A0A077Z6F6_TRITR Loading...

histidine kinase

AlphaFold DB , UniProt , Accession A0A077Z6F6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 463 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
1M68.8Low83.9Confident75 Ų7539.6 Ų39.637%0.36922%0.22SC..  0-19.30-64.3-173.5-134.500115V3 L4 W93 E99 N102 L106M1-V3 PolarHBondContact O-N 3.16Å; M1-L4 VanDerWaalsContact O-CB 3.31Å; M1-L4 WeakPolarHBondContact O-CB 3.32Å; M1-L4 PolarHBondContact O-N 3.45Å; M1-W93 HydrophobicContact CG-CH2 4.2Å; M1-W93 HydrophobicContact CG-CZ3 4.23Å; M1-W93 HydrophobicContact SD-CZ3 4.4Å; M1-E99 HydrophobicContact CE-CB 3.69Å; M1-E99 HydrophobicContact CE-CG 3.61Å; M1-E99 HydrophobicContact SD-CB 4.49Å; M1-N102 HydrophobicContact SD-CB 4.05Å; M1-L106 HydrophobicContact CB-CD1 3.52Å; M1-L106 HydrophobicContact SD-CD1 4.41Å
2A75Confident84.5Confident78 Ų7836.3 Ų36.365%0.64520%0.202SC*.G310 helixtrans-53.9-23.1-178.200000115.5L4 L5A2-L4 PolarHBondContact O-N 2.88Å; A2-L5 WeakPolarHBondContact O-CB 3.32Å; A2-L5 PolarHBondContact O-N 3.14Å
3V78.1Confident84.9Confident19 Ų1933.6 Ų33.612%0.11519%0.187CC..G310 helixtrans-55.3-27.5171-177.20000113.1M1 L5 P7 I34 L37 L43 L49M1-V3 PolarHBondContact O-N 3.16Å; V3-L5 PolarHBondContact O-N 3.35Å; V3-P7 HydrophobicContact CG1-CG 4.31Å; V3-P7 VanDerWaalsContact O-CD 3.31Å; V3-P7 WeakPolarHBondContact O-CD 3.24Å; V3-I34 HydrophobicContact CG1-CD1 4.43Å; V3-I34 HydrophobicContact CG1-CG1 3.8Å; V3-L37 HydrophobicContact CG2-CD1 3.78Å; V3-L43 HydrophobicContact CG2-CD1 3.92Å; V3-L49 HydrophobicContact CG1-CD1 4.46Å
4L82Confident85.3Confident3 Ų335.6 Ų35.62%0.01620%0.197CC..G310 helixtrans-75.4-7.2176.9-68.1175.3000114.1M1 A2 F8 L49 Q89 W93 A103 L106 T107M1-L4 VanDerWaalsContact O-CB 3.31Å; M1-L4 WeakPolarHBondContact O-CB 3.32Å; M1-L4 PolarHBondContact O-N 3.45Å; A2-L4 PolarHBondContact O-N 2.88Å; L4-F8 WeakPolarHBondContact O-CB 3.37Å; L4-L49 HydrophobicContact CD2-CD2 3.45Å; L4-L49 VanDerWaalsContact CD2-CD2 3.45Å; L4-L49 HydrophobicContact CG-CD2 3.94Å; L4-Q89 HydrophobicContact CD2-CG 4.07Å; L4-W93 HydrophobicContact CD1-CZ2 3.98Å; L4-A103 HydrophobicContact CD1-CB 3.73Å; L4-L106 HydrophobicContact CB-CB 4.03Å; L4-T107 HydrophobicContact CB-CG2 3.87Å; L4-T107 HydrophobicContact CD1-CG2 4.3Å; L4-T107 HydrophobicContact CD2-CG2 3.83Å; L4-T107 HydrophobicContact CG-CG2 4.22Å
5L84.7Confident85.7Confident44 Ų4433.3 Ų33.323%0.2318%0.184CC..THydrogen-bonded Turntrans-92.2-77.2179.9-171.377.7000111A2 V3 G9 L106 T109 G110 L219A2-L5 WeakPolarHBondContact O-CB 3.32Å; A2-L5 PolarHBondContact O-N 3.14Å; V3-L5 PolarHBondContact O-N 3.35Å; L5-G9 PolarHBondContact O-N 3.3Å; L5-G9 VanDerWaalsContact O-N 3.11Å; L5-L106 HydrophobicContact CB-CD2 4.19Å; L5-L106 HydrophobicContact CD1-CD2 4.3Å; L5-T109 HydrophobicContact CD1-CG2 4.01Å; L5-G110 WeakPolarHBondContact O-CA 3.49Å; L5-L219 HydrophobicContact CD1-CD2 3.84Å
6F86.3Confident85.9Confident122 Ų12231.8 Ų31.854%0.53518%0.175SC..Hα-helixtrans-77.4-55.2-169.8179.4-90.5000114.1F8 G9 L10 L114F6-F8 VanDerWaalsContact C-N 3.31Å; F6-F8 PolarHBondContact O-N 2.85Å; F6-G9 PolarHBondContact O-N 3.2Å; F6-L10 HydrophobicContact CE1-CD2 4.08Å; F6-L10 HydrophobicContact CZ-CD2 4.15Å; F6-L10 WeakPolarHBondContact O-CB 3.4Å; F6-L10 PolarHBondContact O-N 3.1Å; F6-L114 HydrophobicContact CB-CD1 4.21Å; F6-L114 HydrophobicContact CD2-CD1 3.58Å; F6-L114 HydrophobicContact CD2-CD2 4.19Å; F6-L114 HydrophobicContact CE2-CD1 4.27Å; F6-L114 HydrophobicContact CE2-CD2 4.28Å; F6-L114 HydrophobicContact CG-CD1 4.15Å
7P87.6Confident86Confident20 Ų2030.5 Ų30.513%0.1317%0.168CC..Hα-helixtrans-54.1-47177.2-27.234.2000113.1V3 R11 L33V3-P7 HydrophobicContact CG1-CG 4.31Å; V3-P7 VanDerWaalsContact O-CD 3.31Å; V3-P7 WeakPolarHBondContact O-CD 3.24Å; P7-R11 WeakPolarHBondContact O-CB 3.48Å; P7-R11 PolarHBondContact O-N 2.95Å; P7-L33 HydrophobicContact CB-CD2 3.97Å; P7-L33 HydrophobicContact CG-CD2 3.79Å
8F88.5Confident86.1Confident1 Ų131.1 Ų31.10%0.00417%0.173CC..Hα-helixtrans-61.8-51.1179.2175.5-100.5000112.5L4 F6 R11 L12 T56 Q89 T107L4-F8 WeakPolarHBondContact O-CB 3.37Å; F6-F8 VanDerWaalsContact C-N 3.31Å; F6-F8 PolarHBondContact O-N 2.85Å; F8-R11 PolarHBondContact O-N 3.25Å; F8-L12 HydrophobicContact CD1-CD1 4.16Å; F8-L12 HydrophobicContact CE1-CD1 3.45Å; F8-L12 VanDerWaalsContact CE1-CD1 3.45Å; F8-L12 HydrophobicContact CE1-CG 4.43Å; F8-L12 HydrophobicContact CE2-CD1 3.9Å; F8-L12 HydrophobicContact CE2-CG 4.34Å; F8-L12 HydrophobicContact CZ-CD1 3.32Å; F8-L12 HydrophobicContact CZ-CG 4.23Å; F8-L12 PolarHBondContact O-N 3.2Å; F8-T56 HydrophobicContact CE2-CG2 3.78Å; F8-T56 HydrophobicContact CZ-CG2 4.26Å; F8-Q89 HydrophobicContact CD2-CG 4.04Å; F8-Q89 HydrophobicContact CE2-CB 3.72Å; F8-Q89 HydrophobicContact CE2-CG 3.55Å; F8-Q89 HydrophobicContact CZ-CB 3.9Å; F8-Q89 HydrophobicContact CZ-CG 4.07Å; F8-T107 HydrophobicContact CD1-CG2 4.2Å; F8-T107 HydrophobicContact CE1-CG2 4.08Å; F8-T107 VanDerWaalsContact CE1-O 3.32Å; F8-T107 WeakPolarHBondContact CE1-O 3.39Å; F8-T107 HydrophobicContact CG-CG2 4.48Å; F8-T107 HydrophobicContact CZ-CG2 4.23Å
9G89.5Confident86.1Confident0 Ų033.5 Ų33.50%019%0.191CC..Hα-helixtrans-63.4-43.7-178.700000112.9L5 F6 L12 G13 G110L5-G9 PolarHBondContact O-N 3.3Å; L5-G9 VanDerWaalsContact O-N 3.11Å; F6-G9 PolarHBondContact O-N 3.2Å; G9-L12 PolarHBondContact O-N 3.13Å; G9-G13 PolarHBondContact O-N 3.02Å; G9-G110 WeakPolarHBondContact CA-O 3.32Å
10L90.7Very high86.2Confident65 Ų6538 Ų3834%0.3420%0.204SC..Hα-helixtrans-62.5-46.3177.2-177.365.7000111.3F6 G13 L14F6-L10 HydrophobicContact CE1-CD2 4.08Å; F6-L10 HydrophobicContact CZ-CD2 4.15Å; F6-L10 WeakPolarHBondContact O-CB 3.4Å; F6-L10 PolarHBondContact O-N 3.1Å; L10-G13 PolarHBondContact O-N 3.25Å; L10-L14 HydrophobicContact CD1-CD1 4.28Å; L10-L14 HydrophobicContact CD1-CG 4.43Å; L10-L14 HydrophobicContact CG-CD1 4.05Å; L10-L14 WeakPolarHBondContact O-CG 3.35Å; L10-L14 PolarHBondContact O-N 3.39Å
11R91.5Very high86.3Confident9 Ų939.3 Ų39.33%0.03423%0.227CC..Hα-helixtrans-58-51.8177177.1-17061.5133.514.7111.4P7 F8 G13 L14 M15 E30 S53 T56P7-R11 WeakPolarHBondContact O-CB 3.48Å; P7-R11 PolarHBondContact O-N 2.95Å; F8-R11 PolarHBondContact O-N 3.25Å; R11-G13 VanDerWaalsContact C-N 3.3Å; R11-G13 PolarHBondContact O-N 2.9Å; R11-L14 PolarHBondContact O-N 3.44Å; R11-M15 HydrophobicContact CG-CG 4.07Å; R11-M15 HydrophobicContact CG-SD 3.76Å; R11-M15 WeakPolarHBondContact O-CB 3.34Å; R11-M15 VanDerWaalsContact O-CG 3.23Å; R11-M15 WeakPolarHBondContact O-CG 3.07Å; R11-M15 PolarHBondContact O-N 3.29Å; R11-E30 WeakPolarHBondContact CD-OE2 3.3Å; R11-E30 IonicContact CZ-OE1 3.23Å; R11-E30 IonicContact CZ-OE2 2.95Å; R11-E30 VanDerWaalsContact NE-CD 3.27Å; R11-E30 IonicContact NE-OE1 3.56Å; R11-E30 PolarHBondContact NE-OE1 2.93Å; R11-E30 VanDerWaalsContact NE-OE1 3.09Å; R11-E30 IonicContact NE-OE2 3.09Å; R11-E30 PolarHBondContact NE-OE2 3.01Å; R11-E30 IonicContact NH1-OE2 3.63Å; R11-E30 PolarHBondContact NH1-OE2 3.18Å; R11-S53 VanDerWaalsContact NH1-CB 3.34Å; R11-S53 PolarHBondContact NH1-O 2.88Å; R11-T56 PolarHBondContact NH1-OG1 3.04Å; R11-T56 PolarHBondContact NH2-OG1 3.42Å
12L90.8Very high87.3Confident0 Ų042.5 Ų42.50%024%0.236CC..Hα-helixtrans-59.9-42-179.5-72.3-176.7000112F8 G9 M15 L16 V60 L82 A85F8-L12 HydrophobicContact CD1-CD1 4.16Å; F8-L12 HydrophobicContact CE1-CD1 3.45Å; F8-L12 VanDerWaalsContact CE1-CD1 3.45Å; F8-L12 HydrophobicContact CE1-CG 4.43Å; F8-L12 HydrophobicContact CE2-CD1 3.9Å; F8-L12 HydrophobicContact CE2-CG 4.34Å; F8-L12 HydrophobicContact CZ-CD1 3.32Å; F8-L12 HydrophobicContact CZ-CG 4.23Å; F8-L12 PolarHBondContact O-N 3.2Å; G9-L12 PolarHBondContact O-N 3.13Å; L12-M15 PolarHBondContact O-N 3.45Å; L12-L16 WeakPolarHBondContact O-CB 3.3Å; L12-L16 WeakPolarHBondContact O-CG 3.29Å; L12-L16 PolarHBondContact O-N 2.9Å; L12-V60 HydrophobicContact CD2-CG2 3.76Å; L12-L82 HydrophobicContact CB-CD2 3.83Å; L12-L82 HydrophobicContact CD1-CD2 3.93Å; L12-A85 HydrophobicContact CD1-CB 3.81Å; L12-A85 HydrophobicContact CD2-CB 4.2Å
13G90Very high88.1Confident1 Ų140 Ų401%0.0121%0.21CC..Hα-helixtrans-57-48.3174.200000113G9 L10 R11 Q17G9-G13 PolarHBondContact O-N 3.02Å; L10-G13 PolarHBondContact O-N 3.25Å; R11-G13 VanDerWaalsContact C-N 3.3Å; R11-G13 PolarHBondContact O-N 2.9Å; G13-Q17 WeakPolarHBondContact O-CG 3.46Å
14L91.4Very high88.8Confident62 Ų6243.4 Ų43.433%0.32523%0.233SC..Hα-helixtrans-67-42.6177.9-68.4173.7000112L10 R11 L16 Q17 C18 L26L10-L14 HydrophobicContact CD1-CD1 4.28Å; L10-L14 HydrophobicContact CD1-CG 4.43Å; L10-L14 HydrophobicContact CG-CD1 4.05Å; L10-L14 WeakPolarHBondContact O-CG 3.35Å; L10-L14 PolarHBondContact O-N 3.39Å; R11-L14 PolarHBondContact O-N 3.44Å; L14-L16 VanDerWaalsContact C-N 3.33Å; L14-L16 PolarHBondContact O-N 2.9Å; L14-Q17 PolarHBondContact O-N 2.88Å; L14-Q17 VanDerWaalsContact O-N 3.15Å; L14-C18 VanDerWaalsContact O-CB 3.24Å; L14-C18 WeakPolarHBondContact O-CB 3.14Å; L14-C18 PolarHBondContact O-N 3.47Å; L14-C18 PolarHBondContact O-SG 2.9Å; L14-C18 VanDerWaalsContact O-SG 3.34Å; L14-L26 HydrophobicContact CB-CD1 3.91Å; L14-L26 HydrophobicContact CB-CD2 3.98Å; L14-L26 HydrophobicContact CD1-CD2 3.8Å
15M90.7Very high89.3Confident1 Ų148 Ų481%0.00526%0.261CS..Hα-helixtrans-65.6-34-179-68.7-171.178.200113.2R11 L12 Q17 W23 L26 L27 L57 V60R11-M15 HydrophobicContact CG-CG 4.07Å; R11-M15 HydrophobicContact CG-SD 3.76Å; R11-M15 WeakPolarHBondContact O-CB 3.34Å; R11-M15 VanDerWaalsContact O-CG 3.23Å; R11-M15 WeakPolarHBondContact O-CG 3.07Å; R11-M15 PolarHBondContact O-N 3.29Å; L12-M15 PolarHBondContact O-N 3.45Å; M15-Q17 VanDerWaalsContact C-N 3.25Å; M15-Q17 PolarHBondContact O-N 3.41Å; M15-W23 HydrophobicContact CE-CB 3.68Å; M15-W23 HydrophobicContact CE-CD2 3.6Å; M15-W23 HydrophobicContact CE-CE3 3.84Å; M15-W23 HydrophobicContact CE-CG 3.56Å; M15-W23 PolarHBondContact O-NE1 3.4Å; M15-W23 VanDerWaalsContact O-NE1 3.15Å; M15-L26 HydrophobicContact CB-CD1 4.47Å; M15-L26 HydrophobicContact CG-CB 4.24Å; M15-L26 HydrophobicContact CG-CD1 3.66Å; M15-L27 HydrophobicContact CE-CG 4.48Å; M15-L57 HydrophobicContact CE-CD2 3.17Å; M15-L57 HydrophobicContact SD-CD2 4.16Å; M15-V60 HydrophobicContact CB-CG1 3.96Å
16L89.2Confident89.5Confident8 Ų847.5 Ų47.54%0.04226%0.258CS..Hα-helixtrans-66-29175.5-76.6168000112.4L12 L14 V60 Q78 A81 L82L12-L16 WeakPolarHBondContact O-CB 3.3Å; L12-L16 WeakPolarHBondContact O-CG 3.29Å; L12-L16 PolarHBondContact O-N 2.9Å; L14-L16 VanDerWaalsContact C-N 3.33Å; L14-L16 PolarHBondContact O-N 2.9Å; L16-V60 HydrophobicContact CD2-CG1 4.05Å; L16-V60 HydrophobicContact CD2-CG2 4.48Å; L16-V60 HydrophobicContact CG-CG1 4.32Å; L16-Q78 HydrophobicContact CD1-CB 4.4Å; L16-Q78 HydrophobicContact CD1-CG 4.24Å; L16-A81 HydrophobicContact CD2-CB 4.21Å; L16-L82 HydrophobicContact CD1-CD2 4.03Å; L16-L82 HydrophobicContact CD1-CG 4.23Å
17Q88Confident89.7Confident11 Ų1142.5 Ų42.55%0.05124%0.237CC..Hα-helixtrans-100-37.6-175.6-58-57.54.500114.1G13 L14 M15 R67 Q78 W122G13-Q17 WeakPolarHBondContact O-CG 3.46Å; L14-Q17 PolarHBondContact O-N 2.88Å; L14-Q17 VanDerWaalsContact O-N 3.15Å; M15-Q17 VanDerWaalsContact C-N 3.25Å; M15-Q17 PolarHBondContact O-N 3.41Å; Q17-R67 PolarHBondContact O-NH2 3.45Å; Q17-Q78 VanDerWaalsContact NE2-NE2 3.1Å; Q17-W122 HydrophobicContact CB-CB 3.98Å; Q17-W122 HydrophobicContact CB-CG 3.83Å; Q17-W122 HydrophobicContact CG-CB 3.79Å; Q17-W122 HydrophobicContact CG-CG 4.01Å
18C87.7Confident89.8Confident40 Ų4043.1 Ų43.127%0.2725%0.247SC..SBendtrans-74.4146.4-178.5-69.10000112L14 W23 L26L14-C18 VanDerWaalsContact O-CB 3.24Å; L14-C18 WeakPolarHBondContact O-CB 3.14Å; L14-C18 PolarHBondContact O-N 3.47Å; L14-C18 PolarHBondContact O-SG 2.9Å; L14-C18 VanDerWaalsContact O-SG 3.34Å; C18-W23 PolarHBondContact O-NE1 3.27Å; C18-L26 HydrophobicContact CB-CD1 4.34Å
19P86.5Confident89.9Confident78 Ų7845.9 Ų45.951%0.50627%0.27SS..  trans-55.5151.1169.5-22.831.4000112.5G21 Y22P19-G21 PolarHBondContact O-N 2.96Å; P19-Y22 HydrophobicContact CB-CD2 4.08Å; P19-Y22 HydrophobicContact CB-CE2 4.36Å; P19-Y22 HydrophobicContact CG-CD2 4.1Å; P19-Y22 HydrophobicContact CG-CE2 4.11Å; P19-Y22 PolarHBondContact O-N 3.33Å
20R86.7Confident89.9Confident122 Ų12246.7 Ų46.746%0.4627%0.274SS..G310 helixtrans-56.8-26.7-178.3-68.9-173.1179.31428.6114.5Y22 W23 A61 S64R20-Y22 PolarHBondContact O-N 3.47Å; R20-W23 HydrophobicContact CB-CD2 4.32Å; R20-W23 HydrophobicContact CG-CD2 4.15Å; R20-W23 HydrophobicContact CG-CE3 4.35Å; R20-W23 HydrophobicContact CG-CH2 4.06Å; R20-W23 HydrophobicContact CG-CZ2 3.8Å; R20-W23 HydrophobicContact CG-CZ3 4.31Å; R20-W23 WeakPolarHBondContact O-CB 3.31Å; R20-W23 PolarHBondContact O-N 3.32Å; R20-A61 PolarHBondContact NH2-O 3.4Å; R20-S64 PolarHBondContact NH2-OG 3.5Å; R20-S64 VanDerWaalsContact NH2-OG 3.08Å
21G88.4Confident89.8Confident66 Ų6647.3 Ų47.368%0.6827%0.271SS*.G310 helixtrans-61.2-27.4176.900000114.1P19P19-G21 PolarHBondContact O-N 2.96Å
22Y90.3Very high89.7Confident143 Ų14352.8 Ų52.856%0.56130%0.301SS*.G310 helixtrans-89.9-5.5179.8-62.3-78.2000113.5P19 R20 V25 L26P19-Y22 HydrophobicContact CB-CD2 4.08Å; P19-Y22 HydrophobicContact CB-CE2 4.36Å; P19-Y22 HydrophobicContact CG-CD2 4.1Å; P19-Y22 HydrophobicContact CG-CE2 4.11Å; P19-Y22 PolarHBondContact O-N 3.33Å; R20-Y22 PolarHBondContact O-N 3.47Å; Y22-V25 WeakPolarHBondContact O-CB 3.35Å; Y22-V25 PolarHBondContact O-N 3.48Å; Y22-L26 PolarHBondContact O-N 3.03Å; Y22-L26 VanDerWaalsContact O-N 3.09Å
23W91.7Very high89.6Confident24 Ų2456 Ų569%0.09132%0.317CS..Hα-helixtrans-62.5-41.5-176.6-68.29.1000114M15 C18 R20 V25 L26 L27 L57 V60 A61M15-W23 HydrophobicContact CE-CB 3.68Å; M15-W23 HydrophobicContact CE-CD2 3.6Å; M15-W23 HydrophobicContact CE-CE3 3.84Å; M15-W23 HydrophobicContact CE-CG 3.56Å; M15-W23 PolarHBondContact O-NE1 3.4Å; M15-W23 VanDerWaalsContact O-NE1 3.15Å; C18-W23 PolarHBondContact O-NE1 3.27Å; R20-W23 HydrophobicContact CB-CD2 4.32Å; R20-W23 HydrophobicContact CG-CD2 4.15Å; R20-W23 HydrophobicContact CG-CE3 4.35Å; R20-W23 HydrophobicContact CG-CH2 4.06Å; R20-W23 HydrophobicContact CG-CZ2 3.8Å; R20-W23 HydrophobicContact CG-CZ3 4.31Å; R20-W23 WeakPolarHBondContact O-CB 3.31Å; R20-W23 PolarHBondContact O-N 3.32Å; W23-V25 VanDerWaalsContact C-N 3.25Å; W23-V25 PolarHBondContact O-N 2.99Å; W23-L26 PolarHBondContact O-N 2.96Å; W23-L27 WeakPolarHBondContact O-CG 3.3Å; W23-L27 PolarHBondContact O-N 3.49Å; W23-L57 HydrophobicContact CE3-CD2 4.37Å; W23-V60 HydrophobicContact CH2-CG1 3.9Å; W23-V60 HydrophobicContact CZ2-CG1 3.93Å; W23-A61 HydrophobicContact CH2-CB 4.18Å; W23-A61 HydrophobicContact CZ3-CB 4.04Å
24P91.9Very high89.4Confident91 Ų9156 Ų5659%0.59132%0.318SS*.Hα-helixtrans-61.4-35.2175.6-23.435.2000112.6G28P24-G28 PolarHBondContact O-N 2.89Å
25V92.5Very high89.2Confident101 Ų10159.3 Ų59.361%0.61233%0.326SS*.Hα-helixtrans-67.6-43.4177.5-179.10000110.6Y22 W23 G28 A29Y22-V25 WeakPolarHBondContact O-CB 3.35Å; Y22-V25 PolarHBondContact O-N 3.48Å; W23-V25 VanDerWaalsContact C-N 3.25Å; W23-V25 PolarHBondContact O-N 2.99Å; V25-G28 PolarHBondContact O-N 2.9Å; V25-A29 WeakPolarHBondContact O-CB 3.28Å; V25-A29 PolarHBondContact O-N 2.93Å
26L90.5Very high89.1Confident33 Ų3366.9 Ų66.917%0.17336%0.355CS..Hα-helixtrans-64.4-42.5177.5-68.5172000112.3L14 M15 C18 Y22 W23 E30L14-L26 HydrophobicContact CB-CD1 3.91Å; L14-L26 HydrophobicContact CB-CD2 3.98Å; L14-L26 HydrophobicContact CD1-CD2 3.8Å; M15-L26 HydrophobicContact CB-CD1 4.47Å; M15-L26 HydrophobicContact CG-CB 4.24Å; M15-L26 HydrophobicContact CG-CD1 3.66Å; C18-L26 HydrophobicContact CB-CD1 4.34Å; Y22-L26 PolarHBondContact O-N 3.03Å; Y22-L26 VanDerWaalsContact O-N 3.09Å; W23-L26 PolarHBondContact O-N 2.96Å; L26-E30 PolarHBondContact O-N 3.01Å; L26-E30 VanDerWaalsContact O-N 3.13Å
27L89.3Confident88.9Confident17 Ų1768.3 Ų68.39%0.08936%0.363CS..Hα-helixtrans-64.4-46.9174-72.1167.3000111.5M15 W23 A29 E30 W31 L57M15-L27 HydrophobicContact CE-CG 4.48Å; W23-L27 WeakPolarHBondContact O-CG 3.3Å; W23-L27 PolarHBondContact O-N 3.49Å; L27-A29 VanDerWaalsContact C-N 3.29Å; L27-A29 PolarHBondContact O-N 3.12Å; L27-E30 PolarHBondContact O-N 3.49Å; L27-W31 WeakPolarHBondContact O-CB 3.31Å; L27-W31 VanDerWaalsContact O-CD1 3.25Å; L27-W31 PolarHBondContact O-N 3.32Å; L27-L57 HydrophobicContact CD1-CD1 3.82Å; L27-L57 HydrophobicContact CD1-CD2 3.84Å; L27-L57 HydrophobicContact CD1-CG 4.35Å; L27-L57 HydrophobicContact CD2-CD2 4.21Å; L27-L57 HydrophobicContact CG-CD2 4.35Å
28G90.3Very high88.8Confident33 Ų3369.4 Ų69.434%0.3437%0.37SS..Hα-helixtrans-60-39.1178.400000112.6P24 V25 W31 L32P24-G28 PolarHBondContact O-N 2.89Å; V25-G28 PolarHBondContact O-N 2.9Å; G28-W31 PolarHBondContact O-N 3.3Å; G28-L32 VanDerWaalsContact O-CB 3.31Å; G28-L32 WeakPolarHBondContact O-CB 3.44Å; G28-L32 PolarHBondContact O-N 2.95Å
29A90.7Very high88.7Confident59 Ų5973.7 Ų73.749%0.48839%0.386SS..Hα-helixtrans-65.6-43.6175.700000112.4V25 L27 L33V25-A29 WeakPolarHBondContact O-CB 3.28Å; V25-A29 PolarHBondContact O-N 2.93Å; L27-A29 VanDerWaalsContact C-N 3.29Å; L27-A29 PolarHBondContact O-N 3.12Å; A29-L33 WeakPolarHBondContact O-CB 3.41Å; A29-L33 PolarHBondContact O-N 3.34Å
30E88.7Confident88.6Confident16 Ų1673 Ų738%0.07539%0.387CS..Hα-helixtrans-61.9-45.9174-176.3-174.1-133.300110.7R11 L26 L27 L32 L33 I34R11-E30 WeakPolarHBondContact CD-OE2 3.3Å; R11-E30 IonicContact CZ-OE1 3.23Å; R11-E30 IonicContact CZ-OE2 2.95Å; R11-E30 VanDerWaalsContact NE-CD 3.27Å; R11-E30 IonicContact NE-OE1 3.56Å; R11-E30 PolarHBondContact NE-OE1 2.93Å; R11-E30 VanDerWaalsContact NE-OE1 3.09Å; R11-E30 IonicContact NE-OE2 3.09Å; R11-E30 PolarHBondContact NE-OE2 3.01Å; R11-E30 IonicContact NH1-OE2 3.63Å; R11-E30 PolarHBondContact NH1-OE2 3.18Å; L26-E30 PolarHBondContact O-N 3.01Å; L26-E30 VanDerWaalsContact O-N 3.13Å; L27-E30 PolarHBondContact O-N 3.49Å; E30-L32 PolarHBondContact O-N 3.32Å; E30-L33 WeakPolarHBondContact O-CB 3.28Å; E30-L33 PolarHBondContact O-N 3.22Å; E30-I34 HydrophobicContact CG-CD1 3.79Å; E30-I34 HydrophobicContact CG-CG1 4.32Å; E30-I34 VanDerWaalsContact O-CG1 3.22Å; E30-I34 WeakPolarHBondContact O-CG1 3.38Å; E30-I34 PolarHBondContact O-N 2.85Å
31W89.4Confident88.5Confident78 Ų7872.4 Ų72.430%0.29540%0.397SS..Hα-helixtrans-63.6-40.9-179.5-65.9-2.6000112.7L27 G28 I34 Y35 M50 S53 L54L27-W31 WeakPolarHBondContact O-CB 3.31Å; L27-W31 VanDerWaalsContact O-CD1 3.25Å; L27-W31 PolarHBondContact O-N 3.32Å; G28-W31 PolarHBondContact O-N 3.3Å; W31-I34 PolarHBondContact O-N 2.91Å; W31-Y35 WeakPolarHBondContact O-CB 3.37Å; W31-Y35 PolarHBondContact O-N 2.95Å; W31-M50 HydrophobicContact CB-CE 4.05Å; W31-M50 HydrophobicContact CB-SD 3.9Å; W31-M50 HydrophobicContact CD2-CE 3.1Å; W31-M50 HydrophobicContact CD2-SD 3.78Å; W31-M50 HydrophobicContact CE3-CE 3.41Å; W31-M50 VanDerWaalsContact CE3-CE 3.41Å; W31-M50 HydrophobicContact CG-CE 3.42Å; W31-M50 VanDerWaalsContact CG-CE 3.42Å; W31-M50 HydrophobicContact CG-SD 3.41Å; W31-M50 HydrophobicContact CH2-CE 4.04Å; W31-M50 HydrophobicContact CZ2-CE 3.8Å; W31-M50 HydrophobicContact CZ3-CE 3.86Å; W31-S53 PolarHBondContact NE1-OG 3.34Å; W31-L54 HydrophobicContact CH2-CD1 4.44Å; W31-L54 HydrophobicContact CH2-CD2 4.17Å; W31-L54 HydrophobicContact CH2-CG 4.44Å; W31-L54 HydrophobicContact CZ2-CD1 4.17Å; W31-L54 HydrophobicContact CZ2-CD2 3.94Å; W31-L54 HydrophobicContact CZ2-CG 3.89Å
32L89.9Confident88Confident125 Ų12571.8 Ų71.865%0.65439%0.391SS*.Hα-helixtrans-63.7-42.2174.8-172.6151.1000111G28 E30 Y35 W36G28-L32 VanDerWaalsContact O-CB 3.31Å; G28-L32 WeakPolarHBondContact O-CB 3.44Å; G28-L32 PolarHBondContact O-N 2.95Å; E30-L32 PolarHBondContact O-N 3.32Å; L32-Y35 PolarHBondContact O-N 3.08Å; L32-W36 WeakPolarHBondContact O-CB 3.2Å; L32-W36 PolarHBondContact O-N 3.45Å
33L88.1Confident87.2Confident66 Ų6666.9 Ų66.935%0.34637%0.374SS..Hα-helixtrans-63-45.1175.2179.866.5000111.7P7 A29 E30 W36 L37P7-L33 HydrophobicContact CB-CD2 3.97Å; P7-L33 HydrophobicContact CG-CD2 3.79Å; A29-L33 WeakPolarHBondContact O-CB 3.41Å; A29-L33 PolarHBondContact O-N 3.34Å; E30-L33 WeakPolarHBondContact O-CB 3.28Å; E30-L33 PolarHBondContact O-N 3.22Å; L33-W36 PolarHBondContact O-N 3.02Å; L33-L37 HydrophobicContact CD1-CD1 4.37Å; L33-L37 HydrophobicContact CG-CD1 4.13Å; L33-L37 WeakPolarHBondContact O-CB 3.11Å; L33-L37 WeakPolarHBondContact O-CG 3.37Å; L33-L37 PolarHBondContact O-N 3.48Å
34I86Confident86.1Confident3 Ų371.2 Ų71.22%0.01540%0.403CS..Hα-helixtrans-62.1-45.3176.9-65168.6000109.8V3 E30 W31 W36 L37 T38 F46 L49V3-I34 HydrophobicContact CG1-CD1 4.43Å; V3-I34 HydrophobicContact CG1-CG1 3.8Å; E30-I34 HydrophobicContact CG-CD1 3.79Å; E30-I34 HydrophobicContact CG-CG1 4.32Å; E30-I34 VanDerWaalsContact O-CG1 3.22Å; E30-I34 WeakPolarHBondContact O-CG1 3.38Å; E30-I34 PolarHBondContact O-N 2.85Å; W31-I34 PolarHBondContact O-N 2.91Å; I34-W36 VanDerWaalsContact C-N 3.34Å; I34-W36 PolarHBondContact O-N 3.26Å; I34-L37 PolarHBondContact O-N 3.32Å; I34-T38 PolarHBondContact O-N 2.98Å; I34-T38 PolarHBondContact O-OG1 3.48Å; I34-F46 HydrophobicContact CB-CE2 4.44Å; I34-F46 HydrophobicContact CG2-CD2 3.68Å; I34-F46 HydrophobicContact CG2-CE2 3.87Å; I34-L49 HydrophobicContact CD1-CB 4.31Å; I34-L49 HydrophobicContact CG2-CB 4.49Å; I34-L49 HydrophobicContact CG2-CD1 3.88Å
35Y87.6Confident85.5Confident130 Ų13069.1 Ų69.151%0.5139%0.385SS..Hα-helixtrans-58.9-45.4177.3178.5-96.6000111.8W31 L32 T38 Q39W31-Y35 WeakPolarHBondContact O-CB 3.37Å; W31-Y35 PolarHBondContact O-N 2.95Å; L32-Y35 PolarHBondContact O-N 3.08Å; Y35-T38 WeakPolarHBondContact O-CB 3.44Å; Y35-T38 PolarHBondContact O-N 2.72Å; Y35-Q39 HydrophobicContact CE1-CG 4.15Å; Y35-Q39 WeakPolarHBondContact O-CG 3.4Å; Y35-Q39 PolarHBondContact O-N 2.67Å; Y35-Q39 VanDerWaalsContact O-N 3.11Å; Y35-Q39 PolarHBondContact OH-NE2 3.38Å; Y35-Q39 VanDerWaalsContact OH-NE2 3.16Å
36W87.5Confident84.9Confident160 Ų16067.4 Ų67.461%0.60637%0.369SS*.Hα-helixtrans-62.6-42.8176.6-176.278.2000112.2L32 L33 I34 T38 Q39 A40L32-W36 WeakPolarHBondContact O-CB 3.2Å; L32-W36 PolarHBondContact O-N 3.45Å; L33-W36 PolarHBondContact O-N 3.02Å; I34-W36 VanDerWaalsContact C-N 3.34Å; I34-W36 PolarHBondContact O-N 3.26Å; W36-T38 VanDerWaalsContact C-N 3.33Å; W36-T38 PolarHBondContact O-N 2.97Å; W36-Q39 PolarHBondContact O-N 3.49Å; W36-A40 WeakPolarHBondContact O-CB 3.36Å; W36-A40 PolarHBondContact O-N 3.28Å
37L85Confident84.5Confident38 Ų3869.5 Ų69.520%0.19939%0.385CS..Hα-helixtrans-66.5-33.3175.6-71.5170.4000112.7V3 L33 I34 Q39 A40 V41 L43V3-L37 HydrophobicContact CG2-CD1 3.78Å; L33-L37 HydrophobicContact CD1-CD1 4.37Å; L33-L37 HydrophobicContact CG-CD1 4.13Å; L33-L37 WeakPolarHBondContact O-CB 3.11Å; L33-L37 WeakPolarHBondContact O-CG 3.37Å; L33-L37 PolarHBondContact O-N 3.48Å; I34-L37 PolarHBondContact O-N 3.32Å; L37-Q39 VanDerWaalsContact C-N 3.33Å; L37-A40 PolarHBondContact O-N 2.89Å; L37-V41 WeakPolarHBondContact O-CB 3.47Å; L37-V41 PolarHBondContact O-N 3.48Å; L37-L43 HydrophobicContact CB-CD1 3.69Å
38T85.2Confident84.2Confident34 Ų3470 Ų7021%0.20939%0.388CS..Hα-helixtrans-61.8-43.6173.2-60.70000111.1I34 Y35 W36 G42 L43I34-T38 PolarHBondContact O-N 2.98Å; I34-T38 PolarHBondContact O-OG1 3.48Å; Y35-T38 WeakPolarHBondContact O-CB 3.44Å; Y35-T38 PolarHBondContact O-N 2.72Å; W36-T38 VanDerWaalsContact C-N 3.33Å; W36-T38 PolarHBondContact O-N 2.97Å; T38-G42 WeakPolarHBondContact O-CA 3.32Å; T38-G42 PolarHBondContact O-N 3.46Å; T38-L43 HydrophobicContact CG2-CB 4.38Å; T38-L43 WeakPolarHBondContact CG2-O 3.44Å
39Q85.7Confident83.9Confident131 Ų13169 Ų6961%0.61238%0.375SS*.Hα-helixtrans-68.2-41.8176.9-68.3-75.85.900112.2Y35 W36 L37Y35-Q39 HydrophobicContact CE1-CG 4.15Å; Y35-Q39 WeakPolarHBondContact O-CG 3.4Å; Y35-Q39 PolarHBondContact O-N 2.67Å; Y35-Q39 VanDerWaalsContact O-N 3.11Å; Y35-Q39 PolarHBondContact OH-NE2 3.38Å; Y35-Q39 VanDerWaalsContact OH-NE2 3.16Å; W36-Q39 PolarHBondContact O-N 3.49Å; L37-Q39 VanDerWaalsContact C-N 3.33Å
40A85.8Confident83.6Confident64 Ų6467.7 Ų67.753%0.52936%0.359SS..Hα-helixtrans-78.5-36-174.200000114.1W36 L37W36-A40 WeakPolarHBondContact O-CB 3.36Å; W36-A40 PolarHBondContact O-N 3.28Å; L37-A40 PolarHBondContact O-N 2.89Å
41V83.8Confident83.5Confident109 Ų10971.2 Ų71.266%0.66138%0.377SS*.Hα-helixtrans-117.6-9.9-171.4-171.30000112.5L37L37-V41 WeakPolarHBondContact O-CB 3.47Å; L37-V41 PolarHBondContact O-N 3.48Å
42G77.8Confident83.3Confident53 Ų5367.5 Ų67.555%0.54636%0.363SS..  trans76.846.1179.700000113.9T38 T44T38-G42 WeakPolarHBondContact O-CA 3.32Å; T38-G42 PolarHBondContact O-N 3.46Å; G42-T44 PolarHBondContact O-N 2.93Å
43L74.1Confident83.1Confident40 Ų4061.6 Ų61.621%0.20933%0.332CS..  trans-67116.8178.2-63172.7000111.8V3 L37 T38 H45V3-L43 HydrophobicContact CG2-CD1 3.92Å; L37-L43 HydrophobicContact CB-CD1 3.69Å; T38-L43 HydrophobicContact CG2-CB 4.38Å; T38-L43 WeakPolarHBondContact CG2-O 3.44Å; L43-H45 PolarHBondContact O-N 3.33Å
44T69.1Low83.1Confident114 Ų11462.5 Ų62.570%0.69934%0.337SS*.THydrogen-bonded Turntrans-76.1-20.8-176.947.40000114.6G42G42-T44 PolarHBondContact O-N 2.93Å
45H77.9Confident83.2Confident47 Ų4765.3 Ų65.322%0.21835%0.352CS..THydrogen-bonded Turntrans-109.435.9-169.3-58.5-71.3000114.2L43 L48 L49 W93 H96L43-H45 PolarHBondContact O-N 3.33Å; H45-L48 HydrophobicContact CB-CB 4.5Å; H45-L48 HydrophobicContact CB-CD1 4.17Å; H45-L48 PolarHBondContact O-N 2.87Å; H45-L49 PolarHBondContact O-N 3.19Å; H45-W93 HydrophobicContact CB-CH2 4.01Å; H45-H96 AromaticContact CE1-CD2 3.73Å; H45-H96 AromaticContact CE1-NE2 3.6Å; H45-H96 AromaticContact ND1-NE2 3.78Å
46F79.9Confident83.2Confident65 Ų6559.1 Ų59.129%0.28533%0.328SS..Hα-helixtrans-49.8-52.3178-178.4-100.8000114.6I34 L48 L49 M50I34-F46 HydrophobicContact CB-CE2 4.44Å; I34-F46 HydrophobicContact CG2-CD2 3.68Å; I34-F46 HydrophobicContact CG2-CE2 3.87Å; F46-L48 VanDerWaalsContact C-N 3.34Å; F46-L48 PolarHBondContact O-N 3.32Å; F46-L49 PolarHBondContact O-N 2.83Å; F46-M50 HydrophobicContact CD1-CG 4.27Å; F46-M50 HydrophobicContact CE1-CG 3.87Å; F46-M50 HydrophobicContact CE1-SD 4.48Å; F46-M50 HydrophobicContact CE2-CG 4.18Å; F46-M50 HydrophobicContact CE2-SD 4.18Å; F46-M50 HydrophobicContact CZ-CE 4.41Å; F46-M50 HydrophobicContact CZ-CG 3.82Å; F46-M50 HydrophobicContact CZ-SD 3.88Å; F46-M50 WeakPolarHBondContact O-CG 3.5Å; F46-M50 PolarHBondContact O-N 3.06Å
47P82.6Confident83.3Confident78 Ų7853.4 Ų53.451%0.50631%0.308SS..Hα-helixtrans-66.3-33.2-175.725-34.2000113.3M50 I51P47-M50 PolarHBondContact O-N 2.94Å; P47-I51 VanDerWaalsContact O-CG1 3.31Å; P47-I51 WeakPolarHBondContact O-CG1 3.41Å; P47-I51 PolarHBondContact O-N 3.47Å
48L83.3Confident83.4Confident27 Ų2756.8 Ų56.814%0.14133%0.326CS..Hα-helixtrans-66.6-39.7178.1-67.4170.7000111.7H45 F46 G52 P92 H96H45-L48 HydrophobicContact CB-CB 4.5Å; H45-L48 HydrophobicContact CB-CD1 4.17Å; H45-L48 PolarHBondContact O-N 2.87Å; F46-L48 VanDerWaalsContact C-N 3.34Å; F46-L48 PolarHBondContact O-N 3.32Å; L48-G52 PolarHBondContact O-N 2.99Å; L48-P92 HydrophobicContact CB-CB 4.48Å; L48-P92 HydrophobicContact CD2-CB 3.71Å; L48-H96 VanDerWaalsContact CD1-CE1 3.47Å; L48-H96 WeakPolarHBondContact CD1-CE1 3.35Å
49L84Confident83.6Confident12 Ų1255.4 Ų55.46%0.06332%0.318CS..Hα-helixtrans-62.8-43.4175.3-68.7172.8000111.3V3 L4 I34 H45 F46 S53 W93V3-L49 HydrophobicContact CG1-CD1 4.46Å; L4-L49 HydrophobicContact CD2-CD2 3.45Å; L4-L49 VanDerWaalsContact CD2-CD2 3.45Å; L4-L49 HydrophobicContact CG-CD2 3.94Å; I34-L49 HydrophobicContact CD1-CB 4.31Å; I34-L49 HydrophobicContact CG2-CB 4.49Å; I34-L49 HydrophobicContact CG2-CD1 3.88Å; H45-L49 PolarHBondContact O-N 3.19Å; F46-L49 PolarHBondContact O-N 2.83Å; L49-S53 WeakPolarHBondContact O-CB 3.45Å; L49-S53 PolarHBondContact O-N 3.28Å; L49-W93 HydrophobicContact CD2-CZ2 3.83Å; L49-W93 HydrophobicContact CG-CZ2 4.37Å
50M84.5Confident83.8Confident32 Ų3249.3 Ų49.316%0.15829%0.29CS..Hα-helixtrans-64.2-47.5179-66.3-69.8-67.900112.2W31 F46 P47 S53 L54W31-M50 HydrophobicContact CB-CE 4.05Å; W31-M50 HydrophobicContact CB-SD 3.9Å; W31-M50 HydrophobicContact CD2-CE 3.1Å; W31-M50 HydrophobicContact CD2-SD 3.78Å; W31-M50 HydrophobicContact CE3-CE 3.41Å; W31-M50 VanDerWaalsContact CE3-CE 3.41Å; W31-M50 HydrophobicContact CG-CE 3.42Å; W31-M50 VanDerWaalsContact CG-CE 3.42Å; W31-M50 HydrophobicContact CG-SD 3.41Å; W31-M50 HydrophobicContact CH2-CE 4.04Å; W31-M50 HydrophobicContact CZ2-CE 3.8Å; W31-M50 HydrophobicContact CZ3-CE 3.86Å; F46-M50 HydrophobicContact CD1-CG 4.27Å; F46-M50 HydrophobicContact CE1-CG 3.87Å; F46-M50 HydrophobicContact CE1-SD 4.48Å; F46-M50 HydrophobicContact CE2-CG 4.18Å; F46-M50 HydrophobicContact CE2-SD 4.18Å; F46-M50 HydrophobicContact CZ-CE 4.41Å; F46-M50 HydrophobicContact CZ-CG 3.82Å; F46-M50 HydrophobicContact CZ-SD 3.88Å; F46-M50 WeakPolarHBondContact O-CG 3.5Å; F46-M50 PolarHBondContact O-N 3.06Å; P47-M50 PolarHBondContact O-N 2.94Å; M50-S53 WeakPolarHBondContact O-CB 3.22Å; M50-S53 PolarHBondContact O-N 3.47Å; M50-S53 PolarHBondContact O-OG 2.94Å; M50-L54 PolarHBondContact O-N 3.26Å
51I86.1Confident83.9Confident89 Ų8947.5 Ų47.546%0.45628%0.275SS..Hα-helixtrans-60.5-49.4178-69.5165000110.1P47 S53 L54 L55 P92P47-I51 VanDerWaalsContact O-CG1 3.31Å; P47-I51 WeakPolarHBondContact O-CG1 3.41Å; P47-I51 PolarHBondContact O-N 3.47Å; I51-S53 VanDerWaalsContact C-N 3.27Å; I51-S53 PolarHBondContact O-N 3.44Å; I51-L54 WeakPolarHBondContact O-CB 3.38Å; I51-L54 PolarHBondContact O-N 3.5Å; I51-L54 VanDerWaalsContact O-N 3.16Å; I51-L55 HydrophobicContact CG2-CD1 3.66Å; I51-L55 WeakPolarHBondContact O-CD1 3.13Å; I51-L55 PolarHBondContact O-N 3.26Å; I51-L55 VanDerWaalsContact O-N 3.12Å; I51-P92 HydrophobicContact CG2-CG 4.15Å
52G85.3Confident84.1Confident0 Ų046.7 Ų46.70%027%0.266CS..Hα-helixtrans-56-43.4176.300000112L48 L54 L55 T56 Q89L48-G52 PolarHBondContact O-N 2.99Å; G52-L54 PolarHBondContact O-N 2.92Å; G52-L55 WeakPolarHBondContact O-CB 3.39Å; G52-L55 PolarHBondContact O-N 3.43Å; G52-L55 VanDerWaalsContact O-N 3.1Å; G52-T56 WeakPolarHBondContact O-CG2 3.47Å; G52-T56 PolarHBondContact O-N 3.45Å; G52-T56 VanDerWaalsContact O-N 3.15Å; G52-Q89 PolarHBondContact O-OE1 3.08Å
53S85.9Confident84.5Confident1 Ų145.9 Ų45.91%0.00725%0.249CC..Hα-helixtrans-58.9-36.7-178.783.40000112R11 W31 L49 M50 I51 T56R11-S53 VanDerWaalsContact NH1-CB 3.34Å; R11-S53 PolarHBondContact NH1-O 2.88Å; W31-S53 PolarHBondContact NE1-OG 3.34Å; L49-S53 WeakPolarHBondContact O-CB 3.45Å; L49-S53 PolarHBondContact O-N 3.28Å; M50-S53 WeakPolarHBondContact O-CB 3.22Å; M50-S53 PolarHBondContact O-N 3.47Å; M50-S53 PolarHBondContact O-OG 2.94Å; I51-S53 VanDerWaalsContact C-N 3.27Å; I51-S53 PolarHBondContact O-N 3.44Å; S53-T56 PolarHBondContact O-OG1 3.31Å
