A0A096MQ76_PAPAN Loading...

Spermatosis associated 2 like

AlphaFold DB (F7HEM4), UniProt , Accession A0A096MQ76, Species PAPAN (Papio anubis, Olive baboon), Gene SPATA2L, Length 424 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
1M37.8Very low74Confident227 Ų22767.8 Ų67.8100%1.11839%0.388SS*.  000-77.5-165.1175.400113.8
2G49.1Very low75.6Confident39 Ų3968.1 Ų68.140%0.40239%0.387SS..Hα-helixtrans-90.6-24.5-171.600000117.5S5 L6G2-S5 PolarHBondContact O-OG 3.49Å; G2-L6 VanDerWaalsContact O-CG 3.3Å; G2-L6 WeakPolarHBondContact O-CG 3.28Å; G2-L6 PolarHBondContact O-N 3.35Å
3S54.9Low76.8Confident55 Ų5563.5 Ų63.539%0.38536%0.362SS..Hα-helixtrans-74-33.2-175.156.10000113.5S7S3-S7 WeakPolarHBondContact O-CB 3.35Å; S3-S7 PolarHBondContact O-N 3.33Å; S3-S7 PolarHBondContact O-OG 2.99Å
4S60.5Low77.9Confident80 Ų8059.2 Ų59.256%0.55934%0.337SS*.Hα-helixtrans-69.9-38.1178.650.60000112.4E8S4-E8 PolarHBondContact O-N 3.07Å
5S78.1Confident78.8Confident57 Ų5758 Ų5840%0.39933%0.327SS..Hα-helixtrans-69.7-43.3175.956.10000111.6G2 S7 E8 D9G2-S5 PolarHBondContact O-OG 3.49Å; S5-S7 VanDerWaalsContact C-N 3.32Å; S5-S7 PolarHBondContact O-N 3.27Å; S5-E8 PolarHBondContact O-N 2.96Å; S5-D9 PolarHBondContact O-N 2.77Å
6L83.8Confident79.5Confident7 Ų762 Ų624%0.03734%0.336CS..Hα-helixtrans-62.4-38.8177.3-70.9171.4000112.6G2 E8 D9 Y10 V34 L35 I38 L45 L153G2-L6 VanDerWaalsContact O-CG 3.3Å; G2-L6 WeakPolarHBondContact O-CG 3.28Å; G2-L6 PolarHBondContact O-N 3.35Å; L6-E8 VanDerWaalsContact C-N 3.32Å; L6-D9 PolarHBondContact O-N 3.45Å; L6-Y10 VanDerWaalsContact O-CB 3.28Å; L6-Y10 WeakPolarHBondContact O-CB 3.48Å; L6-Y10 PolarHBondContact O-N 3.3Å; L6-V34 HydrophobicContact CD2-CG1 4.16Å; L6-L35 HydrophobicContact CD1-CD1 4.28Å; L6-I38 HydrophobicContact CD1-CD1 3.86Å; L6-I38 HydrophobicContact CD2-CD1 4Å; L6-I38 HydrophobicContact CG-CD1 4.41Å; L6-L45 HydrophobicContact CD1-CD2 4.41Å; L6-L153 HydrophobicContact CB-CD2 4.21Å
7S87Confident80Confident28 Ų2860.6 Ų60.620%0.19633%0.327CS..Hα-helixtrans-64.1-39.1176.2-60.20000111.9S3 S5 R11S3-S7 WeakPolarHBondContact O-CB 3.35Å; S3-S7 PolarHBondContact O-N 3.33Å; S3-S7 PolarHBondContact O-OG 2.99Å; S5-S7 VanDerWaalsContact C-N 3.32Å; S5-S7 PolarHBondContact O-N 3.27Å; S7-R11 WeakPolarHBondContact O-CB 3.35Å; S7-R11 PolarHBondContact O-N 2.77Å
8E88.3Confident80.5Confident100 Ų10060.7 Ų60.747%0.46733%0.326SS..Hα-helixtrans-69.3-44.7175.9-178.7133-127.700112.1S4 S5 L6 Y10 R11 L12S4-E8 PolarHBondContact O-N 3.07Å; S5-E8 PolarHBondContact O-N 2.96Å; L6-E8 VanDerWaalsContact C-N 3.32Å; E8-Y10 VanDerWaalsContact C-N 3.33Å; E8-Y10 PolarHBondContact O-N 3.31Å; E8-R11 WeakPolarHBondContact O-CB 3.39Å; E8-R11 PolarHBondContact O-N 3.05Å; E8-R11 IonicContact OE1-CZ 3.45Å; E8-R11 IonicContact OE1-NH2 2.71Å; E8-R11 PolarHBondContact OE1-NH2 3.16Å; E8-L12 HydrophobicContact CG-CD1 4.12Å; E8-L12 HydrophobicContact CG-CG 4.44Å; E8-L12 WeakPolarHBondContact O-CB 3.37Å; E8-L12 VanDerWaalsContact O-CG 3.3Å; E8-L12 WeakPolarHBondContact O-CG 3.47Å; E8-L12 PolarHBondContact O-N 3.01Å
9D88.8Confident80.9Confident82 Ų8267.8 Ų67.844%0.43935%0.348SS..Hα-helixtrans-61.1-43.1177.1-70.3-28.9000111.7S5 L6 L12 C13 L31S5-D9 PolarHBondContact O-N 2.77Å; L6-D9 PolarHBondContact O-N 3.45Å; D9-L12 PolarHBondContact O-N 3.42Å; D9-C13 WeakPolarHBondContact O-CB 3.28Å; D9-C13 PolarHBondContact O-N 3.07Å; D9-L31 HydrophobicContact CB-CD1 4.07Å
10Y92.4Very high81.2Confident0 Ų071.8 Ų71.80%036%0.359CS..Hα-helixtrans-62.5-45.8174.6-174.3-94.2000111.7L6 E8 L12 C13 L14 C26 L31 E82 V149 A152 L153 F156L6-Y10 VanDerWaalsContact O-CB 3.28Å; L6-Y10 WeakPolarHBondContact O-CB 3.48Å; L6-Y10 PolarHBondContact O-N 3.3Å; E8-Y10 VanDerWaalsContact C-N 3.33Å; E8-Y10 PolarHBondContact O-N 3.31Å; Y10-L12 PolarHBondContact O-N 2.83Å; Y10-C13 WeakPolarHBondContact O-CB 3.37Å; Y10-C13 PolarHBondContact O-N 3.44Å; Y10-L14 HydrophobicContact CD1-CD1 3.97Å; Y10-L14 HydrophobicContact CD1-CG 4.26Å; Y10-L14 HydrophobicContact CE1-CD1 3.48Å; Y10-L14 VanDerWaalsContact CE1-CD1 3.48Å; Y10-L14 HydrophobicContact CE1-CD2 4.32Å; Y10-L14 HydrophobicContact CE1-CG 3.94Å; Y10-L14 WeakPolarHBondContact O-CG 3.38Å; Y10-L14 PolarHBondContact O-N 3.48Å; Y10-C26 HydrophobicContact CD2-CB 3.95Å; Y10-C26 HydrophobicContact CE2-CB 3.27Å; Y10-L31 HydrophobicContact CD2-CD2 3.76Å; Y10-L31 HydrophobicContact CG-CD2 4.26Å; Y10-E82 WeakPolarHBondContact OH-CG 3.49Å; Y10-E82 PolarHBondContact OH-OE1 3.44Å; Y10-V149 HydrophobicContact CD1-CG1 4.17Å; Y10-A152 HydrophobicContact CE1-CB 3.72Å; Y10-L153 HydrophobicContact CD1-CB 4.28Å; Y10-L153 HydrophobicContact CD2-CD1 3.91Å; Y10-L153 HydrophobicContact CG-CB 4.37Å; Y10-L153 HydrophobicContact CG-CD1 4.07Å; Y10-F156 AromaticContact CD2-CD1 3.91Å; Y10-F156 HydrophobicContact CD2-CD1 3.91Å; Y10-F156 HydrophobicContact CD2-CE1 4.45Å; Y10-F156 HydrophobicContact CE2-CB 4.03Å; Y10-F156 AromaticContact CE2-CD1 3.71Å; Y10-F156 HydrophobicContact CE2-CD1 3.71Å; Y10-F156 HydrophobicContact CE2-CE1 4.46Å; Y10-F156 HydrophobicContact CE2-CG 4.03Å
11R93.7Very high81.3Confident71 Ų7171.8 Ų71.827%0.26838%0.376SS..Hα-helixtrans-57.4-48.6175.2-176-173.464.184.6-4.6111.8S7 E8 C13 L14 E15 Y89 V149S7-R11 WeakPolarHBondContact O-CB 3.35Å; S7-R11 PolarHBondContact O-N 2.77Å; E8-R11 WeakPolarHBondContact O-CB 3.39Å; E8-R11 PolarHBondContact O-N 3.05Å; E8-R11 IonicContact OE1-CZ 3.45Å; E8-R11 IonicContact OE1-NH2 2.71Å; E8-R11 PolarHBondContact OE1-NH2 3.16Å; R11-C13 VanDerWaalsContact C-N 3.26Å; R11-C13 PolarHBondContact O-N 3.35Å; R11-L14 PolarHBondContact O-N 3.47Å; R11-E15 IonicContact CZ-OE1 2.7Å; R11-E15 IonicContact NH1-OE1 3.95Å; R11-E15 PolarHBondContact NH1-OE1 3.33Å; R11-E15 IonicContact NH1-OE2 3.19Å; R11-E15 PolarHBondContact NH1-OE2 3.44Å; R11-E15 WeakPolarHBondContact O-CG 3.23Å; R11-E15 PolarHBondContact O-N 3.32Å; R11-Y89 HydrophobicContact CG-CE1 4.35Å; R11-Y89 VanDerWaalsContact CG-OH 3.25Å; R11-Y89 WeakPolarHBondContact CG-OH 3.42Å; R11-V149 HydrophobicContact CB-CG1 4.16Å; R11-V149 HydrophobicContact CB-CG2 4.47Å; R11-V149 HydrophobicContact CG-CG2 4.35Å
12L92.3Very high83.4Confident71 Ų7166.5 Ų66.537%0.37234%0.344SS..Hα-helixtrans-62.8-35.1179.2-71.5173.9000111.7E8 D9 Y10 R16E8-L12 HydrophobicContact CG-CD1 4.12Å; E8-L12 HydrophobicContact CG-CG 4.44Å; E8-L12 WeakPolarHBondContact O-CB 3.37Å; E8-L12 VanDerWaalsContact O-CG 3.3Å; E8-L12 WeakPolarHBondContact O-CG 3.47Å; E8-L12 PolarHBondContact O-N 3.01Å; D9-L12 PolarHBondContact O-N 3.42Å; Y10-L12 PolarHBondContact O-N 2.83Å; L12-R16 VanDerWaalsContact O-CB 3.3Å; L12-R16 WeakPolarHBondContact O-CB 3.38Å; L12-R16 PolarHBondContact O-N 3.18Å
13C92.3Very high85Confident9 Ų966.2 Ų66.26%0.06134%0.338CS..Hα-helixtrans-62.2-52.2173.2-176.60000111.5D9 Y10 R11 E15 R16 E17 D28 L31D9-C13 WeakPolarHBondContact O-CB 3.28Å; D9-C13 PolarHBondContact O-N 3.07Å; Y10-C13 WeakPolarHBondContact O-CB 3.37Å; Y10-C13 PolarHBondContact O-N 3.44Å; R11-C13 VanDerWaalsContact C-N 3.26Å; R11-C13 PolarHBondContact O-N 3.35Å; C13-E15 VanDerWaalsContact C-N 3.34Å; C13-E15 PolarHBondContact O-N 3.01Å; C13-R16 WeakPolarHBondContact O-CB 3.21Å; C13-R16 PolarHBondContact O-N 3Å; C13-R16 VanDerWaalsContact O-N 3.16Å; C13-E17 WeakPolarHBondContact O-CG 3.17Å; C13-E17 PolarHBondContact O-N 2.92Å; C13-D28 WeakPolarHBondContact SG-CB 3.45Å; C13-L31 HydrophobicContact CB-CD2 4.27Å
14L91.3Very high86.4Confident3 Ų365 Ų652%0.01633%0.334CS..Hα-helixtrans-58.2-44.6178.5-66.2-178.3000112.4Y10 R11 R16 E17 L18 V86 Y89 L90Y10-L14 HydrophobicContact CD1-CD1 3.97Å; Y10-L14 HydrophobicContact CD1-CG 4.26Å; Y10-L14 HydrophobicContact CE1-CD1 3.48Å; Y10-L14 VanDerWaalsContact CE1-CD1 3.48Å; Y10-L14 HydrophobicContact CE1-CD2 4.32Å; Y10-L14 HydrophobicContact CE1-CG 3.94Å; Y10-L14 WeakPolarHBondContact O-CG 3.38Å; Y10-L14 PolarHBondContact O-N 3.48Å; R11-L14 PolarHBondContact O-N 3.47Å; L14-R16 VanDerWaalsContact C-N 3.32Å; L14-R16 PolarHBondContact O-N 3.09Å; L14-E17 PolarHBondContact O-N 3.33Å; L14-L18 PolarHBondContact O-N 2.73Å; L14-V86 HydrophobicContact CD1-CG1 4.36Å; L14-V86 HydrophobicContact CD1-CG2 3.9Å; L14-V86 HydrophobicContact CD2-CG1 4.06Å; L14-V86 HydrophobicContact CD2-CG2 3.99Å; L14-Y89 HydrophobicContact CD1-CD1 4.05Å; L14-Y89 HydrophobicContact CD1-CE1 4.36Å; L14-L90 HydrophobicContact CB-CD1 4.49Å; L14-L90 HydrophobicContact CB-CD2 4.25Å
15E91.6Very high87.8Confident41 Ų4162.9 Ų62.919%0.19232%0.318CS..Hα-helixtrans-65.6-35.5178.9-73.7177.3-159.300112.8R11 C13 L18 R19 Y89R11-E15 IonicContact CZ-OE1 2.7Å; R11-E15 IonicContact NH1-OE1 3.95Å; R11-E15 PolarHBondContact NH1-OE1 3.33Å; R11-E15 IonicContact NH1-OE2 3.19Å; R11-E15 PolarHBondContact NH1-OE2 3.44Å; R11-E15 WeakPolarHBondContact O-CG 3.23Å; R11-E15 PolarHBondContact O-N 3.32Å; C13-E15 VanDerWaalsContact C-N 3.34Å; C13-E15 PolarHBondContact O-N 3.01Å; E15-L18 PolarHBondContact O-N 3.43Å; E15-R19 VanDerWaalsContact O-CG 3.29Å; E15-R19 WeakPolarHBondContact O-CG 3.4Å; E15-R19 PolarHBondContact O-N 2.85Å; E15-R19 VanDerWaalsContact O-N 3.08Å; E15-R19 IonicContact OE2-NH2 3.73Å; E15-Y89 PolarHBondContact OE1-OH 3.47Å
16R90.7Very high88.1Confident122 Ų12260.4 Ų60.446%0.4630%0.3SS..Hα-helixtrans-65.1-43.3175.1-176.4-171.5-60.2174.2-0.3110.8L12 C13 L14 R19 R20L12-R16 VanDerWaalsContact O-CB 3.3Å; L12-R16 WeakPolarHBondContact O-CB 3.38Å; L12-R16 PolarHBondContact O-N 3.18Å; C13-R16 WeakPolarHBondContact O-CB 3.21Å; C13-R16 PolarHBondContact O-N 3Å; C13-R16 VanDerWaalsContact O-N 3.16Å; L14-R16 VanDerWaalsContact C-N 3.32Å; L14-R16 PolarHBondContact O-N 3.09Å; R16-R19 PolarHBondContact O-N 3.48Å; R16-R20 WeakPolarHBondContact O-CG 3.35Å; R16-R20 PolarHBondContact O-N 3.46Å
17E87.2Confident88.1Confident39 Ų3963.3 Ų63.318%0.18233%0.332CS..Hα-helixtrans-66.4-38.9177.2-69.7-59.3109.300111.8C13 L14 R19 R20 G21 R22C13-E17 WeakPolarHBondContact O-CG 3.17Å; C13-E17 PolarHBondContact O-N 2.92Å; L14-E17 PolarHBondContact O-N 3.33Å; E17-R19 VanDerWaalsContact C-N 3.33Å; E17-R19 PolarHBondContact O-N 2.84Å; E17-R20 CarbonylContact O-C 3.55Å; E17-R20 WeakPolarHBondContact O-CA 3.43Å; E17-R20 WeakPolarHBondContact O-CB 3.27Å; E17-R20 PolarHBondContact O-N 3.32Å; E17-R20 WeakPolarHBondContact OE1-CD 3.44Å; E17-R20 IonicContact OE1-CZ 3.11Å; E17-R20 IonicContact OE1-NH1 3.71Å; E17-R20 PolarHBondContact OE1-NH1 3.21Å; E17-G21 PolarHBondContact O-N 3.21Å; E17-R22 CarbonylContact C-O 3.47Å; E17-R22 HydrophobicContact CB-CB 4.47Å; E17-R22 PolarHBondContact O-N 3.49Å; E17-R22 VanDerWaalsContact O-O 3.11Å; E17-R22 IonicContact OE1-NH2 2.97Å; E17-R22 PolarHBondContact OE1-NH2 3.24Å; E17-R22 IonicContact OE2-CZ 2.8Å; E17-R22 IonicContact OE2-NE 3.91Å; E17-R22 PolarHBondContact OE2-NE 3.03Å; E17-R22 IonicContact OE2-NH2 3.23Å; E17-R22 PolarHBondContact OE2-NH2 3.43Å
18L88.5Confident88.2Confident62 Ų6263.9 Ų63.933%0.32533%0.333SS..Hα-helixtrans-60.4-41.9173.8-176.465.2000112L14 E15 R20 G21 R22 A23 L90L14-L18 PolarHBondContact O-N 2.73Å; E15-L18 PolarHBondContact O-N 3.43Å; L18-R20 PolarHBondContact O-N 3.43Å; L18-G21 WeakPolarHBondContact O-CA 3.4Å; L18-G21 PolarHBondContact O-N 2.98Å; L18-R22 WeakPolarHBondContact CA-O 3.34Å; L18-R22 PolarHBondContact N-O 2.71Å; L18-R22 VanDerWaalsContact N-O 3.16Å; L18-A23 HydrophobicContact CD1-CB 4.35Å; L18-L90 HydrophobicContact CB-CD1 4.42Å; L18-L90 HydrophobicContact CB-CD2 4.45Å; L18-L90 HydrophobicContact CD2-CB 4.33Å; L18-L90 HydrophobicContact CD2-CD2 4.02Å
19R88.2Confident88.2Confident196 Ų19663.5 Ų63.574%0.7434%0.339SS*.Hα-helixtrans-62.7-24.1175.3-70169.4-162.6163.710.1112.8E15 R16 E17 G21E15-R19 VanDerWaalsContact O-CG 3.29Å; E15-R19 WeakPolarHBondContact O-CG 3.4Å; E15-R19 PolarHBondContact O-N 2.85Å; E15-R19 VanDerWaalsContact O-N 3.08Å; E15-R19 IonicContact OE2-NH2 3.73Å; R16-R19 PolarHBondContact O-N 3.48Å; E17-R19 VanDerWaalsContact C-N 3.33Å; E17-R19 PolarHBondContact O-N 2.84Å; R19-G21 VanDerWaalsContact C-N 3.27Å
20R87Confident88.2Confident147 Ų14763.6 Ų63.656%0.55535%0.346SS*.THydrogen-bonded Turntrans-86.64.4173.4-65.4170.6173.3158.5-5.8112.8R16 E17 L18R16-R20 WeakPolarHBondContact O-CG 3.35Å; R16-R20 PolarHBondContact O-N 3.46Å; E17-R20 CarbonylContact O-C 3.55Å; E17-R20 WeakPolarHBondContact O-CA 3.43Å; E17-R20 WeakPolarHBondContact O-CB 3.27Å; E17-R20 PolarHBondContact O-N 3.32Å; E17-R20 WeakPolarHBondContact OE1-CD 3.44Å; E17-R20 IonicContact OE1-CZ 3.11Å; E17-R20 IonicContact OE1-NH1 3.71Å; E17-R20 PolarHBondContact OE1-NH1 3.21Å; L18-R20 PolarHBondContact O-N 3.43Å
21G83.3Confident88.1Confident71 Ų7164.2 Ų64.273%0.73235%0.35SS*.THydrogen-bonded Turntrans81.514.2-179.500000114.3E17 L18 R19E17-G21 PolarHBondContact O-N 3.21Å; L18-G21 WeakPolarHBondContact O-CA 3.4Å; L18-G21 PolarHBondContact O-N 2.98Å; R19-G21 VanDerWaalsContact C-N 3.27Å
22R83.6Confident88Confident117 Ų11764.8 Ų64.844%0.44235%0.352SS..  trans-109.1127.9179.3-64.7-171-69.4-1225.2110.5E17 L18E17-R22 CarbonylContact C-O 3.47Å; E17-R22 HydrophobicContact CB-CB 4.47Å; E17-R22 PolarHBondContact O-N 3.49Å; E17-R22 VanDerWaalsContact O-O 3.11Å; E17-R22 IonicContact OE1-NH2 2.97Å; E17-R22 PolarHBondContact OE1-NH2 3.24Å; E17-R22 IonicContact OE2-CZ 2.8Å; E17-R22 IonicContact OE2-NE 3.91Å; E17-R22 PolarHBondContact OE2-NE 3.03Å; E17-R22 IonicContact OE2-NH2 3.23Å; E17-R22 PolarHBondContact OE2-NH2 3.43Å; L18-R22 WeakPolarHBondContact CA-O 3.34Å; L18-R22 PolarHBondContact N-O 2.71Å; L18-R22 VanDerWaalsContact N-O 3.16Å
23A82.1Confident87.8Confident32 Ų3264.2 Ų64.226%0.26436%0.357SS..  trans-121.964175.600000109.5L18 H87 L90 L91L18-A23 HydrophobicContact CD1-CB 4.35Å; A23-H87 PolarHBondContact O-CD2 3.45Å; A23-H87 PolarHBondContact O-NE2 2.8Å; A23-L90 HydrophobicContact CB-CD1 4.43Å; A23-L91 HydrophobicContact CB-CD1 3.97Å
24G85.1Confident87.6Confident31 Ų3167.3 Ų67.332%0.3238%0.376SS..  trans-119.9176.1-18000000112
25V88.1Confident87.5Confident35 Ų3567.1 Ų67.121%0.21238%0.375CS..SBendtrans-56.4161.3171.4-65.80000112.1G27 E79 E82 L83V25-G27 PolarHBondContact O-N 3.42Å; V25-E79 HydrophobicContact CG1-CG 4.05Å; V25-E79 WeakPolarHBondContact CG1-O 3.38Å; V25-E79 HydrophobicContact CG2-CG 4.11Å; V25-E82 HydrophobicContact CB-CG 4.2Å; V25-E82 WeakPolarHBondContact CB-OE1 3.49Å; V25-E82 HydrophobicContact CG1-CB 3.95Å; V25-E82 HydrophobicContact CG1-CG 3.76Å; V25-L83 HydrophobicContact CG1-CB 3.86Å; V25-L83 HydrophobicContact CG1-CD1 4.13Å
26C85.3Confident87.4Confident4 Ų468 Ų683%0.02738%0.377CS..  trans-67120.8178.2-178.20000111Y10 E82 R159Y10-C26 HydrophobicContact CD2-CB 3.95Å; Y10-C26 HydrophobicContact CE2-CB 3.27Å; C26-E82 PolarHBondContact N-OE1 3.47Å; C26-R159 PolarHBondContact O-NH2 3.27Å; C26-R159 VanDerWaalsContact O-NH2 3.16Å
27G83.3Confident87.3Confident69 Ų6967.2 Ų67.271%0.71138%0.378SS*.  trans-117.513.8173.300000113.4V25 P29V25-G27 PolarHBondContact O-N 3.42Å; G27-P29 WeakPolarHBondContact O-CD 3.34Å
28D89Confident87.3Confident40 Ų4067.9 Ų67.921%0.21438%0.382CS..  trans-70.6119.9-179.3-176.983000110.6C13 S30 L31 R32C13-D28 WeakPolarHBondContact SG-CB 3.45Å; D28-S30 VanDerWaalsContact C-N 3.29Å; D28-S30 PolarHBondContact O-N 2.92Å; D28-S30 WeakPolarHBondContact OD2-CB 3.21Å; D28-S30 PolarHBondContact OD2-N 3.25Å; D28-L31 HydrophobicContact CB-CB 4.26Å; D28-L31 PolarHBondContact OD2-N 3.02Å; D28-R32 VanDerWaalsContact O-CB 3.29Å; D28-R32 WeakPolarHBondContact O-CB 3.44Å; D28-R32 PolarHBondContact O-N 3.24Å
29P89.1Confident87.3Confident92 Ų9264.9 Ų64.960%0.59737%0.367SS*.Hα-helixtrans-69.2-29.5-173.527.4-34.5000112.3G27 A33G27-P29 WeakPolarHBondContact O-CD 3.34Å; P29-A33 VanDerWaalsContact O-CB 3.31Å; P29-A33 WeakPolarHBondContact O-CB 3.33Å; P29-A33 PolarHBondContact O-N 3.35Å
30S88.8Confident87.3Confident84 Ų8456.2 Ų56.259%0.58734%0.335SS*.Hα-helixtrans-71.5-48.8179.5-60.10000111D28 R32 A33 V34D28-S30 VanDerWaalsContact C-N 3.29Å; D28-S30 PolarHBondContact O-N 2.92Å; D28-S30 WeakPolarHBondContact OD2-CB 3.21Å; D28-S30 PolarHBondContact OD2-N 3.25Å; S30-R32 VanDerWaalsContact C-N 3.31Å; S30-R32 PolarHBondContact O-N 3.38Å; S30-A33 PolarHBondContact O-N 2.97Å; S30-V34 WeakPolarHBondContact O-CG2 3.39Å; S30-V34 PolarHBondContact O-N 3.41Å
31L89.3Confident87.1Confident13 Ų1355.1 Ų55.17%0.06834%0.337CS..Hα-helixtrans-63.6-39.8176.5-176.159.3000111.6D9 Y10 C13 D28 V34 L35 F156D9-L31 HydrophobicContact CB-CD1 4.07Å; Y10-L31 HydrophobicContact CD2-CD2 3.76Å; Y10-L31 HydrophobicContact CG-CD2 4.26Å; C13-L31 HydrophobicContact CB-CD2 4.27Å; D28-L31 HydrophobicContact CB-CB 4.26Å; D28-L31 PolarHBondContact OD2-N 3.02Å; L31-V34 PolarHBondContact O-N 3Å; L31-L35 WeakPolarHBondContact O-CB 3.47Å; L31-L35 PolarHBondContact O-N 3.48Å; L31-F156 HydrophobicContact CG-CE1 4.39Å
32R92.2Very high87Confident82 Ų8255.3 Ų55.331%0.30932%0.321SS..Hα-helixtrans-58-48.5172.5175.8177.71611023.1111.8D28 S30 L35 W36 F156 L160 E163D28-R32 VanDerWaalsContact O-CB 3.29Å; D28-R32 WeakPolarHBondContact O-CB 3.44Å; D28-R32 PolarHBondContact O-N 3.24Å; S30-R32 VanDerWaalsContact C-N 3.31Å; S30-R32 PolarHBondContact O-N 3.38Å; R32-L35 PolarHBondContact O-N 2.85Å; R32-W36 WeakPolarHBondContact O-CB 3.27Å; R32-W36 PolarHBondContact O-N 3.42Å; R32-F156 HydrophobicContact CB-CZ 4.02Å; R32-F156 HydrophobicContact CG-CZ 4.46Å; R32-L160 HydrophobicContact CG-CD1 4.4Å; R32-L160 HydrophobicContact CG-CD2 3.91Å; R32-E163 IonicContact CZ-OE2 3.87Å; R32-E163 VanDerWaalsContact NH1-CD 3.27Å; R32-E163 IonicContact NH1-OE1 2.69Å; R32-E163 PolarHBondContact NH1-OE1 3.27Å; R32-E163 IonicContact NH1-OE2 3.1Å; R32-E163 PolarHBondContact NH1-OE2 2.97Å; R32-E163 IonicContact NH2-OE2 3.92Å; R32-E163 PolarHBondContact NH2-OE2 2.6Å
33A87.4Confident86.9Confident59 Ų5950.4 Ų50.449%0.48830%0.303SS..Hα-helixtrans-63.1-42.7-179.100000112.1P29 S30 Q37P29-A33 VanDerWaalsContact O-CB 3.31Å; P29-A33 WeakPolarHBondContact O-CB 3.33Å; P29-A33 PolarHBondContact O-N 3.35Å; S30-A33 PolarHBondContact O-N 2.97Å; A33-Q37 PolarHBondContact O-N 2.86Å
34V88.4Confident87Confident74 Ų7453.3 Ų53.345%0.44831%0.314SS..Hα-helixtrans-63-50.8176.51720000110.8L6 S30 L31 W36 Q37 I38L6-V34 HydrophobicContact CD2-CG1 4.16Å; S30-V34 WeakPolarHBondContact O-CG2 3.39Å; S30-V34 PolarHBondContact O-N 3.41Å; L31-V34 PolarHBondContact O-N 3Å; V34-W36 VanDerWaalsContact C-N 3.33Å; V34-W36 PolarHBondContact O-N 3.25Å; V34-Q37 PolarHBondContact O-N 3.2Å; V34-I38 HydrophobicContact CG1-CD1 3.88Å; V34-I38 WeakPolarHBondContact O-CG1 3.23Å; V34-I38 PolarHBondContact O-N 3.48Å; V34-I38 VanDerWaalsContact O-N 3.11Å
35L89.1Confident86.9Confident0 Ų052.6 Ų52.60%030%0.302CS..Hα-helixtrans-64.7-39.3-179-175.460.2000111.6L6 L31 R32 Q37 I38 L39 L45 L153 F156 A157 L160L6-L35 HydrophobicContact CD1-CD1 4.28Å; L31-L35 WeakPolarHBondContact O-CB 3.47Å; L31-L35 PolarHBondContact O-N 3.48Å; R32-L35 PolarHBondContact O-N 2.85Å; L35-Q37 PolarHBondContact O-N 3.01Å; L35-I38 PolarHBondContact O-N 2.78Å; L35-L39 HydrophobicContact CD1-CD1 4.38Å; L35-L39 HydrophobicContact CD1-CG 4.2Å; L35-L39 HydrophobicContact CG-CD1 3.98Å; L35-L39 HydrophobicContact CG-CG 4.26Å; L35-L39 WeakPolarHBondContact O-CB 3.23Å; L35-L39 VanDerWaalsContact O-CG 3.24Å; L35-L39 WeakPolarHBondContact O-CG 3.38Å; L35-L39 PolarHBondContact O-N 2.79Å; L35-L45 HydrophobicContact CD1-CD2 4Å; L35-L153 HydrophobicContact CD2-CD1 4.01Å; L35-F156 HydrophobicContact CD2-CD1 3.41Å; L35-F156 VanDerWaalsContact CD2-CD1 3.41Å; L35-F156 HydrophobicContact CD2-CE1 3.54Å; L35-F156 HydrophobicContact CD2-CG 4.23Å; L35-F156 HydrophobicContact CD2-CZ 4.45Å; L35-A157 HydrophobicContact CD2-CB 4.22Å; L35-L160 HydrophobicContact CB-CD1 3.99Å; L35-L160 HydrophobicContact CD2-CD1 3.8Å; L35-L160 HydrophobicContact CG-CD1 3.88Å
36W90.6Very high86.7Confident60 Ų6051.2 Ų51.223%0.22729%0.294CS..Hα-helixtrans-55.8-50.7173.7-179.3-77.4000111.5R32 V34 I38 L39 V40 L160 E163 I164R32-W36 WeakPolarHBondContact O-CB 3.27Å; R32-W36 PolarHBondContact O-N 3.42Å; V34-W36 VanDerWaalsContact C-N 3.33Å; V34-W36 PolarHBondContact O-N 3.25Å; W36-I38 VanDerWaalsContact C-N 3.33Å; W36-I38 PolarHBondContact O-N 3.22Å; W36-L39 PolarHBondContact O-N 3.35Å; W36-V40 WeakPolarHBondContact O-CG2 3.44Å; W36-V40 PolarHBondContact O-N 2.89Å; W36-L160 HydrophobicContact CE3-CB 4.39Å; W36-L160 HydrophobicContact CE3-CD2 4.38Å; W36-E163 HydrophobicContact CH2-CB 4.06Å; W36-E163 HydrophobicContact CZ3-CB 3.68Å; W36-I164 HydrophobicContact CD2-CD1 4.23Å; W36-I164 HydrophobicContact CD2-CG1 3.87Å; W36-I164 HydrophobicContact CE3-CD1 4.33Å; W36-I164 HydrophobicContact CE3-CG1 3.85Å; W36-I164 HydrophobicContact CH2-CB 4.27Å; W36-I164 HydrophobicContact CH2-CG1 3.51Å; W36-I164 HydrophobicContact CZ2-CB 4.39Å; W36-I164 HydrophobicContact CZ2-CG1 3.52Å; W36-I164 HydrophobicContact CZ3-CG1 3.68Å
37Q87.9Confident86.3Confident104 Ų10453.3 Ų53.349%0.48632%0.316SS..Hα-helixtrans-59.3-45.6-179.1-168.667.725.500111.5A33 V34 L35 L39 V40 E41A33-Q37 PolarHBondContact O-N 2.86Å; V34-Q37 PolarHBondContact O-N 3.2Å; L35-Q37 PolarHBondContact O-N 3.01Å; Q37-L39 PolarHBondContact O-N 3.33Å; Q37-V40 PolarHBondContact O-N 3.2Å; Q37-E41 PolarHBondContact NE2-OE1 2.9Å; Q37-E41 WeakPolarHBondContact O-CG 3.45Å; Q37-E41 PolarHBondContact O-N 3.18Å
38I87.9Confident86.1Confident53 Ų5352.9 Ų52.927%0.27231%0.306SS..Hα-helixtrans-64-43.6178.6-61167.4000110.6L6 V34 L35 W36 E41 D42 L45L6-I38 HydrophobicContact CD1-CD1 3.86Å; L6-I38 HydrophobicContact CD2-CD1 4Å; L6-I38 HydrophobicContact CG-CD1 4.41Å; V34-I38 HydrophobicContact CG1-CD1 3.88Å; V34-I38 WeakPolarHBondContact O-CG1 3.23Å; V34-I38 PolarHBondContact O-N 3.48Å; V34-I38 VanDerWaalsContact O-N 3.11Å; L35-I38 PolarHBondContact O-N 2.78Å; W36-I38 VanDerWaalsContact C-N 3.33Å; W36-I38 PolarHBondContact O-N 3.22Å; I38-E41 PolarHBondContact O-N 3.34Å; I38-D42 PolarHBondContact O-N 3.47Å; I38-L45 HydrophobicContact CB-CD2 4.38Å; I38-L45 HydrophobicContact CG2-CD2 3.55Å
39L88.4Confident85.7Confident0 Ų051.3 Ų51.30%030%0.298CS..Hα-helixtrans-62.7-45.5179.5-74.8175.3000111.4L35 W36 Q37 E41 D42 L45 H46 A157 L160 I164 R186L35-L39 HydrophobicContact CD1-CD1 4.38Å; L35-L39 HydrophobicContact CD1-CG 4.2Å; L35-L39 HydrophobicContact CG-CD1 3.98Å; L35-L39 HydrophobicContact CG-CG 4.26Å; L35-L39 WeakPolarHBondContact O-CB 3.23Å; L35-L39 VanDerWaalsContact O-CG 3.24Å; L35-L39 WeakPolarHBondContact O-CG 3.38Å; L35-L39 PolarHBondContact O-N 2.79Å; W36-L39 PolarHBondContact O-N 3.35Å; Q37-L39 PolarHBondContact O-N 3.33Å; L39-E41 PolarHBondContact O-N 2.95Å; L39-D42 CarbonylContact O-C 3.57Å; L39-D42 PolarHBondContact O-N 3.17Å; L39-L45 HydrophobicContact CD2-CB 4.33Å; L39-L45 HydrophobicContact CD2-CD2 3.95Å; L39-L45 HydrophobicContact CD2-CG 4.36Å; L39-H46 VanDerWaalsContact CD2-CE1 3.42Å; L39-H46 WeakPolarHBondContact CD2-CE1 3.38Å; L39-A157 HydrophobicContact CD1-CB 4.09Å; L39-A157 HydrophobicContact CD2-CB 4.37Å; L39-L160 HydrophobicContact CD1-CB 3.86Å; L39-L160 HydrophobicContact CD1-CD1 4.3Å; L39-I164 HydrophobicContact CB-CD1 3.81Å; L39-R186 PolarHBondContact O-NH2 3.22Å
40V87.9Confident85.3Confident14 Ų1447.3 Ų47.39%0.08527%0.271CS..Hα-helixtrans-52-47.1176.81690000110.6W36 Q37 I164 R186 G190 D191 V192W36-V40 WeakPolarHBondContact O-CG2 3.44Å; W36-V40 PolarHBondContact O-N 2.89Å; Q37-V40 PolarHBondContact O-N 3.2Å; V40-I164 HydrophobicContact CG2-CD1 3.96Å; V40-I164 HydrophobicContact CG2-CG1 4.27Å; V40-I164 HydrophobicContact CG2-CG2 4.49Å; V40-R186 PolarHBondContact O-NH1 2.99Å; V40-G190 CarbonylContact C-O 3.58Å; V40-G190 CarbonylContact O-C 3.39Å; V40-D191 HydrophobicContact CG1-CB 4.12Å; V40-V192 HydrophobicContact CG1-CG2 4.41Å; V40-V192 HydrophobicContact CG2-CG2 4.31Å
41E81.6Confident85.1Confident124 Ų12449.8 Ų49.858%0.57928%0.277SS*.Hα-helixtrans-76.1-34-177.6-67.4173.2-165.300114Q37 I38 L39 G190Q37-E41 PolarHBondContact NE2-OE1 2.9Å; Q37-E41 WeakPolarHBondContact O-CG 3.45Å; Q37-E41 PolarHBondContact O-N 3.18Å; I38-E41 PolarHBondContact O-N 3.34Å; L39-E41 PolarHBondContact O-N 2.95Å; E41-G190 WeakPolarHBondContact CA-O 3.41Å
