBondContact O-N 2.81Å
241F97.9Very high96.9Very high0 Ų068.2 Ų68.20%031%0.309CS..Hα-helixtrans-63.6-42.8176.6-177-110.8000112.5I181 L184 M208 L212 I237 L238 R243 M244 A245 L253 I258I181-F241 HydrophobicContact CG1-CD2 4.41Å; I181-F241 HydrophobicContact CG1-CE2 4.19Å; L184-F241 HydrophobicContact CD1-CB 3.57Å; L184-F241 HydrophobicContact CD1-CD1 3.39Å; L184-F241 HydrophobicContact CD1-CD2 3.77Å; L184-F241 HydrophobicContact CD1-CE1 3.93Å; L184-F241 HydrophobicContact CD1-CE2 4.27Å; L184-F241 HydrophobicContact CD1-CG 3.29Å; L184-F241 HydrophobicContact CD1-CZ 4.34Å; M208-F241 HydrophobicContact CB-CZ 4.47Å; M208-F241 HydrophobicContact SD-CE2 3.89Å; M208-F241 HydrophobicContact SD-CZ 3.82Å; L212-F241 HydrophobicContact CD1-CE2 4.23Å; L212-F241 HydrophobicContact CD1-CZ 3.98Å; L212-F241 HydrophobicContact CD2-CZ 4.35Å; L212-F241 HydrophobicContact CG-CZ 4.47Å; I237-F241 PolarHBondContact O-N 2.84Å; L238-F241 PolarHBondContact O-N 2.88Å; F241-R243 VanDerWaalsContact C-N 3.34Å; F241-R243 PolarHBondContact O-N 2.79Å; F241-M244 HydrophobicContact CD2-CE 3.44Å; F241-M244 VanDerWaalsContact CD2-CE 3.44Å; F241-M244 HydrophobicContact CE2-CE 3.38Å; F241-M244 HydrophobicContact CG-CE 4.41Å; F241-M244 HydrophobicContact CZ-CE 4.33Å; F241-M244 PolarHBondContact O-N 2.76Å; F241-A245 WeakPolarHBondContact O-CB 3.45Å; F241-A245 PolarHBondContact O-N 2.79Å; F241-L253 HydrophobicContact CD1-CD1 3.69Å; F241-L253 HydrophobicContact CE1-CD1 3.43Å; F241-L253 VanDerWaalsContact CE1-CD1 3.43Å; F241-L253 HydrophobicContact CZ-CD1 4.33Å; F241-I258 HydrophobicContact CD1-CG1 4.38Å; F241-I258 HydrophobicContact CE1-CG1 4.46Å
242K98.1Very high97Very high58 Ų5870.9 Ų70.925%0.25232%0.318SS..Hα-helixtrans-58.3-43174-74.8168-173.4168.60112.3L238 D239 A245 L246 L253 I258L238-K242 WeakPolarHBondContact O-CB 2.89Å; L238-K242 WeakPolarHBondContact O-CG 3.18Å; L238-K242 PolarHBondContact O-N 3.44Å; D239-K242 IonicContact OD1-NZ 3.31Å; D239-K242 PolarHBondContact OD1-NZ 2.84Å; K242-A245 PolarHBondContact O-N 2.87Å; K242-L246 WeakPolarHBondContact O-CB 3.36Å; K242-L246 PolarHBondContact O-N 2.96Å; K242-L253 HydrophobicContact CG-CB 4.1Å; K242-I258 HydrophobicContact CG-CD1 4.22Å
243R97.5Very high97Very high150 Ų15069.5 Ų69.557%0.56631%0.31SS*.Hα-helixtrans-63.1-45.8176.4-76.3-172-60.2-88.83.3111.4D239 A240 F241 L246 E247D239-R243 WeakPolarHBondContact O-CG 3.34Å; D239-R243 PolarHBondContact O-N 2.87Å; D239-R243 PolarHBondContact O-NH1 3.04Å; A240-R243 PolarHBondContact O-N 2.93Å; F241-R243 VanDerWaalsContact C-N 3.34Å; F241-R243 PolarHBondContact O-N 2.79Å; R243-L246 PolarHBondContact O-N 3.42Å; R243-E247 PolarHBondContact O-N 2.9Å
244M96.6Very high97Very high1 Ų171.7 Ų71.71%0.00533%0.326CS..Hα-helixtrans-59.5-48.2176.3179.6-77.2-60.500111.4Q177 A180 I181 L212 A240 F241 L246 E247 V248 F249Q177-M244 HydrophobicContact CB-CG 3.53Å; Q177-M244 HydrophobicContact CG-CG 3.85Å; A180-M244 HydrophobicContact CB-CB 4.05Å; A180-M244 HydrophobicContact CB-CG 4.47Å; I181-M244 HydrophobicContact CD1-CE 3.92Å; I181-M244 HydrophobicContact CD1-SD 4.34Å; I181-M244 HydrophobicContact CG1-CE 3.47Å; I181-M244 VanDerWaalsContact CG1-CE 3.47Å; I181-M244 HydrophobicContact CG1-SD 4.4Å; L212-M244 HydrophobicContact CD1-CE 4.11Å; A240-M244 PolarHBondContact O-N 2.81Å; F241-M244 HydrophobicContact CD2-CE 3.44Å; F241-M244 VanDerWaalsContact CD2-CE 3.44Å; F241-M244 HydrophobicContact CE2-CE 3.38Å; F241-M244 HydrophobicContact CG-CE 4.41Å; F241-M244 HydrophobicContact CZ-CE 4.33Å; F241-M244 PolarHBondContact O-N 2.76Å; M244-L246 VanDerWaalsContact C-N 3.27Å; M244-L246 PolarHBondContact O-N 3.35Å; M244-E247 PolarHBondContact O-N 3.05Å; M244-V248 HydrophobicContact CG-CG2 4.27Å; M244-V248 WeakPolarHBondContact O-CB 3.21Å; M244-V248 WeakPolarHBondContact O-CG2 3.45Å; M244-V248 PolarHBondContact O-N 2.99Å; M244-V248 HydrophobicContact SD-CB 4.34Å; M244-V248 HydrophobicContact SD-CG2 4.14Å; M244-F249 HydrophobicContact SD-CD2 4.19Å; M244-F249 HydrophobicContact SD-CE2 3.78Å
245A97.4Very high96.9Very high0 Ų068.6 Ų68.60%032%0.318CS..Hα-helixtrans-59.9-38.3178.900000112.5L212 F241 K242 F249 R250 V251 L253L212-A245 HydrophobicContact CD2-CB 3.92Å; F241-A245 WeakPolarHBondContact O-CB 3.45Å; F241-A245 PolarHBondContact O-N 2.79Å; K242-A245 PolarHBondContact O-N 2.87Å; A245-F249 CarbonylContact O-C 3.24Å; A245-F249 WeakPolarHBondContact O-CA 3.39Å; A245-F249 WeakPolarHBondContact O-CB 3.39Å; A245-F249 PolarHBondContact O-N 2.73Å; A245-R250 PolarHBondContact O-N 2.86Å; A245-R250 VanDerWaalsContact O-N 3.14Å; A245-V251 CarbonylContact C-O 3.23Å; A245-V251 PolarHBondContact O-N 3.2Å; A245-L253 HydrophobicContact CB-CD1 3.37Å; A245-L253 HydrophobicContact CB-CG 3.81Å
246L97.7Very high96.9Very high101 Ų10163.4 Ų63.453%0.52931%0.305SS..Hα-helixtrans-69.6-41.8176.2-17662.9000112.4K242 R243 M244 R250 V251K242-L246 WeakPolarHBondContact O-CB 3.36Å; K242-L246 PolarHBondContact O-N 2.96Å; R243-L246 PolarHBondContact O-N 3.42Å; M244-L246 VanDerWaalsContact C-N 3.27Å; M244-L246 PolarHBondContact O-N 3.35Å; L246-R250 WeakPolarHBondContact O-CA 3.49Å; L246-R250 PolarHBondContact O-N 3.29Å; L246-V251 WeakPolarHBondContact CA-O 3.31Å; L246-V251 PolarHBondContact N-O 3.43Å
247E96.2Very high96.9Very high92 Ų9258.4 Ų58.443%0.4328%0.281SS..Hα-helixtrans-70.3-45.9-179-172.6-173.7170.600112K174 F176 Q177 R243 M244K174-E247 IonicContact NZ-OE1 3.6Å; K174-E247 PolarHBondContact NZ-OE1 3.29Å; F176-E247 WeakPolarHBondContact CE2-OE2 3.3Å; F176-E247 WeakPolarHBondContact CZ-OE2 3.45Å; Q177-E247 PolarHBondContact NE2-OE1 2.99Å; Q177-E247 PolarHBondContact NE2-OE2 3.25Å; Q177-E247 VanDerWaalsContact NE2-OE2 3.11Å; R243-E247 PolarHBondContact O-N 2.9Å; M244-E247 PolarHBondContact O-N 3.05Å
248V94.4Very high96.9Very high45 Ų4557 Ų5727%0.27327%0.273SS..Hα-helixtrans-86.9-51.3-171.2178.10000111.3L173 Q177 M244L173-V248 HydrophobicContact CD2-CB 4.39Å; L173-V248 HydrophobicContact CD2-CG1 3.49Å; L173-V248 VanDerWaalsContact CD2-CG1 3.49Å; L173-V248 HydrophobicContact CD2-CG2 3.97Å; Q177-V248 HydrophobicContact CG-CG2 4.15Å; Q177-V248 VanDerWaalsContact NE2-CG2 3.3Å; M244-V248 HydrophobicContact CG-CG2 4.27Å; M244-V248 WeakPolarHBondContact O-CB 3.21Å; M244-V248 WeakPolarHBondContact O-CG2 3.45Å; M244-V248 PolarHBondContact O-N 2.99Å; M244-V248 HydrophobicContact SD-CB 4.34Å; M244-V248 HydrophobicContact SD-CG2 4.14Å
249F94.7Very high96.9Very high1 Ų158.9 Ų58.90%0.00428%0.281CS..THydrogen-bonded Turntrans-98.8-7.9-172-57.7-93.7000112.4Y209 L212 W213 K216 M244 A245 V251Y209-F249 HydrophobicContact CD2-CE1 4.42Å; Y209-F249 AromaticContact CD2-CZ 3.98Å; Y209-F249 HydrophobicContact CD2-CZ 3.98Å; Y209-F249 HydrophobicContact CE2-CE1 4.34Å; Y209-F249 HydrophobicContact CE2-CZ 4.12Å; L212-F249 HydrophobicContact CB-CD1 3.76Å; L212-F249 HydrophobicContact CB-CD2 4.15Å; L212-F249 HydrophobicContact CB-CE1 3.83Å; L212-F249 HydrophobicContact CB-CE2 4.24Å; L212-F249 HydrophobicContact CB-CG 3.92Å; L212-F249 HydrophobicContact CB-CZ 4.08Å; L212-F249 HydrophobicContact CD1-CD2 3.91Å; L212-F249 HydrophobicContact CD1-CE2 3.59Å; L212-F249 HydrophobicContact CD1-CZ 3.94Å; L212-F249 HydrophobicContact CG-CD2 4.47Å; L212-F249 HydrophobicContact CG-CE2 4.49Å; W213-F249 AromaticContact CD1-CE1 3.64Å; W213-F249 HydrophobicContact CD2-CD1 4.19Å; W213-F249 HydrophobicContact CD2-CE1 4.25Å; W213-F249 AromaticContact CE2-CE1 3.88Å; W213-F249 HydrophobicContact CG-CD1 4.28Å; W213-F249 HydrophobicContact CG-CE1 4.1Å; W213-F249 AromaticContact NE1-CE1 3.49Å; K216-F249 VanDerWaalsContact CD-O 3.31Å; K216-F249 WeakPolarHBondContact CD-O 3.21Å; K216-F249 WeakPolarHBondContact CG-O 3.39Å; M244-F249 HydrophobicContact SD-CD2 4.19Å; M244-F249 HydrophobicContact SD-CE2 3.78Å; A245-F249 CarbonylContact O-C 3.24Å; A245-F249 WeakPolarHBondContact O-CA 3.39Å; A245-F249 WeakPolarHBondContact O-CB 3.39Å; A245-F249 PolarHBondContact O-N 2.73Å; F249-V251 HydrophobicContact CB-CB 4.43Å; F249-V251 HydrophobicContact CB-CG2 3.95Å; F249-V251 PolarHBondContact O-N 3.19Å
250R96.5Very high96.9Very high214 Ų21456.9 Ų56.981%0.80827%0.271SS*.  trans59.730.7-173.6-54-179.2-178.6176.90.6112.8A245 L246A245-R250 PolarHBondContact O-N 2.86Å; A245-R250 VanDerWaalsContact O-N 3.14Å; L246-R250 WeakPolarHBondContact O-CA 3.49Å; L246-R250 PolarHBondContact O-N 3.29Å
251V96.7Very high97Very high8 Ų855.9 Ų55.95%0.04826%0.262CS..  trans-107.4124.3-178.7178.70000110.5I215 K216 A245 L246 F249 L253I215-V251 HydrophobicContact CG2-CG1 3.68Å; K216-V251 VanDerWaalsContact CA-CG2 3.49Å; K216-V251 HydrophobicContact CB-CG2 3.58Å; K216-V251 HydrophobicContact CG-CG2 4.21Å; A245-V251 CarbonylContact C-O 3.23Å; A245-V251 PolarHBondContact O-N 3.2Å; L246-V251 WeakPolarHBondContact CA-O 3.31Å; L246-V251 PolarHBondContact N-O 3.43Å; F249-V251 HydrophobicContact CB-CB 4.43Å; F249-V251 HydrophobicContact CB-CG2 3.95Å; F249-V251 PolarHBondContact O-N 3.19Å; V251-L253 HydrophobicContact CG1-CD2 3.58Å; V251-L253 HydrophobicContact CG1-CG 4.17Å
252K97.4Very high96.9Very high177 Ų17756 Ų5677%0.7726%0.262SS*.  trans-83.8113.2166-172.3178-179.4-179.40109.6
253L97.5Very high96.9Very high12 Ų1253.2 Ų53.26%0.06325%0.25CS..  trans-91.8124.6-179.3-62.7176.4000112.2L212 F241 K242 A245 V251 K257 I258L212-L253 HydrophobicContact CD2-CD1 4.04Å; L212-L253 HydrophobicContact CD2-CD2 4.1Å; F241-L253 HydrophobicContact CD1-CD1 3.69Å; F241-L253 HydrophobicContact CE1-CD1 3.43Å; F241-L253 VanDerWaalsContact CE1-CD1 3.43Å; F241-L253 HydrophobicContact CZ-CD1 4.33Å; K242-L253 HydrophobicContact CG-CB 4.1Å; A245-L253 HydrophobicContact CB-CD1 3.37Å; A245-L253 HydrophobicContact CB-CG 3.81Å; V251-L253 HydrophobicContact CG1-CD2 3.58Å; V251-L253 HydrophobicContact CG1-CG 4.17Å; L253-K257 HydrophobicContact CB-CB 4.49Å; L253-K257 HydrophobicContact CD2-CB 3.71Å; L253-K257 HydrophobicContact CD2-CD 4.45Å; L253-I258 HydrophobicContact CB-CG1 4.11Å; L253-I258 HydrophobicContact CD1-CG1 4.2Å
254S96.1Very high96.8Very high52 Ų5246.2 Ų46.236%0.36422%0.224SC..  trans-84.7174160.262.30000110.2D256 K257 I258S254-D256 VanDerWaalsContact C-N 3.28Å; S254-D256 PolarHBondContact O-N 3.07Å; S254-K257 PolarHBondContact O-N 3.27Å; S254-K257 PolarHBondContact OG-N 3.22Å; S254-I258 WeakPolarHBondContact O-CG1 3.2Å; S254-I258 PolarHBondContact O-N 3.49Å; S254-I258 VanDerWaalsContact O-N 3.09Å
255S95.5Very high96.8Very high60 Ų6046.5 Ų46.542%0.4223%0.226SC..Hα-helixtrans-57.5-41.8172.7-57.30000111.9K257 I258 K259S255-K257 PolarHBondContact O-N 2.81Å; S255-I258 WeakPolarHBondContact O-CB 3.42Å; S255-I258 PolarHBondContact O-N 2.87Å; S255-I258 VanDerWaalsContact O-N 3.11Å; S255-K259 PolarHBondContact O-N 3.4Å
256D96.4Very high96.7Very high90 Ų9046.5 Ų46.548%0.48123%0.226SC..Hα-helixtrans-64.6-39.5179-51.3-38.5000111.9S254 I258 K259 D260S254-D256 VanDerWaalsContact C-N 3.28Å; S254-D256 PolarHBondContact O-N 3.07Å; D256-I258 VanDerWaalsContact C-N 3.27Å; D256-I258 PolarHBondContact O-N 2.95Å; D256-K259 WeakPolarHBondContact O-CB 3.39Å; D256-K259 PolarHBondContact O-N 2.82Å; D256-D260 PolarHBondContact O-N 2.91Å
257K97.5Very high96.5Very high53 Ų5341.7 Ų41.723%0.2320%0.202CC..Hα-helixtrans-68.3-26.4174.9-66.5-173.3-179.1-162.60112.9I215 Y220 L253 S254 S255 D260 C261I215-K257 HydrophobicContact CG2-CD 4.16Å; Y220-K257 HydrophobicContact CE1-CD 4.23Å; Y220-K257 HydrophobicContact CE1-CG 4.5Å; Y220-K257 PolarHBondContact OH-NZ 3.19Å; Y220-K257 VanDerWaalsContact OH-NZ 3.16Å; L253-K257 HydrophobicContact CB-CB 4.49Å; L253-K257 HydrophobicContact CD2-CB 3.71Å; L253-K257 HydrophobicContact CD2-CD 4.45Å; S254-K257 PolarHBondContact O-N 3.27Å; S254-K257 PolarHBondContact OG-N 3.22Å; S255-K257 PolarHBondContact O-N 2.81Å; K257-D260 WeakPolarHBondContact O-CB 3.42Å; K257-C261 PolarHBondContact O-N 3.4Å; K257-C261 VanDerWaalsContact O-N 3.08Å; K257-C261 PolarHBondContact O-SG 3.41Å
258I98Very high96.4Very high0 Ų037.3 Ų37.30%018%0.181CC..Hα-helixtrans-72.4-40.6171.8-65.5158.4000110.1L232 L238 F241 K242 L253 S254 S255 D256 D260 C261 L262L232-I258 HydrophobicContact CD2-CB 4.41Å; L232-I258 HydrophobicContact CD2-CG2 3.67Å; L238-I258 HydrophobicContact CD2-CD1 4.17Å; L238-I258 HydrophobicContact CD2-CG2 4.17Å; F241-I258 HydrophobicContact CD1-CG1 4.38Å; F241-I258 HydrophobicContact CE1-CG1 4.46Å; K242-I258 HydrophobicContact CG-CD1 4.22Å; L253-I258 HydrophobicContact CB-CG1 4.11Å; L253-I258 HydrophobicContact CD1-CG1 4.2Å; S254-I258 WeakPolarHBondContact O-CG1 3.2Å; S254-I258 PolarHBondContact O-N 3.49Å; S254-I258 VanDerWaalsContact O-N 3.09Å; S255-I258 WeakPolarHBondContact O-CB 3.42Å; S255-I258 PolarHBondContact O-N 2.87Å; S255-I258 VanDerWaalsContact O-N 3.11Å; D256-I258 VanDerWaalsContact C-N 3.27Å; D256-I258 PolarHBondContact O-N 2.95Å; I258-D260 VanDerWaalsContact C-N 3.29Å; I258-D260 PolarHBondContact O-N 3.24Å; I258-C261 WeakPolarHBondContact O-CB 3.49Å; I258-C261 PolarHBondContact O-N 2.87Å; I258-L262 HydrophobicContact CG2-CD1 4.36Å; I258-L262 PolarHBondContact O-N 3.09Å
259K97.9Very high96.4Very high56 Ų5635.3 Ų35.324%0.24317%0.169CC..Hα-helixtrans-60.5-39.6171.6-66-173.2172.1-169.50111.6L226 L232 S255 D256 C261 L262 W263 Y266L226-K259 HydrophobicContact CD1-CB 4.32Å; L232-K259 HydrophobicContact CD2-CG 4.39Å; S255-K259 PolarHBondContact O-N 3.4Å; D256-K259 WeakPolarHBondContact O-CB 3.39Å; D256-K259 PolarHBondContact O-N 2.82Å; K259-C261 PolarHBondContact O-N 3.09Å; K259-L262 CarbonylContact O-C 3.47Å; K259-L262 WeakPolarHBondContact O-CA 3.29Å; K259-L262 PolarHBondContact O-N 2.92Å; K259-W263 PolarHBondContact O-N 2.93Å; K259-Y266 HydrophobicContact CB-CD1 4.4Å; K259-Y266 HydrophobicContact CB-CD2 3.88Å; K259-Y266 HydrophobicContact CB-CE2 4.16Å; K259-Y266 HydrophobicContact CB-CG 4.01Å; K259-Y266 HydrophobicContact CD-CD1 3.94Å; K259-Y266 HydrophobicContact CD-CE1 3.88Å; K259-Y266 HydrophobicContact CD-CG 4.38Å; K259-Y266 HydrophobicContact CG-CD1 4.07Å; K259-Y266 HydrophobicContact CG-CD2 4.04Å; K259-Y266 HydrophobicContact CG-CE1 3.88Å; K259-Y266 HydrophobicContact CG-CE2 3.87Å; K259-Y266 HydrophobicContact CG-CG 4.14Å
260D98.2Very high96.3Very high4 Ų437 Ų372%0.02118%0.179CC..Hα-helixtrans-59.6-42.5173.2-174.8-27.5000111.3R152 I215 Y220 Y221 L226 D256 K257 I258 L262 W263R152-D260 IonicContact CZ-OD1 3.7Å; R152-D260 PolarHBondContact NH1-O 3.32Å; R152-D260 IonicContact NH1-OD1 3.62Å; R152-D260 PolarHBondContact NH1-OD1 3.03Å; R152-D260 IonicContact NH2-OD1 2.84Å; R152-D260 PolarHBondContact NH2-OD1 3.13Å; R152-D260 IonicContact NH2-OD2 2.62Å; I215-D260 HydrophobicContact CD1-CB 4.07Å; Y220-D260 WeakPolarHBondContact CA-OD2 3.26Å; Y221-D260 WeakPolarHBondContact CB-OD1 3.23Å; Y221-D260 PolarHBondContact N-OD2 3.13Å; L226-D260 HydrophobicContact CD1-CB 4Å; D256-D260 PolarHBondContact O-N 2.91Å; K257-D260 WeakPolarHBondContact O-CB 3.42Å; I258-D260 VanDerWaalsContact C-N 3.29Å; I258-D260 PolarHBondContact O-N 3.24Å; D260-L262 PolarHBondContact O-N 3.38Å; D260-L262 VanDerWaalsContact O-N 3.1Å; D260-W263 VanDerWaalsContact O-CB 3.28Å; D260-W263 WeakPolarHBondContact O-CB 3.35Å; D260-W263 VanDerWaalsContact O-CD1 3.27Å; D260-W263 PolarHBondContact O-N 3.03Å; D260-W263 VanDerWaalsContact O-N 3.07Å
261C98.2Very high96.2Very high0 Ų027 Ų270%014%0.142CC..Hα-helixtrans-62.3-19.8172.8-64.20000113.8N207 M208 K257 I258 K259N207-C261 PolarHBondContact ND2-O 3.12Å; M208-C261 HydrophobicContact CG-CB 4.12Å; M208-C261 WeakPolarHBondContact CG-O 3.37Å; K257-C261 PolarHBondContact O-N 3.4Å; K257-C261 VanDerWaalsContact O-N 3.08Å; K257-C261 PolarHBondContact O-SG 3.41Å; I258-C261 WeakPolarHBondContact O-CB 3.49Å; I258-C261 PolarHBondContact O-N 2.87Å; K259-C261 PolarHBondContact O-N 3.09Å
262L97.3Very high96Very high1 Ų128.1 Ų28.11%0.00515%0.152CC..THydrogen-bonded Turntrans-112.824.1179.3-65.2169.4000111.3L184 F188 L204 M208 I258 K259 D260 L264 S265 Y266L184-L262 HydrophobicContact CD2-CD1 4.23Å; L184-L262 HydrophobicContact CD2-CD2 4.32Å; F188-L262 HydrophobicContact CD1-CD1 4.39Å; F188-L262 HydrophobicContact CD1-CD2 4.08Å; F188-L262 HydrophobicContact CD2-CD1 3.98Å; F188-L262 HydrophobicContact CE1-CD1 4.35Å; F188-L262 HydrophobicContact CE1-CD2 4.12Å; F188-L262 HydrophobicContact CE2-CD1 3.95Å; F188-L262 HydrophobicContact CG-CD1 4.2Å; F188-L262 HydrophobicContact CZ-CD1 4.13Å; L204-L262 HydrophobicContact CD2-CD2 4.09Å; M208-L262 HydrophobicContact CG-CD2 4.2Å; M208-L262 HydrophobicContact SD-CD2 4.26Å; I258-L262 HydrophobicContact CG2-CD1 4.36Å; I258-L262 PolarHBondContact O-N 3.09Å; K259-L262 CarbonylContact O-C 3.47Å; K259-L262 WeakPolarHBondContact O-CA 3.29Å; K259-L262 PolarHBondContact O-N 2.92Å; D260-L262 PolarHBondContact O-N 3.38Å; D260-L262 VanDerWaalsContact O-N 3.1Å; L262-L264 PolarHBondContact O-N 2.81Å; L262-S265 PolarHBondContact O-N 2.97Å; L262-Y266 HydrophobicContact CB-CD2 3.66Å; L262-Y266 HydrophobicContact CB-CE2 3.85Å; L262-Y266 HydrophobicContact CD1-CE2 3.92Å; L262-Y266 PolarHBondContact O-N 3.31Å; L262-Y266 VanDerWaalsContact O-N 3.11Å
263W97.1Very high95.6Very high0 Ų020.5 Ų20.50%012%0.121CC..Hα-helixtrans-53.3-34.3-171.768.4-86.2000114R152 N207 Y221 L226 K259 D260 S265 Y266 A267 V269R152-W263 HydrophobicContact CB-CZ2 3.84Å; R152-W263 VanDerWaalsContact NH1-CD1 3.25Å; N207-W263 VanDerWaalsContact ND2-CD1 3.31Å; N207-W263 PolarHBondContact ND2-NE1 3.11Å; N207-W263 PolarHBondContact OD1-NE1 3.48Å; Y221-W263 HydrophobicContact CD1-CB 4.03Å; Y221-W263 HydrophobicContact CD2-CB 3.82Å; Y221-W263 AromaticContact CD2-CD2 3.76Å; Y221-W263 HydrophobicContact CD2-CD2 3.76Å; Y221-W263 AromaticContact CD2-CE3 3.84Å; Y221-W263 HydrophobicContact CD2-CE3 3.84Å; Y221-W263 AromaticContact CD2-CG 3.77Å; Y221-W263 HydrophobicContact CD2-CG 3.77Å; Y221-W263 HydrophobicContact CE1-CB 4.43Å; Y221-W263 HydrophobicContact CE2-CB 4.23Å; Y221-W263 AromaticContact CE2-CD2 3.65Å; Y221-W263 HydrophobicContact CE2-CD2 3.65Å; Y221-W263 AromaticContact CE2-CE3 3.21Å; Y221-W263 HydrophobicContact CE2-CE3 3.21Å; Y221-W263 HydrophobicContact CE2-CG 4.11Å; Y221-W263 AromaticContact CE2-CZ3 3.77Å; Y221-W263 HydrophobicContact CE2-CZ3 3.77Å; Y221-W263 HydrophobicContact CG-CB 3.71Å; Y221-W263 HydrophobicContact CG-CG 4.17Å; Y221-W263 AromaticContact CZ-CE3 3.66Å; L226-W263 HydrophobicContact CD2-CB 3.76Å; K259-W263 PolarHBondContact O-N 2.93Å; D260-W263 VanDerWaalsContact O-CB 3.28Å; D260-W263 WeakPolarHBondContact O-CB 3.35Å; D260-W263 VanDerWaalsContact O-CD1 3.27Å; D260-W263 PolarHBondContact O-N 3.03Å; D260-W263 VanDerWaalsContact O-N 3.07Å; W263-S265 PolarHBondContact O-N 3.16Å; W263-Y266 PolarHBondContact O-N 3.14Å; W263-A267 WeakPolarHBondContact O-CB 3.24Å; W263-A267 PolarHBondContact O-N 2.81Å; W263-V269 HydrophobicContact CE3-CG2 4.23Å; W263-V269 HydrophobicContact CZ3-CB 4.17Å; W263-V269 HydrophobicContact CZ3-CG1 3.99Å; W263-V269 HydrophobicContact CZ3-CG2 3.92Å
264L96Very high95.2Very high3 Ų325.4 Ų25.42%0.01614%0.142CC..Hα-helixtrans-54.2-39.4177.3-72.5171000112.2R203 N207 L262 V269 V270R203-L264 HydrophobicContact CG-CD1 4.04Å; R203-L264 VanDerWaalsContact CZ-CD1 3.42Å; R203-L264 VanDerWaalsContact NH2-CD2 3.3Å; N207-L264 HydrophobicContact CB-CD1 3.91Å; N207-L264 WeakPolarHBondContact OD1-CD1 3.42Å; L262-L264 PolarHBondContact O-N 2.81Å; L264-V269 HydrophobicContact CD2-CB 4.41Å; L264-V269 HydrophobicContact CD2-CG1 3.94Å; L264-V269 PolarHBondContact O-N 3.05Å; L264-V269 VanDerWaalsContact O-N 3.09Å; L264-V270 HydrophobicContact CB-CB 4.46Å; L264-V270 HydrophobicContact CB-CG2 4.22Å; L264-V270 HydrophobicContact CD2-CG2 4.07Å; L264-V270 PolarHBondContact O-N 3.11Å
265S95.5Very high94.8Very high7 Ų727.5 Ų27.55%0.04915%0.153CC..Hα-helixtrans-87.2-44.9179.6-54.90000111.2L262 W263 A267 D268 Q276L262-S265 PolarHBondContact O-N 2.97Å; W263-S265 PolarHBondContact O-N 3.16Å; S265-A267 VanDerWaalsContact C-N 3.34Å; S265-A267 PolarHBondContact O-N 2.82Å; S265-D268 PolarHBondContact O-N 3.01Å; S265-D268 VanDerWaalsContact O-N 3.16Å; S265-Q276 PolarHBondContact O-NE2 2.91Å; S265-Q276 VanDerWaalsContact O-NE2 3.14Å
266Y95.7Very high94.7Very high0 Ų024.8 Ų24.80%013%0.134CC..Hα-helixtrans-71.9-23.3-176.3-81.3-77.8000114.7F188 L226 D227 S228 L230 L232 K259 L262 W263 D268F188-Y266 AromaticContact CE2-CE2 3.85Å; F188-Y266 HydrophobicContact CE2-CE2 3.85Å; F188-Y266 HydrophobicContact CZ-CE2 4Å; L226-Y266 CarbonylContact C-O 3.51Å; D227-Y266 PolarHBondContact N-O 3.44Å; S228-Y266 VanDerWaalsContact CB-O 3.29Å; S228-Y266 WeakPolarHBondContact CB-O 3.38Å; S228-Y266 PolarHBondContact N-O 3.23Å; L230-Y266 HydrophobicContact CB-CD1 4.29Å; L230-Y266 HydrophobicContact CB-CE1 3.74Å; L230-Y266 WeakPolarHBondContact O-CE1 3.42Å; L230-Y266 PolarHBondContact O-OH 2.87Å; L232-Y266 HydrophobicContact CD2-CE2 4.31Å; L232-Y266 WeakPolarHBondContact CD2-OH 3.43Å; L232-Y266 WeakPolarHBondContact CG-OH 3.33Å; L232-Y266 PolarHBondContact N-OH 3.41Å; K259-Y266 HydrophobicContact CB-CD1 4.4Å; K259-Y266 HydrophobicContact CB-CD2 3.88Å; K259-Y266 HydrophobicContact CB-CE2 4.16Å; K259-Y266 HydrophobicContact CB-CG 4.01Å; K259-Y266 HydrophobicContact CD-CD1 3.94Å; K259-Y266 HydrophobicContact CD-CE1 3.88Å; K259-Y266 HydrophobicContact CD-CG 4.38Å; K259-Y266 HydrophobicContact CG-CD1 4.07Å; K259-Y266 HydrophobicContact CG-CD2 4.04Å; K259-Y266 HydrophobicContact CG-CE1 3.88Å; K259-Y266 HydrophobicContact CG-CE2 3.87Å; K259-Y266 HydrophobicContact CG-CG 4.14Å; L262-Y266 HydrophobicContact CB-CD2 3.66Å; L262-Y266 HydrophobicContact CB-CE2 3.85Å; L262-Y266 HydrophobicContact CD1-CE2 3.92Å; L262-Y266 PolarHBondContact O-N 3.31Å; L262-Y266 VanDerWaalsContact O-N 3.11Å; W263-Y266 PolarHBondContact O-N 3.14Å; Y266-D268 VanDerWaalsContact C-N 3.34Å
267A94.4Very high94.6Very high1 Ų120.5 Ų20.51%0.00811%0.111CC..THydrogen-bonded Turntrans-93.37.8172.900000113.4Y221 E225 L226 W263 S265 V269 R326Y221-A267 HydrophobicContact CE1-CB 3.81Å; E225-A267 HydrophobicContact CB-CB 4.39Å; E225-A267 WeakPolarHBondContact O-CA 3.27Å; L226-A267 HydrophobicContact CD2-CB 4.29Å; W263-A267 WeakPolarHBondContact O-CB 3.24Å; W263-A267 PolarHBondContact O-N 2.81Å; S265-A267 VanDerWaalsContact C-N 3.34Å; S265-A267 PolarHBondContact O-N 2.82Å; A267-V269 HydrophobicContact CB-CG2 3.92Å; A267-V269 PolarHBondContact O-N 3.38Å; A267-R326 PolarHBondContact O-NH2 2.94Å