54L88.2Confident84.8Confident86 Ų8645 Ų4545%0.4525%0.247SC..Hα-helixtrans-72.4-42.3176.6-74.7157.2000111.9W31 M50 I51 G52 T56 L57W31-L54 HydrophobicContact CH2-CD1 4.44Å; W31-L54 HydrophobicContact CH2-CD2 4.17Å; W31-L54 HydrophobicContact CH2-CG 4.44Å; W31-L54 HydrophobicContact CZ2-CD1 4.17Å; W31-L54 HydrophobicContact CZ2-CD2 3.94Å; W31-L54 HydrophobicContact CZ2-CG 3.89Å; M50-L54 PolarHBondContact O-N 3.26Å; I51-L54 WeakPolarHBondContact O-CB 3.38Å; I51-L54 PolarHBondContact O-N 3.5Å; I51-L54 VanDerWaalsContact O-N 3.16Å; G52-L54 PolarHBondContact O-N 2.92Å; L54-T56 PolarHBondContact O-N 3.16Å; L54-L57 HydrophobicContact CD2-CD1 4.1Å; L54-L57 VanDerWaalsContact O-CB 3.28Å; L54-L57 WeakPolarHBondContact O-CB 3.43Å; L54-L57 WeakPolarHBondContact O-CG 3.43Å; L54-L57 PolarHBondContact O-N 2.87Å
55L88.2Confident85.3Confident62 Ų6247.9 Ų47.933%0.32524%0.244SC..Hα-helixtrans-57.6-35177.7-83.2138.9000112.1I51 G52 L57 L58 L88 P92I51-L55 HydrophobicContact CG2-CD1 3.66Å; I51-L55 WeakPolarHBondContact O-CD1 3.13Å; I51-L55 PolarHBondContact O-N 3.26Å; I51-L55 VanDerWaalsContact O-N 3.12Å; G52-L55 WeakPolarHBondContact O-CB 3.39Å; G52-L55 PolarHBondContact O-N 3.43Å; G52-L55 VanDerWaalsContact O-N 3.1Å; L55-L57 PolarHBondContact O-N 3.39Å; L55-L58 PolarHBondContact O-N 3Å; L55-L88 HydrophobicContact CB-CB 4.23Å; L55-L88 HydrophobicContact CD2-CD2 4.39Å; L55-P92 HydrophobicContact CD1-CG 4.22Å
56T88.5Confident85.2Confident0 Ų053.1 Ų53.10%026%0.263CS..THydrogen-bonded Turntrans-68.1-13.417966.40000114.9F8 R11 G52 S53 L54 L58 P59 V60 A85 Q89F8-T56 HydrophobicContact CE2-CG2 3.78Å; F8-T56 HydrophobicContact CZ-CG2 4.26Å; R11-T56 PolarHBondContact NH1-OG1 3.04Å; R11-T56 PolarHBondContact NH2-OG1 3.42Å; G52-T56 WeakPolarHBondContact O-CG2 3.47Å; G52-T56 PolarHBondContact O-N 3.45Å; G52-T56 VanDerWaalsContact O-N 3.15Å; S53-T56 PolarHBondContact O-OG1 3.31Å; L54-T56 PolarHBondContact O-N 3.16Å; T56-L58 PolarHBondContact O-N 2.94Å; T56-P59 VanDerWaalsContact O-CD 3.28Å; T56-P59 WeakPolarHBondContact O-CD 3.18Å; T56-P59 WeakPolarHBondContact O-CG 3.49Å; T56-V60 WeakPolarHBondContact O-CG2 3.28Å; T56-A85 HydrophobicContact CG2-CB 4.17Å; T56-A85 VanDerWaalsContact CG2-O 3.31Å; T56-A85 WeakPolarHBondContact CG2-O 3.18Å; T56-Q89 HydrophobicContact CG2-CB 3.84Å
57L88Confident84.7Confident39 Ų3956.8 Ų56.820%0.20428%0.275CS..Hα-helixtrans-65.3-30.8176-65.9170.7000112.3M15 W23 L27 L54 L55 A61M15-L57 HydrophobicContact CE-CD2 3.17Å; M15-L57 HydrophobicContact SD-CD2 4.16Å; W23-L57 HydrophobicContact CE3-CD2 4.37Å; L27-L57 HydrophobicContact CD1-CD1 3.82Å; L27-L57 HydrophobicContact CD1-CD2 3.84Å; L27-L57 HydrophobicContact CD1-CG 4.35Å; L27-L57 HydrophobicContact CD2-CD2 4.21Å; L27-L57 HydrophobicContact CG-CD2 4.35Å; L54-L57 HydrophobicContact CD2-CD1 4.1Å; L54-L57 VanDerWaalsContact O-CB 3.28Å; L54-L57 WeakPolarHBondContact O-CB 3.43Å; L54-L57 WeakPolarHBondContact O-CG 3.43Å; L54-L57 PolarHBondContact O-N 2.87Å; L55-L57 PolarHBondContact O-N 3.39Å; L57-A61 WeakPolarHBondContact O-CB 3.29Å; L57-A61 PolarHBondContact O-N 3.34Å
58L88.7Confident84Confident109 Ų10956.5 Ų56.557%0.57127%0.267SS*.Hα-helixtrans-62.1-56.1-176.8-172.2152.2000112.7L55 T56 V60 A61 L62L55-L58 PolarHBondContact O-N 3Å; T56-L58 PolarHBondContact O-N 2.94Å; L58-V60 VanDerWaalsContact C-N 3.34Å; L58-V60 PolarHBondContact O-N 2.91Å; L58-A61 PolarHBondContact O-N 3.44Å; L58-L62 HydrophobicContact CD2-CD1 3.69Å; L58-L62 WeakPolarHBondContact O-CG 3.25Å; L58-L62 PolarHBondContact O-N 3.22Å
59P88.6Confident83.4Confident6 Ų664.8 Ų64.84%0.03931%0.305CS..Hα-helixtrans-64.6-37.7179.223.7-34.4000112.3T56 L62 I63 A84 A85 L88T56-P59 VanDerWaalsContact O-CD 3.28Å; T56-P59 WeakPolarHBondContact O-CD 3.18Å; T56-P59 WeakPolarHBondContact O-CG 3.49Å; P59-L62 PolarHBondContact O-N 3.32Å; P59-I63 PolarHBondContact O-N 3.42Å; P59-I63 VanDerWaalsContact O-N 3.07Å; P59-A84 HydrophobicContact CB-CB 3.97Å; P59-A85 HydrophobicContact CG-CB 3.83Å; P59-L88 HydrophobicContact CG-CD1 3.91Å
60V89.4Confident83.2Confident2 Ų270.5 Ų70.51%0.01233%0.326CS..Hα-helixtrans-66.5-39.8177.41790000111L12 M15 L16 W23 T56 L58 S64L12-V60 HydrophobicContact CD2-CG2 3.76Å; M15-V60 HydrophobicContact CB-CG1 3.96Å; L16-V60 HydrophobicContact CD2-CG1 4.05Å; L16-V60 HydrophobicContact CD2-CG2 4.48Å; L16-V60 HydrophobicContact CG-CG1 4.32Å; W23-V60 HydrophobicContact CH2-CG1 3.9Å; W23-V60 HydrophobicContact CZ2-CG1 3.93Å; T56-V60 WeakPolarHBondContact O-CG2 3.28Å; L58-V60 VanDerWaalsContact C-N 3.34Å; L58-V60 PolarHBondContact O-N 2.91Å; V60-S64 WeakPolarHBondContact O-CB 3.18Å; V60-S64 PolarHBondContact O-N 2.81Å; V60-S64 PolarHBondContact O-OG 2.75Å
61A87.6Confident83.2Confident27 Ų2770.8 Ų70.822%0.22333%0.328CS..Hα-helixtrans-63.3-41174.100000113.1R20 W23 L57 L58 S64R20-A61 PolarHBondContact NH2-O 3.4Å; W23-A61 HydrophobicContact CH2-CB 4.18Å; W23-A61 HydrophobicContact CZ3-CB 4.04Å; L57-A61 WeakPolarHBondContact O-CB 3.29Å; L57-A61 PolarHBondContact O-N 3.34Å; L58-A61 PolarHBondContact O-N 3.44Å; A61-S64 PolarHBondContact O-OG 2.67Å
62L88Confident83.1Confident91 Ų9167.9 Ų67.948%0.47631%0.311SS..Hα-helixtrans-65.8-47.4177.8-71.3170.8000111.3L58 P59 R65 Y66L58-L62 HydrophobicContact CD2-CD1 3.69Å; L58-L62 WeakPolarHBondContact O-CG 3.25Å; L58-L62 PolarHBondContact O-N 3.22Å; P59-L62 PolarHBondContact O-N 3.32Å; L62-R65 WeakPolarHBondContact O-CB 3.44Å; L62-R65 PolarHBondContact O-N 3.39Å; L62-Y66 WeakPolarHBondContact O-CD2 3.48Å
63I85.9Confident83.2Confident36 Ų3672.5 Ų72.519%0.18533%0.329CS..Hα-helixtrans-80-31.4-172.8-71.6161.2000112.3P59 R65 Y66 L77 A81P59-I63 PolarHBondContact O-N 3.42Å; P59-I63 VanDerWaalsContact O-N 3.07Å; I63-R65 PolarHBondContact O-N 3.06Å; I63-Y66 PolarHBondContact O-N 3.05Å; I63-L77 HydrophobicContact CG2-CB 4.23Å; I63-A81 HydrophobicContact CB-CB 4.25Å; I63-A81 HydrophobicContact CD1-CB 3.23Å; I63-A81 HydrophobicContact CG1-CB 4.29Å; I63-A81 HydrophobicContact CG2-CB 4.27Å
64S80.9Confident83.3Confident23 Ų2373.8 Ų73.816%0.16134%0.336CS..THydrogen-bonded Turntrans-59.4-17.2172.260.20000113.9R20 V60 A61 Y66R20-S64 PolarHBondContact NH2-OG 3.5Å; R20-S64 VanDerWaalsContact NH2-OG 3.08Å; V60-S64 WeakPolarHBondContact O-CB 3.18Å; V60-S64 PolarHBondContact O-N 2.81Å; V60-S64 PolarHBondContact O-OG 2.75Å; A61-S64 PolarHBondContact O-OG 2.67Å; S64-Y66 VanDerWaalsContact C-N 3.33Å
65R79.3Confident83.3Confident173 Ų17369.9 Ų69.965%0.65332%0.316SS*.THydrogen-bonded Turntrans-71.9-26.2171.8-65.3179.5-177.3-168.1-0.9112.9L62 I63L62-R65 WeakPolarHBondContact O-CB 3.44Å; L62-R65 PolarHBondContact O-N 3.39Å; I63-R65 PolarHBondContact O-N 3.06Å
66Y77Confident83.4Confident157 Ų15770.5 Ų70.562%0.61632%0.32SS*.  trans-111.368.4-170.6-64.7-80.7000111.7L62 I63 S64 H68L62-Y66 WeakPolarHBondContact O-CD2 3.48Å; I63-Y66 PolarHBondContact O-N 3.05Å; S64-Y66 VanDerWaalsContact C-N 3.33Å; Y66-H68 PolarHBondContact O-N 3Å; Y66-H68 PolarHBondContact O-ND1 2.93Å
67R69.7Low83.5Confident142 Ų14273.3 Ų73.354%0.53633%0.334SS..  trans-75.9106.4168.4-75.4-173.9-172.3-172.6-3.2109.7Q17Q17-R67 PolarHBondContact O-NH2 3.45Å
68H67.3Low83.6Confident72 Ų7272.2 Ų72.233%0.33333%0.328SS..  trans-83.1147.5176.2-82.269.6000111.2Y66 R70 R73 T74Y66-H68 PolarHBondContact O-N 3Å; Y66-H68 PolarHBondContact O-ND1 2.93Å; H68-R70 VanDerWaalsContact C-N 3.27Å; H68-R70 PolarHBondContact O-N 3.12Å; H68-R73 HydrophobicContact CB-CB 4.23Å; H68-T74 PolarHBondContact O-OG1 3.2Å
69Q70.8Confident83.7Confident201 Ų20167.6 Ų67.694%0.93931%0.307SS*.SBendtrans-71.3-19172.3-72.4-177.2-1500113.6
70R79.5Confident83.8Confident132 Ų13269.7 Ų69.750%0.49833%0.325SS..SBendtrans-96.6125.7-178.6-64.7-173.1-173.3175.2-0.1111H68 W72 R73 T74H68-R70 VanDerWaalsContact C-N 3.27Å; H68-R70 PolarHBondContact O-N 3.12Å; R70-W72 PolarHBondContact O-N 2.84Å; R70-R73 PolarHBondContact O-N 3.38Å; R70-T74 PolarHBondContact O-N 3.44Å; R70-T74 PolarHBondContact O-OG1 3.36Å
71D83.9Confident83.9Confident38 Ų3869.6 Ų69.620%0.20332%0.324CS..Hα-helixtrans-62.5-42.8-172.3-71.1-24.2000112.4R73 T74 L75 H123 W191 Q237 E241D71-R73 VanDerWaalsContact C-N 3.3Å; D71-R73 PolarHBondContact O-N 3.17Å; D71-T74 WeakPolarHBondContact O-CB 3.33Å; D71-T74 PolarHBondContact O-N 2.91Å; D71-L75 PolarHBondContact O-N 3.13Å; D71-H123 IonicContact OD1-CE1 3.15Å; D71-H123 PolarHBondContact OD1-CE1 2.8Å; D71-H123 IonicContact OD1-ND1 3.06Å; D71-H123 IonicContact OD2-CE1 2.85Å; D71-W191 PolarHBondContact OD2-NE1 3.24Å; D71-Q237 HydrophobicContact CB-CG 3.97Å; D71-Q237 PolarHBondContact OD2-NE2 3.04Å; D71-E241 PolarHBondContact N-OE1 2.82Å
72W85.3Confident84.2Confident29 Ų2968.5 Ų68.511%0.1132%0.315CS..Hα-helixtrans-64.2-33.4-177.872.3-92.3000113.3R70 L76 A234 Q237 R238 E241R70-W72 PolarHBondContact O-N 2.84Å; W72-L76 HydrophobicContact CE3-CD1 3.65Å; W72-L76 HydrophobicContact CZ3-CD1 3.72Å; W72-L76 PolarHBondContact O-N 3.02Å; W72-A234 HydrophobicContact CB-CB 4.31Å; W72-A234 VanDerWaalsContact CB-O 3.27Å; W72-A234 WeakPolarHBondContact CB-O 3.15Å; W72-Q237 HydrophobicContact CB-CB 4.26Å; W72-Q237 HydrophobicContact CB-CG 4.37Å; W72-R238 HydrophobicContact CB-CB 4.13Å; W72-R238 HydrophobicContact CD2-CB 4.01Å; W72-R238 HydrophobicContact CD2-CG 4.17Å; W72-R238 HydrophobicContact CG-CB 3.76Å; W72-R238 HydrophobicContact CG-CG 4.33Å; W72-R238 HydrophobicContact CZ2-CG 4.45Å; W72-E241 PolarHBondContact NE1-OE2 3.06Å
73R87.8Confident84.3Confident97 Ų9766.6 Ų66.637%0.36631%0.307SS..Hα-helixtrans-70.9-41.5177-71.6-172176.9176.2-0110.7H68 R70 D71 L75 L76 L77H68-R73 HydrophobicContact CB-CB 4.23Å; R70-R73 PolarHBondContact O-N 3.38Å; D71-R73 VanDerWaalsContact C-N 3.3Å; D71-R73 PolarHBondContact O-N 3.17Å; R73-L75 VanDerWaalsContact C-N 3.29Å; R73-L75 PolarHBondContact O-N 2.96Å; R73-L76 PolarHBondContact O-N 2.97Å; R73-L77 WeakPolarHBondContact O-CB 3.46Å; R73-L77 VanDerWaalsContact O-CG 3.31Å; R73-L77 WeakPolarHBondContact O-CG 3.34Å; R73-L77 PolarHBondContact O-N 3.35Å
74T87.7Confident84.7Confident27 Ų2766.6 Ų66.617%0.16631%0.312CS..Hα-helixtrans-59-42.9176.4-59.60000110.7H68 R70 D71 Q78 L119H68-T74 PolarHBondContact O-OG1 3.2Å; R70-T74 PolarHBondContact O-N 3.44Å; R70-T74 PolarHBondContact O-OG1 3.36Å; D71-T74 WeakPolarHBondContact O-CB 3.33Å; D71-T74 PolarHBondContact O-N 2.91Å; T74-Q78 HydrophobicContact CG2-CG 4.46Å; T74-Q78 WeakPolarHBondContact O-CB 3.43Å; T74-Q78 VanDerWaalsContact O-CG 3.28Å; T74-Q78 WeakPolarHBondContact O-CG 3.29Å; T74-Q78 PolarHBondContact O-N 3.39Å; T74-L119 HydrophobicContact CG2-CD1 4.28Å
75L88.2Confident85.2Confident5 Ų565.5 Ų65.53%0.02630%0.304CS..Hα-helixtrans-61.7-48.7175.8-74.1162.6000113.3D71 R73 Q78 G79 L119 W191 L195 L230 A234D71-L75 PolarHBondContact O-N 3.13Å; R73-L75 VanDerWaalsContact C-N 3.29Å; R73-L75 PolarHBondContact O-N 2.96Å; L75-Q78 PolarHBondContact O-N 2.73Å; L75-G79 PolarHBondContact O-N 2.9Å; L75-L119 HydrophobicContact CD2-CD2 3.33Å; L75-L119 HydrophobicContact CG-CD2 4Å; L75-W191 HydrophobicContact CD1-CB 3.35Å; L75-W191 HydrophobicContact CD1-CD2 3.84Å; L75-W191 HydrophobicContact CD1-CE3 4.01Å; L75-W191 HydrophobicContact CD1-CG 3.58Å; L75-W191 HydrophobicContact CD2-CE3 3.85Å; L75-W191 HydrophobicContact CD2-CZ3 4.33Å; L75-W191 HydrophobicContact CG-CE3 4.38Å; L75-L195 HydrophobicContact CD2-CD1 4.08Å; L75-L230 HydrophobicContact CD2-CD2 4.03Å; L75-A234 HydrophobicContact CB-CB 4.19Å; L75-A234 HydrophobicContact CD1-CB 4.35Å
76L89.9Confident85.8Confident75 Ų7557.3 Ų57.339%0.39327%0.273SS..Hα-helixtrans-65.4-40.7179.7-71.1177.3000112.2W72 R73 G79 A80 L231 A234W72-L76 HydrophobicContact CE3-CD1 3.65Å; W72-L76 HydrophobicContact CZ3-CD1 3.72Å; W72-L76 PolarHBondContact O-N 3.02Å; R73-L76 PolarHBondContact O-N 2.97Å; L76-G79 PolarHBondContact O-N 3.16Å; L76-A80 WeakPolarHBondContact O-CB 3.33Å; L76-A80 PolarHBondContact O-N 2.95Å; L76-L231 HydrophobicContact CD2-CD2 3.78Å; L76-A234 HydrophobicContact CD2-CB 4.15Å; L76-A234 HydrophobicContact CG-CB 4.07Å
77L90.3Very high86.4Confident59 Ų5954.3 Ų54.331%0.30927%0.268SS..Hα-helixtrans-65.7-43.3176.5-74.2169.9000111.4I63 R73 A80 A81I63-L77 HydrophobicContact CG2-CB 4.23Å; R73-L77 WeakPolarHBondContact O-CB 3.46Å; R73-L77 VanDerWaalsContact O-CG 3.31Å; R73-L77 WeakPolarHBondContact O-CG 3.34Å; R73-L77 PolarHBondContact O-N 3.35Å; L77-A80 PolarHBondContact O-N 3.05Å; L77-A81 WeakPolarHBondContact O-CB 3.48Å; L77-A81 PolarHBondContact O-N 3.32Å
78Q89.8Confident87.4Confident15 Ų1549.6 Ų49.67%0.0725%0.253CS..Hα-helixtrans-64.1-41.9174.3-74.2-171.8-1.200111.6L16 Q17 T74 L75 A80 A81 L82L16-Q78 HydrophobicContact CD1-CB 4.4Å; L16-Q78 HydrophobicContact CD1-CG 4.24Å; Q17-Q78 VanDerWaalsContact NE2-NE2 3.1Å; T74-Q78 HydrophobicContact CG2-CG 4.46Å; T74-Q78 WeakPolarHBondContact O-CB 3.43Å; T74-Q78 VanDerWaalsContact O-CG 3.28Å; T74-Q78 WeakPolarHBondContact O-CG 3.29Å; T74-Q78 PolarHBondContact O-N 3.39Å; L75-Q78 PolarHBondContact O-N 2.73Å; Q78-A80 VanDerWaalsContact C-N 3.34Å; Q78-A80 PolarHBondContact O-N 2.86Å; Q78-A81 VanDerWaalsContact O-CB 3.28Å; Q78-A81 WeakPolarHBondContact O-CB 3.48Å; Q78-A81 PolarHBondContact O-N 3.5Å; Q78-A81 VanDerWaalsContact O-N 3.12Å; Q78-L82 WeakPolarHBondContact O-CB 3.49Å; Q78-L82 WeakPolarHBondContact O-CD1 3.43Å; Q78-L82 WeakPolarHBondContact O-CG 3.41Å; Q78-L82 PolarHBondContact O-N 3.49Å
79G90.9Very high88.4Confident13 Ų1346.3 Ų46.313%0.13424%0.238CC..Hα-helixtrans-54.8-48.5172.500000112L75 L76 A81 L82 T83L75-G79 PolarHBondContact O-N 2.9Å; L76-G79 PolarHBondContact O-N 3.16Å; G79-A81 VanDerWaalsContact C-N 3.35Å; G79-A81 PolarHBondContact O-N 3.01Å; G79-L82 PolarHBondContact O-N 2.79Å; G79-T83 WeakPolarHBondContact O-CG2 3.42Å; G79-T83 PolarHBondContact O-N 3.27Å; G79-T83 PolarHBondContact O-OG1 3.28Å
80A91.8Very high89.2Confident50 Ų5037.2 Ų37.241%0.41320%0.196SC..Hα-helixtrans-64.7-35.5175.700000113.2L76 L77 Q78 L82 T83 A84L76-A80 WeakPolarHBondContact O-CB 3.33Å; L76-A80 PolarHBondContact O-N 2.95Å; L77-A80 PolarHBondContact O-N 3.05Å; Q78-A80 VanDerWaalsContact C-N 3.34Å; Q78-A80 PolarHBondContact O-N 2.86Å; A80-L82 VanDerWaalsContact C-N 3.33Å; A80-T83 WeakPolarHBondContact CA-OG1 3.44Å; A80-T83 PolarHBondContact O-OG1 3.03Å; A80-A84 WeakPolarHBondContact O-CB 3.4Å; A80-A84 PolarHBondContact O-N 3.28Å
81A91.5Very high89.6Confident0 Ų034.6 Ų34.60%019%0.192CC..Hα-helixtrans-60.4-46.2173.500000111.2L16 I63 L77 Q78 G79 A84 A85L16-A81 HydrophobicContact CD2-CB 4.21Å; I63-A81 HydrophobicContact CB-CB 4.25Å; I63-A81 HydrophobicContact CD1-CB 3.23Å; I63-A81 HydrophobicContact CG1-CB 4.29Å; I63-A81 HydrophobicContact CG2-CB 4.27Å; L77-A81 WeakPolarHBondContact O-CB 3.48Å; L77-A81 PolarHBondContact O-N 3.32Å; Q78-A81 VanDerWaalsContact O-CB 3.28Å; Q78-A81 WeakPolarHBondContact O-CB 3.48Å; Q78-A81 PolarHBondContact O-N 3.5Å; Q78-A81 VanDerWaalsContact O-N 3.12Å; G79-A81 VanDerWaalsContact C-N 3.35Å; G79-A81 PolarHBondContact O-N 3.01Å; A81-A84 PolarHBondContact O-N 3.49Å; A81-A85 WeakPolarHBondContact O-CB 3.38Å; A81-A85 PolarHBondContact O-N 3.33Å
82L92.1Very high89.7Confident4 Ų433.2 Ų33.22%0.02119%0.185CC..Hα-helixtrans-68.8-41.4-176.3-67.5162.9000110.9L12 L16 Q78 G79 A80 A85 A86 L112 A115L12-L82 HydrophobicContact CB-CD2 3.83Å; L12-L82 HydrophobicContact CD1-CD2 3.93Å; L16-L82 HydrophobicContact CD1-CD2 4.03Å; L16-L82 HydrophobicContact CD1-CG 4.23Å; Q78-L82 WeakPolarHBondContact O-CB 3.49Å; Q78-L82 WeakPolarHBondContact O-CD1 3.43Å; Q78-L82 WeakPolarHBondContact O-CG 3.41Å; Q78-L82 PolarHBondContact O-N 3.49Å; G79-L82 PolarHBondContact O-N 2.79Å; A80-L82 VanDerWaalsContact C-N 3.33Å; L82-A85 PolarHBondContact O-N 3.33Å; L82-A86 WeakPolarHBondContact O-CB 3.47Å; L82-A86 PolarHBondContact O-N 3.05Å; L82-L112 HydrophobicContact CB-CD2 4.01Å; L82-L112 HydrophobicContact CD1-CD2 4.17Å; L82-A115 HydrophobicContact CD1-CB 3.63Å; L82-A115 HydrophobicContact CD2-CB 3.4Å; L82-A115 HydrophobicContact CG-CB 4.14Å
83T91.7Very high89.7Confident51 Ų5132.1 Ų32.131%0.31318%0.181SC..Hα-helixtrans-65.4-43.1174.958.50000111.9G79 A80 A86 L87 L108 L112G79-T83 WeakPolarHBondContact O-CG2 3.42Å; G79-T83 PolarHBondContact O-N 3.27Å; G79-T83 PolarHBondContact O-OG1 3.28Å; A80-T83 WeakPolarHBondContact CA-OG1 3.44Å; A80-T83 PolarHBondContact O-OG1 3.03Å; T83-A86 PolarHBondContact O-N 3.46Å; T83-L87 WeakPolarHBondContact O-CG 3.5Å; T83-L87 PolarHBondContact O-N 2.85Å; T83-L108 HydrophobicContact CG2-CD2 4.05Å; T83-L112 HydrophobicContact CG2-CD1 4.42Å; T83-L112 HydrophobicContact CG2-CD2 4.46Å
84A93.3Very high89.4Confident35 Ų3532.7 Ų32.729%0.28919%0.191SC..Hα-helixtrans-64.1-41.8175.200000112.2P59 A80 A81 L87 L88P59-A84 HydrophobicContact CB-CB 3.97Å; A80-A84 WeakPolarHBondContact O-CB 3.4Å; A80-A84 PolarHBondContact O-N 3.28Å; A81-A84 PolarHBondContact O-N 3.49Å; A84-L87 PolarHBondContact O-N 3.03Å; A84-L88 WeakPolarHBondContact O-CB 3.45Å; A84-L88 WeakPolarHBondContact O-CG 3.28Å; A84-L88 PolarHBondContact O-N 3.08Å
85A92Very high89.1Confident0 Ų042.2 Ų42.20%022%0.223CC..Hα-helixtrans-64.3-40.8176.400000112L12 T56 P59 A81 L82 L88 Q89L12-A85 HydrophobicContact CD1-CB 3.81Å; L12-A85 HydrophobicContact CD2-CB 4.2Å; T56-A85 HydrophobicContact CG2-CB 4.17Å; T56-A85 VanDerWaalsContact CG2-O 3.31Å; T56-A85 WeakPolarHBondContact CG2-O 3.18Å; P59-A85 HydrophobicContact CG-CB 3.83Å; A81-A85 WeakPolarHBondContact O-CB 3.38Å; A81-A85 PolarHBondContact O-N 3.33Å; L82-A85 PolarHBondContact O-N 3.33Å; A85-L88 PolarHBondContact O-N 2.97Å; A85-Q89 WeakPolarHBondContact O-CB 3.42Å; A85-Q89 PolarHBondContact O-N 2.86Å
86A90.5Very high88.8Confident1 Ų145.7 Ų45.71%0.00824%0.24CC..Hα-helixtrans-64.3-44.2175.800000112L82 T83 L88 Q89 S90 L108L82-A86 WeakPolarHBondContact O-CB 3.47Å; L82-A86 PolarHBondContact O-N 3.05Å; T83-A86 PolarHBondContact O-N 3.46Å; A86-L88 PolarHBondContact O-N 3.02Å; A86-Q89 PolarHBondContact O-N 3.46Å; A86-S90 PolarHBondContact O-N 2.92Å; A86-S90 PolarHBondContact O-OG 2.64Å; A86-L108 HydrophobicContact CB-CB 4.42Å; A86-L108 HydrophobicContact CB-CD2 3.48Å; A86-L108 VanDerWaalsContact CB-CD2 3.48Å; A86-L108 HydrophobicContact CB-CG 3.73Å
87L91Very high88.1Confident95 Ų9544.2 Ų44.250%0.49724%0.243SC..Hα-helixtrans-57.8-48.8174.2-73.7170.4000111T83 A84 Q89 S90 L91 L104T83-L87 WeakPolarHBondContact O-CG 3.5Å; T83-L87 PolarHBondContact O-N 2.85Å; A84-L87 PolarHBondContact O-N 3.03Å; L87-Q89 PolarHBondContact O-N 2.73Å; L87-S90 PolarHBondContact O-N 3.3Å; L87-S90 VanDerWaalsContact O-N 3.17Å; L87-S90 PolarHBondContact O-OG 2.83Å; L87-L91 PolarHBondContact O-N 3.43Å; L87-L91 VanDerWaalsContact O-N 3.15Å; L87-L104 HydrophobicContact CD2-CD1 3.82Å
88L91Very high87.5Confident42 Ų4250.5 Ų50.522%0.2227%0.267CS..Hα-helixtrans-64.2-37.2178-73178.9000113.3L55 P59 A84 A85 A86 S90 L91L55-L88 HydrophobicContact CB-CB 4.23Å; L55-L88 HydrophobicContact CD2-CD2 4.39Å; P59-L88 HydrophobicContact CG-CD1 3.91Å; A84-L88 WeakPolarHBondContact O-CB 3.45Å; A84-L88 WeakPolarHBondContact O-CG 3.28Å; A84-L88 PolarHBondContact O-N 3.08Å; A85-L88 PolarHBondContact O-N 2.97Å; A86-L88 PolarHBondContact O-N 3.02Å; L88-S90 VanDerWaalsContact C-N 3.3Å; L88-S90 PolarHBondContact O-N 3.32Å; L88-L91 HydrophobicContact CD2-CD1 3.58Å; L88-L91 PolarHBondContact O-N 3.28Å
89Q88.1Confident87.1Confident4 Ų452.9 Ų52.92%0.01928%0.279CS..Hα-helixtrans-65.9-33.6174.6-177.868.638.900111.9L4 F8 G52 T56 A85 A86 L87 P92 T107L4-Q89 HydrophobicContact CD2-CG 4.07Å; F8-Q89 HydrophobicContact CD2-CG 4.04Å; F8-Q89 HydrophobicContact CE2-CB 3.72Å; F8-Q89 HydrophobicContact CE2-CG 3.55Å; F8-Q89 HydrophobicContact CZ-CB 3.9Å; F8-Q89 HydrophobicContact CZ-CG 4.07Å; G52-Q89 PolarHBondContact O-OE1 3.08Å; T56-Q89 HydrophobicContact CG2-CB 3.84Å; A85-Q89 WeakPolarHBondContact O-CB 3.42Å; A85-Q89 PolarHBondContact O-N 2.86Å; A86-Q89 PolarHBondContact O-N 3.46Å; L87-Q89 PolarHBondContact O-N 2.73Å; Q89-P92 WeakPolarHBondContact O-CD 3.44Å; Q89-T107 HydrophobicContact CB-CG2 4.1Å; Q89-T107 HydrophobicContact CG-CG2 3.53Å
90S87.3Confident86.8Confident9 Ų952.9 Ų52.96%0.06328%0.276CS..Hα-helixtrans-79.3-17.7178.367.70000114.3A86 L87 L88 W93A86-S90 PolarHBondContact O-N 2.92Å; A86-S90 PolarHBondContact O-OG 2.64Å; L87-S90 PolarHBondContact O-N 3.3Å; L87-S90 VanDerWaalsContact O-N 3.17Å; L87-S90 PolarHBondContact O-OG 2.83Å; L88-S90 VanDerWaalsContact C-N 3.3Å; L88-S90 PolarHBondContact O-N 3.32Å; S90-W93 WeakPolarHBondContact O-CB 3.38Å; S90-W93 PolarHBondContact O-N 3.32Å
91L87.9Confident86.5Confident78 Ų7859.2 Ų59.241%0.40829%0.29SS..G310 helixtrans-53.4-46-178.1-77.3177.2000114.2L87 L88 W93 L94L87-L91 PolarHBondContact O-N 3.43Å; L87-L91 VanDerWaalsContact O-N 3.15Å; L88-L91 HydrophobicContact CD2-CD1 3.58Å; L88-L91 PolarHBondContact O-N 3.28Å; L91-W93 PolarHBondContact O-N 3.48Å; L91-W93 VanDerWaalsContact O-N 3.15Å; L91-L94 HydrophobicContact CD2-CD1 3.73Å; L91-L94 WeakPolarHBondContact O-CB 3.28Å; L91-L94 WeakPolarHBondContact O-CG 3.44Å; L91-L94 PolarHBondContact O-N 2.93Å; L91-L94 VanDerWaalsContact O-N 3.15Å
92P85.8Confident86.3Confident9 Ų962.7 Ų62.76%0.05831%0.308CS..G310 helixtrans-63-21.6178.9-21.434.4000113.5L48 I51 L55 Q89 L94L48-P92 HydrophobicContact CB-CB 4.48Å; L48-P92 HydrophobicContact CD2-CB 3.71Å; I51-P92 HydrophobicContact CG2-CG 4.15Å; L55-P92 HydrophobicContact CD1-CG 4.22Å; Q89-P92 WeakPolarHBondContact O-CD 3.44Å; P92-L94 VanDerWaalsContact C-N 3.33Å
93W85.1Confident86.1Confident5 Ų562.5 Ų62.52%0.01931%0.307CS..G310 helixtrans-81.4-11.1-179.4-63.280.6000113.1M1 L4 H45 L49 S90 L91 W95 H96 E99 S100 A103M1-W93 HydrophobicContact CG-CH2 4.2Å; M1-W93 HydrophobicContact CG-CZ3 4.23Å; M1-W93 HydrophobicContact SD-CZ3 4.4Å; L4-W93 HydrophobicContact CD1-CZ2 3.98Å; H45-W93 HydrophobicContact CB-CH2 4.01Å; L49-W93 HydrophobicContact CD2-CZ2 3.83Å; L49-W93 HydrophobicContact CG-CZ2 4.37Å; S90-W93 WeakPolarHBondContact O-CB 3.38Å; S90-W93 PolarHBondContact O-N 3.32Å; L91-W93 PolarHBondContact O-N 3.48Å; L91-W93 VanDerWaalsContact O-N 3.15Å; W93-W95 PolarHBondContact O-N 3.33Å; W93-W95 VanDerWaalsContact O-N 3.17Å; W93-H96 PolarHBondContact O-N 3.21Å; W93-E99 HydrophobicContact CE3-CB 4.22Å; W93-S100 WeakPolarHBondContact O-CB 3.45Å; W93-A103 HydrophobicContact CB-CB 4.11Å; W93-A103 HydrophobicContact CD2-CB 3.77Å; W93-A103 HydrophobicContact CE3-CB 4.21Å; W93-A103 HydrophobicContact CG-CB 3.7Å
94L82.5Confident86Confident110 Ų11061.8 Ų61.858%0.57630%0.301SS*.G310 helixtrans-58-29.7177.3-70171.9000112.5L91 P92 H96 G97L91-L94 HydrophobicContact CD2-CD1 3.73Å; L91-L94 WeakPolarHBondContact O-CB 3.28Å; L91-L94 WeakPolarHBondContact O-CG 3.44Å; L91-L94 PolarHBondContact O-N 2.93Å; L91-L94 VanDerWaalsContact O-N 3.15Å; P92-L94 VanDerWaalsContact C-N 3.33Å; L94-H96 PolarHBondContact O-N 2.89Å; L94-G97 PolarHBondContact O-N 3.07Å
95W81.4Confident85.9Confident226 Ų22661.1 Ų61.186%0.85629%0.293SS*.G310 helixtrans-67.4-18.3174.1-83.1-63.8000114.4W93W93-W95 PolarHBondContact O-N 3.33Å; W93-W95 VanDerWaalsContact O-N 3.17Å
96H80.8Confident85.9Confident79 Ų7962.1 Ų62.137%0.36630%0.298SS..G310 helixtrans-101.216.3-177.2-6770.4000112.8H45 L48 W93 L94 K98 E99H45-H96 AromaticContact CE1-CD2 3.73Å; H45-H96 AromaticContact CE1-NE2 3.6Å; H45-H96 AromaticContact ND1-NE2 3.78Å; L48-H96 VanDerWaalsContact CD1-CE1 3.47Å; L48-H96 WeakPolarHBondContact CD1-CE1 3.35Å; W93-H96 PolarHBondContact O-N 3.21Å; L94-H96 PolarHBondContact O-N 2.89Å; H96-K98 PolarHBondContact O-N 2.93Å; H96-E99 HydrophobicContact CB-CB 4.29Å; H96-E99 PolarHBondContact O-N 3.39Å
97G75.8Confident85.9Confident44 Ų4462.1 Ų62.145%0.45430%0.298SS..THydrogen-bonded Turntrans60.9-102.8168.800000113.9L94 E99 S100L94-G97 PolarHBondContact O-N 3.07Å; G97-E99 VanDerWaalsContact C-N 3.33Å; G97-E99 PolarHBondContact O-N 3.25Å; G97-S100 WeakPolarHBondContact O-CB 3.39Å; G97-S100 PolarHBondContact O-N 3.25Å; G97-S100 PolarHBondContact O-OG 3.01Å
98K76.3Confident86Confident190 Ų19058.9 Ų58.983%0.82628%0.281SS*.THydrogen-bonded Turntrans-68.9-27.4-175.1-70.8-174.8178.3-179.40113.7H96 S100H96-K98 PolarHBondContact O-N 2.93Å; K98-S100 PolarHBondContact O-N 3.42Å
99E82.1Confident86Confident66 Ų6656.9 Ų56.931%0.30827%0.27SS..Hα-helixtrans-72.5-20.3-179.4-60.4-166.4165.900113M1 W93 H96 G97 W101 N102 A103M1-E99 HydrophobicContact CE-CB 3.69Å; M1-E99 HydrophobicContact CE-CG 3.61Å; M1-E99 HydrophobicContact SD-CB 4.49Å; W93-E99 HydrophobicContact CE3-CB 4.22Å; H96-E99 HydrophobicContact CB-CB 4.29Å; H96-E99 PolarHBondContact O-N 3.39Å; G97-E99 VanDerWaalsContact C-N 3.33Å; G97-E99 PolarHBondContact O-N 3.25Å; E99-W101 PolarHBondContact O-N 3.27Å; E99-N102 PolarHBondContact O-N 3.36Å; E99-A103 WeakPolarHBondContact O-CB 3.16Å; E99-A103 PolarHBondContact O-N 3.14Å
100S84.6Confident86.1Confident12 Ų1256.7 Ų56.78%0.08427%0.27CS..Hα-helixtrans-59.1-44.4179.7670000112.7W93 G97 K98 A103 L104W93-S100 WeakPolarHBondContact O-CB 3.45Å; G97-S100 WeakPolarHBondContact O-CB 3.39Å; G97-S100 PolarHBondContact O-N 3.25Å; G97-S100 PolarHBondContact O-OG 3.01Å; K98-S100 PolarHBondContact O-N 3.42Å; S100-A103 PolarHBondContact O-N 3.01Å; S100-L104 WeakPolarHBondContact O-CB 3.44Å; S100-L104 PolarHBondContact O-N 3.24Å
101W86.6Confident86.2Confident184 Ų18456.3 Ų56.370%0.69727%0.267SS*.Hα-helixtrans-66.4-41.9179.7-67.9116.5000112E99 L104 L105E99-W101 PolarHBondContact O-N 3.27Å; W101-L104 PolarHBondContact O-N 3.26Å; W101-L105 VanDerWaalsContact O-CB 3.24Å; W101-L105 WeakPolarHBondContact O-CB 3.37Å; W101-L105 PolarHBondContact O-N 3.09Å
102N87.2Confident86.4Confident72 Ų7253 Ų5339%0.38525%0.249SC..Hα-helixtrans-65.6-39.7175.9-71.8-13.5000111.4M1 E99 L105 L106M1-N102 HydrophobicContact SD-CB 4.05Å; E99-N102 PolarHBondContact O-N 3.36Å; N102-L105 PolarHBondContact O-N 3.47Å; N102-L106 WeakPolarHBondContact O-CB 3.47Å; N102-L106 WeakPolarHBondContact O-CD1 3.25Å; N102-L106 VanDerWaalsContact O-CG 3.29Å; N102-L106 WeakPolarHBondContact O-CG 3.28Å; N102-L106 PolarHBondContact O-N 3.24Å
103A87.3Confident86.5Confident0 Ų053.6 Ų53.60%025%0.253CS..Hα-helixtrans-64.5-44.3175.800000112.1L4 W93 E99 S100 L106 T107L4-A103 HydrophobicContact CD1-CB 3.73Å; W93-A103 HydrophobicContact CB-CB 4.11Å; W93-A103 HydrophobicContact CD2-CB 3.77Å; W93-A103 HydrophobicContact CE3-CB 4.21Å; W93-A103 HydrophobicContact CG-CB 3.7Å; E99-A103 WeakPolarHBondContact O-CB 3.16Å; E99-A103 PolarHBondContact O-N 3.14Å; S100-A103 PolarHBondContact O-N 3.01Å; A103-L106 PolarHBondContact O-N 3Å; A103-T107 WeakPolarHBondContact O-CB 3.49Å; A103-T107 VanDerWaalsContact O-CG2 3.25Å; A103-T107 WeakPolarHBondContact O-CG2 3.47Å; A103-T107 PolarHBondContact O-N 3.05Å; A103-T107 PolarHBondContact O-OG1 3.11Å
104L90.1Very high86.8Confident36 Ų3654.8 Ų54.819%0.18826%0.26CS..Hα-helixtrans-60.9-45.9175.5179.4151.7000111.4L87 S100 W101 T107 L108L87-L104 HydrophobicContact CD2-CD1 3.82Å; S100-L104 WeakPolarHBondContact O-CB 3.44Å; S100-L104 PolarHBondContact O-N 3.24Å; W101-L104 PolarHBondContact O-N 3.26Å; L104-T107 WeakPolarHBondContact CA-OG1 3.41Å; L104-T107 PolarHBondContact O-N 3.47Å; L104-T107 PolarHBondContact O-OG1 3.09Å; L104-L108 HydrophobicContact CD2-CD1 3.44Å; L104-L108 VanDerWaalsContact CD2-CD1 3.44Å; L104-L108 HydrophobicContact CD2-CG 4.27Å; L104-L108 HydrophobicContact CG-CD1 4.18Å; L104-L108 WeakPolarHBondContact O-CB 3.28Å; L104-L108 WeakPolarHBondContact O-CG 3.46Å; L104-L108 PolarHBondContact O-N 2.86Å
105L90.7Very high87.1Confident22 Ų2249.6 Ų49.612%0.11523%0.233CC..Hα-helixtrans-68.5-40.6-178.4175.2154.1000111.4W101 N102 T109 V216 L219 L220W101-L105 VanDerWaalsContact O-CB 3.24Å; W101-L105 WeakPolarHBondContact O-CB 3.37Å; W101-L105 PolarHBondContact O-N 3.09Å; N102-L105 PolarHBondContact O-N 3.47Å; L105-T109 WeakPolarHBondContact O-CB 3.49Å; L105-T109 PolarHBondContact O-N 2.9Å; L105-T109 PolarHBondContact O-OG1 3.25Å; L105-V216 HydrophobicContact CD1-CG1 4.29Å; L105-L219 HydrophobicContact CD2-CB 3.21Å; L105-L219 HydrophobicContact CD2-CD1 3.29Å; L105-L219 HydrophobicContact CD2-CG 3.8Å; L105-L219 HydrophobicContact CG-CB 4.21Å; L105-L220 HydrophobicContact CD1-CD2 3.64Å; L105-L220 HydrophobicContact CD1-CG 3.91Å
106L91Very high87.5Confident21 Ų2139 Ų3911%0.1119%0.193CC..Hα-helixtrans-61.6-44.9172.3-79.1162.2000112.7M1 L4 L5 N102 A103 G110 L219M1-L106 HydrophobicContact CB-CD1 3.52Å; M1-L106 HydrophobicContact SD-CD1 4.41Å; L4-L106 HydrophobicContact CB-CB 4.03Å; L5-L106 HydrophobicContact CB-CD2 4.19Å; L5-L106 HydrophobicContact CD1-CD2 4.3Å; N102-L106 WeakPolarHBondContact O-CB 3.47Å; N102-L106 WeakPolarHBondContact O-CD1 3.25Å; N102-L106 VanDerWaalsContact O-CG 3.29Å; N102-L106 WeakPolarHBondContact O-CG 3.28Å; N102-L106 PolarHBondContact O-N 3.24Å; A103-L106 PolarHBondContact O-N 3Å; L106-G110 PolarHBondContact O-N 3.24Å; L106-L219 HydrophobicContact CD2-CD1 3.67Å; L106-L219 HydrophobicContact CD2-CD2 3.98Å; L106-L219 HydrophobicContact CG-CD1 4.04Å
107T90.8Very high87.9Confident0 Ų036.3 Ų36.30%018%0.181CC..Hα-helixtrans-69.3-41.2-179.250.70000112.3L4 F8 Q89 A103 L104 G111L4-T107 HydrophobicContact CB-CG2 3.87Å; L4-T107 HydrophobicContact CD1-CG2 4.3Å; L4-T107 HydrophobicContact CD2-CG2 3.83Å; L4-T107 HydrophobicContact CG-CG2 4.22Å; F8-T107 HydrophobicContact CD1-CG2 4.2Å; F8-T107 HydrophobicContact CE1-CG2 4.08Å; F8-T107 VanDerWaalsContact CE1-O 3.32Å; F8-T107 WeakPolarHBondContact CE1-O 3.39Å; F8-T107 HydrophobicContact CG-CG2 4.48Å; F8-T107 HydrophobicContact CZ-CG2 4.23Å; Q89-T107 HydrophobicContact CB-CG2 4.1Å; Q89-T107 HydrophobicContact CG-CG2 3.53Å; A103-T107 WeakPolarHBondContact O-CB 3.49Å; A103-T107 VanDerWaalsContact O-CG2 3.25Å; A103-T107 WeakPolarHBondContact O-CG2 3.47Å; A103-T107 PolarHBondContact O-N 3.05Å; A103-T107 PolarHBondContact O-OG1 3.11Å; L104-T107 WeakPolarHBondContact CA-OG1 3.41Å; L104-T107 PolarHBondContact O-N 3.47Å; L104-T107 PolarHBondContact O-OG1 3.09Å; T107-G111 PolarHBondContact O-N 3.01Å