42D83.1Confident85.2Confident74 Ų7449.9 Ų49.940%0.39628%0.278SS..  trans-135.495-172.6-175.52.5000111.8I38 L39 D44 L45I38-D42 PolarHBondContact O-N 3.47Å; L39-D42 CarbonylContact O-C 3.57Å; L39-D42 PolarHBondContact O-N 3.17Å; D42-D44 VanDerWaalsContact C-N 3.28Å; D42-D44 PolarHBondContact O-N 3.46Å; D42-D44 WeakPolarHBondContact OD1-CA 3.25Å; D42-D44 WeakPolarHBondContact OD1-CB 3.29Å; D42-D44 PolarHBondContact OD1-N 2.93Å; D42-L45 WeakPolarHBondContact O-CB 3.46Å; D42-L45 PolarHBondContact O-N 3.14Å; D42-L45 PolarHBondContact OD1-N 3.45Å
43F81.6Confident85.1Confident15 Ų1546.1 Ų46.17%0.06626%0.264CS..THydrogen-bonded Turntrans-67.6-27.7174.4-173.5-92000112.7L45 H46 L54 L57 E161 R186 R187F43-L45 PolarHBondContact O-N 3.28Å; F43-H46 AromaticContact CD2-CD2 3.89Å; F43-H46 AromaticContact CE2-CD2 3.92Å; F43-H46 WeakPolarHBondContact O-CB 3.22Å; F43-H46 PolarHBondContact O-CD2 3.33Å; F43-H46 VanDerWaalsContact O-CD2 3.27Å; F43-H46 PolarHBondContact O-N 2.92Å; F43-L54 HydrophobicContact CE1-CD1 4.37Å; F43-L54 HydrophobicContact CZ-CD1 4.28Å; F43-L57 HydrophobicContact CZ-CD1 4.32Å; F43-E161 HydrophobicContact CE2-CG 4.23Å; F43-R186 HydrophobicContact CD2-CG 3.7Å; F43-R186 HydrophobicContact CE2-CG 3.84Å; F43-R187 HydrophobicContact CD1-CB 4.2Å; F43-R187 HydrophobicContact CD1-CG 4.06Å; F43-R187 HydrophobicContact CE1-CB 4.45Å
44D83.2Confident85.3Confident93 Ų9346.6 Ų46.650%0.49726%0.258SS..THydrogen-bonded Turntrans-72.2-14.1-177-71.3-38.3000112.1D42 H46 G47 A48 R187D42-D44 VanDerWaalsContact C-N 3.28Å; D42-D44 PolarHBondContact O-N 3.46Å; D42-D44 WeakPolarHBondContact OD1-CA 3.25Å; D42-D44 WeakPolarHBondContact OD1-CB 3.29Å; D42-D44 PolarHBondContact OD1-N 2.93Å; D44-H46 PolarHBondContact O-N 3.46Å; D44-H46 VanDerWaalsContact O-N 3.15Å; D44-G47 PolarHBondContact O-N 2.94Å; D44-A48 PolarHBondContact O-N 3.01Å; D44-R187 IonicContact OD1-CZ 2.83Å; D44-R187 IonicContact OD1-NE 3.56Å; D44-R187 IonicContact OD1-NH2 3.82Å; D44-R187 PolarHBondContact OD1-NH2 3.19Å
45L83.1Confident85.6Confident15 Ų1545.2 Ų45.28%0.07926%0.255CS..Hα-helixtrans-52.5-33.9169.2179.561.8000112L6 L35 I38 L39 D42 F43 G47 A48 L49L6-L45 HydrophobicContact CD1-CD2 4.41Å; L35-L45 HydrophobicContact CD1-CD2 4Å; I38-L45 HydrophobicContact CB-CD2 4.38Å; I38-L45 HydrophobicContact CG2-CD2 3.55Å; L39-L45 HydrophobicContact CD2-CB 4.33Å; L39-L45 HydrophobicContact CD2-CD2 3.95Å; L39-L45 HydrophobicContact CD2-CG 4.36Å; D42-L45 WeakPolarHBondContact O-CB 3.46Å; D42-L45 PolarHBondContact O-N 3.14Å; D42-L45 PolarHBondContact OD1-N 3.45Å; F43-L45 PolarHBondContact O-N 3.28Å; L45-G47 VanDerWaalsContact C-N 3.31Å; L45-G47 PolarHBondContact O-N 2.96Å; L45-A48 HydrophobicContact CD1-CB 4.5Å; L45-A48 WeakPolarHBondContact O-CB 2.68Å; L45-A48 PolarHBondContact O-N 3.35Å; L45-A48 VanDerWaalsContact O-N 3.11Å; L45-L49 HydrophobicContact CD1-CD1 4.28Å; L45-L49 HydrophobicContact CD1-CG 4.09Å; L45-L49 HydrophobicContact CD2-CD1 4.28Å; L45-L49 HydrophobicContact CG-CD1 3.92Å; L45-L49 HydrophobicContact CG-CG 4.19Å; L45-L49 WeakPolarHBondContact O-CG 3.5Å; L45-L49 PolarHBondContact O-N 3.27Å
46H83.1Confident86Confident6 Ų645.2 Ų45.23%0.02826%0.255CS..Hα-helixtrans-56.4-45176-75.1-55.9000112.1L39 F43 D44 A48 L49 Q50 A53 E161L39-H46 VanDerWaalsContact CD2-CE1 3.42Å; L39-H46 WeakPolarHBondContact CD2-CE1 3.38Å; F43-H46 AromaticContact CD2-CD2 3.89Å; F43-H46 AromaticContact CE2-CD2 3.92Å; F43-H46 WeakPolarHBondContact O-CB 3.22Å; F43-H46 PolarHBondContact O-CD2 3.33Å; F43-H46 VanDerWaalsContact O-CD2 3.27Å; F43-H46 PolarHBondContact O-N 2.92Å; D44-H46 PolarHBondContact O-N 3.46Å; D44-H46 VanDerWaalsContact O-N 3.15Å; H46-A48 VanDerWaalsContact C-N 3.29Å; H46-A48 PolarHBondContact O-N 3.07Å; H46-L49 PolarHBondContact O-N 3.42Å; H46-Q50 CarbonylContact O-C 3.58Å; H46-Q50 WeakPolarHBondContact O-CA 3.22Å; H46-Q50 PolarHBondContact O-N 3.43Å; H46-A53 HydrophobicContact CB-CB 3.72Å; H46-E161 IonicContact CD2-OE2 3.7Å; H46-E161 IonicContact CE1-OE2 2.8Å; H46-E161 VanDerWaalsContact NE2-CD 3.3Å; H46-E161 WeakPolarHBondContact NE2-CG 3.28Å; H46-E161 IonicContact NE2-OE2 2.72Å; H46-E161 PolarHBondContact NE2-OE2 3.14Å
47G78.1Confident86.2Confident49 Ų4942.3 Ų42.351%0.50524%0.244SC..Hα-helixtrans-67.2-29.1178.100000113.4D44 L45D44-G47 PolarHBondContact O-N 2.94Å; L45-G47 VanDerWaalsContact C-N 3.31Å; L45-G47 PolarHBondContact O-N 2.96Å
48A79Confident86.5Confident60 Ų6039.5 Ų39.550%0.49623%0.234SC..Hα-helixtrans-75.2-32.2175.600000112.8D44 L45 H46D44-A48 PolarHBondContact O-N 3.01Å; L45-A48 HydrophobicContact CD1-CB 4.5Å; L45-A48 WeakPolarHBondContact O-CB 2.68Å; L45-A48 PolarHBondContact O-N 3.35Å; L45-A48 VanDerWaalsContact O-N 3.11Å; H46-A48 VanDerWaalsContact C-N 3.29Å; H46-A48 PolarHBondContact O-N 3.07Å
49L80Confident86.9Confident7 Ų739.4 Ų39.44%0.03723%0.234CC..Hα-helixtrans-83.2-43.2176.8-66.5176000111.7L45 H46 Q150 L153 A157L45-L49 HydrophobicContact CD1-CD1 4.28Å; L45-L49 HydrophobicContact CD1-CG 4.09Å; L45-L49 HydrophobicContact CD2-CD1 4.28Å; L45-L49 HydrophobicContact CG-CD1 3.92Å; L45-L49 HydrophobicContact CG-CG 4.19Å; L45-L49 WeakPolarHBondContact O-CG 3.5Å; L45-L49 PolarHBondContact O-N 3.27Å; H46-L49 PolarHBondContact O-N 3.42Å; L49-Q150 PolarHBondContact O-NE2 2.9Å; L49-L153 HydrophobicContact CD1-CG 4.34Å; L49-L153 HydrophobicContact CD2-CD2 3.74Å; L49-L153 HydrophobicContact CD2-CG 4.02Å; L49-A157 HydrophobicContact CD1-CB 3.65Å
50Q81.5Confident87.2Confident8 Ų839.4 Ų39.44%0.03723%0.234CC..  trans-148.3111.4-174.2-145.9-172.7-26.500111.2H46 D52 A53H46-Q50 CarbonylContact O-C 3.58Å; H46-Q50 WeakPolarHBondContact O-CA 3.22Å; H46-Q50 PolarHBondContact O-N 3.43Å; Q50-D52 VanDerWaalsContact CD-OD1 3.29Å; Q50-D52 WeakPolarHBondContact CG-OD1 3.46Å; Q50-D52 PolarHBondContact NE2-OD1 2.95Å; Q50-D52 PolarHBondContact O-N 3.41Å; Q50-D52 VanDerWaalsContact O-N 3.14Å; Q50-A53 HydrophobicContact CB-CB 4.39Å; Q50-A53 VanDerWaalsContact O-CB 3.28Å; Q50-A53 WeakPolarHBondContact O-CB 3.28Å; Q50-A53 PolarHBondContact O-N 3.46Å; Q50-A53 VanDerWaalsContact O-N 3.12Å
51D84.4Confident87.6Confident135 Ų13538.7 Ų38.772%0.72223%0.23SC*.THydrogen-bonded Turntrans-62.3-22.5-175.462-43.6000114.9K126D51-K126 WeakPolarHBondContact OD1-CE 3.36Å; D51-K126 IonicContact OD1-NZ 2.83Å; D51-K126 PolarHBondContact OD1-NZ 3.4Å
52D90.7Very high88.1Confident16 Ų1641.2 Ų41.29%0.08623%0.234CC..THydrogen-bonded Turntrans-100.48.8178.860.2-4.2000114Q50 L54 A55 L56 K126Q50-D52 VanDerWaalsContact CD-OD1 3.29Å; Q50-D52 WeakPolarHBondContact CG-OD1 3.46Å; Q50-D52 PolarHBondContact NE2-OD1 2.95Å; Q50-D52 PolarHBondContact O-N 3.41Å; Q50-D52 VanDerWaalsContact O-N 3.14Å; D52-L54 PolarHBondContact O-N 3.15Å; D52-A55 WeakPolarHBondContact O-CB 3.39Å; D52-A55 PolarHBondContact O-N 3.21Å; D52-L56 WeakPolarHBondContact O-CG 3.44Å; D52-L56 PolarHBondContact O-N 3.47Å; D52-K126 IonicContact OD1-NZ 2.63Å; D52-K126 PolarHBondContact OD1-NZ 3.44Å; D52-K126 WeakPolarHBondContact OD2-CE 3.25Å; D52-K126 IonicContact OD2-NZ 2.79Å; D52-K126 PolarHBondContact OD2-NZ 2.92Å
53A90.9Very high88.5Confident2 Ų241.3 Ų41.32%0.01725%0.252CS..Hα-helixtrans-53-50.4-175.900000113.6H46 Q50 A55 L56 L57 L158H46-A53 HydrophobicContact CB-CB 3.72Å; Q50-A53 HydrophobicContact CB-CB 4.39Å; Q50-A53 VanDerWaalsContact O-CB 3.28Å; Q50-A53 WeakPolarHBondContact O-CB 3.28Å; Q50-A53 PolarHBondContact O-N 3.46Å; Q50-A53 VanDerWaalsContact O-N 3.12Å; A53-A55 VanDerWaalsContact C-N 3.31Å; A53-A55 PolarHBondContact O-N 3.25Å; A53-L56 PolarHBondContact O-N 3.06Å; A53-L57 WeakPolarHBondContact O-CG 3.33Å; A53-L57 PolarHBondContact O-N 3.08Å; A53-L158 HydrophobicContact CB-CD1 4.42Å; A53-L158 HydrophobicContact CB-CD2 3.81Å; A53-L158 HydrophobicContact CB-CG 4.38Å
54L91.6Very high89Confident69 Ų6945.9 Ų45.936%0.36127%0.269SS..Hα-helixtrans-64.8-36.9179.2-176.663.9000111.9F43 D52 L57 T58 L183F43-L54 HydrophobicContact CE1-CD1 4.37Å; F43-L54 HydrophobicContact CZ-CD1 4.28Å; D52-L54 PolarHBondContact O-N 3.15Å; L54-L57 PolarHBondContact O-N 3.47Å; L54-T58 WeakPolarHBondContact O-CB 3.36Å; L54-T58 PolarHBondContact O-N 2.93Å; L54-T58 PolarHBondContact O-OG1 3.25Å; L54-L183 HydrophobicContact CD1-CD1 4.42Å
55A94.1Very high89.3Confident45 Ų4545.4 Ų45.437%0.37228%0.278SS..Hα-helixtrans-66-41.2177.400000111.2D52 A53 T58 D59 L119D52-A55 WeakPolarHBondContact O-CB 3.39Å; D52-A55 PolarHBondContact O-N 3.21Å; A53-A55 VanDerWaalsContact C-N 3.31Å; A53-A55 PolarHBondContact O-N 3.25Å; A55-T58 PolarHBondContact O-N 2.57Å; A55-D59 WeakPolarHBondContact O-CB 3.38Å; A55-D59 PolarHBondContact O-N 2.79Å; A55-L119 HydrophobicContact CB-CD2 4.42Å
56L96.3Very high89.9Confident0 Ų047.8 Ų47.80%029%0.291CS..Hα-helixtrans-64-43.1175.9-69.3165.6000112.1D52 A53 G60 F78 L115 L119 L158D52-L56 WeakPolarHBondContact O-CG 3.44Å; D52-L56 PolarHBondContact O-N 3.47Å; A53-L56 PolarHBondContact O-N 3.06Å; L56-G60 PolarHBondContact O-N 2.86Å; L56-F78 HydrophobicContact CB-CE1 4Å; L56-F78 HydrophobicContact CB-CZ 3.91Å; L56-F78 HydrophobicContact CD1-CE1 4.13Å; L56-F78 HydrophobicContact CG-CE1 4.49Å; L56-L115 HydrophobicContact CB-CD2 4.41Å; L56-L115 HydrophobicContact CD2-CD1 4.05Å; L56-L115 HydrophobicContact CD2-CD2 3.9Å; L56-L115 WeakPolarHBondContact O-CD2 3.46Å; L56-L119 HydrophobicContact CD2-CB 3.88Å; L56-L119 HydrophobicContact CD2-CD1 4.16Å; L56-L158 HydrophobicContact CD1-CD1 3.88Å
57L95.5Very high90.5Very high0 Ų047.5 Ų47.50%029%0.289CS..Hα-helixtrans-64.5-45.7176.1-70.7171000111.7F43 A53 L54 G60 L61 L74 F78 L158 E161 L183F43-L57 HydrophobicContact CZ-CD1 4.32Å; A53-L57 WeakPolarHBondContact O-CG 3.33Å; A53-L57 PolarHBondContact O-N 3.08Å; L54-L57 PolarHBondContact O-N 3.47Å; L57-G60 PolarHBondContact O-N 3.32Å; L57-L61 WeakPolarHBondContact O-CB 3.16Å; L57-L61 VanDerWaalsContact O-CG 3.27Å; L57-L61 WeakPolarHBondContact O-CG 3.45Å; L57-L61 PolarHBondContact O-N 3.01Å; L57-L74 HydrophobicContact CD2-CD2 3.88Å; L57-F78 HydrophobicContact CD2-CE2 4.13Å; L57-L158 HydrophobicContact CD1-CD2 3.99Å; L57-L158 HydrophobicContact CD2-CD2 4.18Å; L57-L158 HydrophobicContact CG-CD2 3.9Å; L57-E161 HydrophobicContact CD1-CG 4.19Å; L57-L183 HydrophobicContact CB-CD1 4.23Å; L57-L183 HydrophobicContact CB-CD2 4.14Å; L57-L183 HydrophobicContact CD1-CD2 4.28Å
58T95.4Very high91.3Very high45 Ų4546.3 Ų46.328%0.27627%0.274SS..Hα-helixtrans-64.2-47.3-179.8-530000111L54 A55 G60 L61 W62L54-T58 WeakPolarHBondContact O-CB 3.36Å; L54-T58 PolarHBondContact O-N 2.93Å; L54-T58 PolarHBondContact O-OG1 3.25Å; A55-T58 PolarHBondContact O-N 2.57Å; T58-G60 PolarHBondContact O-N 3.48Å; T58-L61 PolarHBondContact O-N 3.46Å; T58-W62 WeakPolarHBondContact O-CB 3.06Å; T58-W62 PolarHBondContact O-N 3.44Å
59D95.7Very high92.1Very high50 Ų5046 Ų4627%0.26727%0.268SS..Hα-helixtrans-61.7-43.3178.2-177.287.8000112.1A55 L61 W62 L115 S116 L119A55-D59 WeakPolarHBondContact O-CB 3.38Å; A55-D59 PolarHBondContact O-N 2.79Å; D59-L61 VanDerWaalsContact C-N 3.29Å; D59-L61 PolarHBondContact O-N 3.44Å; D59-W62 PolarHBondContact O-N 3.06Å; D59-L115 WeakPolarHBondContact OD2-CA 3.43Å; D59-S116 WeakPolarHBondContact OD1-CB 3.33Å; D59-S116 PolarHBondContact OD1-OG 3.37Å; D59-S116 PolarHBondContact OD2-N 2.95Å; D59-S116 PolarHBondContact OD2-OG 3.4Å; D59-L119 HydrophobicContact CB-CD1 3.4Å; D59-L119 VanDerWaalsContact CB-CD1 3.4Å
60G94.6Very high92.9Very high0 Ų046.2 Ų46.20%027%0.27CS..Hα-helixtrans-62.5-33.317900000114.6L56 L57 T58 V114L56-G60 PolarHBondContact O-N 2.86Å; L57-G60 PolarHBondContact O-N 3.32Å; T58-G60 PolarHBondContact O-N 3.48Å; G60-V114 WeakPolarHBondContact CA-O 3.44Å
61L95.8Very high93.7Very high0 Ų046.1 Ų46.10%027%0.27CS..Hα-helixtrans-98-10.8-177.5-60.1176.9000113.1L57 T58 D59 G63 R64 L67 A70 L71 A179 L183L57-L61 WeakPolarHBondContact O-CB 3.16Å; L57-L61 VanDerWaalsContact O-CG 3.27Å; L57-L61 WeakPolarHBondContact O-CG 3.45Å; L57-L61 PolarHBondContact O-N 3.01Å; T58-L61 PolarHBondContact O-N 3.46Å; D59-L61 VanDerWaalsContact C-N 3.29Å; D59-L61 PolarHBondContact O-N 3.44Å; L61-G63 PolarHBondContact O-N 2.98Å; L61-R64 WeakPolarHBondContact O-CB 3.1Å; L61-R64 WeakPolarHBondContact O-CG 3.47Å; L61-R64 PolarHBondContact O-N 3.36Å; L61-L67 HydrophobicContact CB-CD2 4.37Å; L61-L67 HydrophobicContact CD2-CD2 4.39Å; L61-A70 HydrophobicContact CD2-CB 3.86Å; L61-L71 HydrophobicContact CD1-CD2 4.07Å; L61-L71 HydrophobicContact CD2-CD2 3.82Å; L61-L71 HydrophobicContact CD2-CG 3.92Å; L61-L71 HydrophobicContact CG-CD2 4.48Å; L61-A179 HydrophobicContact CB-CB 3.53Å; L61-A179 HydrophobicContact CD1-CB 4.42Å; L61-L183 HydrophobicContact CD1-CD1 4.47Å; L61-L183 HydrophobicContact CD1-CD2 4.42Å; L61-L183 HydrophobicContact CD1-CG 4.48Å
62W93.5Very high94.2Very high177 Ų17746.7 Ų46.767%0.6726%0.262SS*.THydrogen-bonded Turntrans-57.1128.8-177-178-96.7000112.1T58 D59 R64 E180T58-W62 WeakPolarHBondContact O-CB 3.06Å; T58-W62 PolarHBondContact O-N 3.44Å; D59-W62 PolarHBondContact O-N 3.06Å; W62-R64 PolarHBondContact O-N 2.91Å; W62-R64 VanDerWaalsContact O-N 3.17Å; W62-E180 VanDerWaalsContact CE3-OE1 3.28Å; W62-E180 VanDerWaalsContact CZ3-OE1 3.28Å; W62-E180 WeakPolarHBondContact CZ3-OE1 3.45Å
63G90.1Very high94.5Very high75 Ų7546.9 Ų46.977%0.77327%0.268SS*.THydrogen-bonded Turntrans65.614176.500000115L61L61-G63 PolarHBondContact O-N 2.98Å
64R92.7Very high94.8Very high111 Ų11146.8 Ų46.842%0.41927%0.267SS..  trans-85.9125.2177.2-57.2-59.7-176.2175.91.7110L61 W62 L67 A70 G113L61-R64 WeakPolarHBondContact O-CB 3.1Å; L61-R64 WeakPolarHBondContact O-CG 3.47Å; L61-R64 PolarHBondContact O-N 3.36Å; W62-R64 PolarHBondContact O-N 2.91Å; W62-R64 VanDerWaalsContact O-N 3.17Å; R64-L67 HydrophobicContact CB-CD2 4.16Å; R64-A70 HydrophobicContact CB-CB 4.04Å; R64-A70 HydrophobicContact CG-CB 3.81Å; R64-G113 PolarHBondContact NH2-O 3.25Å
65A90.1Very high95.1Very high83 Ų8344.1 Ų44.169%0.68626%0.255SS*.SBendtrans-73.5-35.7177.800000112.8
66D94.4Very high95.2Very high66 Ų6648.8 Ų48.835%0.35326%0.263SS..  trans-118.4113175.9-1791.1000108.9A68 P69 S175D66-A68 PolarHBondContact OD1-N 2.84Å; D66-A68 VanDerWaalsContact OD1-N 3.11Å; D66-P69 HydrophobicContact CB-CG 3.99Å; D66-P69 WeakPolarHBondContact O-CD 3.43Å; D66-P69 WeakPolarHBondContact OD1-CD 3.43Å; D66-P69 WeakPolarHBondContact OD2-CD 3.37Å; D66-P69 WeakPolarHBondContact OD2-CG 3.26Å; D66-S175 WeakPolarHBondContact OD1-CB 3.37Å; D66-S175 PolarHBondContact OD1-OG 3.22Å
67L95.9Very high95.2Very high0 Ų048.8 Ų48.80%026%0.263CS..Hα-helixtrans-76.3-25.4-175.6-60.5-173.9000112.6L61 R64 A70 L71 L169 S175 L177 A179 L182L61-L67 HydrophobicContact CB-CD2 4.37Å; L61-L67 HydrophobicContact CD2-CD2 4.39Å; R64-L67 HydrophobicContact CB-CD2 4.16Å; L67-A70 PolarHBondContact O-N 3.29Å; L67-L71 WeakPolarHBondContact O-CB 3.37Å; L67-L71 VanDerWaalsContact O-CG 3.26Å; L67-L71 WeakPolarHBondContact O-CG 3.28Å; L67-L71 PolarHBondContact O-N 3.48Å; L67-L169 HydrophobicContact CB-CD1 3.69Å; L67-S175 PolarHBondContact N-O 3.1Å; L67-L177 HydrophobicContact CD1-CD2 3.94Å; L67-L177 HydrophobicContact CD1-CG 3.94Å; L67-L177 WeakPolarHBondContact CD1-O 3.4Å; L67-A179 HydrophobicContact CD2-CB 4.09Å; L67-L182 HydrophobicContact CD1-CB 4.3Å; L67-L182 HydrophobicContact CD1-CD2 3.77Å
68A95.6Very high95.3Very high23 Ų2348.8 Ų48.819%0.1926%0.263CS..Hα-helixtrans-63.8-50.7-177.100000114D66 A70 R72 L169D66-A68 PolarHBondContact OD1-N 2.84Å; D66-A68 VanDerWaalsContact OD1-N 3.11Å; A68-A70 VanDerWaalsContact C-N 3.31Å; A68-R72 WeakPolarHBondContact O-CG 3.48Å; A68-R72 PolarHBondContact O-N 3.22Å; A68-R72 PolarHBondContact O-NH1 3.15Å; A68-L169 HydrophobicContact CB-CD1 4.38Å
69P95.6Very high95.3Very high55 Ų5549.1 Ų49.136%0.35726%0.262SS..Hα-helixtrans-67.5-31.6173.227-32.3000112.4D66 R72 G73D66-P69 HydrophobicContact CB-CG 3.99Å; D66-P69 WeakPolarHBondContact O-CD 3.43Å; D66-P69 WeakPolarHBondContact OD1-CD 3.43Å; D66-P69 WeakPolarHBondContact OD2-CD 3.37Å; D66-P69 WeakPolarHBondContact OD2-CG 3.26Å; P69-R72 PolarHBondContact O-N 3.38Å; P69-G73 PolarHBondContact O-N 2.85Å
70A96.3Very high95.3Very high11 Ų1148.3 Ų48.39%0.09126%0.257CS..Hα-helixtrans-63.1-48.3176.400000111.3L61 R64 L67 A68 R72 G73 L74L61-A70 HydrophobicContact CD2-CB 3.86Å; R64-A70 HydrophobicContact CB-CB 4.04Å; R64-A70 HydrophobicContact CG-CB 3.81Å; L67-A70 PolarHBondContact O-N 3.29Å; A68-A70 VanDerWaalsContact C-N 3.31Å; A70-R72 VanDerWaalsContact C-N 3.32Å; A70-R72 PolarHBondContact O-N 2.57Å; A70-G73 PolarHBondContact O-N 3.11Å; A70-G73 VanDerWaalsContact O-N 3.1Å; A70-L74 WeakPolarHBondContact O-CB 3.48Å; A70-L74 PolarHBondContact O-N 2.91Å
71L97.6Very high95.4Very high5 Ų548.3 Ų48.33%0.02626%0.257CS..Hα-helixtrans-59.1-40.6174.8-72.8168.3000112.1L61 L67 L74 A75 C162 L165 L169L61-L71 HydrophobicContact CD1-CD2 4.07Å; L61-L71 HydrophobicContact CD2-CD2 3.82Å; L61-L71 HydrophobicContact CD2-CG 3.92Å; L61-L71 HydrophobicContact CG-CD2 4.48Å; L67-L71 WeakPolarHBondContact O-CB 3.37Å; L67-L71 VanDerWaalsContact O-CG 3.26Å; L67-L71 WeakPolarHBondContact O-CG 3.28Å; L67-L71 PolarHBondContact O-N 3.48Å; L71-L74 PolarHBondContact O-N 2.63Å; L71-A75 WeakPolarHBondContact O-CB 3.42Å; L71-A75 PolarHBondContact O-N 3.12Å; L71-C162 HydrophobicContact CD2-CB 4.32Å; L71-L165 HydrophobicContact CD1-CB 3.8Å; L71-L165 HydrophobicContact CD2-CB 3.91Å; L71-L165 HydrophobicContact CD2-CD1 3.83Å; L71-L169 HydrophobicContact CD1-CD1 3.58Å; L71-L169 HydrophobicContact CD1-CG 4.38Å
72R96.9Very high95.5Very high147 Ų14748.3 Ų48.356%0.55526%0.257SS*.Hα-helixtrans-64.1-39.5174.3-71.8-171.3-63.6-89.84.8112.6A68 P69 A70 R76A68-R72 WeakPolarHBondContact O-CG 3.48Å; A68-R72 PolarHBondContact O-N 3.22Å; A68-R72 PolarHBondContact O-NH1 3.15Å; P69-R72 PolarHBondContact O-N 3.38Å; A70-R72 VanDerWaalsContact C-N 3.32Å; A70-R72 PolarHBondContact O-N 2.57Å; R72-R76 WeakPolarHBondContact O-CG 3.2Å; R72-R76 PolarHBondContact O-N 3.25Å
73G96.4Very high95.6Very high20 Ų2041 Ų4121%0.20623%0.231CC..Hα-helixtrans-64.6-44174.700000111.6P69 A70 R76 A77P69-G73 PolarHBondContact O-N 2.85Å; A70-G73 PolarHBondContact O-N 3.11Å; A70-G73 VanDerWaalsContact O-N 3.1Å; G73-R76 WeakPolarHBondContact O-CB 3.29Å; G73-R76 PolarHBondContact O-N 2.83Å; G73-A77 PolarHBondContact O-N 2.99Å
74L97.1Very high95.8Very high0 Ų038.2 Ų38.20%020%0.201CC..Hα-helixtrans-67-42.4-179.5-165.463.2000112.1L57 A70 L71 R76 A77 F78 V114 L115L57-L74 HydrophobicContact CD2-CD2 3.88Å; A70-L74 WeakPolarHBondContact O-CB 3.48Å; A70-L74 PolarHBondContact O-N 2.91Å; L71-L74 PolarHBondContact O-N 2.63Å; L74-R76 VanDerWaalsContact C-N 3.26Å; L74-R76 PolarHBondContact O-N 2.72Å; L74-A77 WeakPolarHBondContact O-CB 3.42Å; L74-A77 PolarHBondContact O-N 3.42Å; L74-F78 HydrophobicContact CD1-CE1 4.48Å; L74-F78 HydrophobicContact CD1-CE2 4Å; L74-F78 HydrophobicContact CD1-CZ 3.84Å; L74-F78 HydrophobicContact CD2-CE2 3.79Å; L74-F78 HydrophobicContact CD2-CZ 4.11Å; L74-F78 HydrophobicContact CG-CD2 4.07Å; L74-F78 HydrophobicContact CG-CE2 3.41Å; L74-F78 VanDerWaalsContact CG-CE2 3.41Å; L74-F78 HydrophobicContact CG-CZ 3.78Å; L74-F78 VanDerWaalsContact O-CD2 3.31Å; L74-F78 WeakPolarHBondContact O-CD2 3.43Å; L74-F78 PolarHBondContact O-N 2.84Å; L74-V114 HydrophobicContact CD1-CB 4.37Å; L74-V114 HydrophobicContact CD1-CG2 4.24Å; L74-L115 HydrophobicContact CD1-CD1 4.44Å; L74-L115 HydrophobicContact CD1-CD2 3.88Å; L74-L115 HydrophobicContact CD1-CG 4.03Å
75A97.1Very high95.9Very high14 Ų1433 Ų3312%0.11618%0.181CC..Hα-helixtrans-55.9-40.6172.500000112.2L71 F78 E79 R159 C162L71-A75 WeakPolarHBondContact O-CB 3.42Å; L71-A75 PolarHBondContact O-N 3.12Å; A75-F78 PolarHBondContact O-N 3.28Å; A75-E79 WeakPolarHBondContact O-CB 3.49Å; A75-E79 PolarHBondContact O-N 3.21Å; A75-R159 HydrophobicContact CB-CG 4.33Å; A75-C162 HydrophobicContact CB-CB 3.81Å
76R96Very high96.2Very high143 Ų14329 Ų2954%0.5415%0.148SC..Hα-helixtrans-68.5-35.8175.5-71172.6177.2-174.11.7112.7R72 G73 L74 E79 L80 V110R72-R76 WeakPolarHBondContact O-CG 3.2Å; R72-R76 PolarHBondContact O-N 3.25Å; G73-R76 WeakPolarHBondContact O-CB 3.29Å; G73-R76 PolarHBondContact O-N 2.83Å; L74-R76 VanDerWaalsContact C-N 3.26Å; L74-R76 PolarHBondContact O-N 2.72Å; R76-E79 PolarHBondContact O-N 2.9Å; R76-L80 PolarHBondContact O-N 3.2Å; R76-V110 HydrophobicContact CB-CG1 4Å
77A96.9Very high96.1Very high0 Ų026.9 Ų26.90%014%0.136CC..Hα-helixtrans-65.3-44.7174.600000111.4G73 L74 L80 L81 L111 V114 L115G73-A77 PolarHBondContact O-N 2.99Å; L74-A77 WeakPolarHBondContact O-CB 3.42Å; L74-A77 PolarHBondContact O-N 3.42Å; A77-L80 PolarHBondContact O-N 3.38Å; A77-L81 WeakPolarHBondContact O-CG 3.35Å; A77-L81 PolarHBondContact O-N 3.45Å; A77-L111 HydrophobicContact CB-CD2 3.82Å; A77-V114 HydrophobicContact CB-CG2 3.5Å; A77-L115 HydrophobicContact CB-CD1 4.49Å
78F97.4Very high96Very high0 Ų027 Ų270%014%0.136CC..Hα-helixtrans-65.3-37174.9-63.3-44000112.7L56 L57 L74 A75 L80 L81 E82 L115 L158 R159L56-F78 HydrophobicContact CB-CE1 4Å; L56-F78 HydrophobicContact CB-CZ 3.91Å; L56-F78 HydrophobicContact CD1-CE1 4.13Å; L56-F78 HydrophobicContact CG-CE1 4.49Å; L57-F78 HydrophobicContact CD2-CE2 4.13Å; L74-F78 HydrophobicContact CD1-CE1 4.48Å; L74-F78 HydrophobicContact CD1-CE2 4Å; L74-F78 HydrophobicContact CD1-CZ 3.84Å; L74-F78 HydrophobicContact CD2-CE2 3.79Å; L74-F78 HydrophobicContact CD2-CZ 4.11Å; L74-F78 HydrophobicContact CG-CD2 4.07Å; L74-F78 HydrophobicContact CG-CE2 3.41Å; L74-F78 VanDerWaalsContact CG-CE2 3.41Å; L74-F78 HydrophobicContact CG-CZ 3.78Å; L74-F78 VanDerWaalsContact O-CD2 3.31Å; L74-F78 WeakPolarHBondContact O-CD2 3.43Å; L74-F78 PolarHBondContact O-N 2.84Å; A75-F78 PolarHBondContact O-N 3.28Å; F78-L80 VanDerWaalsContact C-N 3.29Å; F78-L80 PolarHBondContact O-N 3Å; F78-L81 HydrophobicContact CD1-CD1 4.24Å; F78-L81 PolarHBondContact O-N 3.24Å; F78-E82 VanDerWaalsContact O-CB 3.3Å; F78-E82 WeakPolarHBondContact O-CB 3.44Å; F78-E82 PolarHBondContact O-N 3.23Å; F78-L115 HydrophobicContact CE1-CD1 4.39Å; F78-L158 HydrophobicContact CB-CB 4.4Å; F78-L158 HydrophobicContact CD1-CB 4.09Å; F78-L158 HydrophobicContact CD1-CD1 3.92Å; F78-L158 HydrophobicContact CD2-CB 3.54Å; F78-L158 HydrophobicContact CE1-CB 4.26Å; F78-L158 HydrophobicContact CE1-CD1 3.59Å; F78-L158 HydrophobicContact CE1-CG 4.48Å; F78-L158 HydrophobicContact CE2-CB 3.65Å; F78-L158 HydrophobicContact CE2-CD1 4.26Å; F78-L158 HydrophobicContact CE2-CD2 4.32Å; F78-L158 HydrophobicContact CE2-CG 4.32Å; F78-L158 HydrophobicContact CG-CB 3.77Å; F78-L158 HydrophobicContact CG-CD1 4.45Å; F78-L158 HydrophobicContact CZ-CB 4.05Å; F78-L158 HydrophobicContact CZ-CD1 3.77Å; F78-L158 HydrophobicContact CZ-CD2 4.31Å; F78-L158 HydrophobicContact CZ-CG 4.29Å; F78-R159 HydrophobicContact CB-CB 4.2Å
79E96.4Very high96Very high52 Ų5227.8 Ų27.824%0.24314%0.135CC..Hα-helixtrans-58.6-41.7171.4-166-178.1172.200111.8V25 A75 R76 E82 L83V25-E79 HydrophobicContact CG1-CG 4.05Å; V25-E79 WeakPolarHBondContact CG1-O 3.38Å; V25-E79 HydrophobicContact CG2-CG 4.11Å; A75-E79 WeakPolarHBondContact O-CB 3.49Å; A75-E79 PolarHBondContact O-N 3.21Å; R76-E79 PolarHBondContact O-N 2.9Å; E79-E82 WeakPolarHBondContact O-CB 3.42Å; E79-E82 PolarHBondContact O-N 2.96Å; E79-L83 WeakPolarHBondContact O-CB 3.45Å; E79-L83 PolarHBondContact O-N 3.45Å
80L95.9Very high95.8Very high32 Ų3225.6 Ų25.617%0.16812%0.12CC..Hα-helixtrans-70.8-36.6179.4-174.859.3000112.4R76 A77 F78 L83 A84 V110 L111 W271R76-L80 PolarHBondContact O-N 3.2Å; A77-L80 PolarHBondContact O-N 3.38Å; F78-L80 VanDerWaalsContact C-N 3.29Å; F78-L80 PolarHBondContact O-N 3Å; L80-L83 PolarHBondContact O-N 2.87Å; L80-A84 PolarHBondContact O-N 3.37Å; L80-V110 HydrophobicContact CD2-CB 4.04Å; L80-V110 HydrophobicContact CD2-CG1 4.2Å; L80-L111 HydrophobicContact CB-CD2 4.26Å; L80-L111 HydrophobicContact CD2-CD1 4.18Å; L80-L111 HydrophobicContact CD2-CD2 4.01Å; L80-L111 HydrophobicContact CD2-CG 3.86Å; L80-L111 HydrophobicContact CG-CD2 4.39Å; L80-W271 HydrophobicContact CD1-CZ2 4.13Å