268D93.8Very high94.3Very high0 Ų022 Ų220%012%0.121CC..THydrogen-bonded Turntrans48.835.8-175.2-61.6-45.5000112.6S228 S265 Y266 V271 Q276 A280S228-D268 WeakPolarHBondContact CB-OD1 3.49Å; S228-D268 PolarHBondContact OG-OD1 3.31Å; S265-D268 PolarHBondContact O-N 3.01Å; S265-D268 VanDerWaalsContact O-N 3.16Å; Y266-D268 VanDerWaalsContact C-N 3.34Å; D268-V271 HydrophobicContact CB-CG2 4.06Å; D268-Q276 WeakPolarHBondContact OD1-CG 3.36Å; D268-Q276 PolarHBondContact OD1-NE2 3.47Å; D268-A280 HydrophobicContact CB-CB 4.03Å
269V93.6Very high94Very high3 Ų323.1 Ų23.12%0.01813%0.129CC..SBendtrans-76-35.3172.1172.50000109.7W263 L264 A267 N323 R326 I327W263-V269 HydrophobicContact CE3-CG2 4.23Å; W263-V269 HydrophobicContact CZ3-CB 4.17Å; W263-V269 HydrophobicContact CZ3-CG1 3.99Å; W263-V269 HydrophobicContact CZ3-CG2 3.92Å; L264-V269 HydrophobicContact CD2-CB 4.41Å; L264-V269 HydrophobicContact CD2-CG1 3.94Å; L264-V269 PolarHBondContact O-N 3.05Å; L264-V269 VanDerWaalsContact O-N 3.09Å; A267-V269 HydrophobicContact CB-CG2 3.92Å; A267-V269 PolarHBondContact O-N 3.38Å; V269-N323 WeakPolarHBondContact O-CA 3.25Å; V269-R326 HydrophobicContact CB-CB 4.32Å; V269-R326 HydrophobicContact CG1-CB 4.13Å; V269-R326 HydrophobicContact CG2-CB 4.44Å; V269-I327 HydrophobicContact CG1-CG1 3.57Å
270V93.8Very high93.8Very high37 Ų3720.4 Ų20.422%0.22412%0.117CC..SBendtrans-121.8106.8169.6179.90000108.5L264 Q276L264-V270 HydrophobicContact CB-CB 4.46Å; L264-V270 HydrophobicContact CB-CG2 4.22Å; L264-V270 HydrophobicContact CD2-CG2 4.07Å; L264-V270 PolarHBondContact O-N 3.11Å; V270-Q276 PolarHBondContact O-NE2 3Å
271V94.1Very high93.6Very high2 Ų222.1 Ų22.11%0.01213%0.126CC..  trans-91.8120.4171.2179.40000109D268 Q276 L277 A280 Y287 I319 N323D268-V271 HydrophobicContact CB-CG2 4.06Å; V271-Q276 HydrophobicContact CG1-CB 4.15Å; V271-Q276 HydrophobicContact CG1-CG 4.19Å; V271-Q276 HydrophobicContact CG2-CG 4.46Å; V271-L277 HydrophobicContact CG1-CB 3.79Å; V271-L277 HydrophobicContact CG1-CD1 4.38Å; V271-A280 HydrophobicContact CG2-CB 4.36Å; V271-Y287 HydrophobicContact CG2-CE2 3.89Å; V271-Y287 VanDerWaalsContact CG2-OH 3.25Å; V271-Y287 WeakPolarHBondContact CG2-OH 3.41Å; V271-I319 HydrophobicContact CB-CG2 4.22Å; V271-I319 HydrophobicContact CG1-CG2 4.41Å; V271-I319 WeakPolarHBondContact O-CG2 3.23Å; V271-N323 PolarHBondContact N-OD1 2.89Å; V271-N323 PolarHBondContact O-ND2 3.31Å
272A91.5Very high93.3Very high33 Ų3331.9 Ų31.927%0.27316%0.163SC..  trans-125.28.1-17200000114L194 E195L194-A272 HydrophobicContact CB-CB 4.44Å; L194-A272 HydrophobicContact CD2-CB 4.45Å; E195-A272 HydrophobicContact CB-CB 4.43Å; E195-A272 PolarHBondContact N-O 2.69Å
273S89.8Confident92.8Very high17 Ų1734 Ų3412%0.11917%0.171CC..SBendtrans-151.1156.6175.1790000112K193 T275 Q276 L277K193-S273 WeakPolarHBondContact O-CB 3.48Å; S273-T275 VanDerWaalsContact C-N 3.25Å; S273-T275 PolarHBondContact O-N 3.19Å; S273-Q276 PolarHBondContact O-N 3.02Å; S273-Q276 WeakPolarHBondContact OG-CB 3.41Å; S273-Q276 PolarHBondContact OG-N 3.3Å; S273-Q276 VanDerWaalsContact OG-N 3.12Å; S273-L277 PolarHBondContact O-N 2.61Å
274K89.1Confident92.2Very high115 Ų11543.7 Ų43.750%0.522%0.216SC..Hα-helixtrans-60.5-35.9175.2-68.3-171.2172.6-171.30112.1L277 N278 D312K274-L277 PolarHBondContact O-N 2.91Å; K274-N278 VanDerWaalsContact O-CG 3.28Å; K274-N278 PolarHBondContact O-N 3.08Å; K274-N278 PolarHBondContact O-ND2 3.36Å; K274-D312 IonicContact NZ-OD1 2.73Å; K274-D312 PolarHBondContact NZ-OD1 3.23Å
275T88.2Confident91.7Very high96 Ų9646.2 Ų46.259%0.58923%0.23SC*.Hα-helixtrans-64.2-47.8176.9-530000110.9S273 L277 N278 S279S273-T275 VanDerWaalsContact C-N 3.25Å; S273-T275 PolarHBondContact O-N 3.19Å; T275-L277 VanDerWaalsContact C-N 3.33Å; T275-L277 PolarHBondContact O-N 3.03Å; T275-N278 PolarHBondContact O-N 3.49Å; T275-S279 PolarHBondContact O-N 3.33Å
276Q92.4Very high91.4Very high3 Ų347.4 Ų47.41%0.01424%0.243CC..Hα-helixtrans-62.5-41.9177.4-169.9-174.33.800111L230 S265 D268 V270 V271 S273 N278 S279 A280L230-Q276 HydrophobicContact CD2-CG 4.41Å; S265-Q276 PolarHBondContact O-NE2 2.91Å; S265-Q276 VanDerWaalsContact O-NE2 3.14Å; D268-Q276 WeakPolarHBondContact OD1-CG 3.36Å; D268-Q276 PolarHBondContact OD1-NE2 3.47Å; V270-Q276 PolarHBondContact O-NE2 3Å; V271-Q276 HydrophobicContact CG1-CB 4.15Å; V271-Q276 HydrophobicContact CG1-CG 4.19Å; V271-Q276 HydrophobicContact CG2-CG 4.46Å; S273-Q276 PolarHBondContact O-N 3.02Å; S273-Q276 WeakPolarHBondContact OG-CB 3.41Å; S273-Q276 PolarHBondContact OG-N 3.3Å; S273-Q276 VanDerWaalsContact OG-N 3.12Å; Q276-N278 VanDerWaalsContact C-N 3.33Å; Q276-N278 PolarHBondContact O-N 3.2Å; Q276-S279 PolarHBondContact O-N 3.04Å; Q276-A280 WeakPolarHBondContact O-CB 3.38Å; Q276-A280 PolarHBondContact O-N 3.47Å
277L93.7Very high91.2Very high0 Ų047.5 Ų47.50%024%0.243CC..Hα-helixtrans-57.4-46.2175.5178.363.7000111.7V271 S273 K274 T275 S279 A280 L281 Y287 Y291 Q315 I319V271-L277 HydrophobicContact CG1-CB 3.79Å; V271-L277 HydrophobicContact CG1-CD1 4.38Å; S273-L277 PolarHBondContact O-N 2.61Å; K274-L277 PolarHBondContact O-N 2.91Å; T275-L277 VanDerWaalsContact C-N 3.33Å; T275-L277 PolarHBondContact O-N 3.03Å; L277-S279 VanDerWaalsContact C-N 3.3Å; L277-S279 PolarHBondContact O-N 2.98Å; L277-A280 PolarHBondContact O-N 2.91Å; L277-L281 HydrophobicContact CD1-CD1 4.07Å; L277-L281 HydrophobicContact CD1-CD2 4.38Å; L277-L281 HydrophobicContact CD1-CG 3.95Å; L277-L281 HydrophobicContact CD2-CD1 4.43Å; L277-L281 HydrophobicContact CG-CD1 3.9Å; L277-L281 HydrophobicContact CG-CG 4.21Å; L277-L281 WeakPolarHBondContact O-CB 3.28Å; L277-L281 VanDerWaalsContact O-CG 3.29Å; L277-L281 WeakPolarHBondContact O-CG 3.47Å; L277-L281 PolarHBondContact O-N 3.3Å; L277-Y287 HydrophobicContact CD1-CE1 3.85Å; L277-Y291 HydrophobicContact CD1-CD2 4.04Å; L277-Y291 HydrophobicContact CD1-CE2 3.94Å; L277-Y291 HydrophobicContact CD2-CE2 4.18Å; L277-Q315 HydrophobicContact CD2-CG 3.86Å; L277-Q315 VanDerWaalsContact CD2-NE2 3.28Å; L277-I319 HydrophobicContact CD1-CG1 4.3Å; L277-I319 HydrophobicContact CD2-CD1 3.84Å; L277-I319 HydrophobicContact CD2-CG1 4.04Å
278N92.6Very high91.3Very high84 Ų8448.5 Ų48.545%0.44925%0.251SS..Hα-helixtrans-62.1-37.9179.9-72.6-25.5000112.5K274 T275 Q276 R282K274-N278 VanDerWaalsContact O-CG 3.28Å; K274-N278 PolarHBondContact O-N 3.08Å; K274-N278 PolarHBondContact O-ND2 3.36Å; T275-N278 PolarHBondContact O-N 3.49Å; Q276-N278 VanDerWaalsContact C-N 3.33Å; Q276-N278 PolarHBondContact O-N 3.2Å; N278-R282 WeakPolarHBondContact O-CG 3.49Å
279S90.8Very high91.3Very high23 Ų2351.2 Ų51.216%0.16127%0.271CS..Hα-helixtrans-66.6-47.4173.1-72.50000110.9D229 T275 Q276 L277 L281 R282D229-S279 WeakPolarHBondContact OD2-CB 3.42Å; D229-S279 PolarHBondContact OD2-OG 3.2Å; T275-S279 PolarHBondContact O-N 3.33Å; Q276-S279 PolarHBondContact O-N 3.04Å; L277-S279 VanDerWaalsContact C-N 3.3Å; L277-S279 PolarHBondContact O-N 2.98Å; S279-L281 VanDerWaalsContact C-N 3.33Å; S279-L281 PolarHBondContact O-N 3.41Å; S279-R282 PolarHBondContact O-N 2.82Å; S279-R282 VanDerWaalsContact O-N 3.1Å
280A93.5Very high91.3Very high0 Ų053.9 Ų53.90%028%0.281CS..Hα-helixtrans-59.3-40.2179.500000112.8D268 V271 Q276 L277 R282 R283 Y287D268-A280 HydrophobicContact CB-CB 4.03Å; V271-A280 HydrophobicContact CG2-CB 4.36Å; Q276-A280 WeakPolarHBondContact O-CB 3.38Å; Q276-A280 PolarHBondContact O-N 3.47Å; L277-A280 PolarHBondContact O-N 2.91Å; A280-R282 PolarHBondContact O-N 3.29Å; A280-R283 WeakPolarHBondContact O-CB 3.31Å; A280-R283 PolarHBondContact O-N 3.06Å; A280-Y287 HydrophobicContact CB-CD1 3.79Å; A280-Y287 HydrophobicContact CB-CD2 4.29Å; A280-Y287 HydrophobicContact CB-CE1 3.77Å; A280-Y287 HydrophobicContact CB-CE2 4.25Å; A280-Y287 HydrophobicContact CB-CG 4.09Å
281L94.9Very high91.5Very high39 Ų3952.6 Ų52.620%0.20427%0.272CS..THydrogen-bonded Turntrans-67.1-18.5178.3-71.4175.6000114.4L277 S279 Y287 A288 Y291L277-L281 HydrophobicContact CD1-CD1 4.07Å; L277-L281 HydrophobicContact CD1-CD2 4.38Å; L277-L281 HydrophobicContact CD1-CG 3.95Å; L277-L281 HydrophobicContact CD2-CD1 4.43Å; L277-L281 HydrophobicContact CG-CD1 3.9Å; L277-L281 HydrophobicContact CG-CG 4.21Å; L277-L281 WeakPolarHBondContact O-CB 3.28Å; L277-L281 VanDerWaalsContact O-CG 3.29Å; L277-L281 WeakPolarHBondContact O-CG 3.47Å; L277-L281 PolarHBondContact O-N 3.3Å; S279-L281 VanDerWaalsContact C-N 3.33Å; S279-L281 PolarHBondContact O-N 3.41Å; L281-Y287 HydrophobicContact CD2-CD1 4.09Å; L281-Y287 HydrophobicContact CD2-CE1 4.12Å; L281-A288 HydrophobicContact CD2-CB 4.07Å; L281-Y291 HydrophobicContact CD1-CE1 4.37Å; L281-Y291 HydrophobicContact CD2-CD1 3.56Å; L281-Y291 HydrophobicContact CD2-CE1 4.22Å; L281-Y291 HydrophobicContact CD2-CG 3.73Å
282R91.6Very high91.6Very high205 Ų20559 Ų5977%0.77430%0.297SS*.THydrogen-bonded Turntrans-87.7-9.4178.4-68.7170.9-173.5-1751.8113.1N278 S279 A280N278-R282 WeakPolarHBondContact O-CG 3.49Å; S279-R282 PolarHBondContact O-N 2.82Å; S279-R282 VanDerWaalsContact O-N 3.1Å; A280-R282 PolarHBondContact O-N 3.29Å
283R86.9Confident91.8Very high46 Ų4660.5 Ų60.517%0.17430%0.296CS..  trans-76.2144.1-177.4-61.8171.76681.27.3111D227 A280 D285D227-R283 PolarHBondContact O-NH1 2.86Å; D227-R283 VanDerWaalsContact O-NH1 3.07Å; D227-R283 IonicContact OD2-CZ 2.69Å; D227-R283 IonicContact OD2-NH1 3.03Å; D227-R283 PolarHBondContact OD2-NH1 3.25Å; D227-R283 IonicContact OD2-NH2 2.98Å; A280-R283 WeakPolarHBondContact O-CB 3.31Å; A280-R283 PolarHBondContact O-N 3.06Å; R283-D285 IonicContact CZ-OD2 3.45Å; R283-D285 IonicContact NE-OD2 2.91Å; R283-D285 PolarHBondContact NE-OD2 3.33Å; R283-D285 IonicContact NH2-OD2 2.71Å; R283-D285 PolarHBondContact O-N 3.19Å
284E84.5Confident92.2Very high204 Ų20459.7 Ų59.795%0.95329%0.29SS*.SBendtrans-89.538.5174.3-62-174.8172.700112
285D86Confident92.6Very high56 Ų5655.7 Ų55.730%0.29927%0.274SS..SBendtrans-110.48.5-177.169.4-1.9000113.8R283 Y287 R326R283-D285 IonicContact CZ-OD2 3.45Å; R283-D285 IonicContact NE-OD2 2.91Å; R283-D285 PolarHBondContact NE-OD2 3.33Å; R283-D285 IonicContact NH2-OD2 2.71Å; R283-D285 PolarHBondContact O-N 3.19Å; D285-Y287 VanDerWaalsContact C-N 3.34Å; D285-Y287 WeakPolarHBondContact OD1-CB 3.28Å; D285-Y287 PolarHBondContact OD1-N 3.23Å; D285-R326 IonicContact OD2-NH2 3.49Å
286G88Confident93.1Very high32 Ų3253.1 Ų53.133%0.3326%0.255SS..SBendtrans85.2-4.3-179.200000115A288 S289 Y290G286-A288 VanDerWaalsContact C-N 3.3Å; G286-A288 PolarHBondContact O-N 3.36Å; G286-S289 WeakPolarHBondContact O-CB 3.48Å; G286-S289 PolarHBondContact O-N 3.11Å; G286-Y290 WeakPolarHBondContact O-CD2 3.44Å; G286-Y290 PolarHBondContact O-N 3.09Å
287Y93Very high93.4Very high1 Ų153 Ų530%0.00425%0.254CS..Hα-helixtrans-52.6-47.8178-176.6-80.4000111.7V271 L277 A280 L281 D285 S289 Y290 Y291 M322 R326V271-Y287 HydrophobicContact CG2-CE2 3.89Å; V271-Y287 VanDerWaalsContact CG2-OH 3.25Å; V271-Y287 WeakPolarHBondContact CG2-OH 3.41Å; L277-Y287 HydrophobicContact CD1-CE1 3.85Å; A280-Y287 HydrophobicContact CB-CD1 3.79Å; A280-Y287 HydrophobicContact CB-CD2 4.29Å; A280-Y287 HydrophobicContact CB-CE1 3.77Å; A280-Y287 HydrophobicContact CB-CE2 4.25Å; A280-Y287 HydrophobicContact CB-CG 4.09Å; L281-Y287 HydrophobicContact CD2-CD1 4.09Å; L281-Y287 HydrophobicContact CD2-CE1 4.12Å; D285-Y287 VanDerWaalsContact C-N 3.34Å; D285-Y287 WeakPolarHBondContact OD1-CB 3.28Å; D285-Y287 PolarHBondContact OD1-N 3.23Å; Y287-S289 VanDerWaalsContact C-N 3.32Å; Y287-S289 PolarHBondContact O-N 3.04Å; Y287-Y290 PolarHBondContact O-N 3.48Å; Y287-Y291 WeakPolarHBondContact O-CB 3.1Å; Y287-Y291 PolarHBondContact O-N 2.94Å; Y287-M322 HydrophobicContact CD2-CE 4Å; Y287-M322 HydrophobicContact CE1-CE 4.41Å; Y287-M322 HydrophobicContact CE2-CE 3.84Å; Y287-M322 HydrophobicContact CG-CE 4.35Å; Y287-R326 HydrophobicContact CD2-CG 4.41Å; Y287-R326 HydrophobicContact CE2-CG 4.37Å
288A95.2Very high93.6Very high22 Ų2253 Ų5318%0.18225%0.254CS..Hα-helixtrans-58.6-41.1178.700000112.7L281 G286 Y291 Y292L281-A288 HydrophobicContact CD2-CB 4.07Å; G286-A288 VanDerWaalsContact C-N 3.3Å; G286-A288 PolarHBondContact O-N 3.36Å; A288-Y291 PolarHBondContact O-N 3.1Å; A288-Y292 HydrophobicContact CB-CE2 4.36Å; A288-Y292 WeakPolarHBondContact O-CD2 3.37Å; A288-Y292 PolarHBondContact O-N 3.37Å
289S94.3Very high93.9Very high58 Ų5853.7 Ų53.741%0.40626%0.255SS..Hα-helixtrans-61.2-49.7178.8-172.20000111.1G286 Y287 Y291 Y292 R293G286-S289 WeakPolarHBondContact O-CB 3.48Å; G286-S289 PolarHBondContact O-N 3.11Å; Y287-S289 VanDerWaalsContact C-N 3.32Å; Y287-S289 PolarHBondContact O-N 3.04Å; S289-Y291 VanDerWaalsContact C-N 3.35Å; S289-Y291 PolarHBondContact O-N 3.26Å; S289-Y292 PolarHBondContact O-N 2.82Å; S289-R293 VanDerWaalsContact O-CG 3.31Å; S289-R293 WeakPolarHBondContact O-CG 3.42Å; S289-R293 PolarHBondContact O-N 3.46Å
290Y94.2Very high94.2Very high58 Ų5854.7 Ų54.723%0.22726%0.257CS..Hα-helixtrans-66.3-37.5178.1-73.2-68.7000112.4G286 Y287 Y292 R293 H294 H325 I373G286-Y290 WeakPolarHBondContact O-CD2 3.44Å; G286-Y290 PolarHBondContact O-N 3.09Å; Y287-Y290 PolarHBondContact O-N 3.48Å; Y290-Y292 PolarHBondContact O-N 2.66Å; Y290-R293 WeakPolarHBondContact O-CB 3.1Å; Y290-R293 PolarHBondContact O-N 3.09Å; Y290-H294 PolarHBondContact O-N 3.12Å; Y290-H294 PolarHBondContact O-ND1 3.31Å; Y290-H325 AromaticContact CD1-CE1 3.54Å; Y290-H325 AromaticContact CD1-NE2 3.2Å; Y290-H325 WeakPolarHBondContact CD1-NE2 3.49Å; Y290-H325 AromaticContact CD2-NE2 3.58Å; Y290-H325 AromaticContact CE1-CE1 3.56Å; Y290-H325 AromaticContact CE1-NE2 3.49Å; Y290-H325 WeakPolarHBondContact CE1-NE2 3.25Å; Y290-H325 AromaticContact CE2-NE2 3.83Å; Y290-H325 AromaticContact CG-CD2 3.92Å; Y290-H325 AromaticContact CG-NE2 3.24Å; Y290-H325 AromaticContact CZ-NE2 3.78Å; Y290-I373 HydrophobicContact CE1-CG2 4.38Å
291Y96.5Very high94.4Very high10 Ų1054.7 Ų54.74%0.03926%0.257CS..Hα-helixtrans-57.3-49176.1173.6-97.2000111.7L277 L281 Y287 A288 S289 R293 H294 L295 A318 I319 M322L277-Y291 HydrophobicContact CD1-CD2 4.04Å; L277-Y291 HydrophobicContact CD1-CE2 3.94Å; L277-Y291 HydrophobicContact CD2-CE2 4.18Å; L281-Y291 HydrophobicContact CD1-CE1 4.37Å; L281-Y291 HydrophobicContact CD2-CD1 3.56Å; L281-Y291 HydrophobicContact CD2-CE1 4.22Å; L281-Y291 HydrophobicContact CD2-CG 3.73Å; Y287-Y291 WeakPolarHBondContact O-CB 3.1Å; Y287-Y291 PolarHBondContact O-N 2.94Å; A288-Y291 PolarHBondContact O-N 3.1Å; S289-Y291 VanDerWaalsContact C-N 3.35Å; S289-Y291 PolarHBondContact O-N 3.26Å; Y291-R293 VanDerWaalsContact C-N 3.31Å; Y291-R293 PolarHBondContact O-N 3.43Å; Y291-H294 PolarHBondContact O-N 3.5Å; Y291-L295 HydrophobicContact CE1-CD2 4.36Å; Y291-L295 PolarHBondContact O-N 2.71Å; Y291-A318 HydrophobicContact CD2-CB 4.42Å; Y291-A318 HydrophobicContact CE2-CB 3.87Å; Y291-I319 HydrophobicContact CE2-CG1 4.31Å; Y291-M322 HydrophobicContact CD2-CG 4.15Å; Y291-M322 PolarHBondContact N-SD 2.85Å; Y291-M322 VanDerWaalsContact N-SD 3.4Å
292Y96.8Very high94.5Very high138 Ų13853.6 Ų53.654%0.54125%0.251SS..Hα-helixtrans-67.7-29.9179.6-70.1-61.4000113.1A288 S289 Y290 L295 E296A288-Y292 HydrophobicContact CB-CE2 4.36Å; A288-Y292 WeakPolarHBondContact O-CD2 3.37Å; A288-Y292 PolarHBondContact O-N 3.37Å; S289-Y292 PolarHBondContact O-N 2.82Å; Y290-Y292 PolarHBondContact O-N 2.66Å; Y292-L295 HydrophobicContact CD1-CD2 4.18Å; Y292-L295 PolarHBondContact O-N 2.88Å; Y292-E296 PolarHBondContact O-N 3.39Å
293R96.7Very high94.6Very high64 Ų6448.1 Ų48.124%0.24224%0.244CC..Hα-helixtrans-63.3-48.1170.5-64.6173.5-170.6-169.65.7111S289 Y290 Y291 L295 E296 L297 F367 Y371S289-R293 VanDerWaalsContact O-CG 3.31Å; S289-R293 WeakPolarHBondContact O-CG 3.42Å; S289-R293 PolarHBondContact O-N 3.46Å; Y290-R293 WeakPolarHBondContact O-CB 3.1Å; Y290-R293 PolarHBondContact O-N 3.09Å; Y291-R293 VanDerWaalsContact C-N 3.31Å; Y291-R293 PolarHBondContact O-N 3.43Å; R293-L295 VanDerWaalsContact C-N 3.27Å; R293-L295 PolarHBondContact O-N 3.3Å; R293-E296 WeakPolarHBondContact O-CB 3.26Å; R293-E296 PolarHBondContact O-N 3.01Å; R293-E296 VanDerWaalsContact O-N 3.14Å; R293-L297 PolarHBondContact O-N 2.93Å; R293-F367 HydrophobicContact CB-CE2 4Å; R293-F367 HydrophobicContact CB-CZ 4.35Å; R293-F367 WeakPolarHBondContact O-CE2 3.49Å; R293-Y371 HydrophobicContact CB-CD2 4.24Å; R293-Y371 HydrophobicContact CB-CE1 4.3Å; R293-Y371 HydrophobicContact CB-CE2 3.96Å; R293-Y371 VanDerWaalsContact CD-CD1 3.43Å; R293-Y371 HydrophobicContact CG-CD1 3.88Å; R293-Y371 HydrophobicContact CG-CD2 4.41Å; R293-Y371 HydrophobicContact CG-CE1 3.51Å; R293-Y371 HydrophobicContact CG-CE2 4.07Å; R293-Y371 HydrophobicContact CG-CG 4.31Å
294H97.6Very high95Very high0 Ų048.2 Ų48.20%025%0.248CC..Hα-helixtrans-67.6-30.4178.2-68.687.6000112.1Y290 Y291 E296 L297 V298 L321 M322 H325 F367 Y383Y290-H294 PolarHBondContact O-N 3.12Å; Y290-H294 PolarHBondContact O-ND1 3.31Å; Y291-H294 PolarHBondContact O-N 3.5Å; H294-E296 VanDerWaalsContact C-N 3.35Å; H294-L297 PolarHBondContact O-N 3.35Å; H294-V298 WeakPolarHBondContact O-CG2 3.33Å; H294-V298 PolarHBondContact O-N 2.8Å; H294-L321 HydrophobicContact CB-CB 4.31Å; H294-M322 HydrophobicContact CB-CG 4.17Å; H294-M322 HydrophobicContact CB-SD 4.4Å; H294-M322 PolarHBondContact ND1-SD 2.92Å; H294-H325 AromaticContact CE1-CG 3.63Å; H294-H325 AromaticContact CE1-ND1 3.89Å; H294-F367 AromaticContact CD2-CZ 3.78Å; H294-F367 AromaticContact NE2-CE1 3.99Å; H294-F367 AromaticContact NE2-CZ 3.82Å; H294-Y383 AromaticContact NE2-CE2 3.93Å; H294-Y383 AromaticContact NE2-CZ 3.76Å; H294-Y383 PolarHBondContact NE2-OH 3.1Å
295L97.9Very high95.3Very high30 Ų3038.9 Ų38.916%0.15721%0.205CC..Hα-helixtrans-63.7-39.4170.9-171.762.4000111.6Y291 Y292 R293 V298 E299 K314 A318Y291-L295 HydrophobicContact CE1-CD2 4.36Å; Y291-L295 PolarHBondContact O-N 2.71Å; Y292-L295 HydrophobicContact CD1-CD2 4.18Å; Y292-L295 PolarHBondContact O-N 2.88Å; R293-L295 VanDerWaalsContact C-N 3.27Å; R293-L295 PolarHBondContact O-N 3.3Å; L295-V298 CarbonylContact O-C 3.58Å; L295-V298 WeakPolarHBondContact O-CB 3.31Å; L295-V298 PolarHBondContact O-N 2.79Å; L295-V298 VanDerWaalsContact O-N 3.15Å; L295-E299 WeakPolarHBondContact O-CG 3.43Å; L295-E299 PolarHBondContact O-N 3.26Å; L295-K314 HydrophobicContact CD1-CB 4.22Å; L295-A318 HydrophobicContact CB-CB 4.3Å; L295-A318 HydrophobicContact CD1-CB 4.1Å
296E97.9Very high95.2Very high43 Ų4342.1 Ų42.120%0.20122%0.222CC..Hα-helixtrans-60.4-43.9172.9-175.4-176.5-166.800111.7Y292 R293 H294 V298 E299 E300 R370 Y371Y292-E296 PolarHBondContact O-N 3.39Å; R293-E296 WeakPolarHBondContact O-CB 3.26Å; R293-E296 PolarHBondContact O-N 3.01Å; R293-E296 VanDerWaalsContact O-N 3.14Å; H294-E296 VanDerWaalsContact C-N 3.35Å; E296-V298 VanDerWaalsContact C-N 3.26Å; E296-V298 PolarHBondContact O-N 3.33Å; E296-E299 WeakPolarHBondContact O-CB 3.31Å; E296-E299 PolarHBondContact O-N 3.1Å; E296-E299 VanDerWaalsContact O-N 3.11Å; E296-E300 PolarHBondContact O-N 2.79Å; E296-R370 IonicContact OE1-CZ 2.77Å; E296-R370 IonicContact OE1-NH1 3.47Å; E296-R370 PolarHBondContact OE1-NH1 3.49Å; E296-R370 IonicContact OE1-NH2 3.8Å; E296-R370 PolarHBondContact OE1-NH2 2.75Å; E296-R370 IonicContact OE2-CZ 3.92Å; E296-R370 IonicContact OE2-NH2 3.75Å; E296-Y371 PolarHBondContact OE2-OH 2.85Å
297L98.4Very high95.2Very high0 Ų045.9 Ų45.90%023%0.23CC..Hα-helixtrans-58.7-40.4173.8172.959.9000111.7R293 H294 E299 E300 F301 L321 I363 V364 F367 Y383 L387R293-L297 PolarHBondContact O-N 2.93Å; H294-L297 PolarHBondContact O-N 3.35Å; L297-E299 VanDerWaalsContact C-N 3.34Å; L297-E300 PolarHBondContact O-N 2.78Å; L297-F301 WeakPolarHBondContact O-CB 3.11Å; L297-F301 PolarHBondContact O-N 3.14Å; L297-L321 HydrophobicContact CD2-CD1 4.13Å; L297-I363 HydrophobicContact CD1-CD1 4.19Å; L297-I363 HydrophobicContact CD1-CG1 4.26Å; L297-V364 HydrophobicContact CD1-CG2 4.18Å; L297-V364 HydrophobicContact CD2-CG2 4.48Å; L297-F367 HydrophobicContact CB-CB 4.43Å; L297-F367 HydrophobicContact CB-CD2 3.68Å; L297-F367 HydrophobicContact CB-CE2 4.03Å; L297-F367 HydrophobicContact CB-CG 3.95Å; L297-F367 HydrophobicContact CD1-CB 3.9Å; L297-F367 HydrophobicContact CD1-CG 4.22Å; L297-F367 HydrophobicContact CD2-CB 4.41Å; L297-F367 HydrophobicContact CD2-CD1 3.78Å; L297-F367 HydrophobicContact CD2-CD2 4.44Å; L297-F367 HydrophobicContact CD2-CE1 4.14Å; L297-F367 HydrophobicContact CD2-CG 3.94Å; L297-F367 HydrophobicContact CG-CB 4.47Å; L297-F367 HydrophobicContact CG-CD2 4.48Å; L297-F367 HydrophobicContact CG-CG 4.25Å; L297-Y383 HydrophobicContact CD2-CD2 4.04Å; L297-L387 HydrophobicContact CD1-CD1 4.5Å; L297-L387 HydrophobicContact CG-CD1 4.48Å
298V98.4Very high95.2Very high0 Ų049 Ų490%025%0.252CS..Hα-helixtrans-68.6-34.5177.1171.60000111.6H294 L295 E296 F301 D302 K314 L317 A318 L321 L387H294-V298 WeakPolarHBondContact O-CG2 3.33Å; H294-V298 PolarHBondContact O-N 2.8Å; L295-V298 CarbonylContact O-C 3.58Å; L295-V298 WeakPolarHBondContact O-CB 3.31Å; L295-V298 PolarHBondContact O-N 2.79Å; L295-V298 VanDerWaalsContact O-N 3.15Å; E296-V298 VanDerWaalsContact C-N 3.26Å; E296-V298 PolarHBondContact O-N 3.33Å; V298-F301 PolarHBondContact O-N 3.17Å; V298-D302 WeakPolarHBondContact O-CB 3.4Å; V298-D302 PolarHBondContact O-N 3.05Å; V298-K314 HydrophobicContact CG1-CB 3.8Å; V298-K314 HydrophobicContact CG1-CG 3.86Å; V298-L317 HydrophobicContact CG1-CB 3.99Å; V298-L317 HydrophobicContact CG1-CD1 3.98Å; V298-L317 HydrophobicContact CG2-CB 3.7Å; V298-A318 HydrophobicContact CG2-CB 4.38Å; V298-L321 HydrophobicContact CG2-CD1 3.69Å; V298-L387 HydrophobicContact CG2-CD2 4.45Å
299E97.9Very high95.2Very high99 Ų9948.9 Ų48.946%0.46325%0.248SC..Hα-helixtrans-68.4-39.9173.3-72.7174.216900112L295 E296 L297 D302 S303L295-E299 WeakPolarHBondContact O-CG 3.43Å; L295-E299 PolarHBondContact O-N 3.26Å; E296-E299 WeakPolarHBondContact O-CB 3.31Å; E296-E299 PolarHBondContact O-N 3.1Å; E296-E299 VanDerWaalsContact O-N 3.11Å; L297-E299 VanDerWaalsContact C-N 3.34Å; E299-D302 PolarHBondContact O-N 3.34Å; E299-S303 WeakPolarHBondContact O-CB 3.43Å; E299-S303 PolarHBondContact O-N 3.21Å
300E97.4Very high95.3Very high43 Ų4347.6 Ų47.620%0.20124%0.243CC..Hα-helixtrans-61.4-44.9171-73.8-171.9-154.500110.8E296 L297 S303 L304 I363 H366E296-E300 PolarHBondContact O-N 2.79Å; L297-E300 PolarHBondContact O-N 2.78Å; E300-S303 PolarHBondContact O-N 3Å; E300-S303 PolarHBondContact O-OG 3.23Å; E300-L304 PolarHBondContact O-N 2.45Å; E300-I363 HydrophobicContact CB-CD1 4.45Å; E300-H366 IonicContact OE1-CD2 3.85Å