108L92.8Very high88.6Confident28 Ų2835 Ų3515%0.14717%0.165CC..Hα-helixtrans-62.7-49173.9-80.2176.6000111.4T83 A86 L104 G111 L112 L223T83-L108 HydrophobicContact CG2-CD2 4.05Å; A86-L108 HydrophobicContact CB-CB 4.42Å; A86-L108 HydrophobicContact CB-CD2 3.48Å; A86-L108 VanDerWaalsContact CB-CD2 3.48Å; A86-L108 HydrophobicContact CB-CG 3.73Å; L104-L108 HydrophobicContact CD2-CD1 3.44Å; L104-L108 VanDerWaalsContact CD2-CD1 3.44Å; L104-L108 HydrophobicContact CD2-CG 4.27Å; L104-L108 HydrophobicContact CG-CD1 4.18Å; L104-L108 WeakPolarHBondContact O-CB 3.28Å; L104-L108 WeakPolarHBondContact O-CG 3.46Å; L104-L108 PolarHBondContact O-N 2.86Å; L108-G111 PolarHBondContact O-N 2.74Å; L108-L112 WeakPolarHBondContact O-CB 3.26Å; L108-L112 WeakPolarHBondContact O-CG 3.41Å; L108-L112 PolarHBondContact O-N 2.9Å; L108-L223 HydrophobicContact CB-CD1 3.77Å; L108-L223 HydrophobicContact CD1-CD1 4.1Å
109T91.4Very high89.2Confident0 Ų026.2 Ų26.20%013%0.127CC..Hα-helixtrans-62.4-46.9179.3-590000110.7L5 L105 T113 L219 L222L5-T109 HydrophobicContact CD1-CG2 4.01Å; L105-T109 WeakPolarHBondContact O-CB 3.49Å; L105-T109 PolarHBondContact O-N 2.9Å; L105-T109 PolarHBondContact O-OG1 3.25Å; T109-T113 HydrophobicContact CG2-CG2 4.04Å; T109-T113 VanDerWaalsContact O-CB 3.26Å; T109-T113 WeakPolarHBondContact O-CB 3.42Å; T109-T113 WeakPolarHBondContact O-CG2 3.33Å; T109-T113 PolarHBondContact O-N 2.89Å; T109-T113 PolarHBondContact O-OG1 3.44Å; T109-L219 HydrophobicContact CG2-CD2 3.89Å; T109-L219 PolarHBondContact OG1-O 2.66Å; T109-L222 HydrophobicContact CG2-CB 3.45Å; T109-L222 VanDerWaalsContact CG2-CB 3.45Å; T109-L222 HydrophobicContact CG2-CD1 3.98Å; T109-L222 HydrophobicContact CG2-CG 4.38Å
110G89.8Confident89.5Confident0 Ų024.1 Ų24.10%012%0.119CC..Hα-helixtrans-62.5-46.3178.900000112.8L5 G9 L106 T113 L114L5-G110 WeakPolarHBondContact O-CA 3.49Å; G9-G110 WeakPolarHBondContact CA-O 3.32Å; L106-G110 PolarHBondContact O-N 3.24Å; G110-T113 PolarHBondContact O-OG1 3.1Å; G110-L114 WeakPolarHBondContact O-CB 3.32Å; G110-L114 PolarHBondContact O-N 3.49Å; G110-L114 VanDerWaalsContact O-N 3.14Å
111G91.3Very high89.7Confident1 Ų129.8 Ų29.81%0.0114%0.142CC..Hα-helixtrans-62.3-52.3177.700000112.9T107 L108 A115T107-G111 PolarHBondContact O-N 3.01Å; L108-G111 PolarHBondContact O-N 2.74Å; G111-A115 WeakPolarHBondContact O-CB 3.19Å; G111-A115 PolarHBondContact O-N 2.85Å; G111-A115 VanDerWaalsContact O-N 3.09Å
112L91.7Very high89.8Confident7 Ų725 Ų254%0.03712%0.124CC..Hα-helixtrans-74.7-25.7-175-67.8171.8000113.6L82 T83 L108 P116 L230L82-L112 HydrophobicContact CB-CD2 4.01Å; L82-L112 HydrophobicContact CD1-CD2 4.17Å; T83-L112 HydrophobicContact CG2-CD1 4.42Å; T83-L112 HydrophobicContact CG2-CD2 4.46Å; L108-L112 WeakPolarHBondContact O-CB 3.26Å; L108-L112 WeakPolarHBondContact O-CG 3.41Å; L108-L112 PolarHBondContact O-N 2.9Å; L112-P116 WeakPolarHBondContact O-CD 3.34Å; L112-P116 WeakPolarHBondContact O-CG 3.27Å; L112-L230 HydrophobicContact CB-CD1 4.39Å; L112-L230 HydrophobicContact CD2-CD1 3.7Å
113T88.3Confident89.7Confident22 Ų2222.7 Ų22.714%0.13511%0.11CC..Hα-helixtrans-77.8-49.217553.50000111.5T109 G110 I117 L222 S226T109-T113 HydrophobicContact CG2-CG2 4.04Å; T109-T113 VanDerWaalsContact O-CB 3.26Å; T109-T113 WeakPolarHBondContact O-CB 3.42Å; T109-T113 WeakPolarHBondContact O-CG2 3.33Å; T109-T113 PolarHBondContact O-N 2.89Å; T109-T113 PolarHBondContact O-OG1 3.44Å; G110-T113 PolarHBondContact O-OG1 3.1Å; T113-I117 WeakPolarHBondContact O-CD1 3.4Å; T113-I117 WeakPolarHBondContact O-CG1 3.35Å; T113-L222 HydrophobicContact CG2-CB 4.3Å; T113-S226 WeakPolarHBondContact CG2-OG 3.4Å
114L90.4Very high89.5Confident31 Ų3129.2 Ų29.216%0.16214%0.136CC..Hα-helixtrans-90.4-37-167.5-67.4169000114.1F6 G110 I117 C118F6-L114 HydrophobicContact CB-CD1 4.21Å; F6-L114 HydrophobicContact CD2-CD1 3.58Å; F6-L114 HydrophobicContact CD2-CD2 4.19Å; F6-L114 HydrophobicContact CE2-CD1 4.27Å; F6-L114 HydrophobicContact CE2-CD2 4.28Å; F6-L114 HydrophobicContact CG-CD1 4.15Å; G110-L114 WeakPolarHBondContact O-CB 3.32Å; G110-L114 PolarHBondContact O-N 3.49Å; G110-L114 VanDerWaalsContact O-N 3.14Å; L114-I117 HydrophobicContact CD2-CD1 4.32Å; L114-I117 WeakPolarHBondContact O-CB 3.3Å; L114-I117 PolarHBondContact O-N 3.37Å; L114-C118 PolarHBondContact O-N 2.78Å
115A89.8Confident89.1Confident1 Ų132.1 Ų32.11%0.00815%0.151CC..Hα-helixtrans-65.9-39.6-17500000113.9L82 G111 I117 C118 L119L82-A115 HydrophobicContact CD1-CB 3.63Å; L82-A115 HydrophobicContact CD2-CB 3.4Å; L82-A115 HydrophobicContact CG-CB 4.14Å; G111-A115 WeakPolarHBondContact O-CB 3.19Å; G111-A115 PolarHBondContact O-N 2.85Å; G111-A115 VanDerWaalsContact O-N 3.09Å; A115-I117 PolarHBondContact O-N 3.38Å; A115-C118 WeakPolarHBondContact O-CB 3.04Å; A115-C118 PolarHBondContact O-N 3.36Å; A115-C118 VanDerWaalsContact O-N 3.13Å; A115-L119 PolarHBondContact O-N 2.92Å
116P89.9Confident88.7Confident3 Ų333.5 Ų33.52%0.01917%0.166CC..Hα-helixtrans-64-26.5176-24.537000113.5L112 C118 L119 V120 L195 L230L112-P116 WeakPolarHBondContact O-CD 3.34Å; L112-P116 WeakPolarHBondContact O-CG 3.27Å; P116-C118 VanDerWaalsContact C-N 3.34Å; P116-L119 WeakPolarHBondContact O-CA 3.34Å; P116-L119 VanDerWaalsContact O-CB 3.29Å; P116-L119 WeakPolarHBondContact O-CB 3.22Å; P116-L119 PolarHBondContact O-N 2.96Å; P116-L119 VanDerWaalsContact O-N 3.13Å; P116-V120 PolarHBondContact O-N 2.71Å; P116-L195 HydrophobicContact CB-CD1 3.57Å; P116-L195 HydrophobicContact CB-CD2 3.54Å; P116-L195 HydrophobicContact CB-CG 4.15Å; P116-L195 HydrophobicContact CG-CD2 4.34Å; P116-L230 HydrophobicContact CB-CD2 3.95Å; P116-L230 HydrophobicContact CG-CD1 3.93Å; P116-L230 HydrophobicContact CG-CD2 3.7Å; P116-L230 HydrophobicContact CG-CG 4.1Å
117I88.4Confident87.8Confident22 Ų2237 Ų3711%0.11319%0.185CC..Hα-helixtrans-67-40.5175.4-59.7162.8000110.1T113 L114 A115 L119 V120 F121 L199T113-I117 WeakPolarHBondContact O-CD1 3.4Å; T113-I117 WeakPolarHBondContact O-CG1 3.35Å; L114-I117 HydrophobicContact CD2-CD1 4.32Å; L114-I117 WeakPolarHBondContact O-CB 3.3Å; L114-I117 PolarHBondContact O-N 3.37Å; A115-I117 PolarHBondContact O-N 3.38Å; I117-L119 PolarHBondContact O-N 3.14Å; I117-V120 WeakPolarHBondContact O-CB 3.43Å; I117-V120 PolarHBondContact O-N 2.7Å; I117-F121 HydrophobicContact CG2-CD2 3.76Å; I117-F121 HydrophobicContact CG2-CE2 3.46Å; I117-F121 VanDerWaalsContact CG2-CE2 3.46Å; I117-F121 VanDerWaalsContact O-CD2 3.26Å; I117-F121 WeakPolarHBondContact O-CD2 3.35Å; I117-F121 PolarHBondContact O-N 3.24Å; I117-L199 HydrophobicContact CD1-CB 3.95Å; I117-L199 HydrophobicContact CD1-CD1 3.41Å; I117-L199 VanDerWaalsContact CD1-CD1 3.41Å; I117-L199 HydrophobicContact CD1-CD2 3.75Å; I117-L199 HydrophobicContact CD1-CG 3.86Å; I117-L199 HydrophobicContact CG1-CB 4.31Å; I117-L199 HydrophobicContact CG1-CD2 4.13Å; I117-L199 HydrophobicContact CG2-CD2 4.18Å
118C90.6Very high86.6Confident17 Ų1740.4 Ų40.412%0.11520%0.203CC..Hα-helixtrans-60-34.3172.8-59.70000111.1L114 A115 P116 W122L114-C118 PolarHBondContact O-N 2.78Å; A115-C118 WeakPolarHBondContact O-CB 3.04Å; A115-C118 PolarHBondContact O-N 3.36Å; A115-C118 VanDerWaalsContact O-N 3.13Å; P116-C118 VanDerWaalsContact C-N 3.34Å; C118-W122 VanDerWaalsContact O-CB 3.25Å; C118-W122 WeakPolarHBondContact O-CB 3.36Å; C118-W122 PolarHBondContact O-N 2.91Å
119L89.2Confident85Confident6 Ų644.9 Ų44.93%0.03123%0.232CC..Hα-helixtrans-65.6-43.2170.8173.969.6000113T74 L75 A115 P116 I117 F121 W122 H123 W191T74-L119 HydrophobicContact CG2-CD1 4.28Å; L75-L119 HydrophobicContact CD2-CD2 3.33Å; L75-L119 HydrophobicContact CG-CD2 4Å; A115-L119 PolarHBondContact O-N 2.92Å; P116-L119 WeakPolarHBondContact O-CA 3.34Å; P116-L119 VanDerWaalsContact O-CB 3.29Å; P116-L119 WeakPolarHBondContact O-CB 3.22Å; P116-L119 PolarHBondContact O-N 2.96Å; P116-L119 VanDerWaalsContact O-N 3.13Å; I117-L119 PolarHBondContact O-N 3.14Å; L119-F121 VanDerWaalsContact C-N 3.34Å; L119-F121 PolarHBondContact O-N 3.17Å; L119-W122 HydrophobicContact CD1-CE3 4.32Å; L119-W122 PolarHBondContact O-N 3.47Å; L119-H123 WeakPolarHBondContact O-CB 3.09Å; L119-H123 PolarHBondContact O-N 3.3Å; L119-W191 HydrophobicContact CD2-CE3 4.45Å; L119-W191 HydrophobicContact CD2-CH2 4.21Å; L119-W191 HydrophobicContact CD2-CZ3 3.82Å; L119-W191 HydrophobicContact CG-CH2 3.92Å; L119-W191 HydrophobicContact CG-CZ3 3.87Å
120V88.3Confident83.6Confident22 Ų2253.2 Ų53.213%0.13326%0.263CS..Hα-helixtrans-58.3-48.5175.8176.80000110.4P116 I117 H123 Y124 W191 L195P116-V120 PolarHBondContact O-N 2.71Å; I117-V120 WeakPolarHBondContact O-CB 3.43Å; I117-V120 PolarHBondContact O-N 2.7Å; V120-H123 PolarHBondContact O-N 3.3Å; V120-Y124 WeakPolarHBondContact O-CB 3.37Å; V120-Y124 PolarHBondContact O-N 3.33Å; V120-W191 HydrophobicContact CB-CZ3 4.46Å; V120-W191 HydrophobicContact CG2-CE3 4.37Å; V120-W191 HydrophobicContact CG2-CH2 4.27Å; V120-W191 HydrophobicContact CG2-CZ3 3.62Å; V120-L195 HydrophobicContact CG2-CB 3.88Å; V120-L195 HydrophobicContact CG2-CD1 3.6Å; V120-L195 HydrophobicContact CG2-CG 4.41Å
121F89.2Confident82.4Confident131 Ų13158.6 Ų58.658%0.57529%0.292SS*.Hα-helixtrans-63-47.5177.8-75.7-62.2000112.4I117 L119 H123 Y124 L125I117-F121 HydrophobicContact CG2-CD2 3.76Å; I117-F121 HydrophobicContact CG2-CE2 3.46Å; I117-F121 VanDerWaalsContact CG2-CE2 3.46Å; I117-F121 VanDerWaalsContact O-CD2 3.26Å; I117-F121 WeakPolarHBondContact O-CD2 3.35Å; I117-F121 PolarHBondContact O-N 3.24Å; L119-F121 VanDerWaalsContact C-N 3.34Å; L119-F121 PolarHBondContact O-N 3.17Å; F121-H123 VanDerWaalsContact C-N 3.34Å; F121-H123 PolarHBondContact O-N 3.41Å; F121-Y124 PolarHBondContact O-N 3.17Å; F121-L125 WeakPolarHBondContact O-CB 3.21Å; F121-L125 VanDerWaalsContact O-CG 3.27Å; F121-L125 WeakPolarHBondContact O-CG 3.29Å; F121-L125 PolarHBondContact O-N 2.87Å
122W87.8Confident81.4Confident83 Ų8363.9 Ų63.931%0.31433%0.326SS..Hα-helixtrans-60.6-45178.318083.5000111.5Q17 C118 L119 Y124 L125 A126Q17-W122 HydrophobicContact CB-CB 3.98Å; Q17-W122 HydrophobicContact CB-CG 3.83Å; Q17-W122 HydrophobicContact CG-CB 3.79Å; Q17-W122 HydrophobicContact CG-CG 4.01Å; C118-W122 VanDerWaalsContact O-CB 3.25Å; C118-W122 WeakPolarHBondContact O-CB 3.36Å; C118-W122 PolarHBondContact O-N 2.91Å; L119-W122 HydrophobicContact CD1-CE3 4.32Å; L119-W122 PolarHBondContact O-N 3.47Å; W122-Y124 PolarHBondContact O-N 2.86Å; W122-L125 PolarHBondContact O-N 3Å; W122-A126 HydrophobicContact CD2-CB 4.18Å; W122-A126 HydrophobicContact CE3-CB 4.46Å; W122-A126 HydrophobicContact CH2-CB 4.22Å; W122-A126 HydrophobicContact CZ2-CB 3.92Å; W122-A126 HydrophobicContact CZ3-CB 4.48Å; W122-A126 WeakPolarHBondContact O-CB 3.44Å; W122-A126 PolarHBondContact O-N 2.88Å
123H85.4Confident80Confident23 Ų2371.9 Ų71.911%0.10637%0.368CS..Hα-helixtrans-62.7-43178.2-174.1106.8000111.3D71 L119 V120 F121 L125 A126 N127 W191 Q192D71-H123 IonicContact OD1-CE1 3.15Å; D71-H123 PolarHBondContact OD1-CE1 2.8Å; D71-H123 IonicContact OD1-ND1 3.06Å; D71-H123 IonicContact OD2-CE1 2.85Å; L119-H123 WeakPolarHBondContact O-CB 3.09Å; L119-H123 PolarHBondContact O-N 3.3Å; V120-H123 PolarHBondContact O-N 3.3Å; F121-H123 VanDerWaalsContact C-N 3.34Å; F121-H123 PolarHBondContact O-N 3.41Å; H123-L125 PolarHBondContact O-N 3.05Å; H123-A126 PolarHBondContact O-N 3.23Å; H123-N127 PolarHBondContact CE1-ND2 3.49Å; H123-N127 PolarHBondContact ND1-ND2 2.8Å; H123-N127 PolarHBondContact NE2-ND2 3.24Å; H123-N127 WeakPolarHBondContact O-CB 3.32Å; H123-N127 PolarHBondContact O-N 3.47Å; H123-W191 HydrophobicContact CB-CH2 3.81Å; H123-W191 HydrophobicContact CB-CZ2 4.01Å; H123-W191 AromaticContact CD2-CZ2 3.92Å; H123-W191 AromaticContact CE1-CZ2 3.84Å; H123-W191 AromaticContact CG-CH2 3.95Å; H123-W191 AromaticContact CG-CZ2 3.6Å; H123-W191 AromaticContact ND1-CZ2 3.58Å; H123-Q192 PolarHBondContact CD2-NE2 3.12Å
124Y82.9Confident79.2Confident137 Ų13771.8 Ų71.854%0.53737%0.371SS..Hα-helixtrans-61.4-43.4175.4178.7-96.1000112.3V120 F121 W122 N128V120-Y124 WeakPolarHBondContact O-CB 3.37Å; V120-Y124 PolarHBondContact O-N 3.33Å; F121-Y124 PolarHBondContact O-N 3.17Å; W122-Y124 PolarHBondContact O-N 2.86Å; Y124-N128 VanDerWaalsContact CD2-ND2 3.29Å; Y124-N128 WeakPolarHBondContact CD2-ND2 3.49Å; Y124-N128 WeakPolarHBondContact CE2-ND2 3.39Å; Y124-N128 WeakPolarHBondContact O-CB 3.32Å; Y124-N128 PolarHBondContact O-ND2 3.1Å
125L82.5Confident78.4Confident97 Ų9776 Ų7651%0.50840%0.401SS..Hα-helixtrans-73.5-34.9-179.8-68.5171.4000112.8F121 W122 H123 W130F121-L125 WeakPolarHBondContact O-CB 3.21Å; F121-L125 VanDerWaalsContact O-CG 3.27Å; F121-L125 WeakPolarHBondContact O-CG 3.29Å; F121-L125 PolarHBondContact O-N 2.87Å; W122-L125 PolarHBondContact O-N 3Å; H123-L125 PolarHBondContact O-N 3.05Å; L125-W130 HydrophobicContact CD2-CH2 4.36Å; L125-W130 HydrophobicContact CD2-CZ2 3.76Å; L125-W130 PolarHBondContact O-NE1 3.44Å
126A80.5Confident77.4Confident52 Ų5280 Ų8043%0.4343%0.428SS..Hα-helixtrans-89.1-36.1-173.100000113.8W122 H123W122-A126 HydrophobicContact CD2-CB 4.18Å; W122-A126 HydrophobicContact CE3-CB 4.46Å; W122-A126 HydrophobicContact CH2-CB 4.22Å; W122-A126 HydrophobicContact CZ2-CB 3.92Å; W122-A126 HydrophobicContact CZ3-CB 4.48Å; W122-A126 WeakPolarHBondContact O-CB 3.44Å; W122-A126 PolarHBondContact O-N 2.88Å; H123-A126 PolarHBondContact O-N 3.23Å
127N72.3Confident76.1Confident94 Ų9482 Ų8250%0.50344%0.438SS..Hα-helixtrans-94.5-14.9-175.3-74.8-3.3000114.1H123 T129H123-N127 PolarHBondContact CE1-ND2 3.49Å; H123-N127 PolarHBondContact ND1-ND2 2.8Å; H123-N127 PolarHBondContact NE2-ND2 3.24Å; H123-N127 WeakPolarHBondContact O-CB 3.32Å; H123-N127 PolarHBondContact O-N 3.47Å; N127-T129 PolarHBondContact O-N 3.09Å
128N65.5Low75.1Confident72 Ų7287 Ų8739%0.38547%0.469SS..SBendtrans-73.2121169.2-77.1-23.6000108.7Y124 W130Y124-N128 VanDerWaalsContact CD2-ND2 3.29Å; Y124-N128 WeakPolarHBondContact CD2-ND2 3.49Å; Y124-N128 WeakPolarHBondContact CE2-ND2 3.39Å; Y124-N128 WeakPolarHBondContact O-CB 3.32Å; Y124-N128 PolarHBondContact O-ND2 3.1Å; N128-W130 PolarHBondContact O-N 2.91Å
129T61Low73.9Confident122 Ų12290.9 Ų90.975%0.74850%0.497SS*.  trans-62.6101166.346.30000107.9N127 L131N127-T129 PolarHBondContact O-N 3.09Å; T129-L131 VanDerWaalsContact C-N 3.31Å; T129-L131 PolarHBondContact O-N 3.49Å
130W62.1Low72.7Confident174 Ų17496.1 Ų96.166%0.65952%0.521SS*.  trans-67.994.5168.3-61.889.6000107.1L125 N128L125-W130 HydrophobicContact CD2-CH2 4.36Å; L125-W130 HydrophobicContact CD2-CZ2 3.76Å; L125-W130 PolarHBondContact O-NE1 3.44Å; N128-W130 PolarHBondContact O-N 2.91Å
131L64.5Low71.5Confident113 Ų113100 Ų10059%0.59255%0.547SS*.  trans-63.2134.8168.3-74.5101.6000107.7T129 L133 L137T129-L131 VanDerWaalsContact C-N 3.31Å; T129-L131 PolarHBondContact O-N 3.49Å; L131-L133 PolarHBondContact O-N 2.86Å; L131-L137 HydrophobicContact CB-CD1 3.71Å; L131-L137 HydrophobicContact CD2-CD1 4.42Å
132P68.4Low70.3Confident112 Ų112100.1 Ų100.173%0.72755%0.552SS**  trans-57.3136.9171.525.2-32.5000108.4G134 L137P132-G134 PolarHBondContact O-N 2.87Å; P132-L137 WeakPolarHBondContact O-CD1 3.45Å
133L63.2Low69.1Low175 Ų175102.8 Ų102.892%0.91657%0.573SS**  trans-61.580.5176.9-74.5155000110.1L131L131-L133 PolarHBondContact O-N 2.86Å
134G71.6Confident67.8Low20 Ų20111.7 Ų111.721%0.20661%0.605CS.*  trans-85.6157.3172.400000111.2P132 S136 L137P132-G134 PolarHBondContact O-N 2.87Å; G134-S136 PolarHBondContact O-N 2.87Å; G134-S136 VanDerWaalsContact O-N 3.1Å; G134-L137 PolarHBondContact O-N 2.75Å
135P74.1Confident67.1Low121 Ų121114.7 Ų114.779%0.78662%0.616SS**Hα-helixtrans-57.7-25.917721.4-31.2000113L137 V138P135-L137 VanDerWaalsContact C-N 3.29Å; P135-L137 PolarHBondContact O-N 2.85Å; P135-V138 PolarHBondContact O-N 2.83Å
136S69.3Low66.7Low83 Ų83111.3 Ų111.358%0.5861%0.605SS**Hα-helixtrans-69.3-18.9175.155.50000114.7G134 S139G134-S136 PolarHBondContact O-N 2.87Å; G134-S136 VanDerWaalsContact O-N 3.1Å; S136-S139 PolarHBondContact O-OG 2.87Å
137L62.1Low66.5Low45 Ų45118.3 Ų118.324%0.23662%0.62CS.*Hα-helixtrans-87.9-24.4176.4-77151.7000112.5L131 P132 G134 P135 S139 Q140L131-L137 HydrophobicContact CB-CD1 3.71Å; L131-L137 HydrophobicContact CD2-CD1 4.42Å; P132-L137 WeakPolarHBondContact O-CD1 3.45Å; G134-L137 PolarHBondContact O-N 2.75Å; P135-L137 VanDerWaalsContact C-N 3.29Å; P135-L137 PolarHBondContact O-N 2.85Å; L137-S139 PolarHBondContact O-N 3.41Å; L137-Q140 PolarHBondContact O-N 2.82Å; L137-Q140 VanDerWaalsContact O-N 3.13Å
138V66.3Low66.7Low127 Ų127116.5 Ų116.577%0.7761%0.609SS**Hα-helixtrans-63-31.5178.5-178.50000111.2P135P135-V138 PolarHBondContact O-N 2.83Å
139S66.4Low67.2Low99 Ų99119 Ų11969%0.69262%0.621SS**THydrogen-bonded Turntrans-90.60.3178.157.40000114.4S136 L137S136-S139 PolarHBondContact O-OG 2.87Å; L137-S139 PolarHBondContact O-N 3.41Å
140Q64.3Low68.2Low117 Ų117117.5 Ų117.555%0.54761%0.612SS.*SBendtrans-75.8126.2176.8-73-1709.100109.9L137 I142L137-Q140 PolarHBondContact O-N 2.82Å; L137-Q140 VanDerWaalsContact O-N 3.13Å; Q140-I142 PolarHBondContact O-N 2.79Å
141P63.1Low69.1Low104 Ų104113.5 Ų113.568%0.67560%0.597SS**  trans-61.2124.517525.2-32.2000108.9N143P141-N143 VanDerWaalsContact C-N 3.32Å; P141-N143 PolarHBondContact O-N 2.71Å
142I64.3Low69.7Low132 Ų132109.9 Ų109.968%0.67758%0.575SS**  trans-67.696.3173.8-59.3162.1000106.7Q140 W144Q140-I142 PolarHBondContact O-N 2.79Å; I142-W144 HydrophobicContact CG2-CD2 4.36Å; I142-W144 HydrophobicContact CG2-CG 4.22Å; I142-W144 PolarHBondContact O-N 3.39Å
143N62.6Low70.4Confident140 Ų140109.6 Ų109.675%0.74957%0.567SS**  trans-71.683.1172.4-79.7-19.9000108.6P141 R145P141-N143 VanDerWaalsContact C-N 3.32Å; P141-N143 PolarHBondContact O-N 2.71Å; N143-R145 PolarHBondContact O-N 2.84Å
144W56.8Low71.3Confident209 Ų209105.2 Ų105.279%0.79254%0.544SS*.  trans-56.1113.8170.3-74.491.7000108.4I142 G146I142-W144 HydrophobicContact CG2-CD2 4.36Å; I142-W144 HydrophobicContact CG2-CG 4.22Å; I142-W144 PolarHBondContact O-N 3.39Å; W144-G146 PolarHBondContact O-N 3.26Å
145R68.9Low71.7Confident200 Ų200105.3 Ų105.376%0.75554%0.54SS*.  trans-74.849.2168.9-63.1-174.8172.5-175.6-1.9110.6N143 R147 H148N143-R145 PolarHBondContact O-N 2.84Å; R145-R147 PolarHBondContact O-N 3.49Å; R145-R147 VanDerWaalsContact O-N 3.13Å; R145-H148 WeakPolarHBondContact O-CB 3.36Å; R145-H148 PolarHBondContact O-N 2.64Å
146G73.6Confident72Confident27 Ų27101.9 Ų101.928%0.27851%0.513SS..Hα-helixtrans-57.2-30.5-172.500000113.3W144 H148 L149 V150W144-G146 PolarHBondContact O-N 3.26Å; G146-H148 PolarHBondContact O-N 3.15Å; G146-H148 VanDerWaalsContact O-N 3.16Å; G146-L149 PolarHBondContact O-N 2.94Å; G146-L149 VanDerWaalsContact O-N 3.12Å; G146-V150 WeakPolarHBondContact O-CG2 3.47Å; G146-V150 PolarHBondContact O-N 3.4Å
147R77.4Confident72.6Confident199 Ų199101.8 Ų101.875%0.75151%0.509SS*.Hα-helixtrans-52.3-38.4173.7-173.6174.468.81740.3112.6R145 W151R145-R147 PolarHBondContact O-N 3.49Å; R145-R147 VanDerWaalsContact O-N 3.13Å; R147-W151 PolarHBondContact O-N 2.97Å
148H74.7Confident73.5Confident56 Ų56103.8 Ų103.826%0.25952%0.518SS..Hα-helixtrans-71.6-46.9179.6-60-46000111.4R145 G146 V150 W151 Y152 Y189R145-H148 WeakPolarHBondContact O-CB 3.36Å; R145-H148 PolarHBondContact O-N 2.64Å; G146-H148 PolarHBondContact O-N 3.15Å; G146-H148 VanDerWaalsContact O-N 3.16Å; H148-V150 VanDerWaalsContact C-N 3.29Å; H148-V150 PolarHBondContact O-N 2.91Å; H148-W151 PolarHBondContact O-N 3.49Å; H148-W151 VanDerWaalsContact O-N 3.1Å; H148-Y152 WeakPolarHBondContact O-CD2 3.25Å; H148-Y152 PolarHBondContact O-N 3.33Å; H148-Y189 VanDerWaalsContact CA-OH 3.25Å; H148-Y189 WeakPolarHBondContact CA-OH 3.34Å; H148-Y189 HydrophobicContact CB-CE1 3.78Å; H148-Y189 WeakPolarHBondContact CB-OH 3.33Å; H148-Y189 AromaticContact CE1-CE1 3.76Å; H148-Y189 AromaticContact CG-CE1 3.51Å; H148-Y189 AromaticContact CG-CZ 3.88Å; H148-Y189 AromaticContact ND1-CE1 3.25Å; H148-Y189 WeakPolarHBondContact ND1-CE1 3.36Å; H148-Y189 AromaticContact ND1-CZ 3.45Å; H148-Y189 PolarHBondContact ND1-OH 3.12Å
149L77.1Confident74Confident123 Ų12397.9 Ų97.964%0.64448%0.483SS*.Hα-helixtrans-57.1-43.2176.3-177.267.5000111.7G146 W151 Y152 L153G146-L149 PolarHBondContact O-N 2.94Å; G146-L149 VanDerWaalsContact O-N 3.12Å; L149-W151 VanDerWaalsContact C-N 3.33Å; L149-W151 PolarHBondContact O-N 2.95Å; L149-Y152 PolarHBondContact O-N 2.75Å; L149-L153 WeakPolarHBondContact O-CB 3.31Å; L149-L153 PolarHBondContact O-N 3.18Å
150V82.5Confident74.5Confident92 Ų9296.4 Ų96.456%0.55847%0.467SS*.Hα-helixtrans-59.8-44.3176.1172.10000110.9G146 H148 L153 L154G146-V150 WeakPolarHBondContact O-CG2 3.47Å; G146-V150 PolarHBondContact O-N 3.4Å; H148-V150 VanDerWaalsContact C-N 3.29Å; H148-V150 PolarHBondContact O-N 2.91Å; V150-L153 PolarHBondContact O-N 2.97Å; V150-L154 WeakPolarHBondContact O-CB 3.3Å; V150-L154 PolarHBondContact O-N 2.76Å
151W79.9Confident75.3Confident90 Ų9099.7 Ų99.734%0.34147%0.474SS..Hα-helixtrans-66.9-39.2179.4-134.983.1000112.6R147 H148 L149 L155 A184 L185 H188R147-W151 PolarHBondContact O-N 2.97Å; H148-W151 PolarHBondContact O-N 3.49Å; H148-W151 VanDerWaalsContact O-N 3.1Å; L149-W151 VanDerWaalsContact C-N 3.33Å; L149-W151 PolarHBondContact O-N 2.95Å; W151-L155 HydrophobicContact CE3-CD1 3.43Å; W151-L155 VanDerWaalsContact CE3-CD1 3.43Å; W151-L155 HydrophobicContact CE3-CG 3.93Å; W151-L155 HydrophobicContact CH2-CD1 4.02Å; W151-L155 HydrophobicContact CH2-CG 4.47Å; W151-L155 HydrophobicContact CZ3-CD1 3.16Å; W151-L155 HydrophobicContact CZ3-CD2 4.38Å; W151-L155 HydrophobicContact CZ3-CG 3.9Å; W151-L155 PolarHBondContact O-N 3.38Å; W151-A184 HydrophobicContact CH2-CB 3.91Å; W151-A184 HydrophobicContact CZ3-CB 3.8Å; W151-L185 HydrophobicContact CE3-CD2 4.12Å; W151-L185 HydrophobicContact CZ3-CD2 4.48Å; W151-H188 AromaticContact CH2-CD2 3.63Å; W151-H188 AromaticContact CH2-NE2 3.79Å; W151-H188 AromaticContact CZ3-CD2 3.6Å
152Y77.6Confident75.9Confident36 Ų3697 Ų9714%0.14145%0.454CS..Hα-helixtrans-61.9-49.5172.5-84.9-78.8000111.7H148 L149 L155 F156 L185 Y189 G193 I196H148-Y152 WeakPolarHBondContact O-CD2 3.25Å; H148-Y152 PolarHBondContact O-N 3.33Å; L149-Y152 PolarHBondContact O-N 2.75Å; Y152-L155 PolarHBondContact O-N 3.28Å; Y152-F156 WeakPolarHBondContact O-CB 3.05Å; Y152-F156 PolarHBondContact O-N 3.41Å; Y152-L185 HydrophobicContact CD1-CD1 3.49Å; Y152-L185 VanDerWaalsContact CD1-CD1 3.49Å; Y152-L185 HydrophobicContact CD1-CD2 3.45Å; Y152-L185 VanDerWaalsContact CD1-CD2 3.45Å; Y152-L185 HydrophobicContact CD1-CG 4.07Å; Y152-L185 HydrophobicContact CD2-CD2 4.34Å; Y152-L185 HydrophobicContact CE1-CB 4.29Å; Y152-L185 HydrophobicContact CE1-CD1 3.58Å; Y152-L185 HydrophobicContact CE1-CD2 3.39Å; Y152-L185 HydrophobicContact CE1-CG 3.92Å; Y152-L185 HydrophobicContact CE2-CD2 4.26Å; Y152-L185 HydrophobicContact CG-CD2 3.93Å; Y152-Y189 HydrophobicContact CD2-CE2 4.24Å; Y152-Y189 HydrophobicContact CE1-CD2 4.46Å; Y152-Y189 HydrophobicContact CE2-CD1 4.17Å; Y152-Y189 AromaticContact CE2-CD2 3.73Å; Y152-Y189 HydrophobicContact CE2-CD2 3.73Å; Y152-Y189 HydrophobicContact CE2-CE1 4.04Å; Y152-Y189 AromaticContact CE2-CE2 3.59Å; Y152-Y189 HydrophobicContact CE2-CE2 3.59Å; Y152-Y189 HydrophobicContact CE2-CG 4.02Å; Y152-Y189 AromaticContact CE2-CZ 3.77Å; Y152-Y189 AromaticContact CZ-CD2 3.57Å; Y152-Y189 AromaticContact CZ-CE2 3.89Å; Y152-Y189 AromaticContact CZ-CG 3.88Å; Y152-Y189 VanDerWaalsContact OH-CB 3.31Å; Y152-Y189 WeakPolarHBondContact OH-CB 3.41Å; Y152-Y189 VanDerWaalsContact OH-CD2 3.22Å; Y152-Y189 WeakPolarHBondContact OH-CD2 3.29Å; Y152-G193 WeakPolarHBondContact OH-CA 3.28Å; Y152-I196 HydrophobicContact CD1-CG2 4.25Å; Y152-I196 HydrophobicContact CE1-CB 4.28Å; Y152-I196 HydrophobicContact CE1-CG2 3.96Å
153L81.9Confident76.2Confident107 Ų10791.6 Ų91.656%0.5643%0.426SS*.Hα-helixtrans-63.6-43-179.5-175.267.8000111.3L149 V150 F156 V157L149-L153 WeakPolarHBondContact O-CB 3.31Å; L149-L153 PolarHBondContact O-N 3.18Å; V150-L153 PolarHBondContact O-N 2.97Å; L153-F156 PolarHBondContact O-N 3.25Å; L153-V157 HydrophobicContact CD1-CG2 4.41Å; L153-V157 HydrophobicContact CG-CG2 4.39Å; L153-V157 WeakPolarHBondContact O-CB 3.43Å; L153-V157 VanDerWaalsContact O-CG2 3.26Å; L153-V157 WeakPolarHBondContact O-CG2 3.4Å; L153-V157 PolarHBondContact O-N 2.76Å
154L83.9Confident76.8Confident83 Ų8391.6 Ų91.644%0.43543%0.425SS..Hα-helixtrans-60.4-50.9178.4-176.5158.3000110.8V150 F156 V157 I158V150-L154 WeakPolarHBondContact O-CB 3.3Å; V150-L154 PolarHBondContact O-N 2.76Å; L154-F156 VanDerWaalsContact C-N 3.28Å; L154-F156 PolarHBondContact O-N 2.96Å; L154-V157 PolarHBondContact O-N 3.43Å; L154-I158 HydrophobicContact CD2-CD1 3.4Å; L154-I158 VanDerWaalsContact CD2-CD1 3.4Å; L154-I158 HydrophobicContact CD2-CG1 4.21Å; L154-I158 HydrophobicContact CG-CD1 4.39Å; L154-I158 WeakPolarHBondContact O-CG1 3.32Å; L154-I158 PolarHBondContact O-N 2.93Å
155L79.2Confident77.6Confident22 Ų2284.4 Ų84.412%0.11542%0.416CS..Hα-helixtrans-62.7-37.1177.9-78.3-176.1000112.6W151 Y152 I158 S159 P181 A184 L185W151-L155 HydrophobicContact CE3-CD1 3.43Å; W151-L155 VanDerWaalsContact CE3-CD1 3.43Å; W151-L155 HydrophobicContact CE3-CG 3.93Å; W151-L155 HydrophobicContact CH2-CD1 4.02Å; W151-L155 HydrophobicContact CH2-CG 4.47Å; W151-L155 HydrophobicContact CZ3-CD1 3.16Å; W151-L155 HydrophobicContact CZ3-CD2 4.38Å; W151-L155 HydrophobicContact CZ3-CG 3.9Å; W151-L155 PolarHBondContact O-N 3.38Å; Y152-L155 PolarHBondContact O-N 3.28Å; L155-I158 PolarHBondContact O-N 3.37Å; L155-S159 VanDerWaalsContact O-CB 3.26Å; L155-S159 WeakPolarHBondContact O-CB 3.24Å; L155-S159 PolarHBondContact O-N 2.88Å; L155-P181 HydrophobicContact CB-CB 4.44Å; L155-A184 HydrophobicContact CD1-CB 3.76Å; L155-L185 HydrophobicContact CD1-CD1 4.21Å; L155-L185 HydrophobicContact CD1-CD2 3.84Å; L155-L185 HydrophobicContact CD1-CG 3.63Å
156F79.4Confident77.8Confident48 Ų4876.8 Ų76.821%0.21139%0.39CS..Hα-helixtrans-65.9-43.9176.2-179.9-112.4000112.2Y152 L153 L154 S159 L160 M200Y152-F156 WeakPolarHBondContact O-CB 3.05Å; Y152-F156 PolarHBondContact O-N 3.41Å; L153-F156 PolarHBondContact O-N 3.25Å; L154-F156 VanDerWaalsContact C-N 3.28Å; L154-F156 PolarHBondContact O-N 2.96Å; F156-S159 WeakPolarHBondContact O-CB 3.33Å; F156-S159 PolarHBondContact O-N 3.12Å; F156-L160 HydrophobicContact CE1-CD1 4.09Å; F156-L160 HydrophobicContact CZ-CD1 4.07Å; F156-L160 WeakPolarHBondContact O-CB 3.35Å; F156-L160 PolarHBondContact O-N 3.42Å; F156-M200 HydrophobicContact CB-CE 3.64Å; F156-M200 HydrophobicContact CB-SD 4.26Å; F156-M200 HydrophobicContact CD1-CE 3.58Å; F156-M200 HydrophobicContact CD2-CB 3.77Å; F156-M200 HydrophobicContact CD2-CE 3.3Å; F156-M200 HydrophobicContact CD2-CG 4.36Å; F156-M200 HydrophobicContact CD2-SD 4.03Å; F156-M200 HydrophobicContact CE1-CE 3.99Å; F156-M200 HydrophobicContact CE2-CB 3.85Å; F156-M200 HydrophobicContact CE2-CE 3.74Å; F156-M200 HydrophobicContact CG-CE 3.19Å; F156-M200 HydrophobicContact CG-SD 4.22Å; F156-M200 HydrophobicContact CZ-CE 4.05Å
157V82.9Confident77.9Confident82 Ų8279.1 Ų79.150%0.49740%0.4SS..Hα-helixtrans-63-42.7176.1170.30000110.7L153 L154 S159 L160 W161L153-V157 HydrophobicContact CD1-CG2 4.41Å; L153-V157 HydrophobicContact CG-CG2 4.39Å; L153-V157 WeakPolarHBondContact O-CB 3.43Å; L153-V157 VanDerWaalsContact O-CG2 3.26Å; L153-V157 WeakPolarHBondContact O-CG2 3.4Å; L153-V157 PolarHBondContact O-N 2.76Å; L154-V157 PolarHBondContact O-N 3.43Å; V157-S159 VanDerWaalsContact C-N 3.32Å; V157-S159 PolarHBondContact O-N 3.24Å; V157-L160 PolarHBondContact O-N 3.29Å; V157-W161 VanDerWaalsContact O-CB 3.24Å; V157-W161 WeakPolarHBondContact O-CB 3.36Å; V157-W161 PolarHBondContact O-N 3.28Å
158I81Confident77.7Confident86 Ų8675.9 Ų75.944%0.44140%0.398SS..Hα-helixtrans-60.4-44.6174-70.1178.6000110.6L154 L155 L160 W161 L162L154-I158 HydrophobicContact CD2-CD1 3.4Å; L154-I158 VanDerWaalsContact CD2-CD1 3.4Å; L154-I158 HydrophobicContact CD2-CG1 4.21Å; L154-I158 HydrophobicContact CG-CD1 4.39Å; L154-I158 WeakPolarHBondContact O-CG1 3.32Å; L154-I158 PolarHBondContact O-N 2.93Å; L155-I158 PolarHBondContact O-N 3.37Å; I158-L160 PolarHBondContact O-N 2.99Å; I158-W161 PolarHBondContact O-N 2.94Å; I158-L162 VanDerWaalsContact O-CB 3.28Å; I158-L162 WeakPolarHBondContact O-CB 3.36Å; I158-L162 PolarHBondContact O-N 3.36Å
159S76Confident77.7Confident3 Ų381.7 Ų81.72%0.02143%0.425CS..Hα-helixtrans-60.5-45178.5-167.80000112.2L155 F156 V157 Q163 L178 N201L155-S159 VanDerWaalsContact O-CB 3.26Å; L155-S159 WeakPolarHBondContact O-CB 3.24Å; L155-S159 PolarHBondContact O-N 2.88Å; F156-S159 WeakPolarHBondContact O-CB 3.33Å; F156-S159 PolarHBondContact O-N 3.12Å; V157-S159 VanDerWaalsContact C-N 3.32Å; V157-S159 PolarHBondContact O-N 3.24Å; S159-Q163 WeakPolarHBondContact O-CB 3.38Å; S159-Q163 PolarHBondContact O-N 2.85Å; S159-Q163 VanDerWaalsContact O-N 3.11Å; S159-L178 WeakPolarHBondContact OG-CD2 2.92Å; S159-N201 PolarHBondContact OG-OD1 3.17Å
160L78.5Confident77.6Confident69 Ų6979.3 Ų79.336%0.36141%0.413SS..Hα-helixtrans-69.7-40.7179.3-167.4154000111.3F156 V157 I158 Q163 L164F156-L160 HydrophobicContact CE1-CD1 4.09Å; F156-L160 HydrophobicContact CZ-CD1 4.07Å; F156-L160 WeakPolarHBondContact O-CB 3.35Å; F156-L160 PolarHBondContact O-N 3.42Å; V157-L160 PolarHBondContact O-N 3.29Å; I158-L160 PolarHBondContact O-N 2.99Å; L160-Q163 PolarHBondContact O-N 3.49Å; L160-L164 HydrophobicContact CD2-CD1 3.46Å; L160-L164 VanDerWaalsContact CD2-CD1 3.46Å; L160-L164 HydrophobicContact CD2-CG 4.09Å; L160-L164 PolarHBondContact O-N 3.28Å
161W80.4Confident77Confident185 Ų18576 Ų7670%0.70139%0.394SS*.Hα-helixtrans-61.4-45.7175.2178.977.1000111.8V157 I158 Q163 L164 G165V157-W161 VanDerWaalsContact O-CB 3.24Å; V157-W161 WeakPolarHBondContact O-CB 3.36Å; V157-W161 PolarHBondContact O-N 3.28Å; I158-W161 PolarHBondContact O-N 2.94Å; W161-Q163 PolarHBondContact O-N 2.87Å; W161-L164 PolarHBondContact O-N 2.97Å; W161-G165 PolarHBondContact O-N 3.01Å
162L74.9Confident76.6Confident47 Ų4780.1 Ų80.125%0.24641%0.409CS..Hα-helixtrans-61.5-35.4176.6-170.956.4000111.6I158 L166 C177I158-L162 VanDerWaalsContact O-CB 3.28Å; I158-L162 WeakPolarHBondContact O-CB 3.36Å; I158-L162 PolarHBondContact O-N 3.36Å; L162-L166 HydrophobicContact CD1-CG 4.49Å; L162-L166 HydrophobicContact CG-CD1 4.43Å; L162-L166 WeakPolarHBondContact O-CD1 3.43Å; L162-L166 WeakPolarHBondContact O-CG 3.37Å; L162-L166 PolarHBondContact O-N 3.49Å; L162-C177 HydrophobicContact CD2-CB 3.39Å; L162-C177 HydrophobicContact CG-CB 3.91Å