81L96.3Very high95.5Very high1 Ų126.5 Ų26.51%0.00512%0.123CC..Hα-helixtrans-68.7-41.2173.4-68.7171.8000111.7A77 F78 L83 A84 A85 L111 L115 F124 M127A77-L81 WeakPolarHBondContact O-CG 3.35Å; A77-L81 PolarHBondContact O-N 3.45Å; F78-L81 HydrophobicContact CD1-CD1 4.24Å; F78-L81 PolarHBondContact O-N 3.24Å; L81-L83 VanDerWaalsContact C-N 3.31Å; L81-L83 PolarHBondContact O-N 3Å; L81-A84 PolarHBondContact O-N 2.95Å; L81-A85 PolarHBondContact O-N 2.78Å; L81-A85 VanDerWaalsContact O-N 3.1Å; L81-L111 HydrophobicContact CD2-CD1 4.33Å; L81-L111 HydrophobicContact CD2-CD2 4.33Å; L81-L111 HydrophobicContact CG-CD2 4.07Å; L81-L115 HydrophobicContact CD1-CD1 4.39Å; L81-F124 HydrophobicContact CD2-CE1 3.89Å; L81-F124 HydrophobicContact CD2-CE2 4.1Å; L81-F124 HydrophobicContact CD2-CZ 3.65Å; L81-M127 HydrophobicContact CB-CE 4.38Å; L81-M127 HydrophobicContact CD2-CE 4.01Å
82E96.5Very high95.2Very high0 Ų028.3 Ų28.30%014%0.136CC..Hα-helixtrans-54.8-50.8171.2-177.1-173.8168.900109.4Y10 V25 C26 F78 E79 A84 A85 V86 A152 C155 R159Y10-E82 WeakPolarHBondContact OH-CG 3.49Å; Y10-E82 PolarHBondContact OH-OE1 3.44Å; V25-E82 HydrophobicContact CB-CG 4.2Å; V25-E82 WeakPolarHBondContact CB-OE1 3.49Å; V25-E82 HydrophobicContact CG1-CB 3.95Å; V25-E82 HydrophobicContact CG1-CG 3.76Å; C26-E82 PolarHBondContact N-OE1 3.47Å; F78-E82 VanDerWaalsContact O-CB 3.3Å; F78-E82 WeakPolarHBondContact O-CB 3.44Å; F78-E82 PolarHBondContact O-N 3.23Å; E79-E82 WeakPolarHBondContact O-CB 3.42Å; E79-E82 PolarHBondContact O-N 2.96Å; E82-A84 VanDerWaalsContact C-N 3.33Å; E82-A84 PolarHBondContact O-N 3.4Å; E82-A85 PolarHBondContact O-N 3.38Å; E82-V86 HydrophobicContact CG-CG2 4.29Å; E82-V86 WeakPolarHBondContact O-CB 3.38Å; E82-V86 VanDerWaalsContact O-CG2 3.27Å; E82-V86 WeakPolarHBondContact O-CG2 3.15Å; E82-V86 PolarHBondContact O-N 3.28Å; E82-A152 HydrophobicContact CG-CB 4.46Å; E82-C155 HydrophobicContact CB-CB 3.71Å; E82-R159 IonicContact OE1-NH2 3.43Å; E82-R159 IonicContact OE2-CZ 2.7Å; E82-R159 IonicContact OE2-NE 3.82Å; E82-R159 PolarHBondContact OE2-NE 2.81Å; E82-R159 IonicContact OE2-NH2 3.79Å; E82-R159 PolarHBondContact OE2-NH2 3.39Å
83L95.4Very high94.6Very high23 Ų2329.5 Ų29.512%0.1214%0.14CC..Hα-helixtrans-59.5-42.3-179.9-17165.6000112.3V25 E79 L80 L81 A85 V86 H87V25-L83 HydrophobicContact CG1-CB 3.86Å; V25-L83 HydrophobicContact CG1-CD1 4.13Å; E79-L83 WeakPolarHBondContact O-CB 3.45Å; E79-L83 PolarHBondContact O-N 3.45Å; L80-L83 PolarHBondContact O-N 2.87Å; L81-L83 VanDerWaalsContact C-N 3.31Å; L81-L83 PolarHBondContact O-N 3Å; L83-A85 PolarHBondContact O-N 3.01Å; L83-V86 PolarHBondContact O-N 3Å; L83-H87 VanDerWaalsContact CD1-CE1 3.49Å; L83-H87 WeakPolarHBondContact CD1-CE1 3.41Å; L83-H87 VanDerWaalsContact CD1-NE2 3.31Å; L83-H87 WeakPolarHBondContact CD1-NE2 3.32Å; L83-H87 VanDerWaalsContact CG-CE1 3.46Å; L83-H87 WeakPolarHBondContact CG-CE1 3.47Å; L83-H87 WeakPolarHBondContact O-CB 3.41Å; L83-H87 VanDerWaalsContact O-CG 3.29Å; L83-H87 PolarHBondContact O-N 2.8Å
84A94.9Very high94.1Very high17 Ų1733.2 Ų33.214%0.1415%0.148CC..Hα-helixtrans-61.1-43.2177.500000111.9L80 L81 E82 L88 F124 M127L80-A84 PolarHBondContact O-N 3.37Å; L81-A84 PolarHBondContact O-N 2.95Å; E82-A84 VanDerWaalsContact C-N 3.33Å; E82-A84 PolarHBondContact O-N 3.4Å; A84-L88 WeakPolarHBondContact O-CG 3.3Å; A84-L88 PolarHBondContact O-N 2.83Å; A84-F124 HydrophobicContact CB-CE1 4.43Å; A84-M127 HydrophobicContact CB-SD 4.03Å
85A95.7Very high93.5Very high0 Ų041.7 Ų41.70%019%0.185CC..Hα-helixtrans-67.3-42.8176.100000112L81 E82 L83 H87 L88 Y89 M127 V151 A152L81-A85 PolarHBondContact O-N 2.78Å; L81-A85 VanDerWaalsContact O-N 3.1Å; E82-A85 PolarHBondContact O-N 3.38Å; L83-A85 PolarHBondContact O-N 3.01Å; A85-H87 PolarHBondContact O-N 3.27Å; A85-L88 PolarHBondContact O-N 2.99Å; A85-Y89 WeakPolarHBondContact O-CB 3.47Å; A85-Y89 PolarHBondContact O-N 3.11Å; A85-M127 HydrophobicContact CB-CG 4.36Å; A85-M127 HydrophobicContact CB-SD 4.07Å; A85-V151 HydrophobicContact CB-CB 4.46Å; A85-V151 HydrophobicContact CB-CG1 4.15Å; A85-A152 HydrophobicContact CB-CB 3.86Å
86V95.1Very high93Very high0 Ų045.6 Ų45.60%020%0.2CC..Hα-helixtrans-62.3-42.7177.1170.20000111.6L14 E82 L83 Y89 L90 A152L14-V86 HydrophobicContact CD1-CG1 4.36Å; L14-V86 HydrophobicContact CD1-CG2 3.9Å; L14-V86 HydrophobicContact CD2-CG1 4.06Å; L14-V86 HydrophobicContact CD2-CG2 3.99Å; E82-V86 HydrophobicContact CG-CG2 4.29Å; E82-V86 WeakPolarHBondContact O-CB 3.38Å; E82-V86 VanDerWaalsContact O-CG2 3.27Å; E82-V86 WeakPolarHBondContact O-CG2 3.15Å; E82-V86 PolarHBondContact O-N 3.28Å; L83-V86 PolarHBondContact O-N 3Å; V86-Y89 PolarHBondContact O-N 3.34Å; V86-L90 HydrophobicContact CG1-CD1 3.58Å; V86-L90 HydrophobicContact CG1-CG 4.11Å; V86-L90 WeakPolarHBondContact O-CB 3.47Å; V86-L90 WeakPolarHBondContact O-CG 3.29Å; V86-L90 PolarHBondContact O-N 3.39Å; V86-A152 HydrophobicContact CG2-CB 3.94Å
87H93.9Very high92.7Very high22 Ų2240.5 Ų40.510%0.10218%0.182CC..Hα-helixtrans-65.4-40.1178-74.9171.3000112.3A23 L83 A85 Y89 L91 F97A23-H87 PolarHBondContact O-CD2 3.45Å; A23-H87 PolarHBondContact O-NE2 2.8Å; L83-H87 VanDerWaalsContact CD1-CE1 3.49Å; L83-H87 WeakPolarHBondContact CD1-CE1 3.41Å; L83-H87 VanDerWaalsContact CD1-NE2 3.31Å; L83-H87 WeakPolarHBondContact CD1-NE2 3.32Å; L83-H87 VanDerWaalsContact CG-CE1 3.46Å; L83-H87 WeakPolarHBondContact CG-CE1 3.47Å; L83-H87 WeakPolarHBondContact O-CB 3.41Å; L83-H87 VanDerWaalsContact O-CG 3.29Å; L83-H87 PolarHBondContact O-N 2.8Å; A85-H87 PolarHBondContact O-N 3.27Å; H87-Y89 VanDerWaalsContact C-N 3.33Å; H87-L91 CarbonylContact O-C 3.49Å; H87-L91 WeakPolarHBondContact O-CA 3.29Å; H87-L91 WeakPolarHBondContact O-CB 3.44Å; H87-L91 PolarHBondContact O-N 3.43Å; H87-F97 HydrophobicContact CB-CB 4.28Å; H87-F97 HydrophobicContact CB-CD1 3.85Å; H87-F97 HydrophobicContact CB-CD2 3.84Å; H87-F97 HydrophobicContact CB-CE1 4.14Å; H87-F97 HydrophobicContact CB-CE2 4.16Å; H87-F97 HydrophobicContact CB-CG 3.71Å; H87-F97 HydrophobicContact CB-CZ 4.3Å; H87-F97 AromaticContact CG-CE1 3.87Å; H87-F97 AromaticContact CG-CZ 4Å; H87-F97 AromaticContact ND1-CD1 3.71Å; H87-F97 AromaticContact ND1-CE1 3.35Å; H87-F97 WeakPolarHBondContact ND1-CE1 3.41Å; H87-F97 AromaticContact ND1-CZ 3.83Å
88L93.7Very high92.4Very high1 Ų142.4 Ų42.41%0.00519%0.194CC..Hα-helixtrans-65.2-36.9172.5-75.2178000112.7A84 A85 P92 F97 M127 Y129 V139 L142 L148A84-L88 WeakPolarHBondContact O-CG 3.3Å; A84-L88 PolarHBondContact O-N 2.83Å; A85-L88 PolarHBondContact O-N 2.99Å; L88-P92 WeakPolarHBondContact O-CB 3.08Å; L88-P92 WeakPolarHBondContact O-CD 2.97Å; L88-F97 HydrophobicContact CD2-CB 4.24Å; L88-M127 HydrophobicContact CD1-CB 3.88Å; L88-Y129 HydrophobicContact CD1-CD2 4.38Å; L88-Y129 HydrophobicContact CD1-CE2 3.42Å; L88-Y129 VanDerWaalsContact CD1-CE2 3.42Å; L88-Y129 WeakPolarHBondContact CD1-OH 3.37Å; L88-Y129 HydrophobicContact CG-CE2 4.48Å; L88-V139 HydrophobicContact CD1-CG2 4.13Å; L88-V139 HydrophobicContact CD2-CG2 3.9Å; L88-L142 HydrophobicContact CD2-CD1 4.46Å; L88-L148 HydrophobicContact CB-CD1 4.06Å; L88-L148 HydrophobicContact CB-CD2 4.25Å; L88-L148 HydrophobicContact CD1-CD2 4.29Å
89Y94.8Very high92.1Very high40 Ų4044.2 Ų44.216%0.15721%0.205CC..Hα-helixtrans-69.1-51.6177.7171.6-115.9000112.3R11 L14 E15 A85 V86 H87 A145 V149R11-Y89 HydrophobicContact CG-CE1 4.35Å; R11-Y89 VanDerWaalsContact CG-OH 3.25Å; R11-Y89 WeakPolarHBondContact CG-OH 3.42Å; L14-Y89 HydrophobicContact CD1-CD1 4.05Å; L14-Y89 HydrophobicContact CD1-CE1 4.36Å; E15-Y89 PolarHBondContact OE1-OH 3.47Å; A85-Y89 WeakPolarHBondContact O-CB 3.47Å; A85-Y89 PolarHBondContact O-N 3.11Å; V86-Y89 PolarHBondContact O-N 3.34Å; H87-Y89 VanDerWaalsContact C-N 3.33Å; Y89-A145 HydrophobicContact CD2-CB 4.1Å; Y89-A145 HydrophobicContact CE2-CB 3.89Å; Y89-V149 HydrophobicContact CD1-CG2 4.14Å; Y89-V149 HydrophobicContact CD2-CG2 3.88Å; Y89-V149 HydrophobicContact CE1-CG2 4.1Å; Y89-V149 HydrophobicContact CE2-CG2 3.84Å; Y89-V149 HydrophobicContact CG-CG2 4.05Å
90L91.7Very high92Very high10 Ų1042.4 Ų42.45%0.05220%0.197CC..Hα-helixtrans-81.3-31.7-173.1-63.9179.8000113.1L14 L18 A23 V86 P92 W93L14-L90 HydrophobicContact CB-CD1 4.49Å; L14-L90 HydrophobicContact CB-CD2 4.25Å; L18-L90 HydrophobicContact CB-CD1 4.42Å; L18-L90 HydrophobicContact CB-CD2 4.45Å; L18-L90 HydrophobicContact CD2-CB 4.33Å; L18-L90 HydrophobicContact CD2-CD2 4.02Å; A23-L90 HydrophobicContact CB-CD1 4.43Å; V86-L90 HydrophobicContact CG1-CD1 3.58Å; V86-L90 HydrophobicContact CG1-CG 4.11Å; V86-L90 WeakPolarHBondContact O-CB 3.47Å; V86-L90 WeakPolarHBondContact O-CG 3.29Å; V86-L90 PolarHBondContact O-N 3.39Å; L90-P92 VanDerWaalsContact C-CD 3.41Å; L90-W93 WeakPolarHBondContact O-CH2 3.3Å; L90-W93 WeakPolarHBondContact O-CZ3 3.46Å
91L90.8Very high91.8Very high30 Ų3045.8 Ų45.816%0.15721%0.21CC..  trans-131.947.7-170.1-55.5172.1000112.8A23 H87 W93 R94 F97A23-L91 HydrophobicContact CB-CD1 3.97Å; H87-L91 CarbonylContact O-C 3.49Å; H87-L91 WeakPolarHBondContact O-CA 3.29Å; H87-L91 WeakPolarHBondContact O-CB 3.44Å; H87-L91 PolarHBondContact O-N 3.43Å; L91-W93 HydrophobicContact CD2-CH2 3.93Å; L91-W93 HydrophobicContact CD2-CZ2 3.46Å; L91-W93 VanDerWaalsContact CD2-CZ2 3.46Å; L91-W93 PolarHBondContact O-N 3.28Å; L91-R94 HydrophobicContact CB-CB 4.46Å; L91-R94 HydrophobicContact CB-CG 3.97Å; L91-R94 WeakPolarHBondContact O-CB 3.39Å; L91-R94 PolarHBondContact O-N 3.3Å; L91-F97 HydrophobicContact CB-CD2 3.93Å; L91-F97 HydrophobicContact CB-CE2 3.81Å; L91-F97 HydrophobicContact CD1-CE2 3.62Å; L91-F97 HydrophobicContact CD1-CZ 4.28Å; L91-F97 HydrophobicContact CG-CE2 4.37Å
92P89.6Confident91.6Very high43 Ų4346.5 Ų46.528%0.27922%0.215SC..THydrogen-bonded Turntrans-61.9-21.2-173.822.8-33.9000114.6L88 L90 R94 L142L88-P92 WeakPolarHBondContact O-CB 3.08Å; L88-P92 WeakPolarHBondContact O-CD 2.97Å; L90-P92 VanDerWaalsContact C-CD 3.41Å; P92-R94 VanDerWaalsContact C-N 3.29Å; P92-R94 PolarHBondContact O-N 2.64Å; P92-L142 HydrophobicContact CB-CD2 3.6Å; P92-L142 HydrophobicContact CG-CD2 4.44Å
93W85.4Confident91.3Very high171 Ų17152 Ų5265%0.64824%0.239SC*.THydrogen-bonded Turntrans-77.7-11.6178.957.288.6000113.9L90 L91 K95L90-W93 WeakPolarHBondContact O-CH2 3.3Å; L90-W93 WeakPolarHBondContact O-CZ3 3.46Å; L91-W93 HydrophobicContact CD2-CH2 3.93Å; L91-W93 HydrophobicContact CD2-CZ2 3.46Å; L91-W93 VanDerWaalsContact CD2-CZ2 3.46Å; L91-W93 PolarHBondContact O-N 3.28Å; W93-K95 PolarHBondContact O-N 3.25Å
94R85.9Confident91.1Very high99 Ų9952.1 Ų52.137%0.37424%0.241SC..  trans-82.2116.2-179-70.4-69.9-172.1163.3-3.7110.1L91 P92 E96 F97L91-R94 HydrophobicContact CB-CB 4.46Å; L91-R94 HydrophobicContact CB-CG 3.97Å; L91-R94 WeakPolarHBondContact O-CB 3.39Å; L91-R94 PolarHBondContact O-N 3.3Å; P92-R94 VanDerWaalsContact C-N 3.29Å; P92-R94 PolarHBondContact O-N 2.64Å; R94-E96 HydrophobicContact CB-CG 4.2Å; R94-E96 WeakPolarHBondContact CD-OE1 3.46Å; R94-E96 IonicContact NH1-OE1 3.56Å; R94-E96 PolarHBondContact O-N 2.92Å; R94-F97 HydrophobicContact CB-CD2 3.5Å; R94-F97 VanDerWaalsContact CB-CD2 3.5Å; R94-F97 HydrophobicContact CB-CE2 3.71Å; R94-F97 HydrophobicContact CB-CG 4.41Å; R94-F97 HydrophobicContact CG-CD2 4.17Å; R94-F97 HydrophobicContact CG-CE2 3.93Å; R94-F97 PolarHBondContact O-N 3.43Å
95K84.1Confident90.8Very high177 Ų17753.2 Ų53.277%0.7725%0.254SS*.Hα-helixtrans-63.3-27.7-178.4-64.9-175.5-179.5179.80112.2W93 F97 T98W93-K95 PolarHBondContact O-N 3.25Å; K95-F97 PolarHBondContact O-N 3.28Å; K95-T98 PolarHBondContact O-N 2.81Å; K95-T98 VanDerWaalsContact O-N 3.16Å; K95-T98 PolarHBondContact O-OG1 2.83Å
96E86.6Confident90.5Very high96 Ų9653.7 Ų53.745%0.44926%0.259SS..Hα-helixtrans-60.2-31.2177.161.5-102.1-142.200113.8R94R94-E96 HydrophobicContact CB-CG 4.2Å; R94-E96 WeakPolarHBondContact CD-OE1 3.46Å; R94-E96 IonicContact NH1-OE1 3.56Å; R94-E96 PolarHBondContact O-N 2.92Å
97F89.9Confident90.4Very high37 Ų3754.4 Ų54.416%0.16226%0.262CS..Hα-helixtrans-88.9-17.1179.1-51.9-45.9000112.1H87 L88 L91 R94 K95 T99 Y129H87-F97 HydrophobicContact CB-CB 4.28Å; H87-F97 HydrophobicContact CB-CD1 3.85Å; H87-F97 HydrophobicContact CB-CD2 3.84Å; H87-F97 HydrophobicContact CB-CE1 4.14Å; H87-F97 HydrophobicContact CB-CE2 4.16Å; H87-F97 HydrophobicContact CB-CG 3.71Å; H87-F97 HydrophobicContact CB-CZ 4.3Å; H87-F97 AromaticContact CG-CE1 3.87Å; H87-F97 AromaticContact CG-CZ 4Å; H87-F97 AromaticContact ND1-CD1 3.71Å; H87-F97 AromaticContact ND1-CE1 3.35Å; H87-F97 WeakPolarHBondContact ND1-CE1 3.41Å; H87-F97 AromaticContact ND1-CZ 3.83Å; L88-F97 HydrophobicContact CD2-CB 4.24Å; L91-F97 HydrophobicContact CB-CD2 3.93Å; L91-F97 HydrophobicContact CB-CE2 3.81Å; L91-F97 HydrophobicContact CD1-CE2 3.62Å; L91-F97 HydrophobicContact CD1-CZ 4.28Å; L91-F97 HydrophobicContact CG-CE2 4.37Å; R94-F97 HydrophobicContact CB-CD2 3.5Å; R94-F97 VanDerWaalsContact CB-CD2 3.5Å; R94-F97 HydrophobicContact CB-CE2 3.71Å; R94-F97 HydrophobicContact CB-CG 4.41Å; R94-F97 HydrophobicContact CG-CD2 4.17Å; R94-F97 HydrophobicContact CG-CE2 3.93Å; R94-F97 PolarHBondContact O-N 3.43Å; K95-F97 PolarHBondContact O-N 3.28Å; F97-T99 VanDerWaalsContact C-N 3.26Å; F97-T99 PolarHBondContact O-N 2.74Å; F97-Y129 PolarHBondContact O-OH 3.15Å
98T90.8Very high90.3Very high39 Ų3956 Ų5624%0.23927%0.273CS..Hα-helixtrans-76.1-14176.764.80000113.6K95 M138 V139K95-T98 PolarHBondContact O-N 2.81Å; K95-T98 VanDerWaalsContact O-N 3.16Å; K95-T98 PolarHBondContact O-OG1 2.83Å; T98-M138 CarbonylContact O-C 3.12Å; T98-M138 WeakPolarHBondContact O-CA 3.36Å; T98-V139 PolarHBondContact O-N 2.84Å
99T91.8Very high90.2Very high38 Ų3863.1 Ų63.123%0.23331%0.306CS..EExtended strand (participates in β ladder)trans-133.5118.4-175.8-57.70000111.1F97 L137 M138F97-T99 VanDerWaalsContact C-N 3.26Å; F97-T99 PolarHBondContact O-N 2.74Å; T99-L137 CarbonylContact C-O 3.4Å; T99-L137 WeakPolarHBondContact CA-O 3.5Å; T99-M138 HydrophobicContact CG2-CG 3.95Å
100I92.6Very high90.1Very high15 Ų1563.1 Ų63.18%0.07731%0.31CS..EExtended strand (participates in β ladder)trans-103.4126.5175-61.7172.6000109.3Y107 F124 Y129 R136 L137I100-Y107 HydrophobicContact CG2-CD2 4.07Å; I100-F124 HydrophobicContact CD1-CD1 3.64Å; I100-F124 HydrophobicContact CD1-CE1 3.26Å; I100-F124 HydrophobicContact CD1-CZ 3.97Å; I100-Y129 HydrophobicContact CD1-CD1 4.15Å; I100-Y129 HydrophobicContact CD1-CD2 4.32Å; I100-Y129 HydrophobicContact CD1-CE1 3.61Å; I100-Y129 HydrophobicContact CD1-CE2 3.83Å; I100-Y129 HydrophobicContact CD1-CG 4.49Å; I100-Y129 VanDerWaalsContact CD1-CZ 3.44Å; I100-Y129 HydrophobicContact CG1-CD1 4.38Å; I100-Y129 HydrophobicContact CG1-CE1 3.7Å; I100-R136 WeakPolarHBondContact O-CA 3.3Å; I100-L137 HydrophobicContact CB-CB 4.24Å; I100-L137 PolarHBondContact N-O 2.85Å; I100-L137 PolarHBondContact O-N 3.43Å
101K92.9Very high90.3Very high103 Ų10362.9 Ų62.945%0.44831%0.309SS..EExtended strand (participates in β ladder)trans-86.3118.8171.3-68.8170175.1-179.10109.1F103 S104 H135K101-F103 HydrophobicContact CB-CD1 4.11Å; K101-F103 HydrophobicContact CB-CE1 3.76Å; K101-F103 HydrophobicContact CB-CE2 4.3Å; K101-F103 HydrophobicContact CB-CZ 3.89Å; K101-F103 HydrophobicContact CD-CE1 4.18Å; K101-F103 HydrophobicContact CD-CE2 4.04Å; K101-F103 HydrophobicContact CD-CZ 3.55Å; K101-F103 HydrophobicContact CG-CE1 3.9Å; K101-F103 HydrophobicContact CG-CZ 3.81Å; K101-F103 PolarHBondContact O-N 2.72Å; K101-S104 VanDerWaalsContact O-CB 3.25Å; K101-S104 WeakPolarHBondContact O-CB 3.09Å; K101-S104 PolarHBondContact O-N 3.24Å; K101-S104 VanDerWaalsContact O-N 3.09Å; K101-S104 PolarHBondContact O-OG 3.19Å; K101-H135 WeakPolarHBondContact CA-O 3.49Å
102T92.1Very high90.4Very high16 Ų1665.3 Ų65.310%0.09832%0.318CS..THydrogen-bonded Turntrans-76-8.3-177.5650000113.3Y107 V108 S134 H135 L137T102-Y107 HydrophobicContact CG2-CD1 4.43Å; T102-Y107 HydrophobicContact CG2-CD2 4.44Å; T102-Y107 HydrophobicContact CG2-CE1 3.92Å; T102-Y107 HydrophobicContact CG2-CE2 3.98Å; T102-Y107 WeakPolarHBondContact O-CD1 3.24Å; T102-V108 VanDerWaalsContact O-CG2 3.3Å; T102-V108 WeakPolarHBondContact O-CG2 3.42Å; T102-S134 PolarHBondContact OG1-O 3.14Å; T102-H135 PolarHBondContact N-O 2.84Å; T102-H135 VanDerWaalsContact OG1-C 3.25Å; T102-H135 WeakPolarHBondContact OG1-CA 3.38Å; T102-H135 PolarHBondContact OG1-O 3.31Å; T102-L137 HydrophobicContact CG2-CD1 4.32Å; T102-L137 HydrophobicContact CG2-CG 4Å
103F90.4Very high90.5Very high116 Ų11665.1 Ų65.151%0.50932%0.324SS..THydrogen-bonded Turntrans-93.33.7169.661.3-92.1000113.1K101 H135K101-F103 HydrophobicContact CB-CD1 4.11Å; K101-F103 HydrophobicContact CB-CE1 3.76Å; K101-F103 HydrophobicContact CB-CE2 4.3Å; K101-F103 HydrophobicContact CB-CZ 3.89Å; K101-F103 HydrophobicContact CD-CE1 4.18Å; K101-F103 HydrophobicContact CD-CE2 4.04Å; K101-F103 HydrophobicContact CD-CZ 3.55Å; K101-F103 HydrophobicContact CG-CE1 3.9Å; K101-F103 HydrophobicContact CG-CZ 3.81Å; K101-F103 PolarHBondContact O-N 2.72Å; F103-H135 HydrophobicContact CD1-CB 4.01Å; F103-H135 HydrophobicContact CE1-CB 4.25Å
104S89.9Confident90.9Very high24 Ų2458 Ų5817%0.16830%0.3CS..SBendtrans-67147.8175.862.80000110.9K101 G106 Y107 V108K101-S104 VanDerWaalsContact O-CB 3.25Å; K101-S104 WeakPolarHBondContact O-CB 3.09Å; K101-S104 PolarHBondContact O-N 3.24Å; K101-S104 VanDerWaalsContact O-N 3.09Å; K101-S104 PolarHBondContact O-OG 3.19Å; S104-G106 VanDerWaalsContact C-N 3.26Å; S104-G106 PolarHBondContact O-N 3.27Å; S104-Y107 PolarHBondContact O-N 3.08Å; S104-Y107 VanDerWaalsContact OG-CB 3.29Å; S104-Y107 WeakPolarHBondContact OG-CB 3.44Å; S104-Y107 PolarHBondContact OG-N 3.15Å; S104-V108 WeakPolarHBondContact O-CG2 3.46Å; S104-V108 PolarHBondContact O-N 2.88Å
105G89.3Confident91.4Very high40 Ų4053.6 Ų53.641%0.41228%0.283SS..Hα-helixtrans-58.5-37.9-178.800000113H109G105-H109 VanDerWaalsContact O-CB 3.31Å; G105-H109 WeakPolarHBondContact O-CB 3.41Å; G105-H109 PolarHBondContact O-CD2 2.9Å; G105-H109 PolarHBondContact O-N 3.37Å
106G89.5Confident91.9Very high10 Ų1047.1 Ų47.110%0.10326%0.26CS..Iπ-helixtrans-61-47.9173.200000112.2S104 V110 L111S104-G106 VanDerWaalsContact C-N 3.26Å; S104-G106 PolarHBondContact O-N 3.27Å; G106-V110 WeakPolarHBondContact O-CA 3.31Å; G106-V110 WeakPolarHBondContact O-CB 3.33Å; G106-V110 PolarHBondContact O-N 3.23Å; G106-L111 PolarHBondContact O-N 2.95Å
107Y92.1Very high92.3Very high15 Ų1545.9 Ų45.96%0.05926%0.257CS..Iπ-helixtrans-63.9-51.6178.1-168.5-83.8000111.6I100 T102 S104 L111 K112 F124 L137I100-Y107 HydrophobicContact CG2-CD2 4.07Å; T102-Y107 HydrophobicContact CG2-CD1 4.43Å; T102-Y107 HydrophobicContact CG2-CD2 4.44Å; T102-Y107 HydrophobicContact CG2-CE1 3.92Å; T102-Y107 HydrophobicContact CG2-CE2 3.98Å; T102-Y107 WeakPolarHBondContact O-CD1 3.24Å; S104-Y107 PolarHBondContact O-N 3.08Å; S104-Y107 VanDerWaalsContact OG-CB 3.29Å; S104-Y107 WeakPolarHBondContact OG-CB 3.44Å; S104-Y107 PolarHBondContact OG-N 3.15Å; Y107-L111 HydrophobicContact CD2-CD1 3.91Å; Y107-L111 HydrophobicContact CE2-CD1 4.44Å; Y107-L111 HydrophobicContact CG-CD1 4.48Å; Y107-L111 WeakPolarHBondContact O-CA 3.36Å; Y107-L111 VanDerWaalsContact O-CB 3.3Å; Y107-L111 WeakPolarHBondContact O-CB 3.36Å; Y107-L111 PolarHBondContact O-N 3.11Å; Y107-L111 VanDerWaalsContact O-N 3.15Å; Y107-K112 HydrophobicContact CD1-CD 3.67Å; Y107-K112 HydrophobicContact CD1-CG 3.53Å; Y107-K112 HydrophobicContact CE1-CD 3.44Å; Y107-K112 VanDerWaalsContact CE1-CD 3.44Å; Y107-K112 HydrophobicContact CE1-CG 3.43Å; Y107-K112 VanDerWaalsContact CE1-CG 3.43Å; Y107-K112 WeakPolarHBondContact O-CG 3.33Å; Y107-K112 PolarHBondContact O-N 2.93Å; Y107-F124 HydrophobicContact CD2-CE2 4.12Å; Y107-F124 HydrophobicContact CD2-CZ 4.4Å; Y107-F124 HydrophobicContact CE2-CD2 4.3Å; Y107-F124 AromaticContact CE2-CE2 3.6Å; Y107-F124 HydrophobicContact CE2-CE2 3.6Å; Y107-F124 HydrophobicContact CE2-CZ 4.3Å; Y107-L137 HydrophobicContact CE2-CD1 3.99Å
108V92.4Very high92.5Very high56 Ų5649.8 Ų49.834%0.33928%0.279SS..Iπ-helixtrans-68.7-48.2-174.2177.60000112.5T102 S104 G113T102-V108 VanDerWaalsContact O-CG2 3.3Å; T102-V108 WeakPolarHBondContact O-CG2 3.42Å; S104-V108 WeakPolarHBondContact O-CG2 3.46Å; S104-V108 PolarHBondContact O-N 2.88Å; V108-G113 PolarHBondContact O-N 3.04Å
109H91.6Very high92.7Very high150 Ų15048.8 Ų48.869%0.69427%0.272SS*.Iπ-helixtrans-92.7-25.6-171-57.3-61.9000113.8G105G105-H109 VanDerWaalsContact O-CB 3.31Å; G105-H109 WeakPolarHBondContact O-CB 3.41Å; G105-H109 PolarHBondContact O-CD2 2.9Å; G105-H109 PolarHBondContact O-N 3.37Å
110V94Very high92.8Very high41 Ų4147 Ų4725%0.24826%0.261CS..Iπ-helixtrans-99.8-42.4-179.5-170.90000111.2R76 L80 G106 V114R76-V110 HydrophobicContact CB-CG1 4Å; L80-V110 HydrophobicContact CD2-CB 4.04Å; L80-V110 HydrophobicContact CD2-CG1 4.2Å; G106-V110 WeakPolarHBondContact O-CA 3.31Å; G106-V110 WeakPolarHBondContact O-CB 3.33Å; G106-V110 PolarHBondContact O-N 3.23Å; V110-V114 VanDerWaalsContact O-CG2 3.24Å; V110-V114 WeakPolarHBondContact O-CG2 3.37Å
111L94.7Very high92.9Very high4 Ų448.1 Ų48.12%0.02127%0.268CS..Iπ-helixtrans-89.1-63-178-57.6-179.7000112.1A77 L80 L81 G106 Y107 G113 V114 L115 L120 F124A77-L111 HydrophobicContact CB-CD2 3.82Å; L80-L111 HydrophobicContact CB-CD2 4.26Å; L80-L111 HydrophobicContact CD2-CD1 4.18Å; L80-L111 HydrophobicContact CD2-CD2 4.01Å; L80-L111 HydrophobicContact CD2-CG 3.86Å; L80-L111 HydrophobicContact CG-CD2 4.39Å; L81-L111 HydrophobicContact CD2-CD1 4.33Å; L81-L111 HydrophobicContact CD2-CD2 4.33Å; L81-L111 HydrophobicContact CG-CD2 4.07Å; G106-L111 PolarHBondContact O-N 2.95Å; Y107-L111 HydrophobicContact CD2-CD1 3.91Å; Y107-L111 HydrophobicContact CE2-CD1 4.44Å; Y107-L111 HydrophobicContact CG-CD1 4.48Å; Y107-L111 WeakPolarHBondContact O-CA 3.36Å; Y107-L111 VanDerWaalsContact O-CB 3.3Å; Y107-L111 WeakPolarHBondContact O-CB 3.36Å; Y107-L111 PolarHBondContact O-N 3.11Å; Y107-L111 VanDerWaalsContact O-N 3.15Å; L111-G113 PolarHBondContact O-N 3.34Å; L111-G113 VanDerWaalsContact O-N 3.11Å; L111-V114 WeakPolarHBondContact O-CG2 3.49Å; L111-V114 PolarHBondContact O-N 2.95Å; L111-L115 PolarHBondContact O-N 2.86Å; L111-L120 HydrophobicContact CB-CD1 3.83Å; L111-L120 HydrophobicContact CB-CD2 3.78Å; L111-L120 HydrophobicContact CB-CG 4.49Å; L111-L120 HydrophobicContact CD1-CD2 4.37Å; L111-L120 HydrophobicContact CD2-CD2 4.33Å; L111-L120 HydrophobicContact CG-CD2 4.38Å; L111-F124 HydrophobicContact CD1-CE2 3.87Å; L111-F124 HydrophobicContact CD1-CZ 3.58Å
112K93.5Very high93Very high82 Ų8248.5 Ų48.536%0.35727%0.269SS..THydrogen-bonded Turntrans-63.8-20.5-177.3-49.2-166.397.9175.20113.2Y107 V114 D117 L120Y107-K112 HydrophobicContact CD1-CD 3.67Å; Y107-K112 HydrophobicContact CD1-CG 3.53Å; Y107-K112 HydrophobicContact CE1-CD 3.44Å; Y107-K112 VanDerWaalsContact CE1-CD 3.44Å; Y107-K112 HydrophobicContact CE1-CG 3.43Å; Y107-K112 VanDerWaalsContact CE1-CG 3.43Å; Y107-K112 WeakPolarHBondContact O-CG 3.33Å; Y107-K112 PolarHBondContact O-N 2.93Å; K112-V114 PolarHBondContact O-N 3.31Å; K112-D117 WeakPolarHBondContact CE-OD1 3.47Å; K112-D117 VanDerWaalsContact CE-OD2 3.28Å; K112-D117 WeakPolarHBondContact CE-OD2 3.45Å; K112-D117 IonicContact NZ-OD1 2.78Å; K112-D117 PolarHBondContact NZ-OD1 3.24Å; K112-D117 IonicContact NZ-OD2 3.25Å; K112-D117 PolarHBondContact NZ-OD2 3.05Å; K112-L120 HydrophobicContact CG-CD1 4.28Å
113G91.3Very high93.1Very high39 Ų3947.9 Ų47.940%0.40227%0.265SS..THydrogen-bonded Turntrans-69.4-21.5176.800000113.8R64 V108 L111R64-G113 PolarHBondContact NH2-O 3.25Å; V108-G113 PolarHBondContact O-N 3.04Å; L111-G113 PolarHBondContact O-N 3.34Å; L111-G113 VanDerWaalsContact O-N 3.11Å