301F97.9Very high95.4Very high0 Ų051.2 Ų51.20%027%0.267CS..Hα-helixtrans-60.9-46.1174.8179.3-116.2000112.3L297 V298 S303 L304 L305 L309 V360 I363 L387 V391L297-F301 WeakPolarHBondContact O-CB 3.11Å; L297-F301 PolarHBondContact O-N 3.14Å; V298-F301 PolarHBondContact O-N 3.17Å; F301-S303 VanDerWaalsContact C-N 3.26Å; F301-S303 PolarHBondContact O-N 3.4Å; F301-L304 WeakPolarHBondContact O-CB 3.46Å; F301-L304 PolarHBondContact O-N 3.41Å; F301-L304 VanDerWaalsContact O-N 3.12Å; F301-L305 HydrophobicContact CE1-CD1 4.22Å; F301-L305 HydrophobicContact CZ-CD1 4.5Å; F301-L305 WeakPolarHBondContact O-CG 3.36Å; F301-L309 HydrophobicContact CD1-CD1 4.22Å; F301-L309 HydrophobicContact CE1-CD1 4.31Å; F301-V360 HydrophobicContact CD2-CG1 4.28Å; F301-V360 HydrophobicContact CD2-CG2 4.09Å; F301-V360 HydrophobicContact CE2-CG1 4.25Å; F301-V360 HydrophobicContact CE2-CG2 3.67Å; F301-I363 VanDerWaalsContact CA-CD1 3.44Å; F301-I363 HydrophobicContact CB-CD1 3.61Å; F301-I363 HydrophobicContact CD2-CD1 4.07Å; F301-I363 HydrophobicContact CG-CD1 4.34Å; F301-L387 HydrophobicContact CB-CD1 4.45Å; F301-L387 HydrophobicContact CB-CD2 4.21Å; F301-L387 HydrophobicContact CD1-CB 4.47Å; F301-L387 HydrophobicContact CD1-CD2 3.88Å; F301-L387 HydrophobicContact CD2-CB 4.34Å; F301-L387 HydrophobicContact CD2-CD1 4.38Å; F301-L387 HydrophobicContact CE1-CB 4.29Å; F301-L387 HydrophobicContact CE1-CD2 4.38Å; F301-L387 HydrophobicContact CE2-CB 4.18Å; F301-L387 HydrophobicContact CG-CB 4.47Å; F301-L387 HydrophobicContact CG-CD1 4.37Å; F301-L387 HydrophobicContact CG-CD2 4Å; F301-L387 HydrophobicContact CZ-CB 4.13Å; F301-V391 HydrophobicContact CE1-CB 4.12Å; F301-V391 HydrophobicContact CE1-CG2 3.94Å; F301-V391 HydrophobicContact CZ-CB 4.39Å
302D96.8Very high95.3Very high16 Ų1655.9 Ų55.99%0.08629%0.293CS..Hα-helixtrans-58.5-38.6175.2-170.571000111.7V298 E299 L304 L305 S308 L309 K314V298-D302 WeakPolarHBondContact O-CB 3.4Å; V298-D302 PolarHBondContact O-N 3.05Å; E299-D302 PolarHBondContact O-N 3.34Å; D302-L304 PolarHBondContact O-N 3.02Å; D302-L305 WeakPolarHBondContact O-CB 3.49Å; D302-L305 PolarHBondContact O-N 3.45Å; D302-L305 VanDerWaalsContact O-O 3.12Å; D302-S308 WeakPolarHBondContact OD1-CA 3.38Å; D302-S308 PolarHBondContact OD2-OG 3.4Å; D302-L309 HydrophobicContact CB-CD1 4.46Å; D302-L309 VanDerWaalsContact OD1-CB 3.31Å; D302-L309 WeakPolarHBondContact OD1-CB 3.48Å; D302-L309 WeakPolarHBondContact OD1-CG 3.5Å; D302-L309 PolarHBondContact OD1-N 3.41Å; D302-K314 WeakPolarHBondContact OD1-CE 3.44Å; D302-K314 WeakPolarHBondContact OD2-CE 3.36Å; D302-K314 IonicContact OD2-NZ 2.8Å; D302-K314 PolarHBondContact OD2-NZ 2.91Å
303S95Very high95.2Very high90 Ų9051.9 Ų51.963%0.62928%0.278SS*.Hα-helixtrans-67.9-22.4178.780.10000113.9E299 E300 F301E299-S303 WeakPolarHBondContact O-CB 3.43Å; E299-S303 PolarHBondContact O-N 3.21Å; E300-S303 PolarHBondContact O-N 3Å; E300-S303 PolarHBondContact O-OG 3.23Å; F301-S303 VanDerWaalsContact C-N 3.26Å; F301-S303 PolarHBondContact O-N 3.4Å
304L93.9Very high95.3Very high48 Ų4850.1 Ų50.125%0.25127%0.272SS..THydrogen-bonded Turntrans-73.9-19171.9-63.2-179.7000112.2E300 F301 D302 I363 L398E300-L304 PolarHBondContact O-N 2.45Å; F301-L304 WeakPolarHBondContact O-CB 3.46Å; F301-L304 PolarHBondContact O-N 3.41Å; F301-L304 VanDerWaalsContact O-N 3.12Å; D302-L304 PolarHBondContact O-N 3.02Å; L304-I363 HydrophobicContact CD1-CD1 3.76Å; L304-I363 HydrophobicContact CD1-CG1 4.17Å; L304-I363 HydrophobicContact CD1-CG2 3.9Å; L304-I363 HydrophobicContact CD2-CG2 4.46Å; L304-I363 HydrophobicContact CG-CG2 4.39Å; L304-L398 HydrophobicContact CB-CD2 3.66Å; L304-L398 HydrophobicContact CD1-CD2 4.34Å
305L91.7Very high95.2Very high8 Ų852.2 Ų52.24%0.04228%0.282CS..SBendtrans-92.1127.9-179.7-49.2178.7000107.5F301 D302 F307 L309 L397 L398F301-L305 HydrophobicContact CE1-CD1 4.22Å; F301-L305 HydrophobicContact CZ-CD1 4.5Å; F301-L305 WeakPolarHBondContact O-CG 3.36Å; D302-L305 WeakPolarHBondContact O-CB 3.49Å; D302-L305 PolarHBondContact O-N 3.45Å; D302-L305 VanDerWaalsContact O-O 3.12Å; L305-F307 VanDerWaalsContact CB-O 3.32Å; L305-F307 WeakPolarHBondContact CB-O 3.46Å; L305-F307 PolarHBondContact O-N 2.78Å; L305-L309 HydrophobicContact CD1-CD1 4.02Å; L305-L309 HydrophobicContact CD1-CD2 3.84Å; L305-L309 HydrophobicContact CD1-CG 3.92Å; L305-L397 HydrophobicContact CB-CD1 4.44Å; L305-L397 HydrophobicContact CD1-CD1 4.49Å; L305-L397 HydrophobicContact CD2-CB 4.09Å; L305-L398 HydrophobicContact CD2-CD2 4.09Å; L305-L398 HydrophobicContact CD2-CG 3.93Å
306N84Confident95.1Very high124 Ų12454.7 Ų54.766%0.66329%0.292SS*.SBendtrans-6625.4167.4-83.9-20.1000112.9C401N306-C401 PolarHBondContact ND2-SG 2.86Å
307F88Confident95Very high111 Ų11152.7 Ų52.749%0.48728%0.283SS..SBendtrans-153.6134.2-174.3173.9-94.3000108.7L305 L397L305-F307 VanDerWaalsContact CB-O 3.32Å; L305-F307 WeakPolarHBondContact CB-O 3.46Å; L305-F307 PolarHBondContact O-N 2.78Å; F307-L397 HydrophobicContact CB-CD1 4.06Å; F307-L397 HydrophobicContact CB-CD2 4.04Å; F307-L397 HydrophobicContact CD1-CD1 4.26Å; F307-L397 HydrophobicContact CG-CD1 4.43Å
308S93.3Very high95Very high67 Ų6752.7 Ų52.747%0.46928%0.283SS..  trans-88.2128.9174.9-167.50000111.6D302 G310D302-S308 WeakPolarHBondContact OD1-CA 3.38Å; D302-S308 PolarHBondContact OD2-OG 3.4Å; S308-G310 PolarHBondContact O-N 3.22Å; S308-G310 PolarHBondContact OG-N 2.89Å
309L94.7Very high94.9Very high20 Ų2053.7 Ų53.711%0.10529%0.288CS..  trans-64.6-18.7174.3-62174.9000113.2F301 D302 L305 K313 K314 L317 V391F301-L309 HydrophobicContact CD1-CD1 4.22Å; F301-L309 HydrophobicContact CE1-CD1 4.31Å; D302-L309 HydrophobicContact CB-CD1 4.46Å; D302-L309 VanDerWaalsContact OD1-CB 3.31Å; D302-L309 WeakPolarHBondContact OD1-CB 3.48Å; D302-L309 WeakPolarHBondContact OD1-CG 3.5Å; D302-L309 PolarHBondContact OD1-N 3.41Å; L305-L309 HydrophobicContact CD1-CD1 4.02Å; L305-L309 HydrophobicContact CD1-CD2 3.84Å; L305-L309 HydrophobicContact CD1-CG 3.92Å; L309-K313 HydrophobicContact CB-CB 4.17Å; L309-K313 HydrophobicContact CB-CG 4.25Å; L309-K313 WeakPolarHBondContact O-CB 3.01Å; L309-K314 HydrophobicContact CB-CG 4.36Å; L309-L317 HydrophobicContact CD1-CD1 3.76Å; L309-V391 HydrophobicContact CD1-CG2 4.13Å; L309-V391 HydrophobicContact CD2-CG1 3.61Å; L309-V391 HydrophobicContact CD2-CG2 4.11Å
310G95.9Very high94.7Very high30 Ų3050.8 Ų50.831%0.30928%0.277SS..Hα-helixtrans74.4160.9-173.700000113.5S308 D312 K313 K314S308-G310 PolarHBondContact O-N 3.22Å; S308-G310 PolarHBondContact OG-N 2.89Å; G310-D312 PolarHBondContact O-N 3.4Å; G310-K313 PolarHBondContact O-N 2.89Å; G310-K314 WeakPolarHBondContact O-CG 3.34Å; G310-K314 PolarHBondContact O-N 3.17Å; G310-K314 VanDerWaalsContact O-N 3.11Å
311N95.9Very high94.7Very high135 Ų13548.9 Ų48.972%0.72227%0.268SS*.Hα-helixtrans-64.3-38.4-168.7-67.5-15.4000113.9K314 Q315N311-K314 PolarHBondContact O-N 3.4Å; N311-Q315 WeakPolarHBondContact O-CB 3.18Å; N311-Q315 PolarHBondContact O-N 3.04Å
312D95Very high94.5Very high108 Ų10848.9 Ų48.958%0.57827%0.268SS*.Hα-helixtrans-63-45-179.8-81.1-40.3000111.6K274 G310 Q315 E316K274-D312 IonicContact NZ-OD1 2.73Å; K274-D312 PolarHBondContact NZ-OD1 3.23Å; G310-D312 PolarHBondContact O-N 3.4Å; D312-Q315 PolarHBondContact O-N 2.86Å; D312-E316 PolarHBondContact O-N 2.97Å
313K95.8Very high94.3Very high53 Ų5349.3 Ų49.323%0.2327%0.271CS..Hα-helixtrans-70.5-36.5179.5-171.559.4176.7-179.20111.9L309 G310 Q315 E316 L317 M390L309-K313 HydrophobicContact CB-CB 4.17Å; L309-K313 HydrophobicContact CB-CG 4.25Å; L309-K313 WeakPolarHBondContact O-CB 3.01Å; G310-K313 PolarHBondContact O-N 2.89Å; K313-Q315 VanDerWaalsContact C-N 3.34Å; K313-E316 WeakPolarHBondContact CD-OE2 3.45Å; K313-E316 IonicContact NZ-OE1 2.94Å; K313-E316 PolarHBondContact NZ-OE1 2.95Å; K313-E316 IonicContact NZ-OE2 2.72Å; K313-E316 PolarHBondContact NZ-OE2 3.31Å; K313-E316 WeakPolarHBondContact O-CB 3.29Å; K313-E316 PolarHBondContact O-N 3.38Å; K313-L317 WeakPolarHBondContact O-CG 3.4Å; K313-L317 PolarHBondContact O-N 3.27Å; K313-M390 WeakPolarHBondContact CE-O 3.25Å; K313-M390 PolarHBondContact NZ-O 2.79Å
314K97.5Very high94.1Very high27 Ų2746.5 Ų46.512%0.11725%0.248CC..Hα-helixtrans-60.5-44.7173.1-70-178.9-178.5-168.50111.8L295 V298 D302 L309 G310 N311 L317 A318L295-K314 HydrophobicContact CD1-CB 4.22Å; V298-K314 HydrophobicContact CG1-CB 3.8Å; V298-K314 HydrophobicContact CG1-CG 3.86Å; D302-K314 WeakPolarHBondContact OD1-CE 3.44Å; D302-K314 WeakPolarHBondContact OD2-CE 3.36Å; D302-K314 IonicContact OD2-NZ 2.8Å; D302-K314 PolarHBondContact OD2-NZ 2.91Å; L309-K314 HydrophobicContact CB-CG 4.36Å; G310-K314 WeakPolarHBondContact O-CG 3.34Å; G310-K314 PolarHBondContact O-N 3.17Å; G310-K314 VanDerWaalsContact O-N 3.11Å; N311-K314 PolarHBondContact O-N 3.4Å; K314-L317 PolarHBondContact O-N 3.06Å; K314-A318 WeakPolarHBondContact O-CB 3.49Å; K314-A318 PolarHBondContact O-N 3.35Å
315Q96Very high93.9Very high44 Ų4444.5 Ų44.521%0.20624%0.237CC..Hα-helixtrans-61.7-44.4175.9171.1169.581.800111.5L277 N311 D312 K313 L317 A318 I319L277-Q315 HydrophobicContact CD2-CG 3.86Å; L277-Q315 VanDerWaalsContact CD2-NE2 3.28Å; N311-Q315 WeakPolarHBondContact O-CB 3.18Å; N311-Q315 PolarHBondContact O-N 3.04Å; D312-Q315 PolarHBondContact O-N 2.86Å; K313-Q315 VanDerWaalsContact C-N 3.34Å; Q315-L317 PolarHBondContact O-N 2.78Å; Q315-A318 PolarHBondContact O-N 3.19Å; Q315-I319 HydrophobicContact CG-CD1 3.95Å; Q315-I319 HydrophobicContact CG-CG1 4.49Å; Q315-I319 VanDerWaalsContact O-CG1 3.23Å; Q315-I319 WeakPolarHBondContact O-CG1 3.47Å; Q315-I319 PolarHBondContact O-N 3.32Å
316E95.2Very high93.8Very high82 Ų8247.2 Ų47.238%0.38325%0.247SC..Hα-helixtrans-57.7-47.7176.1-172-165.1138.300111.8D312 K313 I319 V320 M390D312-E316 PolarHBondContact O-N 2.97Å; K313-E316 WeakPolarHBondContact CD-OE2 3.45Å; K313-E316 IonicContact NZ-OE1 2.94Å; K313-E316 PolarHBondContact NZ-OE1 2.95Å; K313-E316 IonicContact NZ-OE2 2.72Å; K313-E316 PolarHBondContact NZ-OE2 3.31Å; K313-E316 WeakPolarHBondContact O-CB 3.29Å; K313-E316 PolarHBondContact O-N 3.38Å; E316-I319 PolarHBondContact O-N 3.5Å; E316-V320 WeakPolarHBondContact O-CG2 3.25Å; E316-V320 PolarHBondContact O-N 3.01Å; E316-M390 HydrophobicContact CG-CE 4.28Å; E316-M390 WeakPolarHBondContact OE1-CE 3.09Å
317L97.2Very high94Very high2 Ų241.9 Ų41.91%0.0122%0.218CC..Hα-helixtrans-61-45.7176.8-73.1170.5000112.2V298 L309 K313 K314 Q315 I319 V320 L321 M390 V391V298-L317 HydrophobicContact CG1-CB 3.99Å; V298-L317 HydrophobicContact CG1-CD1 3.98Å; V298-L317 HydrophobicContact CG2-CB 3.7Å; L309-L317 HydrophobicContact CD1-CD1 3.76Å; K313-L317 WeakPolarHBondContact O-CG 3.4Å; K313-L317 PolarHBondContact O-N 3.27Å; K314-L317 PolarHBondContact O-N 3.06Å; Q315-L317 PolarHBondContact O-N 2.78Å; L317-I319 VanDerWaalsContact C-N 3.3Å; L317-I319 PolarHBondContact O-N 3.18Å; L317-V320 PolarHBondContact O-N 3.2Å; L317-L321 WeakPolarHBondContact O-CG 3.45Å; L317-L321 PolarHBondContact O-N 3.05Å; L317-M390 HydrophobicContact CD2-CB 3.3Å; L317-M390 HydrophobicContact CD2-CG 4.03Å; L317-V391 HydrophobicContact CD1-CG2 3.83Å; L317-V391 HydrophobicContact CD2-CG2 4.21Å
318A97.4Very high93.9Very high0 Ų037 Ų370%020%0.197CC..Hα-helixtrans-61.6-39.1178.700000111.6Y291 L295 V298 K314 Q315 M322Y291-A318 HydrophobicContact CD2-CB 4.42Å; Y291-A318 HydrophobicContact CE2-CB 3.87Å; L295-A318 HydrophobicContact CB-CB 4.3Å; L295-A318 HydrophobicContact CD1-CB 4.1Å; V298-A318 HydrophobicContact CG2-CB 4.38Å; K314-A318 WeakPolarHBondContact O-CB 3.49Å; K314-A318 PolarHBondContact O-N 3.35Å; Q315-A318 PolarHBondContact O-N 3.19Å; A318-M322 VanDerWaalsContact O-CB 3.25Å; A318-M322 WeakPolarHBondContact O-CB 3.25Å; A318-M322 VanDerWaalsContact O-CG 3.23Å; A318-M322 WeakPolarHBondContact O-CG 3.39Å; A318-M322 PolarHBondContact O-N 3.47Å
319I95.8Very high93.4Very high21 Ų2138 Ų3811%0.10819%0.194CC..Hα-helixtrans-62.8-46.4174.4-66.7163.5000111V271 L277 Y291 Q315 E316 L317 L321 M322 N323V271-I319 HydrophobicContact CB-CG2 4.22Å; V271-I319 HydrophobicContact CG1-CG2 4.41Å; V271-I319 WeakPolarHBondContact O-CG2 3.23Å; L277-I319 HydrophobicContact CD1-CG1 4.3Å; L277-I319 HydrophobicContact CD2-CD1 3.84Å; L277-I319 HydrophobicContact CD2-CG1 4.04Å; Y291-I319 HydrophobicContact CE2-CG1 4.31Å; Q315-I319 HydrophobicContact CG-CD1 3.95Å; Q315-I319 HydrophobicContact CG-CG1 4.49Å; Q315-I319 VanDerWaalsContact O-CG1 3.23Å; Q315-I319 WeakPolarHBondContact O-CG1 3.47Å; Q315-I319 PolarHBondContact O-N 3.32Å; E316-I319 PolarHBondContact O-N 3.5Å; L317-I319 VanDerWaalsContact C-N 3.3Å; L317-I319 PolarHBondContact O-N 3.18Å; I319-L321 VanDerWaalsContact C-N 3.35Å; I319-L321 PolarHBondContact O-N 3.46Å; I319-M322 WeakPolarHBondContact O-CB 3.42Å; I319-M322 PolarHBondContact O-N 2.82Å; I319-N323 WeakPolarHBondContact O-CB 3.35Å; I319-N323 PolarHBondContact O-N 3.02Å; I319-N323 PolarHBondContact O-OD1 3.45Å
320V95.1Very high92.8Very high38 Ų3838.8 Ų38.823%0.2320%0.2CC..Hα-helixtrans-62-44-179.1169.70000111.3E316 L317 M322 N323 E324 L386 M390E316-V320 WeakPolarHBondContact O-CG2 3.25Å; E316-V320 PolarHBondContact O-N 3.01Å; L317-V320 PolarHBondContact O-N 3.2Å; V320-M322 VanDerWaalsContact C-N 3.34Å; V320-N323 PolarHBondContact O-N 3.27Å; V320-E324 PolarHBondContact O-N 2.87Å; V320-L386 HydrophobicContact CG1-CD1 4.41Å; V320-L386 HydrophobicContact CG1-CD2 3.91Å; V320-M390 HydrophobicContact CG2-CE 3.96Å
321L96.2Very high92.1Very high2 Ų244.4 Ų44.41%0.0122%0.223CC..Hα-helixtrans-63.1-40.7174.6-66.7170.1000111.8H294 L297 V298 L317 I319 E324 H325 Y383 L386 L387H294-L321 HydrophobicContact CB-CB 4.31Å; L297-L321 HydrophobicContact CD2-CD1 4.13Å; V298-L321 HydrophobicContact CG2-CD1 3.69Å; L317-L321 WeakPolarHBondContact O-CG 3.45Å; L317-L321 PolarHBondContact O-N 3.05Å; I319-L321 VanDerWaalsContact C-N 3.35Å; I319-L321 PolarHBondContact O-N 3.46Å; L321-E324 PolarHBondContact O-N 3.27Å; L321-H325 PolarHBondContact O-N 3.39Å; L321-Y383 HydrophobicContact CD2-CD1 3.64Å; L321-Y383 HydrophobicContact CD2-CD2 4.4Å; L321-Y383 HydrophobicContact CD2-CE1 4.03Å; L321-Y383 HydrophobicContact CD2-CG 3.83Å; L321-L386 HydrophobicContact CD2-CB 4.16Å; L321-L386 HydrophobicContact CD2-CD1 4.03Å; L321-L387 HydrophobicContact CD1-CD2 4.16Å
322M93.9Very high91.5Very high0 Ų038.7 Ų38.70%020%0.196CC..Hα-helixtrans-64.9-39.7176.4-84.2-61.9-63.600113.6Y287 Y291 H294 A318 I319 V320 E324 H325 R326Y287-M322 HydrophobicContact CD2-CE 4Å; Y287-M322 HydrophobicContact CE1-CE 4.41Å; Y287-M322 HydrophobicContact CE2-CE 3.84Å; Y287-M322 HydrophobicContact CG-CE 4.35Å; Y291-M322 HydrophobicContact CD2-CG 4.15Å; Y291-M322 PolarHBondContact N-SD 2.85Å; Y291-M322 VanDerWaalsContact N-SD 3.4Å; H294-M322 HydrophobicContact CB-CG 4.17Å; H294-M322 HydrophobicContact CB-SD 4.4Å; H294-M322 PolarHBondContact ND1-SD 2.92Å; A318-M322 VanDerWaalsContact O-CB 3.25Å; A318-M322 WeakPolarHBondContact O-CB 3.25Å; A318-M322 VanDerWaalsContact O-CG 3.23Å; A318-M322 WeakPolarHBondContact O-CG 3.39Å; A318-M322 PolarHBondContact O-N 3.47Å; I319-M322 WeakPolarHBondContact O-CB 3.42Å; I319-M322 PolarHBondContact O-N 2.82Å; V320-M322 VanDerWaalsContact C-N 3.34Å; M322-E324 PolarHBondContact O-N 2.93Å; M322-H325 WeakPolarHBondContact O-CB 3.23Å; M322-H325 PolarHBondContact O-N 3.48Å; M322-H325 VanDerWaalsContact O-N 3.12Å; M322-R326 HydrophobicContact CE-CG 4.2Å; M322-R326 PolarHBondContact O-N 3.42Å
323N93.6Very high91.1Very high25 Ų2535.5 Ų35.513%0.13418%0.178CC..Hα-helixtrans-63.9-34.8176.8-72.4-13.2000111.1V269 V271 I319 V320 I327V269-N323 WeakPolarHBondContact O-CA 3.25Å; V271-N323 PolarHBondContact N-OD1 2.89Å; V271-N323 PolarHBondContact O-ND2 3.31Å; I319-N323 WeakPolarHBondContact O-CB 3.35Å; I319-N323 PolarHBondContact O-N 3.02Å; I319-N323 PolarHBondContact O-OD1 3.45Å; V320-N323 PolarHBondContact O-N 3.27Å; N323-I327 VanDerWaalsContact O-CD1 3.29Å; N323-I327 WeakPolarHBondContact O-CD1 3.41Å; N323-I327 WeakPolarHBondContact O-CG1 3.43Å
324E90Very high90.7Very high31 Ų3133.5 Ų33.515%0.14517%0.169CC..Hα-helixtrans-72.7-38.5172.4-68.4-93.316700110.7V320 L321 M322 Y328 R342 N382 Y383 L386V320-E324 PolarHBondContact O-N 2.87Å; L321-E324 PolarHBondContact O-N 3.27Å; M322-E324 PolarHBondContact O-N 2.93Å; E324-Y328 WeakPolarHBondContact O-CD2 3.37Å; E324-R342 VanDerWaalsContact CD-NH1 3.33Å; E324-R342 IonicContact OE1-CZ 2.74Å; E324-R342 IonicContact OE1-NH1 2.6Å; E324-R342 PolarHBondContact OE1-NH1 2.8Å; E324-R342 IonicContact OE1-NH2 2.71Å; E324-R342 PolarHBondContact OE1-NH2 3.22Å; E324-R342 IonicContact OE2-NH1 2.72Å; E324-R342 PolarHBondContact OE2-NH1 3.37Å; E324-N382 PolarHBondContact OE2-ND2 3.01Å; E324-Y383 HydrophobicContact CB-CE1 4.41Å; E324-L386 HydrophobicContact CB-CD1 4.36Å; E324-L386 HydrophobicContact CG-CD1 3.74Å
325H90.3Very high90.4Very high7 Ų732.2 Ų32.23%0.03216%0.164CC..Hα-helixtrans-60.7-53176173.974000112.4Y290 H294 L321 M322 I327 Y328 Y374Y290-H325 AromaticContact CD1-CE1 3.54Å; Y290-H325 AromaticContact CD1-NE2 3.2Å; Y290-H325 WeakPolarHBondContact CD1-NE2 3.49Å; Y290-H325 AromaticContact CD2-NE2 3.58Å; Y290-H325 AromaticContact CE1-CE1 3.56Å; Y290-H325 AromaticContact CE1-NE2 3.49Å; Y290-H325 WeakPolarHBondContact CE1-NE2 3.25Å; Y290-H325 AromaticContact CE2-NE2 3.83Å; Y290-H325 AromaticContact CG-CD2 3.92Å; Y290-H325 AromaticContact CG-NE2 3.24Å; Y290-H325 AromaticContact CZ-NE2 3.78Å; H294-H325 AromaticContact CE1-CG 3.63Å; H294-H325 AromaticContact CE1-ND1 3.89Å; L321-H325 PolarHBondContact O-N 3.39Å; M322-H325 WeakPolarHBondContact O-CB 3.23Å; M322-H325 PolarHBondContact O-N 3.48Å; M322-H325 VanDerWaalsContact O-N 3.12Å; H325-I327 PolarHBondContact O-N 2.84Å; H325-Y328 PolarHBondContact O-N 3.4Å; H325-Y374 VanDerWaalsContact C-OH 3.24Å; H325-Y374 WeakPolarHBondContact CA-OH 3.25Å; H325-Y374 HydrophobicContact CB-CE2 4.14Å; H325-Y374 PolarHBondContact CE1-OH 2.7Å; H325-Y374 VanDerWaalsContact CG-OH 3.32Å; H325-Y374 AromaticContact ND1-CE2 3.23Å; H325-Y374 WeakPolarHBondContact ND1-CE2 3.4Å; H325-Y374 AromaticContact ND1-CZ 3.31Å; H325-Y374 VanDerWaalsContact ND1-CZ 3.31Å; H325-Y374 PolarHBondContact ND1-OH 2.71Å; H325-Y374 PolarHBondContact O-OH 3.08Å
326R89Confident90.1Very high64 Ų6430.9 Ų30.924%0.24216%0.158CC..THydrogen-bonded Turntrans-64.1-15.4-173-72.9-74.6-77-174.6-8.3114.9A267 V269 D285 Y287 M322A267-R326 PolarHBondContact O-NH2 2.94Å; V269-R326 HydrophobicContact CB-CB 4.32Å; V269-R326 HydrophobicContact CG1-CB 4.13Å; V269-R326 HydrophobicContact CG2-CB 4.44Å; D285-R326 IonicContact OD2-NH2 3.49Å; Y287-R326 HydrophobicContact CD2-CG 4.41Å; Y287-R326 HydrophobicContact CE2-CG 4.37Å; M322-R326 HydrophobicContact CE-CG 4.2Å; M322-R326 PolarHBondContact O-N 3.42Å
327I87.6Confident90Very high12 Ų1227 Ų276%0.06214%0.14CC..THydrogen-bonded Turntrans-75.6-31.3176.1-69.8168.6000111.6H153 V269 N323 H325H153-I327 HydrophobicContact CB-CG2 3.88Å; H153-I327 WeakPolarHBondContact ND1-CG2 3.04Å; V269-I327 HydrophobicContact CG1-CG1 3.57Å; N323-I327 VanDerWaalsContact O-CD1 3.29Å; N323-I327 WeakPolarHBondContact O-CD1 3.41Å; N323-I327 WeakPolarHBondContact O-CG1 3.43Å; H325-I327 PolarHBondContact O-N 2.84Å
328Y86.4Confident89.8Confident10 Ų1026.9 Ų26.94%0.03914%0.14CC..SBendtrans-119138.4-171.3-55.4-81.2000111.3H153 R157 E324 H325 L334 I335 Y374 F379H153-Y328 AromaticContact NE2-CZ 3.84Å; H153-Y328 PolarHBondContact NE2-OH 3.32Å; H153-Y328 VanDerWaalsContact NE2-OH 3.11Å; R157-Y328 PolarHBondContact NH1-OH 3.08Å; E324-Y328 WeakPolarHBondContact O-CD2 3.37Å; H325-Y328 PolarHBondContact O-N 3.4Å; Y328-L334 HydrophobicContact CD2-CD1 4.4Å; Y328-L334 HydrophobicContact CE1-CD1 4.32Å; Y328-L334 HydrophobicContact CE2-CD1 3.7Å; Y328-I335 HydrophobicContact CE1-CB 4.14Å; Y328-I335 HydrophobicContact CE1-CD1 3.98Å; Y328-I335 HydrophobicContact CE1-CG1 3.82Å; Y328-Y374 PolarHBondContact O-OH 3.2Å; Y328-F379 HydrophobicContact CD1-CE1 4.45Å; Y328-F379 HydrophobicContact CD1-CZ 4.26Å; Y328-F379 AromaticContact CD2-CE1 3.71Å; Y328-F379 HydrophobicContact CD2-CE1 3.71Å; Y328-F379 HydrophobicContact CD2-CZ 4.29Å; Y328-F379 HydrophobicContact CE2-CE1 4.27Å; Y328-F379 AromaticContact CG-CE1 3.81Å; Y328-F379 HydrophobicContact CG-CE1 3.81Å; Y328-F379 AromaticContact CG-CZ 3.91Å; Y328-F379 HydrophobicContact CG-CZ 3.91Å
329E82.5Confident89.2Confident88 Ų8828.6 Ų28.641%0.41115%0.147SC..  trans-59.9143.1169.3-61.1-59.3160.100110.8N147 D331 G332 Y374N147-E329 PolarHBondContact ND2-OE1 3.47Å; E329-D331 PolarHBondContact O-N 3.48Å; E329-D331 VanDerWaalsContact O-N 3.11Å; E329-G332 WeakPolarHBondContact O-CA 3.21Å; E329-G332 PolarHBondContact O-N 2.96Å; E329-Y374 VanDerWaalsContact O-CE1 3.27Å; E329-Y374 WeakPolarHBondContact O-CE1 3.46Å
330P81.8Confident88.4Confident35 Ų3530.4 Ų30.423%0.22715%0.153CC..THydrogen-bonded Turntrans-54.9-29.1-178.9-28.736000115.5I373 Y374P330-I373 HydrophobicContact CB-CB 4.23Å; P330-I373 HydrophobicContact CB-CG2 3.9Å; P330-Y374 PolarHBondContact O-N 3.46Å
331D82.3Confident87.7Confident148 Ų14833.9 Ų33.979%0.79117%0.166SC*.THydrogen-bonded Turntrans-100.33.3175.466.3-25.5000113.3E329E329-D331 PolarHBondContact O-N 3.48Å; E329-D331 VanDerWaalsContact O-N 3.11Å
332G82.8Confident87.4Confident16 Ų1637.3 Ų37.317%0.16518%0.179CC..SBendtrans-74.1-175.2-178.800000113.5E329 F379E329-G332 WeakPolarHBondContact O-CA 3.21Å; E329-G332 PolarHBondContact O-N 2.96Å; G332-F379 WeakPolarHBondContact O-CE2 3.17Å
333Q86.3Confident87Confident40 Ų4040.8 Ų40.819%0.18719%0.192CC..  trans-117.8145.9177.4-54.3-159.3-29.900111.8M1 K132 T133 E376M1-Q333 HydrophobicContact CB-CB 4.43Å; K132-Q333 HydrophobicContact CB-CG 4.49Å; K132-Q333 VanDerWaalsContact CB-OE1 3.25Å; T133-Q333 HydrophobicContact CG2-CB 3.91Å; T133-Q333 HydrophobicContact CG2-CG 4.47Å; Q333-E376 VanDerWaalsContact CA-OE2 3.27Å; Q333-E376 WeakPolarHBondContact CA-OE2 3.2Å; Q333-E376 WeakPolarHBondContact CB-OE2 3.36Å; Q333-E376 VanDerWaalsContact CG-CD 3.46Å; Q333-E376 WeakPolarHBondContact CG-OE1 3.4Å; Q333-E376 WeakPolarHBondContact CG-OE2 3.29Å; Q333-E376 PolarHBondContact NE2-OE1 3.26Å