163Q72Confident76.6Confident19 Ų1983.9 Ų83.99%0.08943%0.427CS..Hα-helixtrans-71.8-39.5177.2-176.1174.119.200113.6S159 L160 W161 T174 A204S159-Q163 WeakPolarHBondContact O-CB 3.38Å; S159-Q163 PolarHBondContact O-N 2.85Å; S159-Q163 VanDerWaalsContact O-N 3.11Å; L160-Q163 PolarHBondContact O-N 3.49Å; W161-Q163 PolarHBondContact O-N 2.87Å; Q163-T174 HydrophobicContact CB-CG2 4.27Å; Q163-T174 HydrophobicContact CG-CG2 3.89Å; Q163-A204 PolarHBondContact NE2-O 3.32Å; Q163-A204 PolarHBondContact OE1-O 2.71Å
164L74.1Confident76.3Confident140 Ų14079 Ų7973%0.73340%0.402SS*.Hα-helixtrans-77.4-24.8178.7-69.1177.4000113.1L160 W161L160-L164 HydrophobicContact CD2-CD1 3.46Å; L160-L164 VanDerWaalsContact CD2-CD1 3.46Å; L160-L164 HydrophobicContact CD2-CG 4.09Å; L160-L164 PolarHBondContact O-N 3.28Å; W161-L164 PolarHBondContact O-N 2.97Å
165G73.3Confident75.8Confident59 Ų5976.3 Ų76.361%0.60839%0.389SS*.Hα-helixtrans-92-13.3-175.400000115.7W161W161-G165 PolarHBondContact O-N 3.01Å
166L73.5Confident75.8Confident40 Ų4082.5 Ų82.521%0.20942%0.415CS..SBendtrans-75.6131.1179.5-77.5165.2000110.6L162 L170L162-L166 HydrophobicContact CD1-CG 4.49Å; L162-L166 HydrophobicContact CG-CD1 4.43Å; L162-L166 WeakPolarHBondContact O-CD1 3.43Å; L162-L166 WeakPolarHBondContact O-CG 3.37Å; L162-L166 PolarHBondContact O-N 3.49Å; L166-L170 HydrophobicContact CD2-CB 4.05Å; L166-L170 HydrophobicContact CD2-CD1 4.19Å
167P75.8Confident75.6Confident75 Ų7581.7 Ų81.749%0.48742%0.415SS..  trans-63154.2173.926.7-33.9000111.1E169 L170 S171P167-E169 PolarHBondContact O-N 3.4Å; P167-E169 VanDerWaalsContact O-N 3.09Å; P167-L170 HydrophobicContact CG-CB 4.12Å; P167-L170 HydrophobicContact CG-CD1 3.76Å; P167-L170 HydrophobicContact CG-CG 3.96Å; P167-L170 CarbonylContact O-C 3.5Å; P167-L170 WeakPolarHBondContact O-CA 3.33Å; P167-L170 PolarHBondContact O-N 3.4Å; P167-S171 PolarHBondContact O-N 3.38Å; P167-S171 VanDerWaalsContact O-N 3.17Å
168D72.3Confident75.4Confident132 Ų13277.9 Ų77.971%0.70639%0.392SS*.G310 helixtrans-56.1-31.6-174.7-69.4-34.4000113.5L170 S171D168-L170 VanDerWaalsContact C-N 3.26Å; D168-L170 PolarHBondContact O-N 3.1Å; D168-S171 WeakPolarHBondContact O-CB 3.35Å; D168-S171 PolarHBondContact O-N 3.36Å; D168-S171 VanDerWaalsContact O-N 3.16Å; D168-S171 PolarHBondContact O-OG 2.89Å
169E76.5Confident75.4Confident178 Ų17875.1 Ų75.183%0.83238%0.382SS*.G310 helixtrans-62.9-32.9174.3-62.7-179-176.200112.6P167P167-E169 PolarHBondContact O-N 3.4Å; P167-E169 VanDerWaalsContact O-N 3.09Å
170L73.6Confident75.8Confident72 Ų7280.5 Ų80.538%0.37741%0.41SS..G310 helixtrans-93.71.4177.6-62.8178.2000113L166 P167 D168 R172 F173L166-L170 HydrophobicContact CD2-CB 4.05Å; L166-L170 HydrophobicContact CD2-CD1 4.19Å; P167-L170 HydrophobicContact CG-CB 4.12Å; P167-L170 HydrophobicContact CG-CD1 3.76Å; P167-L170 HydrophobicContact CG-CG 3.96Å; P167-L170 CarbonylContact O-C 3.5Å; P167-L170 WeakPolarHBondContact O-CA 3.33Å; P167-L170 PolarHBondContact O-N 3.4Å; D168-L170 VanDerWaalsContact C-N 3.26Å; D168-L170 PolarHBondContact O-N 3.1Å; L170-R172 PolarHBondContact O-N 2.84Å; L170-R172 VanDerWaalsContact O-N 3.15Å; L170-F173 HydrophobicContact CB-CD2 4.32Å; L170-F173 HydrophobicContact CD2-CD2 3.63Å; L170-F173 HydrophobicContact CD2-CE2 3.79Å; L170-F173 WeakPolarHBondContact O-CA 3.43Å; L170-F173 WeakPolarHBondContact O-CB 3.1Å; L170-F173 PolarHBondContact O-N 2.83Å
171S69.9Low76.1Confident23 Ų2377.6 Ų77.616%0.16140%0.395CS..G310 helixtrans-54.8-35.1178.461.30000112.9P167 D168 F173 T174 T210 W211P167-S171 PolarHBondContact O-N 3.38Å; P167-S171 VanDerWaalsContact O-N 3.17Å; D168-S171 WeakPolarHBondContact O-CB 3.35Å; D168-S171 PolarHBondContact O-N 3.36Å; D168-S171 VanDerWaalsContact O-N 3.16Å; D168-S171 PolarHBondContact O-OG 2.89Å; S171-F173 PolarHBondContact O-N 2.81Å; S171-T174 WeakPolarHBondContact O-CB 3.4Å; S171-T174 PolarHBondContact O-N 3.39Å; S171-T174 VanDerWaalsContact O-N 3.07Å; S171-T174 PolarHBondContact O-OG1 2.84Å; S171-T210 VanDerWaalsContact CB-CG2 3.47Å; S171-W211 WeakPolarHBondContact O-CZ2 3.25Å
172R72.4Confident76.4Confident177 Ų17768.9 Ų68.967%0.66836%0.362SS*.G310 helixtrans-65.7-18.4175.5-64.1-175.3-177.51772113.6L170 P175L170-R172 PolarHBondContact O-N 2.84Å; L170-R172 VanDerWaalsContact O-N 3.15Å; R172-P175 WeakPolarHBondContact O-CD 3.49Å
173F76.4Confident77Confident115 Ų11570.5 Ų70.550%0.50437%0.37SS..G310 helixtrans-85.6-12.7174.4-68.1-85.1000113.5L170 S171 P175 F176 C177L170-F173 HydrophobicContact CB-CD2 4.32Å; L170-F173 HydrophobicContact CD2-CD2 3.63Å; L170-F173 HydrophobicContact CD2-CE2 3.79Å; L170-F173 WeakPolarHBondContact O-CA 3.43Å; L170-F173 WeakPolarHBondContact O-CB 3.1Å; L170-F173 PolarHBondContact O-N 2.83Å; S171-F173 PolarHBondContact O-N 2.81Å; F173-P175 VanDerWaalsContact C-N 3.32Å; F173-F176 HydrophobicContact CD1-CD2 4.15Å; F173-F176 HydrophobicContact CD1-CE2 4.42Å; F173-F176 WeakPolarHBondContact O-CB 3.46Å; F173-F176 PolarHBondContact O-N 2.78Å; F173-C177 PolarHBondContact O-N 2.9Å
174T75.4Confident77.7Confident5 Ų570.7 Ų70.73%0.03138%0.375CS..Hα-helixtrans-48.4-45178.7-51.60000113.1Q163 S171 F176 C177 L178 L205Q163-T174 HydrophobicContact CB-CG2 4.27Å; Q163-T174 HydrophobicContact CG-CG2 3.89Å; S171-T174 WeakPolarHBondContact O-CB 3.4Å; S171-T174 PolarHBondContact O-N 3.39Å; S171-T174 VanDerWaalsContact O-N 3.07Å; S171-T174 PolarHBondContact O-OG1 2.84Å; T174-F176 VanDerWaalsContact C-N 3.26Å; T174-F176 PolarHBondContact O-N 3.41Å; T174-C177 WeakPolarHBondContact O-CB 3.37Å; T174-C177 PolarHBondContact O-N 2.92Å; T174-L178 HydrophobicContact CG2-CD1 4.07Å; T174-L178 HydrophobicContact CG2-CG 4.26Å; T174-L178 VanDerWaalsContact O-CG 3.29Å; T174-L178 WeakPolarHBondContact O-CG 3.29Å; T174-L178 PolarHBondContact O-N 3.46Å; T174-L205 HydrophobicContact CG2-CD2 4.45Å
175P74.4Confident78.3Confident26 Ų2664.2 Ų64.217%0.16934%0.341CS..Hα-helixtrans-61.8-29.9-179.5-22.835.4000114.2R172 F173 L178 A179 W211 S221R172-P175 WeakPolarHBondContact O-CD 3.49Å; F173-P175 VanDerWaalsContact C-N 3.32Å; P175-L178 PolarHBondContact O-N 3.3Å; P175-A179 PolarHBondContact O-N 2.79Å; P175-W211 HydrophobicContact CG-CH2 4Å; P175-W211 HydrophobicContact CG-CZ2 3.98Å; P175-S221 WeakPolarHBondContact CG-OG 3.41Å
176F78.7Confident79.1Confident151 Ų15161.4 Ų61.466%0.66231%0.312SS*.Hα-helixtrans-71.3-42.4176.3-63.6-81.3000111.3F173 T174 L178 A179F173-F176 HydrophobicContact CD1-CD2 4.15Å; F173-F176 HydrophobicContact CD1-CE2 4.42Å; F173-F176 WeakPolarHBondContact O-CB 3.46Å; F173-F176 PolarHBondContact O-N 2.78Å; T174-F176 VanDerWaalsContact C-N 3.26Å; T174-F176 PolarHBondContact O-N 3.41Å; F176-L178 PolarHBondContact O-N 2.84Å; F176-A179 VanDerWaalsContact O-CB 3.31Å; F176-A179 WeakPolarHBondContact O-CB 3.49Å; F176-A179 PolarHBondContact O-N 2.96Å; F176-A179 VanDerWaalsContact O-N 3.09Å
177C76.7Confident79.7Confident31 Ų3167.6 Ų67.621%0.20933%0.333CS..Hα-helixtrans-58-38.6172.5-70.90000111.8L162 F173 T174 A179 L180 P181L162-C177 HydrophobicContact CD2-CB 3.39Å; L162-C177 HydrophobicContact CG-CB 3.91Å; F173-C177 PolarHBondContact O-N 2.9Å; T174-C177 WeakPolarHBondContact O-CB 3.37Å; T174-C177 PolarHBondContact O-N 2.92Å; C177-A179 PolarHBondContact O-N 2.59Å; C177-L180 PolarHBondContact O-N 3.31Å; C177-P181 WeakPolarHBondContact O-CD 3.37Å
178L77.5Confident80Confident2 Ų268.9 Ų68.91%0.0133%0.332CS..THydrogen-bonded Turntrans-70.2-14.4177.4-65.7177.1000113.9S159 T174 P175 F176 L180 P181 N201 L205S159-L178 WeakPolarHBondContact OG-CD2 2.92Å; T174-L178 HydrophobicContact CG2-CD1 4.07Å; T174-L178 HydrophobicContact CG2-CG 4.26Å; T174-L178 VanDerWaalsContact O-CG 3.29Å; T174-L178 WeakPolarHBondContact O-CG 3.29Å; T174-L178 PolarHBondContact O-N 3.46Å; P175-L178 PolarHBondContact O-N 3.3Å; F176-L178 PolarHBondContact O-N 2.84Å; L178-L180 VanDerWaalsContact C-N 3.3Å; L178-P181 WeakPolarHBondContact O-CD 3.13Å; L178-N201 HydrophobicContact CD1-CB 4.49Å; L178-N201 HydrophobicContact CD2-CB 4.43Å; L178-N201 PolarHBondContact O-ND2 2.91Å; L178-L205 HydrophobicContact CD1-CD1 3.84Å; L178-L205 HydrophobicContact CD1-CD2 3.59Å; L178-L205 HydrophobicContact CD1-CG 3.54Å
179A80.9Confident80.6Confident29 Ų2964.7 Ų64.724%0.2431%0.307CS..Hα-helixtrans-70-28173.100000112.2P175 F176 C177 I182 I183P175-A179 PolarHBondContact O-N 2.79Å; F176-A179 VanDerWaalsContact O-CB 3.31Å; F176-A179 WeakPolarHBondContact O-CB 3.49Å; F176-A179 PolarHBondContact O-N 2.96Å; F176-A179 VanDerWaalsContact O-N 3.09Å; C177-A179 PolarHBondContact O-N 2.59Å; A179-I182 PolarHBondContact O-N 2.92Å; A179-I183 HydrophobicContact CB-CD1 4.42Å; A179-I183 VanDerWaalsContact O-CG1 3.29Å; A179-I183 WeakPolarHBondContact O-CG1 3.41Å; A179-I183 PolarHBondContact O-N 3.37Å
180L84.7Confident81.1Confident115 Ų11556.2 Ų56.260%0.60227%0.267SS*.Hα-helixtrans-61.8-50.2-176.2-66.4170.4000112.9C177 L178 I182 I183 A184C177-L180 PolarHBondContact O-N 3.31Å; L178-L180 VanDerWaalsContact C-N 3.3Å; L180-I182 VanDerWaalsContact C-N 3.31Å; L180-I182 PolarHBondContact O-N 3.36Å; L180-I183 PolarHBondContact O-N 3.07Å; L180-A184 WeakPolarHBondContact O-CB 3.36Å; L180-A184 PolarHBondContact O-N 3.04Å
181P84Confident81.9Confident9 Ų953.1 Ų53.16%0.05825%0.251CS..Hα-helixtrans-60.1-37.8174.1-24.332.7000113.6L155 C177 L178 A184 L185L155-P181 HydrophobicContact CB-CB 4.44Å; C177-P181 WeakPolarHBondContact O-CD 3.37Å; L178-P181 WeakPolarHBondContact O-CD 3.13Å; P181-A184 PolarHBondContact O-N 3.1Å; P181-L185 VanDerWaalsContact O-CB 3.29Å; P181-L185 WeakPolarHBondContact O-CB 3.4Å; P181-L185 WeakPolarHBondContact O-CG 3.37Å; P181-L185 PolarHBondContact O-N 3.41Å
182I87.5Confident82.9Confident1 Ų155.2 Ų55.21%0.00526%0.258CS..Hα-helixtrans-62.3-48.4178.5-61.8167000109.5A179 L180 A186 A197 T198 Q225 L232A179-I182 PolarHBondContact O-N 2.92Å; L180-I182 VanDerWaalsContact C-N 3.31Å; L180-I182 PolarHBondContact O-N 3.36Å; I182-A186 WeakPolarHBondContact O-CB 3.25Å; I182-A186 PolarHBondContact O-N 2.83Å; I182-A197 HydrophobicContact CB-CB 4.31Å; I182-A197 HydrophobicContact CG1-CB 3.89Å; I182-T198 HydrophobicContact CD1-CG2 3.77Å; I182-T198 HydrophobicContact CG1-CG2 4.09Å; I182-T198 HydrophobicContact CG2-CG2 4.29Å; I182-Q225 HydrophobicContact CD1-CB 4.2Å; I182-Q225 HydrophobicContact CD1-CG 4.28Å; I182-L232 HydrophobicContact CG2-CD2 4.47Å
183I88.5Confident83.6Confident81 Ų8146.8 Ų46.842%0.41523%0.226SC..Hα-helixtrans-63-47.5179.4-65.3162.8000111A179 L180 A186 W187 L232A179-I183 HydrophobicContact CB-CD1 4.42Å; A179-I183 VanDerWaalsContact O-CG1 3.29Å; A179-I183 WeakPolarHBondContact O-CG1 3.41Å; A179-I183 PolarHBondContact O-N 3.37Å; L180-I183 PolarHBondContact O-N 3.07Å; I183-A186 PolarHBondContact O-N 2.97Å; I183-W187 WeakPolarHBondContact O-CB 3.44Å; I183-W187 PolarHBondContact O-N 3.05Å; I183-L232 HydrophobicContact CB-CD2 4.22Å; I183-L232 HydrophobicContact CG1-CD2 3.76Å
184A86.4Confident84.4Confident23 Ų2341.3 Ų41.319%0.1920%0.202CC..Hα-helixtrans-63.8-45.7-177.900000112.2W151 L155 L180 P181 W187 H188W151-A184 HydrophobicContact CH2-CB 3.91Å; W151-A184 HydrophobicContact CZ3-CB 3.8Å; L155-A184 HydrophobicContact CD1-CB 3.76Å; L180-A184 WeakPolarHBondContact O-CB 3.36Å; L180-A184 PolarHBondContact O-N 3.04Å; P181-A184 PolarHBondContact O-N 3.1Å; A184-W187 PolarHBondContact O-N 3.45Å; A184-H188 PolarHBondContact O-CD2 3.42Å; A184-H188 VanDerWaalsContact O-CD2 3.3Å; A184-H188 PolarHBondContact O-N 3.43Å; A184-H188 VanDerWaalsContact O-N 3.16Å
185L86.4Confident85.1Confident4 Ų441.2 Ų41.22%0.02120%0.202CC..Hα-helixtrans-71.1-33.7177.3-69.6170.7000112.1W151 Y152 L155 P181 H188 Y189 A197W151-L185 HydrophobicContact CE3-CD2 4.12Å; W151-L185 HydrophobicContact CZ3-CD2 4.48Å; Y152-L185 HydrophobicContact CD1-CD1 3.49Å; Y152-L185 VanDerWaalsContact CD1-CD1 3.49Å; Y152-L185 HydrophobicContact CD1-CD2 3.45Å; Y152-L185 VanDerWaalsContact CD1-CD2 3.45Å; Y152-L185 HydrophobicContact CD1-CG 4.07Å; Y152-L185 HydrophobicContact CD2-CD2 4.34Å; Y152-L185 HydrophobicContact CE1-CB 4.29Å; Y152-L185 HydrophobicContact CE1-CD1 3.58Å; Y152-L185 HydrophobicContact CE1-CD2 3.39Å; Y152-L185 HydrophobicContact CE1-CG 3.92Å; Y152-L185 HydrophobicContact CE2-CD2 4.26Å; Y152-L185 HydrophobicContact CG-CD2 3.93Å; L155-L185 HydrophobicContact CD1-CD1 4.21Å; L155-L185 HydrophobicContact CD1-CD2 3.84Å; L155-L185 HydrophobicContact CD1-CG 3.63Å; P181-L185 VanDerWaalsContact O-CB 3.29Å; P181-L185 WeakPolarHBondContact O-CB 3.4Å; P181-L185 WeakPolarHBondContact O-CG 3.37Å; P181-L185 PolarHBondContact O-N 3.41Å; L185-H188 PolarHBondContact O-N 3.39Å; L185-Y189 HydrophobicContact CB-CD2 4.47Å; L185-Y189 HydrophobicContact CD2-CD2 3.73Å; L185-Y189 HydrophobicContact CD2-CE2 3.65Å; L185-Y189 WeakPolarHBondContact O-CA 3.49Å; L185-Y189 WeakPolarHBondContact O-CB 3.46Å; L185-Y189 WeakPolarHBondContact O-CD2 3.46Å; L185-Y189 PolarHBondContact O-N 3.44Å; L185-A197 HydrophobicContact CB-CB 4.19Å; L185-A197 HydrophobicContact CD1-CB 3.6Å; L185-A197 HydrophobicContact CG-CB 4.47Å
186A88.9Confident85.8Confident0 Ų042.9 Ų42.90%021%0.208CC..Hα-helixtrans-64.9-40.8172.600000111.5I182 I183 H188 G190 A194 L232 I236I182-A186 WeakPolarHBondContact O-CB 3.25Å; I182-A186 PolarHBondContact O-N 2.83Å; I183-A186 PolarHBondContact O-N 2.97Å; A186-H188 PolarHBondContact O-N 3.45Å; A186-G190 WeakPolarHBondContact CA-O 3.16Å; A186-G190 WeakPolarHBondContact O-CA 3.36Å; A186-G190 PolarHBondContact O-N 2.92Å; A186-A194 HydrophobicContact CB-CB 3.67Å; A186-L232 HydrophobicContact CB-CD2 3.81Å; A186-L232 HydrophobicContact CB-CG 4.19Å; A186-I236 HydrophobicContact CB-CD1 3.67Å; A186-I236 WeakPolarHBondContact O-CG2 3.48Å
187W86.7Confident86.3Confident171 Ų17135.8 Ų35.865%0.64818%0.177SC*.Hα-helixtrans-64.6-37.3178.3-169.2-93.6000113.1I183 A184 I236 R240I183-W187 WeakPolarHBondContact O-CB 3.44Å; I183-W187 PolarHBondContact O-N 3.05Å; A184-W187 PolarHBondContact O-N 3.45Å; W187-I236 HydrophobicContact CE3-CD1 4.44Å; W187-R240 PolarHBondContact O-NH2 3.18Å
188H83.1Confident86.9Confident102 Ų10234.7 Ų34.747%0.47217%0.17SC..Hα-helixtrans-89-35.3-179.2-75.6-65.3000114.1W151 A184 L185 A186 R240W151-H188 AromaticContact CH2-CD2 3.63Å; W151-H188 AromaticContact CH2-NE2 3.79Å; W151-H188 AromaticContact CZ3-CD2 3.6Å; A184-H188 PolarHBondContact O-CD2 3.42Å; A184-H188 VanDerWaalsContact O-CD2 3.3Å; A184-H188 PolarHBondContact O-N 3.43Å; A184-H188 VanDerWaalsContact O-N 3.16Å; L185-H188 PolarHBondContact O-N 3.39Å; A186-H188 PolarHBondContact O-N 3.45Å; H188-R240 PolarHBondContact O-NH2 3.11Å
189Y84.3Confident87.5Confident43 Ų4337.2 Ų37.217%0.16918%0.183CC..Hα-helixtrans-120.26.3-172.6-54.2-79.3000114.2H148 Y152 L185H148-Y189 VanDerWaalsContact CA-OH 3.25Å; H148-Y189 WeakPolarHBondContact CA-OH 3.34Å; H148-Y189 HydrophobicContact CB-CE1 3.78Å; H148-Y189 WeakPolarHBondContact CB-OH 3.33Å; H148-Y189 AromaticContact CE1-CE1 3.76Å; H148-Y189 AromaticContact CG-CE1 3.51Å; H148-Y189 AromaticContact CG-CZ 3.88Å; H148-Y189 AromaticContact ND1-CE1 3.25Å; H148-Y189 WeakPolarHBondContact ND1-CE1 3.36Å; H148-Y189 AromaticContact ND1-CZ 3.45Å; H148-Y189 PolarHBondContact ND1-OH 3.12Å; Y152-Y189 HydrophobicContact CD2-CE2 4.24Å; Y152-Y189 HydrophobicContact CE1-CD2 4.46Å; Y152-Y189 HydrophobicContact CE2-CD1 4.17Å; Y152-Y189 AromaticContact CE2-CD2 3.73Å; Y152-Y189 HydrophobicContact CE2-CD2 3.73Å; Y152-Y189 HydrophobicContact CE2-CE1 4.04Å; Y152-Y189 AromaticContact CE2-CE2 3.59Å; Y152-Y189 HydrophobicContact CE2-CE2 3.59Å; Y152-Y189 HydrophobicContact CE2-CG 4.02Å; Y152-Y189 AromaticContact CE2-CZ 3.77Å; Y152-Y189 AromaticContact CZ-CD2 3.57Å; Y152-Y189 AromaticContact CZ-CE2 3.89Å; Y152-Y189 AromaticContact CZ-CG 3.88Å; Y152-Y189 VanDerWaalsContact OH-CB 3.31Å; Y152-Y189 WeakPolarHBondContact OH-CB 3.41Å; Y152-Y189 VanDerWaalsContact OH-CD2 3.22Å; Y152-Y189 WeakPolarHBondContact OH-CD2 3.29Å; L185-Y189 HydrophobicContact CB-CD2 4.47Å; L185-Y189 HydrophobicContact CD2-CD2 3.73Å; L185-Y189 HydrophobicContact CD2-CE2 3.65Å; L185-Y189 WeakPolarHBondContact O-CA 3.49Å; L185-Y189 WeakPolarHBondContact O-CB 3.46Å; L185-Y189 WeakPolarHBondContact O-CD2 3.46Å; L185-Y189 PolarHBondContact O-N 3.44Å
190G87.2Confident87.7Confident0 Ų038.2 Ų38.20%018%0.183CC..Hα-helixtrans66.9-143.7178.400000111A186 Q192 G193 A194 R240A186-G190 WeakPolarHBondContact CA-O 3.16Å; A186-G190 WeakPolarHBondContact O-CA 3.36Å; A186-G190 PolarHBondContact O-N 2.92Å; G190-Q192 VanDerWaalsContact C-N 3.34Å; G190-Q192 PolarHBondContact O-N 2.9Å; G190-G193 PolarHBondContact O-N 3.5Å; G190-A194 PolarHBondContact O-N 3.13Å; G190-R240 VanDerWaalsContact N-CZ 3.3Å; G190-R240 VanDerWaalsContact N-NH1 3.11Å
191W89.8Confident87.9Confident7 Ų732.8 Ų32.83%0.02716%0.155CC..Hα-helixtrans-65-34.3-175.171.3-88.9000114.2D71 L75 L119 V120 H123 A194 L195 Q237D71-W191 PolarHBondContact OD2-NE1 3.24Å; L75-W191 HydrophobicContact CD1-CB 3.35Å; L75-W191 HydrophobicContact CD1-CD2 3.84Å; L75-W191 HydrophobicContact CD1-CE3 4.01Å; L75-W191 HydrophobicContact CD1-CG 3.58Å; L75-W191 HydrophobicContact CD2-CE3 3.85Å; L75-W191 HydrophobicContact CD2-CZ3 4.33Å; L75-W191 HydrophobicContact CG-CE3 4.38Å; L119-W191 HydrophobicContact CD2-CE3 4.45Å; L119-W191 HydrophobicContact CD2-CH2 4.21Å; L119-W191 HydrophobicContact CD2-CZ3 3.82Å; L119-W191 HydrophobicContact CG-CH2 3.92Å; L119-W191 HydrophobicContact CG-CZ3 3.87Å; V120-W191 HydrophobicContact CB-CZ3 4.46Å; V120-W191 HydrophobicContact CG2-CE3 4.37Å; V120-W191 HydrophobicContact CG2-CH2 4.27Å; V120-W191 HydrophobicContact CG2-CZ3 3.62Å; H123-W191 HydrophobicContact CB-CH2 3.81Å; H123-W191 HydrophobicContact CB-CZ2 4.01Å; H123-W191 AromaticContact CD2-CZ2 3.92Å; H123-W191 AromaticContact CE1-CZ2 3.84Å; H123-W191 AromaticContact CG-CH2 3.95Å; H123-W191 AromaticContact CG-CZ2 3.6Å; H123-W191 AromaticContact ND1-CZ2 3.58Å; W191-A194 PolarHBondContact O-N 2.91Å; W191-L195 HydrophobicContact CE3-CD1 3.53Å; W191-L195 HydrophobicContact CE3-CG 4.38Å; W191-L195 HydrophobicContact CZ3-CD1 3.67Å; W191-L195 WeakPolarHBondContact O-CG 3.24Å; W191-L195 PolarHBondContact O-N 3.49Å; W191-Q237 HydrophobicContact CB-CB 4.41Å
192Q90.2Very high88.1Confident67 Ų6732.8 Ų32.831%0.31316%0.156SC..Hα-helixtrans-63.4-44.7179.6-65.5177.1-13.700111.3H123 G190 L195 I196H123-Q192 PolarHBondContact CD2-NE2 3.12Å; G190-Q192 VanDerWaalsContact C-N 3.34Å; G190-Q192 PolarHBondContact O-N 2.9Å; Q192-L195 PolarHBondContact O-N 3.46Å; Q192-I196 VanDerWaalsContact O-CG1 3.28Å; Q192-I196 WeakPolarHBondContact O-CG1 3.42Å; Q192-I196 PolarHBondContact O-N 3.31Å
193G89.1Confident88Confident0 Ų037.4 Ų37.40%018%0.179CC..Hα-helixtrans-65.5-39.8177.300000112.8Y152 G190 L195 A197Y152-G193 WeakPolarHBondContact OH-CA 3.28Å; G190-G193 PolarHBondContact O-N 3.5Å; G193-L195 VanDerWaalsContact C-N 3.33Å; G193-L195 PolarHBondContact O-N 2.7Å; G193-A197 WeakPolarHBondContact O-CB 3.43Å; G193-A197 PolarHBondContact O-N 2.88Å
194A91.2Very high87.8Confident0 Ų033.9 Ų33.90%016%0.163CC..Hα-helixtrans-57.7-47.1174.900000111.2A186 G190 W191 A197 T198 G229A186-A194 HydrophobicContact CB-CB 3.67Å; G190-A194 PolarHBondContact O-N 3.13Å; W191-A194 PolarHBondContact O-N 2.91Å; A194-A197 PolarHBondContact O-N 3.31Å; A194-T198 WeakPolarHBondContact O-CG2 3.43Å; A194-T198 PolarHBondContact O-N 2.88Å; A194-T198 PolarHBondContact O-OG1 2.8Å; A194-G229 VanDerWaalsContact CB-O 3.31Å; A194-G229 WeakPolarHBondContact CB-O 3.24Å
195L91.7Very high87.6Confident4 Ų432.8 Ų32.82%0.02115%0.154CC..Hα-helixtrans-70.1-41.4-178.3-67.5-176.9000113.3L75 P116 V120 W191 Q192 G193 A197 T198 L199 L230L75-L195 HydrophobicContact CD2-CD1 4.08Å; P116-L195 HydrophobicContact CB-CD1 3.57Å; P116-L195 HydrophobicContact CB-CD2 3.54Å; P116-L195 HydrophobicContact CB-CG 4.15Å; P116-L195 HydrophobicContact CG-CD2 4.34Å; V120-L195 HydrophobicContact CG2-CB 3.88Å; V120-L195 HydrophobicContact CG2-CD1 3.6Å; V120-L195 HydrophobicContact CG2-CG 4.41Å; W191-L195 HydrophobicContact CE3-CD1 3.53Å; W191-L195 HydrophobicContact CE3-CG 4.38Å; W191-L195 HydrophobicContact CZ3-CD1 3.67Å; W191-L195 WeakPolarHBondContact O-CG 3.24Å; W191-L195 PolarHBondContact O-N 3.49Å; Q192-L195 PolarHBondContact O-N 3.46Å; G193-L195 VanDerWaalsContact C-N 3.33Å; G193-L195 PolarHBondContact O-N 2.7Å; L195-A197 VanDerWaalsContact C-N 3.32Å; L195-T198 VanDerWaalsContact CA-OG1 3.29Å; L195-T198 WeakPolarHBondContact CA-OG1 3.43Å; L195-T198 PolarHBondContact O-N 2.93Å; L195-T198 PolarHBondContact O-OG1 3.3Å; L195-L199 PolarHBondContact O-N 2.89Å; L195-L230 HydrophobicContact CD2-CD2 3.84Å; L195-L230 HydrophobicContact CD2-CG 4.05Å
196I88.8Confident87.5Confident60 Ų6037.6 Ų37.631%0.30818%0.178SC..Hα-helixtrans-62.7-43.4175-67.7166.8000109.9Y152 Q192 T198 L199 M200Y152-I196 HydrophobicContact CD1-CG2 4.25Å; Y152-I196 HydrophobicContact CE1-CB 4.28Å; Y152-I196 HydrophobicContact CE1-CG2 3.96Å; Q192-I196 VanDerWaalsContact O-CG1 3.28Å; Q192-I196 WeakPolarHBondContact O-CG1 3.42Å; Q192-I196 PolarHBondContact O-N 3.31Å; I196-T198 PolarHBondContact O-N 2.99Å; I196-L199 WeakPolarHBondContact O-CB 3.46Å; I196-L199 PolarHBondContact O-N 2.84Å; I196-M200 HydrophobicContact CG2-CG 4.42Å; I196-M200 HydrophobicContact CG2-SD 4.32Å; I196-M200 WeakPolarHBondContact O-CG 3.32Å; I196-M200 PolarHBondContact O-N 3.24Å
197A88.4Confident87.2Confident2 Ų241.1 Ų41.12%0.01721%0.208CC..Hα-helixtrans-60.4-44.9175.900000111.9I182 L185 G193 A194 L195 L199 M200 N201I182-A197 HydrophobicContact CB-CB 4.31Å; I182-A197 HydrophobicContact CG1-CB 3.89Å; L185-A197 HydrophobicContact CB-CB 4.19Å; L185-A197 HydrophobicContact CD1-CB 3.6Å; L185-A197 HydrophobicContact CG-CB 4.47Å; G193-A197 WeakPolarHBondContact O-CB 3.43Å; G193-A197 PolarHBondContact O-N 2.88Å; A194-A197 PolarHBondContact O-N 3.31Å; L195-A197 VanDerWaalsContact C-N 3.32Å; A197-L199 VanDerWaalsContact C-N 3.29Å; A197-L199 PolarHBondContact O-N 2.89Å; A197-M200 PolarHBondContact O-N 2.81Å; A197-N201 WeakPolarHBondContact O-CB 3.42Å; A197-N201 VanDerWaalsContact O-CG 3.31Å; A197-N201 PolarHBondContact O-N 3Å
198T90.5Very high86.8Confident9 Ų934 Ų346%0.05518%0.184CC..Hα-helixtrans-61.6-37.9176.351.30000112.5I182 A194 L195 I196 A202 Q225I182-T198 HydrophobicContact CD1-CG2 3.77Å; I182-T198 HydrophobicContact CG1-CG2 4.09Å; I182-T198 HydrophobicContact CG2-CG2 4.29Å; A194-T198 WeakPolarHBondContact O-CG2 3.43Å; A194-T198 PolarHBondContact O-N 2.88Å; A194-T198 PolarHBondContact O-OG1 2.8Å; L195-T198 VanDerWaalsContact CA-OG1 3.29Å; L195-T198 WeakPolarHBondContact CA-OG1 3.43Å; L195-T198 PolarHBondContact O-N 2.93Å; L195-T198 PolarHBondContact O-OG1 3.3Å; I196-T198 PolarHBondContact O-N 2.99Å; T198-A202 VanDerWaalsContact O-CB 3.24Å; T198-A202 WeakPolarHBondContact O-CB 3.35Å; T198-A202 PolarHBondContact O-N 2.95Å; T198-Q225 WeakPolarHBondContact CG2-O 3.4Å
199L88.9Confident86.4Confident54 Ų5436.1 Ų36.128%0.28319%0.194SC..Hα-helixtrans-66.1-47.7176.3172.157.7000111.4I117 L195 I196 A197 N201 A202 I203I117-L199 HydrophobicContact CD1-CB 3.95Å; I117-L199 HydrophobicContact CD1-CD1 3.41Å; I117-L199 VanDerWaalsContact CD1-CD1 3.41Å; I117-L199 HydrophobicContact CD1-CD2 3.75Å; I117-L199 HydrophobicContact CD1-CG 3.86Å; I117-L199 HydrophobicContact CG1-CB 4.31Å; I117-L199 HydrophobicContact CG1-CD2 4.13Å; I117-L199 HydrophobicContact CG2-CD2 4.18Å; L195-L199 PolarHBondContact O-N 2.89Å; I196-L199 WeakPolarHBondContact O-CB 3.46Å; I196-L199 PolarHBondContact O-N 2.84Å; A197-L199 VanDerWaalsContact C-N 3.29Å; A197-L199 PolarHBondContact O-N 2.89Å; L199-N201 VanDerWaalsContact C-N 3.3Å; L199-N201 PolarHBondContact O-N 3.32Å; L199-A202 WeakPolarHBondContact O-CB 3.34Å; L199-A202 PolarHBondContact O-N 2.92Å; L199-A202 VanDerWaalsContact O-N 3.17Å; L199-I203 HydrophobicContact CD1-CD1 3.88Å; L199-I203 HydrophobicContact CD1-CG1 4.14Å; L199-I203 HydrophobicContact CG-CD1 4.04Å; L199-I203 WeakPolarHBondContact O-CG1 3.29Å; L199-I203 PolarHBondContact O-N 2.77Å
200M86.4Confident85.9Confident50 Ų5036.9 Ų36.925%0.24620%0.203CC..Hα-helixtrans-61.2-42.4179.3-68.9-170.589.200111.4F156 I196 A197 I203 A204F156-M200 HydrophobicContact CB-CE 3.64Å; F156-M200 HydrophobicContact CB-SD 4.26Å; F156-M200 HydrophobicContact CD1-CE 3.58Å; F156-M200 HydrophobicContact CD2-CB 3.77Å; F156-M200 HydrophobicContact CD2-CE 3.3Å; F156-M200 HydrophobicContact CD2-CG 4.36Å; F156-M200 HydrophobicContact CD2-SD 4.03Å; F156-M200 HydrophobicContact CE1-CE 3.99Å; F156-M200 HydrophobicContact CE2-CB 3.85Å; F156-M200 HydrophobicContact CE2-CE 3.74Å; F156-M200 HydrophobicContact CG-CE 3.19Å; F156-M200 HydrophobicContact CG-SD 4.22Å; F156-M200 HydrophobicContact CZ-CE 4.05Å; I196-M200 HydrophobicContact CG2-CG 4.42Å; I196-M200 HydrophobicContact CG2-SD 4.32Å; I196-M200 WeakPolarHBondContact O-CG 3.32Å; I196-M200 PolarHBondContact O-N 3.24Å; A197-M200 PolarHBondContact O-N 2.81Å; M200-I203 PolarHBondContact O-N 2.87Å; M200-A204 WeakPolarHBondContact O-CB 3.42Å; M200-A204 PolarHBondContact O-N 2.81Å
201N87.2Confident85.4Confident2 Ų237.7 Ų37.71%0.01121%0.206CC..Hα-helixtrans-66.6-37.4175.1-72.2-10.9000112.2S159 L178 A197 L199 A204 L205S159-N201 PolarHBondContact OG-OD1 3.17Å; L178-N201 HydrophobicContact CD1-CB 4.49Å; L178-N201 HydrophobicContact CD2-CB 4.43Å; L178-N201 PolarHBondContact O-ND2 2.91Å; A197-N201 WeakPolarHBondContact O-CB 3.42Å; A197-N201 VanDerWaalsContact O-CG 3.31Å; A197-N201 PolarHBondContact O-N 3Å; L199-N201 VanDerWaalsContact C-N 3.3Å; L199-N201 PolarHBondContact O-N 3.32Å; N201-A204 PolarHBondContact O-N 2.87Å; N201-L205 WeakPolarHBondContact O-CB 3.33Å; N201-L205 WeakPolarHBondContact O-CG 3.31Å; N201-L205 PolarHBondContact O-N 2.85Å
202A88.3Confident84.7Confident9 Ų946.2 Ų46.27%0.07424%0.238CC..Hα-helixtrans-61.8-44.2174.900000111.6T198 L199 A204 L205 I206 L222T198-A202 VanDerWaalsContact O-CB 3.24Å; T198-A202 WeakPolarHBondContact O-CB 3.35Å; T198-A202 PolarHBondContact O-N 2.95Å; L199-A202 WeakPolarHBondContact O-CB 3.34Å; L199-A202 PolarHBondContact O-N 2.92Å; L199-A202 VanDerWaalsContact O-N 3.17Å; A202-A204 VanDerWaalsContact C-N 3.35Å; A202-L205 PolarHBondContact O-N 3.38Å; A202-I206 WeakPolarHBondContact O-CB 3.33Å; A202-I206 WeakPolarHBondContact O-CD1 3.34Å; A202-I206 WeakPolarHBondContact O-CG1 3.42Å; A202-I206 PolarHBondContact O-N 3.18Å; A202-L222 VanDerWaalsContact CA-CD2 3.43Å; A202-L222 HydrophobicContact CB-CD2 3.49Å; A202-L222 VanDerWaalsContact CB-CD2 3.49Å
203I86.4Confident84.2Confident97 Ų9749.6 Ų49.650%0.49726%0.259SS..Hα-helixtrans-61.7-44.9174.8-66.1164.8000110.2L199 M200 I206 A207L199-I203 HydrophobicContact CD1-CD1 3.88Å; L199-I203 HydrophobicContact CD1-CG1 4.14Å; L199-I203 HydrophobicContact CG-CD1 4.04Å; L199-I203 WeakPolarHBondContact O-CG1 3.29Å; L199-I203 PolarHBondContact O-N 2.77Å; M200-I203 PolarHBondContact O-N 2.87Å; I203-I206 PolarHBondContact O-N 3.13Å; I203-A207 WeakPolarHBondContact O-CB 3.12Å; I203-A207 PolarHBondContact O-N 3.3Å
204A83.1Confident84Confident8 Ų854.1 Ų54.17%0.06628%0.28CS..Hα-helixtrans-64.4-40.2179.700000112.7Q163 M200 N201 A202 S208Q163-A204 PolarHBondContact NE2-O 3.32Å; Q163-A204 PolarHBondContact OE1-O 2.71Å; M200-A204 WeakPolarHBondContact O-CB 3.42Å; M200-A204 PolarHBondContact O-N 2.81Å; N201-A204 PolarHBondContact O-N 2.87Å; A202-A204 VanDerWaalsContact C-N 3.35Å; A204-S208 WeakPolarHBondContact O-CB 3.5Å; A204-S208 PolarHBondContact O-N 2.87Å
205L83.4Confident83.7Confident0 Ų057.7 Ų57.70%030%0.303CS..Hα-helixtrans-65.8-43.9174.6-80.1176.9000112.4T174 L178 N201 A202 A207 S208 L218 L222T174-L205 HydrophobicContact CG2-CD2 4.45Å; L178-L205 HydrophobicContact CD1-CD1 3.84Å; L178-L205 HydrophobicContact CD1-CD2 3.59Å; L178-L205 HydrophobicContact CD1-CG 3.54Å; N201-L205 WeakPolarHBondContact O-CB 3.33Å; N201-L205 WeakPolarHBondContact O-CG 3.31Å; N201-L205 PolarHBondContact O-N 2.85Å; A202-L205 PolarHBondContact O-N 3.38Å; L205-A207 VanDerWaalsContact C-N 3.34Å; L205-S208 PolarHBondContact O-N 3.47Å; L205-L218 HydrophobicContact CB-CD1 3.82Å; L205-L222 HydrophobicContact CB-CD2 4.29Å; L205-L222 HydrophobicContact CD1-CD2 3.98Å; L205-L222 HydrophobicContact CD1-CG 4.5Å
206I84Confident83.5Confident104 Ų10460.5 Ų60.553%0.53332%0.32SS..Hα-helixtrans-68.5-35.1178.8-66.8165.1000111.2A202 I203 S208 L222A202-I206 WeakPolarHBondContact O-CB 3.33Å; A202-I206 WeakPolarHBondContact O-CD1 3.34Å; A202-I206 WeakPolarHBondContact O-CG1 3.42Å; A202-I206 PolarHBondContact O-N 3.18Å; I203-I206 PolarHBondContact O-N 3.13Å; I206-S208 VanDerWaalsContact C-N 3.33Å; I206-L222 HydrophobicContact CD1-CD1 4.24Å; I206-L222 HydrophobicContact CG1-CD1 4.18Å
207A82.6Confident83.4Confident75 Ų7560.4 Ų60.462%0.6232%0.32SS*.Hα-helixtrans-73.9-24.3177.200000113.1I203 L205 Q209I203-A207 WeakPolarHBondContact O-CB 3.12Å; I203-A207 PolarHBondContact O-N 3.3Å; L205-A207 VanDerWaalsContact C-N 3.34Å; A207-Q209 PolarHBondContact O-N 2.77Å
208S78.2Confident83.3Confident22 Ų2261.7 Ų61.715%0.15433%0.327CS..  trans-71126.1178165.60000111.2A204 L205 I206 T210A204-S208 WeakPolarHBondContact O-CB 3.5Å; A204-S208 PolarHBondContact O-N 2.87Å; L205-S208 PolarHBondContact O-N 3.47Å; I206-S208 VanDerWaalsContact C-N 3.33Å; S208-T210 PolarHBondContact O-N 3.36Å; S208-T210 WeakPolarHBondContact OG-CB 3.34Å; S208-T210 PolarHBondContact OG-N 2.92Å; S208-T210 PolarHBondContact OG-OG1 2.9Å
209Q74.6Confident83.3Confident146 Ų14662.3 Ų62.368%0.68233%0.329SS*.G310 helixtrans-69.8-19.5179.4-60.6-178.419.300112.3A207 W211 R212A207-Q209 PolarHBondContact O-N 2.77Å; Q209-W211 PolarHBondContact O-N 3.24Å; Q209-W211 VanDerWaalsContact O-N 3.15Å; Q209-R212 WeakPolarHBondContact O-CB 3.33Å; Q209-R212 PolarHBondContact O-N 2.95Å; Q209-R212 VanDerWaalsContact O-N 3.15Å
210T74.3Confident83.4Confident59 Ų5963.4 Ų63.436%0.36234%0.335SS..G310 helixtrans-57-30.2-176.6-45.30000113.4S171 S208S171-T210 VanDerWaalsContact CB-CG2 3.47Å; S208-T210 PolarHBondContact O-N 3.36Å; S208-T210 WeakPolarHBondContact OG-CB 3.34Å; S208-T210 PolarHBondContact OG-N 2.92Å; S208-T210 PolarHBondContact OG-OG1 2.9Å
211W76.6Confident83.5Confident17 Ų1761.8 Ų61.86%0.06433%0.329CS..G310 helixtrans-100.54.8-175.4-59.289.3000114S171 P175 Q209 D213 H214 D217 L218S171-W211 WeakPolarHBondContact O-CZ2 3.25Å; P175-W211 HydrophobicContact CG-CH2 4Å; P175-W211 HydrophobicContact CG-CZ2 3.98Å; Q209-W211 PolarHBondContact O-N 3.24Å; Q209-W211 VanDerWaalsContact O-N 3.15Å; W211-D213 VanDerWaalsContact C-N 3.28Å; W211-D213 PolarHBondContact O-N 3.35Å; W211-H214 CarbonylContact O-C 3.39Å; W211-H214 PolarHBondContact O-N 3.41Å; W211-H214 VanDerWaalsContact O-N 3.15Å; W211-D217 HydrophobicContact CE3-CB 3.86Å; W211-D217 HydrophobicContact CZ3-CB 3.52Å; W211-L218 HydrophobicContact CB-CB 4.03Å; W211-L218 HydrophobicContact CB-CD1 4.05Å; W211-L218 HydrophobicContact CB-CD2 4.47Å; W211-L218 HydrophobicContact CB-CG 4.4Å; W211-L218 HydrophobicContact CG-CD1 4.21Å