114V94.6Very high93.4Very high22 Ų2242.5 Ų42.513%0.13324%0.242CC..THydrogen-bonded Turntrans-124.6-32.7-176.5-65.30000113.8G60 L74 A77 V110 L111 K112G60-V114 WeakPolarHBondContact CA-O 3.44Å; L74-V114 HydrophobicContact CD1-CB 4.37Å; L74-V114 HydrophobicContact CD1-CG2 4.24Å; A77-V114 HydrophobicContact CB-CG2 3.5Å; V110-V114 VanDerWaalsContact O-CG2 3.24Å; V110-V114 WeakPolarHBondContact O-CG2 3.37Å; L111-V114 WeakPolarHBondContact O-CG2 3.49Å; L111-V114 PolarHBondContact O-N 2.95Å; K112-V114 PolarHBondContact O-N 3.31Å
115L95.9Very high93.6Very high5 Ų546.2 Ų46.23%0.02626%0.256CS..SBendtrans-116.4146.7-176.9-70.6170000111.9L56 D59 L74 A77 F78 L81 L111 L120L56-L115 HydrophobicContact CB-CD2 4.41Å; L56-L115 HydrophobicContact CD2-CD1 4.05Å; L56-L115 HydrophobicContact CD2-CD2 3.9Å; L56-L115 WeakPolarHBondContact O-CD2 3.46Å; D59-L115 WeakPolarHBondContact OD2-CA 3.43Å; L74-L115 HydrophobicContact CD1-CD1 4.44Å; L74-L115 HydrophobicContact CD1-CD2 3.88Å; L74-L115 HydrophobicContact CD1-CG 4.03Å; A77-L115 HydrophobicContact CB-CD1 4.49Å; F78-L115 HydrophobicContact CE1-CD1 4.39Å; L81-L115 HydrophobicContact CD1-CD1 4.39Å; L111-L115 PolarHBondContact O-N 2.86Å; L115-L120 HydrophobicContact CB-CD1 4.31Å; L115-L120 HydrophobicContact CB-CD2 3.81Å; L115-L120 HydrophobicContact CB-CG 3.8Å; L115-L120 HydrophobicContact CD1-CD2 3.78Å; L115-L120 HydrophobicContact CG-CD2 4.46Å
116S95.2Very high93.8Very high41 Ų4146.1 Ų46.129%0.28725%0.245SC..  trans-66.9150174.158.10000112.9D59 D118 L119 L120D59-S116 WeakPolarHBondContact OD1-CB 3.33Å; D59-S116 PolarHBondContact OD1-OG 3.37Å; D59-S116 PolarHBondContact OD2-N 2.95Å; D59-S116 PolarHBondContact OD2-OG 3.4Å; S116-D118 PolarHBondContact O-N 3.09Å; S116-L119 PolarHBondContact O-N 2.91Å; S116-L120 WeakPolarHBondContact O-CG 3.38Å; S116-L120 PolarHBondContact O-N 3.2Å
117D93.7Very high94.1Very high71 Ų7145.7 Ų45.738%0.3824%0.24SC..Hα-helixtrans-58.6-34.5-177.9-80.810.9000112.6K112 L121K112-D117 WeakPolarHBondContact CE-OD1 3.47Å; K112-D117 VanDerWaalsContact CE-OD2 3.28Å; K112-D117 WeakPolarHBondContact CE-OD2 3.45Å; K112-D117 IonicContact NZ-OD1 2.78Å; K112-D117 PolarHBondContact NZ-OD1 3.24Å; K112-D117 IonicContact NZ-OD2 3.25Å; K112-D117 PolarHBondContact NZ-OD2 3.05Å; D117-L121 VanDerWaalsContact O-CB 3.28Å; D117-L121 WeakPolarHBondContact O-CB 3.34Å; D117-L121 PolarHBondContact O-N 3.35Å
118D93.7Very high94.2Very high118 Ų11845.5 Ų45.563%0.63124%0.243SC*.Hα-helixtrans-68.8-44.4-179.8-68.6-35000112S116 L121 K122S116-D118 PolarHBondContact O-N 3.09Å; D118-L121 PolarHBondContact O-N 2.93Å; D118-K122 WeakPolarHBondContact O-CG 3.39Å; D118-K122 PolarHBondContact O-N 2.85Å
119L95.1Very high94.3Very high18 Ų1843 Ų439%0.09423%0.228CC..Hα-helixtrans-70.9-37.6177.3-70.3-175.5000112A55 L56 D59 S116 K122 S123A55-L119 HydrophobicContact CB-CD2 4.42Å; L56-L119 HydrophobicContact CD2-CB 3.88Å; L56-L119 HydrophobicContact CD2-CD1 4.16Å; D59-L119 HydrophobicContact CB-CD1 3.4Å; D59-L119 VanDerWaalsContact CB-CD1 3.4Å; S116-L119 PolarHBondContact O-N 2.91Å; L119-K122 HydrophobicContact CD2-CD 4.3Å; L119-K122 PolarHBondContact O-N 3.22Å; L119-S123 WeakPolarHBondContact O-CB 3.24Å; L119-S123 PolarHBondContact O-N 3.34Å; L119-S123 PolarHBondContact O-OG 3.38Å
120L95.1Very high94.5Very high0 Ų038.8 Ų38.80%021%0.212CC..Hα-helixtrans-60-47.1172.1-72.7176.5000111L111 K112 L115 S116 K122 S123 F124L111-L120 HydrophobicContact CB-CD1 3.83Å; L111-L120 HydrophobicContact CB-CD2 3.78Å; L111-L120 HydrophobicContact CB-CG 4.49Å; L111-L120 HydrophobicContact CD1-CD2 4.37Å; L111-L120 HydrophobicContact CD2-CD2 4.33Å; L111-L120 HydrophobicContact CG-CD2 4.38Å; K112-L120 HydrophobicContact CG-CD1 4.28Å; L115-L120 HydrophobicContact CB-CD1 4.31Å; L115-L120 HydrophobicContact CB-CD2 3.81Å; L115-L120 HydrophobicContact CB-CG 3.8Å; L115-L120 HydrophobicContact CD1-CD2 3.78Å; L115-L120 HydrophobicContact CG-CD2 4.46Å; S116-L120 WeakPolarHBondContact O-CG 3.38Å; S116-L120 PolarHBondContact O-N 3.2Å; L120-K122 VanDerWaalsContact C-N 3.35Å; L120-K122 PolarHBondContact O-N 2.93Å; L120-S123 PolarHBondContact O-N 3.02Å; L120-F124 WeakPolarHBondContact O-CD2 3.4Å; L120-F124 PolarHBondContact O-N 3.34Å
121L94.4Very high94.5Very high40 Ų4044.3 Ų44.321%0.20923%0.228CC..Hα-helixtrans-61-44178.2-177.361.2000111.5D117 D118 S123 F124 Q125 R131 L137D117-L121 VanDerWaalsContact O-CB 3.28Å; D117-L121 WeakPolarHBondContact O-CB 3.34Å; D117-L121 PolarHBondContact O-N 3.35Å; D118-L121 PolarHBondContact O-N 2.93Å; L121-S123 VanDerWaalsContact C-N 3.35Å; L121-S123 PolarHBondContact O-N 3.47Å; L121-F124 PolarHBondContact O-N 3.3Å; L121-Q125 HydrophobicContact CD1-CG 4.49Å; L121-Q125 HydrophobicContact CG-CG 4.5Å; L121-Q125 WeakPolarHBondContact O-CB 3.3Å; L121-Q125 VanDerWaalsContact O-CG 3.22Å; L121-Q125 WeakPolarHBondContact O-CG 3.33Å; L121-Q125 PolarHBondContact O-N 3.2Å; L121-R131 HydrophobicContact CD1-CB 4.12Å; L121-L137 HydrophobicContact CD1-CD2 3.81Å
122K94.8Very high94.3Very high111 Ų11151.8 Ų51.848%0.48326%0.256SS..Hα-helixtrans-59.5-44.2174.8-74173.2-176.2175.60112.1D118 L119 L120 F124 Q125 K126D118-K122 WeakPolarHBondContact O-CG 3.39Å; D118-K122 PolarHBondContact O-N 2.85Å; L119-K122 HydrophobicContact CD2-CD 4.3Å; L119-K122 PolarHBondContact O-N 3.22Å; L120-K122 VanDerWaalsContact C-N 3.35Å; L120-K122 PolarHBondContact O-N 2.93Å; K122-F124 PolarHBondContact O-N 3.2Å; K122-Q125 WeakPolarHBondContact O-CB 3.5Å; K122-Q125 PolarHBondContact O-N 2.97Å; K122-K126 WeakPolarHBondContact O-CG 3.39Å; K122-K126 PolarHBondContact O-N 3.32Å
123S94.9Very high94.1Very high2 Ų251 Ų511%0.01426%0.256CS..Hα-helixtrans-61.7-43.9177.3-71.50000111.9L119 L120 L121 K126L119-S123 WeakPolarHBondContact O-CB 3.24Å; L119-S123 PolarHBondContact O-N 3.34Å; L119-S123 PolarHBondContact O-OG 3.38Å; L120-S123 PolarHBondContact O-N 3.02Å; L121-S123 VanDerWaalsContact C-N 3.35Å; L121-S123 PolarHBondContact O-N 3.47Å; S123-K126 WeakPolarHBondContact O-CB 3.47Å; S123-K126 PolarHBondContact O-N 2.96Å
124F95.6Very high93.8Very high4 Ų452.7 Ų52.72%0.01826%0.262CS..Hα-helixtrans-68.5-34175.7-77.1-59.1000113L81 A84 I100 Y107 L111 L120 L121 K122 K126 M127 G128 Y129 L137L81-F124 HydrophobicContact CD2-CE1 3.89Å; L81-F124 HydrophobicContact CD2-CE2 4.1Å; L81-F124 HydrophobicContact CD2-CZ 3.65Å; A84-F124 HydrophobicContact CB-CE1 4.43Å; I100-F124 HydrophobicContact CD1-CD1 3.64Å; I100-F124 HydrophobicContact CD1-CE1 3.26Å; I100-F124 HydrophobicContact CD1-CZ 3.97Å; Y107-F124 HydrophobicContact CD2-CE2 4.12Å; Y107-F124 HydrophobicContact CD2-CZ 4.4Å; Y107-F124 HydrophobicContact CE2-CD2 4.3Å; Y107-F124 AromaticContact CE2-CE2 3.6Å; Y107-F124 HydrophobicContact CE2-CE2 3.6Å; Y107-F124 HydrophobicContact CE2-CZ 4.3Å; L111-F124 HydrophobicContact CD1-CE2 3.87Å; L111-F124 HydrophobicContact CD1-CZ 3.58Å; L120-F124 WeakPolarHBondContact O-CD2 3.4Å; L120-F124 PolarHBondContact O-N 3.34Å; L121-F124 PolarHBondContact O-N 3.3Å; K122-F124 PolarHBondContact O-N 3.2Å; F124-K126 VanDerWaalsContact C-N 3.26Å; F124-K126 PolarHBondContact O-N 3.3Å; F124-M127 HydrophobicContact CD1-CE 4.06Å; F124-M127 HydrophobicContact CD1-SD 4.23Å; F124-M127 HydrophobicContact CE1-CE 4.34Å; F124-M127 PolarHBondContact O-N 3.46Å; F124-G128 PolarHBondContact O-N 3.39Å; F124-Y129 HydrophobicContact CB-CD2 4.08Å; F124-Y129 HydrophobicContact CB-CG 4.36Å; F124-Y129 AromaticContact CD1-CD2 3.77Å; F124-Y129 HydrophobicContact CD1-CD2 3.77Å; F124-Y129 HydrophobicContact CD1-CE2 4.01Å; F124-Y129 HydrophobicContact CD1-CG 4.45Å; F124-Y129 HydrophobicContact CG-CD2 4.38Å; F124-Y129 WeakPolarHBondContact O-CB 3.37Å; F124-Y129 WeakPolarHBondContact O-CD2 3.31Å; F124-Y129 PolarHBondContact O-N 3.4Å; F124-Y129 VanDerWaalsContact O-N 3.09Å; F124-L137 HydrophobicContact CB-CD1 4.1Å; F124-L137 HydrophobicContact CD1-CD1 4.5Å; F124-L137 HydrophobicContact CD2-CD1 3.5Å; F124-L137 HydrophobicContact CE2-CD1 4.05Å; F124-L137 HydrophobicContact CG-CD1 3.79Å
125Q94.9Very high93.5Very high101 Ų10156.4 Ų56.447%0.47228%0.277SS..Hα-helixtrans-60.5-35.5174.5-77.5168.8-8.100112.4L121 K122 M127 G128 Y129L121-Q125 HydrophobicContact CD1-CG 4.49Å; L121-Q125 HydrophobicContact CG-CG 4.5Å; L121-Q125 WeakPolarHBondContact O-CB 3.3Å; L121-Q125 VanDerWaalsContact O-CG 3.22Å; L121-Q125 WeakPolarHBondContact O-CG 3.33Å; L121-Q125 PolarHBondContact O-N 3.2Å; K122-Q125 WeakPolarHBondContact O-CB 3.5Å; K122-Q125 PolarHBondContact O-N 2.97Å; Q125-M127 PolarHBondContact O-N 3.26Å; Q125-G128 PolarHBondContact O-N 3.02Å; Q125-Y129 WeakPolarHBondContact CA-O 3.34Å
126K93.3Very high93.3Very high38 Ų3861.4 Ų61.417%0.16530%0.296CS..Hα-helixtrans-62.1-23.7174.7-65172.9177.9-173.60113.2D51 D52 K122 S123 F124 Q147 V151D51-K126 WeakPolarHBondContact OD1-CE 3.36Å; D51-K126 IonicContact OD1-NZ 2.83Å; D51-K126 PolarHBondContact OD1-NZ 3.4Å; D52-K126 IonicContact OD1-NZ 2.63Å; D52-K126 PolarHBondContact OD1-NZ 3.44Å; D52-K126 WeakPolarHBondContact OD2-CE 3.25Å; D52-K126 IonicContact OD2-NZ 2.79Å; D52-K126 PolarHBondContact OD2-NZ 2.92Å; K122-K126 WeakPolarHBondContact O-CG 3.39Å; K122-K126 PolarHBondContact O-N 3.32Å; S123-K126 WeakPolarHBondContact O-CB 3.47Å; S123-K126 PolarHBondContact O-N 2.96Å; F124-K126 VanDerWaalsContact C-N 3.26Å; F124-K126 PolarHBondContact O-N 3.3Å; K126-Q147 PolarHBondContact O-NE2 3.41Å; K126-V151 HydrophobicContact CB-CG2 3.8Å
127M95.1Very high93.1Very high1 Ų159.5 Ų59.51%0.00528%0.283CS..THydrogen-bonded Turntrans-94.34.8174.8-47.4172.9-14400112.9L81 A84 A85 L88 F124 Q125 Y129 P143 L148 V151L81-M127 HydrophobicContact CB-CE 4.38Å; L81-M127 HydrophobicContact CD2-CE 4.01Å; A84-M127 HydrophobicContact CB-SD 4.03Å; A85-M127 HydrophobicContact CB-CG 4.36Å; A85-M127 HydrophobicContact CB-SD 4.07Å; L88-M127 HydrophobicContact CD1-CB 3.88Å; F124-M127 HydrophobicContact CD1-CE 4.06Å; F124-M127 HydrophobicContact CD1-SD 4.23Å; F124-M127 HydrophobicContact CE1-CE 4.34Å; F124-M127 PolarHBondContact O-N 3.46Å; Q125-M127 PolarHBondContact O-N 3.26Å; M127-Y129 HydrophobicContact CB-CD2 3.77Å; M127-Y129 HydrophobicContact CB-CE2 3.78Å; M127-Y129 HydrophobicContact SD-CD2 4.45Å; M127-Y129 HydrophobicContact SD-CE2 4Å; M127-P143 VanDerWaalsContact O-CD 3.3Å; M127-P143 WeakPolarHBondContact O-CD 3.16Å; M127-P143 WeakPolarHBondContact O-CG 3.29Å; M127-L148 HydrophobicContact CB-CD2 4.07Å; M127-V151 HydrophobicContact CE-CG1 4.11Å; M127-V151 HydrophobicContact CG-CG1 3.93Å
128G94.4Very high93.2Very high12 Ų1259.3 Ų59.312%0.12428%0.28CS..THydrogen-bonded Turntrans87.97178.600000114.9F124 Q125 V139 T140F124-G128 PolarHBondContact O-N 3.39Å; Q125-G128 PolarHBondContact O-N 3.02Å; G128-V139 WeakPolarHBondContact O-CA 3.46Å; G128-T140 PolarHBondContact O-N 2.86Å; G128-T140 VanDerWaalsContact O-N 3.17Å
129Y95.4Very high93.2Very high4 Ų455 Ų552%0.01626%0.258CS..EExtended strand (participates in β ladder)trans-78.4138.2174.9-64.3-85.4000111.7L88 F97 I100 F124 Q125 M127 L137 M138 V139L88-Y129 HydrophobicContact CD1-CD2 4.38Å; L88-Y129 HydrophobicContact CD1-CE2 3.42Å; L88-Y129 VanDerWaalsContact CD1-CE2 3.42Å; L88-Y129 WeakPolarHBondContact CD1-OH 3.37Å; L88-Y129 HydrophobicContact CG-CE2 4.48Å; F97-Y129 PolarHBondContact O-OH 3.15Å; I100-Y129 HydrophobicContact CD1-CD1 4.15Å; I100-Y129 HydrophobicContact CD1-CD2 4.32Å; I100-Y129 HydrophobicContact CD1-CE1 3.61Å; I100-Y129 HydrophobicContact CD1-CE2 3.83Å; I100-Y129 HydrophobicContact CD1-CG 4.49Å; I100-Y129 VanDerWaalsContact CD1-CZ 3.44Å; I100-Y129 HydrophobicContact CG1-CD1 4.38Å; I100-Y129 HydrophobicContact CG1-CE1 3.7Å; F124-Y129 HydrophobicContact CB-CD2 4.08Å; F124-Y129 HydrophobicContact CB-CG 4.36Å; F124-Y129 AromaticContact CD1-CD2 3.77Å; F124-Y129 HydrophobicContact CD1-CD2 3.77Å; F124-Y129 HydrophobicContact CD1-CE2 4.01Å; F124-Y129 HydrophobicContact CD1-CG 4.45Å; F124-Y129 HydrophobicContact CG-CD2 4.38Å; F124-Y129 WeakPolarHBondContact O-CB 3.37Å; F124-Y129 WeakPolarHBondContact O-CD2 3.31Å; F124-Y129 PolarHBondContact O-N 3.4Å; F124-Y129 VanDerWaalsContact O-N 3.09Å; Q125-Y129 WeakPolarHBondContact CA-O 3.34Å; M127-Y129 HydrophobicContact CB-CD2 3.77Å; M127-Y129 HydrophobicContact CB-CE2 3.78Å; M127-Y129 HydrophobicContact SD-CD2 4.45Å; M127-Y129 HydrophobicContact SD-CE2 4Å; Y129-L137 HydrophobicContact CD1-CB 4.26Å; Y129-M138 WeakPolarHBondContact CA-O 3.41Å; Y129-V139 HydrophobicContact CD1-CG2 3.54Å; Y129-V139 HydrophobicContact CD2-CG2 4.4Å; Y129-V139 HydrophobicContact CE1-CG2 3.38Å; Y129-V139 HydrophobicContact CE2-CG2 4.27Å; Y129-V139 HydrophobicContact CG-CG2 4.05Å
130V94.2Very high92.9Very high60 Ų6057.6 Ų57.636%0.36428%0.275SS..EExtended strand (participates in β ladder)trans-123.9143171.6-176.40000108.9R132 L137 M138 T140V130-R132 PolarHBondContact O-N 3.34Å; V130-L137 WeakPolarHBondContact O-CA 3.38Å; V130-M138 PolarHBondContact N-O 3.06Å; V130-M138 PolarHBondContact O-N 3.37Å; V130-T140 HydrophobicContact CB-CG2 3.8Å; V130-T140 HydrophobicContact CG2-CG2 3.77Å
131R93.9Very high92.5Very high157 Ų15760.8 Ų60.859%0.59230%0.301SS*.EExtended strand (participates in β ladder)trans-68.7117.2173.8-167.4166.7106.2171.44109.8L121 D133 L137L121-R131 HydrophobicContact CD1-CB 4.12Å; R131-D133 WeakPolarHBondContact CG-O 3.35Å; R131-L137 HydrophobicContact CB-CD2 3.8Å; R131-L137 HydrophobicContact CG-CD2 4.1Å
132R90.9Very high92.2Very high162 Ų16263.2 Ų63.261%0.61131%0.313SS*.EExtended strand (participates in β ladder)trans-91.8-41.9177.9-71.2-63-168.8174.13.5111.7V130 R136 M138 T140V130-R132 PolarHBondContact O-N 3.34Å; R132-R136 PolarHBondContact N-O 2.91Å; R132-R136 VanDerWaalsContact N-O 3.08Å; R132-M138 HydrophobicContact CG-CB 3.86Å; R132-M138 HydrophobicContact CG-CG 3.97Å; R132-M138 HydrophobicContact CG-SD 3.95Å; R132-T140 VanDerWaalsContact NH2-CG2 3.31Å
133D88.6Confident92.1Very high64 Ų6458.7 Ų58.734%0.34230%0.296SS..EExtended strand (participates in β ladder)trans-143.2-174.5177.659.943.5000109.8R131 H135 R136R131-D133 WeakPolarHBondContact CG-O 3.35Å; D133-H135 PolarHBondContact O-N 2.9Å; D133-H135 VanDerWaalsContact OD1-C 3.27Å; D133-H135 VanDerWaalsContact OD1-CA 3.29Å; D133-H135 WeakPolarHBondContact OD1-CA 3.49Å; D133-H135 PolarHBondContact OD1-N 3.31Å; D133-R136 VanDerWaalsContact OD1-CB 3.29Å; D133-R136 WeakPolarHBondContact OD1-CB 3.3Å; D133-R136 WeakPolarHBondContact OD1-CG 3.35Å; D133-R136 PolarHBondContact OD1-N 3.04Å; D133-R136 WeakPolarHBondContact OD2-CD 3.44Å; D133-R136 IonicContact OD2-NE 3.52Å
134S85.5Confident91.9Very high76 Ų7662.4 Ų62.453%0.53132%0.32SS..THydrogen-bonded Turntrans-64.1-15.917847.60000114.1T102T102-S134 PolarHBondContact OG1-O 3.14Å
135H87.9Confident91.8Very high100 Ų10064.9 Ų64.946%0.46334%0.341SS..THydrogen-bonded Turntrans-123.1-4.6-166.6-61.7-50.9000114.3K101 T102 F103 D133K101-H135 WeakPolarHBondContact CA-O 3.49Å; T102-H135 PolarHBondContact N-O 2.84Å; T102-H135 VanDerWaalsContact OG1-C 3.25Å; T102-H135 WeakPolarHBondContact OG1-CA 3.38Å; T102-H135 PolarHBondContact OG1-O 3.31Å; F103-H135 HydrophobicContact CD1-CB 4.01Å; F103-H135 HydrophobicContact CE1-CB 4.25Å; D133-H135 PolarHBondContact O-N 2.9Å; D133-H135 VanDerWaalsContact OD1-C 3.27Å; D133-H135 VanDerWaalsContact OD1-CA 3.29Å; D133-H135 WeakPolarHBondContact OD1-CA 3.49Å; D133-H135 PolarHBondContact OD1-N 3.31Å
136R91.6Very high91.6Very high110 Ų11064.6 Ų64.642%0.41535%0.349SS..EExtended strand (participates in β ladder)trans-142.1132.5-170.8-57.7-176.9-172.2-140.33113.1I100 R132 D133I100-R136 WeakPolarHBondContact O-CA 3.3Å; R132-R136 PolarHBondContact N-O 2.91Å; R132-R136 VanDerWaalsContact N-O 3.08Å; D133-R136 VanDerWaalsContact OD1-CB 3.29Å; D133-R136 WeakPolarHBondContact OD1-CB 3.3Å; D133-R136 WeakPolarHBondContact OD1-CG 3.35Å; D133-R136 PolarHBondContact OD1-N 3.04Å; D133-R136 WeakPolarHBondContact OD2-CD 3.44Å; D133-R136 IonicContact OD2-NE 3.52Å
137L93.1Very high91.6Very high1 Ų166.2 Ų66.21%0.00536%0.357CS..EExtended strand (participates in β ladder)trans-106.9133.2164.4-56172.1000108T99 I100 T102 Y107 L121 F124 Y129 V130 R131T99-L137 CarbonylContact C-O 3.4Å; T99-L137 WeakPolarHBondContact CA-O 3.5Å; I100-L137 HydrophobicContact CB-CB 4.24Å; I100-L137 PolarHBondContact N-O 2.85Å; I100-L137 PolarHBondContact O-N 3.43Å; T102-L137 HydrophobicContact CG2-CD1 4.32Å; T102-L137 HydrophobicContact CG2-CG 4Å; Y107-L137 HydrophobicContact CE2-CD1 3.99Å; L121-L137 HydrophobicContact CD1-CD2 3.81Å; F124-L137 HydrophobicContact CB-CD1 4.1Å; F124-L137 HydrophobicContact CD1-CD1 4.5Å; F124-L137 HydrophobicContact CD2-CD1 3.5Å; F124-L137 HydrophobicContact CE2-CD1 4.05Å; F124-L137 HydrophobicContact CG-CD1 3.79Å; Y129-L137 HydrophobicContact CD1-CB 4.26Å; V130-L137 WeakPolarHBondContact O-CA 3.38Å; R131-L137 HydrophobicContact CB-CD2 3.8Å; R131-L137 HydrophobicContact CG-CD2 4.1Å
138M93.8Very high91.5Very high67 Ų6766.3 Ų66.333%0.3336%0.358SS..EExtended strand (participates in β ladder)trans-131.2140179.4-68.8-174.568.300111.4T98 T99 Y129 V130 R132 T140T98-M138 CarbonylContact O-C 3.12Å; T98-M138 WeakPolarHBondContact O-CA 3.36Å; T99-M138 HydrophobicContact CG2-CG 3.95Å; Y129-M138 WeakPolarHBondContact CA-O 3.41Å; V130-M138 PolarHBondContact N-O 3.06Å; V130-M138 PolarHBondContact O-N 3.37Å; R132-M138 HydrophobicContact CG-CB 3.86Å; R132-M138 HydrophobicContact CG-CG 3.97Å; R132-M138 HydrophobicContact CG-SD 3.95Å; M138-T140 PolarHBondContact O-N 3.23Å
139V94.2Very high91.6Very high28 Ų2866 Ų6617%0.1735%0.353CS..EExtended strand (participates in β ladder)trans-67.9118.2171.5-178.10000108.9L88 T98 G128 Y129 L142L88-V139 HydrophobicContact CD1-CG2 4.13Å; L88-V139 HydrophobicContact CD2-CG2 3.9Å; T98-V139 PolarHBondContact O-N 2.84Å; G128-V139 WeakPolarHBondContact O-CA 3.46Å; Y129-V139 HydrophobicContact CD1-CG2 3.54Å; Y129-V139 HydrophobicContact CD2-CG2 4.4Å; Y129-V139 HydrophobicContact CE1-CG2 3.38Å; Y129-V139 HydrophobicContact CE2-CG2 4.27Å; Y129-V139 HydrophobicContact CG-CG2 4.05Å; V139-L142 HydrophobicContact CG1-CD1 4.46Å
140T88.6Confident91.5Very high72 Ų7270 Ų7044%0.44237%0.372SS..SBendtrans-93.8-38.1178.856.60000112.2G128 V130 R132 M138G128-T140 PolarHBondContact O-N 2.86Å; G128-T140 VanDerWaalsContact O-N 3.17Å; V130-T140 HydrophobicContact CB-CG2 3.8Å; V130-T140 HydrophobicContact CG2-CG2 3.77Å; R132-T140 VanDerWaalsContact NH2-CG2 3.31Å; M138-T140 PolarHBondContact O-N 3.23Å
141A87.2Confident91.5Very high66 Ų6667.6 Ų67.655%0.54536%0.358SS..SBendtrans-140.7129.6173.300000107P143A141-P143 WeakPolarHBondContact O-CD 3.37Å
142L89.2Confident91.6Very high91 Ų9160.2 Ų60.248%0.47633%0.33SS..PPolyproline II helixtrans-71.8123.1178.2-171.667.3000108.6L88 P92 V139 L148L88-L142 HydrophobicContact CD2-CD1 4.46Å; P92-L142 HydrophobicContact CB-CD2 3.6Å; P92-L142 HydrophobicContact CG-CD2 4.44Å; V139-L142 HydrophobicContact CG1-CD1 4.46Å; L142-L148 HydrophobicContact CD1-CD1 4.04Å
143P91.1Very high91.8Very high17 Ų1752.5 Ų52.511%0.1130%0.301CS..PPolyproline II helixtrans-64.9162.6176.7-19.131.7000111.9M127 A141 Q147 L148M127-P143 VanDerWaalsContact O-CD 3.3Å; M127-P143 WeakPolarHBondContact O-CD 3.16Å; M127-P143 WeakPolarHBondContact O-CG 3.29Å; A141-P143 WeakPolarHBondContact O-CD 3.37Å; P143-Q147 HydrophobicContact CB-CB 4.33Å; P143-Q147 HydrophobicContact CB-CG 4.33Å; P143-L148 HydrophobicContact CB-CD2 4.47Å; P143-L148 HydrophobicContact CB-CG 4.4Å; P143-L148 HydrophobicContact CG-CD2 4.16Å
144P92.6Very high92.1Very high79 Ų7949.5 Ų49.551%0.51329%0.285SS..PPolyproline II helixtrans-53143.7169.7-24.334.6000111.8C146 Q147 L148P144-C146 PolarHBondContact O-N 3.5Å; P144-Q147 WeakPolarHBondContact O-CB 3.37Å; P144-Q147 PolarHBondContact O-N 3.27Å; P144-L148 PolarHBondContact O-N 3.36Å
145A92.2Very high92.7Very high57 Ų5746 Ų4647%0.47126%0.26SS..Hα-helixtrans-54.5-40.4-179.300000113.1Y89 Q147 L148 V149Y89-A145 HydrophobicContact CD2-CB 4.1Å; Y89-A145 HydrophobicContact CE2-CB 3.89Å; A145-Q147 VanDerWaalsContact C-N 3.27Å; A145-Q147 PolarHBondContact O-N 3.05Å; A145-L148 PolarHBondContact O-N 3.27Å; A145-V149 WeakPolarHBondContact O-CG2 3.34Å; A145-V149 PolarHBondContact O-N 2.87Å
146C91.1Very high93.1Very high94 Ų9441.3 Ų41.364%0.63524%0.239SC*.Hα-helixtrans-59.8-36.6177.355.30000112.7P144 Q150P144-C146 PolarHBondContact O-N 3.5Å; C146-Q150 WeakPolarHBondContact O-CB 3.28Å; C146-Q150 PolarHBondContact O-N 3.48Å
147Q92.7Very high93.3Very high73 Ų7336 Ų3634%0.34122%0.219SC..Hα-helixtrans-68.8-43.2177.6-178.3177.1-8.400111.3K126 P143 P144 A145 V149 Q150 V151K126-Q147 PolarHBondContact O-NE2 3.41Å; P143-Q147 HydrophobicContact CB-CB 4.33Å; P143-Q147 HydrophobicContact CB-CG 4.33Å; P144-Q147 WeakPolarHBondContact O-CB 3.37Å; P144-Q147 PolarHBondContact O-N 3.27Å; A145-Q147 VanDerWaalsContact C-N 3.27Å; A145-Q147 PolarHBondContact O-N 3.05Å; Q147-V149 VanDerWaalsContact C-N 3.35Å; Q147-V149 PolarHBondContact O-N 3.11Å; Q147-Q150 PolarHBondContact O-N 2.87Å; Q147-V151 WeakPolarHBondContact O-CG2 3.36Å; Q147-V151 PolarHBondContact O-N 3.07Å
148L94.4Very high93.4Very high2 Ų236 Ų361%0.0122%0.219CC..Hα-helixtrans-63.6-41.7176.8-67.3173.7000111.8L88 M127 L142 P143 P144 A145 Q150 V151 A152L88-L148 HydrophobicContact CB-CD1 4.06Å; L88-L148 HydrophobicContact CB-CD2 4.25Å; L88-L148 HydrophobicContact CD1-CD2 4.29Å; M127-L148 HydrophobicContact CB-CD2 4.07Å; L142-L148 HydrophobicContact CD1-CD1 4.04Å; P143-L148 HydrophobicContact CB-CD2 4.47Å; P143-L148 HydrophobicContact CB-CG 4.4Å; P143-L148 HydrophobicContact CG-CD2 4.16Å; P144-L148 PolarHBondContact O-N 3.36Å; A145-L148 PolarHBondContact O-N 3.27Å; L148-Q150 VanDerWaalsContact C-N 3.34Å; L148-V151 PolarHBondContact O-N 3Å; L148-A152 WeakPolarHBondContact O-CB 3.46Å; L148-A152 PolarHBondContact O-N 3.09Å
149V94.7Very high93.5Very high6 Ų634.1 Ų34.14%0.03621%0.208CC..Hα-helixtrans-61.7-43174.1170.80000110.8Y10 R11 Y89 A145 Q147 A152 L153Y10-V149 HydrophobicContact CD1-CG1 4.17Å; R11-V149 HydrophobicContact CB-CG1 4.16Å; R11-V149 HydrophobicContact CB-CG2 4.47Å; R11-V149 HydrophobicContact CG-CG2 4.35Å; Y89-V149 HydrophobicContact CD1-CG2 4.14Å; Y89-V149 HydrophobicContact CD2-CG2 3.88Å; Y89-V149 HydrophobicContact CE1-CG2 4.1Å; Y89-V149 HydrophobicContact CE2-CG2 3.84Å; Y89-V149 HydrophobicContact CG-CG2 4.05Å; A145-V149 WeakPolarHBondContact O-CG2 3.34Å; A145-V149 PolarHBondContact O-N 2.87Å; Q147-V149 VanDerWaalsContact C-N 3.35Å; Q147-V149 PolarHBondContact O-N 3.11Å; V149-A152 PolarHBondContact O-N 3.34Å; V149-L153 WeakPolarHBondContact O-CB 3.41Å; V149-L153 PolarHBondContact O-N 2.94Å
150Q93.6Very high93.6Very high87 Ų8732.8 Ų32.841%0.40720%0.2SC..Hα-helixtrans-64.5-44177.9-176.2176.5-2.600112.1L49 C146 Q147 L148 A152 L153 G154L49-Q150 PolarHBondContact O-NE2 2.9Å; C146-Q150 WeakPolarHBondContact O-CB 3.28Å; C146-Q150 PolarHBondContact O-N 3.48Å; Q147-Q150 PolarHBondContact O-N 2.87Å; L148-Q150 VanDerWaalsContact C-N 3.34Å; Q150-A152 VanDerWaalsContact C-N 3.34Å; Q150-A152 PolarHBondContact O-N 2.82Å; Q150-L153 PolarHBondContact O-N 3.29Å; Q150-G154 PolarHBondContact O-N 2.87Å
151V95.2Very high94Very high11 Ų1129.3 Ų29.37%0.06718%0.179CC..Hα-helixtrans-62.1-43.4175.8173.20000110.8A85 K126 M127 Q147 L148 G154 C155A85-V151 HydrophobicContact CB-CB 4.46Å; A85-V151 HydrophobicContact CB-CG1 4.15Å; K126-V151 HydrophobicContact CB-CG2 3.8Å; M127-V151 HydrophobicContact CE-CG1 4.11Å; M127-V151 HydrophobicContact CG-CG1 3.93Å; Q147-V151 WeakPolarHBondContact O-CG2 3.36Å; Q147-V151 PolarHBondContact O-N 3.07Å; L148-V151 PolarHBondContact O-N 3Å; V151-G154 PolarHBondContact O-N 3.27Å; V151-C155 PolarHBondContact O-N 2.89Å; V151-C155 PolarHBondContact O-SG 3.17Å