334L88.5Confident86.6Confident11 Ų1143.6 Ų43.66%0.05821%0.206CC..  trans-64.5138.1173.1-16676.3000109.7M1 Y328 D378 F379M1-L334 PolarHBondContact N-O 3.04Å; Y328-L334 HydrophobicContact CD2-CD1 4.4Å; Y328-L334 HydrophobicContact CE1-CD1 4.32Å; Y328-L334 HydrophobicContact CE2-CD1 3.7Å; L334-D378 HydrophobicContact CB-CB 4.29Å; L334-D378 HydrophobicContact CD2-CB 3.98Å; L334-F379 HydrophobicContact CB-CD1 4.39Å; L334-F379 HydrophobicContact CB-CD2 4.42Å; L334-F379 HydrophobicContact CB-CE1 4.12Å; L334-F379 HydrophobicContact CB-CE2 4.16Å; L334-F379 HydrophobicContact CB-CZ 4Å; L334-F379 HydrophobicContact CD1-CD1 3.84Å; L334-F379 HydrophobicContact CD1-CE1 3.63Å; L334-F379 HydrophobicContact CD1-CZ 4.3Å; L334-F379 VanDerWaalsContact N-CE2 3.26Å; L334-F379 VanDerWaalsContact N-CZ 3.29Å
335I90.6Very high86.7Confident0 Ų046.1 Ų46.10%022%0.217CC..  trans-93.5110.1-178.3-62.8169.2000110.2M1 F3 V150 M154 R157 Y328 I337M1-I335 HydrophobicContact CE-CB 4.14Å; M1-I335 HydrophobicContact CE-CD1 3.97Å; M1-I335 HydrophobicContact CE-CG1 3.54Å; M1-I335 HydrophobicContact CE-CG2 3.67Å; F3-I335 HydrophobicContact CE2-CG2 4.4Å; V150-I335 HydrophobicContact CG1-CD1 3.81Å; M154-I335 HydrophobicContact CB-CD1 4.04Å; M154-I335 HydrophobicContact CB-CG2 4.31Å; M154-I335 HydrophobicContact CG-CG2 4.3Å; R157-I335 VanDerWaalsContact CZ-O 3.28Å; R157-I335 PolarHBondContact NH1-O 3.23Å; R157-I335 VanDerWaalsContact NH1-O 3.16Å; R157-I335 PolarHBondContact NH2-O 3.27Å; Y328-I335 HydrophobicContact CE1-CB 4.14Å; Y328-I335 HydrophobicContact CE1-CD1 3.98Å; Y328-I335 HydrophobicContact CE1-CG1 3.82Å; I335-I337 HydrophobicContact CG2-CD1 4.25Å
336D89.7Confident86.8Confident16 Ų1645.8 Ų45.89%0.08622%0.215CC..BIsolated β-bridgetrans-115.6127.7171.8-80-17.7000110.9M1 F3 R157 R340M1-D336 PolarHBondContact O-N 3.5Å; F3-D336 WeakPolarHBondContact CD2-O 3.45Å; F3-D336 PolarHBondContact N-O 3.34Å; R157-D336 IonicContact NH2-OD1 2.78Å; D336-R340 IonicContact OD2-NE 3.89Å
337I93.4Very high86.9Confident1 Ų146.4 Ų46.41%0.00522%0.224CC..SBendtrans-83-85.4176.8-50.1-62000109.2F3 R4 I85 F91 R157 E161 I335F3-I337 CarbonylContact C-O 3.54Å; F3-I337 HydrophobicContact CB-CG2 4.5Å; F3-I337 WeakPolarHBondContact CB-O 3.42Å; F3-I337 HydrophobicContact CD2-CD1 3.48Å; F3-I337 VanDerWaalsContact CD2-CD1 3.48Å; F3-I337 HydrophobicContact CE2-CD1 3.65Å; F3-I337 HydrophobicContact CG-CD1 4.31Å; R4-I337 PolarHBondContact N-O 3.13Å; I85-I337 HydrophobicContact CD1-CG2 3.87Å; I85-I337 HydrophobicContact CG1-CG2 4.44Å; F91-I337 HydrophobicContact CE1-CG2 3.65Å; F91-I337 HydrophobicContact CZ-CG2 3.93Å; R157-I337 HydrophobicContact CB-CD1 4.18Å; R157-I337 HydrophobicContact CB-CG1 3.84Å; E161-I337 WeakPolarHBondContact OE1-CB 3.43Å; E161-I337 WeakPolarHBondContact OE2-CB 3.26Å; I335-I337 HydrophobicContact CG2-CD1 4.25Å
338L92.7Very high86.9Confident0 Ų051.7 Ų51.70%025%0.246CC..SBendtrans-123.6-37.7171.6-64.7-177.2000111.7R4 L7 L15 Y81 T84 I85 F91 E161R4-L338 HydrophobicContact CG-CD2 3.82Å; R4-L338 PolarHBondContact NE-O 3.42Å; R4-L338 PolarHBondContact NH2-O 2.9Å; L7-L338 HydrophobicContact CD1-CD2 3.68Å; L7-L338 HydrophobicContact CG-CD2 4.35Å; L15-L338 HydrophobicContact CD2-CD1 4.26Å; L15-L338 HydrophobicContact CD2-CD2 4.07Å; Y81-L338 HydrophobicContact CD1-CB 3.73Å; Y81-L338 HydrophobicContact CD1-CD1 4.45Å; Y81-L338 HydrophobicContact CE1-CB 4.43Å; Y81-L338 HydrophobicContact CG-CB 4.39Å; T84-L338 HydrophobicContact CG2-CD1 3.69Å; I85-L338 HydrophobicContact CD1-CD1 4.28Å; I85-L338 HydrophobicContact CG1-CD1 3.72Å; I85-L338 HydrophobicContact CG1-CG 4.31Å; F91-L338 HydrophobicContact CE2-CD1 3.87Å; F91-L338 HydrophobicContact CE2-CD2 3.83Å; F91-L338 HydrophobicContact CE2-CG 3.93Å; F91-L338 HydrophobicContact CZ-CD1 4.24Å; F91-L338 HydrophobicContact CZ-CD2 3.74Å; F91-L338 HydrophobicContact CZ-CG 3.81Å; E161-L338 WeakPolarHBondContact OE2-CA 3.35Å; E161-L338 PolarHBondContact OE2-N 3.41Å
339F83.8Confident87.1Confident35 Ų3552.1 Ų52.115%0.15425%0.249CC..  trans-85.3117.7-171.1-173.2-144.1000112.7N78 Y81 E161 Q341N78-F339 WeakPolarHBondContact OD1-CE1 3.38Å; N78-F339 WeakPolarHBondContact OD1-CZ 3.49Å; Y81-F339 HydrophobicContact CD2-CB 3.89Å; Y81-F339 AromaticContact CD2-CD2 3.79Å; Y81-F339 HydrophobicContact CD2-CD2 3.79Å; Y81-F339 HydrophobicContact CD2-CE2 4.49Å; Y81-F339 AromaticContact CD2-CG 3.93Å; Y81-F339 HydrophobicContact CD2-CG 3.93Å; Y81-F339 HydrophobicContact CE2-CB 4.06Å; Y81-F339 AromaticContact CE2-CD2 3.16Å; Y81-F339 HydrophobicContact CE2-CD2 3.16Å; Y81-F339 AromaticContact CE2-CE2 3.72Å; Y81-F339 HydrophobicContact CE2-CE2 3.72Å; Y81-F339 AromaticContact CE2-CG 3.8Å; Y81-F339 HydrophobicContact CE2-CG 3.8Å; Y81-F339 HydrophobicContact CG-CB 4.26Å; Y81-F339 AromaticContact CZ-CD2 3.69Å; E161-F339 HydrophobicContact CG-CB 4.25Å; E161-F339 WeakPolarHBondContact OE2-CB 3.48Å; E161-F339 PolarHBondContact OE2-N 3.35Å; F339-Q341 HydrophobicContact CD1-CB 4.1Å; F339-Q341 HydrophobicContact CD2-CB 4.41Å; F339-Q341 HydrophobicContact CE1-CB 3.55Å; F339-Q341 HydrophobicContact CE1-CG 3.88Å; F339-Q341 HydrophobicContact CE2-CB 3.89Å; F339-Q341 HydrophobicContact CE2-CG 4.17Å; F339-Q341 HydrophobicContact CZ-CB 3.45Å; F339-Q341 VanDerWaalsContact CZ-CB 3.45Å; F339-Q341 VanDerWaalsContact CZ-CD 3.46Å; F339-Q341 HydrophobicContact CZ-CG 3.47Å; F339-Q341 VanDerWaalsContact CZ-CG 3.47Å
340R80.9Confident87.5Confident60 Ų6049 Ų4923%0.22624%0.237CC..  trans-106.853-179.5-64.9-170.1-179.5-176.90113.1N2 D336 R342 R343 I344N2-R340 PolarHBondContact ND2-NH2 3.24Å; N2-R340 PolarHBondContact OD1-NH2 3.48Å; N2-R340 VanDerWaalsContact OD1-NH2 3.07Å; D336-R340 IonicContact OD2-NE 3.89Å; R340-R342 VanDerWaalsContact C-N 3.33Å; R340-R342 PolarHBondContact O-N 2.62Å; R340-R343 PolarHBondContact O-N 3.29Å; R340-I344 HydrophobicContact CB-CD1 4.39Å; R340-I344 VanDerWaalsContact O-CG1 3.31Å; R340-I344 WeakPolarHBondContact O-CG1 3.3Å; R340-I344 PolarHBondContact O-N 3.07Å; R340-I344 VanDerWaalsContact O-N 3.11Å
341Q78.6Confident87.7Confident111 Ų11151.7 Ų51.752%0.51925%0.246SC..Hα-helixtrans-59.5-40.9-171.4-161.3173.617.100113.6F339 F345F339-Q341 HydrophobicContact CD1-CB 4.1Å; F339-Q341 HydrophobicContact CD2-CB 4.41Å; F339-Q341 HydrophobicContact CE1-CB 3.55Å; F339-Q341 HydrophobicContact CE1-CG 3.88Å; F339-Q341 HydrophobicContact CE2-CB 3.89Å; F339-Q341 HydrophobicContact CE2-CG 4.17Å; F339-Q341 HydrophobicContact CZ-CB 3.45Å; F339-Q341 VanDerWaalsContact CZ-CB 3.45Å; F339-Q341 VanDerWaalsContact CZ-CD 3.46Å; F339-Q341 HydrophobicContact CZ-CG 3.47Å; F339-Q341 VanDerWaalsContact CZ-CG 3.47Å; Q341-F345 WeakPolarHBondContact O-CB 3.43Å; Q341-F345 PolarHBondContact O-N 2.93Å
342R89.9Confident87.8Confident73 Ų7346.7 Ų46.728%0.27522%0.221SC..Hα-helixtrans-65-46-175.4-64.4-174.9172.5162.4-5.9111.5E324 R340 F345 L346 N382 Y385E324-R342 VanDerWaalsContact CD-NH1 3.33Å; E324-R342 IonicContact OE1-CZ 2.74Å; E324-R342 IonicContact OE1-NH1 2.6Å; E324-R342 PolarHBondContact OE1-NH1 2.8Å; E324-R342 IonicContact OE1-NH2 2.71Å; E324-R342 PolarHBondContact OE1-NH2 3.22Å; E324-R342 IonicContact OE2-NH1 2.72Å; E324-R342 PolarHBondContact OE2-NH1 3.37Å; R340-R342 VanDerWaalsContact C-N 3.33Å; R340-R342 PolarHBondContact O-N 2.62Å; R342-F345 PolarHBondContact O-N 2.66Å; R342-L346 WeakPolarHBondContact O-CG 3.39Å; R342-L346 PolarHBondContact O-N 2.92Å; R342-L346 VanDerWaalsContact O-N 3.09Å; R342-N382 WeakPolarHBondContact CD-OD1 3.43Å; R342-N382 PolarHBondContact NH1-OD1 3.32Å; R342-Y385 HydrophobicContact CB-CD1 4.25Å; R342-Y385 HydrophobicContact CB-CD2 3.88Å; R342-Y385 HydrophobicContact CB-CE2 4.36Å; R342-Y385 HydrophobicContact CB-CG 3.82Å; R342-Y385 HydrophobicContact CG-CD1 3.63Å; R342-Y385 HydrophobicContact CG-CD2 3.93Å; R342-Y385 HydrophobicContact CG-CE1 3.76Å; R342-Y385 HydrophobicContact CG-CE2 4.05Å; R342-Y385 HydrophobicContact CG-CG 3.72Å
343R86.7Confident88.1Confident73 Ų7347.5 Ų47.528%0.27522%0.221SC..Hα-helixtrans-66-50.1176.6-171.9170.8-176.2151.66.4111.9R340 F345 L346 D347 E377 D378R340-R343 PolarHBondContact O-N 3.29Å; R343-F345 PolarHBondContact O-N 2.9Å; R343-L346 PolarHBondContact O-N 3.31Å; R343-D347 VanDerWaalsContact O-CG 3.26Å; R343-D347 PolarHBondContact O-N 3.03Å; R343-E377 IonicContact CZ-OE2 2.79Å; R343-E377 IonicContact NH1-OE2 3.05Å; R343-E377 IonicContact NH2-OE2 3.55Å; R343-E377 PolarHBondContact NH2-OE2 3.36Å; R343-D378 IonicContact NH1-OD1 3.1Å; R343-D378 PolarHBondContact NH1-OD1 3.08Å
344I85.2Confident88.2Confident84 Ų8447.7 Ų47.743%0.43122%0.223SC..Hα-helixtrans-58.4-39.6177.9-65.5167.5000111.3R340 K348R340-I344 HydrophobicContact CB-CD1 4.39Å; R340-I344 VanDerWaalsContact O-CG1 3.31Å; R340-I344 WeakPolarHBondContact O-CG1 3.3Å; R340-I344 PolarHBondContact O-N 3.07Å; R340-I344 VanDerWaalsContact O-N 3.11Å; I344-K348 WeakPolarHBondContact O-CB 3.45Å; I344-K348 PolarHBondContact O-N 3.29Å
345F90.9Very high88.1Confident85 Ų8549.2 Ų49.237%0.37323%0.23SC..Hα-helixtrans-60.4-47.7175.5174.3-89.2000111.2Q341 R342 R343 K348 L349 Y385 T389Q341-F345 WeakPolarHBondContact O-CB 3.43Å; Q341-F345 PolarHBondContact O-N 2.93Å; R342-F345 PolarHBondContact O-N 2.66Å; R343-F345 PolarHBondContact O-N 2.9Å; F345-K348 PolarHBondContact O-N 2.64Å; F345-L349 HydrophobicContact CE1-CD2 3.9Å; F345-L349 HydrophobicContact CZ-CD2 4.41Å; F345-L349 VanDerWaalsContact O-CB 3.23Å; F345-L349 WeakPolarHBondContact O-CB 3.39Å; F345-L349 PolarHBondContact O-N 3.31Å; F345-Y385 HydrophobicContact CB-CD2 4.44Å; F345-Y385 HydrophobicContact CB-CE2 4.27Å; F345-Y385 AromaticContact CD1-CD2 3.66Å; F345-Y385 HydrophobicContact CD1-CD2 3.66Å; F345-Y385 AromaticContact CD1-CE2 3.77Å; F345-Y385 HydrophobicContact CD1-CE2 3.77Å; F345-Y385 HydrophobicContact CE1-CD2 4.24Å; F345-Y385 HydrophobicContact CE1-CE2 4.27Å; F345-Y385 HydrophobicContact CG-CD2 4.24Å; F345-Y385 AromaticContact CG-CE2 3.99Å; F345-Y385 HydrophobicContact CG-CE2 3.99Å; F345-T389 HydrophobicContact CE1-CG2 3.79Å; F345-T389 HydrophobicContact CZ-CG2 3.98Å
346L94Very high88.2Confident0 Ų049.3 Ų49.30%023%0.23CC..Hα-helixtrans-70.6-36.3179.9-69.7-178.9000113R342 R343 K348 L349 S350 W381 V384 I388R342-L346 WeakPolarHBondContact O-CG 3.39Å; R342-L346 PolarHBondContact O-N 2.92Å; R342-L346 VanDerWaalsContact O-N 3.09Å; R343-L346 PolarHBondContact O-N 3.31Å; L346-K348 VanDerWaalsContact C-N 3.32Å; L346-K348 PolarHBondContact O-N 3.37Å; L346-L349 HydrophobicContact CD2-CD2 4.15Å; L346-L349 PolarHBondContact O-N 3.41Å; L346-S350 WeakPolarHBondContact O-CB 3.14Å; L346-S350 PolarHBondContact O-N 2.83Å; L346-S350 PolarHBondContact O-OG 3.49Å; L346-W381 HydrophobicContact CB-CE3 4.24Å; L346-W381 HydrophobicContact CB-CZ3 4.32Å; L346-W381 HydrophobicContact CD1-CB 4.42Å; L346-W381 HydrophobicContact CD1-CD2 4.5Å; L346-W381 HydrophobicContact CD1-CE3 3.56Å; L346-W381 HydrophobicContact CD1-CZ3 4.21Å; L346-W381 VanDerWaalsContact CD1-O 3.25Å; L346-W381 WeakPolarHBondContact CD1-O 2.92Å; L346-V384 HydrophobicContact CD1-CB 3.93Å; L346-V384 HydrophobicContact CD1-CG1 3.76Å; L346-V384 HydrophobicContact CD2-CG1 4.1Å; L346-I388 HydrophobicContact CD2-CD1 4.11Å
347D89.8Confident88.4Confident77 Ų7748.6 Ų48.641%0.41223%0.227SC..Hα-helixtrans-59.6-47.2173.1-66.2-26.2000109.7R343 S350 E351R343-D347 VanDerWaalsContact O-CG 3.26Å; R343-D347 PolarHBondContact O-N 3.03Å; D347-S350 PolarHBondContact O-N 3.5Å; D347-E351 PolarHBondContact O-N 3.41Å
348K87.8Confident88.4Confident122 Ų12253.7 Ų53.753%0.5325%0.249SC..Hα-helixtrans-67.6-38177.8-170.551.1165.31800112.7I344 F345 L346 S350 E351I344-K348 WeakPolarHBondContact O-CB 3.45Å; I344-K348 PolarHBondContact O-N 3.29Å; F345-K348 PolarHBondContact O-N 2.64Å; L346-K348 VanDerWaalsContact C-N 3.32Å; L346-K348 PolarHBondContact O-N 3.37Å; K348-S350 VanDerWaalsContact C-N 3.28Å; K348-S350 PolarHBondContact O-N 3.32Å; K348-E351 VanDerWaalsContact CD-CD 3.45Å; K348-E351 HydrophobicContact CD-CG 4.34Å; K348-E351 WeakPolarHBondContact CD-OE1 3.35Å; K348-E351 IonicContact NZ-OE1 2.67Å; K348-E351 PolarHBondContact NZ-OE1 2.98Å; K348-E351 IonicContact NZ-OE2 2.7Å; K348-E351 PolarHBondContact NZ-OE2 2.9Å; K348-E351 WeakPolarHBondContact O-CB 3.22Å; K348-E351 PolarHBondContact O-N 2.59Å
349L91.2Very high88.5Confident20 Ų2056.1 Ų56.111%0.10526%0.259CS..Hα-helixtrans-64.9-37.2176.1-17562.9000111F345 L346 E351 T352 H353 V357 I388 L395F345-L349 HydrophobicContact CE1-CD2 3.9Å; F345-L349 HydrophobicContact CZ-CD2 4.41Å; F345-L349 VanDerWaalsContact O-CB 3.23Å; F345-L349 WeakPolarHBondContact O-CB 3.39Å; F345-L349 PolarHBondContact O-N 3.31Å; L346-L349 HydrophobicContact CD2-CD2 4.15Å; L346-L349 PolarHBondContact O-N 3.41Å; L349-E351 PolarHBondContact O-N 2.92Å; L349-T352 PolarHBondContact O-N 2.69Å; L349-T352 VanDerWaalsContact O-N 3.14Å; L349-T352 PolarHBondContact O-OG1 3.28Å; L349-H353 HydrophobicContact CD1-CB 4.13Å; L349-H353 HydrophobicContact CG-CB 4.2Å; L349-H353 PolarHBondContact O-N 3.24Å; L349-V357 HydrophobicContact CD2-CG2 4Å; L349-V357 HydrophobicContact CG-CG2 4.04Å; L349-I388 HydrophobicContact CD2-CD1 4.24Å; L349-I388 HydrophobicContact CD2-CG2 3.84Å; L349-L395 HydrophobicContact CD1-CD1 3.82Å; L349-L395 HydrophobicContact CD2-CD1 4.25Å; L349-L395 HydrophobicContact CD2-CD2 4.2Å
350S91.1Very high89.1Confident23 Ų2354.4 Ų54.416%0.16125%0.252CS..Hα-helixtrans-65.9-22.6178.5-56.50000112.7L346 D347 K348 T352 D354L346-S350 WeakPolarHBondContact O-CB 3.14Å; L346-S350 PolarHBondContact O-N 2.83Å; L346-S350 PolarHBondContact O-OG 3.49Å; D347-S350 PolarHBondContact O-N 3.5Å; K348-S350 VanDerWaalsContact C-N 3.28Å; K348-S350 PolarHBondContact O-N 3.32Å; S350-T352 PolarHBondContact O-N 2.82Å; S350-D354 WeakPolarHBondContact O-CA 3.33Å; S350-D354 WeakPolarHBondContact O-CB 3.39Å; S350-D354 PolarHBondContact O-N 3.26Å
351E85.1Confident89.9Confident90 Ų9053.7 Ų53.742%0.42125%0.25SS..Hα-helixtrans-61.6-25.7173.5-64.3-179.1-156.400113.2D347 K348 L349D347-E351 PolarHBondContact O-N 3.41Å; K348-E351 VanDerWaalsContact CD-CD 3.45Å; K348-E351 HydrophobicContact CD-CG 4.34Å; K348-E351 WeakPolarHBondContact CD-OE1 3.35Å; K348-E351 IonicContact NZ-OE1 2.67Å; K348-E351 PolarHBondContact NZ-OE1 2.98Å; K348-E351 IonicContact NZ-OE2 2.7Å; K348-E351 PolarHBondContact NZ-OE2 2.9Å; K348-E351 WeakPolarHBondContact O-CB 3.22Å; K348-E351 PolarHBondContact O-N 2.59Å; L349-E351 PolarHBondContact O-N 2.92Å
352T84.3Confident90.8Very high43 Ų4356 Ų5626%0.26426%0.259SS..Hα-helixtrans-119.5-29.8-176.9490000112.9L349 S350 Q489 S493L349-T352 PolarHBondContact O-N 2.69Å; L349-T352 VanDerWaalsContact O-N 3.14Å; L349-T352 PolarHBondContact O-OG1 3.28Å; S350-T352 PolarHBondContact O-N 2.82Å; T352-Q489 HydrophobicContact CG2-CG 3.88Å; T352-Q489 PolarHBondContact O-NE2 3.21Å; T352-S493 PolarHBondContact O-OG 3.16Å
353H89.6Confident91.1Very high34 Ų3453.3 Ų53.316%0.15725%0.25CC..Hα-helixtrans-123.531-174-56.573.1000112.4L349 Q355 A356 V357 L395 Y430L349-H353 HydrophobicContact CD1-CB 4.13Å; L349-H353 HydrophobicContact CG-CB 4.2Å; L349-H353 PolarHBondContact O-N 3.24Å; H353-Q355 VanDerWaalsContact C-N 3.29Å; H353-Q355 PolarHBondContact O-N 3.47Å; H353-Q355 VanDerWaalsContact O-N 3.15Å; H353-A356 HydrophobicContact CB-CB 4.44Å; H353-A356 PolarHBondContact O-N 3.45Å; H353-V357 PolarHBondContact O-N 3.33Å; H353-V357 VanDerWaalsContact O-N 3.08Å; H353-L395 HydrophobicContact CB-CD2 4.26Å; H353-Y430 HydrophobicContact CB-CE1 4.12Å; H353-Y430 AromaticContact CD2-CD1 3.5Å; H353-Y430 AromaticContact CD2-CD2 3.47Å; H353-Y430 VanDerWaalsContact CD2-CD2 3.47Å; H353-Y430 WeakPolarHBondContact CD2-CD2 3.45Å; H353-Y430 AromaticContact CD2-CE1 3.42Å; H353-Y430 VanDerWaalsContact CD2-CE1 3.42Å; H353-Y430 WeakPolarHBondContact CD2-CE1 3.47Å; H353-Y430 AromaticContact CD2-CE2 3.38Å; H353-Y430 WeakPolarHBondContact CD2-CE2 3.25Å; H353-Y430 AromaticContact CD2-CG 3.51Å; H353-Y430 AromaticContact CD2-CZ 3.34Å; H353-Y430 AromaticContact CG-CD1 4Å; H353-Y430 AromaticContact CG-CE1 3.92Å; H353-Y430 AromaticContact NE2-CD1 3.9Å; H353-Y430 AromaticContact NE2-CD2 3.43Å; H353-Y430 WeakPolarHBondContact NE2-CD2 3.34Å; H353-Y430 AromaticContact NE2-CE2 3.82Å; H353-Y430 AromaticContact NE2-CG 3.46Å
354D87.8Confident91.7Very high44 Ų4449.8 Ų49.824%0.23524%0.236CC..Hα-helixtrans-44.8-48.9-175.3-17242.1000113.6S350 A356 V357 K358S350-D354 WeakPolarHBondContact O-CA 3.33Å; S350-D354 WeakPolarHBondContact O-CB 3.39Å; S350-D354 PolarHBondContact O-N 3.26Å; D354-A356 PolarHBondContact O-N 2.95Å; D354-V357 PolarHBondContact O-N 3.04Å; D354-K358 WeakPolarHBondContact O-CB 3.4Å; D354-K358 WeakPolarHBondContact O-CG 3.45Å; D354-K358 PolarHBondContact O-N 3.42Å; D354-K358 WeakPolarHBondContact OD1-CE 2.74Å; D354-K358 IonicContact OD1-NZ 2.86Å; D354-K358 WeakPolarHBondContact OD2-CE 3.35Å; D354-K358 IonicContact OD2-NZ 3.21Å; D354-K358 PolarHBondContact OD2-NZ 2.84Å
355Q87.2Confident92.2Very high43 Ų4347.1 Ų47.120%0.20122%0.223CC..Hα-helixtrans-65.1-41-177.3-64.3-54.8-29.700112.8H353 K358 K359H353-Q355 VanDerWaalsContact C-N 3.29Å; H353-Q355 PolarHBondContact O-N 3.47Å; H353-Q355 VanDerWaalsContact O-N 3.15Å; Q355-K358 PolarHBondContact O-N 2.85Å; Q355-K359 WeakPolarHBondContact O-CB 3.23Å; Q355-K359 VanDerWaalsContact O-CG 3.27Å; Q355-K359 WeakPolarHBondContact O-CG 3.43Å; Q355-K359 PolarHBondContact O-N 3.34Å
356A91.4Very high92.5Very high1 Ų147.6 Ų47.61%0.00823%0.226CC..Hα-helixtrans-63.1-45.6175.400000110.8H353 D354 K358 K359 V360 L395 L398 Y430H353-A356 HydrophobicContact CB-CB 4.44Å; H353-A356 PolarHBondContact O-N 3.45Å; D354-A356 PolarHBondContact O-N 2.95Å; A356-K358 PolarHBondContact O-N 2.91Å; A356-K359 PolarHBondContact O-N 3.15Å; A356-V360 WeakPolarHBondContact O-CG2 3.48Å; A356-V360 PolarHBondContact O-N 2.96Å; A356-V360 VanDerWaalsContact O-N 3.12Å; A356-L395 HydrophobicContact CB-CD2 3.84Å; A356-L398 HydrophobicContact CB-CB 4.09Å; A356-L398 HydrophobicContact CB-CD1 3.91Å; A356-Y430 WeakPolarHBondContact CB-OH 3.41Å
357V94.3Very high92.7Very high2 Ų247.7 Ų47.71%0.01223%0.227CC..Hα-helixtrans-61-44.6177.4179.40000110.8L349 H353 D354 V360 K361 W381 V384 I388L349-V357 HydrophobicContact CD2-CG2 4Å; L349-V357 HydrophobicContact CG-CG2 4.04Å; H353-V357 PolarHBondContact O-N 3.33Å; H353-V357 VanDerWaalsContact O-N 3.08Å; D354-V357 PolarHBondContact O-N 3.04Å; V357-V360 PolarHBondContact O-N 3.43Å; V357-K361 VanDerWaalsContact O-CB 3.26Å; V357-K361 WeakPolarHBondContact O-CB 3.47Å; V357-K361 PolarHBondContact O-N 2.98Å; V357-W381 HydrophobicContact CG1-CZ3 3.85Å; V357-V384 HydrophobicContact CG1-CG1 4.2Å; V357-I388 HydrophobicContact CG2-CD1 4.15Å
358K93.7Very high92.9Very high108 Ų10844.1 Ų44.147%0.4721%0.208SC..Hα-helixtrans-61.9-43177.2-77.4172.6173.6170.30113.1D354 Q355 A356 K361 K362D354-K358 WeakPolarHBondContact O-CB 3.4Å; D354-K358 WeakPolarHBondContact O-CG 3.45Å; D354-K358 PolarHBondContact O-N 3.42Å; D354-K358 WeakPolarHBondContact OD1-CE 2.74Å; D354-K358 IonicContact OD1-NZ 2.86Å; D354-K358 WeakPolarHBondContact OD2-CE 3.35Å; D354-K358 IonicContact OD2-NZ 3.21Å; D354-K358 PolarHBondContact OD2-NZ 2.84Å; Q355-K358 PolarHBondContact O-N 2.85Å; A356-K358 PolarHBondContact O-N 2.91Å; K358-K361 PolarHBondContact O-N 3.11Å; K358-K362 WeakPolarHBondContact O-CB 3.45Å; K358-K362 PolarHBondContact O-N 3.4Å
359K94.3Very high93.3Very high50 Ų5046 Ų4622%0.21721%0.211CC..Hα-helixtrans-59.2-48.4176.5-75.7169.6178.4173.80111.2Q355 A356 K362 I363 L398 D402Q355-K359 WeakPolarHBondContact O-CB 3.23Å; Q355-K359 VanDerWaalsContact O-CG 3.27Å; Q355-K359 WeakPolarHBondContact O-CG 3.43Å; Q355-K359 PolarHBondContact O-N 3.34Å; A356-K359 PolarHBondContact O-N 3.15Å; K359-K362 PolarHBondContact O-N 3.31Å; K359-I363 PolarHBondContact O-N 3.5Å; K359-L398 HydrophobicContact CD-CD2 4.29Å; K359-L398 PolarHBondContact NZ-O 3.03Å; K359-D402 WeakPolarHBondContact CE-OD1 3.38Å; K359-D402 IonicContact NZ-OD1 3.31Å; K359-D402 PolarHBondContact NZ-OD1 3.44Å; K359-D402 IonicContact NZ-OD2 2.84Å; K359-D402 PolarHBondContact NZ-OD2 3.38Å
360V97.3Very high93.5Very high0 Ų051 Ų510%023%0.229CC..Hα-helixtrans-67.4-42.4178.2-178.40000111.1F301 A356 V357 K362 I363 V364 V384 L387 I388 L398F301-V360 HydrophobicContact CD2-CG1 4.28Å; F301-V360 HydrophobicContact CD2-CG2 4.09Å; F301-V360 HydrophobicContact CE2-CG1 4.25Å; F301-V360 HydrophobicContact CE2-CG2 3.67Å; A356-V360 WeakPolarHBondContact O-CG2 3.48Å; A356-V360 PolarHBondContact O-N 2.96Å; A356-V360 VanDerWaalsContact O-N 3.12Å; V357-V360 PolarHBondContact O-N 3.43Å; V360-K362 VanDerWaalsContact C-N 3.26Å; V360-K362 PolarHBondContact O-N 3.33Å; V360-I363 WeakPolarHBondContact O-CG1 3.13Å; V360-I363 PolarHBondContact O-N 3.12Å; V360-V364 WeakPolarHBondContact O-CG2 3.36Å; V360-V364 PolarHBondContact O-N 3.36Å; V360-V384 HydrophobicContact CB-CG1 4.39Å; V360-V384 HydrophobicContact CG1-CB 4.42Å; V360-V384 HydrophobicContact CG1-CG1 4.14Å; V360-V384 HydrophobicContact CG1-CG2 4.3Å; V360-L387 HydrophobicContact CG1-CB 4.09Å; V360-L387 HydrophobicContact CG1-CD1 3.85Å; V360-I388 HydrophobicContact CG1-CG1 4.42Å; V360-I388 HydrophobicContact CG2-CD1 4.49Å; V360-I388 HydrophobicContact CG2-CG1 4.27Å; V360-L398 HydrophobicContact CG2-CD1 3.68Å
361K96.9Very high93.7Very high44 Ų4452.3 Ų52.319%0.19123%0.231CC..Hα-helixtrans-58-40176.6-170.5-176.8-180-66.50111.9V357 K358 I363 V364 D365 I380 W381 V384V357-K361 VanDerWaalsContact O-CB 3.26Å; V357-K361 WeakPolarHBondContact O-CB 3.47Å; V357-K361 PolarHBondContact O-N 2.98Å; K358-K361 PolarHBondContact O-N 3.11Å; K361-I363 PolarHBondContact O-N 3.27Å; K361-V364 PolarHBondContact O-N 3.25Å; K361-D365 IonicContact NZ-OD1 2.92Å; K361-D365 IonicContact NZ-OD2 3.8Å; K361-D365 PolarHBondContact NZ-OD2 3.42Å; K361-D365 WeakPolarHBondContact O-CB 3.5Å; K361-D365 PolarHBondContact O-N 2.98Å; K361-I380 HydrophobicContact CG-CG2 3.84Å; K361-W381 HydrophobicContact CD-CH2 3.73Å; K361-W381 HydrophobicContact CD-CZ2 3.96Å; K361-W381 HydrophobicContact CD-CZ3 4.04Å; K361-V384 HydrophobicContact CB-CG2 3.91Å; K361-V384 HydrophobicContact CG-CG2 4.21Å
362K97.2Very high94Very high159 Ų15954.7 Ų54.769%0.69124%0.242SC*.Hα-helixtrans-60.6-44.1179.8-175.3-179.4177.2-176.70113.1K358 K359 V360 H366K358-K362 WeakPolarHBondContact O-CB 3.45Å; K358-K362 PolarHBondContact O-N 3.4Å; K359-K362 PolarHBondContact O-N 3.31Å; V360-K362 VanDerWaalsContact C-N 3.26Å; V360-K362 PolarHBondContact O-N 3.33Å; K362-H366 PolarHBondContact O-N 3.2Å