212R75.9Confident83.6Confident185 Ų18561.9 Ų61.970%0.69833%0.329SS*.THydrogen-bonded Turntrans-63.4-34.3-174.9-171.2171.6-77.6170.6-3.5112.4Q209Q209-R212 WeakPolarHBondContact O-CB 3.33Å; Q209-R212 PolarHBondContact O-N 2.95Å; Q209-R212 VanDerWaalsContact O-N 3.15Å
213D78.6Confident83.8Confident138 Ų13863 Ų6374%0.73833%0.333SS*.THydrogen-bonded Turntrans-86-12.5179-61.3-34000113.3W211 P215W211-D213 VanDerWaalsContact C-N 3.28Å; W211-D213 PolarHBondContact O-N 3.35Å; D213-P215 VanDerWaalsContact C-CD 3.45Å; D213-P215 WeakPolarHBondContact O-CD 3.13Å
214H84.4Confident84Confident95 Ų9562.3 Ų62.344%0.4433%0.334SS..  trans-123.766.8-177-63.4-62.4000111.8W211 V216 D217 L218W211-H214 CarbonylContact O-C 3.39Å; W211-H214 PolarHBondContact O-N 3.41Å; W211-H214 VanDerWaalsContact O-N 3.15Å; H214-V216 VanDerWaalsContact C-N 3.3Å; H214-V216 PolarHBondContact O-N 3.38Å; H214-D217 HydrophobicContact CB-CB 4.2Å; H214-D217 IonicContact CG-OD2 3.94Å; H214-D217 PolarHBondContact O-N 3.5Å; H214-L218 PolarHBondContact O-N 2.95Å; H214-L218 VanDerWaalsContact O-N 3.12Å
215P85.4Confident84.3Confident75 Ų7562.3 Ų62.349%0.48733%0.332SS..Hα-helixtrans-65.1-31-174.125.8-35.2000113.5D213 L219D213-P215 VanDerWaalsContact C-CD 3.45Å; D213-P215 WeakPolarHBondContact O-CD 3.13Å; P215-L219 WeakPolarHBondContact O-CB 3.27Å; P215-L219 WeakPolarHBondContact O-CD1 3.19Å; P215-L219 VanDerWaalsContact O-CG 3.24Å; P215-L219 WeakPolarHBondContact O-CG 3.43Å; P215-L219 PolarHBondContact O-N 3.2Å; P215-L219 VanDerWaalsContact O-N 3.1Å
216V87.6Confident84.7Confident63 Ų6362.5 Ų62.538%0.38233%0.334SS..Hα-helixtrans-66.7-44.6176.9177.30000110.3L105 H214 L218 L219 L220L105-V216 HydrophobicContact CD1-CG1 4.29Å; H214-V216 VanDerWaalsContact C-N 3.3Å; H214-V216 PolarHBondContact O-N 3.38Å; V216-L218 VanDerWaalsContact C-N 3.34Å; V216-L218 PolarHBondContact O-N 3.1Å; V216-L219 PolarHBondContact O-N 2.88Å; V216-L220 HydrophobicContact CG1-CD1 4.03Å; V216-L220 HydrophobicContact CG1-CG 4.36Å; V216-L220 WeakPolarHBondContact O-CB 3.34Å; V216-L220 WeakPolarHBondContact O-CG 3.45Å; V216-L220 PolarHBondContact O-N 3.23Å
217D86.3Confident85.1Confident58 Ų5861 Ų6131%0.3133%0.327SS..Hα-helixtrans-68.3-35.6-179.1-57.4-19.5000111.6W211 H214 S221W211-D217 HydrophobicContact CE3-CB 3.86Å; W211-D217 HydrophobicContact CZ3-CB 3.52Å; H214-D217 HydrophobicContact CB-CB 4.2Å; H214-D217 IonicContact CG-OD2 3.94Å; H214-D217 PolarHBondContact O-N 3.5Å; D217-S221 VanDerWaalsContact O-CB 3.31Å; D217-S221 WeakPolarHBondContact O-CB 3.33Å; D217-S221 PolarHBondContact O-N 2.88Å; D217-S221 PolarHBondContact O-OG 3.36Å
218L87.8Confident85.5Confident30 Ų3060 Ų6016%0.15731%0.313CS..Hα-helixtrans-57.8-51.7170.9178.660.3000111.2L205 W211 H214 V216 S221 L222L205-L218 HydrophobicContact CB-CD1 3.82Å; W211-L218 HydrophobicContact CB-CB 4.03Å; W211-L218 HydrophobicContact CB-CD1 4.05Å; W211-L218 HydrophobicContact CB-CD2 4.47Å; W211-L218 HydrophobicContact CB-CG 4.4Å; W211-L218 HydrophobicContact CG-CD1 4.21Å; H214-L218 PolarHBondContact O-N 2.95Å; H214-L218 VanDerWaalsContact O-N 3.12Å; V216-L218 VanDerWaalsContact C-N 3.34Å; V216-L218 PolarHBondContact O-N 3.1Å; L218-S221 WeakPolarHBondContact O-CB 3.32Å; L218-S221 PolarHBondContact O-N 3.4Å; L218-L222 HydrophobicContact CD1-CD1 4.34Å; L218-L222 HydrophobicContact CD1-CG 4.38Å; L218-L222 HydrophobicContact CG-CD1 4.18Å; L218-L222 VanDerWaalsContact O-CG 3.3Å; L218-L222 WeakPolarHBondContact O-CG 3.2Å; L218-L222 PolarHBondContact O-N 2.97Å
219L90Very high86.1Confident21 Ų2159 Ų5911%0.1131%0.305CS..Hα-helixtrans-68.3-36.9-176.3-72.5167.3000112.5L5 L105 L106 T109 P215 V216 L222 L223L5-L219 HydrophobicContact CD1-CD2 3.84Å; L105-L219 HydrophobicContact CD2-CB 3.21Å; L105-L219 HydrophobicContact CD2-CD1 3.29Å; L105-L219 HydrophobicContact CD2-CG 3.8Å; L105-L219 HydrophobicContact CG-CB 4.21Å; L106-L219 HydrophobicContact CD2-CD1 3.67Å; L106-L219 HydrophobicContact CD2-CD2 3.98Å; L106-L219 HydrophobicContact CG-CD1 4.04Å; T109-L219 HydrophobicContact CG2-CD2 3.89Å; T109-L219 PolarHBondContact OG1-O 2.66Å; P215-L219 WeakPolarHBondContact O-CB 3.27Å; P215-L219 WeakPolarHBondContact O-CD1 3.19Å; P215-L219 VanDerWaalsContact O-CG 3.24Å; P215-L219 WeakPolarHBondContact O-CG 3.43Å; P215-L219 PolarHBondContact O-N 3.2Å; P215-L219 VanDerWaalsContact O-N 3.1Å; V216-L219 PolarHBondContact O-N 2.88Å; L219-L222 PolarHBondContact O-N 2.99Å; L219-L223 WeakPolarHBondContact O-CB 3.22Å; L219-L223 PolarHBondContact O-N 2.92Å
220L90.5Very high87Confident78 Ų7852.6 Ų52.641%0.40828%0.276SS..Hα-helixtrans-62.2-44.6170.8-73.8174.3000110.9L105 V216 L222 L223 V224L105-L220 HydrophobicContact CD1-CD2 3.64Å; L105-L220 HydrophobicContact CD1-CG 3.91Å; V216-L220 HydrophobicContact CG1-CD1 4.03Å; V216-L220 HydrophobicContact CG1-CG 4.36Å; V216-L220 WeakPolarHBondContact O-CB 3.34Å; V216-L220 WeakPolarHBondContact O-CG 3.45Å; V216-L220 PolarHBondContact O-N 3.23Å; L220-L222 PolarHBondContact O-N 3.47Å; L220-L223 PolarHBondContact O-N 2.86Å; L220-V224 WeakPolarHBondContact O-CB 3.25Å; L220-V224 VanDerWaalsContact O-CG2 3.29Å; L220-V224 WeakPolarHBondContact O-CG2 3.4Å; L220-V224 PolarHBondContact O-N 2.87Å
221S87.8Confident87.9Confident15 Ų1554.3 Ų54.311%0.10528%0.282CS..Hα-helixtrans-61.2-45.4177.6-61.10000111.7P175 D217 L218 L223 V224 Q225P175-S221 WeakPolarHBondContact CG-OG 3.41Å; D217-S221 VanDerWaalsContact O-CB 3.31Å; D217-S221 WeakPolarHBondContact O-CB 3.33Å; D217-S221 PolarHBondContact O-N 2.88Å; D217-S221 PolarHBondContact O-OG 3.36Å; L218-S221 WeakPolarHBondContact O-CB 3.32Å; L218-S221 PolarHBondContact O-N 3.4Å; S221-L223 PolarHBondContact O-N 3.38Å; S221-V224 PolarHBondContact O-N 3.14Å; S221-Q225 WeakPolarHBondContact O-CB 3.47Å; S221-Q225 VanDerWaalsContact O-CG 3.29Å; S221-Q225 WeakPolarHBondContact O-CG 3.48Å; S221-Q225 PolarHBondContact O-N 2.98Å
222L90.7Very high88.6Confident5 Ų556 Ų563%0.02629%0.292CS..Hα-helixtrans-62.2-41.6176.1-70.9174.7000112.4T109 T113 A202 L205 I206 L218 L219 L220 S226T109-L222 HydrophobicContact CG2-CB 3.45Å; T109-L222 VanDerWaalsContact CG2-CB 3.45Å; T109-L222 HydrophobicContact CG2-CD1 3.98Å; T109-L222 HydrophobicContact CG2-CG 4.38Å; T113-L222 HydrophobicContact CG2-CB 4.3Å; A202-L222 VanDerWaalsContact CA-CD2 3.43Å; A202-L222 HydrophobicContact CB-CD2 3.49Å; A202-L222 VanDerWaalsContact CB-CD2 3.49Å; L205-L222 HydrophobicContact CB-CD2 4.29Å; L205-L222 HydrophobicContact CD1-CD2 3.98Å; L205-L222 HydrophobicContact CD1-CG 4.5Å; I206-L222 HydrophobicContact CD1-CD1 4.24Å; I206-L222 HydrophobicContact CG1-CD1 4.18Å; L218-L222 HydrophobicContact CD1-CD1 4.34Å; L218-L222 HydrophobicContact CD1-CG 4.38Å; L218-L222 HydrophobicContact CG-CD1 4.18Å; L218-L222 VanDerWaalsContact O-CG 3.3Å; L218-L222 WeakPolarHBondContact O-CG 3.2Å; L218-L222 PolarHBondContact O-N 2.97Å; L219-L222 PolarHBondContact O-N 2.99Å; L220-L222 PolarHBondContact O-N 3.47Å; L222-S226 WeakPolarHBondContact O-CB 3.2Å; L222-S226 PolarHBondContact O-N 3.38Å; L222-S226 PolarHBondContact O-OG 2.82Å
223L91.6Very high89.4Confident31 Ų3147.1 Ų47.116%0.16226%0.259CS..Hα-helixtrans-63.7-50.8177-172.1161.3000110.7L108 L219 L220 S221 Q225 S226 L227L108-L223 HydrophobicContact CB-CD1 3.77Å; L108-L223 HydrophobicContact CD1-CD1 4.1Å; L219-L223 WeakPolarHBondContact O-CB 3.22Å; L219-L223 PolarHBondContact O-N 2.92Å; L220-L223 PolarHBondContact O-N 2.86Å; S221-L223 PolarHBondContact O-N 3.38Å; L223-Q225 VanDerWaalsContact C-N 3.3Å; L223-Q225 PolarHBondContact O-N 2.87Å; L223-S226 PolarHBondContact O-N 2.67Å; L223-L227 WeakPolarHBondContact O-CB 3.31Å; L223-L227 PolarHBondContact O-N 2.92Å
224V91.4Very high90Very high83 Ų8340.7 Ų40.750%0.50323%0.225SC..Hα-helixtrans-58.1-44.1179.2169.40000110.6L220 S221 T228L220-V224 WeakPolarHBondContact O-CB 3.25Å; L220-V224 VanDerWaalsContact O-CG2 3.29Å; L220-V224 WeakPolarHBondContact O-CG2 3.4Å; L220-V224 PolarHBondContact O-N 2.87Å; S221-V224 PolarHBondContact O-N 3.14Å; V224-T228 VanDerWaalsContact O-CB 3.27Å; V224-T228 WeakPolarHBondContact O-CB 3.18Å; V224-T228 PolarHBondContact O-N 2.85Å; V224-T228 PolarHBondContact O-OG1 2.84Å
225Q89.6Confident90.4Very high8 Ų838.2 Ų38.24%0.03723%0.225CC..Hα-helixtrans-65.6-43.7177.5-74177.610.700112.6I182 T198 S221 L223 T228 G229I182-Q225 HydrophobicContact CD1-CB 4.2Å; I182-Q225 HydrophobicContact CD1-CG 4.28Å; T198-Q225 WeakPolarHBondContact CG2-O 3.4Å; S221-Q225 WeakPolarHBondContact O-CB 3.47Å; S221-Q225 VanDerWaalsContact O-CG 3.29Å; S221-Q225 WeakPolarHBondContact O-CG 3.48Å; S221-Q225 PolarHBondContact O-N 2.98Å; L223-Q225 VanDerWaalsContact C-N 3.3Å; L223-Q225 PolarHBondContact O-N 2.87Å; Q225-T228 PolarHBondContact O-N 3.24Å; Q225-G229 PolarHBondContact O-N 3.45Å
226S91.7Very high90.7Very high4 Ų435.5 Ų35.53%0.02821%0.206CC..Hα-helixtrans-64.2-43.4178.8-57.80000111.6T113 L222 L223 G229 L230T113-S226 WeakPolarHBondContact CG2-OG 3.4Å; L222-S226 WeakPolarHBondContact O-CB 3.2Å; L222-S226 PolarHBondContact O-N 3.38Å; L222-S226 PolarHBondContact O-OG 2.82Å; L223-S226 PolarHBondContact O-N 2.67Å; S226-G229 PolarHBondContact O-N 2.94Å; S226-L230 VanDerWaalsContact O-CB 3.31Å; S226-L230 WeakPolarHBondContact O-CB 3.44Å; S226-L230 WeakPolarHBondContact O-CG 3.5Å; S226-L230 PolarHBondContact O-N 2.96Å
227L92.2Very high90.8Very high73 Ų7333.9 Ų33.938%0.38219%0.194SC..Hα-helixtrans-63.5-43.5175.5-173.866.3000111.1L223 L230 L231L223-L227 WeakPolarHBondContact O-CB 3.31Å; L223-L227 PolarHBondContact O-N 2.92Å; L227-L230 PolarHBondContact O-N 3.35Å; L227-L231 HydrophobicContact CD1-CD1 3.97Å; L227-L231 HydrophobicContact CD1-CG 4.19Å; L227-L231 HydrophobicContact CG-CD1 3.9Å; L227-L231 HydrophobicContact CG-CG 4.41Å; L227-L231 WeakPolarHBondContact O-CB 3.27Å; L227-L231 WeakPolarHBondContact O-CG 3.25Å; L227-L231 PolarHBondContact O-N 3.42Å
228T90.6Very high91Very high54 Ų5437.9 Ų37.933%0.33121%0.205SC..Hα-helixtrans-61-49.8176.3-58.90000110.8V224 Q225 L230 L231 L232V224-T228 VanDerWaalsContact O-CB 3.27Å; V224-T228 WeakPolarHBondContact O-CB 3.18Å; V224-T228 PolarHBondContact O-N 2.85Å; V224-T228 PolarHBondContact O-OG1 2.84Å; Q225-T228 PolarHBondContact O-N 3.24Å; T228-L230 PolarHBondContact O-N 2.99Å; T228-L231 PolarHBondContact O-N 2.94Å; T228-L232 WeakPolarHBondContact O-CB 3.29Å; T228-L232 PolarHBondContact O-N 2.85Å
229G91.4Very high91.2Very high0 Ų041.3 Ų41.30%022%0.223CC..Hα-helixtrans-63-39.9178.800000113A194 Q225 S226 G233A194-G229 VanDerWaalsContact CB-O 3.31Å; A194-G229 WeakPolarHBondContact CB-O 3.24Å; Q225-G229 PolarHBondContact O-N 3.45Å; S226-G229 PolarHBondContact O-N 2.94Å; G229-G233 WeakPolarHBondContact O-CA 3.46Å; G229-G233 PolarHBondContact O-N 3.44Å
230L92.5Very high91.1Very high13 Ų1343.8 Ų43.87%0.06823%0.231CC..Hα-helixtrans-64.1-52.5175.6-82.3167.2000112.5L75 L112 P116 L195 S226 L227 T228 A234L75-L230 HydrophobicContact CD2-CD2 4.03Å; L112-L230 HydrophobicContact CB-CD1 4.39Å; L112-L230 HydrophobicContact CD2-CD1 3.7Å; P116-L230 HydrophobicContact CB-CD2 3.95Å; P116-L230 HydrophobicContact CG-CD1 3.93Å; P116-L230 HydrophobicContact CG-CD2 3.7Å; P116-L230 HydrophobicContact CG-CG 4.1Å; L195-L230 HydrophobicContact CD2-CD2 3.84Å; L195-L230 HydrophobicContact CD2-CG 4.05Å; S226-L230 VanDerWaalsContact O-CB 3.31Å; S226-L230 WeakPolarHBondContact O-CB 3.44Å; S226-L230 WeakPolarHBondContact O-CG 3.5Å; S226-L230 PolarHBondContact O-N 2.96Å; L227-L230 PolarHBondContact O-N 3.35Å; T228-L230 PolarHBondContact O-N 2.99Å; L230-A234 VanDerWaalsContact O-CB 3.3Å; L230-A234 WeakPolarHBondContact O-CB 3.22Å; L230-A234 PolarHBondContact O-N 3.3Å
231L92.7Very high91Very high94 Ų9442 Ų4249%0.49222%0.221SC..Hα-helixtrans-68.8-44.1-177.1-69.9177.7000111.8L76 L227 T228 A234 G235L76-L231 HydrophobicContact CD2-CD2 3.78Å; L227-L231 HydrophobicContact CD1-CD1 3.97Å; L227-L231 HydrophobicContact CD1-CG 4.19Å; L227-L231 HydrophobicContact CG-CD1 3.9Å; L227-L231 HydrophobicContact CG-CG 4.41Å; L227-L231 WeakPolarHBondContact O-CB 3.27Å; L227-L231 WeakPolarHBondContact O-CG 3.25Å; L227-L231 PolarHBondContact O-N 3.42Å; T228-L231 PolarHBondContact O-N 2.94Å; L231-A234 PolarHBondContact O-N 2.98Å; L231-G235 PolarHBondContact O-N 2.74Å
232L92.3Very high91.2Very high52 Ų5246.6 Ų46.627%0.27224%0.243SC..Hα-helixtrans-65.3-44.2177-170.573.2000110.8I182 I183 A186 T228 A234 G235 I236I182-L232 HydrophobicContact CG2-CD2 4.47Å; I183-L232 HydrophobicContact CB-CD2 4.22Å; I183-L232 HydrophobicContact CG1-CD2 3.76Å; A186-L232 HydrophobicContact CB-CD2 3.81Å; A186-L232 HydrophobicContact CB-CG 4.19Å; T228-L232 WeakPolarHBondContact O-CB 3.29Å; T228-L232 PolarHBondContact O-N 2.85Å; L232-A234 PolarHBondContact O-N 2.99Å; L232-G235 PolarHBondContact O-N 2.7Å; L232-I236 HydrophobicContact CD1-CD1 4.13Å; L232-I236 HydrophobicContact CD2-CD1 4.37Å; L232-I236 HydrophobicContact CG-CD1 3.84Å; L232-I236 HydrophobicContact CG-CG1 4.46Å; L232-I236 WeakPolarHBondContact O-CB 3.39Å; L232-I236 WeakPolarHBondContact O-CG1 3.26Å; L232-I236 PolarHBondContact O-N 2.92Å
233G91.8Very high91.2Very high0 Ų050.2 Ų50.20%026%0.263CS..Hα-helixtrans-58.6-47.6175.700000112.2G229 Q237G229-G233 WeakPolarHBondContact O-CA 3.46Å; G229-G233 PolarHBondContact O-N 3.44Å; G233-Q237 VanDerWaalsContact O-CB 3.22Å; G233-Q237 WeakPolarHBondContact O-CB 3.38Å; G233-Q237 PolarHBondContact O-N 3.33Å
234A91.9Very high91.2Very high2 Ų254.9 Ų54.92%0.01728%0.284CS..Hα-helixtrans-64.8-42.3176.200000112.3W72 L75 L76 L230 L231 L232 Q237 R238W72-A234 HydrophobicContact CB-CB 4.31Å; W72-A234 VanDerWaalsContact CB-O 3.27Å; W72-A234 WeakPolarHBondContact CB-O 3.15Å; L75-A234 HydrophobicContact CB-CB 4.19Å; L75-A234 HydrophobicContact CD1-CB 4.35Å; L76-A234 HydrophobicContact CD2-CB 4.15Å; L76-A234 HydrophobicContact CG-CB 4.07Å; L230-A234 VanDerWaalsContact O-CB 3.3Å; L230-A234 WeakPolarHBondContact O-CB 3.22Å; L230-A234 PolarHBondContact O-N 3.3Å; L231-A234 PolarHBondContact O-N 2.98Å; L232-A234 PolarHBondContact O-N 2.99Å; A234-Q237 PolarHBondContact O-N 3.04Å; A234-R238 WeakPolarHBondContact O-CB 3.39Å; A234-R238 PolarHBondContact O-N 2.96Å
235G92.9Very high91.1Very high43 Ų4354 Ų5444%0.44328%0.281SS..Hα-helixtrans-63.1-48.4178.600000112.8L231 L232 R238 L239L231-G235 PolarHBondContact O-N 2.74Å; L232-G235 PolarHBondContact O-N 2.7Å; G235-R238 PolarHBondContact O-N 3.49Å; G235-L239 PolarHBondContact O-N 3.21Å
236I91.1Very high91.4Very high19 Ų1958.2 Ų58.210%0.09730%0.304CS..Hα-helixtrans-66.2-40.6177.5-67.8174000110.7A186 W187 L232 R238 L239 R240A186-I236 HydrophobicContact CB-CD1 3.67Å; A186-I236 WeakPolarHBondContact O-CG2 3.48Å; W187-I236 HydrophobicContact CE3-CD1 4.44Å; L232-I236 HydrophobicContact CD1-CD1 4.13Å; L232-I236 HydrophobicContact CD2-CD1 4.37Å; L232-I236 HydrophobicContact CG-CD1 3.84Å; L232-I236 HydrophobicContact CG-CG1 4.46Å; L232-I236 WeakPolarHBondContact O-CB 3.39Å; L232-I236 WeakPolarHBondContact O-CG1 3.26Å; L232-I236 PolarHBondContact O-N 2.92Å; I236-R238 VanDerWaalsContact C-N 3.35Å; I236-R238 PolarHBondContact O-N 2.87Å; I236-L239 PolarHBondContact O-N 3.36Å; I236-R240 HydrophobicContact CG2-CG 4.37Å; I236-R240 WeakPolarHBondContact O-CG 3.13Å; I236-R240 PolarHBondContact O-N 2.95Å
237Q89.1Confident91.4Very high28 Ų2863.7 Ų63.713%0.13133%0.328CS..Hα-helixtrans-62-43.4176.1-174.865.46.700111.6D71 W72 W191 G233 A234 L239 R240 E241D71-Q237 HydrophobicContact CB-CG 3.97Å; D71-Q237 PolarHBondContact OD2-NE2 3.04Å; W72-Q237 HydrophobicContact CB-CB 4.26Å; W72-Q237 HydrophobicContact CB-CG 4.37Å; W191-Q237 HydrophobicContact CB-CB 4.41Å; G233-Q237 VanDerWaalsContact O-CB 3.22Å; G233-Q237 WeakPolarHBondContact O-CB 3.38Å; G233-Q237 PolarHBondContact O-N 3.33Å; A234-Q237 PolarHBondContact O-N 3.04Å; Q237-L239 VanDerWaalsContact C-N 3.32Å; Q237-L239 PolarHBondContact O-N 2.81Å; Q237-R240 PolarHBondContact O-N 3.46Å; Q237-E241 WeakPolarHBondContact O-CG 3.48Å; Q237-E241 PolarHBondContact O-N 3.32Å
238R91.9Very high91.4Very high143 Ų14367.7 Ų67.754%0.5434%0.343SS..Hα-helixtrans-59.5-42.5174-179.6178173.4180-2.4111.8W72 A234 G235 I236 L242W72-R238 HydrophobicContact CB-CB 4.13Å; W72-R238 HydrophobicContact CD2-CB 4.01Å; W72-R238 HydrophobicContact CD2-CG 4.17Å; W72-R238 HydrophobicContact CG-CB 3.76Å; W72-R238 HydrophobicContact CG-CG 4.33Å; W72-R238 HydrophobicContact CZ2-CG 4.45Å; A234-R238 WeakPolarHBondContact O-CB 3.39Å; A234-R238 PolarHBondContact O-N 2.96Å; G235-R238 PolarHBondContact O-N 3.49Å; I236-R238 VanDerWaalsContact C-N 3.35Å; I236-R238 PolarHBondContact O-N 2.87Å; R238-L242 VanDerWaalsContact O-CB 3.32Å; R238-L242 WeakPolarHBondContact O-CB 3.38Å; R238-L242 PolarHBondContact O-N 2.87Å
239L91.9Very high91.6Very high101 Ų10169.1 Ų69.153%0.52935%0.346SS..Hα-helixtrans-64.1-41.5178.1-177.660.1000111.7G235 I236 Q237 L242 N243G235-L239 PolarHBondContact O-N 3.21Å; I236-L239 PolarHBondContact O-N 3.36Å; Q237-L239 VanDerWaalsContact C-N 3.32Å; Q237-L239 PolarHBondContact O-N 2.81Å; L239-L242 PolarHBondContact O-N 2.82Å; L239-N243 WeakPolarHBondContact O-CB 3.44Å; L239-N243 PolarHBondContact O-N 3.12Å
240R87.8Confident91.6Very high74 Ų7473.5 Ų73.528%0.27937%0.369SS..Hα-helixtrans-64.7-49.1176.2-72.7169.8173.4-148.1-8.2112.5W187 H188 G190 I236 Q237 L242 N243 Q244W187-R240 PolarHBondContact O-NH2 3.18Å; H188-R240 PolarHBondContact O-NH2 3.11Å; G190-R240 VanDerWaalsContact N-CZ 3.3Å; G190-R240 VanDerWaalsContact N-NH1 3.11Å; I236-R240 HydrophobicContact CG2-CG 4.37Å; I236-R240 WeakPolarHBondContact O-CG 3.13Å; I236-R240 PolarHBondContact O-N 2.95Å; Q237-R240 PolarHBondContact O-N 3.46Å; R240-L242 VanDerWaalsContact C-N 3.26Å; R240-L242 PolarHBondContact O-N 3.46Å; R240-N243 PolarHBondContact O-N 3.01Å; R240-Q244 WeakPolarHBondContact O-CB 3.28Å; R240-Q244 WeakPolarHBondContact O-CG 3.22Å; R240-Q244 PolarHBondContact O-N 3.16Å
241E88.4Confident91.4Very high41 Ų4175.4 Ų75.419%0.19239%0.386CS..Hα-helixtrans-57.6-42.3176.5-75.3177.7-159.900110.9D71 W72 Q237 S245D71-E241 PolarHBondContact N-OE1 2.82Å; W72-E241 PolarHBondContact NE1-OE2 3.06Å; Q237-E241 WeakPolarHBondContact O-CG 3.48Å; Q237-E241 PolarHBondContact O-N 3.32Å; E241-S245 WeakPolarHBondContact O-CB 3.07Å; E241-S245 PolarHBondContact O-N 2.82Å
242L92Very high91.4Very high110 Ų11078.1 Ų78.158%0.57639%0.39SS*.Hα-helixtrans-65.9-45.1177.8-174.266.6000112R238 L239 R240 S245 L246R238-L242 VanDerWaalsContact O-CB 3.32Å; R238-L242 WeakPolarHBondContact O-CB 3.38Å; R238-L242 PolarHBondContact O-N 2.87Å; L239-L242 PolarHBondContact O-N 2.82Å; R240-L242 VanDerWaalsContact C-N 3.26Å; R240-L242 PolarHBondContact O-N 3.46Å; L242-S245 PolarHBondContact O-N 2.9Å; L242-L246 VanDerWaalsContact O-CB 3.31Å; L242-L246 WeakPolarHBondContact O-CB 3.41Å; L242-L246 PolarHBondContact O-N 3.46Å
243N91.2Very high91.3Very high82 Ų8280.2 Ų80.244%0.43940%0.401SS..Hα-helixtrans-65-44179.2-165.5-13.1000111.3L239 R240 S245 L246 Q247L239-N243 WeakPolarHBondContact O-CB 3.44Å; L239-N243 PolarHBondContact O-N 3.12Å; R240-N243 PolarHBondContact O-N 3.01Å; N243-S245 PolarHBondContact O-N 3.18Å; N243-L246 PolarHBondContact O-N 3.27Å; N243-Q247 WeakPolarHBondContact O-CB 3.35Å; N243-Q247 WeakPolarHBondContact O-CG 3.29Å; N243-Q247 PolarHBondContact O-N 2.98Å
244Q89.8Confident91Very high129 Ų12985.7 Ų85.760%0.60343%0.427SS*.Hα-helixtrans-61-43.5174.3-73.3176-8.300112.2R240 L246 Q247 K248R240-Q244 WeakPolarHBondContact O-CB 3.28Å; R240-Q244 WeakPolarHBondContact O-CG 3.22Å; R240-Q244 PolarHBondContact O-N 3.16Å; Q244-L246 VanDerWaalsContact C-N 3.33Å; Q244-L246 PolarHBondContact O-N 2.97Å; Q244-Q247 PolarHBondContact O-N 3.13Å; Q244-K248 WeakPolarHBondContact O-CB 3.35Å; Q244-K248 PolarHBondContact O-N 3.3Å
245S90.9Very high90.9Very high64 Ų6490.1 Ų90.145%0.44845%0.447SS..Hα-helixtrans-61.6-43.1175.3-171.20000111.3E241 L242 N243 K248 E249E241-S245 WeakPolarHBondContact O-CB 3.07Å; E241-S245 PolarHBondContact O-N 2.82Å; L242-S245 PolarHBondContact O-N 2.9Å; N243-S245 PolarHBondContact O-N 3.18Å; S245-K248 PolarHBondContact O-N 3.33Å; S245-E249 WeakPolarHBondContact O-CG 3.34Å; S245-E249 PolarHBondContact O-N 3.35Å
246L94.8Very high90.8Very high97 Ų9791.8 Ų91.851%0.50845%0.446SS..Hα-helixtrans-66.4-43.5179.3-176.5138.8000111.6L242 N243 Q244 K248 E249 L250L242-L246 VanDerWaalsContact O-CB 3.31Å; L242-L246 WeakPolarHBondContact O-CB 3.41Å; L242-L246 PolarHBondContact O-N 3.46Å; N243-L246 PolarHBondContact O-N 3.27Å; Q244-L246 VanDerWaalsContact C-N 3.33Å; Q244-L246 PolarHBondContact O-N 2.97Å; L246-K248 VanDerWaalsContact C-N 3.3Å; L246-K248 PolarHBondContact O-N 3.41Å; L246-E249 PolarHBondContact O-N 2.79Å; L246-L250 HydrophobicContact CD2-CD1 3.55Å; L246-L250 HydrophobicContact CD2-CG 4.21Å; L246-L250 HydrophobicContact CG-CD1 4.4Å; L246-L250 WeakPolarHBondContact O-CB 3.45Å; L246-L250 VanDerWaalsContact O-CG 3.32Å; L246-L250 WeakPolarHBondContact O-CG 3.26Å; L246-L250 PolarHBondContact O-N 3.49Å
247Q91.5Very high90.6Very high118 Ų11892.7 Ų92.755%0.55146%0.456SS*.Hα-helixtrans-59-42.2173.8-75.3-180-27.600111.8N243 Q244 L250 A251N243-Q247 WeakPolarHBondContact O-CB 3.35Å; N243-Q247 WeakPolarHBondContact O-CG 3.29Å; N243-Q247 PolarHBondContact O-N 2.98Å; Q244-Q247 PolarHBondContact O-N 3.13Å; Q247-L250 PolarHBondContact O-N 3.27Å; Q247-A251 WeakPolarHBondContact O-CB 3.34Å; Q247-A251 PolarHBondContact O-N 2.91Å
248K93.2Very high90.4Very high157 Ų15793.1 Ų93.168%0.68346%0.458SS*.Hα-helixtrans-64.7-43.8177.3-173.7177.8179-179.70112.2Q244 S245 L246 R252Q244-K248 WeakPolarHBondContact O-CB 3.35Å; Q244-K248 PolarHBondContact O-N 3.3Å; S245-K248 PolarHBondContact O-N 3.33Å; L246-K248 VanDerWaalsContact C-N 3.3Å; L246-K248 PolarHBondContact O-N 3.41Å; K248-R252 WeakPolarHBondContact O-CB 3.36Å; K248-R252 PolarHBondContact O-N 3.3Å
249E93.9Very high90.3Very high85 Ų8593.2 Ų93.240%0.39746%0.458SS..Hα-helixtrans-68.1-37.6177-68.6-55.5151.600112.1S245 L246 R252 N253S245-E249 WeakPolarHBondContact O-CG 3.34Å; S245-E249 PolarHBondContact O-N 3.35Å; L246-E249 PolarHBondContact O-N 2.79Å; E249-R252 PolarHBondContact O-N 3.45Å; E249-N253 WeakPolarHBondContact O-CB 3.41Å; E249-N253 PolarHBondContact O-N 3.44Å; E249-N253 PolarHBondContact O-ND2 3.37Å
250L91Very high90.2Very high91 Ų9194.3 Ų94.348%0.47646%0.464SS..Hα-helixtrans-62.1-48173.5-75.2177.5000111.8L246 Q247 R252 N253 Q254L246-L250 HydrophobicContact CD2-CD1 3.55Å; L246-L250 HydrophobicContact CD2-CG 4.21Å; L246-L250 HydrophobicContact CG-CD1 4.4Å; L246-L250 WeakPolarHBondContact O-CB 3.45Å; L246-L250 VanDerWaalsContact O-CG 3.32Å; L246-L250 WeakPolarHBondContact O-CG 3.26Å; L246-L250 PolarHBondContact O-N 3.49Å; Q247-L250 PolarHBondContact O-N 3.27Å; L250-R252 VanDerWaalsContact C-N 3.29Å; L250-R252 PolarHBondContact O-N 2.94Å; L250-N253 PolarHBondContact O-N 3.49Å; L250-Q254 WeakPolarHBondContact O-CG 3.17Å; L250-Q254 PolarHBondContact O-N 2.92Å
251A88.9Confident90Very high53 Ų5391.5 Ų91.544%0.43846%0.455SS..Hα-helixtrans-61.1-39.8176.900000111.6Q247 Q254 H255Q247-A251 WeakPolarHBondContact O-CB 3.34Å; Q247-A251 PolarHBondContact O-N 2.91Å; A251-Q254 PolarHBondContact O-N 3.5Å; A251-H255 WeakPolarHBondContact O-CB 3.31Å; A251-H255 PolarHBondContact O-N 3.47Å
252R93.2Very high89.8Confident151 Ų15193.3 Ų93.357%0.5746%0.463SS*.Hα-helixtrans-63.6-44.6175.2-173.9-177.3-178.4-175.50112K248 E249 L250 H255 L256K248-R252 WeakPolarHBondContact O-CB 3.36Å; K248-R252 PolarHBondContact O-N 3.3Å; E249-R252 PolarHBondContact O-N 3.45Å; L250-R252 VanDerWaalsContact C-N 3.29Å; L250-R252 PolarHBondContact O-N 2.94Å; R252-H255 PolarHBondContact O-N 3.38Å; R252-L256 HydrophobicContact CG-CD1 4.2Å; R252-L256 WeakPolarHBondContact O-CB 3.42Å; R252-L256 VanDerWaalsContact O-CG 3.29Å; R252-L256 WeakPolarHBondContact O-CG 3.49Å; R252-L256 PolarHBondContact O-N 2.82Å
253N90.2Very high89.6Confident96 Ų9692 Ų9251%0.51346%0.46SS..Hα-helixtrans-64.8-40.7178-78.7-24.2000112.1E249 L250 L256 A257E249-N253 WeakPolarHBondContact O-CB 3.41Å; E249-N253 PolarHBondContact O-N 3.44Å; E249-N253 PolarHBondContact O-ND2 3.37Å; L250-N253 PolarHBondContact O-N 3.49Å; N253-L256 PolarHBondContact O-N 3.25Å; N253-A257 WeakPolarHBondContact O-CB 3.49Å; N253-A257 PolarHBondContact O-N 3.27Å
254Q86.1Confident89.4Confident116 Ų11691.4 Ų91.454%0.54245%0.454SS..Hα-helixtrans-60.4-47.1173.8-73.8173-16.100111.2L250 A251 L256 A257 E258L250-Q254 WeakPolarHBondContact O-CG 3.17Å; L250-Q254 PolarHBondContact O-N 2.92Å; A251-Q254 PolarHBondContact O-N 3.5Å; Q254-L256 VanDerWaalsContact C-N 3.33Å; Q254-L256 PolarHBondContact O-N 3.38Å; Q254-A257 PolarHBondContact O-N 2.91Å; Q254-E258 PolarHBondContact O-N 3.42Å
255H88.5Confident89.1Confident94 Ų9486.1 Ų86.144%0.43543%0.43SS..Hα-helixtrans-62.2-38.5177.2-172.371.8000113A251 R252 R259A251-H255 WeakPolarHBondContact O-CB 3.31Å; A251-H255 PolarHBondContact O-N 3.47Å; R252-H255 PolarHBondContact O-N 3.38Å; H255-R259 PolarHBondContact NE2-NE 3.16Å; H255-R259 VanDerWaalsContact NE2-NE 3.15Å; H255-R259 PolarHBondContact O-N 2.8Å; H255-R259 VanDerWaalsContact O-N 3.07Å
256L91.6Very high88.9Confident79 Ų7985.9 Ų85.941%0.41443%0.428SS..Hα-helixtrans-68.1-41175.2-72.4172.9000111.9R252 N253 Q254 E258 R259 L260R252-L256 HydrophobicContact CG-CD1 4.2Å; R252-L256 WeakPolarHBondContact O-CB 3.42Å; R252-L256 VanDerWaalsContact O-CG 3.29Å; R252-L256 WeakPolarHBondContact O-CG 3.49Å; R252-L256 PolarHBondContact O-N 2.82Å; N253-L256 PolarHBondContact O-N 3.25Å; Q254-L256 VanDerWaalsContact C-N 3.33Å; Q254-L256 PolarHBondContact O-N 3.38Å; L256-E258 VanDerWaalsContact C-N 3.34Å; L256-R259 PolarHBondContact O-N 2.65Å; L256-L260 WeakPolarHBondContact O-CB 3.35Å; L256-L260 VanDerWaalsContact O-CG 3.3Å; L256-L260 WeakPolarHBondContact O-CG 3.34Å; L256-L260 PolarHBondContact O-N 2.96Å
257A86.6Confident88.6Confident38 Ų3885 Ų8531%0.31443%0.427SS..Hα-helixtrans-62.5-41.6176.500000111.7N253 Q254 L260 L261 A439N253-A257 WeakPolarHBondContact O-CB 3.49Å; N253-A257 PolarHBondContact O-N 3.27Å; Q254-A257 PolarHBondContact O-N 2.91Å; A257-L260 PolarHBondContact O-N 3.1Å; A257-L261 PolarHBondContact O-N 3.37Å; A257-A439 HydrophobicContact CB-CB 4.08Å
258E84.9Confident88.4Confident37 Ų3782.3 Ų82.317%0.17341%0.411CS..Hα-helixtrans-61.8-48.6174.6-177.6165.4-17100111.6Q254 L256 L260 L261 E262 R461Q254-E258 PolarHBondContact O-N 3.42Å; L256-E258 VanDerWaalsContact C-N 3.34Å; E258-L260 VanDerWaalsContact C-N 3.29Å; E258-L260 PolarHBondContact O-N 2.91Å; E258-L261 WeakPolarHBondContact O-CB 3.28Å; E258-L261 PolarHBondContact O-N 3.45Å; E258-L261 VanDerWaalsContact O-N 3.12Å; E258-E262 WeakPolarHBondContact O-CG 3.35Å; E258-E262 PolarHBondContact O-N 3Å; E258-R461 IonicContact OE1-NH1 2.83Å; E258-R461 PolarHBondContact OE1-NH1 2.83Å; E258-R461 IonicContact OE2-CZ 2.98Å; E258-R461 IonicContact OE2-NH1 2.87Å; E258-R461 PolarHBondContact OE2-NH1 2.82Å; E258-R461 IonicContact OE2-NH2 2.71Å
259R88.8Confident87.8Confident145 Ų14578.7 Ų78.755%0.54739%0.393SS..Hα-helixtrans-62.2-35.3176.4-77.9-168.6171.9-166.80.3113.7H255 L256 L261 E262 T263H255-R259 PolarHBondContact NE2-NE 3.16Å; H255-R259 VanDerWaalsContact NE2-NE 3.15Å; H255-R259 PolarHBondContact O-N 2.8Å; H255-R259 VanDerWaalsContact O-N 3.07Å; L256-R259 PolarHBondContact O-N 2.65Å; R259-L261 VanDerWaalsContact C-N 3.35Å; R259-E262 PolarHBondContact O-N 3.45Å; R259-T263 WeakPolarHBondContact O-CB 3.34Å; R259-T263 PolarHBondContact O-N 3.49Å; R259-T263 PolarHBondContact O-OG1 3.4Å
260L89.8Confident87.5Confident123 Ų12378.2 Ų78.264%0.64439%0.393SS*.Hα-helixtrans-64.5-42.7174.9-77.2171.5000110.8L256 A257 E258 T263 E264L256-L260 WeakPolarHBondContact O-CB 3.35Å; L256-L260 VanDerWaalsContact O-CG 3.3Å; L256-L260 WeakPolarHBondContact O-CG 3.34Å; L256-L260 PolarHBondContact O-N 2.96Å; A257-L260 PolarHBondContact O-N 3.1Å; E258-L260 VanDerWaalsContact C-N 3.29Å; E258-L260 PolarHBondContact O-N 2.91Å; L260-T263 PolarHBondContact O-N 3.3Å; L260-E264 VanDerWaalsContact O-CB 3.3Å; L260-E264 WeakPolarHBondContact O-CB 3.2Å; L260-E264 PolarHBondContact O-N 2.89Å
261L84.5Confident87.3Confident16 Ų1676.6 Ų76.68%0.08439%0.387CS..Hα-helixtrans-62.3-44.8175.8-178.361.2000111.7A257 E258 R259 E264 E265 R436 A439 L440A257-L261 PolarHBondContact O-N 3.37Å; E258-L261 WeakPolarHBondContact O-CB 3.28Å; E258-L261 PolarHBondContact O-N 3.45Å; E258-L261 VanDerWaalsContact O-N 3.12Å; R259-L261 VanDerWaalsContact C-N 3.35Å; L261-E264 PolarHBondContact O-N 3.33Å; L261-E265 PolarHBondContact O-N 2.92Å; L261-R436 HydrophobicContact CD1-CB 4.45Å; L261-R436 HydrophobicContact CD1-CG 3.74Å; L261-A439 HydrophobicContact CD2-CB 4.32Å; L261-L440 HydrophobicContact CD2-CD2 4.33Å; L261-L440 HydrophobicContact CD2-CG 4.31Å
262E85.2Confident87.2Confident78 Ų7874.1 Ų74.136%0.36437%0.367SS..Hα-helixtrans-61-45.1176.2-72177.6161.900111.9E258 R259 E265 S266 N372E258-E262 WeakPolarHBondContact O-CG 3.35Å; E258-E262 PolarHBondContact O-N 3Å; R259-E262 PolarHBondContact O-N 3.45Å; E262-E265 PolarHBondContact O-N 3.4Å; E262-S266 WeakPolarHBondContact O-CB 3.3Å; E262-S266 PolarHBondContact O-N 3.43Å; E262-N372 WeakPolarHBondContact CG-ND2 3.34Å; E262-N372 PolarHBondContact OE1-ND2 2.89Å
263T87.8Confident86.7Confident84 Ų8471.6 Ų71.652%0.51536%0.357SS..Hα-helixtrans-67-42179.4-53.30000110.6R259 L260 E265 S266 V267R259-T263 WeakPolarHBondContact O-CB 3.34Å; R259-T263 PolarHBondContact O-N 3.49Å; R259-T263 PolarHBondContact O-OG1 3.4Å; L260-T263 PolarHBondContact O-N 3.3Å; T263-E265 PolarHBondContact O-N 2.85Å; T263-S266 PolarHBondContact O-N 3.34Å; T263-V267 HydrophobicContact CG2-CG2 4.41Å; T263-V267 WeakPolarHBondContact O-CB 3.21Å; T263-V267 VanDerWaalsContact O-CG2 3.27Å; T263-V267 WeakPolarHBondContact O-CG2 3.41Å; T263-V267 PolarHBondContact O-N 3.21Å