152A96.1Very high94.5Very high1 Ų126.4 Ų26.41%0.00815%0.154CC..Hα-helixtrans-61.8-44.7176.100000111.8Y10 E82 A85 V86 L148 V149 Q150 C155 F156Y10-A152 HydrophobicContact CE1-CB 3.72Å; E82-A152 HydrophobicContact CG-CB 4.46Å; A85-A152 HydrophobicContact CB-CB 3.86Å; V86-A152 HydrophobicContact CG2-CB 3.94Å; L148-A152 WeakPolarHBondContact O-CB 3.46Å; L148-A152 PolarHBondContact O-N 3.09Å; V149-A152 PolarHBondContact O-N 3.34Å; Q150-A152 VanDerWaalsContact C-N 3.34Å; Q150-A152 PolarHBondContact O-N 2.82Å; A152-C155 PolarHBondContact O-N 3.28Å; A152-F156 WeakPolarHBondContact O-CB 3.17Å; A152-F156 PolarHBondContact O-N 2.91Å
153L95.1Very high94.8Very high1 Ų125 Ų251%0.00515%0.145CC..Hα-helixtrans-64.1-39.4176.1178.959.4000112.3L6 Y10 L35 L49 V149 Q150 F156 A157L6-L153 HydrophobicContact CB-CD2 4.21Å; Y10-L153 HydrophobicContact CD1-CB 4.28Å; Y10-L153 HydrophobicContact CD2-CD1 3.91Å; Y10-L153 HydrophobicContact CG-CB 4.37Å; Y10-L153 HydrophobicContact CG-CD1 4.07Å; L35-L153 HydrophobicContact CD2-CD1 4.01Å; L49-L153 HydrophobicContact CD1-CG 4.34Å; L49-L153 HydrophobicContact CD2-CD2 3.74Å; L49-L153 HydrophobicContact CD2-CG 4.02Å; V149-L153 WeakPolarHBondContact O-CB 3.41Å; V149-L153 PolarHBondContact O-N 2.94Å; Q150-L153 PolarHBondContact O-N 3.29Å; L153-F156 HydrophobicContact CD1-CD1 4.1Å; L153-F156 WeakPolarHBondContact O-CB 3.48Å; L153-F156 PolarHBondContact O-N 2.87Å; L153-A157 WeakPolarHBondContact O-CB 3.38Å; L153-A157 PolarHBondContact O-N 2.74Å
154G95.4Very high95Very high1 Ų124.2 Ų24.21%0.0114%0.14CC..Hα-helixtrans-61.6-44.517400000112.2Q150 V151 F156 A157 L158Q150-G154 PolarHBondContact O-N 2.87Å; V151-G154 PolarHBondContact O-N 3.27Å; G154-F156 VanDerWaalsContact C-N 3.33Å; G154-F156 PolarHBondContact O-N 3.39Å; G154-A157 PolarHBondContact O-N 3.04Å; G154-L158 WeakPolarHBondContact O-CG 3.46Å; G154-L158 PolarHBondContact O-N 2.7Å
155C96.6Very high95.2Very high1 Ų120.4 Ų20.41%0.00712%0.115CC..Hα-helixtrans-63.8-38.9174.1-64.30000111.9E82 V151 A152 L158 R159E82-C155 HydrophobicContact CB-CB 3.71Å; V151-C155 PolarHBondContact O-N 2.89Å; V151-C155 PolarHBondContact O-SG 3.17Å; A152-C155 PolarHBondContact O-N 3.28Å; C155-L158 PolarHBondContact O-N 3.06Å; C155-R159 WeakPolarHBondContact O-CB 3.31Å; C155-R159 PolarHBondContact O-N 3.47Å
156F96.1Very high95.5Very high2 Ų219 Ų191%0.00911%0.106CC..Hα-helixtrans-62.5-44.4174.3178-137.2000111.5Y10 L31 R32 L35 A152 L153 G154 R159 L160Y10-F156 AromaticContact CD2-CD1 3.91Å; Y10-F156 HydrophobicContact CD2-CD1 3.91Å; Y10-F156 HydrophobicContact CD2-CE1 4.45Å; Y10-F156 HydrophobicContact CE2-CB 4.03Å; Y10-F156 AromaticContact CE2-CD1 3.71Å; Y10-F156 HydrophobicContact CE2-CD1 3.71Å; Y10-F156 HydrophobicContact CE2-CE1 4.46Å; Y10-F156 HydrophobicContact CE2-CG 4.03Å; L31-F156 HydrophobicContact CG-CE1 4.39Å; R32-F156 HydrophobicContact CB-CZ 4.02Å; R32-F156 HydrophobicContact CG-CZ 4.46Å; L35-F156 HydrophobicContact CD2-CD1 3.41Å; L35-F156 VanDerWaalsContact CD2-CD1 3.41Å; L35-F156 HydrophobicContact CD2-CE1 3.54Å; L35-F156 HydrophobicContact CD2-CG 4.23Å; L35-F156 HydrophobicContact CD2-CZ 4.45Å; A152-F156 WeakPolarHBondContact O-CB 3.17Å; A152-F156 PolarHBondContact O-N 2.91Å; L153-F156 HydrophobicContact CD1-CD1 4.1Å; L153-F156 WeakPolarHBondContact O-CB 3.48Å; L153-F156 PolarHBondContact O-N 2.87Å; G154-F156 VanDerWaalsContact C-N 3.33Å; G154-F156 PolarHBondContact O-N 3.39Å; F156-R159 WeakPolarHBondContact O-CB 3.39Å; F156-R159 PolarHBondContact O-N 3.19Å; F156-L160 HydrophobicContact CD2-CG 4.31Å; F156-L160 HydrophobicContact CE1-CD1 4.29Å; F156-L160 HydrophobicContact CE2-CD1 4.07Å; F156-L160 HydrophobicContact CE2-CD2 3.95Å; F156-L160 HydrophobicContact CE2-CG 3.97Å; F156-L160 HydrophobicContact CZ-CD1 3.9Å; F156-L160 HydrophobicContact CZ-CD2 4.42Å; F156-L160 HydrophobicContact CZ-CG 4.33Å; F156-L160 WeakPolarHBondContact O-CG 3.49Å; F156-L160 PolarHBondContact O-N 3.46Å
157A95.6Very high95.7Very high0 Ų018.6 Ų18.60%010%0.095CC..Hα-helixtrans-61.6-45.9176.400000111.8L35 L39 L49 L153 G154 R159 L160 E161L35-A157 HydrophobicContact CD2-CB 4.22Å; L39-A157 HydrophobicContact CD1-CB 4.09Å; L39-A157 HydrophobicContact CD2-CB 4.37Å; L49-A157 HydrophobicContact CD1-CB 3.65Å; L153-A157 WeakPolarHBondContact O-CB 3.38Å; L153-A157 PolarHBondContact O-N 2.74Å; G154-A157 PolarHBondContact O-N 3.04Å; A157-R159 VanDerWaalsContact C-N 3.3Å; A157-R159 PolarHBondContact O-N 3.1Å; A157-L160 PolarHBondContact O-N 3.3Å; A157-L160 VanDerWaalsContact O-N 3.15Å; A157-E161 PolarHBondContact O-N 3.05Å
158L96.6Very high95.9Very high0 Ų015.1 Ų15.10%08%0.079CC..Hα-helixtrans-62.2-36.4176.5-79.2175.7000113A53 L56 L57 F78 G154 C155 E161 C162A53-L158 HydrophobicContact CB-CD1 4.42Å; A53-L158 HydrophobicContact CB-CD2 3.81Å; A53-L158 HydrophobicContact CB-CG 4.38Å; L56-L158 HydrophobicContact CD1-CD1 3.88Å; L57-L158 HydrophobicContact CD1-CD2 3.99Å; L57-L158 HydrophobicContact CD2-CD2 4.18Å; L57-L158 HydrophobicContact CG-CD2 3.9Å; F78-L158 HydrophobicContact CB-CB 4.4Å; F78-L158 HydrophobicContact CD1-CB 4.09Å; F78-L158 HydrophobicContact CD1-CD1 3.92Å; F78-L158 HydrophobicContact CD2-CB 3.54Å; F78-L158 HydrophobicContact CE1-CB 4.26Å; F78-L158 HydrophobicContact CE1-CD1 3.59Å; F78-L158 HydrophobicContact CE1-CG 4.48Å; F78-L158 HydrophobicContact CE2-CB 3.65Å; F78-L158 HydrophobicContact CE2-CD1 4.26Å; F78-L158 HydrophobicContact CE2-CD2 4.32Å; F78-L158 HydrophobicContact CE2-CG 4.32Å; F78-L158 HydrophobicContact CG-CB 3.77Å; F78-L158 HydrophobicContact CG-CD1 4.45Å; F78-L158 HydrophobicContact CZ-CB 4.05Å; F78-L158 HydrophobicContact CZ-CD1 3.77Å; F78-L158 HydrophobicContact CZ-CD2 4.31Å; F78-L158 HydrophobicContact CZ-CG 4.29Å; G154-L158 WeakPolarHBondContact O-CG 3.46Å; G154-L158 PolarHBondContact O-N 2.7Å; C155-L158 PolarHBondContact O-N 3.06Å; L158-E161 PolarHBondContact O-N 3.47Å; L158-C162 PolarHBondContact O-N 2.95Å; L158-C162 PolarHBondContact O-SG 3.43Å
159R95.8Very high96Very high27 Ų2715.4 Ų15.410%0.1028%0.08CC..Hα-helixtrans-62.2-44.9172.7179.316562.593.1-11.4111.5C26 A75 F78 E82 C155 F156 A157 E161 C162 E163C26-R159 PolarHBondContact O-NH2 3.27Å; C26-R159 VanDerWaalsContact O-NH2 3.16Å; A75-R159 HydrophobicContact CB-CG 4.33Å; F78-R159 HydrophobicContact CB-CB 4.2Å; E82-R159 IonicContact OE1-NH2 3.43Å; E82-R159 IonicContact OE2-CZ 2.7Å; E82-R159 IonicContact OE2-NE 3.82Å; E82-R159 PolarHBondContact OE2-NE 2.81Å; E82-R159 IonicContact OE2-NH2 3.79Å; E82-R159 PolarHBondContact OE2-NH2 3.39Å; C155-R159 WeakPolarHBondContact O-CB 3.31Å; C155-R159 PolarHBondContact O-N 3.47Å; F156-R159 WeakPolarHBondContact O-CB 3.39Å; F156-R159 PolarHBondContact O-N 3.19Å; A157-R159 VanDerWaalsContact C-N 3.3Å; A157-R159 PolarHBondContact O-N 3.1Å; R159-E161 VanDerWaalsContact C-N 3.35Å; R159-C162 PolarHBondContact O-N 3.38Å; R159-E163 PolarHBondContact O-N 3.49Å
160L95.8Very high96.1Very high0 Ų018.4 Ų18.40%011%0.106CC..Hα-helixtrans-65.5-38174.7-62.7-175.1000112R32 L35 W36 L39 F156 A157 C162 E163 I164R32-L160 HydrophobicContact CG-CD1 4.4Å; R32-L160 HydrophobicContact CG-CD2 3.91Å; L35-L160 HydrophobicContact CB-CD1 3.99Å; L35-L160 HydrophobicContact CD2-CD1 3.8Å; L35-L160 HydrophobicContact CG-CD1 3.88Å; W36-L160 HydrophobicContact CE3-CB 4.39Å; W36-L160 HydrophobicContact CE3-CD2 4.38Å; L39-L160 HydrophobicContact CD1-CB 3.86Å; L39-L160 HydrophobicContact CD1-CD1 4.3Å; F156-L160 HydrophobicContact CD2-CG 4.31Å; F156-L160 HydrophobicContact CE1-CD1 4.29Å; F156-L160 HydrophobicContact CE2-CD1 4.07Å; F156-L160 HydrophobicContact CE2-CD2 3.95Å; F156-L160 HydrophobicContact CE2-CG 3.97Å; F156-L160 HydrophobicContact CZ-CD1 3.9Å; F156-L160 HydrophobicContact CZ-CD2 4.42Å; F156-L160 HydrophobicContact CZ-CG 4.33Å; F156-L160 WeakPolarHBondContact O-CG 3.49Å; F156-L160 PolarHBondContact O-N 3.46Å; A157-L160 PolarHBondContact O-N 3.3Å; A157-L160 VanDerWaalsContact O-N 3.15Å; L160-C162 VanDerWaalsContact C-N 3.3Å; L160-C162 PolarHBondContact O-N 3.49Å; L160-E163 CarbonylContact O-C 3.38Å; L160-E163 WeakPolarHBondContact O-CA 3.47Å; L160-E163 WeakPolarHBondContact O-CB 3.43Å; L160-E163 PolarHBondContact O-N 2.88Å; L160-I164 WeakPolarHBondContact O-CG1 3.34Å; L160-I164 PolarHBondContact O-N 2.96Å
161E96.5Very high96.2Very high0 Ų018.6 Ų18.60%011%0.107CC..Hα-helixtrans-61.8-40176.7-167.862.1-149.700111.7F43 H46 L57 A157 L158 R159 E163 I164 L165 R186F43-E161 HydrophobicContact CE2-CG 4.23Å; H46-E161 IonicContact CD2-OE2 3.7Å; H46-E161 IonicContact CE1-OE2 2.8Å; H46-E161 VanDerWaalsContact NE2-CD 3.3Å; H46-E161 WeakPolarHBondContact NE2-CG 3.28Å; H46-E161 IonicContact NE2-OE2 2.72Å; H46-E161 PolarHBondContact NE2-OE2 3.14Å; L57-E161 HydrophobicContact CD1-CG 4.19Å; A157-E161 PolarHBondContact O-N 3.05Å; L158-E161 PolarHBondContact O-N 3.47Å; R159-E161 VanDerWaalsContact C-N 3.35Å; E161-E163 PolarHBondContact O-N 3.46Å; E161-I164 PolarHBondContact O-N 3.4Å; E161-L165 HydrophobicContact CG-CD1 4.38Å; E161-L165 HydrophobicContact CG-CG 4.44Å; E161-L165 WeakPolarHBondContact O-CB 3.48Å; E161-L165 VanDerWaalsContact O-CG 3.29Å; E161-L165 WeakPolarHBondContact O-CG 3.49Å; E161-L165 PolarHBondContact O-N 2.74Å; E161-R186 WeakPolarHBondContact OE1-CG 3.46Å; E161-R186 IonicContact OE1-CZ 2.82Å; E161-R186 IonicContact OE1-NE 3.45Å; E161-R186 PolarHBondContact OE1-NE 3.18Å; E161-R186 IonicContact OE1-NH2 3.87Å; E161-R186 PolarHBondContact OE1-NH2 2.93Å; E161-R186 IonicContact OE2-NH2 3.01Å; E161-R186 PolarHBondContact OE2-NH2 2.93Å
162C97.3Very high96.2Very high4 Ų419.1 Ų19.13%0.02711%0.109CC..Hα-helixtrans-59.9-34.7174.2-660000112.2L71 A75 L158 R159 L160 G166L71-C162 HydrophobicContact CD2-CB 4.32Å; A75-C162 HydrophobicContact CB-CB 3.81Å; L158-C162 PolarHBondContact O-N 2.95Å; L158-C162 PolarHBondContact O-SG 3.43Å; R159-C162 PolarHBondContact O-N 3.38Å; L160-C162 VanDerWaalsContact C-N 3.3Å; L160-C162 PolarHBondContact O-N 3.49Å; C162-G166 PolarHBondContact O-N 3.25Å
163E96.8Very high96.1Very high62 Ų6222.4 Ų22.429%0.2914%0.143SC..Hα-helixtrans-75-39.4176.3-64.7177.2-148.600112.1R32 W36 R159 L160 E161 G166 E167R32-E163 IonicContact CZ-OE2 3.87Å; R32-E163 VanDerWaalsContact NH1-CD 3.27Å; R32-E163 IonicContact NH1-OE1 2.69Å; R32-E163 PolarHBondContact NH1-OE1 3.27Å; R32-E163 IonicContact NH1-OE2 3.1Å; R32-E163 PolarHBondContact NH1-OE2 2.97Å; R32-E163 IonicContact NH2-OE2 3.92Å; R32-E163 PolarHBondContact NH2-OE2 2.6Å; W36-E163 HydrophobicContact CH2-CB 4.06Å; W36-E163 HydrophobicContact CZ3-CB 3.68Å; R159-E163 PolarHBondContact O-N 3.49Å; L160-E163 CarbonylContact O-C 3.38Å; L160-E163 WeakPolarHBondContact O-CA 3.47Å; L160-E163 WeakPolarHBondContact O-CB 3.43Å; L160-E163 PolarHBondContact O-N 2.88Å; E161-E163 PolarHBondContact O-N 3.46Å; E163-G166 PolarHBondContact O-N 3.28Å; E163-E167 PolarHBondContact O-N 3.23Å
164I95.8Very high96Very high0 Ų024.5 Ų24.50%016%0.156CC..Hα-helixtrans-60.6-47.8173-67.9165.9000110.2W36 L39 V40 L160 E161 G166 E167 V168 V192W36-I164 HydrophobicContact CD2-CD1 4.23Å; W36-I164 HydrophobicContact CD2-CG1 3.87Å; W36-I164 HydrophobicContact CE3-CD1 4.33Å; W36-I164 HydrophobicContact CE3-CG1 3.85Å; W36-I164 HydrophobicContact CH2-CB 4.27Å; W36-I164 HydrophobicContact CH2-CG1 3.51Å; W36-I164 HydrophobicContact CZ2-CB 4.39Å; W36-I164 HydrophobicContact CZ2-CG1 3.52Å; W36-I164 HydrophobicContact CZ3-CG1 3.68Å; L39-I164 HydrophobicContact CB-CD1 3.81Å; V40-I164 HydrophobicContact CG2-CD1 3.96Å; V40-I164 HydrophobicContact CG2-CG1 4.27Å; V40-I164 HydrophobicContact CG2-CG2 4.49Å; L160-I164 WeakPolarHBondContact O-CG1 3.34Å; L160-I164 PolarHBondContact O-N 2.96Å; E161-I164 PolarHBondContact O-N 3.4Å; I164-G166 VanDerWaalsContact C-N 3.28Å; I164-G166 PolarHBondContact O-N 3.34Å; I164-E167 WeakPolarHBondContact O-CB 3.42Å; I164-E167 PolarHBondContact O-N 2.92Å; I164-E167 VanDerWaalsContact O-N 3.14Å; I164-V168 WeakPolarHBondContact O-CG2 3.27Å; I164-V168 PolarHBondContact O-N 3.25Å; I164-V192 HydrophobicContact CG2-CG2 4.02Å
165L96.8Very high95.8Very high0 Ų025.8 Ų25.80%016%0.164CC..Hα-helixtrans-61.5-39.1175-69.4178000111.2L71 E161 E167 V168 L169 L182 L183 R186L71-L165 HydrophobicContact CD1-CB 3.8Å; L71-L165 HydrophobicContact CD2-CB 3.91Å; L71-L165 HydrophobicContact CD2-CD1 3.83Å; E161-L165 HydrophobicContact CG-CD1 4.38Å; E161-L165 HydrophobicContact CG-CG 4.44Å; E161-L165 WeakPolarHBondContact O-CB 3.48Å; E161-L165 VanDerWaalsContact O-CG 3.29Å; E161-L165 WeakPolarHBondContact O-CG 3.49Å; E161-L165 PolarHBondContact O-N 2.74Å; L165-E167 VanDerWaalsContact C-N 3.31Å; L165-E167 PolarHBondContact O-N 3.01Å; L165-V168 WeakPolarHBondContact O-CB 3.43Å; L165-V168 PolarHBondContact O-N 2.87Å; L165-L169 WeakPolarHBondContact O-CG 3.43Å; L165-L169 PolarHBondContact O-N 3.06Å; L165-L182 HydrophobicContact CB-CD2 4.38Å; L165-L182 HydrophobicContact CD2-CD1 4.12Å; L165-L182 HydrophobicContact CD2-CD2 4.25Å; L165-L182 HydrophobicContact CD2-CG 3.95Å; L165-L183 HydrophobicContact CD1-CD2 3.88Å; L165-R186 HydrophobicContact CD2-CB 3.86Å; L165-R186 HydrophobicContact CD2-CG 3.76Å
166G96.8Very high95.6Very high26 Ų2630.5 Ų30.527%0.26819%0.193SC..Hα-helixtrans-60.2-39.2173.300000113C162 E163 I164 L169 A170C162-G166 PolarHBondContact O-N 3.25Å; E163-G166 PolarHBondContact O-N 3.28Å; I164-G166 VanDerWaalsContact C-N 3.28Å; I164-G166 PolarHBondContact O-N 3.34Å; G166-L169 PolarHBondContact O-N 2.93Å; G166-A170 WeakPolarHBondContact O-CB 3.29Å; G166-A170 PolarHBondContact O-N 2.98Å
167E96.9Very high95.4Very high87 Ų8731.1 Ų31.141%0.40720%0.196SC..Hα-helixtrans-65-42.3174.4-175.663.8-150.100111.5E163 I164 L165 L169 A170 Q171 V192E163-E167 PolarHBondContact O-N 3.23Å; I164-E167 WeakPolarHBondContact O-CB 3.42Å; I164-E167 PolarHBondContact O-N 2.92Å; I164-E167 VanDerWaalsContact O-N 3.14Å; L165-E167 VanDerWaalsContact C-N 3.31Å; L165-E167 PolarHBondContact O-N 3.01Å; E167-L169 VanDerWaalsContact C-N 3.35Å; E167-L169 PolarHBondContact O-N 3.45Å; E167-A170 PolarHBondContact O-N 3.21Å; E167-Q171 WeakPolarHBondContact O-CG 3.33Å; E167-Q171 PolarHBondContact O-N 3Å; E167-Q171 PolarHBondContact OE1-NE2 2.84Å; E167-V192 HydrophobicContact CG-CG1 4.17Å
168V96.9Very high95.2Very high0 Ų034.3 Ų34.30%022%0.217CC..Hα-helixtrans-57.1-48.2173.3172.20000110.6I164 L165 A170 Q171 L172 L182 V192 C195 V196 L199I164-V168 WeakPolarHBondContact O-CG2 3.27Å; I164-V168 PolarHBondContact O-N 3.25Å; L165-V168 WeakPolarHBondContact O-CB 3.43Å; L165-V168 PolarHBondContact O-N 2.87Å; V168-A170 VanDerWaalsContact C-N 3.34Å; V168-A170 PolarHBondContact O-N 3.5Å; V168-Q171 PolarHBondContact O-N 2.78Å; V168-L172 VanDerWaalsContact O-CB 3.23Å; V168-L172 WeakPolarHBondContact O-CB 3.33Å; V168-L172 PolarHBondContact O-N 3.39Å; V168-L182 HydrophobicContact CB-CD1 4.49Å; V168-L182 HydrophobicContact CG1-CD1 3.89Å; V168-V192 HydrophobicContact CG2-CG1 3.88Å; V168-C195 HydrophobicContact CG2-CB 4.29Å; V168-V196 HydrophobicContact CB-CG2 4.34Å; V168-V196 HydrophobicContact CG1-CG2 3.93Å; V168-L199 HydrophobicContact CG1-CD1 3.73Å
169L96.6Very high95.1Very high7 Ų734.5 Ų34.54%0.03722%0.219CC..Hα-helixtrans-62.9-40.1178.2-62.7-174.8000112.4L67 A68 L71 L165 G166 E167 L172 G173 L177 L182L67-L169 HydrophobicContact CB-CD1 3.69Å; A68-L169 HydrophobicContact CB-CD1 4.38Å; L71-L169 HydrophobicContact CD1-CD1 3.58Å; L71-L169 HydrophobicContact CD1-CG 4.38Å; L165-L169 WeakPolarHBondContact O-CG 3.43Å; L165-L169 PolarHBondContact O-N 3.06Å; G166-L169 PolarHBondContact O-N 2.93Å; E167-L169 VanDerWaalsContact C-N 3.35Å; E167-L169 PolarHBondContact O-N 3.45Å; L169-L172 PolarHBondContact O-N 3.44Å; L169-G173 PolarHBondContact O-N 3.45Å; L169-L177 HydrophobicContact CD2-CD2 3.53Å; L169-L182 HydrophobicContact CD2-CD1 4Å; L169-L182 HydrophobicContact CD2-CD2 4.04Å; L169-L182 HydrophobicContact CG-CD2 4.4Å
170A96.4Very high94.9Very high70 Ų7037 Ų3758%0.57923%0.232SC*.Hα-helixtrans-63.7-42.8178.500000111.8G166 E167 V168 G173G166-A170 WeakPolarHBondContact O-CB 3.29Å; G166-A170 PolarHBondContact O-N 2.98Å; E167-A170 PolarHBondContact O-N 3.21Å; V168-A170 VanDerWaalsContact C-N 3.34Å; V168-A170 PolarHBondContact O-N 3.5Å; A170-G173 PolarHBondContact O-N 2.92Å
171Q96.1Very high94.8Very high91 Ų9138.6 Ų38.643%0.42524%0.239SC..Hα-helixtrans-72.8-33176.9-69.3-176.328.600112.9E167 V168 G173 V196E167-Q171 WeakPolarHBondContact O-CG 3.33Å; E167-Q171 PolarHBondContact O-N 3Å; E167-Q171 PolarHBondContact OE1-NE2 2.84Å; V168-Q171 PolarHBondContact O-N 2.78Å; Q171-G173 PolarHBondContact O-N 3.46Å; Q171-V196 HydrophobicContact CB-CG1 4.32Å; Q171-V196 HydrophobicContact CB-CG2 3.78Å
172L94.6Very high94.7Very high22 Ų2238.6 Ų38.612%0.11524%0.239CC..Hα-helixtrans-67.3-28.5173.8-172.762.7000111.8V168 L169 T174 L177 L199 Q200 L203V168-L172 VanDerWaalsContact O-CB 3.23Å; V168-L172 WeakPolarHBondContact O-CB 3.33Å; V168-L172 PolarHBondContact O-N 3.39Å; L169-L172 PolarHBondContact O-N 3.44Å; L172-T174 VanDerWaalsContact C-N 3.26Å; L172-T174 HydrophobicContact CD2-CG2 3.77Å; L172-T174 HydrophobicContact CG-CG2 3.8Å; L172-T174 PolarHBondContact O-N 3Å; L172-L177 HydrophobicContact CD2-CD1 4.32Å; L172-L177 HydrophobicContact CD2-CD2 4.45Å; L172-L199 HydrophobicContact CD1-CB 4.01Å; L172-L199 HydrophobicContact CD2-CB 4.12Å; L172-L199 HydrophobicContact CD2-CD1 4.18Å; L172-Q200 HydrophobicContact CD1-CB 4.46Å; L172-Q200 HydrophobicContact CD1-CG 3.48Å; L172-Q200 VanDerWaalsContact CD1-CG 3.48Å; L172-L203 HydrophobicContact CD1-CD1 4.08Å; L172-L203 HydrophobicContact CD2-CD1 4.13Å; L172-L203 HydrophobicContact CG-CD1 4.33Å
173G93.6Very high94.6Very high70 Ų7038.8 Ų38.872%0.72224%0.24SC*.THydrogen-bonded Turntrans79.64-179.400000114.2L169 A170 Q171L169-G173 PolarHBondContact O-N 3.45Å; A170-G173 PolarHBondContact O-N 2.92Å; Q171-G173 PolarHBondContact O-N 3.46Å
174T92.3Very high94.4Very high45 Ų4541.3 Ų41.328%0.27625%0.252SS..  trans-136.4145.9172.5179.80000110.6L172 V176 L203L172-T174 VanDerWaalsContact C-N 3.26Å; L172-T174 HydrophobicContact CD2-CG2 3.77Å; L172-T174 HydrophobicContact CG-CG2 3.8Å; L172-T174 PolarHBondContact O-N 3Å; T174-V176 PolarHBondContact OG1-N 2.91Å; T174-V176 VanDerWaalsContact OG1-N 3.14Å; T174-L203 HydrophobicContact CG2-CD1 4.05Å
175S91.9Very high94.2Very high27 Ų2741.3 Ų41.319%0.18925%0.252CS..  trans-115.84.9172.3610000112.8D66 L67D66-S175 WeakPolarHBondContact OD1-CB 3.37Å; D66-S175 PolarHBondContact OD1-OG 3.22Å; L67-S175 PolarHBondContact N-O 3.1Å
176V91.8Very high94.1Very high101 Ų10141.4 Ų41.461%0.61225%0.252SS*.  trans-102.588.4178.8-174.20000108T174T174-V176 PolarHBondContact OG1-N 2.91Å; T174-V176 VanDerWaalsContact OG1-N 3.14Å
177L92.3Very high93.7Very high15 Ų1546.5 Ų46.58%0.07926%0.263CS..SBendtrans-152.6160.2173.965.9157.7000109.5L67 L169 L172 A179 L182 L199L67-L177 HydrophobicContact CD1-CD2 3.94Å; L67-L177 HydrophobicContact CD1-CG 3.94Å; L67-L177 WeakPolarHBondContact CD1-O 3.4Å; L169-L177 HydrophobicContact CD2-CD2 3.53Å; L172-L177 HydrophobicContact CD2-CD1 4.32Å; L172-L177 HydrophobicContact CD2-CD2 4.45Å; L177-A179 PolarHBondContact O-N 2.82Å; L177-L182 HydrophobicContact CD1-CB 4.1Å; L177-L199 HydrophobicContact CD1-CD1 4.43Å; L177-L199 HydrophobicContact CD1-CD2 3.96Å
178P92Very high93.3Very high66 Ų6645.9 Ų45.943%0.42927%0.273SS..  trans-60.7135.4174.9-19.832.2000111.4E180 E181 L182P178-E180 PolarHBondContact O-N 3.39Å; P178-E181 HydrophobicContact CB-CB 4.46Å; P178-E181 HydrophobicContact CB-CG 4.07Å; P178-E181 HydrophobicContact CG-CG 4.24Å; P178-E181 PolarHBondContact O-N 3.18Å; P178-L182 PolarHBondContact O-N 3.38Å
179A93.6Very high92.9Very high5 Ų546.5 Ų46.54%0.04128%0.277CS..Hα-helixtrans-61.7-35.4-179.400000112.1L61 L67 L177 E181 L182 L183L61-A179 HydrophobicContact CB-CB 3.53Å; L61-A179 HydrophobicContact CD1-CB 4.42Å; L67-A179 HydrophobicContact CD2-CB 4.09Å; L177-A179 PolarHBondContact O-N 2.82Å; A179-E181 VanDerWaalsContact C-N 3.3Å; A179-E181 PolarHBondContact O-N 3.18Å; A179-L182 PolarHBondContact O-N 3.35Å; A179-L183 WeakPolarHBondContact O-CG 3.47Å; A179-L183 PolarHBondContact O-N 2.73Å
180E92.9Very high92.1Very high80 Ų8048.3 Ų48.337%0.37430%0.297SS..Hα-helixtrans-61.6-40.3179.1-64.670.3-155.500111.1W62 P178 L183 Q184W62-E180 VanDerWaalsContact CE3-OE1 3.28Å; W62-E180 VanDerWaalsContact CZ3-OE1 3.28Å; W62-E180 WeakPolarHBondContact CZ3-OE1 3.45Å; P178-E180 PolarHBondContact O-N 3.39Å; E180-L183 PolarHBondContact O-N 3.35Å; E180-Q184 WeakPolarHBondContact O-CB 3.3Å; E180-Q184 PolarHBondContact O-N 3.36Å
181E92.8Very high91.8Very high32 Ų3247.7 Ų47.715%0.1528%0.284CS..Hα-helixtrans-69.1-41.3178.9-66.4-166153.300111.6P178 A179 Q184 A185 R202P178-E181 HydrophobicContact CB-CB 4.46Å; P178-E181 HydrophobicContact CB-CG 4.07Å; P178-E181 HydrophobicContact CG-CG 4.24Å; P178-E181 PolarHBondContact O-N 3.18Å; A179-E181 VanDerWaalsContact C-N 3.3Å; A179-E181 PolarHBondContact O-N 3.18Å; E181-Q184 PolarHBondContact O-N 3.34Å; E181-A185 WeakPolarHBondContact O-CB 3.4Å; E181-A185 PolarHBondContact O-N 3.16Å; E181-R202 IonicContact OE1-CZ 3.87Å; E181-R202 IonicContact OE1-NH1 3.57Å; E181-R202 PolarHBondContact OE1-NH1 3.29Å; E181-R202 IonicContact OE1-NH2 3.73Å
182L95Very high91.6Very high0 Ų044.3 Ų44.30%027%0.27CS..Hα-helixtrans-59.5-48.8174.8178.563.8000111.2L67 L165 V168 L169 L177 P178 A179 R186 L199L67-L182 HydrophobicContact CD1-CB 4.3Å; L67-L182 HydrophobicContact CD1-CD2 3.77Å; L165-L182 HydrophobicContact CB-CD2 4.38Å; L165-L182 HydrophobicContact CD2-CD1 4.12Å; L165-L182 HydrophobicContact CD2-CD2 4.25Å; L165-L182 HydrophobicContact CD2-CG 3.95Å; V168-L182 HydrophobicContact CB-CD1 4.49Å; V168-L182 HydrophobicContact CG1-CD1 3.89Å; L169-L182 HydrophobicContact CD2-CD1 4Å; L169-L182 HydrophobicContact CD2-CD2 4.04Å; L169-L182 HydrophobicContact CG-CD2 4.4Å; L177-L182 HydrophobicContact CD1-CB 4.1Å; P178-L182 PolarHBondContact O-N 3.38Å; A179-L182 PolarHBondContact O-N 3.35Å; L182-R186 VanDerWaalsContact O-CB 3.23Å; L182-R186 WeakPolarHBondContact O-CB 3.31Å; L182-R186 PolarHBondContact O-N 3.17Å; L182-L199 HydrophobicContact CD1-CD1 3.93Å
183L93.8Very high91.6Very high8 Ų846 Ų464%0.04229%0.287CS..Hα-helixtrans-68.7-37-179.1-67.2176.6000112L54 L57 L61 L165 A179 E180 R186 R187L54-L183 HydrophobicContact CD1-CD1 4.42Å; L57-L183 HydrophobicContact CB-CD1 4.23Å; L57-L183 HydrophobicContact CB-CD2 4.14Å; L57-L183 HydrophobicContact CD1-CD2 4.28Å; L61-L183 HydrophobicContact CD1-CD1 4.47Å; L61-L183 HydrophobicContact CD1-CD2 4.42Å; L61-L183 HydrophobicContact CD1-CG 4.48Å; L165-L183 HydrophobicContact CD1-CD2 3.88Å; A179-L183 WeakPolarHBondContact O-CG 3.47Å; A179-L183 PolarHBondContact O-N 2.73Å; E180-L183 PolarHBondContact O-N 3.35Å; L183-R186 PolarHBondContact O-N 3.49Å; L183-R187 WeakPolarHBondContact O-CB 3.41Å; L183-R187 PolarHBondContact O-N 2.85Å
184Q92.7Very high91.6Very high116 Ų11645.4 Ų45.454%0.54227%0.272SS..Hα-helixtrans-66.7-46.7175.4-177.2177.5-4.400111.5E180 E181 R186 R187 A188E180-Q184 WeakPolarHBondContact O-CB 3.3Å; E180-Q184 PolarHBondContact O-N 3.36Å; E181-Q184 PolarHBondContact O-N 3.34Å; Q184-R186 VanDerWaalsContact C-N 3.28Å; Q184-R186 PolarHBondContact O-N 3.24Å; Q184-R187 PolarHBondContact O-N 2.94Å; Q184-A188 WeakPolarHBondContact O-CB 3.5Å; Q184-A188 PolarHBondContact O-N 2.84Å
185A93.3Very high91.7Very high0 Ų043.3 Ų43.30%026%0.259CS..Hα-helixtrans-57.6-45.7175.500000110.6E181 R187 A188 S189 W198 L199E181-A185 WeakPolarHBondContact O-CB 3.4Å; E181-A185 PolarHBondContact O-N 3.16Å; A185-R187 VanDerWaalsContact C-N 3.34Å; A185-R187 PolarHBondContact O-N 2.87Å; A185-A188 PolarHBondContact O-N 3.16Å; A185-S189 VanDerWaalsContact O-CB 3.23Å; A185-S189 WeakPolarHBondContact O-CB 3.35Å; A185-S189 PolarHBondContact O-N 2.93Å; A185-S189 PolarHBondContact O-OG 2.64Å; A185-W198 HydrophobicContact CB-CD2 4.11Å; A185-W198 HydrophobicContact CB-CE3 3.34Å; A185-W198 HydrophobicContact CB-CZ3 3.61Å; A185-L199 HydrophobicContact CB-CD1 4.06Å; A185-L199 HydrophobicContact CB-CD2 3.66Å; A185-L199 HydrophobicContact CB-CG 3.65Å