363I97.9Very high94.3Very high17 Ų1752.8 Ų52.89%0.08723%0.23CC..Hα-helixtrans-69.7-36.417860.7163.7000111.4L297 E300 F301 L304 K359 V360 K361 H366 F367L297-I363 HydrophobicContact CD1-CD1 4.19Å; L297-I363 HydrophobicContact CD1-CG1 4.26Å; E300-I363 HydrophobicContact CB-CD1 4.45Å; F301-I363 VanDerWaalsContact CA-CD1 3.44Å; F301-I363 HydrophobicContact CB-CD1 3.61Å; F301-I363 HydrophobicContact CD2-CD1 4.07Å; F301-I363 HydrophobicContact CG-CD1 4.34Å; L304-I363 HydrophobicContact CD1-CD1 3.76Å; L304-I363 HydrophobicContact CD1-CG1 4.17Å; L304-I363 HydrophobicContact CD1-CG2 3.9Å; L304-I363 HydrophobicContact CD2-CG2 4.46Å; L304-I363 HydrophobicContact CG-CG2 4.39Å; K359-I363 PolarHBondContact O-N 3.5Å; V360-I363 WeakPolarHBondContact O-CG1 3.13Å; V360-I363 PolarHBondContact O-N 3.12Å; K361-I363 PolarHBondContact O-N 3.27Å; I363-H366 PolarHBondContact O-N 2.99Å; I363-F367 WeakPolarHBondContact O-CB 3.34Å; I363-F367 PolarHBondContact O-N 2.92Å
364V97.8Very high94.3Very high0 Ų051.1 Ų51.10%022%0.222CC..Hα-helixtrans-66.1-45.8175.4174.90000110.9L297 V360 K361 H366 F367 V368 I380 Y383 V384 L387L297-V364 HydrophobicContact CD1-CG2 4.18Å; L297-V364 HydrophobicContact CD2-CG2 4.48Å; V360-V364 WeakPolarHBondContact O-CG2 3.36Å; V360-V364 PolarHBondContact O-N 3.36Å; K361-V364 PolarHBondContact O-N 3.25Å; V364-H366 VanDerWaalsContact C-N 3.28Å; V364-H366 PolarHBondContact O-N 3.28Å; V364-F367 PolarHBondContact O-N 3.4Å; V364-V368 HydrophobicContact CG1-CG2 4.2Å; V364-V368 WeakPolarHBondContact O-CB 3.4Å; V364-V368 VanDerWaalsContact O-CG2 3.28Å; V364-V368 WeakPolarHBondContact O-CG2 3.23Å; V364-V368 PolarHBondContact O-N 3.1Å; V364-I380 HydrophobicContact CB-CG2 4.42Å; V364-I380 HydrophobicContact CG1-CB 4.2Å; V364-I380 HydrophobicContact CG1-CG1 4.38Å; V364-I380 HydrophobicContact CG1-CG2 3.89Å; V364-Y383 HydrophobicContact CG1-CD2 4.19Å; V364-Y383 HydrophobicContact CG1-CG 4.42Å; V364-V384 HydrophobicContact CB-CG2 4.19Å; V364-V384 HydrophobicContact CG2-CG2 3.95Å; V364-L387 HydrophobicContact CG2-CD1 3.76Å
365D97.1Very high94.2Very high27 Ų2754.1 Ų54.114%0.14424%0.235CC..Hα-helixtrans-56.3-43.5174.1-87.7-54.3000111.2K361 R369 I380K361-D365 IonicContact NZ-OD1 2.92Å; K361-D365 IonicContact NZ-OD2 3.8Å; K361-D365 PolarHBondContact NZ-OD2 3.42Å; K361-D365 WeakPolarHBondContact O-CB 3.5Å; K361-D365 PolarHBondContact O-N 2.98Å; D365-R369 WeakPolarHBondContact O-CB 3.39Å; D365-R369 WeakPolarHBondContact O-CD 3.27Å; D365-R369 WeakPolarHBondContact O-CG 3.47Å; D365-R369 PolarHBondContact O-N 3.34Å; D365-R369 VanDerWaalsContact O-N 3.09Å; D365-I380 WeakPolarHBondContact OD1-CD1 3.36Å
366H97Very high94.2Very high96 Ų9654.8 Ų54.844%0.44424%0.238SC..Hα-helixtrans-62.7-48.3177.2-176.359.4000111.6E300 K362 I363 V364 R369 R370E300-H366 IonicContact OE1-CD2 3.85Å; K362-H366 PolarHBondContact O-N 3.2Å; I363-H366 PolarHBondContact O-N 2.99Å; V364-H366 VanDerWaalsContact C-N 3.28Å; V364-H366 PolarHBondContact O-N 3.28Å; H366-R369 PolarHBondContact O-N 3.12Å; H366-R370 WeakPolarHBondContact O-CB 3.47Å; H366-R370 PolarHBondContact O-N 3.49Å
367F97.6Very high94.1Very high2 Ų259.1 Ų59.11%0.00926%0.258CS..Hα-helixtrans-57.8-52.2178.1170-97.1000112.8R293 H294 L297 I363 V364 R369 R370 Y371 I373 Y383R293-F367 HydrophobicContact CB-CE2 4Å; R293-F367 HydrophobicContact CB-CZ 4.35Å; R293-F367 WeakPolarHBondContact O-CE2 3.49Å; H294-F367 AromaticContact CD2-CZ 3.78Å; H294-F367 AromaticContact NE2-CE1 3.99Å; H294-F367 AromaticContact NE2-CZ 3.82Å; L297-F367 HydrophobicContact CB-CB 4.43Å; L297-F367 HydrophobicContact CB-CD2 3.68Å; L297-F367 HydrophobicContact CB-CE2 4.03Å; L297-F367 HydrophobicContact CB-CG 3.95Å; L297-F367 HydrophobicContact CD1-CB 3.9Å; L297-F367 HydrophobicContact CD1-CG 4.22Å; L297-F367 HydrophobicContact CD2-CB 4.41Å; L297-F367 HydrophobicContact CD2-CD1 3.78Å; L297-F367 HydrophobicContact CD2-CD2 4.44Å; L297-F367 HydrophobicContact CD2-CE1 4.14Å; L297-F367 HydrophobicContact CD2-CG 3.94Å; L297-F367 HydrophobicContact CG-CB 4.47Å; L297-F367 HydrophobicContact CG-CD2 4.48Å; L297-F367 HydrophobicContact CG-CG 4.25Å; I363-F367 WeakPolarHBondContact O-CB 3.34Å; I363-F367 PolarHBondContact O-N 2.92Å; V364-F367 PolarHBondContact O-N 3.4Å; F367-R369 VanDerWaalsContact C-N 3.33Å; F367-R369 PolarHBondContact O-N 3.45Å; F367-R370 PolarHBondContact O-N 3.34Å; F367-Y371 AromaticContact CD2-CD2 3.46Å; F367-Y371 HydrophobicContact CD2-CD2 3.46Å; F367-Y371 VanDerWaalsContact CD2-CD2 3.46Å; F367-Y371 AromaticContact CD2-CE2 3.68Å; F367-Y371 HydrophobicContact CD2-CE2 3.68Å; F367-Y371 AromaticContact CE2-CD2 3.33Å; F367-Y371 HydrophobicContact CE2-CD2 3.33Å; F367-Y371 AromaticContact CE2-CE2 3.6Å; F367-Y371 HydrophobicContact CE2-CE2 3.6Å; F367-Y371 HydrophobicContact CE2-CG 4.4Å; F367-Y371 HydrophobicContact CG-CD2 4.28Å; F367-Y371 HydrophobicContact CZ-CD2 4.07Å; F367-Y371 WeakPolarHBondContact O-CD2 3.14Å; F367-Y371 PolarHBondContact O-N 2.74Å; F367-I373 HydrophobicContact CE1-CD1 3.77Å; F367-I373 HydrophobicContact CE1-CG1 4.46Å; F367-I373 HydrophobicContact CZ-CD1 3.98Å; F367-Y383 HydrophobicContact CD1-CD2 4.46Å; F367-Y383 HydrophobicContact CD1-CE2 4.34Å; F367-Y383 HydrophobicContact CE1-CD2 4.4Å; F367-Y383 AromaticContact CE1-CE2 3.87Å; F367-Y383 HydrophobicContact CE1-CE2 3.87Å
368V95Very high93.9Very high2 Ų260.7 Ų60.71%0.01227%0.266CS..Hα-helixtrans-58.2-44.3179.8164.20000110.7V364 Q372 I373 Y374 Q375 I380V364-V368 HydrophobicContact CG1-CG2 4.2Å; V364-V368 WeakPolarHBondContact O-CB 3.4Å; V364-V368 VanDerWaalsContact O-CG2 3.28Å; V364-V368 WeakPolarHBondContact O-CG2 3.23Å; V364-V368 PolarHBondContact O-N 3.1Å; V368-Q372 WeakPolarHBondContact O-CA 3.1Å; V368-Q372 PolarHBondContact O-N 3.47Å; V368-I373 WeakPolarHBondContact CG1-O 3.03Å; V368-I373 PolarHBondContact O-N 2.93Å; V368-Y374 VanDerWaalsContact CG1-O 3.23Å; V368-Y374 WeakPolarHBondContact CG1-O 3.47Å; V368-Q375 PolarHBondContact O-NE2 3.2Å; V368-I380 HydrophobicContact CB-CG1 4.41Å; V368-I380 HydrophobicContact CG1-CD1 4.43Å; V368-I380 HydrophobicContact CG1-CG1 4.2Å; V368-I380 HydrophobicContact CG2-CG1 4.1Å
369R95.1Very high93.8Very high160 Ų16055.6 Ų55.660%0.60424%0.244SC*.Hα-helixtrans-68.7-43.4175.9-71173.9-172.4-169.53.3112.5D365 H366 F367 Y371 Q372D365-R369 WeakPolarHBondContact O-CB 3.39Å; D365-R369 WeakPolarHBondContact O-CD 3.27Å; D365-R369 WeakPolarHBondContact O-CG 3.47Å; D365-R369 PolarHBondContact O-N 3.34Å; D365-R369 VanDerWaalsContact O-N 3.09Å; H366-R369 PolarHBondContact O-N 3.12Å; F367-R369 VanDerWaalsContact C-N 3.33Å; F367-R369 PolarHBondContact O-N 3.45Å; R369-Y371 VanDerWaalsContact C-N 3.31Å; R369-Y371 PolarHBondContact O-N 3.04Å; R369-Q372 PolarHBondContact O-N 3.06Å; R369-Q372 PolarHBondContact O-NE2 3.15Å
370R96.1Very high93.8Very high127 Ų12753.9 Ų53.948%0.47924%0.237SC..Hα-helixtrans-61.2-42.6-178.3176.3170.9175.2-177.8-16.8111.6E296 H366 F367E296-R370 IonicContact OE1-CZ 2.77Å; E296-R370 IonicContact OE1-NH1 3.47Å; E296-R370 PolarHBondContact OE1-NH1 3.49Å; E296-R370 IonicContact OE1-NH2 3.8Å; E296-R370 PolarHBondContact OE1-NH2 2.75Å; E296-R370 IonicContact OE2-CZ 3.92Å; E296-R370 IonicContact OE2-NH2 3.75Å; H366-R370 WeakPolarHBondContact O-CB 3.47Å; H366-R370 PolarHBondContact O-N 3.49Å; F367-R370 PolarHBondContact O-N 3.34Å
371Y94.3Very high93.7Very high50 Ų5055.3 Ų55.320%0.19624%0.242CC..Hα-helixtrans-93.1-2.8-177.6-70.9-62.9000114.7R293 E296 F367 R369 I373R293-Y371 HydrophobicContact CB-CD2 4.24Å; R293-Y371 HydrophobicContact CB-CE1 4.3Å; R293-Y371 HydrophobicContact CB-CE2 3.96Å; R293-Y371 VanDerWaalsContact CD-CD1 3.43Å; R293-Y371 HydrophobicContact CG-CD1 3.88Å; R293-Y371 HydrophobicContact CG-CD2 4.41Å; R293-Y371 HydrophobicContact CG-CE1 3.51Å; R293-Y371 HydrophobicContact CG-CE2 4.07Å; R293-Y371 HydrophobicContact CG-CG 4.31Å; E296-Y371 PolarHBondContact OE2-OH 2.85Å; F367-Y371 AromaticContact CD2-CD2 3.46Å; F367-Y371 HydrophobicContact CD2-CD2 3.46Å; F367-Y371 VanDerWaalsContact CD2-CD2 3.46Å; F367-Y371 AromaticContact CD2-CE2 3.68Å; F367-Y371 HydrophobicContact CD2-CE2 3.68Å; F367-Y371 AromaticContact CE2-CD2 3.33Å; F367-Y371 HydrophobicContact CE2-CD2 3.33Å; F367-Y371 AromaticContact CE2-CE2 3.6Å; F367-Y371 HydrophobicContact CE2-CE2 3.6Å; F367-Y371 HydrophobicContact CE2-CG 4.4Å; F367-Y371 HydrophobicContact CG-CD2 4.28Å; F367-Y371 HydrophobicContact CZ-CD2 4.07Å; F367-Y371 WeakPolarHBondContact O-CD2 3.14Å; F367-Y371 PolarHBondContact O-N 2.74Å; R369-Y371 VanDerWaalsContact C-N 3.31Å; R369-Y371 PolarHBondContact O-N 3.04Å; Y371-I373 WeakPolarHBondContact O-CG2 3.4Å; Y371-I373 PolarHBondContact O-N 3.39Å
372Q92.3Very high93.5Very high139 Ų13953.3 Ų53.365%0.6523%0.234SC*.THydrogen-bonded Turntrans53.839.9179-62.7-69.5-51.600112.3V368 R369V368-Q372 WeakPolarHBondContact O-CA 3.1Å; V368-Q372 PolarHBondContact O-N 3.47Å; R369-Q372 PolarHBondContact O-N 3.06Å; R369-Q372 PolarHBondContact O-NE2 3.15Å
373I91.2Very high93.5Very high3 Ų345.8 Ų45.82%0.01520%0.201CC..  trans-115.4149.517564.2178.9000108.5Y290 P330 F367 V368 Y371 Q375Y290-I373 HydrophobicContact CE1-CG2 4.38Å; P330-I373 HydrophobicContact CB-CB 4.23Å; P330-I373 HydrophobicContact CB-CG2 3.9Å; F367-I373 HydrophobicContact CE1-CD1 3.77Å; F367-I373 HydrophobicContact CE1-CG1 4.46Å; F367-I373 HydrophobicContact CZ-CD1 3.98Å; V368-I373 WeakPolarHBondContact CG1-O 3.03Å; V368-I373 PolarHBondContact O-N 2.93Å; Y371-I373 WeakPolarHBondContact O-CG2 3.4Å; Y371-I373 PolarHBondContact O-N 3.39Å; I373-Q375 PolarHBondContact O-N 3.27Å; I373-Q375 PolarHBondContact O-NE2 2.8Å
374Y88.1Confident93.4Very high0 Ų045 Ų450%020%0.197CC..  trans52.853.8168.1-57.4-38.3000116.1H325 Y328 E329 P330 V368 E376 F379 Y383H325-Y374 VanDerWaalsContact C-OH 3.24Å; H325-Y374 WeakPolarHBondContact CA-OH 3.25Å; H325-Y374 HydrophobicContact CB-CE2 4.14Å; H325-Y374 PolarHBondContact CE1-OH 2.7Å; H325-Y374 VanDerWaalsContact CG-OH 3.32Å; H325-Y374 AromaticContact ND1-CE2 3.23Å; H325-Y374 WeakPolarHBondContact ND1-CE2 3.4Å; H325-Y374 AromaticContact ND1-CZ 3.31Å; H325-Y374 VanDerWaalsContact ND1-CZ 3.31Å; H325-Y374 PolarHBondContact ND1-OH 2.71Å; H325-Y374 PolarHBondContact O-OH 3.08Å; Y328-Y374 PolarHBondContact O-OH 3.2Å; E329-Y374 VanDerWaalsContact O-CE1 3.27Å; E329-Y374 WeakPolarHBondContact O-CE1 3.46Å; P330-Y374 PolarHBondContact O-N 3.46Å; V368-Y374 VanDerWaalsContact CG1-O 3.23Å; V368-Y374 WeakPolarHBondContact CG1-O 3.47Å; Y374-E376 PolarHBondContact O-N 3.27Å; Y374-F379 AromaticContact CD1-CD1 3.86Å; Y374-F379 HydrophobicContact CD1-CD1 3.86Å; Y374-F379 AromaticContact CD1-CD2 3.89Å; Y374-F379 HydrophobicContact CD1-CD2 3.89Å; Y374-F379 AromaticContact CD1-CE1 3.69Å; Y374-F379 HydrophobicContact CD1-CE1 3.69Å; Y374-F379 AromaticContact CD1-CE2 3.71Å; Y374-F379 HydrophobicContact CD1-CE2 3.71Å; Y374-F379 AromaticContact CD1-CG 3.97Å; Y374-F379 HydrophobicContact CD1-CG 3.97Å; Y374-F379 AromaticContact CD1-CZ 3.61Å; Y374-F379 HydrophobicContact CD1-CZ 3.61Å; Y374-F379 HydrophobicContact CD2-CD1 4.19Å; Y374-F379 HydrophobicContact CD2-CG 4.44Å; Y374-F379 HydrophobicContact CE1-CD1 4.36Å; Y374-F379 AromaticContact CE1-CE1 3.87Å; Y374-F379 HydrophobicContact CE1-CE1 3.87Å; Y374-F379 HydrophobicContact CE1-CE2 4.45Å; Y374-F379 AromaticContact CE1-CZ 3.92Å; Y374-F379 HydrophobicContact CE1-CZ 3.92Å; Y374-F379 HydrophobicContact CG-CB 4.13Å; Y374-F379 AromaticContact CG-CD1 3.79Å; Y374-F379 HydrophobicContact CG-CD1 3.79Å; Y374-F379 AromaticContact CG-CD2 4Å; Y374-F379 HydrophobicContact CG-CD2 4Å; Y374-F379 HydrophobicContact CG-CE1 4.11Å; Y374-F379 HydrophobicContact CG-CE2 4.3Å; Y374-F379 AromaticContact CG-CG 3.74Å; Y374-F379 HydrophobicContact CG-CG 3.74Å; Y374-F379 HydrophobicContact CG-CZ 4.35Å; Y374-Y383 HydrophobicContact CD2-CE2 4.4Å; Y374-Y383 VanDerWaalsContact CE2-OH 3.28Å; Y374-Y383 WeakPolarHBondContact CE2-OH 3.49Å
375Q85.3Confident93.4Very high106 Ų10647.3 Ų47.350%0.49521%0.206SC..  trans-68.7-1.7-176.6-57.6-59-6500114.5V368 I373V368-Q375 PolarHBondContact O-NE2 3.2Å; I373-Q375 PolarHBondContact O-N 3.27Å; I373-Q375 PolarHBondContact O-NE2 2.8Å
376E87.6Confident93.4Very high57 Ų5746.5 Ų46.527%0.26620%0.202SC..SBendtrans-81.7141.2172.7-55.6-159.2138.500112.3Q333 Y374 D378 F379Q333-E376 VanDerWaalsContact CA-OE2 3.27Å; Q333-E376 WeakPolarHBondContact CA-OE2 3.2Å; Q333-E376 WeakPolarHBondContact CB-OE2 3.36Å; Q333-E376 VanDerWaalsContact CG-CD 3.46Å; Q333-E376 WeakPolarHBondContact CG-OE1 3.4Å; Q333-E376 WeakPolarHBondContact CG-OE2 3.29Å; Q333-E376 PolarHBondContact NE2-OE1 3.26Å; Y374-E376 PolarHBondContact O-N 3.27Å; E376-D378 PolarHBondContact O-N 2.91Å; E376-F379 HydrophobicContact CB-CD2 4.07Å; E376-F379 PolarHBondContact O-N 2.67Å; E376-F379 VanDerWaalsContact O-N 3.15Å
377E90.4Very high93.4Very high92 Ų9242 Ų4243%0.4318%0.181SC..Hα-helixtrans-56.7-36.1-178.3-156.4-164.6-17800113.2R343 F379 I380 W381R343-E377 IonicContact CZ-OE2 2.79Å; R343-E377 IonicContact NH1-OE2 3.05Å; R343-E377 IonicContact NH2-OE2 3.55Å; R343-E377 PolarHBondContact NH2-OE2 3.36Å; E377-F379 VanDerWaalsContact C-N 3.26Å; E377-F379 PolarHBondContact O-N 3.38Å; E377-I380 WeakPolarHBondContact O-CB 3.37Å; E377-I380 PolarHBondContact O-N 3.14Å; E377-I380 VanDerWaalsContact O-N 3.12Å; E377-W381 VanDerWaalsContact CD-NE1 3.33Å; E377-W381 PolarHBondContact O-N 2.66Å; E377-W381 PolarHBondContact OE1-NE1 3.23Å
378D89.8Confident93.4Very high35 Ų3542 Ų4219%0.18718%0.181CC..Hα-helixtrans-66-27.2-176.6-70.1-29.8000112.5L334 R343 E376 N382L334-D378 HydrophobicContact CB-CB 4.29Å; L334-D378 HydrophobicContact CD2-CB 3.98Å; R343-D378 IonicContact NH1-OD1 3.1Å; R343-D378 PolarHBondContact NH1-OD1 3.08Å; E376-D378 PolarHBondContact O-N 2.91Å; D378-N382 WeakPolarHBondContact O-CB 3.37Å; D378-N382 PolarHBondContact O-N 3.25Å
379F92Very high93.5Very high2 Ų244 Ų441%0.00919%0.193CC..Hα-helixtrans-72.8-37.1172.6-76.3-74.4000112.8Y328 G332 L334 Y374 E376 E377 W381 N382 Y383Y328-F379 HydrophobicContact CD1-CE1 4.45Å; Y328-F379 HydrophobicContact CD1-CZ 4.26Å; Y328-F379 AromaticContact CD2-CE1 3.71Å; Y328-F379 HydrophobicContact CD2-CE1 3.71Å; Y328-F379 HydrophobicContact CD2-CZ 4.29Å; Y328-F379 HydrophobicContact CE2-CE1 4.27Å; Y328-F379 AromaticContact CG-CE1 3.81Å; Y328-F379 HydrophobicContact CG-CE1 3.81Å; Y328-F379 AromaticContact CG-CZ 3.91Å; Y328-F379 HydrophobicContact CG-CZ 3.91Å; G332-F379 WeakPolarHBondContact O-CE2 3.17Å; L334-F379 HydrophobicContact CB-CD1 4.39Å; L334-F379 HydrophobicContact CB-CD2 4.42Å; L334-F379 HydrophobicContact CB-CE1 4.12Å; L334-F379 HydrophobicContact CB-CE2 4.16Å; L334-F379 HydrophobicContact CB-CZ 4Å; L334-F379 HydrophobicContact CD1-CD1 3.84Å; L334-F379 HydrophobicContact CD1-CE1 3.63Å; L334-F379 HydrophobicContact CD1-CZ 4.3Å; L334-F379 VanDerWaalsContact N-CE2 3.26Å; L334-F379 VanDerWaalsContact N-CZ 3.29Å; Y374-F379 AromaticContact CD1-CD1 3.86Å; Y374-F379 HydrophobicContact CD1-CD1 3.86Å; Y374-F379 AromaticContact CD1-CD2 3.89Å; Y374-F379 HydrophobicContact CD1-CD2 3.89Å; Y374-F379 AromaticContact CD1-CE1 3.69Å; Y374-F379 HydrophobicContact CD1-CE1 3.69Å; Y374-F379 AromaticContact CD1-CE2 3.71Å; Y374-F379 HydrophobicContact CD1-CE2 3.71Å; Y374-F379 AromaticContact CD1-CG 3.97Å; Y374-F379 HydrophobicContact CD1-CG 3.97Å; Y374-F379 AromaticContact CD1-CZ 3.61Å; Y374-F379 HydrophobicContact CD1-CZ 3.61Å; Y374-F379 HydrophobicContact CD2-CD1 4.19Å; Y374-F379 HydrophobicContact CD2-CG 4.44Å; Y374-F379 HydrophobicContact CE1-CD1 4.36Å; Y374-F379 AromaticContact CE1-CE1 3.87Å; Y374-F379 HydrophobicContact CE1-CE1 3.87Å; Y374-F379 HydrophobicContact CE1-CE2 4.45Å; Y374-F379 AromaticContact CE1-CZ 3.92Å; Y374-F379 HydrophobicContact CE1-CZ 3.92Å; Y374-F379 HydrophobicContact CG-CB 4.13Å; Y374-F379 AromaticContact CG-CD1 3.79Å; Y374-F379 HydrophobicContact CG-CD1 3.79Å; Y374-F379 AromaticContact CG-CD2 4Å; Y374-F379 HydrophobicContact CG-CD2 4Å; Y374-F379 HydrophobicContact CG-CE1 4.11Å; Y374-F379 HydrophobicContact CG-CE2 4.3Å; Y374-F379 AromaticContact CG-CG 3.74Å; Y374-F379 HydrophobicContact CG-CG 3.74Å; Y374-F379 HydrophobicContact CG-CZ 4.35Å; E376-F379 HydrophobicContact CB-CD2 4.07Å; E376-F379 PolarHBondContact O-N 2.67Å; E376-F379 VanDerWaalsContact O-N 3.15Å; E377-F379 VanDerWaalsContact C-N 3.26Å; E377-F379 PolarHBondContact O-N 3.38Å; F379-W381 VanDerWaalsContact C-N 3.34Å; F379-N382 VanDerWaalsContact O-CB 3.28Å; F379-N382 WeakPolarHBondContact O-CB 3.48Å; F379-N382 PolarHBondContact O-N 3.11Å; F379-Y383 PolarHBondContact O-N 3.37Å
380I94.3Very high93.5Very high13 Ų1338.8 Ų38.87%0.06718%0.177CC..Hα-helixtrans-60-50.5173.9-68.7153.3000108.8K361 V364 D365 V368 E377 N382 Y383 V384K361-I380 HydrophobicContact CG-CG2 3.84Å; V364-I380 HydrophobicContact CB-CG2 4.42Å; V364-I380 HydrophobicContact CG1-CB 4.2Å; V364-I380 HydrophobicContact CG1-CG1 4.38Å; V364-I380 HydrophobicContact CG1-CG2 3.89Å; D365-I380 WeakPolarHBondContact OD1-CD1 3.36Å; V368-I380 HydrophobicContact CB-CG1 4.41Å; V368-I380 HydrophobicContact CG1-CD1 4.43Å; V368-I380 HydrophobicContact CG1-CG1 4.2Å; V368-I380 HydrophobicContact CG2-CG1 4.1Å; E377-I380 WeakPolarHBondContact O-CB 3.37Å; E377-I380 PolarHBondContact O-N 3.14Å; E377-I380 VanDerWaalsContact O-N 3.12Å; I380-N382 PolarHBondContact O-N 3.42Å; I380-Y383 PolarHBondContact O-N 2.95Å; I380-V384 VanDerWaalsContact O-CG2 3.31Å; I380-V384 WeakPolarHBondContact O-CG2 3.45Å; I380-V384 PolarHBondContact O-N 2.83Å
381W93.9Very high93.5Very high30 Ų3032.8 Ų32.811%0.11415%0.154CC..Hα-helixtrans-60-36.1176.1-71.2120000112.6L346 V357 K361 E377 F379 V384 Y385L346-W381 HydrophobicContact CB-CE3 4.24Å; L346-W381 HydrophobicContact CB-CZ3 4.32Å; L346-W381 HydrophobicContact CD1-CB 4.42Å; L346-W381 HydrophobicContact CD1-CD2 4.5Å; L346-W381 HydrophobicContact CD1-CE3 3.56Å; L346-W381 HydrophobicContact CD1-CZ3 4.21Å; L346-W381 VanDerWaalsContact CD1-O 3.25Å; L346-W381 WeakPolarHBondContact CD1-O 2.92Å; V357-W381 HydrophobicContact CG1-CZ3 3.85Å; K361-W381 HydrophobicContact CD-CH2 3.73Å; K361-W381 HydrophobicContact CD-CZ2 3.96Å; K361-W381 HydrophobicContact CD-CZ3 4.04Å; E377-W381 VanDerWaalsContact CD-NE1 3.33Å; E377-W381 PolarHBondContact O-N 2.66Å; E377-W381 PolarHBondContact OE1-NE1 3.23Å; F379-W381 VanDerWaalsContact C-N 3.34Å; W381-V384 PolarHBondContact O-N 3.12Å; W381-Y385 WeakPolarHBondContact O-CB 3.47Å; W381-Y385 PolarHBondContact O-N 2.87Å
382N93.9Very high93.4Very high3 Ų334.5 Ų34.52%0.01617%0.171CC..Hα-helixtrans-59.7-48174.9-16845.7000112.6E324 R342 D378 F379 I380 Y385 L386E324-N382 PolarHBondContact OE2-ND2 3.01Å; R342-N382 WeakPolarHBondContact CD-OD1 3.43Å; R342-N382 PolarHBondContact NH1-OD1 3.32Å; D378-N382 WeakPolarHBondContact O-CB 3.37Å; D378-N382 PolarHBondContact O-N 3.25Å; F379-N382 VanDerWaalsContact O-CB 3.28Å; F379-N382 WeakPolarHBondContact O-CB 3.48Å; F379-N382 PolarHBondContact O-N 3.11Å; I380-N382 PolarHBondContact O-N 3.42Å; N382-Y385 WeakPolarHBondContact O-CB 3.33Å; N382-Y385 PolarHBondContact O-N 2.8Å; N382-L386 VanDerWaalsContact O-CG 3.3Å; N382-L386 WeakPolarHBondContact O-CG 3.37Å; N382-L386 PolarHBondContact O-N 3.19Å
383Y96.3Very high93.3Very high1 Ų132.6 Ų32.60%0.00416%0.162CC..Hα-helixtrans-69.4-38.5179.9-76.22.9000112.5H294 L297 L321 E324 V364 F367 Y374 F379 I380 Y385 L386 L387H294-Y383 AromaticContact NE2-CE2 3.93Å; H294-Y383 AromaticContact NE2-CZ 3.76Å; H294-Y383 PolarHBondContact NE2-OH 3.1Å; L297-Y383 HydrophobicContact CD2-CD2 4.04Å; L321-Y383 HydrophobicContact CD2-CD1 3.64Å; L321-Y383 HydrophobicContact CD2-CD2 4.4Å; L321-Y383 HydrophobicContact CD2-CE1 4.03Å; L321-Y383 HydrophobicContact CD2-CG 3.83Å; E324-Y383 HydrophobicContact CB-CE1 4.41Å; V364-Y383 HydrophobicContact CG1-CD2 4.19Å; V364-Y383 HydrophobicContact CG1-CG 4.42Å; F367-Y383 HydrophobicContact CD1-CD2 4.46Å; F367-Y383 HydrophobicContact CD1-CE2 4.34Å; F367-Y383 HydrophobicContact CE1-CD2 4.4Å; F367-Y383 AromaticContact CE1-CE2 3.87Å; F367-Y383 HydrophobicContact CE1-CE2 3.87Å; Y374-Y383 HydrophobicContact CD2-CE2 4.4Å; Y374-Y383 VanDerWaalsContact CE2-OH 3.28Å; Y374-Y383 WeakPolarHBondContact CE2-OH 3.49Å; F379-Y383 PolarHBondContact O-N 3.37Å; I380-Y383 PolarHBondContact O-N 2.95Å; Y383-Y385 VanDerWaalsContact C-N 3.29Å; Y383-Y385 PolarHBondContact O-N 3.34Å; Y383-L386 HydrophobicContact CD1-CD1 4.25Å; Y383-L386 PolarHBondContact O-N 3.01Å; Y383-L387 WeakPolarHBondContact O-CG 3.48Å; Y383-L387 PolarHBondContact O-N 3.33Å
384V97.1Very high93.5Very high0 Ų032.5 Ų32.50%016%0.162CC..Hα-helixtrans-57.9-45.5172.2175.20000110.5L346 V357 V360 K361 V364 I380 W381 L386 L387 I388L346-V384 HydrophobicContact CD1-CB 3.93Å; L346-V384 HydrophobicContact CD1-CG1 3.76Å; L346-V384 HydrophobicContact CD2-CG1 4.1Å; V357-V384 HydrophobicContact CG1-CG1 4.2Å; V360-V384 HydrophobicContact CB-CG1 4.39Å; V360-V384 HydrophobicContact CG1-CB 4.42Å; V360-V384 HydrophobicContact CG1-CG1 4.14Å; V360-V384 HydrophobicContact CG1-CG2 4.3Å; K361-V384 HydrophobicContact CB-CG2 3.91Å; K361-V384 HydrophobicContact CG-CG2 4.21Å; V364-V384 HydrophobicContact CB-CG2 4.19Å; V364-V384 HydrophobicContact CG2-CG2 3.95Å; I380-V384 VanDerWaalsContact O-CG2 3.31Å; I380-V384 WeakPolarHBondContact O-CG2 3.45Å; I380-V384 PolarHBondContact O-N 2.83Å; W381-V384 PolarHBondContact O-N 3.12Å; V384-L386 PolarHBondContact O-N 3.31Å; V384-L387 PolarHBondContact O-N 2.6Å; V384-I388 HydrophobicContact CG1-CD1 3.74Å; V384-I388 WeakPolarHBondContact O-CB 3.39Å; V384-I388 WeakPolarHBondContact O-CG1 3.39Å; V384-I388 PolarHBondContact O-N 3.01Å; V384-I388 VanDerWaalsContact O-N 3.08Å
385Y97.1Very high93.7Very high48 Ų4833.5 Ų33.519%0.18817%0.167CC..Hα-helixtrans-58.9-48.1177.7171.7-90000111.3R342 F345 W381 N382 Y383 T389R342-Y385 HydrophobicContact CB-CD1 4.25Å; R342-Y385 HydrophobicContact CB-CD2 3.88Å; R342-Y385 HydrophobicContact CB-CE2 4.36Å; R342-Y385 HydrophobicContact CB-CG 3.82Å; R342-Y385 HydrophobicContact CG-CD1 3.63Å; R342-Y385 HydrophobicContact CG-CD2 3.93Å; R342-Y385 HydrophobicContact CG-CE1 3.76Å; R342-Y385 HydrophobicContact CG-CE2 4.05Å; R342-Y385 HydrophobicContact CG-CG 3.72Å; F345-Y385 HydrophobicContact CB-CD2 4.44Å; F345-Y385 HydrophobicContact CB-CE2 4.27Å; F345-Y385 AromaticContact CD1-CD2 3.66Å; F345-Y385 HydrophobicContact CD1-CD2 3.66Å; F345-Y385 AromaticContact CD1-CE2 3.77Å; F345-Y385 HydrophobicContact CD1-CE2 3.77Å; F345-Y385 HydrophobicContact CE1-CD2 4.24Å; F345-Y385 HydrophobicContact CE1-CE2 4.27Å; F345-Y385 HydrophobicContact CG-CD2 4.24Å; F345-Y385 AromaticContact CG-CE2 3.99Å; F345-Y385 HydrophobicContact CG-CE2 3.99Å; W381-Y385 WeakPolarHBondContact O-CB 3.47Å; W381-Y385 PolarHBondContact O-N 2.87Å; N382-Y385 WeakPolarHBondContact O-CB 3.33Å; N382-Y385 PolarHBondContact O-N 2.8Å; Y383-Y385 VanDerWaalsContact C-N 3.29Å; Y383-Y385 PolarHBondContact O-N 3.34Å; Y385-T389 HydrophobicContact CD2-CG2 3.9Å; Y385-T389 HydrophobicContact CE1-CG2 4.21Å; Y385-T389 HydrophobicContact CE2-CG2 3.57Å; Y385-T389 HydrophobicContact CG-CG2 4.35Å; Y385-T389 WeakPolarHBondContact O-CB 3.49Å; Y385-T389 WeakPolarHBondContact O-CG2 3.33Å; Y385-T389 PolarHBondContact O-N 2.63Å; Y385-T389 PolarHBondContact O-OG1 2.85Å