264E85.7Confident86.6Confident68 Ų6873.7 Ų73.732%0.31836%0.364SS..Hα-helixtrans-59.5-46.4175.8-170.4-162.1179.400110.8L260 L261 V267 R268 R436L260-E264 VanDerWaalsContact O-CB 3.3Å; L260-E264 WeakPolarHBondContact O-CB 3.2Å; L260-E264 PolarHBondContact O-N 2.89Å; L261-E264 PolarHBondContact O-N 3.33Å; E264-V267 PolarHBondContact O-N 3.32Å; E264-R268 WeakPolarHBondContact O-CB 3.49Å; E264-R268 VanDerWaalsContact O-CG 3.28Å; E264-R268 WeakPolarHBondContact O-CG 3.29Å; E264-R268 PolarHBondContact O-N 3.32Å; E264-R268 IonicContact OE1-CZ 3.69Å; E264-R268 IonicContact OE1-NE 3.05Å; E264-R268 PolarHBondContact OE1-NE 3.4Å; E264-R268 IonicContact OE1-NH2 3.59Å; E264-R268 PolarHBondContact OE1-NH2 3.07Å; E264-R436 IonicContact OE1-CZ 2.76Å; E264-R436 IonicContact OE1-NH1 3.1Å; E264-R436 IonicContact OE1-NH2 2.75Å; E264-R436 PolarHBondContact OE1-NH2 3.45Å; E264-R436 IonicContact OE2-CZ 3.33Å; E264-R436 IonicContact OE2-NH1 2.73Å; E264-R436 PolarHBondContact OE2-NH1 2.97Å; E264-R436 IonicContact OE2-NH2 2.64Å; E264-R436 PolarHBondContact OE2-NH2 3.17Å; E264-R436 VanDerWaalsContact OE2-NH2 3.1Å
265E84Confident86.7Confident19 Ų1971.4 Ų71.49%0.08936%0.355CS..Hα-helixtrans-70-37.5179.6-169.860-15000111.5L261 E262 T263 R268 R269 V375 R379L261-E265 PolarHBondContact O-N 2.92Å; E262-E265 PolarHBondContact O-N 3.4Å; T263-E265 PolarHBondContact O-N 2.85Å; E265-R268 PolarHBondContact O-N 3.3Å; E265-R269 VanDerWaalsContact O-CB 3.25Å; E265-R269 WeakPolarHBondContact O-CB 3.31Å; E265-R269 PolarHBondContact O-N 3.05Å; E265-V375 HydrophobicContact CG-CG1 4.1Å; E265-R379 IonicContact OE1-NH2 3.81Å; E265-R379 IonicContact OE2-NE 3.88Å; E265-R379 IonicContact OE2-NH2 2.97Å; E265-R379 PolarHBondContact OE2-NH2 3.22Å; E265-R379 VanDerWaalsContact OE2-NH2 3.17Å
266S86.1Confident86.5Confident58 Ų5869.5 Ų69.541%0.40635%0.346SS..Hα-helixtrans-61.3-45.6173.1-170.40000111.8E262 T263 R268 R269 D270E262-S266 WeakPolarHBondContact O-CB 3.3Å; E262-S266 PolarHBondContact O-N 3.43Å; T263-S266 PolarHBondContact O-N 3.34Å; S266-R268 PolarHBondContact O-N 2.79Å; S266-R269 WeakPolarHBondContact O-CA 3.36Å; S266-R269 WeakPolarHBondContact O-CB 3.02Å; S266-R269 PolarHBondContact O-N 3.36Å; S266-R269 VanDerWaalsContact O-N 3.1Å; S266-D270 VanDerWaalsContact O-CG 3.31Å; S266-D270 PolarHBondContact O-N 2.98Å
267V89.2Confident86.3Confident80 Ų8069.7 Ų69.749%0.48535%0.347SS..Hα-helixtrans-64.2-43.2177.6170.60000110.5T263 E264 R269 D270 V271T263-V267 HydrophobicContact CG2-CG2 4.41Å; T263-V267 WeakPolarHBondContact O-CB 3.21Å; T263-V267 VanDerWaalsContact O-CG2 3.27Å; T263-V267 WeakPolarHBondContact O-CG2 3.41Å; T263-V267 PolarHBondContact O-N 3.21Å; E264-V267 PolarHBondContact O-N 3.32Å; V267-R269 VanDerWaalsContact C-N 3.26Å; V267-R269 PolarHBondContact O-N 2.89Å; V267-D270 PolarHBondContact O-N 3.07Å; V267-V271 HydrophobicContact CG1-CG2 4.21Å; V267-V271 WeakPolarHBondContact O-CB 3.36Å; V267-V271 VanDerWaalsContact O-CG2 3.28Å; V267-V271 WeakPolarHBondContact O-CG2 3.38Å; V267-V271 PolarHBondContact O-N 3.13Å
268R86.3Confident86.4Confident61 Ų6172.7 Ų72.723%0.2336%0.358CS..Hα-helixtrans-60-38.2172.6-74.3174.6179.5-157.8-1.2111.7E264 E265 S266 D270 A272E264-R268 WeakPolarHBondContact O-CB 3.49Å; E264-R268 VanDerWaalsContact O-CG 3.28Å; E264-R268 WeakPolarHBondContact O-CG 3.29Å; E264-R268 PolarHBondContact O-N 3.32Å; E264-R268 IonicContact OE1-CZ 3.69Å; E264-R268 IonicContact OE1-NE 3.05Å; E264-R268 PolarHBondContact OE1-NE 3.4Å; E264-R268 IonicContact OE1-NH2 3.59Å; E264-R268 PolarHBondContact OE1-NH2 3.07Å; E265-R268 PolarHBondContact O-N 3.3Å; S266-R268 PolarHBondContact O-N 2.79Å; R268-D270 VanDerWaalsContact C-N 3.34Å; R268-A272 WeakPolarHBondContact O-CB 3.29Å; R268-A272 PolarHBondContact O-N 3.31Å
269R82Confident86.6Confident81 Ų8173 Ų7331%0.30636%0.36SS..Hα-helixtrans-60.2-44.8177.4-161.1177-175.585.2-0.1111.4E265 S266 V267 R273 R329 D334E265-R269 VanDerWaalsContact O-CB 3.25Å; E265-R269 WeakPolarHBondContact O-CB 3.31Å; E265-R269 PolarHBondContact O-N 3.05Å; S266-R269 WeakPolarHBondContact O-CA 3.36Å; S266-R269 WeakPolarHBondContact O-CB 3.02Å; S266-R269 PolarHBondContact O-N 3.36Å; S266-R269 VanDerWaalsContact O-N 3.1Å; V267-R269 VanDerWaalsContact C-N 3.26Å; V267-R269 PolarHBondContact O-N 2.89Å; R269-R273 PolarHBondContact O-N 3.22Å; R269-R329 VanDerWaalsContact CZ-CZ 3.43Å; R269-R329 VanDerWaalsContact NH1-NH2 3.18Å; R269-R329 PolarHBondContact O-NH1 2.92Å; R269-R329 VanDerWaalsContact O-NH1 3.16Å; R269-D334 IonicContact CZ-OD1 3.73Å; R269-D334 IonicContact NH1-OD1 3.97Å; R269-D334 PolarHBondContact NH1-OD1 2.86Å; R269-D334 IonicContact NH2-OD1 3.97Å; R269-D334 PolarHBondContact NH2-OD1 3.4Å
270D86.6Confident86.5Confident74 Ų7466.8 Ų66.840%0.39634%0.342SS..Hα-helixtrans-76.3-46.6-177-64.8-25.8000111.7S266 V267 R268 A272 R273 E274S266-D270 VanDerWaalsContact O-CG 3.31Å; S266-D270 PolarHBondContact O-N 2.98Å; V267-D270 PolarHBondContact O-N 3.07Å; R268-D270 VanDerWaalsContact C-N 3.34Å; D270-A272 VanDerWaalsContact C-N 3.31Å; D270-A272 PolarHBondContact O-N 2.99Å; D270-R273 WeakPolarHBondContact O-CB 3.49Å; D270-R273 PolarHBondContact O-N 3.48Å; D270-R273 IonicContact OD1-CZ 3.01Å; D270-R273 IonicContact OD1-NH1 2.75Å; D270-R273 PolarHBondContact OD1-NH1 3.47Å; D270-R273 IonicContact OD1-NH2 3.8Å; D270-E274 PolarHBondContact O-N 2.97Å
271V88.2Confident86.4Confident57 Ų5767.5 Ų67.535%0.34534%0.342SS..Hα-helixtrans-58.7-42.9174.9171.40000111.2V267 R273 L275V267-V271 HydrophobicContact CG1-CG2 4.21Å; V267-V271 WeakPolarHBondContact O-CB 3.36Å; V267-V271 VanDerWaalsContact O-CG2 3.28Å; V267-V271 WeakPolarHBondContact O-CG2 3.38Å; V267-V271 PolarHBondContact O-N 3.13Å; V271-R273 PolarHBondContact O-N 3.26Å; V271-L275 HydrophobicContact CG1-CD1 3.73Å; V271-L275 HydrophobicContact CG1-CG 4.22Å; V271-L275 VanDerWaalsContact O-CB 3.29Å; V271-L275 WeakPolarHBondContact O-CB 3.43Å; V271-L275 VanDerWaalsContact O-CG 3.28Å; V271-L275 WeakPolarHBondContact O-CG 3.39Å; V271-L275 PolarHBondContact O-N 2.99Å
272A85Confident86.8Confident1 Ų170 Ų701%0.00836%0.358CS..Hα-helixtrans-68.8-23178.100000113.5R268 D270 H276 L325 L328 R329 R331R268-A272 WeakPolarHBondContact O-CB 3.29Å; R268-A272 PolarHBondContact O-N 3.31Å; D270-A272 VanDerWaalsContact C-N 3.31Å; D270-A272 PolarHBondContact O-N 2.99Å; A272-H276 WeakPolarHBondContact O-CB 3Å; A272-H276 PolarHBondContact O-N 3.37Å; A272-L325 HydrophobicContact CB-CD2 3.97Å; A272-L325 WeakPolarHBondContact O-CD2 3.21Å; A272-L328 HydrophobicContact CB-CB 4.43Å; A272-R329 HydrophobicContact CB-CB 3.97Å; A272-R331 PolarHBondContact O-NH2 3.42Å
273R84.3Confident87.1Confident99 Ų9966.7 Ų66.737%0.37434%0.343SS..Hα-helixtrans-79.1-51.9175.1-167.7-175.5-60.9104.5-3.2110R269 D270 V271 L275 H276 D277R269-R273 PolarHBondContact O-N 3.22Å; D270-R273 WeakPolarHBondContact O-CB 3.49Å; D270-R273 PolarHBondContact O-N 3.48Å; D270-R273 IonicContact OD1-CZ 3.01Å; D270-R273 IonicContact OD1-NH1 2.75Å; D270-R273 PolarHBondContact OD1-NH1 3.47Å; D270-R273 IonicContact OD1-NH2 3.8Å; V271-R273 PolarHBondContact O-N 3.26Å; R273-L275 PolarHBondContact O-N 3.35Å; R273-H276 WeakPolarHBondContact O-CB 3.35Å; R273-H276 PolarHBondContact O-N 2.92Å; R273-H276 VanDerWaalsContact O-N 3.08Å; R273-D277 PolarHBondContact O-N 3.48Å
274E88.2Confident87.2Confident140 Ų14066.7 Ų66.765%0.65434%0.343SS*.Hα-helixtrans-57.8-48.5179.1-174.1177.3-175.900111.9D270 H276 D277 D278D270-E274 PolarHBondContact O-N 2.97Å; E274-H276 VanDerWaalsContact C-N 3.27Å; E274-H276 PolarHBondContact O-N 3.05Å; E274-D277 PolarHBondContact O-N 3.41Å; E274-D278 WeakPolarHBondContact O-CB 3.35Å; E274-D278 PolarHBondContact O-N 2.96Å
275L87.3Confident87.5Confident68 Ų6866.1 Ų66.136%0.35635%0.35SS..Hα-helixtrans-61.9-34.4176.7-74176.3000112.7V271 R273 I279 L325 L328V271-L275 HydrophobicContact CG1-CD1 3.73Å; V271-L275 HydrophobicContact CG1-CG 4.22Å; V271-L275 VanDerWaalsContact O-CB 3.29Å; V271-L275 WeakPolarHBondContact O-CB 3.43Å; V271-L275 VanDerWaalsContact O-CG 3.28Å; V271-L275 WeakPolarHBondContact O-CG 3.39Å; V271-L275 PolarHBondContact O-N 2.99Å; R273-L275 PolarHBondContact O-N 3.35Å; L275-I279 HydrophobicContact CB-CD1 4.34Å; L275-I279 HydrophobicContact CD2-CD1 4.1Å; L275-I279 WeakPolarHBondContact O-CB 3.38Å; L275-I279 WeakPolarHBondContact O-CG1 3.28Å; L275-I279 PolarHBondContact O-N 2.92Å; L275-L325 HydrophobicContact CB-CD2 3.86Å; L275-L325 HydrophobicContact CD1-CD2 4.28Å; L275-L328 HydrophobicContact CD1-CD1 4.3Å
276H84.7Confident88Confident54 Ų5468.7 Ų68.725%0.2536%0.363CS..Hα-helixtrans-70.6-43.2178.1-178.971.6000112.1A272 R273 E274 G280 L325 R331A272-H276 WeakPolarHBondContact O-CB 3Å; A272-H276 PolarHBondContact O-N 3.37Å; R273-H276 WeakPolarHBondContact O-CB 3.35Å; R273-H276 PolarHBondContact O-N 2.92Å; R273-H276 VanDerWaalsContact O-N 3.08Å; E274-H276 VanDerWaalsContact C-N 3.27Å; E274-H276 PolarHBondContact O-N 3.05Å; H276-G280 VanDerWaalsContact O-CA 3.3Å; H276-G280 WeakPolarHBondContact O-CA 3.24Å; H276-G280 PolarHBondContact O-N 3.35Å; H276-L325 HydrophobicContact CB-CD1 3.9Å; H276-R331 PolarHBondContact CD2-NH1 3.39Å; H276-R331 PolarHBondContact CD2-NH2 3.35Å; H276-R331 VanDerWaalsContact CD2-NH2 3.34Å; H276-R331 PolarHBondContact CE1-NH1 3.01Å; H276-R331 PolarHBondContact ND1-NH1 3.01Å; H276-R331 PolarHBondContact NE2-NH1 3.23Å; H276-R331 VanDerWaalsContact NE2-NH1 3.19Å
277D87.1Confident88.2Confident82 Ų8270.7 Ų70.744%0.43936%0.362SS..Hα-helixtrans-68.2-47.2-178.2-65.1-18.5000110R273 E274 Q281R273-D277 PolarHBondContact O-N 3.48Å; E274-D277 PolarHBondContact O-N 3.41Å; D277-Q281 VanDerWaalsContact O-CB 3.31Å; D277-Q281 WeakPolarHBondContact O-CB 3.06Å; D277-Q281 WeakPolarHBondContact O-CG 3.38Å; D277-Q281 PolarHBondContact O-N 2.88Å; D277-Q281 VanDerWaalsContact O-N 3.08Å
278D88.4Confident88.4Confident101 Ų10170.6 Ų70.654%0.5436%0.362SS..Hα-helixtrans-70.4-47.4-177.6-167.733.9000112.5E274 T282E274-D278 WeakPolarHBondContact O-CB 3.35Å; E274-D278 PolarHBondContact O-N 2.96Å; D278-T282 VanDerWaalsContact O-CB 3.31Å; D278-T282 WeakPolarHBondContact O-CB 3.26Å; D278-T282 PolarHBondContact O-N 2.86Å; D278-T282 PolarHBondContact O-OG1 2.87Å
279I88.7Confident88.7Confident43 Ų4373.1 Ų73.122%0.22138%0.376CS..Hα-helixtrans-72-40179.6-61.4172.8000110.8L275 Q281 T282 I283 V321L275-I279 HydrophobicContact CB-CD1 4.34Å; L275-I279 HydrophobicContact CD2-CD1 4.1Å; L275-I279 WeakPolarHBondContact O-CB 3.38Å; L275-I279 WeakPolarHBondContact O-CG1 3.28Å; L275-I279 PolarHBondContact O-N 2.92Å; I279-Q281 PolarHBondContact O-N 3.34Å; I279-T282 PolarHBondContact O-N 3.36Å; I279-I283 HydrophobicContact CG2-CD1 3.47Å; I279-I283 VanDerWaalsContact CG2-CD1 3.47Å; I279-I283 HydrophobicContact CG2-CG1 3.97Å; I279-I283 WeakPolarHBondContact O-CB 3.46Å; I279-I283 VanDerWaalsContact O-CG1 3.28Å; I279-I283 WeakPolarHBondContact O-CG1 3.48Å; I279-I283 PolarHBondContact O-N 3.36Å; I279-V321 HydrophobicContact CB-CG1 4.36Å; I279-V321 HydrophobicContact CD1-CB 4.44Å; I279-V321 HydrophobicContact CD1-CG1 3.61Å; I279-V321 HydrophobicContact CD1-CG2 3.98Å; I279-V321 HydrophobicContact CG2-CB 4.38Å; I279-V321 HydrophobicContact CG2-CG1 4.07Å; I279-V321 HydrophobicContact CG2-CG2 4.16Å
280G86.6Confident89.2Confident16 Ų1669.6 Ų69.617%0.16536%0.364CS..Hα-helixtrans-59.1-46.9177.900000111.7H276 T284H276-G280 VanDerWaalsContact O-CA 3.3Å; H276-G280 WeakPolarHBondContact O-CA 3.24Å; H276-G280 PolarHBondContact O-N 3.35Å; G280-T284 WeakPolarHBondContact O-CB 3.36Å; G280-T284 PolarHBondContact O-N 3.47Å; G280-T284 PolarHBondContact O-OG1 3.45Å
281Q89.5Confident89.4Confident138 Ų13867.1 Ų67.165%0.64536%0.356SS*.Hα-helixtrans-64.1-45.8175.4-72.3176.718.800112.1D277 I279 I283 T284 A285D277-Q281 VanDerWaalsContact O-CB 3.31Å; D277-Q281 WeakPolarHBondContact O-CB 3.06Å; D277-Q281 WeakPolarHBondContact O-CG 3.38Å; D277-Q281 PolarHBondContact O-N 2.88Å; D277-Q281 VanDerWaalsContact O-N 3.08Å; I279-Q281 PolarHBondContact O-N 3.34Å; Q281-I283 PolarHBondContact O-N 2.9Å; Q281-T284 WeakPolarHBondContact O-CB 3.34Å; Q281-T284 PolarHBondContact O-N 2.96Å; Q281-A285 PolarHBondContact O-N 2.96Å
282T91.1Very high89.6Confident68 Ų6867.7 Ų67.742%0.41736%0.357SS..Hα-helixtrans-61.9-45.6-180-62.10000111.9D278 I279 T284 A285 I286D278-T282 VanDerWaalsContact O-CB 3.31Å; D278-T282 WeakPolarHBondContact O-CB 3.26Å; D278-T282 PolarHBondContact O-N 2.86Å; D278-T282 PolarHBondContact O-OG1 2.87Å; I279-T282 PolarHBondContact O-N 3.36Å; T282-T284 VanDerWaalsContact C-N 3.31Å; T282-T284 PolarHBondContact O-N 3.29Å; T282-A285 PolarHBondContact O-N 3.38Å; T282-I286 HydrophobicContact CG2-CD1 4.01Å; T282-I286 VanDerWaalsContact O-CG1 3.3Å; T282-I286 WeakPolarHBondContact O-CG1 3.45Å; T282-I286 PolarHBondContact O-N 2.92Å
283I91.6Very high89.8Confident9 Ų971 Ų715%0.04638%0.376CS..Hα-helixtrans-63.5-40.8176.8-71.2177.6000110.8I279 Q281 A285 I286 R287 V317 Y318I279-I283 HydrophobicContact CG2-CD1 3.47Å; I279-I283 VanDerWaalsContact CG2-CD1 3.47Å; I279-I283 HydrophobicContact CG2-CG1 3.97Å; I279-I283 WeakPolarHBondContact O-CB 3.46Å; I279-I283 VanDerWaalsContact O-CG1 3.28Å; I279-I283 WeakPolarHBondContact O-CG1 3.48Å; I279-I283 PolarHBondContact O-N 3.36Å; Q281-I283 PolarHBondContact O-N 2.9Å; I283-A285 VanDerWaalsContact C-N 3.34Å; I283-A285 PolarHBondContact O-N 3.46Å; I283-I286 PolarHBondContact O-N 3.06Å; I283-R287 HydrophobicContact CG2-CG 4.45Å; I283-R287 WeakPolarHBondContact O-CG 3.28Å; I283-R287 PolarHBondContact O-N 3.28Å; I283-V317 HydrophobicContact CD1-CB 4.44Å; I283-V317 HydrophobicContact CD1-CG1 4.07Å; I283-Y318 VanDerWaalsContact CD1-CA 3.5Å; I283-Y318 HydrophobicContact CD1-CD2 4.03Å; I283-Y318 HydrophobicContact CD1-CG 4.37Å; I283-Y318 HydrophobicContact CG2-CD2 4.45Å
284T89.9Confident90.1Very high84 Ų8467.9 Ų67.952%0.51537%0.366SS..Hα-helixtrans-60.9-45.5176.8-59.10000110.4G280 Q281 T282 R287 T288G280-T284 WeakPolarHBondContact O-CB 3.36Å; G280-T284 PolarHBondContact O-N 3.47Å; G280-T284 PolarHBondContact O-OG1 3.45Å; Q281-T284 WeakPolarHBondContact O-CB 3.34Å; Q281-T284 PolarHBondContact O-N 2.96Å; T282-T284 VanDerWaalsContact C-N 3.31Å; T282-T284 PolarHBondContact O-N 3.29Å; T284-R287 PolarHBondContact O-N 3.08Å; T284-T288 PolarHBondContact O-N 2.86Å; T284-T288 PolarHBondContact O-OG1 3.4Å
285A93.1Very high90.1Very high55 Ų5571.4 Ų71.446%0.45537%0.373SS..Hα-helixtrans-61.7-44.3175.900000112.7Q281 T282 I283 R287 T288 Q289Q281-A285 PolarHBondContact O-N 2.96Å; T282-A285 PolarHBondContact O-N 3.38Å; I283-A285 VanDerWaalsContact C-N 3.34Å; I283-A285 PolarHBondContact O-N 3.46Å; A285-R287 VanDerWaalsContact C-N 3.34Å; A285-R287 PolarHBondContact O-N 2.84Å; A285-T288 PolarHBondContact O-N 3.29Å; A285-Q289 WeakPolarHBondContact O-CG 3.47Å; A285-Q289 PolarHBondContact O-N 3.04Å
286I93.4Very high90.3Very high73 Ų7375.2 Ų75.237%0.37439%0.393SS..Hα-helixtrans-58-47.1175.4-70.1166.6000110.4T282 I283 Q289 A290 I310T282-I286 HydrophobicContact CG2-CD1 4.01Å; T282-I286 VanDerWaalsContact O-CG1 3.3Å; T282-I286 WeakPolarHBondContact O-CG1 3.45Å; T282-I286 PolarHBondContact O-N 2.92Å; I283-I286 PolarHBondContact O-N 3.06Å; I286-Q289 PolarHBondContact O-N 3.2Å; I286-A290 WeakPolarHBondContact O-CB 3.23Å; I286-A290 PolarHBondContact O-N 3.19Å; I286-I310 HydrophobicContact CG2-CG2 3.62Å
287R91.8Very high90.5Very high100 Ų10074 Ų7438%0.37739%0.393SS..Hα-helixtrans-63.9-42.1178.4-72.4-178.966.6-154.5-1.8112.2I283 T284 A285 A290 G291 E311 S314I283-R287 HydrophobicContact CG2-CG 4.45Å; I283-R287 WeakPolarHBondContact O-CG 3.28Å; I283-R287 PolarHBondContact O-N 3.28Å; T284-R287 PolarHBondContact O-N 3.08Å; A285-R287 VanDerWaalsContact C-N 3.34Å; A285-R287 PolarHBondContact O-N 2.84Å; R287-A290 PolarHBondContact O-N 3.35Å; R287-G291 PolarHBondContact O-N 3.09Å; R287-E311 HydrophobicContact CG-CG 4.47Å; R287-E311 IonicContact CZ-OE1 3.72Å; R287-E311 IonicContact NE-OE1 3.49Å; R287-E311 PolarHBondContact NE-OE1 3.01Å; R287-E311 IonicContact NH2-OE1 3.61Å; R287-E311 PolarHBondContact NH2-OE1 3.17Å; R287-S314 WeakPolarHBondContact CG-OG 3.5Å
288T92.7Very high90.2Very high78 Ų7873.2 Ų73.248%0.47940%0.398SS..Hα-helixtrans-62.3-46.7176.2-58.20000111.2T284 A285 G291 I292T284-T288 PolarHBondContact O-N 2.86Å; T284-T288 PolarHBondContact O-OG1 3.4Å; A285-T288 PolarHBondContact O-N 3.29Å; T288-G291 PolarHBondContact O-N 3.26Å; T288-I292 HydrophobicContact CG2-CD1 3.97Å; T288-I292 VanDerWaalsContact O-CG1 3.32Å; T288-I292 WeakPolarHBondContact O-CG1 3.47Å; T288-I292 PolarHBondContact O-N 2.9Å
289Q93Very high90.2Very high115 Ų11576.6 Ų76.654%0.53742%0.416SS..Hα-helixtrans-64.9-42.5178-70.1-60.5-25.900112.1A285 I286 G291 I292 V293A285-Q289 WeakPolarHBondContact O-CG 3.47Å; A285-Q289 PolarHBondContact O-N 3.04Å; I286-Q289 PolarHBondContact O-N 3.2Å; Q289-G291 VanDerWaalsContact C-N 3.3Å; Q289-G291 PolarHBondContact O-N 3.05Å; Q289-I292 PolarHBondContact O-N 3.15Å; Q289-V293 WeakPolarHBondContact O-CG2 3.42Å; Q289-V293 PolarHBondContact O-N 2.83Å
290A92Very high90.3Very high6 Ų678.2 Ų78.25%0.0543%0.425CS..Hα-helixtrans-58.4-43.9173.400000111.3I286 R287 V293 Q294 I310I286-A290 WeakPolarHBondContact O-CB 3.23Å; I286-A290 PolarHBondContact O-N 3.19Å; R287-A290 PolarHBondContact O-N 3.35Å; A290-V293 PolarHBondContact O-N 3.38Å; A290-Q294 VanDerWaalsContact O-CG 3.24Å; A290-Q294 WeakPolarHBondContact O-CG 3.41Å; A290-Q294 PolarHBondContact O-N 3.39Å; A290-I310 HydrophobicContact CB-CB 4.12Å; A290-I310 HydrophobicContact CB-CG2 3.76Å
291G91Very high90.3Very high23 Ų2381.2 Ų81.224%0.23745%0.448CS..Hα-helixtrans-63.8-38.6175.400000113.7R287 T288 Q289 R295R287-G291 PolarHBondContact O-N 3.09Å; T288-G291 PolarHBondContact O-N 3.26Å; Q289-G291 VanDerWaalsContact C-N 3.3Å; Q289-G291 PolarHBondContact O-N 3.05Å; G291-R295 VanDerWaalsContact O-CG 3.32Å; G291-R295 WeakPolarHBondContact O-CG 3.16Å; G291-R295 PolarHBondContact O-N 3.27Å; G291-R295 VanDerWaalsContact O-N 3.13Å
292I91.6Very high90.2Very high69 Ų6977.8 Ų77.835%0.35444%0.439SS..Hα-helixtrans-65.6-46.9175.7-69.7164.9000110.6T288 Q289 Q294 R295 L296T288-I292 HydrophobicContact CG2-CD1 3.97Å; T288-I292 VanDerWaalsContact O-CG1 3.32Å; T288-I292 WeakPolarHBondContact O-CG1 3.47Å; T288-I292 PolarHBondContact O-N 2.9Å; Q289-I292 PolarHBondContact O-N 3.15Å; I292-Q294 VanDerWaalsContact C-N 3.32Å; I292-Q294 PolarHBondContact O-N 3.42Å; I292-R295 PolarHBondContact O-N 2.92Å; I292-L296 HydrophobicContact CG2-CD1 3.7Å; I292-L296 HydrophobicContact CG2-CG 4.16Å; I292-L296 PolarHBondContact O-N 3.03Å
293V90.9Very high90.2Very high69 Ų6976.3 Ų76.342%0.41843%0.43SS..Hα-helixtrans-60.1-42.7178.3169.70000111.1Q289 A290 R295 L296 A297 V303Q289-V293 WeakPolarHBondContact O-CG2 3.42Å; Q289-V293 PolarHBondContact O-N 2.83Å; A290-V293 PolarHBondContact O-N 3.38Å; V293-R295 VanDerWaalsContact C-N 3.26Å; V293-R295 PolarHBondContact O-N 3.15Å; V293-L296 PolarHBondContact O-N 3.41Å; V293-A297 PolarHBondContact O-N 2.88Å; V293-A297 VanDerWaalsContact O-N 3.16Å; V293-V303 HydrophobicContact CG1-CG1 3.43Å; V293-V303 VanDerWaalsContact CG1-CG1 3.43Å
294Q89.6Confident90Very high35 Ų3580.9 Ų80.916%0.16445%0.45CS..Hα-helixtrans-60.5-34.7174.1-71.4176.243.700112.7A290 I292 G307A290-Q294 VanDerWaalsContact O-CG 3.24Å; A290-Q294 WeakPolarHBondContact O-CG 3.41Å; A290-Q294 PolarHBondContact O-N 3.39Å; I292-Q294 VanDerWaalsContact C-N 3.32Å; I292-Q294 PolarHBondContact O-N 3.42Å; Q294-G307 PolarHBondContact NE2-O 2.7Å; Q294-G307 VanDerWaalsContact NE2-O 3.12Å
295R89.1Confident90Very high213 Ų21383.5 Ų83.580%0.80446%0.456SS*.Hα-helixtrans-78.4-40179.3-73.9175.7178.6-167.10.3113.1G291 I292 V293G291-R295 VanDerWaalsContact O-CG 3.32Å; G291-R295 WeakPolarHBondContact O-CG 3.16Å; G291-R295 PolarHBondContact O-N 3.27Å; G291-R295 VanDerWaalsContact O-N 3.13Å; I292-R295 PolarHBondContact O-N 2.92Å; V293-R295 VanDerWaalsContact C-N 3.26Å; V293-R295 PolarHBondContact O-N 3.15Å
296L90.2Very high89.8Confident148 Ų14884.2 Ų84.278%0.77546%0.458SS*.Hα-helixtrans-70.8-30.7-179.3-72.9174.2000112.7I292 V293I292-L296 HydrophobicContact CG2-CD1 3.7Å; I292-L296 HydrophobicContact CG2-CG 4.16Å; I292-L296 PolarHBondContact O-N 3.03Å; V293-L296 PolarHBondContact O-N 3.41Å
297A88.7Confident89.7Confident30 Ų3080.8 Ų80.825%0.24844%0.441CS..THydrogen-bonded Turntrans-113.143.4178.500000111.6V293 D299 N300 V303V293-A297 PolarHBondContact O-N 2.88Å; V293-A297 VanDerWaalsContact O-N 3.16Å; A297-D299 PolarHBondContact O-N 2.91Å; A297-D299 VanDerWaalsContact O-N 3.14Å; A297-N300 HydrophobicContact CB-CB 4.28Å; A297-N300 PolarHBondContact O-N 2.84Å; A297-V303 HydrophobicContact CB-CB 3.94Å; A297-V303 HydrophobicContact CB-CG1 3.65Å; A297-V303 HydrophobicContact CB-CG2 4.2Å
298A82Confident89.6Confident64 Ų6480.3 Ų80.353%0.52944%0.443SS..THydrogen-bonded Turntrans-56.4-32-173.900000113.8N300A298-N300 VanDerWaalsContact C-N 3.32Å
299D88.7Confident89.6Confident173 Ų17381 Ų8193%0.92544%0.443SS*.THydrogen-bonded Turntrans-81.7-10179.9-58.2-33.5000113.3A297A297-D299 PolarHBondContact O-N 2.91Å; A297-D299 VanDerWaalsContact O-N 3.14Å
300N89.5Confident89.6Confident77 Ų7779.2 Ų79.241%0.41244%0.436SS..  trans-100.5100.9-179.1-165.5-23.3000111.2A297 A298 S302 V303 K304A297-N300 HydrophobicContact CB-CB 4.28Å; A297-N300 PolarHBondContact O-N 2.84Å; A298-N300 VanDerWaalsContact C-N 3.32Å; N300-S302 VanDerWaalsContact C-N 3.28Å; N300-S302 PolarHBondContact O-N 3.43Å; N300-S302 PolarHBondContact OD1-N 3.43Å; N300-S302 PolarHBondContact OD1-OG 3.13Å; N300-V303 HydrophobicContact CB-CB 4.19Å; N300-V303 HydrophobicContact CB-CG2 3.97Å; N300-V303 PolarHBondContact O-N 3.34Å; N300-K304 PolarHBondContact O-N 3.18Å; N300-K304 VanDerWaalsContact O-N 3.1Å
301A86.9Confident89.5Confident78 Ų7881.9 Ų81.965%0.64545%0.448SS*.Hα-helixtrans-57.3-36.5-177.500000113.7K304 Q305A301-K304 PolarHBondContact O-N 3.27Å; A301-Q305 PolarHBondContact O-N 3.46Å
302S88.3Confident89.5Confident67 Ų6787 Ų8747%0.46947%0.465SS..Hα-helixtrans-68.3-40.6-179.865.70000111.6N300 K304 Q305 S306N300-S302 VanDerWaalsContact C-N 3.28Å; N300-S302 PolarHBondContact O-N 3.43Å; N300-S302 PolarHBondContact OD1-N 3.43Å; N300-S302 PolarHBondContact OD1-OG 3.13Å; S302-K304 VanDerWaalsContact C-N 3.35Å; S302-K304 PolarHBondContact O-N 2.91Å; S302-Q305 PolarHBondContact O-N 3.31Å; S302-S306 PolarHBondContact O-N 2.86Å; S302-S306 PolarHBondContact O-OG 2.98Å
303V89.8Confident89.5Confident37 Ų3788.9 Ų88.922%0.22448%0.476CS..Hα-helixtrans-64.9-40.7176.2-1800000110.9V293 A297 N300 S306 G307V293-V303 HydrophobicContact CG1-CG1 3.43Å; V293-V303 VanDerWaalsContact CG1-CG1 3.43Å; A297-V303 HydrophobicContact CB-CB 3.94Å; A297-V303 HydrophobicContact CB-CG1 3.65Å; A297-V303 HydrophobicContact CB-CG2 4.2Å; N300-V303 HydrophobicContact CB-CB 4.19Å; N300-V303 HydrophobicContact CB-CG2 3.97Å; N300-V303 PolarHBondContact O-N 3.34Å; V303-S306 PolarHBondContact O-N 2.95Å; V303-G307 PolarHBondContact O-N 3.39Å
304K88.9Confident89.6Confident104 Ų10486 Ų8645%0.45246%0.458SS..Hα-helixtrans-60.8-45.9175.3-170.3179.1-179179.40111.9N300 A301 S302 G307 Q308N300-K304 PolarHBondContact O-N 3.18Å; N300-K304 VanDerWaalsContact O-N 3.1Å; A301-K304 PolarHBondContact O-N 3.27Å; S302-K304 VanDerWaalsContact C-N 3.35Å; S302-K304 PolarHBondContact O-N 2.91Å; K304-G307 PolarHBondContact O-N 2.93Å; K304-Q308 WeakPolarHBondContact O-CG 3.48Å; K304-Q308 PolarHBondContact O-N 3.5Å
305Q88.9Confident89.6Confident140 Ų14087.4 Ų87.465%0.65447%0.467SS*.Hα-helixtrans-63.2-44.4177.6-174.1-178.6-2.500111.8A301 S302 G307 Q308 L309A301-Q305 PolarHBondContact O-N 3.46Å; S302-Q305 PolarHBondContact O-N 3.31Å; Q305-G307 VanDerWaalsContact C-N 3.34Å; Q305-G307 PolarHBondContact O-N 3.47Å; Q305-Q308 PolarHBondContact O-N 2.85Å; Q305-L309 WeakPolarHBondContact O-CB 3.4Å; Q305-L309 PolarHBondContact O-N 3.24Å
306S89.5Confident89.6Confident69 Ų6979.2 Ų79.248%0.48345%0.448SS..Hα-helixtrans-61.2-41.9175.2-63.40000111.9S302 V303 L309 I310S302-S306 PolarHBondContact O-N 2.86Å; S302-S306 PolarHBondContact O-OG 2.98Å; V303-S306 PolarHBondContact O-N 2.95Å; S306-L309 PolarHBondContact O-N 2.85Å; S306-I310 VanDerWaalsContact O-CG1 3.29Å; S306-I310 WeakPolarHBondContact O-CG1 3.2Å; S306-I310 PolarHBondContact O-N 3.21Å
307G90.7Very high89.5Confident2 Ų275.8 Ų75.82%0.02143%0.433CS..Hα-helixtrans-63.1-42.1175.900000113.1Q294 V303 K304 Q305 L309 I310 E311Q294-G307 PolarHBondContact NE2-O 2.7Å; Q294-G307 VanDerWaalsContact NE2-O 3.12Å; V303-G307 PolarHBondContact O-N 3.39Å; K304-G307 PolarHBondContact O-N 2.93Å; Q305-G307 VanDerWaalsContact C-N 3.34Å; Q305-G307 PolarHBondContact O-N 3.47Å; G307-L309 VanDerWaalsContact C-N 3.34Å; G307-I310 PolarHBondContact O-N 3.33Å; G307-E311 PolarHBondContact O-N 3.32Å
308Q90.4Very high89.5Confident90 Ų9078 Ų7842%0.42144%0.436SS..Hα-helixtrans-64.1-40.6175.6-74.8178.3-20.400111.6K304 Q305 E311 Q312K304-Q308 WeakPolarHBondContact O-CG 3.48Å; K304-Q308 PolarHBondContact O-N 3.5Å; Q305-Q308 PolarHBondContact O-N 2.85Å; Q308-E311 PolarHBondContact O-N 2.93Å; Q308-Q312 WeakPolarHBondContact O-CG 3.32Å; Q308-Q312 PolarHBondContact O-N 3.3Å
309L91.8Very high89.6Confident93 Ų9378.2 Ų78.249%0.48743%0.428SS..Hα-helixtrans-63-42.3175.5-176.963.9000111.5Q305 S306 G307 E311 Q312 L313Q305-L309 WeakPolarHBondContact O-CB 3.4Å; Q305-L309 PolarHBondContact O-N 3.24Å; S306-L309 PolarHBondContact O-N 2.85Å; G307-L309 VanDerWaalsContact C-N 3.34Å; L309-E311 VanDerWaalsContact C-N 3.34Å; L309-E311 PolarHBondContact O-N 2.95Å; L309-Q312 PolarHBondContact O-N 3.31Å; L309-L313 HydrophobicContact CD1-CD1 4.4Å; L309-L313 HydrophobicContact CD1-CG 4.34Å; L309-L313 HydrophobicContact CG-CD1 4.06Å; L309-L313 HydrophobicContact CG-CG 4.43Å; L309-L313 WeakPolarHBondContact O-CB 3.32Å; L309-L313 VanDerWaalsContact O-CG 3.28Å; L309-L313 WeakPolarHBondContact O-CG 3.36Å; L309-L313 PolarHBondContact O-N 2.96Å
310I92.5Very high89.4Confident77 Ų7771.7 Ų71.740%0.39540%0.398SS..Hα-helixtrans-60.6-43.9174.7-68.2164.3000110.6I286 A290 S306 G307 L313 S314I286-I310 HydrophobicContact CG2-CG2 3.62Å; A290-I310 HydrophobicContact CB-CB 4.12Å; A290-I310 HydrophobicContact CB-CG2 3.76Å; S306-I310 VanDerWaalsContact O-CG1 3.29Å; S306-I310 WeakPolarHBondContact O-CG1 3.2Å; S306-I310 PolarHBondContact O-N 3.21Å; G307-I310 PolarHBondContact O-N 3.33Å; I310-L313 PolarHBondContact O-N 3.44Å; I310-S314 VanDerWaalsContact O-CB 3.3Å; I310-S314 WeakPolarHBondContact O-CB 3.35Å; I310-S314 PolarHBondContact O-N 3.42Å; I310-S314 PolarHBondContact O-OG 2.88Å
311E91.3Very high89.3Confident61 Ų6169.2 Ų69.229%0.28539%0.386SS..Hα-helixtrans-61.5-47176.5-176.8168.4-16000111.6R287 G307 Q308 L309 L313 S314 L315R287-E311 HydrophobicContact CG-CG 4.47Å; R287-E311 IonicContact CZ-OE1 3.72Å; R287-E311 IonicContact NE-OE1 3.49Å; R287-E311 PolarHBondContact NE-OE1 3.01Å; R287-E311 IonicContact NH2-OE1 3.61Å; R287-E311 PolarHBondContact NH2-OE1 3.17Å; G307-E311 PolarHBondContact O-N 3.32Å; Q308-E311 PolarHBondContact O-N 2.93Å; L309-E311 VanDerWaalsContact C-N 3.34Å; L309-E311 PolarHBondContact O-N 2.95Å; E311-L313 PolarHBondContact O-N 3.36Å; E311-S314 PolarHBondContact O-N 3.32Å; E311-S314 PolarHBondContact O-OG 3.48Å; E311-L315 HydrophobicContact CG-CD1 4.32Å; E311-L315 WeakPolarHBondContact O-CG 3.1Å; E311-L315 PolarHBondContact O-N 2.93Å
312Q91.5Very high89Confident131 Ų13173.2 Ų73.261%0.61238%0.384SS*.Hα-helixtrans-61-45.4177.3-73.4177.3-9.300112.6Q308 L309 S314 L315 G316Q308-Q312 WeakPolarHBondContact O-CG 3.32Å; Q308-Q312 PolarHBondContact O-N 3.3Å; L309-Q312 PolarHBondContact O-N 3.31Å; Q312-S314 VanDerWaalsContact C-N 3.33Å; Q312-S314 PolarHBondContact O-N 2.86Å; Q312-L315 PolarHBondContact O-N 3.4Å; Q312-G316 PolarHBondContact O-N 3.49Å
313L91.6Very high88.5Confident109 Ų10977.4 Ų77.457%0.57139%0.39SS*.Hα-helixtrans-62.5-41.2176.3-71.8172.9000111.3L309 I310 E311 L315 G316 V317L309-L313 HydrophobicContact CD1-CD1 4.4Å; L309-L313 HydrophobicContact CD1-CG 4.34Å; L309-L313 HydrophobicContact CG-CD1 4.06Å; L309-L313 HydrophobicContact CG-CG 4.43Å; L309-L313 WeakPolarHBondContact O-CB 3.32Å; L309-L313 VanDerWaalsContact O-CG 3.28Å; L309-L313 WeakPolarHBondContact O-CG 3.36Å; L309-L313 PolarHBondContact O-N 2.96Å; I310-L313 PolarHBondContact O-N 3.44Å; E311-L313 PolarHBondContact O-N 3.36Å; L313-L315 VanDerWaalsContact C-N 3.35Å; L313-L315 PolarHBondContact O-N 2.95Å; L313-G316 PolarHBondContact O-N 3.39Å; L313-V317 WeakPolarHBondContact O-CG2 3.31Å; L313-V317 PolarHBondContact O-N 3.25Å
314S92Very high88.1Confident7 Ų780.5 Ų80.55%0.04941%0.405CS..Hα-helixtrans-64.4-38177.876.90000112.6R287 I310 E311 Q312 V317 Y318R287-S314 WeakPolarHBondContact CG-OG 3.5Å; I310-S314 VanDerWaalsContact O-CB 3.3Å; I310-S314 WeakPolarHBondContact O-CB 3.35Å; I310-S314 PolarHBondContact O-N 3.42Å; I310-S314 PolarHBondContact O-OG 2.88Å; E311-S314 PolarHBondContact O-N 3.32Å; E311-S314 PolarHBondContact O-OG 3.48Å; Q312-S314 VanDerWaalsContact C-N 3.33Å; Q312-S314 PolarHBondContact O-N 2.86Å; S314-V317 PolarHBondContact O-N 3.21Å; S314-Y318 WeakPolarHBondContact O-CB 2.99Å; S314-Y318 PolarHBondContact O-N 3.07Å
315L89.3Confident87.7Confident66 Ų6676 Ų7635%0.34639%0.385SS..Hα-helixtrans-66.5-43.1173.3-72.9170.6000111.1E311 Q312 L313 V317 Y318 D319E311-L315 HydrophobicContact CG-CD1 4.32Å; E311-L315 WeakPolarHBondContact O-CG 3.1Å; E311-L315 PolarHBondContact O-N 2.93Å; Q312-L315 PolarHBondContact O-N 3.4Å; L313-L315 VanDerWaalsContact C-N 3.35Å; L313-L315 PolarHBondContact O-N 2.95Å; L315-V317 VanDerWaalsContact C-N 3.32Å; L315-V317 PolarHBondContact O-N 3.47Å; L315-Y318 WeakPolarHBondContact O-CB 3.32Å; L315-Y318 PolarHBondContact O-N 3.03Å; L315-Y318 VanDerWaalsContact O-N 3.16Å; L315-D319 PolarHBondContact O-N 2.84Å
316G89Confident87.1Confident40 Ų4070.5 Ų70.541%0.41237%0.366SS..Hα-helixtrans-58.9-41.7175.100000112.9Q312 L313 A320Q312-G316 PolarHBondContact O-N 3.49Å; L313-G316 PolarHBondContact O-N 3.39Å; G316-A320 WeakPolarHBondContact O-CB 3.39Å; G316-A320 PolarHBondContact O-N 3.37Å
317V89.2Confident86.4Confident76 Ų7674.4 Ų74.446%0.46137%0.37SS..Hα-helixtrans-66.3-43.3174.1174.70000111I283 L313 S314 L315 D319 A320 V321I283-V317 HydrophobicContact CD1-CB 4.44Å; I283-V317 HydrophobicContact CD1-CG1 4.07Å; L313-V317 WeakPolarHBondContact O-CG2 3.31Å; L313-V317 PolarHBondContact O-N 3.25Å; S314-V317 PolarHBondContact O-N 3.21Å; L315-V317 VanDerWaalsContact C-N 3.32Å; L315-V317 PolarHBondContact O-N 3.47Å; V317-D319 VanDerWaalsContact C-N 3.34Å; V317-D319 PolarHBondContact O-N 2.91Å; V317-A320 PolarHBondContact O-N 2.8Å; V317-V321 HydrophobicContact CG1-CG2 4.22Å; V317-V321 WeakPolarHBondContact O-CB 3.26Å; V317-V321 WeakPolarHBondContact O-CG2 3.35Å; V317-V321 PolarHBondContact O-N 3.3Å