186R93.2Very high91.8Very high2 Ų242.4 Ų42.41%0.00825%0.252CS..Hα-helixtrans-61.5-41.2178.9177.658.9-174.5107.32.7112.6L39 V40 F43 E161 L165 L182 L183 Q184 S189L39-R186 PolarHBondContact O-NH2 3.22Å; V40-R186 PolarHBondContact O-NH1 2.99Å; F43-R186 HydrophobicContact CD2-CG 3.7Å; F43-R186 HydrophobicContact CE2-CG 3.84Å; E161-R186 WeakPolarHBondContact OE1-CG 3.46Å; E161-R186 IonicContact OE1-CZ 2.82Å; E161-R186 IonicContact OE1-NE 3.45Å; E161-R186 PolarHBondContact OE1-NE 3.18Å; E161-R186 IonicContact OE1-NH2 3.87Å; E161-R186 PolarHBondContact OE1-NH2 2.93Å; E161-R186 IonicContact OE2-NH2 3.01Å; E161-R186 PolarHBondContact OE2-NH2 2.93Å; L165-R186 HydrophobicContact CD2-CB 3.86Å; L165-R186 HydrophobicContact CD2-CG 3.76Å; L182-R186 VanDerWaalsContact O-CB 3.23Å; L182-R186 WeakPolarHBondContact O-CB 3.31Å; L182-R186 PolarHBondContact O-N 3.17Å; L183-R186 PolarHBondContact O-N 3.49Å; Q184-R186 VanDerWaalsContact C-N 3.28Å; Q184-R186 PolarHBondContact O-N 3.24Å; R186-S189 PolarHBondContact NH1-O 3.45Å; R186-S189 VanDerWaalsContact O-O 3.11Å
187R89.8Confident92Very high132 Ų13240.1 Ų40.150%0.49824%0.244SC..Hα-helixtrans-70.9-33.8177.2-172.9175.3-169.5137.315.2112.8F43 D44 L183 Q184 A185 S189F43-R187 HydrophobicContact CD1-CB 4.2Å; F43-R187 HydrophobicContact CD1-CG 4.06Å; F43-R187 HydrophobicContact CE1-CB 4.45Å; D44-R187 IonicContact OD1-CZ 2.83Å; D44-R187 IonicContact OD1-NE 3.56Å; D44-R187 IonicContact OD1-NH2 3.82Å; D44-R187 PolarHBondContact OD1-NH2 3.19Å; L183-R187 WeakPolarHBondContact O-CB 3.41Å; L183-R187 PolarHBondContact O-N 2.85Å; Q184-R187 PolarHBondContact O-N 2.94Å; A185-R187 VanDerWaalsContact C-N 3.34Å; A185-R187 PolarHBondContact O-N 2.87Å; R187-S189 VanDerWaalsContact C-N 3.31Å
188A87.9Confident92.1Very high74 Ų7442.9 Ų42.961%0.61225%0.253SS*.Hα-helixtrans-80.1-13.9-18000000113.3Q184 A185Q184-A188 WeakPolarHBondContact O-CB 3.5Å; Q184-A188 PolarHBondContact O-N 2.84Å; A185-A188 PolarHBondContact O-N 3.16Å
189S87.8Confident92.2Very high14 Ų1439.8 Ų39.810%0.09823%0.233CC..  trans-110136-173.4-55.10000111.6A185 R186 R187 D191 C195A185-S189 VanDerWaalsContact O-CB 3.23Å; A185-S189 WeakPolarHBondContact O-CB 3.35Å; A185-S189 PolarHBondContact O-N 2.93Å; A185-S189 PolarHBondContact O-OG 2.64Å; R186-S189 PolarHBondContact NH1-O 3.45Å; R186-S189 VanDerWaalsContact O-O 3.11Å; R187-S189 VanDerWaalsContact C-N 3.31Å; S189-D191 VanDerWaalsContact C-N 3.34Å; S189-C195 VanDerWaalsContact OG-CA 3.25Å; S189-C195 WeakPolarHBondContact OG-CA 3.25Å; S189-C195 PolarHBondContact OG-N 3.43Å
190G81Confident92.2Very high44 Ų4444 Ų4445%0.45425%0.252SS..SBendtrans-83.4-6.5177.700000114.6V40 E41V40-G190 CarbonylContact C-O 3.58Å; V40-G190 CarbonylContact O-C 3.39Å; E41-G190 WeakPolarHBondContact CA-O 3.41Å
191D90Very high92.2Very high58 Ų5845.9 Ų45.931%0.3126%0.261SS..SBendtrans-156.1169.9177.871.689.8000111.8V40 S189 A193 S194 C195V40-D191 HydrophobicContact CG1-CB 4.12Å; S189-D191 VanDerWaalsContact C-N 3.34Å; D191-A193 WeakPolarHBondContact OD1-CA 3.38Å; D191-A193 WeakPolarHBondContact OD1-CB 3.4Å; D191-A193 PolarHBondContact OD1-N 3.41Å; D191-S194 PolarHBondContact OD1-N 2.87Å; D191-S194 WeakPolarHBondContact OD2-CB 3.03Å; D191-S194 PolarHBondContact OD2-OG 3.23Å; D191-C195 WeakPolarHBondContact O-CB 3.42Å; D191-C195 PolarHBondContact O-N 2.95Å; D191-C195 VanDerWaalsContact O-N 3.08Å
192V92Very high92Very high19 Ų1947.6 Ų47.612%0.11527%0.266CS..Hα-helixtrans-63.1-44-178.3174.80000111.9V40 I164 E167 V168 C195 V196V40-V192 HydrophobicContact CG1-CG2 4.41Å; V40-V192 HydrophobicContact CG2-CG2 4.31Å; I164-V192 HydrophobicContact CG2-CG2 4.02Å; E167-V192 HydrophobicContact CG-CG1 4.17Å; V168-V192 HydrophobicContact CG2-CG1 3.88Å; V192-C195 WeakPolarHBondContact O-CB 3.49Å; V192-C195 PolarHBondContact O-N 2.94Å; V192-V196 HydrophobicContact CG1-CG2 4.45Å; V192-V196 VanDerWaalsContact O-CG2 3.29Å; V192-V196 WeakPolarHBondContact O-CG2 3.33Å; V192-V196 PolarHBondContact O-N 3.01Å
193A93.3Very high91.6Very high58 Ų5850.3 Ų50.348%0.47928%0.28SS..Hα-helixtrans-69.2-40.4-176.400000111.3D191 C195 V196 A197D191-A193 WeakPolarHBondContact OD1-CA 3.38Å; D191-A193 WeakPolarHBondContact OD1-CB 3.4Å; D191-A193 PolarHBondContact OD1-N 3.41Å; A193-C195 VanDerWaalsContact C-N 3.32Å; A193-C195 PolarHBondContact O-N 3.45Å; A193-V196 PolarHBondContact O-N 2.84Å; A193-A197 WeakPolarHBondContact O-CB 3.4Å; A193-A197 PolarHBondContact O-N 3.39Å
194S93.5Very high91.2Very high58 Ų5852.8 Ų52.841%0.40630%0.301SS..Hα-helixtrans-61-40.7172.7-66.20000112.1D191 A197 W198D191-S194 PolarHBondContact OD1-N 2.87Å; D191-S194 WeakPolarHBondContact OD2-CB 3.03Å; D191-S194 PolarHBondContact OD2-OG 3.23Å; S194-A197 PolarHBondContact O-N 3.21Å; S194-W198 WeakPolarHBondContact O-CB 3.45Å; S194-W198 PolarHBondContact O-N 2.82Å
195C94.3Very high90.6Very high0 Ų052.4 Ų52.40%030%0.3CS..Hα-helixtrans-62-47.2175.7-173.10000111.8V168 S189 D191 V192 A193 W198 L199V168-C195 HydrophobicContact CG2-CB 4.29Å; S189-C195 VanDerWaalsContact OG-CA 3.25Å; S189-C195 WeakPolarHBondContact OG-CA 3.25Å; S189-C195 PolarHBondContact OG-N 3.43Å; D191-C195 WeakPolarHBondContact O-CB 3.42Å; D191-C195 PolarHBondContact O-N 2.95Å; D191-C195 VanDerWaalsContact O-N 3.08Å; V192-C195 WeakPolarHBondContact O-CB 3.49Å; V192-C195 PolarHBondContact O-N 2.94Å; A193-C195 VanDerWaalsContact C-N 3.32Å; A193-C195 PolarHBondContact O-N 3.45Å; C195-W198 PolarHBondContact O-N 2.76Å; C195-L199 WeakPolarHBondContact O-CG 3.42Å; C195-L199 PolarHBondContact O-N 3.2Å
196V95.9Very high89.4Confident8 Ų857.4 Ų57.45%0.04833%0.327CS..Hα-helixtrans-61-46.7176.8173.10000110.7V168 Q171 V192 A193 W198 L199 Q200V168-V196 HydrophobicContact CB-CG2 4.34Å; V168-V196 HydrophobicContact CG1-CG2 3.93Å; Q171-V196 HydrophobicContact CB-CG1 4.32Å; Q171-V196 HydrophobicContact CB-CG2 3.78Å; V192-V196 HydrophobicContact CG1-CG2 4.45Å; V192-V196 VanDerWaalsContact O-CG2 3.29Å; V192-V196 WeakPolarHBondContact O-CG2 3.33Å; V192-V196 PolarHBondContact O-N 3.01Å; A193-V196 PolarHBondContact O-N 2.84Å; V196-W198 VanDerWaalsContact C-N 3.32Å; V196-W198 PolarHBondContact O-N 3.28Å; V196-L199 PolarHBondContact O-N 3.47Å; V196-Q200 HydrophobicContact CG1-CG 4.21Å; V196-Q200 WeakPolarHBondContact O-CB 3.49Å; V196-Q200 VanDerWaalsContact O-CG 3.27Å; V196-Q200 WeakPolarHBondContact O-CG 3.3Å; V196-Q200 PolarHBondContact O-N 3.38Å
197A94.8Very high87.9Confident53 Ų5365.7 Ų65.744%0.43837%0.365SS..Hα-helixtrans-61.2-41179.100000112.2A193 S194 Q200 Q201A193-A197 WeakPolarHBondContact O-CB 3.4Å; A193-A197 PolarHBondContact O-N 3.39Å; S194-A197 PolarHBondContact O-N 3.21Å; A197-Q200 PolarHBondContact O-N 3.45Å; A197-Q201 WeakPolarHBondContact O-CB 3.4Å; A197-Q201 PolarHBondContact O-N 2.94Å
198W94.1Very high85.9Confident73 Ų7366.6 Ų66.628%0.27738%0.375SS..Hα-helixtrans-62-46.1175.7-17296.5000111.8A185 S194 C195 V196 Q201 R202A185-W198 HydrophobicContact CB-CD2 4.11Å; A185-W198 HydrophobicContact CB-CE3 3.34Å; A185-W198 HydrophobicContact CB-CZ3 3.61Å; S194-W198 WeakPolarHBondContact O-CB 3.45Å; S194-W198 PolarHBondContact O-N 2.82Å; C195-W198 PolarHBondContact O-N 2.76Å; V196-W198 VanDerWaalsContact C-N 3.32Å; V196-W198 PolarHBondContact O-N 3.28Å; W198-Q201 PolarHBondContact O-N 3.15Å; W198-R202 HydrophobicContact CD2-CG 4.3Å; W198-R202 HydrophobicContact CE3-CG 4.04Å; W198-R202 HydrophobicContact CH2-CG 3.97Å; W198-R202 HydrophobicContact CZ2-CG 4.18Å; W198-R202 HydrophobicContact CZ3-CG 3.88Å; W198-R202 PolarHBondContact O-N 3.46Å; W198-R202 VanDerWaalsContact O-N 3.09Å
199L94.8Very high84.2Confident1 Ų167.9 Ų67.91%0.00538%0.378CS..Hα-helixtrans-65.7-42.4178.2-73.1168.1000111.9V168 L172 L177 L182 A185 C195 V196 Q201 R202 L203V168-L199 HydrophobicContact CG1-CD1 3.73Å; L172-L199 HydrophobicContact CD1-CB 4.01Å; L172-L199 HydrophobicContact CD2-CB 4.12Å; L172-L199 HydrophobicContact CD2-CD1 4.18Å; L177-L199 HydrophobicContact CD1-CD1 4.43Å; L177-L199 HydrophobicContact CD1-CD2 3.96Å; L182-L199 HydrophobicContact CD1-CD1 3.93Å; A185-L199 HydrophobicContact CB-CD1 4.06Å; A185-L199 HydrophobicContact CB-CD2 3.66Å; A185-L199 HydrophobicContact CB-CG 3.65Å; C195-L199 WeakPolarHBondContact O-CG 3.42Å; C195-L199 PolarHBondContact O-N 3.2Å; V196-L199 PolarHBondContact O-N 3.47Å; L199-Q201 VanDerWaalsContact C-N 3.32Å; L199-Q201 PolarHBondContact O-N 2.75Å; L199-R202 PolarHBondContact O-N 3.37Å; L199-L203 WeakPolarHBondContact O-CG 3.34Å; L199-L203 PolarHBondContact O-N 3.19Å
200Q93.9Very high83.2Confident95 Ų9572.4 Ų72.444%0.44441%0.406SS..Hα-helixtrans-59.1-43.9175.5-75.1174-16.100111.7L172 V196 A197 R202 L203 A204L172-Q200 HydrophobicContact CD1-CB 4.46Å; L172-Q200 HydrophobicContact CD1-CG 3.48Å; L172-Q200 VanDerWaalsContact CD1-CG 3.48Å; V196-Q200 HydrophobicContact CG1-CG 4.21Å; V196-Q200 WeakPolarHBondContact O-CB 3.49Å; V196-Q200 VanDerWaalsContact O-CG 3.27Å; V196-Q200 WeakPolarHBondContact O-CG 3.3Å; V196-Q200 PolarHBondContact O-N 3.38Å; A197-Q200 PolarHBondContact O-N 3.45Å; Q200-R202 VanDerWaalsContact C-N 3.33Å; Q200-R202 PolarHBondContact O-N 3.16Å; Q200-L203 PolarHBondContact O-N 3.23Å; Q200-A204 WeakPolarHBondContact O-CB 3.02Å; Q200-A204 PolarHBondContact O-N 3.49Å
201Q91.6Very high82.6Confident118 Ų11876.2 Ų76.255%0.55142%0.423SS*.Hα-helixtrans-63-40.3177.3-174.9178.94.700111.8A197 W198 L199 Q205A197-Q201 WeakPolarHBondContact O-CB 3.4Å; A197-Q201 PolarHBondContact O-N 2.94Å; W198-Q201 PolarHBondContact O-N 3.15Å; L199-Q201 VanDerWaalsContact C-N 3.32Å; L199-Q201 PolarHBondContact O-N 2.75Å; Q201-Q205 WeakPolarHBondContact O-CG 3.15Å; Q201-Q205 PolarHBondContact O-N 3.42Å
202R88.5Confident81.4Confident69 Ų6981 Ų8126%0.2645%0.448SS..Hα-helixtrans-67.4-46.2177.3-75.3-137.166.4-147.5-11.5112.7E181 W198 L199 Q200 A204 Q205 D206E181-R202 IonicContact OE1-CZ 3.87Å; E181-R202 IonicContact OE1-NH1 3.57Å; E181-R202 PolarHBondContact OE1-NH1 3.29Å; E181-R202 IonicContact OE1-NH2 3.73Å; W198-R202 HydrophobicContact CD2-CG 4.3Å; W198-R202 HydrophobicContact CE3-CG 4.04Å; W198-R202 HydrophobicContact CH2-CG 3.97Å; W198-R202 HydrophobicContact CZ2-CG 4.18Å; W198-R202 HydrophobicContact CZ3-CG 3.88Å; W198-R202 PolarHBondContact O-N 3.46Å; W198-R202 VanDerWaalsContact O-N 3.09Å; L199-R202 PolarHBondContact O-N 3.37Å; Q200-R202 VanDerWaalsContact C-N 3.33Å; Q200-R202 PolarHBondContact O-N 3.16Å; R202-A204 VanDerWaalsContact C-N 3.26Å; R202-A204 PolarHBondContact O-N 3Å; R202-Q205 WeakPolarHBondContact O-CB 3.47Å; R202-Q205 PolarHBondContact O-N 3.01Å; R202-D206 IonicContact NH2-OD2 2.74Å; R202-D206 PolarHBondContact O-N 2.98Å; R202-D206 VanDerWaalsContact O-N 3.07Å
203L87.1Confident80.2Confident57 Ų5785.2 Ų85.230%0.29848%0.476SS..Hα-helixtrans-60.5-37.8176.6-69.3174.4000111.8L172 T174 L199 Q200 Q205 D206 E207L172-L203 HydrophobicContact CD1-CD1 4.08Å; L172-L203 HydrophobicContact CD2-CD1 4.13Å; L172-L203 HydrophobicContact CG-CD1 4.33Å; T174-L203 HydrophobicContact CG2-CD1 4.05Å; L199-L203 WeakPolarHBondContact O-CG 3.34Å; L199-L203 PolarHBondContact O-N 3.19Å; Q200-L203 PolarHBondContact O-N 3.23Å; L203-Q205 VanDerWaalsContact C-N 3.31Å; L203-Q205 PolarHBondContact O-N 2.85Å; L203-D206 PolarHBondContact O-N 2.99Å; L203-E207 PolarHBondContact O-N 3.05Å; L203-E207 VanDerWaalsContact O-N 3.16Å
204A86.3Confident78.8Confident59 Ų5988.5 Ų88.549%0.48849%0.492SS..Hα-helixtrans-66-31.1175.100000113.2Q200 R202Q200-A204 WeakPolarHBondContact O-CB 3.02Å; Q200-A204 PolarHBondContact O-N 3.49Å; R202-A204 VanDerWaalsContact C-N 3.26Å; R202-A204 PolarHBondContact O-N 3Å
205Q80.4Confident76.9Confident108 Ų10897.6 Ų97.651%0.50552%0.518SS..Hα-helixtrans-75.5-35.3176.5-73.5173.96.600112.7Q201 R202 L203 E207 E208Q201-Q205 WeakPolarHBondContact O-CG 3.15Å; Q201-Q205 PolarHBondContact O-N 3.42Å; R202-Q205 WeakPolarHBondContact O-CB 3.47Å; R202-Q205 PolarHBondContact O-N 3.01Å; L203-Q205 VanDerWaalsContact C-N 3.31Å; L203-Q205 PolarHBondContact O-N 2.85Å; Q205-E207 VanDerWaalsContact C-N 3.33Å; Q205-E208 PolarHBondContact O-N 3.16Å
206D67.4Low74.6Confident106 Ų106100.6 Ų100.657%0.56755%0.549SS*.Hα-helixtrans-75.5-23.3177.9-73.1-22.2000112.4R202 L203 E208R202-D206 IonicContact NH2-OD2 2.74Å; R202-D206 PolarHBondContact O-N 2.98Å; R202-D206 VanDerWaalsContact O-N 3.07Å; L203-D206 PolarHBondContact O-N 2.99Å; D206-E208 VanDerWaalsContact C-N 3.34Å
207E61.1Low72.2Confident175 Ų175105.4 Ų105.482%0.81858%0.582SS**SBendtrans-76.9-16.3169.9-75.7-121.4119.100113.5L203 Q205 P209L203-E207 PolarHBondContact O-N 3.05Å; L203-E207 VanDerWaalsContact O-N 3.16Å; Q205-E207 VanDerWaalsContact C-N 3.33Å; E207-P209 VanDerWaalsContact O-CD 3.28Å; E207-P209 WeakPolarHBondContact O-CD 3.45Å
208E48Very low69.9Low151 Ų151109.6 Ų109.671%0.70661%0.605SS**SBendtrans-80.3113.2-179.6-163.8161167.800110.2Q205 D206Q205-E208 PolarHBondContact O-N 3.16Å; D206-E208 VanDerWaalsContact C-N 3.34Å
209P52.9Low67.5Low102 Ų102110.5 Ų110.566%0.66263%0.628SS**PPolyproline II helixtrans-62.8144-17824.7-32.2000110E207E207-P209 VanDerWaalsContact O-CD 3.28Å; E207-P209 WeakPolarHBondContact O-CD 3.45Å
210P66.4Low65Low108 Ų108114.9 Ų114.970%0.70167%0.665SS**PPolyproline II helixtrans-53.9139.9179.221-31.6000109.9L212P210-L212 PolarHBondContact O-N 3.48Å
211P68.1Low62.2Low124 Ų124121.3 Ų121.381%0.80569%0.686SS**PPolyproline II helixtrans-55.3119.8-178.220.3-30.8000108.7
212L65.3Low59.9Low159 Ų159127.2 Ų127.283%0.83270%0.704SS**PPolyproline II helixtrans-53131.5174.3-69.6172.1000107.5P210P210-L212 PolarHBondContact O-N 3.48Å
213P67.2Low57.7Low107 Ų107127.3 Ų127.370%0.69572%0.719SS**PPolyproline II helixtrans-53.1142.3179.121.4-31.8000109R215P213-R215 PolarHBondContact O-N 3.06Å
214P63Low55.7Low128 Ų128130.1 Ų130.183%0.83174%0.741SS**PPolyproline II helixtrans-52.9119.9-178.218.4-28.9000108.3G216P214-G216 VanDerWaalsContact C-N 3.32Å; P214-G216 PolarHBondContact O-N 2.88Å
215R54.4Low53.9Low249 Ų249135 Ų13594%0.9476%0.758SS**  trans-57.599-179.3-156.5-177.2-161.5-170.86.3107.1P213 S217P213-R215 PolarHBondContact O-N 3.06Å; R215-S217 PolarHBondContact O-N 2.88Å
216G46.7Very low52.4Low63 Ų63134.9 Ų134.965%0.64976%0.761SS**  trans-52.7138.917500000108.9P214P214-G216 VanDerWaalsContact C-N 3.32Å; P214-G216 PolarHBondContact O-N 2.88Å
217S44.1Very low51.5Low108 Ų108137.3 Ų137.376%0.75577%0.773SS**  trans-46.4147.8177.7-50.70000111.6R215 A219R215-S217 PolarHBondContact O-N 2.88Å; S217-A219 VanDerWaalsContact C-N 3.28Å; S217-A219 PolarHBondContact O-N 3.45Å
218P47.3Very low50.9Low142 Ų142139.3 Ų139.392%0.92277%0.774SS**  trans-73.681.8-174.531.3-33.6000110.2
219A42.5Very low50.9Low91 Ų91141.7 Ų141.775%0.75278%0.777SS**  trans-94.6111.8168.100000108.6S217S217-A219 VanDerWaalsContact C-N 3.28Å; S217-A219 PolarHBondContact O-N 3.45Å
220A42.4Very low50.3Low94 Ų94143.6 Ų143.678%0.77778%0.781SS**  trans50.892.6163.900000116.2R222A220-R222 PolarHBondContact O-N 3.02Å
221Y36.4Very low48.9Very low229 Ų229147.2 Ų147.290%0.89879%0.794SS**  trans-42.9105.2155.1-137.4-101.4000109.9
222R41.9Very low47.6Very low243 Ų243150.4 Ų150.492%0.91780%0.798SS**  trans-103.2112.7157.4-160172.7-170.8162.11.8105.6A220A220-R222 PolarHBondContact O-N 3.02Å
223A42.8Very low46.1Very low70 Ų70152 Ų15258%0.57980%0.801SS**  trans-50.6145.1-174.400000112L225A223-L225 PolarHBondContact O-N 3.22Å
224P46Very low44.4Very low116 Ų116154.2 Ų154.275%0.75381%0.807SS**  trans-62.3127.9167-13.127.6000108.8D226P224-D226 PolarHBondContact O-N 3.24Å; P224-D226 VanDerWaalsContact O-N 3.07Å
225L47.6Very low43.4Very low163 Ų163157.1 Ų157.185%0.85381%0.81SS**  trans-63.7106165.7-82.1153.8000107.8A223 L227A223-L225 PolarHBondContact O-N 3.22Å; L225-L227 PolarHBondContact O-N 3.37Å
226D49.2Very low42.2Very low105 Ų105148.7 Ų148.756%0.56180%0.8SS**  trans-72.2102.7169-176.64.6000108.6P224 Y228P224-D226 PolarHBondContact O-N 3.24Å; P224-D226 VanDerWaalsContact O-N 3.07Å; D226-Y228 VanDerWaalsContact C-N 3.28Å; D226-Y228 PolarHBondContact O-N 2.9Å; D226-Y228 PolarHBondContact OD1-N 3.02Å
227L48.6Very low41.5Very low157 Ų157150.8 Ų150.882%0.82281%0.805SS**THydrogen-bonded Turntrans-85.67.7-176.6-78.6164.9000113.5L225L225-L227 PolarHBondContact O-N 3.37Å
228Y47.4Very low41.1Very low217 Ų217154.4 Ų154.485%0.85181%0.81SS**THydrogen-bonded Turntrans-127.216.5-176.8-87-83.8000114.6D226 D230D226-Y228 VanDerWaalsContact C-N 3.28Å; D226-Y228 PolarHBondContact O-N 2.9Å; D226-Y228 PolarHBondContact OD1-N 3.02Å; Y228-D230 PolarHBondContact O-N 2.91Å
229R48.9Very low40.3Very low201 Ų201155.4 Ų155.476%0.75881%0.808SS**  trans-88.693.8167.3-176.4168.7-96.8152.4-7.6109.2
230D39.8Very low39.9Very low141 Ų141154.9 Ų154.975%0.75480%0.804SS**  trans168.792.5136.2-80.6-19.3000109.8Y228Y228-D230 PolarHBondContact O-N 2.91Å
231L38.2Very low39.5Very low185 Ų185155.3 Ų155.397%0.96980%0.801SS**  trans-159.282.5140.3-79.3-169.1000106.4
232Q39.4Very low39.3Very low191 Ų191151.1 Ų151.189%0.89379%0.793SS**  trans-106.4110.9163.4-173.816529.100107.4
233E33.9Very low39Very low191 Ų191150.1 Ų150.189%0.89379%0.791SS**  trans-179.5124160.5-96164-155.700102.2
234D32.1Very low38.4Very low155 Ų155150 Ų15083%0.82980%0.797SS**  cis-164.2159.933.3-17115.4000108.8
235E41Very low38.1Very low188 Ų188152.7 Ų152.788%0.87980%0.799SS**  trans-63.3153.2-176-67.7-162.110400114.5
236G29.3Very low37.7Very low72 Ų72151 Ų15174%0.74280%0.798SS**  trans167.692.415900000117
237S33Very low37.3Very low108 Ų108150.6 Ų150.676%0.75580%0.803SS**  trans66.7111.8136.4-157.40000120.6
238E34.5Very low36.9Very low183 Ų183149.3 Ų149.386%0.85580%0.804SS**  19.8120.2127.5-45.3-175.8148.400118.2
239D32.2Very low36.3Very low163 Ų163142.2 Ų142.287%0.87280%0.797SS**  -173.7154.8113.1-153.81.2000111.7
240A32.5Very low36Very low81 Ų81138.6 Ų138.667%0.66980%0.8SS**  trans-67.7158.5-17900000115.1
241S34.4Very low35.5Very low102 Ų102139.7 Ų139.771%0.71381%0.806SS**  trans174.3103.7138.3-178.10000108
242L32.1Very low35.5Very low141 Ų141136.4 Ų136.474%0.73880%0.798SS**  53.598.591.5-66.3165.4000112.4
243Y35.9Very low35.2Very low222 Ų222133.3 Ų133.387%0.87180%0.795SS**  176120101.5-102.4-86.2000108.9
244G30.9Very low35Very low68 Ų68129.9 Ų129.970%0.70179%0.792SS**  trans-70.7155.4167.400000111.4
245E38.8Very low34.9Very low172 Ų172127.2 Ų127.280%0.80479%0.791SS**  trans-53.6161.9164.8-66.5-163113.700111.7
246P40.6Very low34.3Very low129 Ų129127 Ų12784%0.83879%0.791SS**  -141148.199.221.1-0.1000115.9
247S40.6Very low34.4Very low95 Ų95130.4 Ų130.466%0.66480%0.796SS**  trans-55.5151.4169.2-40.90000114
248P40.4Very low34.2Very low130 Ų130129.3 Ų129.384%0.84479%0.794SS**  trans-95.5131.3160.95.814.2000111.8
249G35Very low34.1Very low68 Ų68129.7 Ų129.770%0.70179%0.789SS**  trans-77.5-175.2172.800000114.5
250P42Very low34.2Very low126 Ų126131.8 Ų131.882%0.81879%0.785SS**  trans-94.9121.2-157.934.6-28.6000112.1
251D29.7Very low34.3Very low163 Ų163130.1 Ų130.187%0.87277%0.767SS**  trans-133109.3162.2-78-44000108.7
252S36.9Very low34.5Very low116 Ų116128.8 Ų128.881%0.81176%0.756SS**  trans-137.2131.5165.2-72.90000108.3
253P33.5Very low35Very low127 Ų127125.2 Ų125.283%0.82574%0.737SS**  trans-73.7145.7-179.930.2-32.1000110.8A255P253-A255 PolarHBondContact O-N 3.29Å
254S29.5Very low35.3Very low118 Ų118122.4 Ų122.483%0.82573%0.725SS**  trans-45.7123.6178.8-55.90000113.5E256S254-E256 PolarHBondContact O-N 3.27Å
255A31.3Very low35.4Very low99 Ų99124.4 Ų124.482%0.81872%0.716SS**  trans-76.398.1164.700000108.8P253 V257P253-A255 PolarHBondContact O-N 3.29Å; A255-V257 PolarHBondContact O-N 3.44Å
256E27Very low35.2Very low185 Ų185119.8 Ų119.886%0.86470%0.695SS**  trans-53.6129164.3-77.7-175144.400109.7S254 A258S254-E256 PolarHBondContact O-N 3.27Å; E256-A258 VanDerWaalsContact C-N 3.26Å; E256-A258 PolarHBondContact O-N 3.01Å
257V31.7Very low35.1Very low142 Ų142115.4 Ų115.486%0.86167%0.667SS**  trans-64.389.9170.6176.40000107.9A255 Y259A255-V257 PolarHBondContact O-N 3.44Å; V257-Y259 PolarHBondContact O-N 3.01Å
258A28.5Very low34.8Very low86 Ų86115 Ų11571%0.71167%0.67SS**  trans-68.197.9165.500000107.9E256 R260E256-A258 VanDerWaalsContact C-N 3.26Å; E256-A258 PolarHBondContact O-N 3.01Å; A258-R260 PolarHBondContact O-N 3.16Å
259Y32.7Very low34.7Very low191 Ų191116.7 Ų116.775%0.74966%0.663SS**  trans-47109.1166.6174.2-99.4000109.5V257 P261V257-Y259 PolarHBondContact O-N 3.01Å; Y259-P261 HydrophobicContact CE1-CB 4.35Å
260R33.9Very low34.8Very low206 Ų206118 Ų11878%0.77765%0.654SS**PPolyproline II helixtrans-89.3118.6171-93.8-174.9160.3167.2-3.5108.2A258A258-R260 PolarHBondContact O-N 3.16Å
261P34.7Very low34.7Very low46 Ų46118.8 Ų118.830%0.29964%0.641SS.*PPolyproline II helixtrans-65.6151.9177.122.8-28.7000111.6Y259 E265Y259-P261 HydrophobicContact CE1-CB 4.35Å; P261-E265 WeakPolarHBondContact CB-OE2 3.48Å
262P39.1Very low34.7Very low75 Ų75112.9 Ų112.949%0.48762%0.618SS.*PPolyproline II helixtrans-59.3144.9-177.221.2-30.7000112.8W264 E265P262-W264 PolarHBondContact O-N 3.39Å; P262-E265 PolarHBondContact O-N 3.45Å
263L43.3Very low34.5Very low65 Ų65115 Ų11534%0.3463%0.627SS.*G310 helixtrans-65.8-11.5-163.3-159.2140.4000115E265 Q266 S267 L270L263-E265 PolarHBondContact O-N 2.7Å; L263-E265 VanDerWaalsContact O-N 3.16Å; L263-Q266 HydrophobicContact CG-CB 4.22Å; L263-Q266 WeakPolarHBondContact O-CA 3.24Å; L263-Q266 PolarHBondContact O-N 3.04Å; L263-S267 PolarHBondContact O-N 2.95Å; L263-S267 PolarHBondContact O-OG 3.5Å; L263-L270 HydrophobicContact CD2-CD1 4.03Å
264W41.1Very low34.3Very low164 Ų164111.8 Ų111.862%0.62162%0.617SS**G310 helixtrans-61.1-23.5173.780.4-90.6000112.7P262 S267P262-W264 PolarHBondContact O-N 3.39Å; W264-S267 PolarHBondContact O-OG 2.99Å
265E33.8Very low34.3Very low109 Ų109109.7 Ų109.751%0.50961%0.614SS.*G310 helixtrans-79.5-17.1171.6-69.4-178.616600113.1P261 P262 L263P261-E265 WeakPolarHBondContact CB-OE2 3.48Å; P262-E265 PolarHBondContact O-N 3.45Å; L263-E265 PolarHBondContact O-N 2.7Å; L263-E265 VanDerWaalsContact O-N 3.16Å
266Q34.6Very low34.2Very low75 Ų75116.8 Ų116.835%0.3562%0.619SS.*THydrogen-bonded Turntrans-102.9-17.7-176.5-62.5178.430.800113.6L263 A268 K269 L270L263-Q266 HydrophobicContact CG-CB 4.22Å; L263-Q266 WeakPolarHBondContact O-CA 3.24Å; L263-Q266 PolarHBondContact O-N 3.04Å; Q266-A268 PolarHBondContact O-N 3.38Å; Q266-A268 VanDerWaalsContact O-N 3.16Å; Q266-K269 PolarHBondContact O-N 3.15Å; Q266-L270 PolarHBondContact O-N 2.92Å
267S38.7Very low34.3Very low38 Ų38112.3 Ų112.327%0.26661%0.613SS.*Hα-helixtrans-62.2-21.2179.738.30000113.5L263 W264 K269L263-S267 PolarHBondContact O-N 2.95Å; L263-S267 PolarHBondContact O-OG 3.5Å; W264-S267 PolarHBondContact O-OG 2.99Å; S267-K269 VanDerWaalsContact C-N 3.32Å; S267-K269 PolarHBondContact O-N 2.73Å
268A34.1Very low34Very low86 Ų86116.8 Ų116.871%0.71162%0.615SS**Hα-helixtrans-69.6-23.6170.600000114Q266Q266-A268 PolarHBondContact O-N 3.38Å; Q266-A268 VanDerWaalsContact O-N 3.16Å
269K36.9Very low33.9Very low165 Ų165120.9 Ų120.972%0.71762%0.62SS**Hα-helixtrans-89.1-26177.6-70.5179.4-179174.50113Q266 S267 W271 G272Q266-K269 PolarHBondContact O-N 3.15Å; S267-K269 VanDerWaalsContact C-N 3.32Å; S267-K269 PolarHBondContact O-N 2.73Å; K269-W271 VanDerWaalsContact C-N 3.25Å; K269-W271 PolarHBondContact O-N 3.01Å; K269-G272 PolarHBondContact O-N 3.26Å; K269-G272 VanDerWaalsContact O-O 3.12Å
270L38.5Very low33.7Very low95 Ų95116.5 Ų116.550%0.49762%0.615SS.*Hα-helixtrans-72.6-18.9-177.7-78.2161.7000113.5L263 Q266L263-L270 HydrophobicContact CD2-CD1 4.03Å; Q266-L270 PolarHBondContact O-N 2.92Å
271W40.3Very low33.4Very low144 Ų144112.8 Ų112.855%0.54562%0.617SS.*SBendtrans-110.6-2.4174.8-57.4104.4000113.6L80 K269L80-W271 HydrophobicContact CD1-CZ2 4.13Å; K269-W271 VanDerWaalsContact C-N 3.25Å; K269-W271 PolarHBondContact O-N 3.01Å