386L96.8Very high93.8Very high11 Ų1133 Ų336%0.05817%0.172CC..Hα-helixtrans-65.1-44.3-177.8-67167.4000111.9V320 L321 E324 N382 Y383 V384 M390V320-L386 HydrophobicContact CG1-CD1 4.41Å; V320-L386 HydrophobicContact CG1-CD2 3.91Å; L321-L386 HydrophobicContact CD2-CB 4.16Å; L321-L386 HydrophobicContact CD2-CD1 4.03Å; E324-L386 HydrophobicContact CB-CD1 4.36Å; E324-L386 HydrophobicContact CG-CD1 3.74Å; N382-L386 VanDerWaalsContact O-CG 3.3Å; N382-L386 WeakPolarHBondContact O-CG 3.37Å; N382-L386 PolarHBondContact O-N 3.19Å; Y383-L386 HydrophobicContact CD1-CD1 4.25Å; Y383-L386 PolarHBondContact O-N 3.01Å; V384-L386 PolarHBondContact O-N 3.31Å; L386-M390 WeakPolarHBondContact O-CB 3.11Å; L386-M390 WeakPolarHBondContact O-CG 3.49Å; L386-M390 PolarHBondContact O-N 3.34Å
387L98Very high94Very high0 Ų032 Ų320%017%0.168CC..Hα-helixtrans-61.2-46.9178.5-71171.5000111.9L297 V298 F301 L321 V360 V364 Y383 V384 V391L297-L387 HydrophobicContact CD1-CD1 4.5Å; L297-L387 HydrophobicContact CG-CD1 4.48Å; V298-L387 HydrophobicContact CG2-CD2 4.45Å; F301-L387 HydrophobicContact CB-CD1 4.45Å; F301-L387 HydrophobicContact CB-CD2 4.21Å; F301-L387 HydrophobicContact CD1-CB 4.47Å; F301-L387 HydrophobicContact CD1-CD2 3.88Å; F301-L387 HydrophobicContact CD2-CB 4.34Å; F301-L387 HydrophobicContact CD2-CD1 4.38Å; F301-L387 HydrophobicContact CE1-CB 4.29Å; F301-L387 HydrophobicContact CE1-CD2 4.38Å; F301-L387 HydrophobicContact CE2-CB 4.18Å; F301-L387 HydrophobicContact CG-CB 4.47Å; F301-L387 HydrophobicContact CG-CD1 4.37Å; F301-L387 HydrophobicContact CG-CD2 4Å; F301-L387 HydrophobicContact CZ-CB 4.13Å; L321-L387 HydrophobicContact CD1-CD2 4.16Å; V360-L387 HydrophobicContact CG1-CB 4.09Å; V360-L387 HydrophobicContact CG1-CD1 3.85Å; V364-L387 HydrophobicContact CG2-CD1 3.76Å; Y383-L387 WeakPolarHBondContact O-CG 3.48Å; Y383-L387 PolarHBondContact O-N 3.33Å; V384-L387 PolarHBondContact O-N 2.6Å; L387-V391 PolarHBondContact O-N 3.13Å
388I97Very high94.1Very high3 Ų327.8 Ų27.82%0.01515%0.148CC..Hα-helixtrans-69.2-47.1-178.8-68.6175.5000111.2L346 L349 V357 V360 V384 M390 V391 L395L346-I388 HydrophobicContact CD2-CD1 4.11Å; L349-I388 HydrophobicContact CD2-CD1 4.24Å; L349-I388 HydrophobicContact CD2-CG2 3.84Å; V357-I388 HydrophobicContact CG2-CD1 4.15Å; V360-I388 HydrophobicContact CG1-CG1 4.42Å; V360-I388 HydrophobicContact CG2-CD1 4.49Å; V360-I388 HydrophobicContact CG2-CG1 4.27Å; V384-I388 HydrophobicContact CG1-CD1 3.74Å; V384-I388 WeakPolarHBondContact O-CB 3.39Å; V384-I388 WeakPolarHBondContact O-CG1 3.39Å; V384-I388 PolarHBondContact O-N 3.01Å; V384-I388 VanDerWaalsContact O-N 3.08Å; I388-M390 PolarHBondContact O-N 3.19Å; I388-V391 CarbonylContact O-C 3.47Å; I388-V391 PolarHBondContact O-N 2.95Å; I388-V391 VanDerWaalsContact O-O 3.06Å; I388-L395 HydrophobicContact CD1-CD2 4.46Å; I388-L395 HydrophobicContact CG2-CD1 4.37Å; I388-L395 HydrophobicContact CG2-CD2 3.96Å; I388-L395 HydrophobicContact CG2-CG 4.18Å
389T96.1Very high94Very high43 Ų4326.3 Ų26.326%0.26414%0.141SC..Hα-helixtrans-73.3-29.1-17454.80000113.3F345 Y385 V391 P392F345-T389 HydrophobicContact CE1-CG2 3.79Å; F345-T389 HydrophobicContact CZ-CG2 3.98Å; Y385-T389 HydrophobicContact CD2-CG2 3.9Å; Y385-T389 HydrophobicContact CE1-CG2 4.21Å; Y385-T389 HydrophobicContact CE2-CG2 3.57Å; Y385-T389 HydrophobicContact CG-CG2 4.35Å; Y385-T389 WeakPolarHBondContact O-CB 3.49Å; Y385-T389 WeakPolarHBondContact O-CG2 3.33Å; Y385-T389 PolarHBondContact O-N 2.63Å; Y385-T389 PolarHBondContact O-OG1 2.85Å; T389-V391 VanDerWaalsContact C-N 3.34Å; T389-P392 WeakPolarHBondContact O-CG 3.41Å
390M95.7Very high93.7Very high52 Ų5229 Ų2926%0.25616%0.16SC..Hα-helixtrans-80-17176.1-68.5-69.4-64.900113.4K313 E316 L317 V320 L386 I388K313-M390 WeakPolarHBondContact CE-O 3.25Å; K313-M390 PolarHBondContact NZ-O 2.79Å; E316-M390 HydrophobicContact CG-CE 4.28Å; E316-M390 WeakPolarHBondContact OE1-CE 3.09Å; L317-M390 HydrophobicContact CD2-CB 3.3Å; L317-M390 HydrophobicContact CD2-CG 4.03Å; V320-M390 HydrophobicContact CG2-CE 3.96Å; L386-M390 WeakPolarHBondContact O-CB 3.11Å; L386-M390 WeakPolarHBondContact O-CG 3.49Å; L386-M390 PolarHBondContact O-N 3.34Å; I388-M390 PolarHBondContact O-N 3.19Å
391V96.4Very high93.2Very high0 Ų030.7 Ų30.70%017%0.172CC..SBendtrans-129.973.4172.6-171.50000109F301 L309 L317 L387 I388 T389 Q393 S394F301-V391 HydrophobicContact CE1-CB 4.12Å; F301-V391 HydrophobicContact CE1-CG2 3.94Å; F301-V391 HydrophobicContact CZ-CB 4.39Å; L309-V391 HydrophobicContact CD1-CG2 4.13Å; L309-V391 HydrophobicContact CD2-CG1 3.61Å; L309-V391 HydrophobicContact CD2-CG2 4.11Å; L317-V391 HydrophobicContact CD1-CG2 3.83Å; L317-V391 HydrophobicContact CD2-CG2 4.21Å; L387-V391 PolarHBondContact O-N 3.13Å; I388-V391 CarbonylContact O-C 3.47Å; I388-V391 PolarHBondContact O-N 2.95Å; I388-V391 VanDerWaalsContact O-O 3.06Å; T389-V391 VanDerWaalsContact C-N 3.34Å; V391-Q393 HydrophobicContact CG1-CG 4.09Å; V391-Q393 PolarHBondContact O-N 2.65Å; V391-Q393 VanDerWaalsContact O-N 3.13Å; V391-S394 WeakPolarHBondContact O-CB 3.21Å; V391-S394 PolarHBondContact O-N 3.12Å; V391-S394 PolarHBondContact O-OG 3.34Å
392P91.8Very high92.8Very high87 Ų8731 Ų3157%0.56518%0.176SC*.THydrogen-bonded Turntrans-57-33.1-174.9-2735.9000114T389 S394T389-P392 WeakPolarHBondContact O-CG 3.41Å; P392-S394 PolarHBondContact O-N 3.23Å
393Q91.9Very high92.5Very high99 Ų9937.3 Ų37.346%0.46320%0.2SC..THydrogen-bonded Turntrans-67.4-12.2175.970.1-90.527.100113.9V391 L395 T396 L397V391-Q393 HydrophobicContact CG1-CG 4.09Å; V391-Q393 PolarHBondContact O-N 2.65Å; V391-Q393 VanDerWaalsContact O-N 3.13Å; Q393-L395 PolarHBondContact O-N 3.23Å; Q393-T396 PolarHBondContact O-N 3.48Å; Q393-L397 HydrophobicContact CG-CD1 3.81Å; Q393-L397 WeakPolarHBondContact O-CG 3.48Å; Q393-L397 PolarHBondContact O-N 2.91Å
394S94Very high92.3Very high0 Ų040.3 Ų40.30%022%0.219CC..Hα-helixtrans-56.8-34.8178.461.10000111.8V391 P392 L397 L398V391-S394 WeakPolarHBondContact O-CB 3.21Å; V391-S394 PolarHBondContact O-N 3.12Å; V391-S394 PolarHBondContact O-OG 3.34Å; P392-S394 PolarHBondContact O-N 3.23Å; S394-L397 PolarHBondContact O-N 3.22Å; S394-L398 VanDerWaalsContact O-CB 3.25Å; S394-L398 WeakPolarHBondContact O-CB 3.39Å; S394-L398 WeakPolarHBondContact O-CD1 3.33Å; S394-L398 WeakPolarHBondContact O-CG 3.25Å; S394-L398 PolarHBondContact O-N 3.01Å
395L92.1Very high92.1Very high22 Ų2240.4 Ų40.412%0.11522%0.22CC..Hα-helixtrans-59-52.4177.6-63.4177.6000111.2L349 H353 A356 I388 Q393 L398 A399 Y430L349-L395 HydrophobicContact CD1-CD1 3.82Å; L349-L395 HydrophobicContact CD2-CD1 4.25Å; L349-L395 HydrophobicContact CD2-CD2 4.2Å; H353-L395 HydrophobicContact CB-CD2 4.26Å; A356-L395 HydrophobicContact CB-CD2 3.84Å; I388-L395 HydrophobicContact CD1-CD2 4.46Å; I388-L395 HydrophobicContact CG2-CD1 4.37Å; I388-L395 HydrophobicContact CG2-CD2 3.96Å; I388-L395 HydrophobicContact CG2-CG 4.18Å; Q393-L395 PolarHBondContact O-N 3.23Å; L395-L398 PolarHBondContact O-N 3Å; L395-A399 PolarHBondContact O-N 2.99Å; L395-A399 VanDerWaalsContact O-N 3.12Å; L395-Y430 HydrophobicContact CB-CE2 4.26Å; L395-Y430 VanDerWaalsContact O-CE2 3.25Å; L395-Y430 WeakPolarHBondContact O-CE2 3.35Å; L395-Y430 PolarHBondContact O-OH 3.02Å
396T88.5Confident92.1Very high96 Ų9642.7 Ų42.759%0.58923%0.231SC*.Hα-helixtrans-64.4-40.8178.2-49.40000111.8Q393 A399 S400Q393-T396 PolarHBondContact O-N 3.48Å; T396-A399 WeakPolarHBondContact O-CB 3.3Å; T396-A399 PolarHBondContact O-N 2.94Å; T396-S400 PolarHBondContact O-N 3.34Å
397L91.6Very high92.1Very high36 Ų3642.1 Ų42.119%0.18823%0.228CC..Hα-helixtrans-65.9-37.1178.4-68.3171.6000112.6L305 F307 Q393 S394 A399 S400 C401L305-L397 HydrophobicContact CB-CD1 4.44Å; L305-L397 HydrophobicContact CD1-CD1 4.49Å; L305-L397 HydrophobicContact CD2-CB 4.09Å; F307-L397 HydrophobicContact CB-CD1 4.06Å; F307-L397 HydrophobicContact CB-CD2 4.04Å; F307-L397 HydrophobicContact CD1-CD1 4.26Å; F307-L397 HydrophobicContact CG-CD1 4.43Å; Q393-L397 HydrophobicContact CG-CD1 3.81Å; Q393-L397 WeakPolarHBondContact O-CG 3.48Å; Q393-L397 PolarHBondContact O-N 2.91Å; S394-L397 PolarHBondContact O-N 3.22Å; L397-A399 VanDerWaalsContact C-N 3.34Å; L397-S400 PolarHBondContact O-OG 2.87Å; L397-C401 PolarHBondContact O-SG 2.95Å
398L92Very high91.9Very high2 Ų242.1 Ų42.11%0.0123%0.228CC..Hα-helixtrans-69.9-33.9176.6-73.8166.5000111.7L304 L305 A356 K359 V360 S394 L395L304-L398 HydrophobicContact CB-CD2 3.66Å; L304-L398 HydrophobicContact CD1-CD2 4.34Å; L305-L398 HydrophobicContact CD2-CD2 4.09Å; L305-L398 HydrophobicContact CD2-CG 3.93Å; A356-L398 HydrophobicContact CB-CB 4.09Å; A356-L398 HydrophobicContact CB-CD1 3.91Å; K359-L398 HydrophobicContact CD-CD2 4.29Å; K359-L398 PolarHBondContact NZ-O 3.03Å; V360-L398 HydrophobicContact CG2-CD1 3.68Å; S394-L398 VanDerWaalsContact O-CB 3.25Å; S394-L398 WeakPolarHBondContact O-CB 3.39Å; S394-L398 WeakPolarHBondContact O-CD1 3.33Å; S394-L398 WeakPolarHBondContact O-CG 3.25Å; S394-L398 PolarHBondContact O-N 3.01Å; L395-L398 PolarHBondContact O-N 3Å
399A87.9Confident91.7Very high4 Ų442 Ų423%0.03323%0.227CC..Hα-helixtrans-66.9-45175.100000110.9L395 T396 L397 C401 D402 Y430 N432L395-A399 PolarHBondContact O-N 2.99Å; L395-A399 VanDerWaalsContact O-N 3.12Å; T396-A399 WeakPolarHBondContact O-CB 3.3Å; T396-A399 PolarHBondContact O-N 2.94Å; L397-A399 VanDerWaalsContact C-N 3.34Å; A399-C401 PolarHBondContact O-N 2.92Å; A399-D402 VanDerWaalsContact O-CB 3.31Å; A399-D402 WeakPolarHBondContact O-CB 3.42Å; A399-D402 PolarHBondContact O-N 3.42Å; A399-Y430 HydrophobicContact CB-CD2 4.47Å; A399-Y430 HydrophobicContact CB-CE1 4.26Å; A399-Y430 HydrophobicContact CB-CE2 3.6Å; A399-Y430 VanDerWaalsContact CB-CZ 3.48Å; A399-Y430 WeakPolarHBondContact CB-OH 3.49Å; A399-N432 VanDerWaalsContact O-CB 3.24Å; A399-N432 WeakPolarHBondContact O-CB 3.36Å
400S86Confident91.3Very high59 Ų5940.6 Ų40.641%0.41322%0.218SC..THydrogen-bonded Turntrans-65.9-12.5-178.770.30000113.9T396 L397T396-S400 PolarHBondContact O-N 3.34Å; L397-S400 PolarHBondContact O-OG 2.87Å
401C83.4Confident90.8Very high48 Ų4839.1 Ų39.132%0.32421%0.213SC..THydrogen-bonded Turntrans-81.2-14.7171.2-59.60000113.3N306 L397 A399N306-C401 PolarHBondContact ND2-SG 2.86Å; L397-C401 PolarHBondContact O-SG 2.95Å; A399-C401 PolarHBondContact O-N 2.92Å
402D84.9Confident90Very high36 Ų3645.7 Ų45.719%0.19324%0.244CC..SBendtrans-75.9161.8176-67-41.2000111.3K359 A399 N432K359-D402 WeakPolarHBondContact CE-OD1 3.38Å; K359-D402 IonicContact NZ-OD1 3.31Å; K359-D402 PolarHBondContact NZ-OD1 3.44Å; K359-D402 IonicContact NZ-OD2 2.84Å; K359-D402 PolarHBondContact NZ-OD2 3.38Å; A399-D402 VanDerWaalsContact O-CB 3.31Å; A399-D402 WeakPolarHBondContact O-CB 3.42Å; A399-D402 PolarHBondContact O-N 3.42Å; D402-N432 PolarHBondContact O-ND2 2.93Å
403R88Confident89.6Confident136 Ų13643.4 Ų43.451%0.51323%0.226SC..PPolyproline II helixtrans-62137.1173.470.1-174.3-174.492.6-1109.4L405 D456R403-L405 PolarHBondContact O-N 3.28Å; R403-D456 IonicContact CZ-OD1 3.53Å; R403-D456 VanDerWaalsContact CZ-OD1 3.31Å; R403-D456 IonicContact NH1-OD1 3.67Å; R403-D456 PolarHBondContact NH1-OD1 2.9Å; R403-D456 IonicContact NH1-OD2 3.24Å; R403-D456 IonicContact NH2-OD1 3.7Å; R403-D456 PolarHBondContact NH2-OD1 2.81Å
404P91.7Very high89.3Confident64 Ų6440.7 Ų40.742%0.41622%0.218SC..PPolyproline II helixtrans-65.8120174.226.7-32.5000109.4N432P404-N432 WeakPolarHBondContact CA-O 3.38Å
405L94.6Very high88.9Confident2 Ų246 Ų461%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-76.2141172.8-58.3173.1000110R403 L407 N432 F433 E434 D456 V492 L495 A496R403-L405 PolarHBondContact O-N 3.28Å; L405-L407 HydrophobicContact CB-CD2 4.2Å; L405-N432 PolarHBondContact N-O 3.22Å; L405-F433 HydrophobicContact CB-CB 3.83Å; L405-F433 CarbonylContact O-C 3.45Å; L405-F433 WeakPolarHBondContact O-CA 3.43Å; L405-F433 WeakPolarHBondContact O-CB 3.47Å; L405-E434 PolarHBondContact O-N 2.94Å; L405-D456 WeakPolarHBondContact CA-OD2 3.42Å; L405-D456 HydrophobicContact CB-CB 4.39Å; L405-D456 HydrophobicContact CD2-CB 4.23Å; L405-V492 HydrophobicContact CD1-CG1 4.23Å; L405-L495 HydrophobicContact CD1-CB 3.62Å; L405-L495 HydrophobicContact CD2-CB 4.03Å; L405-L495 HydrophobicContact CG-CB 4.49Å; L405-A496 HydrophobicContact CD1-CB 4.48Å
406K95.9Very high88.6Confident96 Ų9650.1 Ų50.142%0.41728%0.279SS..EExtended strand (participates in β ladder)trans-100.5105.7175.6-63.4-174177.6179.70109.4Y455 D456K406-Y455 HydrophobicContact CB-CD1 4.06Å; K406-Y455 CarbonylContact O-C 3.6Å; K406-Y455 WeakPolarHBondContact O-CA 3.35Å; K406-Y455 WeakPolarHBondContact O-CB 3.33Å; K406-D456 PolarHBondContact N-OD2 3.13Å; K406-D456 PolarHBondContact O-N 2.98Å
407L96.2Very high88.6Confident0 Ų050.4 Ų50.40%027%0.274CS..EExtended strand (participates in β ladder)trans-98.9123.2-179.8-50.7-177.3000109L405 F433 E434 H436 A457 I459 V492L405-L407 HydrophobicContact CB-CD2 4.2Å; L407-F433 HydrophobicContact CD1-CB 3.91Å; L407-F433 HydrophobicContact CD1-CD1 4.42Å; L407-F433 HydrophobicContact CD1-CD2 3.43Å; L407-F433 VanDerWaalsContact CD1-CD2 3.43Å; L407-F433 HydrophobicContact CD1-CE2 4.07Å; L407-F433 HydrophobicContact CD1-CG 3.66Å; L407-F433 HydrophobicContact CG-CB 4.05Å; L407-F433 HydrophobicContact CG-CD2 4.17Å; L407-F433 HydrophobicContact CG-CG 4.31Å; L407-E434 PolarHBondContact N-O 3.49Å; L407-H436 PolarHBondContact O-N 3.32Å; L407-A457 HydrophobicContact CD2-CB 3.81Å; L407-I459 HydrophobicContact CB-CD1 4.12Å; L407-I459 HydrophobicContact CD1-CD1 4.05Å; L407-V492 HydrophobicContact CD1-CG2 3.91Å
408L94.1Very high88.5Confident0 Ų050.3 Ų50.30%027%0.272CS..EExtended strand (participates in β ladder)trans-86123.1173.6-175.761.9000109.8L410 V438 I447 L452 Y455 A457 L458 I459L408-L410 HydrophobicContact CD1-CD2 4.37Å; L408-L410 HydrophobicContact CD2-CD1 4.01Å; L408-L410 HydrophobicContact CD2-CD2 4.13Å; L408-L410 HydrophobicContact CD2-CG 3.92Å; L408-L410 HydrophobicContact CG-CD2 4.18Å; L408-L410 HydrophobicContact CG-CG 3.98Å; L408-V438 HydrophobicContact CD1-CG2 3.94Å; L408-V438 HydrophobicContact CD2-CG2 4.46Å; L408-I447 HydrophobicContact CD2-CD1 3.21Å; L408-L452 HydrophobicContact CD2-CD2 4.49Å; L408-Y455 HydrophobicContact CB-CD1 3.94Å; L408-Y455 HydrophobicContact CB-CD2 3.9Å; L408-Y455 HydrophobicContact CB-CE1 4.4Å; L408-Y455 HydrophobicContact CB-CE2 4.33Å; L408-Y455 HydrophobicContact CB-CG 3.68Å; L408-Y455 HydrophobicContact CD1-CD1 4.43Å; L408-Y455 HydrophobicContact CD1-CD2 4.29Å; L408-Y455 HydrophobicContact CD1-CE1 4.04Å; L408-Y455 HydrophobicContact CD1-CE2 3.85Å; L408-Y455 HydrophobicContact CD2-CD2 3.86Å; L408-Y455 HydrophobicContact CD2-CE2 3.9Å; L408-Y455 HydrophobicContact CD2-CG 4.49Å; L408-Y455 HydrophobicContact CG-CD2 4.24Å; L408-Y455 HydrophobicContact CG-CE2 4.25Å; L408-Y455 HydrophobicContact CG-CG 4.46Å; L408-A457 PolarHBondContact N-O 3.29Å; L408-L458 HydrophobicContact CB-CD1 4.35Å; L408-L458 HydrophobicContact CD2-CD1 4.16Å; L408-L458 HydrophobicContact CG-CD1 4.24Å; L408-I459 PolarHBondContact O-N 3.3Å
409L92.9Very high88.4Confident0 Ų056.6 Ų56.60%030%0.3CS..EExtended strand (participates in β ladder)trans-98.8118.9168.8-179.858.8000109.6E418 L421 I425 V435 H436 Y437 I459L409-E418 HydrophobicContact CD2-CG 4.13Å; L409-E418 HydrophobicContact CG-CG 4.26Å; L409-L421 HydrophobicContact CD1-CD2 4.23Å; L409-L421 HydrophobicContact CD2-CB 4.35Å; L409-L421 HydrophobicContact CD2-CD2 4.44Å; L409-L421 HydrophobicContact CD2-CG 4.29Å; L409-I425 HydrophobicContact CD1-CD1 4.38Å; L409-I425 HydrophobicContact CD2-CD1 4.32Å; L409-V435 HydrophobicContact CB-CG1 3.72Å; L409-V435 HydrophobicContact CD2-CG1 4.19Å; L409-H436 PolarHBondContact N-O 2.8Å; L409-Y437 HydrophobicContact CB-CE1 4.49Å; L409-Y437 HydrophobicContact CD2-CE1 3.95Å; L409-I459 CarbonylContact C-O 3.39Å; L409-I459 WeakPolarHBondContact CA-O 3.44Å; L409-I459 HydrophobicContact CD1-CB 3.98Å; L409-I459 HydrophobicContact CD1-CG2 3.68Å
410L87.8Confident88.5Confident13 Ų1361.5 Ų61.57%0.06832%0.32CS..EExtended strand (participates in β ladder)trans-120.3114.6173.8-66.7-177.4000110.6L408 V438 I447 L458 I459 T460 S461L408-L410 HydrophobicContact CD1-CD2 4.37Å; L408-L410 HydrophobicContact CD2-CD1 4.01Å; L408-L410 HydrophobicContact CD2-CD2 4.13Å; L408-L410 HydrophobicContact CD2-CG 3.92Å; L408-L410 HydrophobicContact CG-CD2 4.18Å; L408-L410 HydrophobicContact CG-CG 3.98Å; L410-V438 HydrophobicContact CD2-CB 4.21Å; L410-V438 HydrophobicContact CD2-CG2 3.41Å; L410-V438 VanDerWaalsContact CD2-CG2 3.41Å; L410-I447 HydrophobicContact CD1-CB 4.25Å; L410-I447 HydrophobicContact CD1-CD1 3.8Å; L410-I447 HydrophobicContact CD1-CG2 4.34Å; L410-L458 HydrophobicContact CB-CD1 3.98Å; L410-L458 HydrophobicContact CD1-CD1 3.58Å; L410-L458 HydrophobicContact CG-CD1 3.65Å; L410-I459 PolarHBondContact N-O 3.2Å; L410-T460 WeakPolarHBondContact O-CA 3.48Å; L410-T460 VanDerWaalsContact O-CB 3.25Å; L410-T460 WeakPolarHBondContact O-CB 3.42Å; L410-T460 PolarHBondContact O-OG1 2.84Å; L410-S461 PolarHBondContact O-N 2.78Å
411S84.2Confident88.8Confident21 Ų2158.8 Ų58.815%0.14730%0.301CS..  trans-130.7157.3176.673.90000112.4L413 E418 S461S411-L413 PolarHBondContact O-N 2.97Å; S411-L413 WeakPolarHBondContact OG-CB 3.44Å; S411-L413 PolarHBondContact OG-N 3.37Å; S411-E418 PolarHBondContact N-OE1 3.18Å; S411-E418 WeakPolarHBondContact OG-CB 3.4Å; S411-E418 VanDerWaalsContact OG-CG 3.28Å; S411-E418 WeakPolarHBondContact OG-CG 3.5Å; S411-E418 PolarHBondContact OG-OE1 3.11Å; S411-S461 WeakPolarHBondContact CA-OG 3.35Å; S411-S461 WeakPolarHBondContact CB-OG 3.43Å
412E81Confident89.3Confident139 Ų13956.5 Ų56.565%0.6529%0.286SS*.SBendtrans-83.38.1168.1-77.3175-143.900112.4V445 S461 S462E412-V445 HydrophobicContact CG-CG2 4.16Å; E412-S461 PolarHBondContact N-OG 2.98Å; E412-S462 WeakPolarHBondContact CG-OG 3.46Å; E412-S462 WeakPolarHBondContact OE1-CB 3.16Å; E412-S462 PolarHBondContact OE1-OG 3.31Å
413L83Confident89.6Confident39 Ų3956.6 Ų56.620%0.20429%0.289CS..SBendtrans-75.9165.8-175.5-55.8174.1000111.6S411 E417 L421 P478S411-L413 PolarHBondContact O-N 2.97Å; S411-L413 WeakPolarHBondContact OG-CB 3.44Å; S411-L413 PolarHBondContact OG-N 3.37Å; L413-E417 HydrophobicContact CB-CB 3.79Å; L413-E417 HydrophobicContact CD1-CB 4.26Å; L413-L421 HydrophobicContact CD1-CD2 4.01Å; L413-P478 HydrophobicContact CD1-CB 4.19Å; L413-P478 HydrophobicContact CD2-CB 3.76Å; L413-P478 HydrophobicContact CD2-CG 4.09Å
414S85.8Confident89.8Confident42 Ų4252.3 Ų52.329%0.29428%0.275SS..  trans-61.5151.9168.467.30000110.4T416 E417 E418S414-T416 PolarHBondContact O-N 2.9Å; S414-T416 PolarHBondContact OG-OG1 3.04Å; S414-E417 VanDerWaalsContact CB-OE2 3.3Å; S414-E417 WeakPolarHBondContact CB-OE2 3.35Å; S414-E417 PolarHBondContact N-OE2 2.97Å; S414-E417 PolarHBondContact O-N 3.42Å; S414-E417 WeakPolarHBondContact OG-CB 3.25Å; S414-E417 VanDerWaalsContact OG-CD 3.23Å; S414-E417 VanDerWaalsContact OG-CG 3.27Å; S414-E417 WeakPolarHBondContact OG-CG 3.3Å; S414-E417 PolarHBondContact OG-N 2.86Å; S414-E417 PolarHBondContact OG-OE2 3.32Å; S414-E418 PolarHBondContact O-N 3.24Å
415P84.7Confident89.9Confident111 Ų11149.3 Ų49.372%0.72126%0.255SS*.Hα-helixtrans-54.3-30.3178.2-28.635.4000114.1F419P415-F419 VanDerWaalsContact O-CB 3.3Å; P415-F419 WeakPolarHBondContact O-CB 3.43Å; P415-F419 PolarHBondContact O-N 3.35Å; P415-F419 VanDerWaalsContact O-N 3.09Å
416T87.1Confident89.9Confident109 Ų10953.6 Ų53.667%0.66928%0.275SS*.Hα-helixtrans-71.2-38.2175.7410000113.2S414 F420S414-T416 PolarHBondContact O-N 2.9Å; S414-T416 PolarHBondContact OG-OG1 3.04Å; T416-F420 WeakPolarHBondContact O-CB 3.42Å; T416-F420 PolarHBondContact O-N 3.17Å; T416-F420 VanDerWaalsContact O-N 3.08Å
417E87.9Confident89.6Confident102 Ų10254.8 Ų54.848%0.47729%0.287SS..Hα-helixtrans-75.5-39.2177.5-73.4164.3142.700111.1L413 S414 F420 L421L413-E417 HydrophobicContact CB-CB 3.79Å; L413-E417 HydrophobicContact CD1-CB 4.26Å; S414-E417 VanDerWaalsContact CB-OE2 3.3Å; S414-E417 WeakPolarHBondContact CB-OE2 3.35Å; S414-E417 PolarHBondContact N-OE2 2.97Å; S414-E417 PolarHBondContact O-N 3.42Å; S414-E417 WeakPolarHBondContact OG-CB 3.25Å; S414-E417 VanDerWaalsContact OG-CD 3.23Å; S414-E417 VanDerWaalsContact OG-CG 3.27Å; S414-E417 WeakPolarHBondContact OG-CG 3.3Å; S414-E417 PolarHBondContact OG-N 2.86Å; S414-E417 PolarHBondContact OG-OE2 3.32Å; E417-F420 WeakPolarHBondContact O-CB 3.42Å; E417-F420 PolarHBondContact O-N 2.73Å; E417-L421 WeakPolarHBondContact O-CB 3.31Å; E417-L421 PolarHBondContact O-N 3.23Å
418E89.3Confident89.3Confident33 Ų3359 Ų5915%0.15431%0.306CS..Hα-helixtrans-62.1-46.3175.1-174.6171.9-107.500111.4L409 S411 S414 F420 L421 G422 Y437L409-E418 HydrophobicContact CD2-CG 4.13Å; L409-E418 HydrophobicContact CG-CG 4.26Å; S411-E418 PolarHBondContact N-OE1 3.18Å; S411-E418 WeakPolarHBondContact OG-CB 3.4Å; S411-E418 VanDerWaalsContact OG-CG 3.28Å; S411-E418 WeakPolarHBondContact OG-CG 3.5Å; S411-E418 PolarHBondContact OG-OE1 3.11Å; S414-E418 PolarHBondContact O-N 3.24Å; E418-F420 VanDerWaalsContact C-N 3.34Å; E418-F420 PolarHBondContact O-N 3.17Å; E418-L421 PolarHBondContact O-N 2.95Å; E418-G422 PolarHBondContact O-N 2.74Å; E418-Y437 HydrophobicContact CG-CD1 3.79Å; E418-Y437 HydrophobicContact CG-CE1 3.92Å
419F89.1Confident89.2Confident135 Ų13559.5 Ų59.559%0.59231%0.309SS*.Hα-helixtrans-63.6-39.4175-176.1-96.9000112.2P415 G422 S423P415-F419 VanDerWaalsContact O-CB 3.3Å; P415-F419 WeakPolarHBondContact O-CB 3.43Å; P415-F419 PolarHBondContact O-N 3.35Å; P415-F419 VanDerWaalsContact O-N 3.09Å; F419-G422 PolarHBondContact O-N 3.38Å; F419-S423 PolarHBondContact O-N 2.72Å