318Y88.1Confident85.7Confident77 Ų7777 Ų7730%0.30238%0.383SS..Hα-helixtrans-56.6-48.7176.6-177.4-100.6000111.4I283 S314 L315 A320 V321 R322I283-Y318 VanDerWaalsContact CD1-CA 3.5Å; I283-Y318 HydrophobicContact CD1-CD2 4.03Å; I283-Y318 HydrophobicContact CD1-CG 4.37Å; I283-Y318 HydrophobicContact CG2-CD2 4.45Å; S314-Y318 WeakPolarHBondContact O-CB 2.99Å; S314-Y318 PolarHBondContact O-N 3.07Å; L315-Y318 WeakPolarHBondContact O-CB 3.32Å; L315-Y318 PolarHBondContact O-N 3.03Å; L315-Y318 VanDerWaalsContact O-N 3.16Å; Y318-A320 PolarHBondContact O-N 3.37Å; Y318-V321 PolarHBondContact O-N 2.98Å; Y318-R322 VanDerWaalsContact O-CB 3.22Å; Y318-R322 WeakPolarHBondContact O-CB 3.24Å; Y318-R322 PolarHBondContact O-N 2.86Å
319D85.1Confident84.9Confident69 Ų6973.6 Ų73.637%0.36937%0.366SS..Hα-helixtrans-67.3-38.1-180-70.3-27.5000111.9L315 V317 R322 R323L315-D319 PolarHBondContact O-N 2.84Å; V317-D319 VanDerWaalsContact C-N 3.34Å; V317-D319 PolarHBondContact O-N 2.91Å; D319-R322 PolarHBondContact O-N 3.37Å; D319-R323 WeakPolarHBondContact O-CG 3.45Å; D319-R323 PolarHBondContact O-N 2.9Å
320A84.2Confident84Confident35 Ų3569.3 Ų69.329%0.28934%0.344SS..Hα-helixtrans-63.3-46.217500000112.1G316 V317 Y318 R323 L324G316-A320 WeakPolarHBondContact O-CB 3.39Å; G316-A320 PolarHBondContact O-N 3.37Å; V317-A320 PolarHBondContact O-N 2.8Å; Y318-A320 PolarHBondContact O-N 3.37Å; A320-R323 PolarHBondContact O-N 3.13Å; A320-L324 WeakPolarHBondContact O-CG 3.37Å; A320-L324 PolarHBondContact O-N 3.4Å
321V85.9Confident82.9Confident26 Ų2669.7 Ų69.716%0.15834%0.341CS..Hα-helixtrans-65.2-43.3176.6169.60000110.4I279 V317 Y318 R323 L324 L325I279-V321 HydrophobicContact CB-CG1 4.36Å; I279-V321 HydrophobicContact CD1-CB 4.44Å; I279-V321 HydrophobicContact CD1-CG1 3.61Å; I279-V321 HydrophobicContact CD1-CG2 3.98Å; I279-V321 HydrophobicContact CG2-CB 4.38Å; I279-V321 HydrophobicContact CG2-CG1 4.07Å; I279-V321 HydrophobicContact CG2-CG2 4.16Å; V317-V321 HydrophobicContact CG1-CG2 4.22Å; V317-V321 WeakPolarHBondContact O-CB 3.26Å; V317-V321 WeakPolarHBondContact O-CG2 3.35Å; V317-V321 PolarHBondContact O-N 3.3Å; Y318-V321 PolarHBondContact O-N 2.98Å; V321-R323 VanDerWaalsContact C-N 3.28Å; V321-R323 PolarHBondContact O-N 3.25Å; V321-L324 CarbonylContact O-C 3.6Å; V321-L324 PolarHBondContact O-N 3.37Å; V321-L325 HydrophobicContact CG1-CD1 3.86Å; V321-L325 HydrophobicContact CG1-CG 4.09Å; V321-L325 WeakPolarHBondContact O-CB 3.43Å; V321-L325 WeakPolarHBondContact O-CG 3.27Å; V321-L325 PolarHBondContact O-N 3.05Å
322R81.6Confident82.1Confident161 Ų16168.1 Ų68.161%0.60833%0.333SS*.Hα-helixtrans-57.7-41.2176-171.7176.6-179.5-161.4-0.3111.8Y318 D319 L325 G326Y318-R322 VanDerWaalsContact O-CB 3.22Å; Y318-R322 WeakPolarHBondContact O-CB 3.24Å; Y318-R322 PolarHBondContact O-N 2.86Å; D319-R322 PolarHBondContact O-N 3.37Å; R322-L325 PolarHBondContact O-N 3.46Å; R322-G326 PolarHBondContact O-N 3.12Å
323R78.4Confident81.6Confident156 Ų15662 Ų6259%0.58931%0.305SS*.Hα-helixtrans-64.3-40.9172.9-73.7-173.2-61.6-92.92.1112.7D319 A320 V321 G326 R327D319-R323 WeakPolarHBondContact O-CG 3.45Å; D319-R323 PolarHBondContact O-N 2.9Å; A320-R323 PolarHBondContact O-N 3.13Å; V321-R323 VanDerWaalsContact C-N 3.28Å; V321-R323 PolarHBondContact O-N 3.25Å; R323-G326 PolarHBondContact O-N 2.85Å; R323-R327 PolarHBondContact O-N 3.23Å
324L81Confident80.9Confident102 Ų10259.5 Ų59.553%0.53429%0.292SS..Hα-helixtrans-67.3-41.3176.7-70.2173.7000112.1A320 V321 G326 R327 L328A320-L324 WeakPolarHBondContact O-CG 3.37Å; A320-L324 PolarHBondContact O-N 3.4Å; V321-L324 CarbonylContact O-C 3.6Å; V321-L324 PolarHBondContact O-N 3.37Å; L324-G326 PolarHBondContact O-N 3.42Å; L324-R327 WeakPolarHBondContact O-CB 3.2Å; L324-R327 PolarHBondContact O-N 3.2Å; L324-R327 VanDerWaalsContact O-N 3.14Å; L324-L328 PolarHBondContact O-N 3.33Å
325L81.1Confident80.4Confident9 Ų966.2 Ų66.25%0.04733%0.328CS..Hα-helixtrans-61.3-42.4175.1-72.4175.3000111.6A272 L275 H276 V321 R322 R327 L328 R329A272-L325 HydrophobicContact CB-CD2 3.97Å; A272-L325 WeakPolarHBondContact O-CD2 3.21Å; L275-L325 HydrophobicContact CB-CD2 3.86Å; L275-L325 HydrophobicContact CD1-CD2 4.28Å; H276-L325 HydrophobicContact CB-CD1 3.9Å; V321-L325 HydrophobicContact CG1-CD1 3.86Å; V321-L325 HydrophobicContact CG1-CG 4.09Å; V321-L325 WeakPolarHBondContact O-CB 3.43Å; V321-L325 WeakPolarHBondContact O-CG 3.27Å; V321-L325 PolarHBondContact O-N 3.05Å; R322-L325 PolarHBondContact O-N 3.46Å; L325-R327 PolarHBondContact O-N 3.26Å; L325-L328 PolarHBondContact O-N 2.9Å; L325-R329 PolarHBondContact O-N 3.47Å
326G75.3Confident80.2Confident24 Ų2466 Ų6625%0.24733%0.326CS..Hα-helixtrans-61.7-29.8174.600000113.8R322 R323 L324R322-G326 PolarHBondContact O-N 3.12Å; R323-G326 PolarHBondContact O-N 2.85Å; L324-G326 PolarHBondContact O-N 3.42Å
327R74.7Confident80.2Confident152 Ų15267 Ų6757%0.57432%0.324SS*.Hα-helixtrans-76.3-33.7170.9-67.1179.2-177.4179.52.4112.6R323 L324 L325 R379R323-R327 PolarHBondContact O-N 3.23Å; L324-R327 WeakPolarHBondContact O-CB 3.2Å; L324-R327 PolarHBondContact O-N 3.2Å; L324-R327 VanDerWaalsContact O-N 3.14Å; L325-R327 PolarHBondContact O-N 3.26Å; R327-R379 PolarHBondContact O-NH1 3.35Å
328L76.4Confident80.2Confident57 Ų5763.3 Ų63.330%0.29830%0.302SS..Hα-helixtrans-72.8-40.9178.2-81.9162.9000112.1A272 L275 L324 L325 R379A272-L328 HydrophobicContact CB-CB 4.43Å; L275-L328 HydrophobicContact CD1-CD1 4.3Å; L324-L328 PolarHBondContact O-N 3.33Å; L325-L328 PolarHBondContact O-N 2.9Å; L328-R379 PolarHBondContact O-NH2 3.46Å
329R73.9Confident80.4Confident17 Ų1762.5 Ų62.56%0.06430%0.301CS..SBendtrans-149.3123.4177174.1168.3156.6-148.90.3110.3R269 A272 L325 R331 D334R269-R329 VanDerWaalsContact CZ-CZ 3.43Å; R269-R329 VanDerWaalsContact NH1-NH2 3.18Å; R269-R329 PolarHBondContact O-NH1 2.92Å; R269-R329 VanDerWaalsContact O-NH1 3.16Å; A272-R329 HydrophobicContact CB-CB 3.97Å; L325-R329 PolarHBondContact O-N 3.47Å; R329-R331 PolarHBondContact O-N 3.4Å; R329-D334 IonicContact CZ-OD1 3.17Å; R329-D334 IonicContact CZ-OD2 3.26Å; R329-D334 IonicContact NE-OD2 2.74Å; R329-D334 PolarHBondContact NE-OD2 2.92Å; R329-D334 IonicContact NH2-OD1 2.9Å; R329-D334 PolarHBondContact NH2-OD1 2.72Å; R329-D334 IonicContact NH2-OD2 3.57Å; R329-D334 PolarHBondContact NH2-OD2 3.44Å
330P71.4Confident80.7Confident3 Ų363.6 Ų63.62%0.01930%0.304CS..  trans-75.292.1176.721.2-15.7000110.5Q332 L333 F378P330-Q332 PolarHBondContact O-N 2.95Å; P330-Q332 VanDerWaalsContact O-N 3.12Å; P330-L333 HydrophobicContact CB-CD1 4.44Å; P330-L333 HydrophobicContact CB-CG 4.38Å; P330-L333 HydrophobicContact CG-CD1 3.87Å; P330-L333 HydrophobicContact CG-CG 4.34Å; P330-L333 WeakPolarHBondContact O-CB 3.45Å; P330-L333 PolarHBondContact O-N 3.14Å; P330-F378 HydrophobicContact CB-CD1 3.48Å; P330-F378 VanDerWaalsContact CB-CD1 3.48Å; P330-F378 HydrophobicContact CB-CE1 3.12Å; P330-F378 HydrophobicContact CB-CE2 4.3Å; P330-F378 HydrophobicContact CB-CG 4.24Å; P330-F378 HydrophobicContact CB-CZ 3.56Å; P330-F378 HydrophobicContact CG-CD1 3.38Å; P330-F378 HydrophobicContact CG-CE1 3.55Å; P330-F378 HydrophobicContact CG-CG 4.18Å; P330-F378 HydrophobicContact CG-CZ 4.41Å
331R70.4Confident81Confident85 Ų8561.9 Ų61.932%0.32129%0.29SS..THydrogen-bonded Turntrans-57-23.6176.5-71.5-170.3169-170.3-4.1112.8A272 H276 R329 L333 D334A272-R331 PolarHBondContact O-NH2 3.42Å; H276-R331 PolarHBondContact CD2-NH1 3.39Å; H276-R331 PolarHBondContact CD2-NH2 3.35Å; H276-R331 VanDerWaalsContact CD2-NH2 3.34Å; H276-R331 PolarHBondContact CE1-NH1 3.01Å; H276-R331 PolarHBondContact ND1-NH1 3.01Å; H276-R331 PolarHBondContact NE2-NH1 3.23Å; H276-R331 VanDerWaalsContact NE2-NH1 3.19Å; R329-R331 PolarHBondContact O-N 3.4Å; R331-L333 PolarHBondContact O-N 2.99Å; R331-L333 VanDerWaalsContact O-N 3.13Å; R331-D334 PolarHBondContact O-N 3.25Å
332Q74.9Confident81.2Confident28 Ų2860.7 Ų60.713%0.13128%0.283CS..Hα-helixtrans-55.1-30.9174.7-61.798.1-9.900111.9P330 D334 L336 A341 E348P330-Q332 PolarHBondContact O-N 2.95Å; P330-Q332 VanDerWaalsContact O-N 3.12Å; Q332-D334 VanDerWaalsContact C-N 3.31Å; Q332-D334 PolarHBondContact O-N 2.99Å; Q332-L336 HydrophobicContact CB-CD1 4.2Å; Q332-L336 WeakPolarHBondContact O-CA 3.4Å; Q332-L336 WeakPolarHBondContact O-CB 3.19Å; Q332-L336 WeakPolarHBondContact O-CG 3.42Å; Q332-L336 PolarHBondContact O-N 3.09Å; Q332-A341 HydrophobicContact CB-CB 3.65Å; Q332-E348 VanDerWaalsContact NE2-CD 3.31Å; Q332-E348 PolarHBondContact NE2-OE1 3.3Å; Q332-E348 PolarHBondContact NE2-OE2 3.03Å; Q332-E348 VanDerWaalsContact NE2-OE2 3.08Å
333L80.5Confident81.7Confident3 Ų358 Ų582%0.01627%0.272CS..Hα-helixtrans-74.6-16.8179.1-64.6-179000114.5P330 R331 L338 A341 R374 V375 F378P330-L333 HydrophobicContact CB-CD1 4.44Å; P330-L333 HydrophobicContact CB-CG 4.38Å; P330-L333 HydrophobicContact CG-CD1 3.87Å; P330-L333 HydrophobicContact CG-CG 4.34Å; P330-L333 WeakPolarHBondContact O-CB 3.45Å; P330-L333 PolarHBondContact O-N 3.14Å; R331-L333 PolarHBondContact O-N 2.99Å; R331-L333 VanDerWaalsContact O-N 3.13Å; L333-L338 HydrophobicContact CD2-CD1 3.78Å; L333-A341 HydrophobicContact CD2-CB 3.72Å; L333-R374 HydrophobicContact CD1-CG 4.38Å; L333-R374 HydrophobicContact CD2-CG 3.9Å; L333-R374 PolarHBondContact O-NH2 2.63Å; L333-V375 HydrophobicContact CD1-CB 4.42Å; L333-V375 HydrophobicContact CD1-CG2 3.96Å; L333-F378 HydrophobicContact CD1-CB 3.77Å; L333-F378 HydrophobicContact CD1-CD2 4.49Å; L333-F378 HydrophobicContact CD1-CG 4Å; L333-F378 HydrophobicContact CD2-CB 4.14Å; L333-F378 HydrophobicContact CD2-CD2 3.88Å; L333-F378 HydrophobicContact CD2-CG 4.17Å; L333-F378 HydrophobicContact CG-CB 4.33Å; L333-F378 HydrophobicContact CG-CD2 4.19Å; L333-F378 HydrophobicContact CG-CG 4.18Å
334D77.2Confident82.2Confident57 Ų5751.5 Ų51.531%0.30525%0.251SS..Hα-helixtrans-76.9-37178.4-65.5-53.5000111.1R269 R329 R331 Q332R269-D334 IonicContact CZ-OD1 3.73Å; R269-D334 IonicContact NH1-OD1 3.97Å; R269-D334 PolarHBondContact NH1-OD1 2.86Å; R269-D334 IonicContact NH2-OD1 3.97Å; R269-D334 PolarHBondContact NH2-OD1 3.4Å; R329-D334 IonicContact CZ-OD1 3.17Å; R329-D334 IonicContact CZ-OD2 3.26Å; R329-D334 IonicContact NE-OD2 2.74Å; R329-D334 PolarHBondContact NE-OD2 2.92Å; R329-D334 IonicContact NH2-OD1 2.9Å; R329-D334 PolarHBondContact NH2-OD1 2.72Å; R329-D334 IonicContact NH2-OD2 3.57Å; R329-D334 PolarHBondContact NH2-OD2 3.44Å; R331-D334 PolarHBondContact O-N 3.25Å; Q332-D334 VanDerWaalsContact C-N 3.31Å; Q332-D334 PolarHBondContact O-N 2.99Å
335D80.4Confident82.5Confident148 Ų14847.1 Ų47.179%0.79123%0.228SC*.Hα-helixtrans-108-20.5-173.4-60.3-37.4000113.7
336L85.7Confident82.9Confident61 Ų6147.3 Ų47.332%0.31923%0.229SC..SBendtrans-119.6156.3-173.1-50.8175.1000112Q332 Q340Q332-L336 HydrophobicContact CB-CD1 4.2Å; Q332-L336 WeakPolarHBondContact O-CA 3.4Å; Q332-L336 WeakPolarHBondContact O-CB 3.19Å; Q332-L336 WeakPolarHBondContact O-CG 3.42Å; Q332-L336 PolarHBondContact O-N 3.09Å; L336-Q340 HydrophobicContact CB-CB 3.84Å; L336-Q340 HydrophobicContact CD1-CB 4.41Å
337T88.4Confident83.4Confident60 Ų6054.7 Ų54.737%0.36825%0.249SC..  trans-63.2155.6165.863.40000110.3E339 Q340 A341 E366T337-E339 VanDerWaalsContact C-N 3.27Å; T337-E339 PolarHBondContact O-N 3.47Å; T337-Q340 PolarHBondContact O-N 2.91Å; T337-Q340 VanDerWaalsContact O-N 3.07Å; T337-Q340 WeakPolarHBondContact OG1-CB 3.4Å; T337-Q340 VanDerWaalsContact OG1-CD 3.27Å; T337-Q340 WeakPolarHBondContact OG1-CG 3.29Å; T337-Q340 PolarHBondContact OG1-N 3.45Å; T337-A341 WeakPolarHBondContact O-CB 3.33Å; T337-A341 PolarHBondContact O-N 2.69Å; T337-E366 WeakPolarHBondContact CA-OE2 3.42Å; T337-E366 WeakPolarHBondContact CB-OE2 3.31Å
338L89.7Confident83.9Confident0 Ų052.8 Ų52.80%025%0.247CC..Hα-helixtrans-57-42.3179.817954.9000111.3L333 Q340 A341 I342 W362 E366 L369 R374 L377 F378L333-L338 HydrophobicContact CD2-CD1 3.78Å; L338-Q340 PolarHBondContact O-N 2.88Å; L338-A341 PolarHBondContact O-N 3.38Å; L338-I342 HydrophobicContact CD1-CD1 3.92Å; L338-I342 HydrophobicContact CD1-CG1 4.17Å; L338-I342 HydrophobicContact CG-CD1 3.98Å; L338-I342 VanDerWaalsContact O-CG1 3.29Å; L338-I342 WeakPolarHBondContact O-CG1 3.45Å; L338-I342 PolarHBondContact O-N 3.3Å; L338-W362 HydrophobicContact CB-CZ2 4.17Å; L338-W362 HydrophobicContact CD2-CH2 3.71Å; L338-W362 HydrophobicContact CD2-CZ2 3.45Å; L338-W362 VanDerWaalsContact CD2-CZ2 3.45Å; L338-W362 HydrophobicContact CG-CH2 3.85Å; L338-W362 HydrophobicContact CG-CZ2 3.56Å; L338-E366 HydrophobicContact CB-CG 4.46Å; L338-E366 WeakPolarHBondContact CB-OE1 3.43Å; L338-E366 PolarHBondContact N-OE1 3.43Å; L338-E366 PolarHBondContact N-OE2 2.81Å; L338-L369 HydrophobicContact CD2-CD1 4.17Å; L338-R374 HydrophobicContact CB-CG 4.12Å; L338-R374 HydrophobicContact CD1-CG 4.26Å; L338-R374 HydrophobicContact CD2-CG 4.24Å; L338-R374 HydrophobicContact CG-CG 4.44Å; L338-L377 HydrophobicContact CD2-CB 3.79Å; L338-L377 HydrophobicContact CD2-CD1 3.75Å; L338-L377 HydrophobicContact CD2-CG 4.44Å; L338-F378 HydrophobicContact CD1-CB 3.75Å; L338-F378 HydrophobicContact CD1-CD2 4.2Å; L338-F378 HydrophobicContact CD1-CG 4.49Å
339E92.5Very high84.3Confident59 Ų5951.4 Ų51.428%0.27624%0.239SC..Hα-helixtrans-56.2-50.6173.2-169.2-171157.700111.7T337 A341 I342 R343 L360 W362 E366T337-E339 VanDerWaalsContact C-N 3.27Å; T337-E339 PolarHBondContact O-N 3.47Å; E339-A341 VanDerWaalsContact C-N 3.31Å; E339-A341 PolarHBondContact O-N 2.87Å; E339-I342 PolarHBondContact O-N 3.27Å; E339-R343 WeakPolarHBondContact O-CG 3.33Å; E339-R343 PolarHBondContact O-N 2.97Å; E339-R343 IonicContact OE1-CZ 3.39Å; E339-R343 VanDerWaalsContact OE1-CZ 3.26Å; E339-R343 IonicContact OE1-NE 3.99Å; E339-R343 PolarHBondContact OE1-NE 2.84Å; E339-R343 IonicContact OE1-NH2 3.06Å; E339-R343 PolarHBondContact OE1-NH2 2.83Å; E339-L360 HydrophobicContact CG-CD2 4.23Å; E339-W362 HydrophobicContact CB-CB 4.46Å; E339-W362 HydrophobicContact CB-CD2 4.4Å; E339-W362 HydrophobicContact CB-CG 3.93Å; E339-W362 HydrophobicContact CG-CB 3.76Å; E339-W362 HydrophobicContact CG-CD2 4.47Å; E339-W362 HydrophobicContact CG-CG 3.76Å; E339-E366 PolarHBondContact N-OE1 2.82Å
340Q91.2Very high84.8Confident92 Ų9256.9 Ų56.943%0.4327%0.266SS..Hα-helixtrans-64.8-37.4-179-74.3172.90.100111.8L336 T337 L338 R343 S344L336-Q340 HydrophobicContact CB-CB 3.84Å; L336-Q340 HydrophobicContact CD1-CB 4.41Å; T337-Q340 PolarHBondContact O-N 2.91Å; T337-Q340 VanDerWaalsContact O-N 3.07Å; T337-Q340 WeakPolarHBondContact OG1-CB 3.4Å; T337-Q340 VanDerWaalsContact OG1-CD 3.27Å; T337-Q340 WeakPolarHBondContact OG1-CG 3.29Å; T337-Q340 PolarHBondContact OG1-N 3.45Å; L338-Q340 PolarHBondContact O-N 2.88Å; Q340-R343 PolarHBondContact O-N 2.86Å; Q340-S344 WeakPolarHBondContact O-CB 3.18Å; Q340-S344 PolarHBondContact O-N 2.93Å
341A89.9Confident85.3Confident0 Ų056.9 Ų56.90%027%0.266CS..Hα-helixtrans-64-43.7175.400000111.4Q332 L333 T337 L338 E339 S344 L345 F378Q332-A341 HydrophobicContact CB-CB 3.65Å; L333-A341 HydrophobicContact CD2-CB 3.72Å; T337-A341 WeakPolarHBondContact O-CB 3.33Å; T337-A341 PolarHBondContact O-N 2.69Å; L338-A341 PolarHBondContact O-N 3.38Å; E339-A341 VanDerWaalsContact C-N 3.31Å; E339-A341 PolarHBondContact O-N 2.87Å; A341-S344 WeakPolarHBondContact O-CB 3.38Å; A341-S344 PolarHBondContact O-N 3.27Å; A341-L345 WeakPolarHBondContact O-CB 3.28Å; A341-L345 PolarHBondContact O-N 3.32Å; A341-F378 HydrophobicContact CB-CD2 3.91Å; A341-F378 HydrophobicContact CB-CE2 3.78Å
342I91.6Very high85.8Confident0 Ų060.7 Ų60.70%029%0.287CS..Hα-helixtrans-64.4-43.3175.1-67.2165.3000110.5L338 E339 S344 L345 M346 L360 W362 F378 C381 L399L338-I342 HydrophobicContact CD1-CD1 3.92Å; L338-I342 HydrophobicContact CD1-CG1 4.17Å; L338-I342 HydrophobicContact CG-CD1 3.98Å; L338-I342 VanDerWaalsContact O-CG1 3.29Å; L338-I342 WeakPolarHBondContact O-CG1 3.45Å; L338-I342 PolarHBondContact O-N 3.3Å; E339-I342 PolarHBondContact O-N 3.27Å; I342-S344 VanDerWaalsContact C-N 3.3Å; I342-S344 PolarHBondContact O-N 3.37Å; I342-L345 WeakPolarHBondContact O-CB 3.28Å; I342-L345 PolarHBondContact O-N 3.09Å; I342-M346 HydrophobicContact CG2-SD 4.05Å; I342-M346 WeakPolarHBondContact O-CG 3.5Å; I342-M346 PolarHBondContact O-N 3.43Å; I342-L360 HydrophobicContact CG2-CD1 4.05Å; I342-L360 HydrophobicContact CG2-CD2 4.13Å; I342-W362 HydrophobicContact CD1-CE3 4.18Å; I342-W362 HydrophobicContact CD1-CH2 3.52Å; I342-W362 HydrophobicContact CD1-CZ2 4.29Å; I342-W362 HydrophobicContact CD1-CZ3 3.45Å; I342-W362 VanDerWaalsContact CD1-CZ3 3.45Å; I342-F378 HydrophobicContact CG1-CD2 4.31Å; I342-C381 HydrophobicContact CD1-CB 4.49Å; I342-C381 HydrophobicContact CG1-CB 4.29Å; I342-L399 HydrophobicContact CG2-CD1 4.08Å
343R91.3Very high86.2Confident104 Ų10463 Ų6339%0.39232%0.318SS..Hα-helixtrans-61.4-36.9173.7-70.4-177.1-173.8-72.6-2.6112.5E339 Q340 R347 L360E339-R343 WeakPolarHBondContact O-CG 3.33Å; E339-R343 PolarHBondContact O-N 2.97Å; E339-R343 IonicContact OE1-CZ 3.39Å; E339-R343 VanDerWaalsContact OE1-CZ 3.26Å; E339-R343 IonicContact OE1-NE 3.99Å; E339-R343 PolarHBondContact OE1-NE 2.84Å; E339-R343 IonicContact OE1-NH2 3.06Å; E339-R343 PolarHBondContact OE1-NH2 2.83Å; Q340-R343 PolarHBondContact O-N 2.86Å; R343-R347 WeakPolarHBondContact O-CG 3.33Å; R343-R347 PolarHBondContact O-N 3.06Å; R343-R347 PolarHBondContact O-NE 3.02Å; R343-R347 VanDerWaalsContact O-NE 3.17Å; R343-L360 HydrophobicContact CG-CD2 3.36Å
344S88.4Confident86.4Confident20 Ų2069.8 Ų69.814%0.1434%0.343CS..Hα-helixtrans-65.5-46.1174-163.20000111.1Q340 A341 I342 M346 R347 E348Q340-S344 WeakPolarHBondContact O-CB 3.18Å; Q340-S344 PolarHBondContact O-N 2.93Å; A341-S344 WeakPolarHBondContact O-CB 3.38Å; A341-S344 PolarHBondContact O-N 3.27Å; I342-S344 VanDerWaalsContact C-N 3.3Å; I342-S344 PolarHBondContact O-N 3.37Å; S344-M346 PolarHBondContact O-N 3.49Å; S344-R347 WeakPolarHBondContact O-CB 3.32Å; S344-R347 PolarHBondContact O-N 3.05Å; S344-R347 VanDerWaalsContact O-N 3.14Å; S344-E348 WeakPolarHBondContact O-CG 3.46Å; S344-E348 PolarHBondContact O-N 3.17Å; S344-E348 PolarHBondContact OG-OE1 3.23Å; S344-E348 VanDerWaalsContact OG-OE1 3.04Å
345L88Confident86.8Confident10 Ų1069.7 Ų69.75%0.05236%0.356CS..Hα-helixtrans-57.9-46.2177.4174.567.5000111.8A341 I342 R347 E348 M349 F378 Q382 L385A341-L345 WeakPolarHBondContact O-CB 3.28Å; A341-L345 PolarHBondContact O-N 3.32Å; I342-L345 WeakPolarHBondContact O-CB 3.28Å; I342-L345 PolarHBondContact O-N 3.09Å; L345-R347 VanDerWaalsContact C-N 3.28Å; L345-R347 PolarHBondContact O-N 3.36Å; L345-E348 PolarHBondContact O-N 3.37Å; L345-M349 HydrophobicContact CD1-CG 4.28Å; L345-M349 HydrophobicContact CD1-SD 4.01Å; L345-M349 HydrophobicContact CG-SD 4.18Å; L345-M349 VanDerWaalsContact O-CG 3.28Å; L345-M349 WeakPolarHBondContact O-CG 3.31Å; L345-M349 PolarHBondContact O-N 3.11Å; L345-F378 HydrophobicContact CB-CE2 4.32Å; L345-F378 HydrophobicContact CB-CZ 4.23Å; L345-F378 HydrophobicContact CD1-CZ 4.47Å; L345-F378 HydrophobicContact CD2-CE1 4.45Å; L345-F378 HydrophobicContact CD2-CE2 4.29Å; L345-F378 HydrophobicContact CD2-CZ 3.99Å; L345-F378 HydrophobicContact CG-CZ 4.47Å; L345-Q382 HydrophobicContact CD1-CG 4.43Å; L345-Q382 HydrophobicContact CD2-CB 3.99Å; L345-L385 HydrophobicContact CD2-CD1 3.88Å; L345-L385 HydrophobicContact CG-CD1 4.19Å
346M88.8Confident87.2Confident13 Ų1363.2 Ų63.26%0.06432%0.321CS..Hα-helixtrans-60.7-37.4177.3-68.2170.275.700112.2I342 S344 L351 S358 L360 L385 L399I342-M346 HydrophobicContact CG2-SD 4.05Å; I342-M346 WeakPolarHBondContact O-CG 3.5Å; I342-M346 PolarHBondContact O-N 3.43Å; S344-M346 PolarHBondContact O-N 3.49Å; M346-L351 HydrophobicContact CB-CD1 3.99Å; M346-L351 HydrophobicContact CE-CD1 4.33Å; M346-L351 HydrophobicContact CG-CD1 4.15Å; M346-S358 WeakPolarHBondContact CE-OG 3.35Å; M346-L360 HydrophobicContact CE-CB 4.49Å; M346-L360 HydrophobicContact SD-CB 4.25Å; M346-L360 HydrophobicContact SD-CD2 4.42Å; M346-L385 HydrophobicContact CG-CD1 3.85Å; M346-L399 HydrophobicContact SD-CD1 4.48Å
347R87Confident87.4Confident179 Ų17965.4 Ų65.468%0.67534%0.337SS*.Hα-helixtrans-69.9-44.6174.8-72.7179.5-70.6167.90.3112.5R343 S344 L345 M349 E350R343-R347 WeakPolarHBondContact O-CG 3.33Å; R343-R347 PolarHBondContact O-N 3.06Å; R343-R347 PolarHBondContact O-NE 3.02Å; R343-R347 VanDerWaalsContact O-NE 3.17Å; S344-R347 WeakPolarHBondContact O-CB 3.32Å; S344-R347 PolarHBondContact O-N 3.05Å; S344-R347 VanDerWaalsContact O-N 3.14Å; L345-R347 VanDerWaalsContact C-N 3.28Å; L345-R347 PolarHBondContact O-N 3.36Å; R347-M349 PolarHBondContact O-N 3.34Å; R347-E350 PolarHBondContact O-N 3.32Å
348E84.4Confident87.5Confident112 Ų11264.5 Ų64.552%0.52333%0.333SS..Hα-helixtrans-63.5-27.9178.5-75.4171.1-14500112.9Q332 S344 L345 E350Q332-E348 VanDerWaalsContact NE2-CD 3.31Å; Q332-E348 PolarHBondContact NE2-OE1 3.3Å; Q332-E348 PolarHBondContact NE2-OE2 3.03Å; Q332-E348 VanDerWaalsContact NE2-OE2 3.08Å; S344-E348 WeakPolarHBondContact O-CG 3.46Å; S344-E348 PolarHBondContact O-N 3.17Å; S344-E348 PolarHBondContact OG-OE1 3.23Å; S344-E348 VanDerWaalsContact OG-OE1 3.04Å; L345-E348 PolarHBondContact O-N 3.37Å; E348-E350 PolarHBondContact O-N 2.99Å
349M84.2Confident87.6Confident28 Ų2868.6 Ų68.614%0.13835%0.352CS..THydrogen-bonded Turntrans-79.3-5.1175.2-68.5-175.170.900113.5L345 R347 L351 R354 L385 V389L345-M349 HydrophobicContact CD1-CG 4.28Å; L345-M349 HydrophobicContact CD1-SD 4.01Å; L345-M349 HydrophobicContact CG-SD 4.18Å; L345-M349 VanDerWaalsContact O-CG 3.28Å; L345-M349 WeakPolarHBondContact O-CG 3.31Å; L345-M349 PolarHBondContact O-N 3.11Å; R347-M349 PolarHBondContact O-N 3.34Å; M349-L351 VanDerWaalsContact C-N 3.26Å; M349-L351 HydrophobicContact CB-CD2 4.17Å; M349-L351 HydrophobicContact CB-CG 4.24Å; M349-L351 PolarHBondContact O-N 3.42Å; M349-R354 PolarHBondContact O-NE 2.96Å; M349-R354 VanDerWaalsContact O-NE 3.12Å; M349-L385 HydrophobicContact CE-CB 3.92Å; M349-L385 WeakPolarHBondContact CE-O 2.96Å; M349-L385 HydrophobicContact SD-CB 3.65Å; M349-L385 HydrophobicContact SD-CD1 4.31Å; M349-V389 HydrophobicContact CE-CB 3.97Å; M349-V389 HydrophobicContact CE-CG1 4.47Å; M349-V389 HydrophobicContact CE-CG2 3.63Å
350E84.3Confident87.6Confident133 Ų13366.5 Ų66.562%0.62134%0.342SS*.THydrogen-bonded Turntrans52.642.4178.7-60.6178.3162.100112.3R347 E348 E352 G353 R354R347-E350 PolarHBondContact O-N 3.32Å; E348-E350 PolarHBondContact O-N 2.99Å; E350-E352 VanDerWaalsContact C-N 3.27Å; E350-E352 PolarHBondContact O-N 3.06Å; E350-G353 WeakPolarHBondContact O-CA 3.21Å; E350-G353 PolarHBondContact O-N 2.71Å; E350-R354 WeakPolarHBondContact O-CG 3.31Å; E350-R354 PolarHBondContact O-N 3.37Å; E350-R354 VanDerWaalsContact O-N 3.09Å
351L82.8Confident87.8Confident3 Ų365.4 Ų65.42%0.01634%0.337CS..THydrogen-bonded Turntrans-54.2-44.3-176.2-64.8178.5000111.9M346 M349 G353 R354 G355 I356 L385 V389M346-L351 HydrophobicContact CB-CD1 3.99Å; M346-L351 HydrophobicContact CE-CD1 4.33Å; M346-L351 HydrophobicContact CG-CD1 4.15Å; M349-L351 VanDerWaalsContact C-N 3.26Å; M349-L351 HydrophobicContact CB-CD2 4.17Å; M349-L351 HydrophobicContact CB-CG 4.24Å; M349-L351 PolarHBondContact O-N 3.42Å; L351-G353 PolarHBondContact O-N 3.2Å; L351-R354 CarbonylContact O-C 3.38Å; L351-R354 WeakPolarHBondContact O-CB 3.33Å; L351-R354 PolarHBondContact O-N 3.15Å; L351-R354 VanDerWaalsContact O-N 3.09Å; L351-G355 PolarHBondContact O-N 2.91Å; L351-I356 CarbonylContact C-O 3.56Å; L351-I356 HydrophobicContact CB-CB 4.21Å; L351-I356 HydrophobicContact CD2-CD1 4.1Å; L351-I356 PolarHBondContact O-N 3.43Å; L351-L385 HydrophobicContact CD1-CD2 4.48Å; L351-V389 HydrophobicContact CD2-CG2 3.51Å
352E81.5Confident87.9Confident165 Ų16566.9 Ų66.977%0.77134%0.343SS*.G310 helixtrans-63.2-40.2176.6-66.3178.1-177.700112.4E350 R354 G355E350-E352 VanDerWaalsContact C-N 3.27Å; E350-E352 PolarHBondContact O-N 3.06Å; E352-R354 PolarHBondContact O-N 3.24Å; E352-G355 PolarHBondContact O-N 2.91Å
353G82.3Confident87.9Confident75 Ų7576 Ų7677%0.77338%0.377SS*.G310 helixtrans-65.1-20.6175.600000113.4E350 L351E350-G353 WeakPolarHBondContact O-CA 3.21Å; E350-G353 PolarHBondContact O-N 2.71Å; L351-G353 PolarHBondContact O-N 3.2Å
354R84.6Confident87.7Confident147 Ų14771.7 Ų71.756%0.55536%0.362SS*.G310 helixtrans-93.6-0.5173.7-61.6174.4-170.9-113.4-3.4113.3M349 E350 L351 E352 I356 V389M349-R354 PolarHBondContact O-NE 2.96Å; M349-R354 VanDerWaalsContact O-NE 3.12Å; E350-R354 WeakPolarHBondContact O-CG 3.31Å; E350-R354 PolarHBondContact O-N 3.37Å; E350-R354 VanDerWaalsContact O-N 3.09Å; L351-R354 CarbonylContact O-C 3.38Å; L351-R354 WeakPolarHBondContact O-CB 3.33Å; L351-R354 PolarHBondContact O-N 3.15Å; L351-R354 VanDerWaalsContact O-N 3.09Å; E352-R354 PolarHBondContact O-N 3.24Å; R354-I356 HydrophobicContact CB-CD1 4.35Å; R354-I356 HydrophobicContact CB-CG1 4.28Å; R354-V389 VanDerWaalsContact CZ-CG1 3.44Å
355G85.3Confident87.5Confident55 Ų5575 Ų7557%0.56738%0.378SS*.THydrogen-bonded Turntrans79.617.1-177.400000114.9L351 E352L351-G355 PolarHBondContact O-N 2.91Å; E352-G355 PolarHBondContact O-N 2.91Å
356I88.5Confident87.3Confident12 Ų1276.6 Ų76.66%0.06239%0.385CS..  trans-95116.3179.1-54.5176.8000109.3L351 R354 S358 V389 A394 S395 V397L351-I356 CarbonylContact C-O 3.56Å; L351-I356 HydrophobicContact CB-CB 4.21Å; L351-I356 HydrophobicContact CD2-CD1 4.1Å; L351-I356 PolarHBondContact O-N 3.43Å; R354-I356 HydrophobicContact CB-CD1 4.35Å; R354-I356 HydrophobicContact CB-CG1 4.28Å; I356-S358 PolarHBondContact O-N 3.38Å; I356-V389 HydrophobicContact CD1-CG2 4.21Å; I356-A394 WeakPolarHBondContact CG1-O 3.49Å; I356-S395 CarbonylContact C-O 3.59Å; I356-S395 WeakPolarHBondContact CA-O 3.32Å; I356-V397 HydrophobicContact CG2-CB 4.39Å; I356-V397 HydrophobicContact CG2-CG2 3.84Å
357V90Very high86.9Confident107 Ų10780.9 Ų80.965%0.64842%0.416SS*.EExtended strand (participates in β ladder)trans-74.8124.2173.3-178.70000109S395 A396 V397V357-S395 PolarHBondContact N-O 3.45Å; V357-A396 CarbonylContact O-C 3.54Å; V357-A396 VanDerWaalsContact O-CA 3.26Å; V357-A396 WeakPolarHBondContact O-CA 3.46Å; V357-V397 PolarHBondContact O-N 2.85Å
358S90.7Very high86.5Confident40 Ų4073.3 Ų73.328%0.2839%0.392SS..EExtended strand (participates in β ladder)trans-118128.3-172.780.40000111.7M346 I356 V397M346-S358 WeakPolarHBondContact CE-OG 3.35Å; I356-S358 PolarHBondContact O-N 3.38Å; S358-V397 WeakPolarHBondContact CA-O 3.42Å
359H92.3Very high86.6Confident86 Ų8669 Ų6940%0.39837%0.372SS..EExtended strand (participates in β ladder)trans-122.7132.5179.2-171.244.8000110.6E361 V397 L399H359-E361 IonicContact CD2-OE1 3.35Å; H359-E361 IonicContact CE1-OE1 2.64Å; H359-E361 WeakPolarHBondContact NE2-CG 3.36Å; H359-E361 IonicContact NE2-OE1 3.1Å; H359-E361 PolarHBondContact NE2-OE1 3.06Å; H359-V397 PolarHBondContact N-O 3.42Å; H359-L399 PolarHBondContact O-N 2.85Å
360L93.6Very high86.6Confident15 Ų1568.7 Ų68.78%0.07937%0.373CS..EExtended strand (participates in β ladder)trans-127.6114179.517766.7000109.9E339 I342 R343 M346 W362 L399E339-L360 HydrophobicContact CG-CD2 4.23Å; I342-L360 HydrophobicContact CG2-CD1 4.05Å; I342-L360 HydrophobicContact CG2-CD2 4.13Å; R343-L360 HydrophobicContact CG-CD2 3.36Å; M346-L360 HydrophobicContact CE-CB 4.49Å; M346-L360 HydrophobicContact SD-CB 4.25Å; M346-L360 HydrophobicContact SD-CD2 4.42Å; L360-W362 HydrophobicContact CD1-CE3 4.19Å; L360-L399 WeakPolarHBondContact CA-O 3.31Å; L360-L399 HydrophobicContact CD1-CB 3.78Å
361E93.5Very high86.6Confident70 Ų7066.2 Ų66.233%0.32736%0.361SS..EExtended strand (participates in β ladder)trans-109.1113.3171.5-56.8-175.116000109.2H359 L399 Q400 G401H359-E361 IonicContact CD2-OE1 3.35Å; H359-E361 IonicContact CE1-OE1 2.64Å; H359-E361 WeakPolarHBondContact NE2-CG 3.36Å; H359-E361 IonicContact NE2-OE1 3.1Å; H359-E361 PolarHBondContact NE2-OE1 3.06Å; E361-L399 PolarHBondContact N-O 2.85Å; E361-Q400 HydrophobicContact CB-CG 4.17Å; E361-Q400 HydrophobicContact CG-CG 4.49Å; E361-Q400 CarbonylContact O-C 3.55Å; E361-Q400 VanDerWaalsContact O-CA 3.32Å; E361-Q400 WeakPolarHBondContact O-CA 3.22Å; E361-Q400 PolarHBondContact OE2-NE2 2.95Å; E361-G401 PolarHBondContact O-N 2.89Å
362W93.4Very high86.6Confident30 Ų3067.5 Ų67.511%0.11437%0.368CS..EExtended strand (participates in β ladder)trans-122.5118.9-176.9-161-102.6000110.4L338 E339 I342 L360 I364 E366 L410L338-W362 HydrophobicContact CB-CZ2 4.17Å; L338-W362 HydrophobicContact CD2-CH2 3.71Å; L338-W362 HydrophobicContact CD2-CZ2 3.45Å; L338-W362 VanDerWaalsContact CD2-CZ2 3.45Å; L338-W362 HydrophobicContact CG-CH2 3.85Å; L338-W362 HydrophobicContact CG-CZ2 3.56Å; E339-W362 HydrophobicContact CB-CB 4.46Å; E339-W362 HydrophobicContact CB-CD2 4.4Å; E339-W362 HydrophobicContact CB-CG 3.93Å; E339-W362 HydrophobicContact CG-CB 3.76Å; E339-W362 HydrophobicContact CG-CD2 4.47Å; E339-W362 HydrophobicContact CG-CG 3.76Å; I342-W362 HydrophobicContact CD1-CE3 4.18Å; I342-W362 HydrophobicContact CD1-CH2 3.52Å; I342-W362 HydrophobicContact CD1-CZ2 4.29Å; I342-W362 HydrophobicContact CD1-CZ3 3.45Å; I342-W362 VanDerWaalsContact CD1-CZ3 3.45Å; L360-W362 HydrophobicContact CD1-CE3 4.19Å; W362-I364 HydrophobicContact CH2-CD1 3.87Å; W362-I364 HydrophobicContact CZ2-CB 4.21Å; W362-I364 HydrophobicContact CZ2-CD1 3.79Å; W362-I364 HydrophobicContact CZ2-CG1 4.4Å; W362-I364 HydrophobicContact CZ3-CD1 4.31Å; W362-E366 PolarHBondContact NE1-OE1 2.88Å; W362-E366 VanDerWaalsContact NE1-OE1 3.09Å; W362-L410 HydrophobicContact CH2-CD1 4.47Å; W362-L410 HydrophobicContact CZ3-CD1 3.88Å
363R90.9Very high87Confident193 Ų19359.8 Ų59.873%0.72833%0.332SS*.EExtended strand (participates in β ladder)trans-135.439.4-178.1-61.3-176.5-179.8169.83.2110.4G401 W402 Q403R363-G401 PolarHBondContact N-O 3.26Å; R363-W402 HydrophobicContact CB-CB 4.13Å; R363-Q403 PolarHBondContact O-N 2.81Å
364I87.2Confident87.3Confident13 Ų1359.1 Ų59.17%0.06731%0.307CS..  trans-106.9124.8177.5-61.4178.2000108W362 E366 L369 Q403 L408W362-I364 HydrophobicContact CH2-CD1 3.87Å; W362-I364 HydrophobicContact CZ2-CB 4.21Å; W362-I364 HydrophobicContact CZ2-CD1 3.79Å; W362-I364 HydrophobicContact CZ2-CG1 4.4Å; W362-I364 HydrophobicContact CZ3-CD1 4.31Å; I364-E366 PolarHBondContact O-N 3.09Å; I364-L369 HydrophobicContact CG2-CD1 3.96Å; I364-L369 HydrophobicContact CG2-CD2 4.26Å; I364-L369 HydrophobicContact CG2-CG 4.38Å; I364-Q403 HydrophobicContact CB-CG 4.41Å; I364-Q403 HydrophobicContact CG1-CG 4.36Å; I364-Q403 HydrophobicContact CG2-CG 4.17Å; I364-L408 HydrophobicContact CG2-CD2 4.2Å