272G29.2Very low33.1Very low39 Ų39115.3 Ų115.340%0.40264%0.642SS.*SBendtrans-101141.317700000111.5K269 G274K269-G272 PolarHBondContact O-N 3.26Å; K269-G272 VanDerWaalsContact O-O 3.12Å; G272-G274 PolarHBondContact O-N 3.37Å
273T31.5Very low32.6Very low161 Ų161121 Ų12199%0.98866%0.662SS**  trans-63.776.7163.636.10000110
274G31.1Very low31.9Very low59 Ų59127.1 Ų127.161%0.60869%0.689SS**  trans-129.248.6177.100000110.7G272 R276G272-G274 PolarHBondContact O-N 3.37Å; G274-R276 PolarHBondContact O-N 3.16Å
275G28.8Very low31.4Very low74 Ų74126.6 Ų126.676%0.76370%0.698SS**PPolyproline II helixtrans-65.5126.7161.200000108.2A277G275-A277 PolarHBondContact O-N 2.98Å
276R29.8Very low31.2Very low248 Ų248127.3 Ų127.394%0.93671%0.711SS**PPolyproline II helixtrans-53.4124.8157.8-78.7-176.9-166-108.42.7106.3G274 W278G274-R276 PolarHBondContact O-N 3.16Å; R276-W278 PolarHBondContact O-N 2.69Å; R276-W278 VanDerWaalsContact O-N 3.15Å
277A27.4Very low31.1Very low90 Ų90132.3 Ų132.374%0.74474%0.735SS**PPolyproline II helixtrans-55.8119.216300000107.2G275 E279G275-A277 PolarHBondContact O-N 2.98Å; A277-E279 PolarHBondContact O-N 3.39Å
278W26.2Very low30.5Very low236 Ų236134.8 Ų134.889%0.89476%0.758SS**  trans-70.2106.8162-178.2-90.7000105.8R276 P280R276-W278 PolarHBondContact O-N 2.69Å; R276-W278 VanDerWaalsContact O-N 3.15Å; W278-P280 WeakPolarHBondContact O-CD 3.48Å
279E26.7Very low30.2Very low173 Ų173136.2 Ų136.281%0.80876%0.762SS**PPolyproline II helixtrans-76.5123.3170.8-72.5-164.2154.600108.6A277A277-E279 PolarHBondContact O-N 3.39Å
280P27.9Very low30.2Very low99 Ų99134.3 Ų134.364%0.64377%0.77SS**PPolyproline II helixtrans-75.9152.4165.632.2-29.5000109.5W278W278-P280 WeakPolarHBondContact O-CD 3.48Å
281P27.2Very low30Very low127 Ų127135.4 Ų135.483%0.82578%0.783SS**PPolyproline II helixtrans-63.6143.9176.3-15.229.3000111.3
282A29.1Very low30Very low100 Ų100134.3 Ų134.383%0.82679%0.794SS**PPolyproline II helixtrans-62.1128.7-176.600000113.4
283E28.4Very low29.9Very low194 Ų194143.7 Ų143.791%0.90782%0.819SS**  trans-139.3156153.7-75.4-168.9155.200109.6
284E27.9Very low29.6Very low194 Ų194138.8 Ų138.891%0.90780%0.8SS**  trans-75.8148.8-144.5-59171.9147.500116.2
285L30.5Very low29.5Very low153 Ų153140.5 Ų140.580%0.80181%0.809SS**  trans-53.4155.1169.2-90.2163.2000112.7
286P30.7Very low29.5Very low123 Ų123144.7 Ų144.780%0.79981%0.813SS**  -145.3158.379.631.3-9.2000118.7
287Q32Very low29.8Very low180 Ų180142.3 Ų142.384%0.84181%0.812SS**  trans-44.2142.8177.4-65.6157-55.700117.1
288A26.5Very low30Very low91 Ų91146.5 Ų146.575%0.75282%0.817SS**  trans-154.1106.7144.700000109.2
289S28Very low30.5Very low115 Ų115139 Ų13980%0.80481%0.813SS**  78.288.597.5-52.40000113.7
290S36.4Very low30.7Very low125 Ų125138.9 Ų138.987%0.87482%0.817SS**  trans-71.2150.4159.5-41.40000110.3
291P34.2Very low30.9Very low119 Ų119142.6 Ų142.677%0.77383%0.826SS**  trans-128.9161.9141.733.8-20.6000113.8
292P40Very low31.2Very low121 Ų121142.2 Ų142.279%0.78682%0.823SS**  trans-108.2-177.5-160.939.2-27.1000113.6
293Y26.7Very low31.4Very low236 Ų236145.6 Ų145.693%0.92582%0.822SS**  trans89.6133168.5-136.4-95.4000115
294G26.9Very low31.7Very low57 Ų57141.8 Ų141.859%0.58881%0.814SS**  cis164.4134200000108.6
295A28.5Very low32Very low96 Ų96138 Ų13879%0.79381%0.808SS**  trans52.511315700000121.1
296L29.2Very low32.2Very low161 Ų161135.4 Ų135.484%0.84381%0.81SS**  -15899.1122.9-118.4130.2000108.6
297E35.3Very low32.5Very low198 Ų198136.1 Ų136.193%0.92580%0.8SS**  trans-75.9121.3165.2-73.6-173.2146.600108.3
298E31.1Very low32.4Very low179 Ų179130.7 Ų130.784%0.83678%0.782SS**  trans-137.4104.9163.7-129.8172.9-169.200108.7
299G37.2Very low32.8Very low79 Ų79133.4 Ų133.481%0.81478%0.777SS**  trans52.568.5150.100000118.6
300L31.9Very low33.1Very low169 Ų169132.4 Ų132.489%0.88577%0.766SS**  trans-124.2119.8151-74.5169.7000108.5
301E32Very low32.9Very low178 Ų178129.4 Ų129.483%0.83275%0.745SS**  trans-37.4137.9168.2-67.2-7912400110.8E303E301-E303 PolarHBondContact O-N 3.34Å
302P31.8Very low33.1Very low119 Ų119126.6 Ų126.677%0.77372%0.723SS**  trans-63.9110.917826-30.7000108.9
303E34.2Very low32.9Very low170 Ų170130 Ų13079%0.79472%0.72SS**  trans-42.8124.5161.7-83.7-82.7124.200108.1E301 S305E301-E303 PolarHBondContact O-N 3.34Å; E303-S305 PolarHBondContact O-N 3.08Å
304P34.2Very low33.3Very low115 Ų115127.6 Ų127.675%0.74771%0.71SS**  trans-63.2109.6173.425.6-30.7000107A306P304-A306 PolarHBondContact O-N 3.48Å; P304-A306 VanDerWaalsContact O-N 3.1Å
305S35.1Very low33.7Very low113 Ų113132.3 Ų132.379%0.7972%0.716SS**  trans-17.9107.6176.9-61.60000112.6E303 F307E303-S305 PolarHBondContact O-N 3.08Å; S305-F307 PolarHBondContact O-N 3.3Å
306A34.5Very low34Very low100 Ų100134.4 Ų134.483%0.82671%0.713SS**  trans-47.6111.5174.400000109.5P304 S308P304-A306 PolarHBondContact O-N 3.48Å; P304-A306 VanDerWaalsContact O-N 3.1Å; A306-S308 PolarHBondContact O-N 2.99Å
307F36Very low34.2Very low137 Ų137130.4 Ų130.460%0.60170%0.699SS**  trans-73.5113.9-174.8-162.7-87000109.2S305 L312S305-F307 PolarHBondContact O-N 3.3Å; F307-L312 HydrophobicContact CD1-CD1 4.37Å; F307-L312 HydrophobicContact CE1-CB 4.02Å; F307-L312 HydrophobicContact CE1-CD1 3.75Å; F307-L312 HydrophobicContact CE1-CG 4.36Å
308S30.2Very low33.9Very low66 Ų66130.5 Ų130.546%0.46269%0.691SS.*  trans-74.8129.9173.8176.40000110.6A306 V310 S311A306-S308 PolarHBondContact O-N 2.99Å; S308-V310 PolarHBondContact O-N 2.91Å; S308-V310 PolarHBondContact OG-N 2.71Å; S308-S311 WeakPolarHBondContact O-CB 3.39Å; S308-S311 PolarHBondContact O-N 3.34Å
309F34.8Very low34Very low149 Ų149127 Ų12765%0.65468%0.684SS**Hα-helixtrans-58.4-14.7176.7-128.8-96.6000113.5L312 R313F309-L312 PolarHBondContact O-N 3.19Å; F309-R313 PolarHBondContact O-N 2.7Å; F309-R313 VanDerWaalsContact O-N 3.11Å
310V34.8Very low33.7Very low93 Ų93126.7 Ų126.756%0.56468%0.68SS**Hα-helixtrans-68-35.2173.2-176.10000111.5S308 L312 R313 R314S308-V310 PolarHBondContact O-N 2.91Å; S308-V310 PolarHBondContact OG-N 2.71Å; V310-L312 VanDerWaalsContact C-N 3.34Å; V310-R313 PolarHBondContact O-N 3.26Å; V310-R314 PolarHBondContact O-N 2.87Å; V310-R314 VanDerWaalsContact O-N 3.14Å
311S32.9Very low33.6Very low62 Ų62126.4 Ų126.443%0.43468%0.68SS.*Hα-helixtrans-67.4-36.9175-64.20000111.5S308 R314 E315S308-S311 WeakPolarHBondContact O-CB 3.39Å; S308-S311 PolarHBondContact O-N 3.34Å; S311-R314 PolarHBondContact O-N 2.96Å; S311-E315 PolarHBondContact O-N 3.46Å
312L36.9Very low33.5Very low60 Ų60125.8 Ų125.831%0.31468%0.681SS.*Hα-helixtrans-68.6-36.5176.8-142.7128.8000111.9F307 F309 V310 R314 L316F307-L312 HydrophobicContact CD1-CD1 4.37Å; F307-L312 HydrophobicContact CE1-CB 4.02Å; F307-L312 HydrophobicContact CE1-CD1 3.75Å; F307-L312 HydrophobicContact CE1-CG 4.36Å; F309-L312 PolarHBondContact O-N 3.19Å; V310-L312 VanDerWaalsContact C-N 3.34Å; L312-R314 VanDerWaalsContact C-N 3.34Å; L312-L316 HydrophobicContact CD2-CD1 3.67Å; L312-L316 WeakPolarHBondContact O-CG 3.22Å; L312-L316 PolarHBondContact O-N 3.49Å; L312-L316 VanDerWaalsContact O-N 3.16Å
313R37.2Very low33.4Very low193 Ų193124.5 Ų124.573%0.72868%0.681SS**Hα-helixtrans-66.4-35.8173.9-167178.7-175.8-142.50.2112F309 V310 S317F309-R313 PolarHBondContact O-N 2.7Å; F309-R313 VanDerWaalsContact O-N 3.11Å; V310-R313 PolarHBondContact O-N 3.26Å; R313-S317 WeakPolarHBondContact O-CB 3.37Å; R313-S317 PolarHBondContact O-N 3.31Å; R313-S317 VanDerWaalsContact O-N 3.11Å; R313-S317 PolarHBondContact O-OG 2.98Å
314R34.8Very low33.1Very low185 Ų185122.3 Ų122.370%0.69868%0.679SS**Hα-helixtrans-72.8-31-179.1-160.4-178.6-80.4175.8-4.7112.5V310 S311 L312V310-R314 PolarHBondContact O-N 2.87Å; V310-R314 VanDerWaalsContact O-N 3.14Å; S311-R314 PolarHBondContact O-N 2.96Å; L312-R314 VanDerWaalsContact C-N 3.34Å
315E34.7Very low32.9Very low156 Ų156122.7 Ų122.773%0.72968%0.682SS**Hα-helixtrans-78.8-36.6174.1-73.2-161.3163.100113.5S311 S317S311-E315 PolarHBondContact O-N 3.46Å; E315-S317 VanDerWaalsContact C-N 3.34Å
316L35.3Very low32.6Very low140 Ų140126.4 Ų126.473%0.73369%0.687SS**Hα-helixtrans-80.1-13.7178.5-66.5176.9000114.2L312L312-L316 HydrophobicContact CD2-CD1 3.67Å; L312-L316 WeakPolarHBondContact O-CG 3.22Å; L312-L316 PolarHBondContact O-N 3.49Å; L312-L316 VanDerWaalsContact O-N 3.16Å
317S32.3Very low32.3Very low78 Ų78127.4 Ų127.455%0.54569%0.687SS.*THydrogen-bonded Turntrans-103.28179.4-48.40000113.6R313 E315 P319R313-S317 WeakPolarHBondContact O-CB 3.37Å; R313-S317 PolarHBondContact O-N 3.31Å; R313-S317 VanDerWaalsContact O-N 3.11Å; R313-S317 PolarHBondContact O-OG 2.98Å; E315-S317 VanDerWaalsContact C-N 3.34Å; S317-P319 VanDerWaalsContact O-CD 3.26Å; S317-P319 WeakPolarHBondContact O-CD 3.49Å
318R30.7Very low31.9Very low200 Ų200126.4 Ų126.476%0.75570%0.698SS**  trans-80.4115.7170.5-85.7-178.9169.1179.4-3.9108.8G320R318-G320 PolarHBondContact O-N 3.4Å
319P32.1Very low31.9Very low105 Ų105128.4 Ų128.468%0.68272%0.718SS**  trans-57.5132.9153.5-9.126.2000106S317 D321S317-P319 VanDerWaalsContact O-CD 3.26Å; S317-P319 WeakPolarHBondContact O-CD 3.49Å; P319-D321 PolarHBondContact O-N 2.72Å
320G31.5Very low31.5Very low72 Ų72124.7 Ų124.774%0.74272%0.722SS**  trans-58.6111168.300000108.2R318 L322R318-G320 PolarHBondContact O-N 3.4Å; G320-L322 PolarHBondContact O-N 2.94Å
321D29Very low31.1Very low164 Ų164125.5 Ų125.588%0.87774%0.738SS**  trans-6390.4163.9-77.3-36.2000107.2P319 A323P319-D321 PolarHBondContact O-N 2.72Å; D321-A323 VanDerWaalsContact C-N 3.26Å; D321-A323 PolarHBondContact O-N 2.81Å; D321-A323 VanDerWaalsContact O-N 3.09Å
322L31.6Very low30.9Very low164 Ų164128 Ų12886%0.85976%0.756SS**  trans-72.892.7158.3-81.1169.5000106.6G320 T324G320-L322 PolarHBondContact O-N 2.94Å; L322-T324 PolarHBondContact O-N 3.22Å
323A28.5Very low31.2Very low92 Ų92130.2 Ų130.276%0.7677%0.773SS**  trans-55105.3155.900000108.2D321D321-A323 VanDerWaalsContact C-N 3.26Å; D321-A323 PolarHBondContact O-N 2.81Å; D321-A323 VanDerWaalsContact O-N 3.09Å
324T27.4Very low30.8Very low125 Ų125132.9 Ų132.977%0.76778%0.784SS**PPolyproline II helixtrans-64.5127.616035.50000109.1L322L322-T324 PolarHBondContact O-N 3.22Å
325P31.1Very low30.5Very low122 Ų122135.4 Ų135.479%0.79279%0.793SS**PPolyproline II helixtrans-81130.5154.131.8-25.2000108.5
326E28.3Very low30.3Very low192 Ų192136.3 Ų136.390%0.89780%0.801SS**PPolyproline II helixtrans-61134.8166.6-62.1179.6122.300110.3
327S27.6Very low29.9Very low120 Ų120139.1 Ų139.184%0.83980%0.802SS**  trans-154.6125.6139.672.90000110.4
328S29.3Very low29.7Very low117 Ų117140.2 Ų140.282%0.81882%0.816SS**  trans-71.4162.8-175.739.70000116.4
329A28.8Very low29.6Very low108 Ų108138.1 Ų138.189%0.89382%0.815SS**  trans78.7133.4162.200000116.3
330G26.2Very low29.3Very low71 Ų71136.8 Ų136.873%0.73282%0.82SS**  cis168.7158.74.800000108.3
331A27.1Very low29.4Very low109 Ų109140 Ų14090%0.90183%0.825SS**  trans75.2112.1164.900000120.1
332S27.7Very low29.7Very low115 Ų115138.3 Ų138.380%0.80482%0.823SS**  trans-87.7177.5142.7-141.40000108.5
333P44.5Very low29.6Very low106 Ų106134.9 Ų134.969%0.68882%0.818SS**  cis-136.5171.1-5.638.2-20.7000113.9
334R28.3Very low29.7Very low250 Ų250136.3 Ų136.394%0.94382%0.823SS**  trans-166135.3136.3-111171.3-180-172.4-0.5114
335R28.5Very low29.8Very low237 Ų237134.5 Ų134.589%0.89482%0.82SS**  trans-64.1152.7174.3-61.4176175.3-158-2.7111.7
336I29.9Very low29.6Very low176 Ų176140.2 Ų140.290%0.90383%0.828SS**  -150.4137.4128.8-87.8144.5000108.2
337R28.2Very low29.5Very low199 Ų199141.8 Ų141.875%0.75183%0.825SS**  trans-93141.7178.2171-175-178.8173.50.5108.8E339R337-E339 IonicContact CZ-OE1 3.5Å; R337-E339 IonicContact NE-OE1 3.45Å; R337-E339 PolarHBondContact NE-OE1 2.95Å; R337-E339 IonicContact NH2-OE1 2.75Å; R337-E339 PolarHBondContact NH2-OE1 3.1Å
338A26.8Very low29.6Very low101 Ų101140.6 Ų140.684%0.83582%0.817SS**  trans-154.9134.9151.800000110.2
339E29Very low29.6Very low156 Ų156141.6 Ų141.673%0.72982%0.818SS**  trans-86.2161-171.2-66.8163.2161.300112.4R337R337-E339 IonicContact CZ-OE1 3.5Å; R337-E339 IonicContact NE-OE1 3.45Å; R337-E339 PolarHBondContact NE-OE1 2.95Å; R337-E339 IonicContact NH2-OE1 2.75Å; R337-E339 PolarHBondContact NH2-OE1 3.1Å
340G26.8Very low29.8Very low77 Ų77140.9 Ų140.979%0.79481%0.806SS**  trans150.8104.116100000114.6
341V32.8Very low30.5Very low139 Ų139145.5 Ų145.584%0.84281%0.809SS**  trans-94.3145.3164.1-174.10000106.9
342P36.2Very low31.4Very low129 Ų129145.1 Ų145.184%0.83880%0.797SS**  -139.6169.89526.5-5.1000114.8
343A28.9Very low32.7Very low91 Ų91143.7 Ų143.775%0.75279%0.785SS**  trans-62.8169.5-175.100000116.5
344S30.6Very low33.9Very low123 Ų123139.4 Ų139.486%0.8676%0.76SS**  trans81.999.1156.7-159.20000117.8
345A28.4Very low36.3Very low87 Ų87129.1 Ų129.172%0.71972%0.722SS**  -162.496.4127.300000107.9R347A345-R347 VanDerWaalsContact C-N 3.28Å; A345-R347 PolarHBondContact O-N 2.94Å
346Y27Very low38.9Very low241 Ų241123 Ų12395%0.94570%0.703SS**  trans-52.4103152.1-110.4-101.7000106S348Y346-S348 PolarHBondContact O-N 3.23Å
347R27.4Very low41.5Very low226 Ų226117 Ų11785%0.85368%0.68SS**  trans-66.2106.8166.8-101.3-174.5-166.6161.35.7105.8A345 V349A345-R347 VanDerWaalsContact C-N 3.28Å; A345-R347 PolarHBondContact O-N 2.94Å; R347-V349 PolarHBondContact O-N 3.45Å
348S29.8Very low44.2Very low94 Ų94109.4 Ų109.466%0.65765%0.653SS**  trans-34.1109.8159.251.70000109.6Y346 S350Y346-S348 PolarHBondContact O-N 3.23Å; S348-S350 PolarHBondContact O-N 3Å
349V28.4Very low46.9Very low139 Ų139110 Ų11084%0.84265%0.651SS**  trans-70.684.4162.3179.70000104.9R347 E351R347-V349 PolarHBondContact O-N 3.45Å; V349-E351 PolarHBondContact O-N 3.11Å
350S34.1Very low49.5Very low92 Ų92104.5 Ų104.564%0.64363%0.629SS**  trans-63.1117.4168.2-58.10000107.2S348S348-S350 PolarHBondContact O-N 3Å
351E40.3Very low52.2Low169 Ų169102 Ų10279%0.7960%0.597SS**  trans-45.8148.3174.2-65.9170.2130.300111.7V349 P353V349-E351 PolarHBondContact O-N 3.11Å; E351-P353 WeakPolarHBondContact O-CD 3.4Å
352P44.7Very low54.2Low101 Ų10199.1 Ų99.166%0.65658%0.583SS**PPolyproline II helixtrans-86.1121.3-179.731-28.5000112.6
353P56.9Low55.9Low84 Ų8499.5 Ų99.555%0.54559%0.586SS.*PPolyproline II helixtrans-62.1139.5155.623.6-34000111.3E351 R375E351-P353 WeakPolarHBondContact O-CD 3.4Å; P353-R375 VanDerWaalsContact CD-CZ 3.44Å; P353-R375 WeakPolarHBondContact O-CD 3.15Å; P353-R375 PolarHBondContact O-NH1 3.29Å
354G68.4Low57.9Low17 Ų1799 Ų9918%0.17559%0.589CS.*PPolyproline II helixtrans-57.9165.2-174.800000116D413G354-D413 WeakPolarHBondContact CA-OD2 3.49Å
355Y78.2Confident60.3Low34 Ų3494.6 Ų94.613%0.13356%0.56CS.*PPolyproline II helixtrans-80.3144.1176.7-75.6-96.1000111.1C370 D372 R375 W406 A410 D413Y355-C370 WeakPolarHBondContact CE1-SG 3.26Å; Y355-D372 PolarHBondContact OH-OD1 2.65Å; Y355-R375 CarbonylContact C-O 3.58Å; Y355-R375 WeakPolarHBondContact CA-O 3.37Å; Y355-R375 HydrophobicContact CD1-CB 4.11Å; Y355-R375 HydrophobicContact CE1-CB 4.33Å; Y355-W406 AromaticContact CD1-CZ3 3.89Å; Y355-W406 HydrophobicContact CD1-CZ3 3.89Å; Y355-W406 AromaticContact CD2-CZ3 3.84Å; Y355-W406 HydrophobicContact CD2-CZ3 3.84Å; Y355-W406 HydrophobicContact CE1-CH2 4.38Å; Y355-W406 AromaticContact CE1-CZ3 3.81Å; Y355-W406 HydrophobicContact CE1-CZ3 3.81Å; Y355-W406 HydrophobicContact CE2-CH2 4.18Å; Y355-W406 AromaticContact CE2-CZ3 3.74Å; Y355-W406 HydrophobicContact CE2-CZ3 3.74Å; Y355-W406 HydrophobicContact CG-CE3 4.5Å; Y355-W406 AromaticContact CG-CZ3 3.92Å; Y355-W406 HydrophobicContact CG-CZ3 3.92Å; Y355-W406 AromaticContact CZ-CZ3 3.73Å; Y355-A410 VanDerWaalsContact O-CA 3.26Å; Y355-A410 WeakPolarHBondContact O-CA 3.4Å; Y355-A410 WeakPolarHBondContact O-CB 3.49Å; Y355-D413 PolarHBondContact N-OD2 3.41Å; Y355-D413 WeakPolarHBondContact O-CB 3.45Å
356Q83.1Confident63Low108 Ų10892.1 Ų92.151%0.50554%0.535SS..EExtended strand (participates in β ladder)trans-121.1146.1-179.9-66.3178.915.900112.2H358 R375 Q376 L377Q356-H358 PolarHBondContact O-N 2.89Å; Q356-R375 PolarHBondContact N-O 3.4Å; Q356-Q376 VanDerWaalsContact O-CA 3.31Å; Q356-Q376 WeakPolarHBondContact O-CA 3.49Å; Q356-L377 PolarHBondContact O-N 3.32Å
357A84.9Confident65.9Low49 Ų4980.7 Ų80.741%0.40549%0.49SS..EExtended strand (participates in β ladder)trans-74.8122.9171.400000109.6L361A357-L361 HydrophobicContact CB-CD1 3.98Å
358H84.8Confident68.8Low41 Ų4171.1 Ų71.119%0.1946%0.457CS..  trans-73.1152.7175.2-173-95.7000110.3Q356 C360 L361 Q376 L377 H378Q356-H358 PolarHBondContact O-N 2.89Å; H358-C360 PolarHBondContact ND1-N 3.29Å; H358-C360 PolarHBondContact ND1-SG 3.08Å; H358-C360 PolarHBondContact O-N 2.9Å; H358-L361 PolarHBondContact O-N 3.32Å; H358-Q376 HydrophobicContact CB-CB 4.47Å; H358-Q376 PolarHBondContact CD2-OE1 3.11Å; H358-L377 WeakPolarHBondContact CB-O 3.3Å; H358-L377 PolarHBondContact N-O 3.11Å; H358-L377 VanDerWaalsContact N-O 3.12Å; H358-H378 AromaticContact CD2-CE1 3.85Å; H358-H378 AromaticContact CG-CE1 3.77Å; H358-H378 AromaticContact CG-ND1 3.67Å; H358-H378 AromaticContact ND1-ND1 3.88Å
359S84.6Confident71.5Confident114 Ų11467.8 Ų67.880%0.79743%0.431SS*.THydrogen-bonded Turntrans-60.5-5.5-17958.70000115.2L361S359-L361 VanDerWaalsContact C-N 3.29Å
360C83.1Confident74.3Confident39 Ų3961.1 Ų61.126%0.26439%0.391SS..THydrogen-bonded Turntrans-80.2-9.1173.764.10000113.6H358 A379 C382H358-C360 PolarHBondContact ND1-N 3.29Å; H358-C360 PolarHBondContact ND1-SG 3.08Å; H358-C360 PolarHBondContact O-N 2.9Å; C360-A379 PolarHBondContact SG-N 2.94Å; C360-C382 HydrophobicContact CB-CB 3.79Å; C360-C382 VanDerWaalsContact CB-SG 3.59Å; C360-C382 VanDerWaalsContact SG-CB 3.58Å; C360-C382 PolarHBondContact SG-SG 3.42Å
361L84.1Confident76.7Confident25 Ų2556.8 Ų56.813%0.13136%0.36CS..  trans-92.1105.2175.4-65.7169000109.1A357 H358 S359 P367 L377 A379 L407A357-L361 HydrophobicContact CB-CD1 3.98Å; H358-L361 PolarHBondContact O-N 3.32Å; S359-L361 VanDerWaalsContact C-N 3.29Å; L361-P367 HydrophobicContact CD1-CB 4.15Å; L361-P367 HydrophobicContact CD2-CB 4.07Å; L361-L377 HydrophobicContact CD1-CB 3.92Å; L361-L377 WeakPolarHBondContact CD1-O 3.29Å; L361-A379 HydrophobicContact CD2-CB 4.08Å; L361-L407 HydrophobicContact CD1-CD1 4.43Å
362S75.3Confident78.6Confident78 Ų7850.9 Ų50.955%0.54533%0.334SS..  trans-70.2156.7169.652.70000111G364 A365S362-G364 PolarHBondContact O-N 3.23Å; S362-G364 VanDerWaalsContact O-N 3.11Å; S362-A365 WeakPolarHBondContact O-CB 3.47Å; S362-A365 PolarHBondContact O-N 2.96Å; S362-A365 WeakPolarHBondContact OG-CB 3.28Å
363P71.2Confident80.3Confident138 Ų13849.5 Ų49.590%0.89632%0.324SS*.THydrogen-bonded Turntrans-53.9119.3176.6-25.534.6000111.4
364G70Confident81.4Confident79 Ų7947.8 Ų47.881%0.81431%0.314SS*.THydrogen-bonded Turntrans92.4-8.2-177.800000115.8S362S362-G364 PolarHBondContact O-N 3.23Å; S362-G364 VanDerWaalsContact O-N 3.11Å
365A81.5Confident82.1Confident31 Ų3150.3 Ų50.326%0.25632%0.318SS..PPolyproline II helixtrans-78.8138.6174.200000111.9S362S362-A365 WeakPolarHBondContact O-CB 3.47Å; S362-A365 PolarHBondContact O-N 2.96Å; S362-A365 WeakPolarHBondContact OG-CB 3.28Å
366L85.6Confident82.5Confident36 Ų3651.4 Ų51.419%0.18832%0.324CS..PPolyproline II helixtrans-90.8136179.2-67.1-177.9000111.4D400 R403 R404 L407L366-D400 HydrophobicContact CD1-CB 4.03Å; L366-R403 HydrophobicContact CB-CB 3.91Å; L366-R403 HydrophobicContact CD1-CB 4.23Å; L366-R403 HydrophobicContact CD2-CB 4.42Å; L366-R403 HydrophobicContact CG-CB 4.42Å; L366-R404 HydrophobicContact CD1-CG 4.23Å; L366-R404 HydrophobicContact CD2-CB 4.46Å; L366-R404 HydrophobicContact CD2-CG 3.49Å; L366-R404 VanDerWaalsContact CD2-CG 3.49Å; L366-L407 HydrophobicContact CD2-CD2 4.35Å
367P87.8Confident82.7Confident0 Ų046.3 Ų46.30%030%0.3CS..PPolyproline II helixtrans-68.8139.517529.7-34.5000110.2L361 L377 L397 R403 L407L361-P367 HydrophobicContact CD1-CB 4.15Å; L361-P367 HydrophobicContact CD2-CB 4.07Å; P367-L377 HydrophobicContact CB-CB 3.88Å; P367-L377 HydrophobicContact CG-CB 4.48Å; P367-L377 HydrophobicContact CG-CD1 4.25Å; P367-L397 HydrophobicContact CB-CD1 4.19Å; P367-L397 HydrophobicContact CG-CD1 4.02Å; P367-R403 HydrophobicContact CG-CB 4.48Å; P367-R403 WeakPolarHBondContact CG-O 3.47Å; P367-R403 WeakPolarHBondContact O-CB 3.43Å; P367-R403 VanDerWaalsContact O-CD 3.29Å; P367-R403 WeakPolarHBondContact O-CD 3.39Å; P367-R403 WeakPolarHBondContact O-CG 3.48Å; P367-L407 HydrophobicContact CG-CB 4.26Å
368T87.3Confident82.9Confident25 Ų2544 Ų4415%0.15328%0.281CS..  trans-104.8-18.7176.1580000112H378 A380 L397T368-H378 PolarHBondContact N-O 3.27Å; T368-H378 PolarHBondContact OG1-O 3.01Å; T368-A380 HydrophobicContact CG2-CB 4.05Å; T368-A380 WeakPolarHBondContact OG1-CA 3.48Å; T368-A380 WeakPolarHBondContact OG1-CB 3.34Å; T368-A380 PolarHBondContact OG1-N 3.12Å; T368-L397 PolarHBondContact O-N 3.48Å
369L86.9Confident83.1Confident24 Ų2443 Ų4313%0.12628%0.28CS..EExtended strand (participates in β ladder)trans-136.8138.8-174.2-71.1147.3000109.9H378 L385 R395 V396L369-H378 HydrophobicContact CB-CB 4.35Å; L369-H378 PolarHBondContact N-O 3.42Å; L369-H378 VanDerWaalsContact N-O 3.1Å; L369-H378 PolarHBondContact O-N 2.67Å; L369-L385 HydrophobicContact CB-CD2 4.45Å; L369-L385 HydrophobicContact CD1-CD1 3.53Å; L369-L385 HydrophobicContact CD1-CD2 3.9Å; L369-L385 HydrophobicContact CD1-CG 4.38Å; L369-R395 CarbonylContact C-O 3.59Å; L369-R395 WeakPolarHBondContact CA-O 3.44Å; L369-V396 HydrophobicContact CD2-CG2 3.82Å
370C86.8Confident83Confident0 Ų039.6 Ų39.60%026%0.259CS..EExtended strand (participates in β ladder)trans-115.4129170.7178.90000108.8Y355 D372 L377 L394 R395 L397 W406Y355-C370 WeakPolarHBondContact CE1-SG 3.26Å; C370-D372 PolarHBondContact SG-OD1 2.86Å; C370-L377 HydrophobicContact CB-CD2 3.74Å; C370-L394 CarbonylContact O-C 3.58Å; C370-L394 WeakPolarHBondContact O-CA 3.21Å; C370-R395 HydrophobicContact CB-CB 4.41Å; C370-R395 PolarHBondContact N-O 2.78Å; C370-R395 PolarHBondContact O-N 3.28Å; C370-L397 HydrophobicContact CB-CD2 4.28Å; C370-L397 HydrophobicContact CB-CG 4.48Å; C370-W406 VanDerWaalsContact SG-CZ3 3.56Å
371C85.4Confident82.9Confident0 Ų046.3 Ų46.30%029%0.286CS..EExtended strand (participates in β ladder)trans-101110.3174.5-175.70000109.1T373 C374 R375 Q376 H392 L394C371-T373 VanDerWaalsContact C-N 3.25Å; C371-T373 PolarHBondContact O-N 2.87Å; C371-C374 HydrophobicContact CB-CB 4.23Å; C371-C374 PolarHBondContact SG-N 3.01Å; C371-R375 WeakPolarHBondContact O-CA 3.44Å; C371-R375 PolarHBondContact O-N 3.21Å; C371-Q376 PolarHBondContact N-O 3.4Å; C371-Q376 PolarHBondContact O-N 2.96Å; C371-H392 VanDerWaalsContact SG-CB 3.55Å; C371-L394 HydrophobicContact CB-CD2 3.66Å
372D79.2Confident82.9Confident45 Ų4545.6 Ų45.624%0.24128%0.283CS..THydrogen-bonded Turntrans-74.5-20.7-177.8-62.9-15.6000111.1Y355 C370 S393 R395Y355-D372 PolarHBondContact OH-OD1 2.65Å; C370-D372 PolarHBondContact SG-OD1 2.86Å; D372-S393 PolarHBondContact N-O 3.22Å; D372-R395 IonicContact OD2-CZ 3.56Å; D372-R395 IonicContact OD2-NE 3.09Å; D372-R395 IonicContact OD2-NH2 2.6Å; D372-R395 PolarHBondContact OD2-NH2 3.34Å
373T81.4Confident83.2Confident73 Ų7346.6 Ų46.645%0.44830%0.296SS..THydrogen-bonded Turntrans-80.4-47.7177-46.50000112.6C371 H392 S393C371-T373 VanDerWaalsContact C-N 3.25Å; C371-T373 PolarHBondContact O-N 2.87Å; T373-H392 HydrophobicContact CG2-CB 4.4Å; T373-H392 VanDerWaalsContact CG2-CD2 3.49Å; T373-H392 WeakPolarHBondContact CG2-CD2 3.45Å; T373-H392 WeakPolarHBondContact OG1-CA 3.36Å; T373-S393 PolarHBondContact OG1-N 3.19Å
374C80.4Confident83.6Confident47 Ų4741.6 Ų41.632%0.31827%0.266SS..THydrogen-bonded Turntrans-85.7-12.4176-62.70000113.4C371 Q376 H392C371-C374 HydrophobicContact CB-CB 4.23Å; C371-C374 PolarHBondContact SG-N 3.01Å; C374-Q376 HydrophobicContact CB-CB 4.27Å; C374-Q376 HydrophobicContact CB-CG 4.36Å; C374-Q376 PolarHBondContact O-N 3.14Å; C374-H392 PolarHBondContact SG-CE1 2.88Å; C374-H392 PolarHBondContact SG-ND1 3Å