420F90.7Very high89Confident107 Ų10761.3 Ų61.347%0.46932%0.316SS..Hα-helixtrans-61.7-44.4174.1175.4-98.1000111.5T416 E417 E418 S423 Q424T416-F420 WeakPolarHBondContact O-CB 3.42Å; T416-F420 PolarHBondContact O-N 3.17Å; T416-F420 VanDerWaalsContact O-N 3.08Å; E417-F420 WeakPolarHBondContact O-CB 3.42Å; E417-F420 PolarHBondContact O-N 2.73Å; E418-F420 VanDerWaalsContact C-N 3.34Å; E418-F420 PolarHBondContact O-N 3.17Å; F420-S423 PolarHBondContact O-N 2.75Å; F420-Q424 HydrophobicContact CD1-CG 4.24Å; F420-Q424 HydrophobicContact CE1-CG 3.79Å; F420-Q424 HydrophobicContact CE2-CG 4.43Å; F420-Q424 HydrophobicContact CZ-CG 3.9Å; F420-Q424 WeakPolarHBondContact O-CG 3.42Å; F420-Q424 PolarHBondContact O-N 2.88Å
421L92.3Very high89.1Confident2 Ų262 Ų621%0.0133%0.327CS..Hα-helixtrans-62.2-46.1177.8-177.659.4000111.5L409 L413 E417 E418 S423 Q424 I425 I476 L480L409-L421 HydrophobicContact CD1-CD2 4.23Å; L409-L421 HydrophobicContact CD2-CB 4.35Å; L409-L421 HydrophobicContact CD2-CD2 4.44Å; L409-L421 HydrophobicContact CD2-CG 4.29Å; L413-L421 HydrophobicContact CD1-CD2 4.01Å; E417-L421 WeakPolarHBondContact O-CB 3.31Å; E417-L421 PolarHBondContact O-N 3.23Å; E418-L421 PolarHBondContact O-N 2.95Å; L421-S423 VanDerWaalsContact C-N 3.32Å; L421-S423 PolarHBondContact O-N 3.16Å; L421-Q424 WeakPolarHBondContact O-CB 3.32Å; L421-Q424 PolarHBondContact O-N 3.49Å; L421-Q424 VanDerWaalsContact O-N 3.1Å; L421-I425 HydrophobicContact CG-CD1 4.3Å; L421-I425 WeakPolarHBondContact O-CG1 3.31Å; L421-I425 PolarHBondContact O-N 3.11Å; L421-I476 HydrophobicContact CD1-CD1 4.09Å; L421-I476 HydrophobicContact CD2-CD1 3.86Å; L421-I476 HydrophobicContact CG-CD1 4.15Å; L421-L480 HydrophobicContact CD1-CB 4.39Å
422G93.6Very high89.4Confident0 Ų063.2 Ų63.20%033%0.331CS..Hα-helixtrans-58.5-42.8174.400000112.6E418 F419 Q424 I425 E426 Y437E418-G422 PolarHBondContact O-N 2.74Å; F419-G422 PolarHBondContact O-N 3.38Å; G422-Q424 VanDerWaalsContact C-N 3.34Å; G422-Q424 PolarHBondContact O-N 3.37Å; G422-I425 WeakPolarHBondContact O-CB 3.19Å; G422-I425 PolarHBondContact O-N 3.24Å; G422-I425 VanDerWaalsContact O-N 3.17Å; G422-E426 WeakPolarHBondContact O-CG 3.24Å; G422-E426 PolarHBondContact O-N 3.4Å; G422-Y437 WeakPolarHBondContact CA-OH 3.27Å
423S91.7Very high90Very high38 Ų3857.7 Ų57.727%0.26631%0.305SS..Hα-helixtrans-64.6-35174.5-171.30000112.9F419 F420 L421 I425 N427F419-S423 PolarHBondContact O-N 2.72Å; F420-S423 PolarHBondContact O-N 2.75Å; L421-S423 VanDerWaalsContact C-N 3.32Å; L421-S423 PolarHBondContact O-N 3.16Å; S423-I425 VanDerWaalsContact C-N 3.35Å; S423-N427 WeakPolarHBondContact O-CB 3.46Å; S423-N427 VanDerWaalsContact O-CG 3.24Å; S423-N427 PolarHBondContact O-N 2.94Å; S423-N427 VanDerWaalsContact O-N 3.09Å; S423-N427 PolarHBondContact O-ND2 2.71Å; S423-N427 PolarHBondContact OG-ND2 2.91Å
424Q92.2Very high90.5Very high45 Ų4560.5 Ų60.521%0.2132%0.317CS..Hα-helixtrans-63.9-41.7172.6-70.5-61.7-49.500111.5F420 L421 G422 N427 Q428F420-Q424 HydrophobicContact CD1-CG 4.24Å; F420-Q424 HydrophobicContact CE1-CG 3.79Å; F420-Q424 HydrophobicContact CE2-CG 4.43Å; F420-Q424 HydrophobicContact CZ-CG 3.9Å; F420-Q424 WeakPolarHBondContact O-CG 3.42Å; F420-Q424 PolarHBondContact O-N 2.88Å; L421-Q424 WeakPolarHBondContact O-CB 3.32Å; L421-Q424 PolarHBondContact O-N 3.49Å; L421-Q424 VanDerWaalsContact O-N 3.1Å; G422-Q424 VanDerWaalsContact C-N 3.34Å; G422-Q424 PolarHBondContact O-N 3.37Å; Q424-N427 PolarHBondContact O-N 2.73Å; Q424-Q428 WeakPolarHBondContact O-CB 3.39Å; Q424-Q428 WeakPolarHBondContact O-CG 3.33Å; Q424-Q428 PolarHBondContact O-N 3.2Å
425I94.6Very high91Very high1 Ų159 Ų591%0.00531%0.307CS..Hα-helixtrans-61.5-50.6177.5-66164.9000110.2L409 L421 G422 S423 N427 Q428 I429 F433 V435 I459 I476 L480 L488L409-I425 HydrophobicContact CD1-CD1 4.38Å; L409-I425 HydrophobicContact CD2-CD1 4.32Å; L421-I425 HydrophobicContact CG-CD1 4.3Å; L421-I425 WeakPolarHBondContact O-CG1 3.31Å; L421-I425 PolarHBondContact O-N 3.11Å; G422-I425 WeakPolarHBondContact O-CB 3.19Å; G422-I425 PolarHBondContact O-N 3.24Å; G422-I425 VanDerWaalsContact O-N 3.17Å; S423-I425 VanDerWaalsContact C-N 3.35Å; I425-N427 VanDerWaalsContact C-N 3.26Å; I425-N427 PolarHBondContact O-N 3.07Å; I425-Q428 PolarHBondContact O-N 2.95Å; I425-I429 HydrophobicContact CG2-CG1 4Å; I425-I429 WeakPolarHBondContact O-CB 3.36Å; I425-I429 WeakPolarHBondContact O-CG1 3.42Å; I425-I429 PolarHBondContact O-N 3.04Å; I425-F433 HydrophobicContact CG2-CE2 3.96Å; I425-F433 HydrophobicContact CG2-CZ 4.24Å; I425-V435 HydrophobicContact CG2-CG2 4.18Å; I425-I459 HydrophobicContact CD1-CD1 4.13Å; I425-I459 HydrophobicContact CD1-CG2 4.16Å; I425-I459 HydrophobicContact CG2-CD1 4.34Å; I425-I476 HydrophobicContact CD1-CD1 4.05Å; I425-L480 HydrophobicContact CG1-CD1 4.29Å; I425-L488 HydrophobicContact CD1-CD1 4.18Å; I425-L488 HydrophobicContact CG1-CD1 3.85Å; I425-L488 HydrophobicContact CG2-CD1 4.25Å
426E92.9Very high91.4Very high92 Ų9256.2 Ų56.243%0.4328%0.284SS..Hα-helixtrans-60.7-33.2179.1-69.9176.9158.800113.2G422 F433 V435G422-E426 WeakPolarHBondContact O-CG 3.24Å; G422-E426 PolarHBondContact O-N 3.4Å; E426-F433 HydrophobicContact CG-CE2 4.16Å; E426-V435 HydrophobicContact CG-CB 4.36Å; E426-V435 HydrophobicContact CG-CG2 3.7Å
427N90.5Very high91.5Very high122 Ų12254 Ų5465%0.65226%0.264SS*.Hα-helixtrans-83.1-25.6-179.1-74.8-47000114.1S423 Q424 I425S423-N427 WeakPolarHBondContact O-CB 3.46Å; S423-N427 VanDerWaalsContact O-CG 3.24Å; S423-N427 PolarHBondContact O-N 2.94Å; S423-N427 VanDerWaalsContact O-N 3.09Å; S423-N427 PolarHBondContact O-ND2 2.71Å; S423-N427 PolarHBondContact OG-ND2 2.91Å; Q424-N427 PolarHBondContact O-N 2.73Å; I425-N427 VanDerWaalsContact C-N 3.26Å; I425-N427 PolarHBondContact O-N 3.07Å
428Q90.8Very high91.1Very high88 Ų8851.1 Ų51.141%0.41125%0.252SS..Hα-helixtrans-107.1-26.7-172.3-65.5-169.34500114Q424 I425 L480Q424-Q428 WeakPolarHBondContact O-CB 3.39Å; Q424-Q428 WeakPolarHBondContact O-CG 3.33Å; Q424-Q428 PolarHBondContact O-N 3.2Å; I425-Q428 PolarHBondContact O-N 2.95Å; Q428-L480 HydrophobicContact CB-CD2 4.37Å
429I91.4Very high90Very high10 Ų1059 Ų595%0.05129%0.29CS..SBendtrans-93.6129.2-177.1-52-55.8000110I425 F433 V485 L488 V492I425-I429 HydrophobicContact CG2-CG1 4Å; I425-I429 WeakPolarHBondContact O-CB 3.36Å; I425-I429 WeakPolarHBondContact O-CG1 3.42Å; I425-I429 PolarHBondContact O-N 3.04Å; I429-F433 HydrophobicContact CB-CE1 3.93Å; I429-F433 HydrophobicContact CB-CZ 3.77Å; I429-F433 HydrophobicContact CG2-CE1 3.83Å; I429-F433 HydrophobicContact CG2-CZ 4.14Å; I429-F433 WeakPolarHBondContact O-CE1 3.44Å; I429-V485 HydrophobicContact CD1-CB 4.32Å; I429-V485 HydrophobicContact CD1-CG1 3.91Å; I429-V485 WeakPolarHBondContact CD1-O 3.46Å; I429-L488 HydrophobicContact CD1-CB 3.78Å; I429-L488 HydrophobicContact CD1-CD1 4.43Å; I429-L488 HydrophobicContact CG1-CB 4.04Å; I429-L488 HydrophobicContact CG1-CD1 4.35Å; I429-V492 HydrophobicContact CG2-CB 4.21Å; I429-V492 HydrophobicContact CG2-CG2 3.93Å
430Y88.1Confident88.7Confident38 Ų3860.6 Ų60.615%0.14930%0.296CS..  trans-79.1130.5174.1167.1-95.7000111H353 A356 L395 A399 Q489 V492H353-Y430 HydrophobicContact CB-CE1 4.12Å; H353-Y430 AromaticContact CD2-CD1 3.5Å; H353-Y430 AromaticContact CD2-CD2 3.47Å; H353-Y430 VanDerWaalsContact CD2-CD2 3.47Å; H353-Y430 WeakPolarHBondContact CD2-CD2 3.45Å; H353-Y430 AromaticContact CD2-CE1 3.42Å; H353-Y430 VanDerWaalsContact CD2-CE1 3.42Å; H353-Y430 WeakPolarHBondContact CD2-CE1 3.47Å; H353-Y430 AromaticContact CD2-CE2 3.38Å; H353-Y430 WeakPolarHBondContact CD2-CE2 3.25Å; H353-Y430 AromaticContact CD2-CG 3.51Å; H353-Y430 AromaticContact CD2-CZ 3.34Å; H353-Y430 AromaticContact CG-CD1 4Å; H353-Y430 AromaticContact CG-CE1 3.92Å; H353-Y430 AromaticContact NE2-CD1 3.9Å; H353-Y430 AromaticContact NE2-CD2 3.43Å; H353-Y430 WeakPolarHBondContact NE2-CD2 3.34Å; H353-Y430 AromaticContact NE2-CE2 3.82Å; H353-Y430 AromaticContact NE2-CG 3.46Å; A356-Y430 WeakPolarHBondContact CB-OH 3.41Å; L395-Y430 HydrophobicContact CB-CE2 4.26Å; L395-Y430 VanDerWaalsContact O-CE2 3.25Å; L395-Y430 WeakPolarHBondContact O-CE2 3.35Å; L395-Y430 PolarHBondContact O-OH 3.02Å; A399-Y430 HydrophobicContact CB-CD2 4.47Å; A399-Y430 HydrophobicContact CB-CE1 4.26Å; A399-Y430 HydrophobicContact CB-CE2 3.6Å; A399-Y430 VanDerWaalsContact CB-CZ 3.48Å; A399-Y430 WeakPolarHBondContact CB-OH 3.49Å; Y430-Q489 PolarHBondContact O-NE2 3.31Å; Y430-V492 WeakPolarHBondContact O-CG1 3.43Å
431G89.8Confident86.9Confident29 Ų2965.4 Ų65.430%0.29932%0.317SS..SBendtrans156.1179.3172.400000111.7
432N91.2Very high85Confident45 Ų4569 Ų6924%0.24134%0.336CS..SBendtrans-104.798.9167.8-17120.5000109.2A399 D402 P404 L405A399-N432 VanDerWaalsContact O-CB 3.24Å; A399-N432 WeakPolarHBondContact O-CB 3.36Å; D402-N432 PolarHBondContact O-ND2 2.93Å; P404-N432 WeakPolarHBondContact CA-O 3.38Å; L405-N432 PolarHBondContact N-O 3.22Å
433F94Very high82.9Confident23 Ų2375.7 Ų75.710%0.10138%0.376CS..EExtended strand (participates in β ladder)trans-149.3159.3-17965.1-94.1000111.4L405 L407 I425 E426 I429 V435 V492L405-F433 HydrophobicContact CB-CB 3.83Å; L405-F433 CarbonylContact O-C 3.45Å; L405-F433 WeakPolarHBondContact O-CA 3.43Å; L405-F433 WeakPolarHBondContact O-CB 3.47Å; L407-F433 HydrophobicContact CD1-CB 3.91Å; L407-F433 HydrophobicContact CD1-CD1 4.42Å; L407-F433 HydrophobicContact CD1-CD2 3.43Å; L407-F433 VanDerWaalsContact CD1-CD2 3.43Å; L407-F433 HydrophobicContact CD1-CE2 4.07Å; L407-F433 HydrophobicContact CD1-CG 3.66Å; L407-F433 HydrophobicContact CG-CB 4.05Å; L407-F433 HydrophobicContact CG-CD2 4.17Å; L407-F433 HydrophobicContact CG-CG 4.31Å; I425-F433 HydrophobicContact CG2-CE2 3.96Å; I425-F433 HydrophobicContact CG2-CZ 4.24Å; E426-F433 HydrophobicContact CG-CE2 4.16Å; I429-F433 HydrophobicContact CB-CE1 3.93Å; I429-F433 HydrophobicContact CB-CZ 3.77Å; I429-F433 HydrophobicContact CG2-CE1 3.83Å; I429-F433 HydrophobicContact CG2-CZ 4.14Å; I429-F433 WeakPolarHBondContact O-CE1 3.44Å; F433-V435 HydrophobicContact CD2-CG2 4.2Å; F433-V435 HydrophobicContact CE2-CG2 4.01Å; F433-V492 HydrophobicContact CD1-CG1 3.86Å; F433-V492 HydrophobicContact CD1-CG2 4.11Å; F433-V492 HydrophobicContact CE1-CG1 4.34Å; F433-V492 HydrophobicContact CE1-CG2 4.38Å
434E94Very high81.1Confident98 Ų9879 Ų7946%0.45839%0.391SS..EExtended strand (participates in β ladder)trans-121.4133174.7-65.6178.5-175.400108.8L405 L407 H436L405-E434 PolarHBondContact O-N 2.94Å; L407-E434 PolarHBondContact N-O 3.49Å; E434-H436 IonicContact OE2-CE1 2.76Å; E434-H436 IonicContact OE2-NE2 2.71Å
435V94.8Very high79.3Confident12 Ų1279.1 Ų79.17%0.07340%0.395CS..EExtended strand (participates in β ladder)trans-88.5120.6173.7-178.40000109.2L409 I425 E426 F433 Y437L409-V435 HydrophobicContact CB-CG1 3.72Å; L409-V435 HydrophobicContact CD2-CG1 4.19Å; I425-V435 HydrophobicContact CG2-CG2 4.18Å; E426-V435 HydrophobicContact CG-CB 4.36Å; E426-V435 HydrophobicContact CG-CG2 3.7Å; F433-V435 HydrophobicContact CD2-CG2 4.2Å; F433-V435 HydrophobicContact CE2-CG2 4.01Å; V435-Y437 HydrophobicContact CG1-CE1 4.3Å; V435-Y437 HydrophobicContact CG1-CE2 4.32Å
436H93.2Very high77.9Confident51 Ų5183.5 Ų83.524%0.23642%0.419CS..EExtended strand (participates in β ladder)trans-108.5152.2177.5-66-83.1000111.3L407 L409 E434 Y455L407-H436 PolarHBondContact O-N 3.32Å; L409-H436 PolarHBondContact N-O 2.8Å; E434-H436 IonicContact OE2-CE1 2.76Å; E434-H436 IonicContact OE2-NE2 2.71Å; H436-Y455 HydrophobicContact CB-CD1 4.09Å; H436-Y455 HydrophobicContact CB-CE1 3.4Å; H436-Y455 VanDerWaalsContact CB-CE1 3.4Å; H436-Y455 AromaticContact CD2-CE1 4Å; H436-Y455 AromaticContact CG-CE1 3.73Å
437Y88.7Confident76.8Confident64 Ų6479.7 Ų79.725%0.25140%0.401SS..  trans-124.8155.5-178.8-49.5-93.9000109.2L409 E418 G422 V435L409-Y437 HydrophobicContact CB-CE1 4.49Å; L409-Y437 HydrophobicContact CD2-CE1 3.95Å; E418-Y437 HydrophobicContact CG-CD1 3.79Å; E418-Y437 HydrophobicContact CG-CE1 3.92Å; G422-Y437 WeakPolarHBondContact CA-OH 3.27Å; V435-Y437 HydrophobicContact CG1-CE1 4.3Å; V435-Y437 HydrophobicContact CG1-CE2 4.32Å
438V80.2Confident76.2Confident40 Ų4079.5 Ų79.524%0.24240%0.4CS..  trans-83.4119173.9179.20000110.1L408 L410 K440 L442 I447L408-V438 HydrophobicContact CD1-CG2 3.94Å; L408-V438 HydrophobicContact CD2-CG2 4.46Å; L410-V438 HydrophobicContact CD2-CB 4.21Å; L410-V438 HydrophobicContact CD2-CG2 3.41Å; L410-V438 VanDerWaalsContact CD2-CG2 3.41Å; V438-K440 VanDerWaalsContact C-N 3.26Å; V438-K440 HydrophobicContact CG1-CB 4.35Å; V438-K440 WeakPolarHBondContact CG1-O 3.42Å; V438-K440 PolarHBondContact O-N 3.09Å; V438-L442 HydrophobicContact CG1-CD1 3.91Å; V438-L442 HydrophobicContact CG1-CG 4.2Å; V438-L442 HydrophobicContact CG2-CD1 4.48Å; V438-I447 HydrophobicContact CG2-CD1 4.47Å
439E66.7Low75.6Confident200 Ų20083.6 Ų83.694%0.93541%0.412SS*.SBendtrans-65.8-27.2179.4-66.9-176.1164.200113.7
440K62.6Low75.2Confident168 Ų16886.8 Ų86.873%0.7344%0.435SS*.SBendtrans-90.6126.3-176.4-72.4179-179.5172.70109.3V438 L442V438-K440 VanDerWaalsContact C-N 3.26Å; V438-K440 HydrophobicContact CG1-CB 4.35Å; V438-K440 WeakPolarHBondContact CG1-O 3.42Å; V438-K440 PolarHBondContact O-N 3.09Å; K440-L442 PolarHBondContact O-N 2.79Å
441K51.7Low75.1Confident208 Ų20888 Ų8890%0.90444%0.442SS*.  trans-54.284.7160.8-71.3-176.8177.9-177.10108.5T443K441-T443 PolarHBondContact O-N 2.87Å
442L52.4Low75Confident78 Ų7886.9 Ų86.941%0.40843%0.429SS..  trans-61.3109.7169.1-84.9171.8000104.8V438 K440 N444V438-L442 HydrophobicContact CG1-CD1 3.91Å; V438-L442 HydrophobicContact CG1-CG 4.2Å; V438-L442 HydrophobicContact CG2-CD1 4.48Å; K440-L442 PolarHBondContact O-N 2.79Å; L442-N444 WeakPolarHBondContact CB-O 3.4Å; L442-N444 PolarHBondContact O-N 2.92Å; L442-N444 VanDerWaalsContact O-N 3.16Å
443T49.4Very low74.9Confident139 Ų13991.1 Ų91.185%0.85345%0.447SS*.SBendtrans-62.2-18.4177.737.80000111.8K441K441-T443 PolarHBondContact O-N 2.87Å
444N54.3Low74.8Confident107 Ų10795.6 Ų95.657%0.57247%0.467SS*.SBendtrans-132.9137.5168.8-67.7-11.7000108.2L442 N446L442-N444 WeakPolarHBondContact CB-O 3.4Å; L442-N444 PolarHBondContact O-N 2.92Å; L442-N444 VanDerWaalsContact O-N 3.16Å; N444-N446 HydrophobicContact CB-CB 4.36Å; N444-N446 PolarHBondContact O-N 3.06Å
445V55.2Low74.8Confident49 Ų4992.7 Ų92.730%0.29745%0.452SS..SBendtrans-54.5-13.9177.9-177.60000113.4E412 I447E412-V445 HydrophobicContact CG-CG2 4.16Å; V445-I447 PolarHBondContact O-N 2.96Å
446N63.6Low74.9Confident93 Ų9393.9 Ų93.950%0.49746%0.458SS..  trans-51.6102.4177.1-62.415000112.6N444N444-N446 HydrophobicContact CB-CB 4.36Å; N444-N446 PolarHBondContact O-N 3.06Å
447I70.5Confident75Confident12 Ų1291.4 Ų91.46%0.06245%0.447CS..  trans-89.1130.8171.9-163.4160.5000109.7L408 L410 V438 V445 E451 L452L408-I447 HydrophobicContact CD2-CD1 3.21Å; L410-I447 HydrophobicContact CD1-CB 4.25Å; L410-I447 HydrophobicContact CD1-CD1 3.8Å; L410-I447 HydrophobicContact CD1-CG2 4.34Å; V438-I447 HydrophobicContact CG2-CD1 4.47Å; V445-I447 PolarHBondContact O-N 2.96Å; I447-E451 HydrophobicContact CD1-CB 4.3Å; I447-E451 HydrophobicContact CD1-CG 4.12Å; I447-E451 HydrophobicContact CG1-CB 3.83Å; I447-E451 HydrophobicContact CG1-CG 4.08Å; I447-L452 HydrophobicContact CB-CG 4.46Å; I447-L452 HydrophobicContact CD1-CD2 4.08Å; I447-L452 HydrophobicContact CD1-CG 4.28Å; I447-L452 HydrophobicContact CG1-CD2 4.47Å; I447-L452 HydrophobicContact CG1-CG 4.18Å; I447-L452 HydrophobicContact CG2-CD1 3.63Å; I447-L452 HydrophobicContact CG2-CD2 3.68Å; I447-L452 HydrophobicContact CG2-CG 3.51Å
448N77.5Confident75.3Confident118 Ų11888.4 Ų88.463%0.63144%0.435SS*.  trans-72.2145.8176.3-73.2-12000110S450 E451 L452N448-S450 PolarHBondContact O-N 2.8Å; N448-S450 VanDerWaalsContact O-N 3.13Å; N448-E451 WeakPolarHBondContact O-CA 3.34Å; N448-E451 WeakPolarHBondContact O-CB 3.28Å; N448-E451 PolarHBondContact O-N 3.34Å; N448-L452 PolarHBondContact O-N 3.01Å
449R79.5Confident76Confident173 Ų17386.5 Ų86.565%0.65342%0.423SS*.Hα-helixtrans-51-39.4178.2-171176.5-1771607.8113.7E451 L452 E453R449-E451 PolarHBondContact O-N 2.95Å; R449-L452 PolarHBondContact O-N 3.31Å; R449-E453 IonicContact NE-OE1 3.71Å; R449-E453 WeakPolarHBondContact O-CG 3.5Å; R449-E453 PolarHBondContact O-N 2.82Å; R449-E453 VanDerWaalsContact O-N 3.08Å
450S83.1Confident77.2Confident77 Ų7777 Ų7754%0.53838%0.379SS..Hα-helixtrans-64.9-2417759.80000114.2N448N448-S450 PolarHBondContact O-N 2.8Å; N448-S450 VanDerWaalsContact O-N 3.13Å
451E84.3Confident78.3Confident63 Ų6370.2 Ų70.229%0.29435%0.353SS..Hα-helixtrans-83.6-40.6175.7-162.964.1-146.900110.6I447 N448 R449 E453 K454 Y455I447-E451 HydrophobicContact CD1-CB 4.3Å; I447-E451 HydrophobicContact CD1-CG 4.12Å; I447-E451 HydrophobicContact CG1-CB 3.83Å; I447-E451 HydrophobicContact CG1-CG 4.08Å; N448-E451 WeakPolarHBondContact O-CA 3.34Å; N448-E451 WeakPolarHBondContact O-CB 3.28Å; N448-E451 PolarHBondContact O-N 3.34Å; R449-E451 PolarHBondContact O-N 2.95Å; E451-E453 VanDerWaalsContact C-N 3.33Å; E451-E453 PolarHBondContact O-N 3.46Å; E451-K454 WeakPolarHBondContact O-CB 3.31Å; E451-K454 PolarHBondContact O-N 3.04Å; E451-K454 IonicContact OE1-NZ 3.67Å; E451-K454 PolarHBondContact OE1-NZ 2.95Å; E451-K454 WeakPolarHBondContact OE2-CE 3.47Å; E451-K454 IonicContact OE2-NZ 3.25Å; E451-K454 PolarHBondContact OE2-NZ 3.28Å; E451-Y455 VanDerWaalsContact O-CD2 3.32Å; E451-Y455 WeakPolarHBondContact O-CD2 3.21Å; E451-Y455 WeakPolarHBondContact O-CE2 3.49Å
452L88.8Confident79.9Confident7 Ų761 Ų614%0.03732%0.315CS..Hα-helixtrans-57.7-42.2173.5-77169.7000112.4L408 I447 N448 R449 K454 Y455 L458 V467 Y471L408-L452 HydrophobicContact CD2-CD2 4.49Å; I447-L452 HydrophobicContact CB-CG 4.46Å; I447-L452 HydrophobicContact CD1-CD2 4.08Å; I447-L452 HydrophobicContact CD1-CG 4.28Å; I447-L452 HydrophobicContact CG1-CD2 4.47Å; I447-L452 HydrophobicContact CG1-CG 4.18Å; I447-L452 HydrophobicContact CG2-CD1 3.63Å; I447-L452 HydrophobicContact CG2-CD2 3.68Å; I447-L452 HydrophobicContact CG2-CG 3.51Å; N448-L452 PolarHBondContact O-N 3.01Å; R449-L452 PolarHBondContact O-N 3.31Å; L452-K454 PolarHBondContact O-N 3.24Å; L452-Y455 PolarHBondContact O-N 3.42Å; L452-L458 HydrophobicContact CD2-CB 4.37Å; L452-L458 HydrophobicContact CD2-CD2 4.27Å; L452-V467 HydrophobicContact CD1-CG1 4.44Å; L452-V467 HydrophobicContact CD1-CG2 4.1Å; L452-Y471 HydrophobicContact CB-CE2 4.43Å; L452-Y471 HydrophobicContact CD2-CE1 3.97Å; L452-Y471 PolarHBondContact O-OH 2.99Å; L452-Y471 VanDerWaalsContact O-OH 3.06Å
453E89.6Confident81.3Confident133 Ų13362.3 Ų62.362%0.62133%0.33SS*.THydrogen-bonded Turntrans-60.2-11.3-179-75.7171.5-174.200114.9R449 E451 Y455R449-E453 IonicContact NE-OE1 3.71Å; R449-E453 WeakPolarHBondContact O-CG 3.5Å; R449-E453 PolarHBondContact O-N 2.82Å; R449-E453 VanDerWaalsContact O-N 3.08Å; E451-E453 VanDerWaalsContact C-N 3.33Å; E451-E453 PolarHBondContact O-N 3.46Å; E453-Y455 VanDerWaalsContact C-N 3.3Å
454K91.6Very high82.9Confident118 Ų11856.6 Ų56.651%0.51330%0.295SS..THydrogen-bonded Turntrans-80-14.1174.8-60.6179.5-170.3166.80113.5E451 L452E451-K454 WeakPolarHBondContact O-CB 3.31Å; E451-K454 PolarHBondContact O-N 3.04Å; E451-K454 IonicContact OE1-NZ 3.67Å; E451-K454 PolarHBondContact OE1-NZ 2.95Å; E451-K454 WeakPolarHBondContact OE2-CE 3.47Å; E451-K454 IonicContact OE2-NZ 3.25Å; E451-K454 PolarHBondContact OE2-NZ 3.28Å; L452-K454 PolarHBondContact O-N 3.24Å
455Y94.6Very high84.1Confident37 Ų3760.4 Ų60.415%0.14531%0.309CS..SBendtrans-116.3154-174.4-55.9-79.3000109.6K406 L408 H436 E451 L452 E453 Y471K406-Y455 HydrophobicContact CB-CD1 4.06Å; K406-Y455 CarbonylContact O-C 3.6Å; K406-Y455 WeakPolarHBondContact O-CA 3.35Å; K406-Y455 WeakPolarHBondContact O-CB 3.33Å; L408-Y455 HydrophobicContact CB-CD1 3.94Å; L408-Y455 HydrophobicContact CB-CD2 3.9Å; L408-Y455 HydrophobicContact CB-CE1 4.4Å; L408-Y455 HydrophobicContact CB-CE2 4.33Å; L408-Y455 HydrophobicContact CB-CG 3.68Å; L408-Y455 HydrophobicContact CD1-CD1 4.43Å; L408-Y455 HydrophobicContact CD1-CD2 4.29Å; L408-Y455 HydrophobicContact CD1-CE1 4.04Å; L408-Y455 HydrophobicContact CD1-CE2 3.85Å; L408-Y455 HydrophobicContact CD2-CD2 3.86Å; L408-Y455 HydrophobicContact CD2-CE2 3.9Å; L408-Y455 HydrophobicContact CD2-CG 4.49Å; L408-Y455 HydrophobicContact CG-CD2 4.24Å; L408-Y455 HydrophobicContact CG-CE2 4.25Å; L408-Y455 HydrophobicContact CG-CG 4.46Å; H436-Y455 HydrophobicContact CB-CD1 4.09Å; H436-Y455 HydrophobicContact CB-CE1 3.4Å; H436-Y455 VanDerWaalsContact CB-CE1 3.4Å; H436-Y455 AromaticContact CD2-CE1 4Å; H436-Y455 AromaticContact CG-CE1 3.73Å; E451-Y455 VanDerWaalsContact O-CD2 3.32Å; E451-Y455 WeakPolarHBondContact O-CD2 3.21Å; E451-Y455 WeakPolarHBondContact O-CE2 3.49Å; L452-Y455 PolarHBondContact O-N 3.42Å; E453-Y455 VanDerWaalsContact C-N 3.3Å; Y455-Y471 PolarHBondContact O-OH 3.08Å; Y455-Y471 VanDerWaalsContact O-OH 3.09Å
456D95.5Very high85.4Confident36 Ų3662 Ų6219%0.19331%0.314CS..SBendtrans-80.9-26.5177-69.1-81.2000111.8R403 L405 K406 L495R403-D456 IonicContact CZ-OD1 3.53Å; R403-D456 VanDerWaalsContact CZ-OD1 3.31Å; R403-D456 IonicContact NH1-OD1 3.67Å; R403-D456 PolarHBondContact NH1-OD1 2.9Å; R403-D456 IonicContact NH1-OD2 3.24Å; R403-D456 IonicContact NH2-OD1 3.7Å; R403-D456 PolarHBondContact NH2-OD1 2.81Å; L405-D456 WeakPolarHBondContact CA-OD2 3.42Å; L405-D456 HydrophobicContact CB-CB 4.39Å; L405-D456 HydrophobicContact CD2-CB 4.23Å; K406-D456 PolarHBondContact N-OD2 3.13Å; K406-D456 PolarHBondContact O-N 2.98Å; D456-L495 HydrophobicContact CB-CD1 4.44Å
457A95.9Very high86.4Confident0 Ų058.4 Ų58.40%030%0.295CS..EExtended strand (participates in β ladder)trans-156.9162.6179.900000112.6L407 L408 P472 L491 L495L407-A457 HydrophobicContact CD2-CB 3.81Å; L408-A457 PolarHBondContact N-O 3.29Å; A457-P472 CarbonylContact C-O 3.53Å; A457-P472 VanDerWaalsContact CA-O 3.25Å; A457-P472 WeakPolarHBondContact CA-O 3.38Å; A457-P472 HydrophobicContact CB-CB 4.07Å; A457-P472 WeakPolarHBondContact CB-O 3.35Å; A457-L491 HydrophobicContact CB-CD1 4.39Å; A457-L491 HydrophobicContact CB-CD2 3.81Å; A457-L491 HydrophobicContact CB-CG 4.33Å; A457-L495 HydrophobicContact CB-CD1 3.68Å
458L94.4Very high87.2Confident0 Ų060.2 Ų60.20%031%0.307CS..EExtended strand (participates in β ladder)trans-111.6131.4170.9172.766000110.4L408 L410 L452 T460 V464 V467 Y471 P472 T473 V474L408-L458 HydrophobicContact CB-CD1 4.35Å; L408-L458 HydrophobicContact CD2-CD1 4.16Å; L408-L458 HydrophobicContact CG-CD1 4.24Å; L410-L458 HydrophobicContact CB-CD1 3.98Å; L410-L458 HydrophobicContact CD1-CD1 3.58Å; L410-L458 HydrophobicContact CG-CD1 3.65Å; L452-L458 HydrophobicContact CD2-CB 4.37Å; L452-L458 HydrophobicContact CD2-CD2 4.27Å; L458-T460 HydrophobicContact CD2-CG2 4.46Å; L458-T460 HydrophobicContact CG-CG2 4.47Å; L458-V464 HydrophobicContact CD2-CG1 4.44Å; L458-V464 HydrophobicContact CD2-CG2 4.08Å; L458-V467 HydrophobicContact CD2-CG2 3.69Å; L458-Y471 HydrophobicContact CB-CD1 4.31Å; L458-Y471 HydrophobicContact CB-CE1 3.71Å; L458-P472 PolarHBondContact N-O 3.1Å; L458-T473 HydrophobicContact CB-CG2 4.12Å; L458-T473 HydrophobicContact CD2-CG2 3.93Å; L458-T473 HydrophobicContact CG-CG2 4.06Å; L458-T473 CarbonylContact O-C 3.58Å; L458-T473 VanDerWaalsContact O-CA 3.27Å; L458-T473 WeakPolarHBondContact O-CA 3.42Å; L458-V474 PolarHBondContact O-N 3.41Å
459I94.4Very high87.6Confident0 Ų064.3 Ų64.30%032%0.323CS..EExtended strand (participates in β ladder)trans-112.9128.3167.3-55.6174.4000106.4L407 L408 L409 L410 I425 V474 I476 L488L407-I459 HydrophobicContact CB-CD1 4.12Å; L407-I459 HydrophobicContact CD1-CD1 4.05Å; L408-I459 PolarHBondContact O-N 3.3Å; L409-I459 CarbonylContact C-O 3.39Å; L409-I459 WeakPolarHBondContact CA-O 3.44Å; L409-I459 HydrophobicContact CD1-CB 3.98Å; L409-I459 HydrophobicContact CD1-CG2 3.68Å; L410-I459 PolarHBondContact N-O 3.2Å; I425-I459 HydrophobicContact CD1-CD1 4.13Å; I425-I459 HydrophobicContact CD1-CG2 4.16Å; I425-I459 HydrophobicContact CG2-CD1 4.34Å; I459-V474 WeakPolarHBondContact CA-O 3.34Å; I459-I476 HydrophobicContact CG2-CD1 3.39Å; I459-I476 HydrophobicContact CG2-CG1 3.84Å; I459-I476 HydrophobicContact CG2-CG2 4.31Å; I459-L488 HydrophobicContact CB-CD2 4.47Å; I459-L488 HydrophobicContact CD1-CD2 3.62Å; I459-L488 HydrophobicContact CG1-CD2 3.69Å; I459-L488 HydrophobicContact CG2-CD2 4Å
460T91.9Very high88.1Confident1 Ų165.1 Ų65.11%0.00633%0.334CS..EExtended strand (participates in β ladder)trans-144151.2-178.9-174.50000113.9L410 L458 S462 V464 V474 V475 I476L410-T460 WeakPolarHBondContact O-CA 3.48Å; L410-T460 VanDerWaalsContact O-CB 3.25Å; L410-T460 WeakPolarHBondContact O-CB 3.42Å; L410-T460 PolarHBondContact O-OG1 2.84Å; L458-T460 HydrophobicContact CD2-CG2 4.46Å; L458-T460 HydrophobicContact CG-CG2 4.47Å; T460-S462 VanDerWaalsContact CG2-O 3.28Å; T460-S462 WeakPolarHBondContact CG2-O 3.36Å; T460-S462 PolarHBondContact OG1-N 2.95Å; T460-V464 HydrophobicContact CG2-CG1 3.99Å; T460-V464 HydrophobicContact CG2-CG2 3.78Å; T460-V474 PolarHBondContact N-O 3.22Å; T460-V475 HydrophobicContact CG2-CG2 3.99Å; T460-V475 CarbonylContact O-C 3.46Å; T460-V475 WeakPolarHBondContact O-CA 3.42Å; T460-I476 PolarHBondContact O-N 2.75Å
461S86.8Confident88.6Confident26 Ų2663.4 Ų63.418%0.18232%0.316CS..SBendtrans-92.9-2.3172.170.30000114.1L410 S411 E412 I476L410-S461 PolarHBondContact O-N 2.78Å; S411-S461 WeakPolarHBondContact CA-OG 3.35Å; S411-S461 WeakPolarHBondContact CB-OG 3.43Å; E412-S461 PolarHBondContact N-OG 2.98Å; S461-I476 VanDerWaalsContact CA-O 3.31Å; S461-I476 WeakPolarHBondContact CA-O 3.25Å
462S84.2Confident89.1Confident15 Ų1562.4 Ų62.411%0.10532%0.315CS..SBendtrans-121.3161.7-173.2-66.50000111.1E412 T460E412-S462 WeakPolarHBondContact CG-OG 3.46Å; E412-S462 WeakPolarHBondContact OE1-CB 3.16Å; E412-S462 PolarHBondContact OE1-OG 3.31Å; T460-S462 VanDerWaalsContact CG2-O 3.28Å; T460-S462 WeakPolarHBondContact CG2-O 3.36Å; T460-S462 PolarHBondContact OG1-N 2.95Å
463S82.6Confident89.3Confident104 Ų10464.2 Ų64.273%0.72733%0.326SS*.  trans-70.9131.3170.7-610000109.8
464V82.9Confident89.5Confident19 Ų1958.6 Ų58.612%0.11530%0.301CS..  trans-12774-176.4-72.10000110.3L458 T460 E466 V467 T473L458-V464 HydrophobicContact CD2-CG1 4.44Å; L458-V464 HydrophobicContact CD2-CG2 4.08Å; T460-V464 HydrophobicContact CG2-CG1 3.99Å; T460-V464 HydrophobicContact CG2-CG2 3.78Å; V464-E466 PolarHBondContact O-N 3.28Å; V464-V467 HydrophobicContact CB-CB 4.44Å; V464-V467 HydrophobicContact CB-CG2 3.73Å; V464-V467 HydrophobicContact CG2-CB 4.29Å; V464-V467 HydrophobicContact CG2-CG2 3.89Å; V464-V467 PolarHBondContact O-N 3.03Å; V464-T473 HydrophobicContact CG2-CG2 4.09Å
465E80.2Confident89.5Confident187 Ų18756.7 Ų56.787%0.87430%0.299SS*.THydrogen-bonded Turntrans-68.5-19.8-176.9-65-175.6-178.500113V467E465-V467 VanDerWaalsContact C-N 3.33Å
466E81.4Confident89.4Confident84 Ų8455.2 Ų55.239%0.39329%0.294SS..THydrogen-bonded Turntrans-78.1-14.9178.768.2-84.8-161.900114.1V464V464-E466 PolarHBondContact O-N 3.28Å
467V85.9Confident89.1Confident16 Ų1657.6 Ų57.610%0.09731%0.307CS..SBendtrans-79130.1-179.5177.70000109.1L452 L458 V464 E465 E469 Y471 T473L452-V467 HydrophobicContact CD1-CG1 4.44Å; L452-V467 HydrophobicContact CD1-CG2 4.1Å; L458-V467 HydrophobicContact CD2-CG2 3.69Å; V464-V467 HydrophobicContact CB-CB 4.44Å; V464-V467 HydrophobicContact CB-CG2 3.73Å; V464-V467 HydrophobicContact CG2-CB 4.29Å; V464-V467 HydrophobicContact CG2-CG2 3.89Å; V464-V467 PolarHBondContact O-N 3.03Å; E465-V467 VanDerWaalsContact C-N 3.33Å; V467-E469 PolarHBondContact O-N 3.09Å; V467-Y471 HydrophobicContact CG1-CD1 3.79Å; V467-Y471 HydrophobicContact CG1-CG 4.21Å; V467-T473 WeakPolarHBondContact CG1-OG1 3.45Å
468P86.8Confident88.5Confident51 Ų5161.2 Ų61.233%0.33133%0.33SS..  trans-56.6136.6177.9-23.633.1000111.8E470 Y471P468-E470 PolarHBondContact O-N 3.36Å; P468-Y471 WeakPolarHBondContact O-CB 3.32Å; P468-Y471 PolarHBondContact O-N 2.91Å
469E86.1Confident88.1Confident204 Ų20467.5 Ų67.595%0.95336%0.357SS*.THydrogen-bonded Turntrans-55.4-28.4-179.6-70-173.9168.600113.6V467 Y471V467-E469 PolarHBondContact O-N 3.09Å; E469-Y471 VanDerWaalsContact C-N 3.35Å
470E89.7Confident87.9Confident190 Ų19068 Ų6889%0.88836%0.36SS*.THydrogen-bonded Turntrans-79.7-15.4178.4-60.3-165.4-157.400113.7P468P468-E470 PolarHBondContact O-N 3.36Å
471Y92.5Very high87.8Confident40 Ų4070 Ų7016%0.15737%0.373CS..SBendtrans-75.4127.7-178.8-173.4-96.9000110.2L452 Y455 L458 V467 P468 E469 T473L452-Y471 HydrophobicContact CB-CE2 4.43Å; L452-Y471 HydrophobicContact CD2-CE1 3.97Å; L452-Y471 PolarHBondContact O-OH 2.99Å; L452-Y471 VanDerWaalsContact O-OH 3.06Å; Y455-Y471 PolarHBondContact O-OH 3.08Å; Y455-Y471 VanDerWaalsContact O-OH 3.09Å; L458-Y471 HydrophobicContact CB-CD1 4.31Å; L458-Y471 HydrophobicContact CB-CE1 3.71Å; V467-Y471 HydrophobicContact CG1-CD1 3.79Å; V467-Y471 HydrophobicContact CG1-CG 4.21Å; P468-Y471 WeakPolarHBondContact O-CB 3.32Å; P468-Y471 PolarHBondContact O-N 2.91Å; E469-Y471 VanDerWaalsContact C-N 3.35Å; Y471-T473 WeakPolarHBondContact CD1-OG1 3.35Å; Y471-T473 PolarHBondContact O-N 2.87Å; Y471-T473 PolarHBondContact O-OG1 2.76Å
472P94.9Very high87.8Confident43 Ų4375.9 Ų75.928%0.27940%0.402SS..  trans-59108.2-177.7-21.632.4000111.5A457 L458 L491 L495A457-P472 CarbonylContact C-O 3.53Å; A457-P472 VanDerWaalsContact CA-O 3.25Å; A457-P472 WeakPolarHBondContact CA-O 3.38Å; A457-P472 HydrophobicContact CB-CB 4.07Å; A457-P472 WeakPolarHBondContact CB-O 3.35Å; L458-P472 PolarHBondContact N-O 3.1Å; P472-L491 HydrophobicContact CB-CD1 3.67Å; P472-L495 HydrophobicContact CB-CD1 4.32Å; P472-L495 HydrophobicContact CB-CD2 4.16Å; P472-L495 HydrophobicContact CG-CD2 3.89Å
473T93.8Very high88.1Confident45 Ų4581.4 Ų81.428%0.27643%0.426SS..EExtended strand (participates in β ladder)trans-137.3136.1-173.6-52.20000110.7L458 V464 V467 Y471L458-T473 HydrophobicContact CB-CG2 4.12Å; L458-T473 HydrophobicContact CD2-CG2 3.93Å; L458-T473 HydrophobicContact CG-CG2 4.06Å; L458-T473 CarbonylContact O-C 3.58Å; L458-T473 VanDerWaalsContact O-CA 3.27Å; L458-T473 WeakPolarHBondContact O-CA 3.42Å; V464-T473 HydrophobicContact CG2-CG2 4.09Å; V467-T473 WeakPolarHBondContact CG1-OG1 3.45Å; Y471-T473 WeakPolarHBondContact CD1-OG1 3.35Å; Y471-T473 PolarHBondContact O-N 2.87Å; Y471-T473 PolarHBondContact O-OG1 2.76Å
474V94.1Very high88.5Confident15 Ų1576.8 Ų76.89%0.09139%0.393CS..EExtended strand (participates in β ladder)trans-127.7127.2170.8177.30000109L458 I459 T460 I476 Q487 L488 L491L458-V474 PolarHBondContact O-N 3.41Å; I459-V474 WeakPolarHBondContact CA-O 3.34Å; T460-V474 PolarHBondContact N-O 3.22Å; V474-I476 HydrophobicContact CG1-CG2 3.68Å; V474-Q487 HydrophobicContact CG1-CB 3.85Å; V474-L488 HydrophobicContact CB-CD2 3.96Å; V474-L488 HydrophobicContact CG1-CD2 3.93Å; V474-L488 HydrophobicContact CG1-CG 4.36Å; V474-L488 HydrophobicContact CG2-CD2 4.42Å; V474-L491 HydrophobicContact CB-CD2 4.43Å; V474-L491 HydrophobicContact CG2-CB 4.03Å; V474-L491 HydrophobicContact CG2-CD1 4.27Å; V474-L491 HydrophobicContact CG2-CD2 3.76Å; V474-L491 HydrophobicContact CG2-CG 4.24Å
475V91.6Very high89Confident77 Ų7777.3 Ų77.347%0.46740%0.396SS..EExtended strand (participates in β ladder)trans-93.5125.3172.1-174.30000108T460T460-V475 HydrophobicContact CG2-CG2 3.99Å; T460-V475 CarbonylContact O-C 3.46Å; T460-V475 WeakPolarHBondContact O-CA 3.42Å
476I92.5Very high89.4Confident6 Ų673.9 Ų73.93%0.03138%0.376CS..  trans-123.1160.1-17661.8171.9000111.6L421 I425 I459 T460 S461 V474 L480 D484 L488L421-I476 HydrophobicContact CD1-CD1 4.09Å; L421-I476 HydrophobicContact CD2-CD1 3.86Å; L421-I476 HydrophobicContact CG-CD1 4.15Å; I425-I476 HydrophobicContact CD1-CD1 4.05Å; I459-I476 HydrophobicContact CG2-CD1 3.39Å; I459-I476 HydrophobicContact CG2-CG1 3.84Å; I459-I476 HydrophobicContact CG2-CG2 4.31Å; T460-I476 PolarHBondContact O-N 2.75Å; S461-I476 VanDerWaalsContact CA-O 3.31Å; S461-I476 WeakPolarHBondContact CA-O 3.25Å; V474-I476 HydrophobicContact CG1-CG2 3.68Å; I476-L480 HydrophobicContact CD1-CD1 4.27Å; I476-D484 WeakPolarHBondContact CA-OD1 3.46Å; I476-D484 HydrophobicContact CB-CB 4.03Å; I476-D484 HydrophobicContact CG2-CB 3.75Å; I476-L488 HydrophobicContact CG2-CD1 4.27Å; I476-L488 HydrophobicContact CG2-CD2 4.3Å; I476-L488 HydrophobicContact CG2-CG 4.19Å
477D87.9Confident89.9Confident87 Ų8773 Ų7347%0.46537%0.372SS..  trans-71.6158.5171.9-74.3-46.7000111.8F479 T481 D484D477-F479 WeakPolarHBondContact CB-O 3.09Å; D477-F479 PolarHBondContact O-N 3.28Å; D477-T481 HydrophobicContact CB-CG2 4.23Å; D477-T481 WeakPolarHBondContact OD2-CG2 3.34Å; D477-D484 PolarHBondContact N-OD2 3.42Å
478P84.8Confident90.3Very high75 Ų7572.4 Ų72.449%0.48737%0.368SS..SBendtrans-54.2-19.2171.3-31.338.6000115.3L413L413-P478 HydrophobicContact CD1-CB 4.19Å; L413-P478 HydrophobicContact CD2-CB 3.76Å; L413-P478 HydrophobicContact CD2-CG 4.09Å
479F85.6Confident90.6Very high133 Ų13370.6 Ų70.658%0.58336%0.355SS*.SBendtrans-126.8130.4171.3-178.2-88.3000108.6D477 T481D477-F479 WeakPolarHBondContact CB-O 3.09Å; D477-F479 PolarHBondContact O-N 3.28Å; F479-T481 PolarHBondContact O-N 2.99Å
480L89.6Confident90.7Very high10 Ų1065.3 Ų65.35%0.05233%0.331CS..  trans-63.7109.9-174.3-159.172.5000111.6L421 I425 Q428 I476 D484 V485 L488L421-L480 HydrophobicContact CD1-CB 4.39Å; I425-L480 HydrophobicContact CG1-CD1 4.29Å; Q428-L480 HydrophobicContact CB-CD2 4.37Å; I476-L480 HydrophobicContact CD1-CD1 4.27Å; L480-D484 HydrophobicContact CD1-CB 3.51Å; L480-D484 HydrophobicContact CG-CB 4.13Å; L480-V485 HydrophobicContact CD2-CG2 3.47Å; L480-V485 VanDerWaalsContact CD2-CG2 3.47Å; L480-V485 HydrophobicContact CG-CG2 3.73Å; L480-L488 HydrophobicContact CD1-CD1 3.67Å
481T90.5Very high90.9Very high44 Ų4457.1 Ų57.127%0.2729%0.293SS..  trans-83.6165.1173.172.10000110.9D477 F479 Q483 D484 V485D477-T481 HydrophobicContact CB-CG2 4.23Å; D477-T481 WeakPolarHBondContact OD2-CG2 3.34Å; F479-T481 PolarHBondContact O-N 2.99Å; T481-Q483 PolarHBondContact O-N 3.43Å; T481-Q483 PolarHBondContact OG1-N 2.71Å; T481-D484 WeakPolarHBondContact CB-OD2 3.45Å; T481-D484 WeakPolarHBondContact CG2-OD2 3.28Å; T481-D484 PolarHBondContact N-OD2 3.17Å; T481-D484 WeakPolarHBondContact O-CB 3.44Å; T481-D484 PolarHBondContact O-N 2.76Å; T481-D484 VanDerWaalsContact O-N 3.11Å; T481-D484 PolarHBondContact OG1-N 2.86Å; T481-D484 PolarHBondContact OG1-OD2 2.7Å; T481-V485 WeakPolarHBondContact O-CG2 3.34Å; T481-V485 PolarHBondContact O-N 3.35Å
482N87.2Confident90.8Very high149 Ų14955.4 Ų55.480%0.79729%0.286SS*.Hα-helixtrans-59.4-27.8173.4-69.6-26.2000112.7Y486N482-Y486 WeakPolarHBondContact O-CB 3.47Å; N482-Y486 PolarHBondContact O-N 2.92Å; N482-Y486 VanDerWaalsContact O-N 3.17Å
483Q89Confident90.5Very high131 Ų13154.1 Ų54.161%0.61228%0.279SS*.Hα-helixtrans-72.7-42.3176.5-178.7172.8-19.300110.7T481 Y486 Q487T481-Q483 PolarHBondContact O-N 3.43Å; T481-Q483 PolarHBondContact OG1-N 2.71Å; Q483-Y486 PolarHBondContact O-N 3.48Å; Q483-Q487 WeakPolarHBondContact O-CG 3.4Å; Q483-Q487 PolarHBondContact O-N 3.25Å
484D92.6Very high90.1Very high7 Ų760 Ų604%0.03730%0.301CS..Hα-helixtrans-62.3-45.3175.1-55.7-40.1000110.9I476 D477 L480 T481 Y486 Q487 L488I476-D484 WeakPolarHBondContact CA-OD1 3.46Å; I476-D484 HydrophobicContact CB-CB 4.03Å; I476-D484 HydrophobicContact CG2-CB 3.75Å; D477-D484 PolarHBondContact N-OD2 3.42Å; L480-D484 HydrophobicContact CD1-CB 3.51Å; L480-D484 HydrophobicContact CG-CB 4.13Å; T481-D484 WeakPolarHBondContact CB-OD2 3.45Å; T481-D484 WeakPolarHBondContact CG2-OD2 3.28Å; T481-D484 PolarHBondContact N-OD2 3.17Å; T481-D484 WeakPolarHBondContact O-CB 3.44Å; T481-D484 PolarHBondContact O-N 2.76Å; T481-D484 VanDerWaalsContact O-N 3.11Å; T481-D484 PolarHBondContact OG1-N 2.86Å; T481-D484 PolarHBondContact OG1-OD2 2.7Å; D484-Y486 VanDerWaalsContact C-N 3.27Å; D484-Y486 PolarHBondContact O-N 2.79Å; D484-Q487 PolarHBondContact O-N 2.94Å; D484-L488 WeakPolarHBondContact O-CB 3.47Å; D484-L488 VanDerWaalsContact O-CG 3.3Å; D484-L488 WeakPolarHBondContact O-CG 3.46Å; D484-L488 PolarHBondContact O-N 3.29Å
485V92.2Very high89.9Confident30 Ų3060.8 Ų60.818%0.18230%0.304CS..Hα-helixtrans-53.5-47.9174.51730000110.6I429 L480 T481 Q489I429-V485 HydrophobicContact CD1-CB 4.32Å; I429-V485 HydrophobicContact CD1-CG1 3.91Å; I429-V485 WeakPolarHBondContact CD1-O 3.46Å; L480-V485 HydrophobicContact CD2-CG2 3.47Å; L480-V485 VanDerWaalsContact CD2-CG2 3.47Å; L480-V485 HydrophobicContact CG-CG2 3.73Å; T481-V485 WeakPolarHBondContact O-CG2 3.34Å; T481-V485 PolarHBondContact O-N 3.35Å; V485-Q489 VanDerWaalsContact O-CB 3.25Å; V485-Q489 WeakPolarHBondContact O-CB 3.38Å; V485-Q489 PolarHBondContact O-N 3Å
486Y89.3Confident89.6Confident114 Ų11458.4 Ų58.445%0.44729%0.292SS..Hα-helixtrans-63.4-46.4-179.8177.8-98.7000112.3N482 Q483 D484 Q489 Q490N482-Y486 WeakPolarHBondContact O-CB 3.47Å; N482-Y486 PolarHBondContact O-N 2.92Å; N482-Y486 VanDerWaalsContact O-N 3.17Å; Q483-Y486 PolarHBondContact O-N 3.48Å; D484-Y486 VanDerWaalsContact C-N 3.27Å; D484-Y486 PolarHBondContact O-N 2.79Å; Y486-Q489 PolarHBondContact O-N 2.88Å; Y486-Q490 HydrophobicContact CD1-CG 4.5Å; Y486-Q490 VanDerWaalsContact CE1-CD 3.43Å; Y486-Q490 HydrophobicContact CE1-CG 4.17Å; Y486-Q490 HydrophobicContact CE2-CG 4.48Å; Y486-Q490 WeakPolarHBondContact O-CG 3.37Å; Y486-Q490 PolarHBondContact O-N 2.75Å; Y486-Q490 PolarHBondContact OH-NE2 3.47Å
487Q92.2Very high88.7Confident67 Ų6762.2 Ų62.231%0.31333%0.333SS..Hα-helixtrans-65.9-43.4-179.9-71178.4-12.500112.2V474 Q483 D484 Q489 Q490 L491V474-Q487 HydrophobicContact CG1-CB 3.85Å; Q483-Q487 WeakPolarHBondContact O-CG 3.4Å; Q483-Q487 PolarHBondContact O-N 3.25Å; D484-Q487 PolarHBondContact O-N 2.94Å; Q487-Q489 VanDerWaalsContact C-N 3.34Å; Q487-Q490 PolarHBondContact O-N 2.92Å; Q487-L491 WeakPolarHBondContact O-CB 3.49Å; Q487-L491 PolarHBondContact O-N 3.45Å
488L94Very high88.8Confident2 Ų261 Ų611%0.0133%0.327CS..Hα-helixtrans-63.1-41.3174.9-70.9-179.7000111.6I425 I429 I459 V474 I476 L480 D484 Q490 L491 V492I425-L488 HydrophobicContact CD1-CD1 4.18Å; I425-L488 HydrophobicContact CG1-CD1 3.85Å; I425-L488 HydrophobicContact CG2-CD1 4.25Å; I429-L488 HydrophobicContact CD1-CB 3.78Å; I429-L488 HydrophobicContact CD1-CD1 4.43Å; I429-L488 HydrophobicContact CG1-CB 4.04Å; I429-L488 HydrophobicContact CG1-CD1 4.35Å; I459-L488 HydrophobicContact CB-CD2 4.47Å; I459-L488 HydrophobicContact CD1-CD2 3.62Å; I459-L488 HydrophobicContact CG1-CD2 3.69Å; I459-L488 HydrophobicContact CG2-CD2 4Å; V474-L488 HydrophobicContact CB-CD2 3.96Å; V474-L488 HydrophobicContact CG1-CD2 3.93Å; V474-L488 HydrophobicContact CG1-CG 4.36Å; V474-L488 HydrophobicContact CG2-CD2 4.42Å; I476-L488 HydrophobicContact CG2-CD1 4.27Å; I476-L488 HydrophobicContact CG2-CD2 4.3Å; I476-L488 HydrophobicContact CG2-CG 4.19Å; L480-L488 HydrophobicContact CD1-CD1 3.67Å; D484-L488 WeakPolarHBondContact O-CB 3.47Å; D484-L488 VanDerWaalsContact O-CG 3.3Å; D484-L488 WeakPolarHBondContact O-CG 3.46Å; D484-L488 PolarHBondContact O-N 3.29Å; L488-Q490 PolarHBondContact O-N 3.43Å; L488-L491 HydrophobicContact CD2-CD2 4.47Å; L488-L491 WeakPolarHBondContact O-CB 3.34Å; L488-L491 PolarHBondContact O-N 2.83Å; L488-V492 WeakPolarHBondContact O-CG2 3.35Å; L488-V492 PolarHBondContact O-N 3.32Å
489Q92.1Very high89Confident14 Ų1460.3 Ų60.37%0.06532%0.318CS..Hα-helixtrans-62-45.2175.8-173.160.569.400111.3T352 Y430 V485 Y486 Q487 L491 V492 S493T352-Q489 HydrophobicContact CG2-CG 3.88Å; T352-Q489 PolarHBondContact O-NE2 3.21Å; Y430-Q489 PolarHBondContact O-NE2 3.31Å; V485-Q489 VanDerWaalsContact O-CB 3.25Å; V485-Q489 WeakPolarHBondContact O-CB 3.38Å; V485-Q489 PolarHBondContact O-N 3Å; Y486-Q489 PolarHBondContact O-N 2.88Å; Q487-Q489 VanDerWaalsContact C-N 3.34Å; Q489-L491 VanDerWaalsContact C-N 3.32Å; Q489-L491 PolarHBondContact O-N 2.66Å; Q489-V492 PolarHBondContact O-N 3.09Å; Q489-S493 PolarHBondContact NE2-OG 2.9Å; Q489-S493 VanDerWaalsContact O-CB 3.3Å; Q489-S493 WeakPolarHBondContact O-CB 3.3Å; Q489-S493 PolarHBondContact O-N 3.08Å; Q489-S493 PolarHBondContact O-OG 3.06Å
490Q89.8Confident89.1Confident93 Ų9356.2 Ų56.244%0.43530%0.303SS..Hα-helixtrans-60.4-42175.8-73.6-166.8-34.700112.3Y486 Q487 L488 K494Y486-Q490 HydrophobicContact CD1-CG 4.5Å; Y486-Q490 VanDerWaalsContact CE1-CD 3.43Å; Y486-Q490 HydrophobicContact CE1-CG 4.17Å; Y486-Q490 HydrophobicContact CE2-CG 4.48Å; Y486-Q490 WeakPolarHBondContact O-CG 3.37Å; Y486-Q490 PolarHBondContact O-N 2.75Å; Y486-Q490 PolarHBondContact OH-NE2 3.47Å; Q487-Q490 PolarHBondContact O-N 2.92Å; L488-Q490 PolarHBondContact O-N 3.43Å; Q490-K494 VanDerWaalsContact O-CB 3.25Å; Q490-K494 WeakPolarHBondContact O-CB 3.3Å; Q490-K494 PolarHBondContact O-N 2.92Å
491L92.4Very high89.1Confident18 Ų1858.9 Ų58.99%0.09432%0.318CS..Hα-helixtrans-59.3-54.7176.6-18075.2000111A457 P472 V474 Q487 L488 Q489 S493 K494 L495A457-L491 HydrophobicContact CB-CD1 4.39Å; A457-L491 HydrophobicContact CB-CD2 3.81Å; A457-L491 HydrophobicContact CB-CG 4.33Å; P472-L491 HydrophobicContact CB-CD1 3.67Å; V474-L491 HydrophobicContact CB-CD2 4.43Å; V474-L491 HydrophobicContact CG2-CB 4.03Å; V474-L491 HydrophobicContact CG2-CD1 4.27Å; V474-L491 HydrophobicContact CG2-CD2 3.76Å; V474-L491 HydrophobicContact CG2-CG 4.24Å; Q487-L491 WeakPolarHBondContact O-CB 3.49Å; Q487-L491 PolarHBondContact O-N 3.45Å; L488-L491 HydrophobicContact CD2-CD2 4.47Å; L488-L491 WeakPolarHBondContact O-CB 3.34Å; L488-L491 PolarHBondContact O-N 2.83Å; Q489-L491 VanDerWaalsContact C-N 3.32Å; Q489-L491 PolarHBondContact O-N 2.66Å; L491-S493 PolarHBondContact O-N 3.28Å; L491-K494 PolarHBondContact O-N 3.36Å; L491-L495 HydrophobicContact CD1-CD1 4.12Å; L491-L495 HydrophobicContact CG-CD1 3.97Å; L491-L495 WeakPolarHBondContact O-CG 3.27Å; L491-L495 PolarHBondContact O-N 2.64Å
492V91.6Very high89Confident3 Ų359.9 Ų59.92%0.01832%0.321CS..Hα-helixtrans-61.2-46.4-178.8170.70000111L405 L407 I429 Y430 F433 L488 Q489 K494 L495 A496L405-V492 HydrophobicContact CD1-CG1 4.23Å; L407-V492 HydrophobicContact CD1-CG2 3.91Å; I429-V492 HydrophobicContact CG2-CB 4.21Å; I429-V492 HydrophobicContact CG2-CG2 3.93Å; Y430-V492 WeakPolarHBondContact O-CG1 3.43Å; F433-V492 HydrophobicContact CD1-CG1 3.86Å; F433-V492 HydrophobicContact CD1-CG2 4.11Å; F433-V492 HydrophobicContact CE1-CG1 4.34Å; F433-V492 HydrophobicContact CE1-CG2 4.38Å; L488-V492 WeakPolarHBondContact O-CG2 3.35Å; L488-V492 PolarHBondContact O-N 3.32Å; Q489-V492 PolarHBondContact O-N 3.09Å; V492-K494 VanDerWaalsContact C-N 3.28Å; V492-K494 PolarHBondContact O-N 3.03Å; V492-L495 PolarHBondContact O-N 3.02Å; V492-A496 WeakPolarHBondContact O-CB 3.5Å; V492-A496 PolarHBondContact O-N 3.01Å
493S86.9Confident89.2Confident17 Ų1753.9 Ų53.912%0.11929%0.289CS..Hα-helixtrans-63.3-33.3178.9-60.20000112.7T352 Q489 L491T352-S493 PolarHBondContact O-OG 3.16Å; Q489-S493 PolarHBondContact NE2-OG 2.9Å; Q489-S493 VanDerWaalsContact O-CB 3.3Å; Q489-S493 WeakPolarHBondContact O-CB 3.3Å; Q489-S493 PolarHBondContact O-N 3.08Å; Q489-S493 PolarHBondContact O-OG 3.06Å; L491-S493 PolarHBondContact O-N 3.28Å
494K87.3Confident89.2Confident169 Ų16948.4 Ų48.474%0.73527%0.266SS*.Hα-helixtrans-71.9-38.6175.3-176.5-177.4176.6-1720112.3Q490 L491 V492Q490-K494 VanDerWaalsContact O-CB 3.25Å; Q490-K494 WeakPolarHBondContact O-CB 3.3Å; Q490-K494 PolarHBondContact O-N 2.92Å; L491-K494 PolarHBondContact O-N 3.36Å; V492-K494 VanDerWaalsContact C-N 3.28Å; V492-K494 PolarHBondContact O-N 3.03Å
495L89.9Confident88.9Confident31 Ų3151.6 Ų51.616%0.16228%0.284CS..Hα-helixtrans-78.5-26.2-178.5-69.3172000113.8L405 D456 A457 P472 L491 V492 G497L405-L495 HydrophobicContact CD1-CB 3.62Å; L405-L495 HydrophobicContact CD2-CB 4.03Å; L405-L495 HydrophobicContact CG-CB 4.49Å; D456-L495 HydrophobicContact CB-CD1 4.44Å; A457-L495 HydrophobicContact CB-CD1 3.68Å; P472-L495 HydrophobicContact CB-CD1 4.32Å; P472-L495 HydrophobicContact CB-CD2 4.16Å; P472-L495 HydrophobicContact CG-CD2 3.89Å; L491-L495 HydrophobicContact CD1-CD1 4.12Å; L491-L495 HydrophobicContact CG-CD1 3.97Å; L491-L495 WeakPolarHBondContact O-CG 3.27Å; L491-L495 PolarHBondContact O-N 2.64Å; V492-L495 PolarHBondContact O-N 3.02Å; L495-G497 VanDerWaalsContact C-N 3.34Å
496A83.7Confident88.6Confident26 Ų2653.4 Ų53.422%0.21529%0.293CS..Hα-helixtrans-76.6-20.4176.200000113.3L405 V492L405-A496 HydrophobicContact CD1-CB 4.48Å; V492-A496 WeakPolarHBondContact O-CB 3.5Å; V492-A496 PolarHBondContact O-N 3.01Å
497G74.6Confident88.6Confident87 Ų8747.9 Ų47.990%0.89728%0.279SS*.  trans-86.20176.700000113.3L495L495-G497 VanDerWaalsContact C-N 3.34Å

Retrieved 497 of 497 residues in 542.4 ms (Link to these results)

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