375R82.6Confident84Confident71 Ų7138 Ų3827%0.26823%0.229SC..THydrogen-bonded Turntrans55.839.9-174-57.8167.5-177.1-121.75.7112.4P353 Y355 Q356 C371P353-R375 VanDerWaalsContact CD-CZ 3.44Å; P353-R375 WeakPolarHBondContact O-CD 3.15Å; P353-R375 PolarHBondContact O-NH1 3.29Å; Y355-R375 CarbonylContact C-O 3.58Å; Y355-R375 WeakPolarHBondContact CA-O 3.37Å; Y355-R375 HydrophobicContact CD1-CB 4.11Å; Y355-R375 HydrophobicContact CE1-CB 4.33Å; Q356-R375 PolarHBondContact N-O 3.4Å; C371-R375 WeakPolarHBondContact O-CA 3.44Å; C371-R375 PolarHBondContact O-N 3.21Å
376Q86.9Confident84Confident57 Ų5740.8 Ų40.827%0.26624%0.244SC..EExtended strand (participates in β ladder)trans-122.5141.7-175.9-76.7176.51.800112Q356 H358 C371 C374 H378Q356-Q376 VanDerWaalsContact O-CA 3.31Å; Q356-Q376 WeakPolarHBondContact O-CA 3.49Å; H358-Q376 HydrophobicContact CB-CB 4.47Å; H358-Q376 PolarHBondContact CD2-OE1 3.11Å; C371-Q376 PolarHBondContact N-O 3.4Å; C371-Q376 PolarHBondContact O-N 2.96Å; C374-Q376 HydrophobicContact CB-CB 4.27Å; C374-Q376 HydrophobicContact CB-CG 4.36Å; C374-Q376 PolarHBondContact O-N 3.14Å; Q376-H378 PolarHBondContact O-CD2 3.16Å
377L88.1Confident83.6Confident0 Ų042.5 Ų42.50%026%0.264CS..EExtended strand (participates in β ladder)trans-95.5129.9174.1-59.5179.6000110.1Q356 H358 L361 P367 C370 W406 A410Q356-L377 PolarHBondContact O-N 3.32Å; H358-L377 WeakPolarHBondContact CB-O 3.3Å; H358-L377 PolarHBondContact N-O 3.11Å; H358-L377 VanDerWaalsContact N-O 3.12Å; L361-L377 HydrophobicContact CD1-CB 3.92Å; L361-L377 WeakPolarHBondContact CD1-O 3.29Å; P367-L377 HydrophobicContact CB-CB 3.88Å; P367-L377 HydrophobicContact CG-CB 4.48Å; P367-L377 HydrophobicContact CG-CD1 4.25Å; C370-L377 HydrophobicContact CB-CD2 3.74Å; L377-W406 HydrophobicContact CD1-CB 4.19Å; L377-W406 VanDerWaalsContact CD1-O 3.24Å; L377-W406 WeakPolarHBondContact CD1-O 3.26Å; L377-W406 HydrophobicContact CD2-CB 4.25Å; L377-W406 HydrophobicContact CD2-CE3 3.99Å; L377-A410 HydrophobicContact CD1-CB 3.51Å; L377-A410 HydrophobicContact CG-CB 4.37Å
378H88.7Confident83.3Confident0 Ų042.8 Ų42.80%027%0.266CS..EExtended strand (participates in β ladder)trans-122.8146.1-175.8-58.9-85.9000112.4H358 T368 L369 Q376 C382 L385H358-H378 AromaticContact CD2-CE1 3.85Å; H358-H378 AromaticContact CG-CE1 3.77Å; H358-H378 AromaticContact CG-ND1 3.67Å; H358-H378 AromaticContact ND1-ND1 3.88Å; T368-H378 PolarHBondContact N-O 3.27Å; T368-H378 PolarHBondContact OG1-O 3.01Å; L369-H378 HydrophobicContact CB-CB 4.35Å; L369-H378 PolarHBondContact N-O 3.42Å; L369-H378 VanDerWaalsContact N-O 3.1Å; L369-H378 PolarHBondContact O-N 2.67Å; Q376-H378 PolarHBondContact O-CD2 3.16Å; H378-C382 HydrophobicContact CB-CB 4.02Å; H378-C382 PolarHBondContact ND1-SG 3.08Å; H378-C382 VanDerWaalsContact ND1-SG 3.35Å; H378-L385 HydrophobicContact CB-CD1 4.44Å; H378-L385 HydrophobicContact CB-CD2 3.89Å; H378-L385 HydrophobicContact CB-CG 4.21Å
379A88.6Confident82.9Confident21 Ų2149.9 Ų49.917%0.17429%0.29CS..  trans-73.7160.5163.600000111.5C360 L361 H381 C382 L385C360-A379 PolarHBondContact SG-N 2.94Å; L361-A379 HydrophobicContact CD2-CB 4.08Å; A379-H381 PolarHBondContact O-N 3.18Å; A379-C382 WeakPolarHBondContact O-CB 3.46Å; A379-C382 PolarHBondContact O-N 3.48Å; A379-C382 VanDerWaalsContact O-N 3.15Å; A379-L385 WeakPolarHBondContact O-CD1 3.49Å
380A81.5Confident82.5Confident43 Ų4354.2 Ų54.236%0.35532%0.319SS..THydrogen-bonded Turntrans-58.4-28.1-173.600000113.8T368T368-A380 HydrophobicContact CG2-CB 4.05Å; T368-A380 WeakPolarHBondContact OG1-CA 3.48Å; T368-A380 WeakPolarHBondContact OG1-CB 3.34Å; T368-A380 PolarHBondContact OG1-N 3.12Å
381H81.8Confident81.8Confident179 Ų17957.2 Ų57.283%0.82935%0.35SS*.THydrogen-bonded Turntrans-111.824.3-174.5-41-60.1000112.7A379 A383A379-H381 PolarHBondContact O-N 3.18Å; H381-A383 PolarHBondContact O-N 2.94Å
382C84.6Confident81.9Confident10 Ų1060.2 Ų60.27%0.06836%0.364CS..  trans-67.1129.1-178.2174.50000112.3C360 H378 A379 A384 L385C360-C382 HydrophobicContact CB-CB 3.79Å; C360-C382 VanDerWaalsContact CB-SG 3.59Å; C360-C382 VanDerWaalsContact SG-CB 3.58Å; C360-C382 PolarHBondContact SG-SG 3.42Å; H378-C382 HydrophobicContact CB-CB 4.02Å; H378-C382 PolarHBondContact ND1-SG 3.08Å; H378-C382 VanDerWaalsContact ND1-SG 3.35Å; A379-C382 WeakPolarHBondContact O-CB 3.46Å; A379-C382 PolarHBondContact O-N 3.48Å; A379-C382 VanDerWaalsContact O-N 3.15Å; C382-A384 PolarHBondContact O-N 3.01Å; C382-A384 VanDerWaalsContact O-N 3.17Å; C382-A384 PolarHBondContact SG-N 3.34Å; C382-L385 HydrophobicContact CB-CD1 3.83Å; C382-L385 HydrophobicContact CB-CG 3.87Å; C382-L385 WeakPolarHBondContact O-CB 3.39Å; C382-L385 PolarHBondContact O-N 3.5Å; C382-L385 VanDerWaalsContact O-N 3.09Å
383A81.7Confident82Confident100 Ų10061.6 Ų61.683%0.82638%0.377SS*.THydrogen-bonded Turntrans-63.8-17.5179.500000114.6H381 P386H381-A383 PolarHBondContact O-N 2.94Å; A383-P386 WeakPolarHBondContact O-CD 3.36Å
384A78.3Confident82.2Confident32 Ų3260.7 Ų60.726%0.26437%0.369SS..THydrogen-bonded Turntrans-87.6-10.9176.400000113.6C382 P386 A387 C388C382-A384 PolarHBondContact O-N 3.01Å; C382-A384 VanDerWaalsContact O-N 3.17Å; C382-A384 PolarHBondContact SG-N 3.34Å; A384-P386 VanDerWaalsContact C-CD 3.49Å; A384-A387 PolarHBondContact O-N 2.86Å; A384-C388 PolarHBondContact O-N 3.12Å
385L78.4Confident82.3Confident4 Ų464.4 Ų64.42%0.02138%0.376CS..Hα-helixtrans-63.4-36.8179.6-74.9168.9000114.6L369 H378 A379 C382 A387 C388 R389 L394L369-L385 HydrophobicContact CB-CD2 4.45Å; L369-L385 HydrophobicContact CD1-CD1 3.53Å; L369-L385 HydrophobicContact CD1-CD2 3.9Å; L369-L385 HydrophobicContact CD1-CG 4.38Å; H378-L385 HydrophobicContact CB-CD1 4.44Å; H378-L385 HydrophobicContact CB-CD2 3.89Å; H378-L385 HydrophobicContact CB-CG 4.21Å; A379-L385 WeakPolarHBondContact O-CD1 3.49Å; C382-L385 HydrophobicContact CB-CD1 3.83Å; C382-L385 HydrophobicContact CB-CG 3.87Å; C382-L385 WeakPolarHBondContact O-CB 3.39Å; C382-L385 PolarHBondContact O-N 3.5Å; C382-L385 VanDerWaalsContact O-N 3.09Å; L385-A387 PolarHBondContact O-N 3.42Å; L385-C388 PolarHBondContact O-N 3.23Å; L385-R389 WeakPolarHBondContact O-CG 3.41Å; L385-R389 PolarHBondContact O-N 2.89Å; L385-L394 HydrophobicContact CD2-CD2 4.43Å
386P81.4Confident82.4Confident90 Ų9065.1 Ų65.158%0.58439%0.389SS*.Hα-helixtrans-58.5-29.1174.8-25.335.7000113.3A383 A384 P390A383-P386 WeakPolarHBondContact O-CD 3.36Å; A384-P386 VanDerWaalsContact C-CD 3.49Å; P386-P390 WeakPolarHBondContact O-CD 3.31Å
387A78.8Confident82.2Confident72 Ų7262.4 Ų62.460%0.59538%0.376SS*.Hα-helixtrans-78-27.617400000112.7A384 L385A384-A387 PolarHBondContact O-N 2.86Å; L385-A387 PolarHBondContact O-N 3.42Å
388C79.6Confident81.5Confident6 Ų668.6 Ų68.64%0.04141%0.408CS..Hα-helixtrans-84.1-31.7178.2-63.50000113.6A384 L385 P390 H392 L394A384-C388 PolarHBondContact O-N 3.12Å; L385-C388 PolarHBondContact O-N 3.23Å; C388-P390 VanDerWaalsContact C-CD 3.48Å; C388-H392 WeakPolarHBondContact CA-ND1 3.24Å; C388-H392 HydrophobicContact CB-CB 4.23Å; C388-H392 WeakPolarHBondContact O-CA 3.33Å; C388-H392 WeakPolarHBondContact O-CB 3.41Å; C388-H392 PolarHBondContact O-N 2.84Å; C388-H392 PolarHBondContact SG-ND1 3.44Å; C388-L394 HydrophobicContact CB-CD1 4.28Å; C388-L394 HydrophobicContact CB-CD2 4.01Å; C388-L394 HydrophobicContact CB-CG 4.48Å
389R79.5Confident80.8Confident174 Ų17470.7 Ų70.766%0.65743%0.43SS*.THydrogen-bonded Turntrans-59.2-39.3-177.3-78.6179.6-179.5-1781.6116.3L385 G391 L394L385-R389 WeakPolarHBondContact O-CG 3.41Å; L385-R389 PolarHBondContact O-N 2.89Å; R389-G391 VanDerWaalsContact C-N 3.3Å; R389-G391 PolarHBondContact O-N 3.43Å; R389-L394 HydrophobicContact CB-CD1 4.44Å; R389-L394 HydrophobicContact CG-CD1 3.74Å
390P78Confident79.9Confident114 Ų11473.9 Ų73.974%0.7444%0.444SS*.THydrogen-bonded Turntrans-78.2-10.5-173.127.6-33.4000114.1P386 C388P386-P390 WeakPolarHBondContact O-CD 3.31Å; C388-P390 VanDerWaalsContact C-CD 3.48Å
391G73.8Confident79Confident63 Ų6375.7 Ų75.765%0.64946%0.459SS*.THydrogen-bonded Turntrans-155.90.1-174.300000117.5R389R389-G391 VanDerWaalsContact C-N 3.3Å; R389-G391 PolarHBondContact O-N 3.43Å
392H86.2Confident78.4Confident64 Ų6471 Ų7130%0.29644%0.437SS..SBendtrans-107.5150.7179.3-59.5167.6000112.8C371 T373 C374 C388 L394C371-H392 VanDerWaalsContact SG-CB 3.55Å; T373-H392 HydrophobicContact CG2-CB 4.4Å; T373-H392 VanDerWaalsContact CG2-CD2 3.49Å; T373-H392 WeakPolarHBondContact CG2-CD2 3.45Å; T373-H392 WeakPolarHBondContact OG1-CA 3.36Å; C374-H392 PolarHBondContact SG-CE1 2.88Å; C374-H392 PolarHBondContact SG-ND1 3Å; C388-H392 WeakPolarHBondContact CA-ND1 3.24Å; C388-H392 HydrophobicContact CB-CB 4.23Å; C388-H392 WeakPolarHBondContact O-CA 3.33Å; C388-H392 WeakPolarHBondContact O-CB 3.41Å; C388-H392 PolarHBondContact O-N 2.84Å; C388-H392 PolarHBondContact SG-ND1 3.44Å; H392-L394 PolarHBondContact O-N 3.36Å; H392-L394 VanDerWaalsContact O-N 3.09Å
393S82.6Confident78.1Confident74 Ų7473.6 Ų73.652%0.51745%0.446SS..  trans-75.497173.4-58.80000109.7D372 T373D372-S393 PolarHBondContact N-O 3.22Å; T373-S393 PolarHBondContact OG1-N 3.19Å
394L84.1Confident77.9Confident54 Ų5475.6 Ų75.628%0.28343%0.432SS..EExtended strand (participates in β ladder)trans-96.8131.1177.8-66.7173.9000111.1C370 C371 L385 C388 R389 H392C370-L394 CarbonylContact O-C 3.58Å; C370-L394 WeakPolarHBondContact O-CA 3.21Å; C371-L394 HydrophobicContact CB-CD2 3.66Å; L385-L394 HydrophobicContact CD2-CD2 4.43Å; C388-L394 HydrophobicContact CB-CD1 4.28Å; C388-L394 HydrophobicContact CB-CD2 4.01Å; C388-L394 HydrophobicContact CB-CG 4.48Å; R389-L394 HydrophobicContact CB-CD1 4.44Å; R389-L394 HydrophobicContact CG-CD1 3.74Å; H392-L394 PolarHBondContact O-N 3.36Å; H392-L394 VanDerWaalsContact O-N 3.09Å
395R83.4Confident77.7Confident124 Ų12479 Ų7947%0.46845%0.445SS..EExtended strand (participates in β ladder)trans-115125.2175-169.3-176.5-51.4-151.81.9110.2L369 C370 D372L369-R395 CarbonylContact C-O 3.59Å; L369-R395 WeakPolarHBondContact CA-O 3.44Å; C370-R395 HydrophobicContact CB-CB 4.41Å; C370-R395 PolarHBondContact N-O 2.78Å; C370-R395 PolarHBondContact O-N 3.28Å; D372-R395 IonicContact OD2-CZ 3.56Å; D372-R395 IonicContact OD2-NE 3.09Å; D372-R395 IonicContact OD2-NH2 2.6Å; D372-R395 PolarHBondContact OD2-NH2 3.34Å
396V85.2Confident77.5Confident87 Ų8780 Ų8053%0.52745%0.448SS..EExtended strand (participates in β ladder)trans-79130.5174.1-176.50000109.1L369 L398L369-V396 HydrophobicContact CD2-CG2 3.82Å; V396-L398 HydrophobicContact CG1-CD2 3.98Å
397L81.9Confident77.3Confident0 Ų077 Ų770%043%0.427CS..  trans-91.2110.9176.6-58.1-178.7000109.6P367 T368 C370 Q402 R403 W406P367-L397 HydrophobicContact CB-CD1 4.19Å; P367-L397 HydrophobicContact CG-CD1 4.02Å; T368-L397 PolarHBondContact O-N 3.48Å; C370-L397 HydrophobicContact CB-CD2 4.28Å; C370-L397 HydrophobicContact CB-CG 4.48Å; L397-Q402 HydrophobicContact CD2-CG 4.29Å; L397-R403 HydrophobicContact CB-CG 3.83Å; L397-R403 PolarHBondContact O-NE 3.49Å; L397-R403 VanDerWaalsContact O-NE 3.11Å; L397-W406 HydrophobicContact CD1-CB 3.8Å; L397-W406 HydrophobicContact CD1-CG 3.91Å; L397-W406 VanDerWaalsContact CD2-CD1 3.48Å; L397-W406 HydrophobicContact CD2-CD2 4.37Å; L397-W406 HydrophobicContact CD2-CG 3.98Å
398L73.3Confident77Confident130 Ų13079.6 Ų79.668%0.68143%0.427SS*.  trans-95.5124.4-176.4-60.7175.4000109.7V396 Q402V396-L398 HydrophobicContact CG1-CD2 3.98Å; L398-Q402 WeakPolarHBondContact O-CB 3.38Å; L398-Q402 PolarHBondContact O-OE1 3.42Å
399G74.3Confident76.7Confident44 Ų4485 Ų8545%0.45445%0.447SS..SBendtrans80.2144178.500000114.4A401 Q402 R403G399-A401 VanDerWaalsContact C-N 3.28Å; G399-A401 PolarHBondContact O-N 3.19Å; G399-Q402 PolarHBondContact O-N 2.87Å; G399-R403 WeakPolarHBondContact O-CG 3.47Å; G399-R403 PolarHBondContact O-N 2.9Å
400D69.8Low76.3Confident88 Ų8876.8 Ų76.847%0.47142%0.416SS..Hα-helixtrans-67-27.5-171.7-71.5-13.7000113.8L366 R403 R404L366-D400 HydrophobicContact CD1-CB 4.03Å; D400-R403 PolarHBondContact O-N 3.38Å; D400-R403 IonicContact OD1-CZ 3.64Å; D400-R403 IonicContact OD1-NH1 2.91Å; D400-R403 PolarHBondContact OD1-NH1 3.24Å; D400-R403 VanDerWaalsContact OD1-NH1 3.11Å; D400-R404 WeakPolarHBondContact O-CB 3.17Å; D400-R404 VanDerWaalsContact O-CG 3.3Å; D400-R404 WeakPolarHBondContact O-CG 3.32Å; D400-R404 PolarHBondContact O-N 3.11Å
401A62.5Low76.2Confident81 Ų8176.2 Ų76.267%0.66940%0.403SS*.Hα-helixtrans-62.4-44.1173.900000111.9G399 L405G399-A401 VanDerWaalsContact C-N 3.28Å; G399-A401 PolarHBondContact O-N 3.19Å; A401-L405 WeakPolarHBondContact O-CB 3.06Å; A401-L405 PolarHBondContact O-N 3.11Å; A401-L405 VanDerWaalsContact O-N 3.12Å
402Q68.4Low75.7Confident79 Ų7978.3 Ų78.337%0.36940%0.397SS..Hα-helixtrans-67.1-41.4178.2-168.3178.151.100110.9L397 L398 G399 R404 L405 W406L397-Q402 HydrophobicContact CD2-CG 4.29Å; L398-Q402 WeakPolarHBondContact O-CB 3.38Å; L398-Q402 PolarHBondContact O-OE1 3.42Å; G399-Q402 PolarHBondContact O-N 2.87Å; Q402-R404 PolarHBondContact O-N 2.95Å; Q402-L405 PolarHBondContact O-N 3.15Å; Q402-W406 VanDerWaalsContact O-CD1 3.28Å; Q402-W406 PolarHBondContact O-N 3.09Å; Q402-W406 VanDerWaalsContact O-N 3.08Å
403R79.1Confident74.8Confident65 Ų6576 Ų7625%0.24539%0.388CS..Hα-helixtrans-63.5-41.3179.3-58.5177.2178.5168.9-10.7112.5L366 P367 L397 G399 D400 L407L366-R403 HydrophobicContact CB-CB 3.91Å; L366-R403 HydrophobicContact CD1-CB 4.23Å; L366-R403 HydrophobicContact CD2-CB 4.42Å; L366-R403 HydrophobicContact CG-CB 4.42Å; P367-R403 HydrophobicContact CG-CB 4.48Å; P367-R403 WeakPolarHBondContact CG-O 3.47Å; P367-R403 WeakPolarHBondContact O-CB 3.43Å; P367-R403 VanDerWaalsContact O-CD 3.29Å; P367-R403 WeakPolarHBondContact O-CD 3.39Å; P367-R403 WeakPolarHBondContact O-CG 3.48Å; L397-R403 HydrophobicContact CB-CG 3.83Å; L397-R403 PolarHBondContact O-NE 3.49Å; L397-R403 VanDerWaalsContact O-NE 3.11Å; G399-R403 WeakPolarHBondContact O-CG 3.47Å; G399-R403 PolarHBondContact O-N 2.9Å; D400-R403 PolarHBondContact O-N 3.38Å; D400-R403 IonicContact OD1-CZ 3.64Å; D400-R403 IonicContact OD1-NH1 2.91Å; D400-R403 PolarHBondContact OD1-NH1 3.24Å; D400-R403 VanDerWaalsContact OD1-NH1 3.11Å; R403-L407 WeakPolarHBondContact O-CB 3.35Å; R403-L407 PolarHBondContact O-N 3.1Å; R403-L407 VanDerWaalsContact O-N 3.08Å
404R77Confident74Confident143 Ų14375.1 Ų75.154%0.5438%0.379SS..Hα-helixtrans-64.8-41.9175.6-73.4175-166.4-83.5-0.1112L366 D400 Q402 L407 Q408L366-R404 HydrophobicContact CD1-CG 4.23Å; L366-R404 HydrophobicContact CD2-CB 4.46Å; L366-R404 HydrophobicContact CD2-CG 3.49Å; L366-R404 VanDerWaalsContact CD2-CG 3.49Å; D400-R404 WeakPolarHBondContact O-CB 3.17Å; D400-R404 VanDerWaalsContact O-CG 3.3Å; D400-R404 WeakPolarHBondContact O-CG 3.32Å; D400-R404 PolarHBondContact O-N 3.11Å; Q402-R404 PolarHBondContact O-N 2.95Å; R404-L407 PolarHBondContact O-N 2.86Å; R404-Q408 WeakPolarHBondContact O-CB 3.37Å; R404-Q408 WeakPolarHBondContact O-CG 3.33Å; R404-Q408 PolarHBondContact O-N 2.83Å
405L73.4Confident73Confident102 Ų10279.3 Ų79.353%0.53440%0.401SS..Hα-helixtrans-62.8-44179-171.6150.6000111.9A401 Q402 Q408 R409A401-L405 WeakPolarHBondContact O-CB 3.06Å; A401-L405 PolarHBondContact O-N 3.11Å; A401-L405 VanDerWaalsContact O-N 3.12Å; Q402-L405 PolarHBondContact O-N 3.15Å; L405-Q408 PolarHBondContact O-N 3.06Å; L405-R409 WeakPolarHBondContact O-CB 3.08Å; L405-R409 PolarHBondContact O-N 2.79Å
406W75.4Confident71.6Confident25 Ų2578.4 Ų78.410%0.09541%0.405CS..Hα-helixtrans-66.5-38.3176.1-83.593.8000112.5Y355 C370 L377 L397 Q402 R409 A410Y355-W406 AromaticContact CD1-CZ3 3.89Å; Y355-W406 HydrophobicContact CD1-CZ3 3.89Å; Y355-W406 AromaticContact CD2-CZ3 3.84Å; Y355-W406 HydrophobicContact CD2-CZ3 3.84Å; Y355-W406 HydrophobicContact CE1-CH2 4.38Å; Y355-W406 AromaticContact CE1-CZ3 3.81Å; Y355-W406 HydrophobicContact CE1-CZ3 3.81Å; Y355-W406 HydrophobicContact CE2-CH2 4.18Å; Y355-W406 AromaticContact CE2-CZ3 3.74Å; Y355-W406 HydrophobicContact CE2-CZ3 3.74Å; Y355-W406 HydrophobicContact CG-CE3 4.5Å; Y355-W406 AromaticContact CG-CZ3 3.92Å; Y355-W406 HydrophobicContact CG-CZ3 3.92Å; Y355-W406 AromaticContact CZ-CZ3 3.73Å; C370-W406 VanDerWaalsContact SG-CZ3 3.56Å; L377-W406 HydrophobicContact CD1-CB 4.19Å; L377-W406 VanDerWaalsContact CD1-O 3.24Å; L377-W406 WeakPolarHBondContact CD1-O 3.26Å; L377-W406 HydrophobicContact CD2-CB 4.25Å; L377-W406 HydrophobicContact CD2-CE3 3.99Å; L397-W406 HydrophobicContact CD1-CB 3.8Å; L397-W406 HydrophobicContact CD1-CG 3.91Å; L397-W406 VanDerWaalsContact CD2-CD1 3.48Å; L397-W406 HydrophobicContact CD2-CD2 4.37Å; L397-W406 HydrophobicContact CD2-CG 3.98Å; Q402-W406 VanDerWaalsContact O-CD1 3.28Å; Q402-W406 PolarHBondContact O-N 3.09Å; Q402-W406 VanDerWaalsContact O-N 3.08Å; W406-R409 PolarHBondContact O-N 2.91Å; W406-A410 PolarHBondContact O-N 3.45Å
407L77.4Confident70.4Confident27 Ų2781.3 Ų81.314%0.14141%0.407CS..Hα-helixtrans-63.2-45.1174.5-174.963.6000111.9L361 L366 P367 R403 R404 R409 A410 Q411L361-L407 HydrophobicContact CD1-CD1 4.43Å; L366-L407 HydrophobicContact CD2-CD2 4.35Å; P367-L407 HydrophobicContact CG-CB 4.26Å; R403-L407 WeakPolarHBondContact O-CB 3.35Å; R403-L407 PolarHBondContact O-N 3.1Å; R403-L407 VanDerWaalsContact O-N 3.08Å; R404-L407 PolarHBondContact O-N 2.86Å; L407-R409 VanDerWaalsContact C-N 3.34Å; L407-R409 PolarHBondContact O-N 3.37Å; L407-A410 PolarHBondContact O-N 3.17Å; L407-Q411 VanDerWaalsContact O-CG 3.28Å; L407-Q411 WeakPolarHBondContact O-CG 3.38Å; L407-Q411 PolarHBondContact O-N 3.35Å
408Q72.6Confident68.9Low128 Ų12884.6 Ų84.660%0.59843%0.43SS*.Hα-helixtrans-62.4-41.2176.3-76.3176.4-28.600111.9R404 L405 Q411 M412R404-Q408 WeakPolarHBondContact O-CB 3.37Å; R404-Q408 WeakPolarHBondContact O-CG 3.33Å; R404-Q408 PolarHBondContact O-N 2.83Å; L405-Q408 PolarHBondContact O-N 3.06Å; Q408-Q411 PolarHBondContact O-N 3.47Å; Q408-M412 WeakPolarHBondContact O-CB 3.36Å; Q408-M412 PolarHBondContact O-N 3.13Å
409R72.6Confident67.2Low120 Ų12082.2 Ų82.245%0.45343%0.425SS..Hα-helixtrans-60.6-46.5174.8-177.2176.7-179.9165.32.7111.9L405 W406 L407 Q411 M412 D413L405-R409 WeakPolarHBondContact O-CB 3.08Å; L405-R409 PolarHBondContact O-N 2.79Å; W406-R409 PolarHBondContact O-N 2.91Å; L407-R409 VanDerWaalsContact C-N 3.34Å; L407-R409 PolarHBondContact O-N 3.37Å; R409-Q411 VanDerWaalsContact C-N 3.33Å; R409-Q411 PolarHBondContact O-N 2.85Å; R409-M412 PolarHBondContact O-N 3.16Å; R409-D413 WeakPolarHBondContact O-CB 3.29Å; R409-D413 VanDerWaalsContact O-CG 3.26Å; R409-D413 PolarHBondContact O-N 3.22Å
410A72Confident65.5Low0 Ų087.1 Ų87.10%045%0.448CS..Hα-helixtrans-67.2-33.3178.300000113Y355 L377 W406 L407 T414Y355-A410 VanDerWaalsContact O-CA 3.26Å; Y355-A410 WeakPolarHBondContact O-CA 3.4Å; Y355-A410 WeakPolarHBondContact O-CB 3.49Å; L377-A410 HydrophobicContact CD1-CB 3.51Å; L377-A410 HydrophobicContact CG-CB 4.37Å; W406-A410 PolarHBondContact O-N 3.45Å; L407-A410 PolarHBondContact O-N 3.17Å; A410-T414 WeakPolarHBondContact O-CB 3.33Å; A410-T414 PolarHBondContact O-N 3.09Å; A410-T414 PolarHBondContact O-OG1 3.23Å
411Q74.6Confident64.2Low103 Ų10386.5 Ų86.548%0.48146%0.463SS..Hα-helixtrans-65.7-43.5172.4-73.5170.4-7.800111.4L407 Q408 R409 T414 L415L407-Q411 VanDerWaalsContact O-CG 3.28Å; L407-Q411 WeakPolarHBondContact O-CG 3.38Å; L407-Q411 PolarHBondContact O-N 3.35Å; Q408-Q411 PolarHBondContact O-N 3.47Å; R409-Q411 VanDerWaalsContact C-N 3.33Å; R409-Q411 PolarHBondContact O-N 2.85Å; Q411-T414 WeakPolarHBondContact O-CB 3.13Å; Q411-T414 PolarHBondContact O-N 3.03Å; Q411-L415 WeakPolarHBondContact O-CG 3.49Å; Q411-L415 PolarHBondContact O-N 2.92Å
412M64.6Low63.2Low106 Ų10686.4 Ų86.452%0.52246%0.462SS..Hα-helixtrans-63-45.2175.6-168.3-174.773.100111.3Q408 R409 T414 L415 L416Q408-M412 WeakPolarHBondContact O-CB 3.36Å; Q408-M412 PolarHBondContact O-N 3.13Å; R409-M412 PolarHBondContact O-N 3.16Å; M412-T414 VanDerWaalsContact C-N 3.29Å; M412-T414 PolarHBondContact O-N 2.86Å; M412-L415 PolarHBondContact O-N 3.09Å; M412-L415 VanDerWaalsContact O-N 3.15Å; M412-L416 HydrophobicContact CE-CD1 4.35Å; M412-L416 HydrophobicContact CG-CD1 4.04Å; M412-L416 VanDerWaalsContact O-CG 3.24Å; M412-L416 WeakPolarHBondContact O-CG 3.1Å; M412-L416 PolarHBondContact O-N 3.39Å
413D66.4Low61.3Low17 Ų1793.9 Ų93.99%0.09149%0.487CS..Hα-helixtrans-60.4-39174.9-71.1-18.7000111.3G354 Y355 R409 L415 L416 Y417G354-D413 WeakPolarHBondContact CA-OD2 3.49Å; Y355-D413 PolarHBondContact N-OD2 3.41Å; Y355-D413 WeakPolarHBondContact O-CB 3.45Å; R409-D413 WeakPolarHBondContact O-CB 3.29Å; R409-D413 VanDerWaalsContact O-CG 3.26Å; R409-D413 PolarHBondContact O-N 3.22Å; D413-L415 PolarHBondContact O-N 3.01Å; D413-L416 PolarHBondContact O-N 3.45Å; D413-Y417 HydrophobicContact CB-CD2 4.43Å; D413-Y417 WeakPolarHBondContact O-CB 3.2Å; D413-Y417 WeakPolarHBondContact O-CD2 3.42Å; D413-Y417 PolarHBondContact O-N 2.96Å
414T66.8Low59.7Low54 Ų54100.6 Ų100.633%0.33154%0.539SS..Hα-helixtrans-64.1-41.9175.3-55.30000111.4A410 Q411 M412 L416 S418A410-T414 WeakPolarHBondContact O-CB 3.33Å; A410-T414 PolarHBondContact O-N 3.09Å; A410-T414 PolarHBondContact O-OG1 3.23Å; Q411-T414 WeakPolarHBondContact O-CB 3.13Å; Q411-T414 PolarHBondContact O-N 3.03Å; M412-T414 VanDerWaalsContact C-N 3.29Å; M412-T414 PolarHBondContact O-N 2.86Å; T414-L416 VanDerWaalsContact C-N 3.35Å; T414-S418 WeakPolarHBondContact CG2-OG 3.49Å; T414-S418 WeakPolarHBondContact O-CA 3.36Å; T414-S418 WeakPolarHBondContact O-CB 3.4Å; T414-S418 PolarHBondContact O-N 2.91Å; T414-S418 PolarHBondContact O-OG 2.99Å
415L62.6Low58.9Low142 Ų14298.5 Ų98.574%0.74354%0.539SS*.Hα-helixtrans-67.5-34.7178-69.3170.8000112.7Q411 M412 D413Q411-L415 WeakPolarHBondContact O-CG 3.49Å; Q411-L415 PolarHBondContact O-N 2.92Å; M412-L415 PolarHBondContact O-N 3.09Å; M412-L415 VanDerWaalsContact O-N 3.15Å; D413-L415 PolarHBondContact O-N 3.01Å
416L53.8Low58.1Low106 Ų10698.3 Ų98.356%0.55554%0.539SS*.Hα-helixtrans-76.6-33-179.9-68171.3000112.7M412 D413 T414M412-L416 HydrophobicContact CE-CD1 4.35Å; M412-L416 HydrophobicContact CG-CD1 4.04Å; M412-L416 VanDerWaalsContact O-CG 3.24Å; M412-L416 WeakPolarHBondContact O-CG 3.1Å; M412-L416 PolarHBondContact O-N 3.39Å; D413-L416 PolarHBondContact O-N 3.45Å; T414-L416 VanDerWaalsContact C-N 3.35Å
417Y58.7Low57.1Low147 Ų147102.3 Ų102.358%0.57656%0.564SS**Hα-helixtrans-117.2-2.5-169.6-59.8-70000115.4D413D413-Y417 HydrophobicContact CB-CD2 4.43Å; D413-Y417 WeakPolarHBondContact O-CB 3.2Å; D413-Y417 WeakPolarHBondContact O-CD2 3.42Å; D413-Y417 PolarHBondContact O-N 2.96Å
418S51Low55.9Low70 Ų70106.8 Ų106.849%0.4959%0.589SS.*  trans-104.226.8179.9-43.50000114.2T414T414-S418 WeakPolarHBondContact CG2-OG 3.49Å; T414-S418 WeakPolarHBondContact O-CA 3.36Å; T414-S418 WeakPolarHBondContact O-CB 3.4Å; T414-S418 PolarHBondContact O-N 2.91Å; T414-S418 PolarHBondContact O-OG 2.99Å
419S37.4Very low54.9Low80 Ų80105.4 Ų105.456%0.55959%0.588SS**SBendtrans-67.1134.9163.1-75.10000109.1G421S419-G421 PolarHBondContact O-N 2.75Å
420P39.5Very low53.7Low146 Ų146104.5 Ų104.595%0.94860%0.597SS**THydrogen-bonded Turntrans-72.328.5-172.629.9-34.7000114.5
421G41.6Very low52.4Low76 Ų76111.9 Ų111.978%0.78464%0.64SS**THydrogen-bonded Turntrans-127.13.9-178.700000115.2S419S419-G421 PolarHBondContact O-N 2.75Å
422A41.2Very low50.7Low79 Ų79112.6 Ų112.665%0.65365%0.652SS**  trans-120.683.1179.800000111.1
423R30Very low49.5Very low236 Ų236113.2 Ų113.289%0.89166%0.663SS**  trans-131.8144.7148.1-78.7-168.6177.8-171.1-0.1107.1
424P45.4Very low48Very low205 Ų205121.9 Ų121.9100%1.33172%0.715SS**  trans-59.60-164.525.3-35.9000114.2

Retrieved 424 of 424 residues in 154.1 ms (Link to these results)

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