365D84.5Confident87.4Confident89 Ų8952.7 Ų52.748%0.47628%0.284SS..  trans-72.9107.9166.1-176.3-3.1000108.9S367 Q403D365-S367 VanDerWaalsContact C-N 3.29Å; D365-S367 VanDerWaalsContact CG-OG 3.25Å; D365-S367 PolarHBondContact O-N 3.46Å; D365-S367 WeakPolarHBondContact OD1-CB 3.31Å; D365-S367 PolarHBondContact OD1-N 3.03Å; D365-S367 PolarHBondContact OD1-OG 3.02Å; D365-S367 PolarHBondContact OD2-OG 2.84Å; D365-Q403 PolarHBondContact O-NE2 3.34Å
366E82.9Confident87.6Confident43 Ų4350.2 Ų50.220%0.20126%0.257CS..G310 helixtrans-75.8-17.7-175.4-61.3-173-166.500113.5T337 L338 E339 W362 I364 A368 L369T337-E366 WeakPolarHBondContact CA-OE2 3.42Å; T337-E366 WeakPolarHBondContact CB-OE2 3.31Å; L338-E366 HydrophobicContact CB-CG 4.46Å; L338-E366 WeakPolarHBondContact CB-OE1 3.43Å; L338-E366 PolarHBondContact N-OE1 3.43Å; L338-E366 PolarHBondContact N-OE2 2.81Å; E339-E366 PolarHBondContact N-OE1 2.82Å; W362-E366 PolarHBondContact NE1-OE1 2.88Å; W362-E366 VanDerWaalsContact NE1-OE1 3.09Å; I364-E366 PolarHBondContact O-N 3.09Å; E366-A368 PolarHBondContact O-N 3.36Å; E366-L369 HydrophobicContact CB-CD1 4.25Å; E366-L369 HydrophobicContact CG-CD1 4.23Å; E366-L369 WeakPolarHBondContact O-CB 3.32Å; E366-L369 PolarHBondContact O-N 3.42Å; E366-L369 VanDerWaalsContact O-N 3.11Å
367S80.4Confident87.8Confident104 Ų10449.7 Ų49.773%0.72726%0.255SS*.G310 helixtrans-65-24.8-178.467.10000113D365D365-S367 VanDerWaalsContact C-N 3.29Å; D365-S367 VanDerWaalsContact CG-OG 3.25Å; D365-S367 PolarHBondContact O-N 3.46Å; D365-S367 WeakPolarHBondContact OD1-CB 3.31Å; D365-S367 PolarHBondContact OD1-N 3.03Å; D365-S367 PolarHBondContact OD1-OG 3.02Å; D365-S367 PolarHBondContact OD2-OG 2.84Å
368A80.1Confident87.8Confident19 Ų1944.6 Ų44.616%0.15722%0.224CC..G310 helixtrans-92.40.9178.300000113.7E366E366-A368 PolarHBondContact O-N 3.36Å
369L85.5Confident87.7Confident21 Ų2143.6 Ų43.611%0.1121%0.214CC..  trans-86.7131.2-177.7-61.7-179.9000111.5L338 I364 E366 L377 L408L338-L369 HydrophobicContact CD2-CD1 4.17Å; I364-L369 HydrophobicContact CG2-CD1 3.96Å; I364-L369 HydrophobicContact CG2-CD2 4.26Å; I364-L369 HydrophobicContact CG2-CG 4.38Å; E366-L369 HydrophobicContact CB-CD1 4.25Å; E366-L369 HydrophobicContact CG-CD1 4.23Å; E366-L369 WeakPolarHBondContact O-CB 3.32Å; E366-L369 PolarHBondContact O-N 3.42Å; E366-L369 VanDerWaalsContact O-N 3.11Å; L369-L377 HydrophobicContact CD1-CD1 4.38Å; L369-L408 HydrophobicContact CD2-CD1 3.24Å; L369-L408 HydrophobicContact CD2-CD2 3.8Å; L369-L408 HydrophobicContact CD2-CG 4.15Å
370S85Confident87.7Confident23 Ų2339.5 Ų39.516%0.16120%0.195CC..  trans-66.2154.716463.40000111.6N372 Q373 R374S370-N372 PolarHBondContact O-N 3.11Å; S370-Q373 PolarHBondContact O-N 3.49Å; S370-Q373 VanDerWaalsContact O-N 3.1Å; S370-Q373 WeakPolarHBondContact OG-CB 3.33Å; S370-Q373 VanDerWaalsContact OG-CD 3.25Å; S370-Q373 VanDerWaalsContact OG-CG 3.25Å; S370-Q373 WeakPolarHBondContact OG-CG 3.38Å; S370-Q373 PolarHBondContact OG-N 2.87Å; S370-Q373 PolarHBondContact OG-OE1 3.21Å; S370-R374 PolarHBondContact O-N 2.93Å
371E83.6Confident87.7Confident80 Ų8038.8 Ų38.837%0.37419%0.191SC..Hα-helixtrans-51.9-44.9175-171.860.6-15000111.9Q373 R374 V375E371-Q373 VanDerWaalsContact C-N 3.34Å; E371-Q373 PolarHBondContact O-N 2.92Å; E371-R374 WeakPolarHBondContact O-CB 3.33Å; E371-R374 PolarHBondContact O-N 3.39Å; E371-R374 IonicContact OE1-CZ 3.63Å; E371-R374 IonicContact OE1-NE 3.26Å; E371-R374 IonicContact OE1-NH2 3.35Å; E371-R374 PolarHBondContact OE1-NH2 3.23Å; E371-R374 IonicContact OE2-CZ 2.79Å; E371-R374 VanDerWaalsContact OE2-CZ 3.23Å; E371-R374 IonicContact OE2-NE 3.81Å; E371-R374 IonicContact OE2-NH2 2.67Å; E371-R374 PolarHBondContact OE2-NH2 2.95Å; E371-V375 HydrophobicContact CG-CG2 4.49Å; E371-V375 WeakPolarHBondContact O-CG2 3.12Å; E371-V375 PolarHBondContact O-N 3.34Å
372N83.9Confident87.5Confident30 Ų3036.9 Ų36.916%0.1618%0.183CC..Hα-helixtrans-63.7-38.7-178.8-66-20.3000112.2E262 S370 T376 L440E262-N372 WeakPolarHBondContact CG-ND2 3.34Å; E262-N372 PolarHBondContact OE1-ND2 2.89Å; S370-N372 PolarHBondContact O-N 3.11Å; N372-T376 VanDerWaalsContact O-CB 3.22Å; N372-T376 WeakPolarHBondContact O-CB 3.32Å; N372-T376 PolarHBondContact O-N 3.33Å; N372-T376 PolarHBondContact O-OG1 2.91Å; N372-L440 HydrophobicContact CB-CD2 4.03Å
373Q89.2Confident87.3Confident3 Ų338 Ų381%0.01419%0.189CC..Hα-helixtrans-66-44174.4-76164.5-36.100110.7S370 E371 T376 L377 L408 L440 P459S370-Q373 PolarHBondContact O-N 3.49Å; S370-Q373 VanDerWaalsContact O-N 3.1Å; S370-Q373 WeakPolarHBondContact OG-CB 3.33Å; S370-Q373 VanDerWaalsContact OG-CD 3.25Å; S370-Q373 VanDerWaalsContact OG-CG 3.25Å; S370-Q373 WeakPolarHBondContact OG-CG 3.38Å; S370-Q373 PolarHBondContact OG-N 2.87Å; S370-Q373 PolarHBondContact OG-OE1 3.21Å; E371-Q373 VanDerWaalsContact C-N 3.34Å; E371-Q373 PolarHBondContact O-N 2.92Å; Q373-T376 PolarHBondContact O-N 3.28Å; Q373-L377 WeakPolarHBondContact O-CB 3.35Å; Q373-L377 VanDerWaalsContact O-CG 3.28Å; Q373-L377 WeakPolarHBondContact O-CG 3.3Å; Q373-L377 PolarHBondContact O-N 2.96Å; Q373-L408 HydrophobicContact CG-CD1 4.5Å; Q373-L440 HydrophobicContact CG-CD1 4.14Å; Q373-P459 PolarHBondContact NE2-O 3.17Å
374R88.7Confident87.2Confident62 Ų6229 Ų2923%0.23416%0.156CC..Hα-helixtrans-59.5-49.7178.9-175.1173.566.3-179.89111.8L333 L338 S370 E371 F378L333-R374 HydrophobicContact CD1-CG 4.38Å; L333-R374 HydrophobicContact CD2-CG 3.9Å; L333-R374 PolarHBondContact O-NH2 2.63Å; L338-R374 HydrophobicContact CB-CG 4.12Å; L338-R374 HydrophobicContact CD1-CG 4.26Å; L338-R374 HydrophobicContact CD2-CG 4.24Å; L338-R374 HydrophobicContact CG-CG 4.44Å; S370-R374 PolarHBondContact O-N 2.93Å; E371-R374 WeakPolarHBondContact O-CB 3.33Å; E371-R374 PolarHBondContact O-N 3.39Å; E371-R374 IonicContact OE1-CZ 3.63Å; E371-R374 IonicContact OE1-NE 3.26Å; E371-R374 IonicContact OE1-NH2 3.35Å; E371-R374 PolarHBondContact OE1-NH2 3.23Å; E371-R374 IonicContact OE2-CZ 2.79Å; E371-R374 VanDerWaalsContact OE2-CZ 3.23Å; E371-R374 IonicContact OE2-NE 3.81Å; E371-R374 IonicContact OE2-NH2 2.67Å; E371-R374 PolarHBondContact OE2-NH2 2.95Å; R374-F378 WeakPolarHBondContact O-CB 3.29Å; R374-F378 PolarHBondContact O-N 3.38Å
375V87.3Confident87.4Confident12 Ų1228.4 Ų28.47%0.07315%0.154CC..Hα-helixtrans-61.8-46.5176.1174.70000110.7E265 L333 E371 L377 F378 R379E265-V375 HydrophobicContact CG-CG1 4.1Å; L333-V375 HydrophobicContact CD1-CB 4.42Å; L333-V375 HydrophobicContact CD1-CG2 3.96Å; E371-V375 HydrophobicContact CG-CG2 4.49Å; E371-V375 WeakPolarHBondContact O-CG2 3.12Å; E371-V375 PolarHBondContact O-N 3.34Å; V375-L377 PolarHBondContact O-N 3.44Å; V375-F378 PolarHBondContact O-N 2.88Å; V375-R379 HydrophobicContact CG1-CG 4.07Å; V375-R379 WeakPolarHBondContact O-CB 3.45Å; V375-R379 WeakPolarHBondContact O-CG 3.44Å; V375-R379 PolarHBondContact O-N 3.49Å
376T89.2Confident87.5Confident3 Ų326 Ų262%0.01814%0.14CC..Hα-helixtrans-61.8-46.3-178.5-62.90000111.9N372 Q373 F378 R379 V380 R436 V437 L440N372-T376 VanDerWaalsContact O-CB 3.22Å; N372-T376 WeakPolarHBondContact O-CB 3.32Å; N372-T376 PolarHBondContact O-N 3.33Å; N372-T376 PolarHBondContact O-OG1 2.91Å; Q373-T376 PolarHBondContact O-N 3.28Å; T376-F378 PolarHBondContact O-N 2.96Å; T376-R379 PolarHBondContact O-N 3.22Å; T376-V380 WeakPolarHBondContact O-CG2 3.35Å; T376-V380 PolarHBondContact O-N 3.03Å; T376-R436 HydrophobicContact CG2-CB 3.93Å; T376-V437 HydrophobicContact CG2-CG2 4.19Å; T376-L440 HydrophobicContact CG2-CD1 4.03Å; T376-L440 WeakPolarHBondContact OG1-CD1 3.18Å
377L92.1Very high87.7Confident1 Ų125.9 Ų25.91%0.00514%0.141CC..Hα-helixtrans-60.1-46.7176.5-71.9171.7000111.1L338 L369 Q373 V375 R379 V380 C381 L410 L458L338-L377 HydrophobicContact CD2-CB 3.79Å; L338-L377 HydrophobicContact CD2-CD1 3.75Å; L338-L377 HydrophobicContact CD2-CG 4.44Å; L369-L377 HydrophobicContact CD1-CD1 4.38Å; Q373-L377 WeakPolarHBondContact O-CB 3.35Å; Q373-L377 VanDerWaalsContact O-CG 3.28Å; Q373-L377 WeakPolarHBondContact O-CG 3.3Å; Q373-L377 PolarHBondContact O-N 2.96Å; V375-L377 PolarHBondContact O-N 3.44Å; L377-R379 VanDerWaalsContact C-N 3.34Å; L377-R379 PolarHBondContact O-N 3Å; L377-V380 PolarHBondContact O-N 3.41Å; L377-C381 PolarHBondContact O-N 2.67Å; L377-C381 PolarHBondContact O-SG 2.64Å; L377-L410 HydrophobicContact CD2-CB 3.87Å; L377-L410 HydrophobicContact CD2-CD2 3.73Å; L377-L410 HydrophobicContact CD2-CG 4.35Å; L377-L458 HydrophobicContact CD2-CD1 3.85Å; L377-L458 HydrophobicContact CG-CD1 4.06Å
378F90.7Very high88.1Confident0 Ų021.3 Ų21.30%011%0.109CC..Hα-helixtrans-59.7-44176.2-175.7-82.7000112.1P330 L333 L338 A341 I342 L345 R374 V375 T376 V380 C381 Q382P330-F378 HydrophobicContact CB-CD1 3.48Å; P330-F378 VanDerWaalsContact CB-CD1 3.48Å; P330-F378 HydrophobicContact CB-CE1 3.12Å; P330-F378 HydrophobicContact CB-CE2 4.3Å; P330-F378 HydrophobicContact CB-CG 4.24Å; P330-F378 HydrophobicContact CB-CZ 3.56Å; P330-F378 HydrophobicContact CG-CD1 3.38Å; P330-F378 HydrophobicContact CG-CE1 3.55Å; P330-F378 HydrophobicContact CG-CG 4.18Å; P330-F378 HydrophobicContact CG-CZ 4.41Å; L333-F378 HydrophobicContact CD1-CB 3.77Å; L333-F378 HydrophobicContact CD1-CD2 4.49Å; L333-F378 HydrophobicContact CD1-CG 4Å; L333-F378 HydrophobicContact CD2-CB 4.14Å; L333-F378 HydrophobicContact CD2-CD2 3.88Å; L333-F378 HydrophobicContact CD2-CG 4.17Å; L333-F378 HydrophobicContact CG-CB 4.33Å; L333-F378 HydrophobicContact CG-CD2 4.19Å; L333-F378 HydrophobicContact CG-CG 4.18Å; L338-F378 HydrophobicContact CD1-CB 3.75Å; L338-F378 HydrophobicContact CD1-CD2 4.2Å; L338-F378 HydrophobicContact CD1-CG 4.49Å; A341-F378 HydrophobicContact CB-CD2 3.91Å; A341-F378 HydrophobicContact CB-CE2 3.78Å; I342-F378 HydrophobicContact CG1-CD2 4.31Å; L345-F378 HydrophobicContact CB-CE2 4.32Å; L345-F378 HydrophobicContact CB-CZ 4.23Å; L345-F378 HydrophobicContact CD1-CZ 4.47Å; L345-F378 HydrophobicContact CD2-CE1 4.45Å; L345-F378 HydrophobicContact CD2-CE2 4.29Å; L345-F378 HydrophobicContact CD2-CZ 3.99Å; L345-F378 HydrophobicContact CG-CZ 4.47Å; R374-F378 WeakPolarHBondContact O-CB 3.29Å; R374-F378 PolarHBondContact O-N 3.38Å; V375-F378 PolarHBondContact O-N 2.88Å; T376-F378 PolarHBondContact O-N 2.96Å; F378-V380 VanDerWaalsContact C-N 3.34Å; F378-V380 PolarHBondContact O-N 3.49Å; F378-C381 WeakPolarHBondContact O-CB 3.35Å; F378-C381 PolarHBondContact O-N 3.49Å; F378-Q382 HydrophobicContact CD1-CB 4.39Å; F378-Q382 HydrophobicContact CE1-CB 4.09Å; F378-Q382 WeakPolarHBondContact O-CB 3.36Å; F378-Q382 PolarHBondContact O-N 2.91Å
379R88.9Confident88.4Confident18 Ų1821.7 Ų21.77%0.06811%0.109CC..Hα-helixtrans-63.4-39.2179-70.1-69.5-169.4172.16112.1E265 R327 L328 V375 T376 L377 Q382 E383E265-R379 IonicContact OE1-NH2 3.81Å; E265-R379 IonicContact OE2-NE 3.88Å; E265-R379 IonicContact OE2-NH2 2.97Å; E265-R379 PolarHBondContact OE2-NH2 3.22Å; E265-R379 VanDerWaalsContact OE2-NH2 3.17Å; R327-R379 PolarHBondContact O-NH1 3.35Å; L328-R379 PolarHBondContact O-NH2 3.46Å; V375-R379 HydrophobicContact CG1-CG 4.07Å; V375-R379 WeakPolarHBondContact O-CB 3.45Å; V375-R379 WeakPolarHBondContact O-CG 3.44Å; V375-R379 PolarHBondContact O-N 3.49Å; T376-R379 PolarHBondContact O-N 3.22Å; L377-R379 VanDerWaalsContact C-N 3.34Å; L377-R379 PolarHBondContact O-N 3Å; R379-Q382 PolarHBondContact O-N 3.42Å; R379-E383 WeakPolarHBondContact O-CB 3.45Å; R379-E383 PolarHBondContact O-N 3.32Å
380V92.1Very high88.4Confident1 Ų126 Ų261%0.00613%0.127CC..Hα-helixtrans-62.6-45.7174170.60000110.2T376 L377 F378 Q382 G384 L410 I412 M433 V437 V456T376-V380 WeakPolarHBondContact O-CG2 3.35Å; T376-V380 PolarHBondContact O-N 3.03Å; L377-V380 PolarHBondContact O-N 3.41Å; F378-V380 VanDerWaalsContact C-N 3.34Å; F378-V380 PolarHBondContact O-N 3.49Å; V380-Q382 PolarHBondContact O-N 3.21Å; V380-G384 PolarHBondContact O-N 3.23Å; V380-L410 HydrophobicContact CB-CD2 4.12Å; V380-L410 HydrophobicContact CG1-CD2 3.78Å; V380-I412 HydrophobicContact CG1-CD1 3.97Å; V380-M433 HydrophobicContact CB-SD 4.34Å; V380-M433 HydrophobicContact CG1-SD 4.07Å; V380-M433 HydrophobicContact CG2-CB 4.44Å; V380-M433 HydrophobicContact CG2-CG 4.26Å; V380-M433 HydrophobicContact CG2-SD 4.4Å; V380-V437 HydrophobicContact CG2-CG2 4.04Å; V380-V456 HydrophobicContact CG1-CG2 3.94Å; V380-V456 HydrophobicContact CG2-CG2 4.5Å
381C92.5Very high88.3Confident0 Ų031 Ų310%015%0.147CC..Hα-helixtrans-60.2-45.4174.3-64.20000112.1I342 L377 F378 G384 L385 L399I342-C381 HydrophobicContact CD1-CB 4.49Å; I342-C381 HydrophobicContact CG1-CB 4.29Å; L377-C381 PolarHBondContact O-N 2.67Å; L377-C381 PolarHBondContact O-SG 2.64Å; F378-C381 WeakPolarHBondContact O-CB 3.35Å; F378-C381 PolarHBondContact O-N 3.49Å; C381-G384 PolarHBondContact O-N 3.16Å; C381-L385 VanDerWaalsContact O-CB 3.29Å; C381-L385 WeakPolarHBondContact O-CB 3.46Å; C381-L385 WeakPolarHBondContact O-CG 3.5Å; C381-L385 PolarHBondContact O-N 3.07Å; C381-L399 HydrophobicContact CB-CD1 4.48Å
382Q89.5Confident88.2Confident30 Ų3027.5 Ų27.514%0.1413%0.132CC..Hα-helixtrans-61-50.2179.2-177.1178.355.500112.3L345 F378 R379 V380 N386L345-Q382 HydrophobicContact CD1-CG 4.43Å; L345-Q382 HydrophobicContact CD2-CB 3.99Å; F378-Q382 HydrophobicContact CD1-CB 4.39Å; F378-Q382 HydrophobicContact CE1-CB 4.09Å; F378-Q382 WeakPolarHBondContact O-CB 3.36Å; F378-Q382 PolarHBondContact O-N 2.91Å; R379-Q382 PolarHBondContact O-N 3.42Å; V380-Q382 PolarHBondContact O-N 3.21Å; Q382-N386 WeakPolarHBondContact O-CB 3.46Å; Q382-N386 PolarHBondContact O-N 3.22Å
383E88.3Confident88.2Confident52 Ų5233.5 Ų33.524%0.24316%0.164CC..Hα-helixtrans-69.8-39.4-179.5-169.162.6-160.700111.2R379 N386 N387 G429 M433R379-E383 WeakPolarHBondContact O-CB 3.45Å; R379-E383 PolarHBondContact O-N 3.32Å; E383-N386 PolarHBondContact O-N 3.35Å; E383-N387 WeakPolarHBondContact O-CB 3.41Å; E383-N387 PolarHBondContact O-N 3.1Å; E383-N387 PolarHBondContact O-ND2 3.12Å; E383-N387 VanDerWaalsContact O-ND2 3.13Å; E383-G429 VanDerWaalsContact OE1-CA 3.25Å; E383-G429 WeakPolarHBondContact OE1-CA 3.29Å; E383-M433 HydrophobicContact CB-CE 4.29Å; E383-M433 HydrophobicContact CB-CG 3.97Å; E383-M433 HydrophobicContact CB-SD 3.78Å; E383-M433 HydrophobicContact CG-CE 3.91Å; E383-M433 HydrophobicContact CG-CG 4.03Å; E383-M433 HydrophobicContact CG-SD 4.02Å
384G90.5Very high88.1Confident5 Ų533.9 Ų33.95%0.05217%0.168CC..Hα-helixtrans-58.8-54.1174.300000112.3V380 C381 N386 N387 I388V380-G384 PolarHBondContact O-N 3.23Å; C381-G384 PolarHBondContact O-N 3.16Å; G384-N386 VanDerWaalsContact C-N 3.34Å; G384-N386 PolarHBondContact O-N 3.2Å; G384-N387 PolarHBondContact O-N 2.85Å; G384-I388 VanDerWaalsContact O-CG1 3.32Å; G384-I388 WeakPolarHBondContact O-CG1 3.36Å; G384-I388 PolarHBondContact O-N 2.98Å
385L90.1Very high88.2Confident1 Ų134.3 Ų34.31%0.00518%0.181CC..Hα-helixtrans-62.5-40178-69.3173000112.1L345 M346 M349 L351 C381 N387 I388 V389 V397 L399L345-L385 HydrophobicContact CD2-CD1 3.88Å; L345-L385 HydrophobicContact CG-CD1 4.19Å; M346-L385 HydrophobicContact CG-CD1 3.85Å; M349-L385 HydrophobicContact CE-CB 3.92Å; M349-L385 WeakPolarHBondContact CE-O 2.96Å; M349-L385 HydrophobicContact SD-CB 3.65Å; M349-L385 HydrophobicContact SD-CD1 4.31Å; L351-L385 HydrophobicContact CD1-CD2 4.48Å; C381-L385 VanDerWaalsContact O-CB 3.29Å; C381-L385 WeakPolarHBondContact O-CB 3.46Å; C381-L385 WeakPolarHBondContact O-CG 3.5Å; C381-L385 PolarHBondContact O-N 3.07Å; L385-N387 VanDerWaalsContact C-N 3.33Å; L385-N387 PolarHBondContact O-N 3.45Å; L385-I388 HydrophobicContact CD2-CD1 4.47Å; L385-I388 PolarHBondContact O-N 3.05Å; L385-V389 WeakPolarHBondContact O-CG2 3.48Å; L385-V389 PolarHBondContact O-N 3.32Å; L385-V397 HydrophobicContact CD2-CG1 3.8Å; L385-L399 HydrophobicContact CD1-CD1 4.14Å; L385-L399 HydrophobicContact CD2-CD1 4.22Å; L385-L399 HydrophobicContact CG-CD1 4.28Å
386N87.5Confident88.3Confident37 Ų3735.3 Ų35.320%0.19819%0.19CC..Hα-helixtrans-63.8-39.6177.5-178.941.4000111.7Q382 E383 G384 K390Q382-N386 WeakPolarHBondContact O-CB 3.46Å; Q382-N386 PolarHBondContact O-N 3.22Å; E383-N386 PolarHBondContact O-N 3.35Å; G384-N386 VanDerWaalsContact C-N 3.34Å; G384-N386 PolarHBondContact O-N 3.2Å; N386-K390 WeakPolarHBondContact O-CB 3.34Å; N386-K390 WeakPolarHBondContact O-CG 3.33Å; N386-K390 PolarHBondContact O-N 2.95Å; N386-K390 VanDerWaalsContact O-N 3.12Å; N386-K390 WeakPolarHBondContact OD1-CE 3.38Å; N386-K390 PolarHBondContact OD1-NZ 3.46Å
387N86.7Confident88.5Confident42 Ų4235.2 Ų35.223%0.22519%0.189CC..Hα-helixtrans-64.7-42.6174.2-73.1-27.8000111.4E383 G384 L385 K390 H391E383-N387 WeakPolarHBondContact O-CB 3.41Å; E383-N387 PolarHBondContact O-N 3.1Å; E383-N387 PolarHBondContact O-ND2 3.12Å; E383-N387 VanDerWaalsContact O-ND2 3.13Å; G384-N387 PolarHBondContact O-N 2.85Å; L385-N387 VanDerWaalsContact C-N 3.33Å; L385-N387 PolarHBondContact O-N 3.45Å; N387-K390 PolarHBondContact O-N 3.28Å; N387-H391 VanDerWaalsContact O-CB 3.32Å; N387-H391 WeakPolarHBondContact O-CB 3.38Å; N387-H391 PolarHBondContact O-N 2.99Å
388I88.2Confident88.5Confident7 Ų737.1 Ų37.14%0.03620%0.201CC..Iπ-helixtrans-59.3-52177.3-67.5161.1000110.6G384 L385 K390 H391 A392 A394 V397 I412 D414G384-I388 VanDerWaalsContact O-CG1 3.32Å; G384-I388 WeakPolarHBondContact O-CG1 3.36Å; G384-I388 PolarHBondContact O-N 2.98Å; L385-I388 HydrophobicContact CD2-CD1 4.47Å; L385-I388 PolarHBondContact O-N 3.05Å; I388-K390 PolarHBondContact O-N 3.41Å; I388-H391 PolarHBondContact O-N 3.42Å; I388-A392 HydrophobicContact CB-CB 4.3Å; I388-A392 HydrophobicContact CG2-CB 4.04Å; I388-A392 WeakPolarHBondContact O-CB 3.49Å; I388-A392 PolarHBondContact O-N 3.01Å; I388-A394 HydrophobicContact CG2-CB 3.78Å; I388-V397 HydrophobicContact CD1-CG1 4.09Å; I388-V397 HydrophobicContact CD1-CG2 3.89Å; I388-V397 HydrophobicContact CG2-CG2 3.65Å; I388-I412 HydrophobicContact CD1-CG2 3.96Å; I388-D414 HydrophobicContact CD1-CB 3.92Å; I388-D414 HydrophobicContact CG1-CB 3.87Å; I388-D414 HydrophobicContact CG2-CB 4.2Å
389V87.2Confident88.8Confident27 Ų2737.1 Ų37.116%0.16420%0.201CC..Iπ-helixtrans-65.1-27.1-176.71680000113.4M349 L351 R354 I356 L385M349-V389 HydrophobicContact CE-CB 3.97Å; M349-V389 HydrophobicContact CE-CG1 4.47Å; M349-V389 HydrophobicContact CE-CG2 3.63Å; L351-V389 HydrophobicContact CD2-CG2 3.51Å; R354-V389 VanDerWaalsContact CZ-CG1 3.44Å; I356-V389 HydrophobicContact CD1-CG2 4.21Å; L385-V389 WeakPolarHBondContact O-CG2 3.48Å; L385-V389 PolarHBondContact O-N 3.32Å
390K84.8Confident89.1Confident113 Ų11338.8 Ų38.849%0.49121%0.21SC..Iπ-helixtrans-94.5-27.8-178.8-74.3179.5176.3171.20114.6N386 N387 I388N386-K390 WeakPolarHBondContact O-CB 3.34Å; N386-K390 WeakPolarHBondContact O-CG 3.33Å; N386-K390 PolarHBondContact O-N 2.95Å; N386-K390 VanDerWaalsContact O-N 3.12Å; N386-K390 WeakPolarHBondContact OD1-CE 3.38Å; N386-K390 PolarHBondContact OD1-NZ 3.46Å; N387-K390 PolarHBondContact O-N 3.28Å; I388-K390 PolarHBondContact O-N 3.41Å
391H83.1Confident89.2Confident127 Ų12738.9 Ų38.959%0.58821%0.21SC*.Iπ-helixtrans-134.2-22.5-163-57.1-52.8000114.5N387 I388N387-H391 VanDerWaalsContact O-CB 3.32Å; N387-H391 WeakPolarHBondContact O-CB 3.38Å; N387-H391 PolarHBondContact O-N 2.99Å; I388-H391 PolarHBondContact O-N 3.42Å
392A82.7Confident89.3Confident6 Ų642.4 Ų42.45%0.0522%0.224CC..Iπ-helixtrans-86.6-25.4-170.500000113.9I388 A394 G416 S417I388-A392 HydrophobicContact CB-CB 4.3Å; I388-A392 HydrophobicContact CG2-CB 4.04Å; I388-A392 WeakPolarHBondContact O-CB 3.49Å; I388-A392 PolarHBondContact O-N 3.01Å; A392-A394 HydrophobicContact CB-CB 4.05Å; A392-A394 PolarHBondContact O-N 3.39Å; A392-G416 CarbonylContact O-C 3.6Å; A392-G416 VanDerWaalsContact O-CA 3.24Å; A392-G416 WeakPolarHBondContact O-CA 3.42Å; A392-S417 PolarHBondContact O-N 3.33Å; A392-S417 PolarHBondContact O-OG 2.95Å
393D83.8Confident89.4Confident156 Ų15643.7 Ų43.783%0.83423%0.23SC*.  trans47.639.2-166.9-68.6-30000111.9
394A87.1Confident89.3Confident12 Ų1246.2 Ų46.210%0.09924%0.242CC..  trans-74.8151.2-176.200000112I356 I388 A392 D414 D415I356-A394 WeakPolarHBondContact CG1-O 3.49Å; I388-A394 HydrophobicContact CG2-CB 3.78Å; A392-A394 HydrophobicContact CB-CB 4.05Å; A392-A394 PolarHBondContact O-N 3.39Å; A394-D414 HydrophobicContact CB-CB 3.96Å; A394-D415 WeakPolarHBondContact CA-OD1 3.36Å; A394-D415 WeakPolarHBondContact CB-OD1 3.44Å
395S89.5Confident88.9Confident71 Ų7152.8 Ų52.850%0.49728%0.276SS..SBendtrans-102.4-21.9174.188.20000112.6I356 V357 D415I356-S395 CarbonylContact C-O 3.59Å; I356-S395 WeakPolarHBondContact CA-O 3.32Å; V357-S395 PolarHBondContact N-O 3.45Å; S395-D415 PolarHBondContact N-OD1 3.16Å; S395-D415 PolarHBondContact OG-OD2 3.11Å
396A90.1Very high88.7Confident33 Ų3359.6 Ų59.627%0.27331%0.308SS..EExtended strand (participates in β ladder)trans-141.4144.217900000112V357 D415V357-A396 CarbonylContact O-C 3.54Å; V357-A396 VanDerWaalsContact O-CA 3.26Å; V357-A396 WeakPolarHBondContact O-CA 3.46Å; A396-D415 PolarHBondContact N-OD1 3.25Å; A396-D415 PolarHBondContact N-OD2 3.45Å; A396-D415 PolarHBondContact O-N 2.97Å; A396-D415 VanDerWaalsContact O-OD1 3.11Å
397V92.6Very high88.8Confident1 Ų164.7 Ų64.71%0.00632%0.324CS..EExtended strand (participates in β ladder)trans-131.2130.9174.1172.60000109.9I356 V357 S358 H359 L385 I388 E413 D414I356-V397 HydrophobicContact CG2-CB 4.39Å; I356-V397 HydrophobicContact CG2-CG2 3.84Å; V357-V397 PolarHBondContact O-N 2.85Å; S358-V397 WeakPolarHBondContact CA-O 3.42Å; H359-V397 PolarHBondContact N-O 3.42Å; L385-V397 HydrophobicContact CD2-CG1 3.8Å; I388-V397 HydrophobicContact CD1-CG1 4.09Å; I388-V397 HydrophobicContact CD1-CG2 3.89Å; I388-V397 HydrophobicContact CG2-CG2 3.65Å; V397-E413 CarbonylContact C-O 3.54Å; V397-E413 WeakPolarHBondContact CA-O 3.41Å; V397-D414 HydrophobicContact CG2-CB 4.34Å
398T93.7Very high89.1Confident41 Ų4162.7 Ų62.725%0.25231%0.313SS..EExtended strand (participates in β ladder)trans-118.8126175.1-58.80000110.2Q400 E413T398-Q400 HydrophobicContact CG2-CG 3.92Å; T398-E413 PolarHBondContact N-O 2.9Å; T398-E413 PolarHBondContact O-N 3.46Å
399L95.2Very high89.4Confident0 Ų064.2 Ų64.20%032%0.321CS..EExtended strand (participates in β ladder)trans-118.1118.4178.4-121.8163.7000108.5I342 M346 H359 L360 E361 C381 L385 L410 V411 I412I342-L399 HydrophobicContact CG2-CD1 4.08Å; M346-L399 HydrophobicContact SD-CD1 4.48Å; H359-L399 PolarHBondContact O-N 2.85Å; L360-L399 WeakPolarHBondContact CA-O 3.31Å; L360-L399 HydrophobicContact CD1-CB 3.78Å; E361-L399 PolarHBondContact N-O 2.85Å; C381-L399 HydrophobicContact CB-CD1 4.48Å; L385-L399 HydrophobicContact CD1-CD1 4.14Å; L385-L399 HydrophobicContact CD2-CD1 4.22Å; L385-L399 HydrophobicContact CG-CD1 4.28Å; L399-L410 HydrophobicContact CD2-CD1 3.65Å; L399-V411 WeakPolarHBondContact CA-O 3.42Å; L399-I412 HydrophobicContact CD2-CD1 4.34Å; L399-I412 HydrophobicContact CD2-CG1 3.72Å; L399-I412 HydrophobicContact CG-CG1 4.05Å; L399-I412 HydrophobicContact CG-CG2 4.39Å
400Q95.6Very high89.7Confident53 Ų5363 Ų6325%0.24831%0.313CS..EExtended strand (participates in β ladder)trans-123122.1-178.1-63.8-177.9-3200110.3E361 T398 W402 L410 V411E361-Q400 HydrophobicContact CB-CG 4.17Å; E361-Q400 HydrophobicContact CG-CG 4.49Å; E361-Q400 CarbonylContact O-C 3.55Å; E361-Q400 VanDerWaalsContact O-CA 3.32Å; E361-Q400 WeakPolarHBondContact O-CA 3.22Å; E361-Q400 PolarHBondContact OE2-NE2 2.95Å; T398-Q400 HydrophobicContact CG2-CG 3.92Å; Q400-W402 HydrophobicContact CB-CE3 4.08Å; Q400-W402 HydrophobicContact CB-CZ3 3.88Å; Q400-L410 CarbonylContact O-C 3.43Å; Q400-L410 WeakPolarHBondContact O-CA 3.43Å; Q400-V411 HydrophobicContact CB-CB 4.47Å; Q400-V411 PolarHBondContact N-O 3.26Å; Q400-V411 PolarHBondContact O-N 3.45Å
401G95.1Very high90.2Very high2 Ų258.1 Ų58.12%0.02129%0.293CS..EExtended strand (participates in β ladder)trans-117.8127.6170.400000109.8E361 R363 M409E361-G401 PolarHBondContact O-N 2.89Å; R363-G401 PolarHBondContact N-O 3.26Å; G401-M409 CarbonylContact C-O 3.6Å; G401-M409 WeakPolarHBondContact CA-O 3.25Å
402W94.4Very high90.7Very high74 Ų7452.2 Ų52.228%0.2827%0.266SS..EExtended strand (participates in β ladder)trans-147.1159.917371.197.3000111.7R363 Q400 M409 V411R363-W402 HydrophobicContact CB-CB 4.13Å; Q400-W402 HydrophobicContact CB-CE3 4.08Å; Q400-W402 HydrophobicContact CB-CZ3 3.88Å; W402-M409 HydrophobicContact CD2-CB 3.65Å; W402-M409 HydrophobicContact CD2-CG 4.46Å; W402-M409 HydrophobicContact CE3-CB 4.05Å; W402-M409 HydrophobicContact CG-CB 4.21Å; W402-M409 HydrophobicContact CH2-CB 3.96Å; W402-M409 HydrophobicContact CZ2-CB 3.53Å; W402-M409 HydrophobicContact CZ2-CE 4.42Å; W402-M409 HydrophobicContact CZ2-CG 3.93Å; W402-M409 HydrophobicContact CZ3-CB 4.19Å; W402-M409 PolarHBondContact N-O 2.93Å; W402-M409 PolarHBondContact O-N 2.85Å; W402-V411 HydrophobicContact CH2-CB 4.34Å; W402-V411 HydrophobicContact CH2-CG2 3.5Å; W402-V411 VanDerWaalsContact CH2-CG2 3.5Å; W402-V411 HydrophobicContact CZ3-CB 4.05Å; W402-V411 HydrophobicContact CZ3-CG2 3.67Å
403Q90.5Very high91.2Very high58 Ų5854.1 Ų54.127%0.27127%0.274SS..EExtended strand (participates in β ladder)trans-98.2136.5169.7-65.6-177.6-5.700109.9R363 I364 D365 L408R363-Q403 PolarHBondContact O-N 2.81Å; I364-Q403 HydrophobicContact CB-CG 4.41Å; I364-Q403 HydrophobicContact CG1-CG 4.36Å; I364-Q403 HydrophobicContact CG2-CG 4.17Å; D365-Q403 PolarHBondContact O-NE2 3.34Å; Q403-L408 HydrophobicContact CG-CD2 3.68Å
404Q86.5Confident91.6Very high105 Ų10547.5 Ų47.549%0.49124%0.238SC..EExtended strand (participates in β ladder)trans-137.1119.2173.2-177.7177.5-1.500108.7E406 R407Q404-E406 PolarHBondContact O-N 2.96Å; Q404-R407 PolarHBondContact N-O 2.92Å; Q404-R407 PolarHBondContact O-N 3.39Å
405D83.4Confident91.7Very high143 Ų14350.3 Ų50.377%0.76525%0.252SS*.THydrogen-bonded Turntrans51.3-125.8-175.1-51.6-45.3000110.8R407 Q460D405-R407 VanDerWaalsContact C-N 3.31Å; D405-R407 PolarHBondContact O-N 2.88Å; D405-Q460 PolarHBondContact O-OE1 2.98Å
406E85.1Confident91.5Very high144 Ų14447.6 Ų47.667%0.67324%0.235SC*.THydrogen-bonded Turntrans-93.229.3175.5-59.9-173.9163.600112.7Q404 Q460Q404-E406 PolarHBondContact O-N 2.96Å; E406-Q460 WeakPolarHBondContact O-CB 3.44Å; E406-Q460 PolarHBondContact O-N 3.47Å
407R89.8Confident91.2Very high143 Ų14350.5 Ų50.554%0.5425%0.253SS..EExtended strand (participates in β ladder)trans-133.3141.1-177.2-63.1-171.2178.4-155.62113.1Q404 D405 L458Q404-R407 PolarHBondContact N-O 2.92Å; Q404-R407 PolarHBondContact O-N 3.39Å; D405-R407 VanDerWaalsContact C-N 3.31Å; D405-R407 PolarHBondContact O-N 2.88Å; R407-L458 CarbonylContact C-O 3.6Å; R407-L458 WeakPolarHBondContact CA-O 3.47Å
408L92.3Very high90.6Very high1 Ų151.2 Ų51.21%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-92.7128.1169.4-50171.2000108.2I364 L369 Q373 Q403 S457 L458I364-L408 HydrophobicContact CG2-CD2 4.2Å; L369-L408 HydrophobicContact CD2-CD1 3.24Å; L369-L408 HydrophobicContact CD2-CD2 3.8Å; L369-L408 HydrophobicContact CD2-CG 4.15Å; Q373-L408 HydrophobicContact CG-CD1 4.5Å; Q403-L408 HydrophobicContact CG-CD2 3.68Å; L408-S457 CarbonylContact O-C 3.55Å; L408-S457 WeakPolarHBondContact O-CA 3.37Å; L408-L458 HydrophobicContact CB-CB 4.24Å; L408-L458 HydrophobicContact CD1-CB 4.32Å; L408-L458 PolarHBondContact N-O 2.89Å; L408-L458 PolarHBondContact O-N 3.31Å
409M94.5Very high89.7Confident38 Ų3852 Ų5219%0.18726%0.263CS..EExtended strand (participates in β ladder)trans-114.2130.7177.7-59.8-57.8-64.500109.1G401 W402 V456 S457G401-M409 CarbonylContact C-O 3.6Å; G401-M409 WeakPolarHBondContact CA-O 3.25Å; W402-M409 HydrophobicContact CD2-CB 3.65Å; W402-M409 HydrophobicContact CD2-CG 4.46Å; W402-M409 HydrophobicContact CE3-CB 4.05Å; W402-M409 HydrophobicContact CG-CB 4.21Å; W402-M409 HydrophobicContact CH2-CB 3.96Å; W402-M409 HydrophobicContact CZ2-CB 3.53Å; W402-M409 HydrophobicContact CZ2-CE 4.42Å; W402-M409 HydrophobicContact CZ2-CG 3.93Å; W402-M409 HydrophobicContact CZ3-CB 4.19Å; W402-M409 PolarHBondContact N-O 2.93Å; W402-M409 PolarHBondContact O-N 2.85Å; M409-V456 WeakPolarHBondContact CA-O 3.38Å; M409-S457 PolarHBondContact SD-OG 2.68Å
410L95Very high88.4Confident1 Ų156 Ų561%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-129.3127172.9176.872.2000108.5W362 L377 V380 L399 Q400 S455 V456W362-L410 HydrophobicContact CH2-CD1 4.47Å; W362-L410 HydrophobicContact CZ3-CD1 3.88Å; L377-L410 HydrophobicContact CD2-CB 3.87Å; L377-L410 HydrophobicContact CD2-CD2 3.73Å; L377-L410 HydrophobicContact CD2-CG 4.35Å; V380-L410 HydrophobicContact CB-CD2 4.12Å; V380-L410 HydrophobicContact CG1-CD2 3.78Å; L399-L410 HydrophobicContact CD2-CD1 3.65Å; Q400-L410 CarbonylContact O-C 3.43Å; Q400-L410 WeakPolarHBondContact O-CA 3.43Å; L410-S455 CarbonylContact O-C 3.56Å; L410-V456 HydrophobicContact CB-CB 4.25Å; L410-V456 PolarHBondContact N-O 2.9Å; L410-V456 PolarHBondContact O-N 3.39Å
411V95.3Very high86.6Confident11 Ų1160 Ų607%0.06732%0.319CS..EExtended strand (participates in β ladder)trans-127.5130178.5175.90000109.5L399 Q400 W402 E413 R453 V454L399-V411 WeakPolarHBondContact CA-O 3.42Å; Q400-V411 HydrophobicContact CB-CB 4.47Å; Q400-V411 PolarHBondContact N-O 3.26Å; Q400-V411 PolarHBondContact O-N 3.45Å; W402-V411 HydrophobicContact CH2-CB 4.34Å; W402-V411 HydrophobicContact CH2-CG2 3.5Å; W402-V411 VanDerWaalsContact CH2-CG2 3.5Å; W402-V411 HydrophobicContact CZ3-CB 4.05Å; W402-V411 HydrophobicContact CZ3-CG2 3.67Å; V411-E413 HydrophobicContact CG1-CG 3.73Å; V411-E413 WeakPolarHBondContact CG1-OE1 3.4Å; V411-R453 HydrophobicContact CG1-CG 4.14Å; V411-V454 CarbonylContact C-O 3.55Å; V411-V454 WeakPolarHBondContact CA-O 3.24Å
412I93.7Very high84.8Confident4 Ų463.9 Ų63.92%0.02136%0.359CS..EExtended strand (participates in β ladder)trans-119.8120.8175.1-50.1179.8000106.8V380 I388 L399 R453 V454V380-I412 HydrophobicContact CG1-CD1 3.97Å; I388-I412 HydrophobicContact CD1-CG2 3.96Å; L399-I412 HydrophobicContact CD2-CD1 4.34Å; L399-I412 HydrophobicContact CD2-CG1 3.72Å; L399-I412 HydrophobicContact CG-CG1 4.05Å; L399-I412 HydrophobicContact CG-CG2 4.39Å; I412-R453 CarbonylContact O-C 3.59Å; I412-R453 WeakPolarHBondContact O-CA 3.36Å; I412-V454 HydrophobicContact CB-CB 4.38Å; I412-V454 PolarHBondContact N-O 3.15Å; I412-V454 PolarHBondContact O-N 3.3Å
413E92.3Very high83.1Confident46 Ų4663 Ų6322%0.21536%0.364CS..EExtended strand (participates in β ladder)trans-125.5130.9-178.1-71.4176.9-157.900110.4V397 T398 V411 T452 R453V397-E413 CarbonylContact C-O 3.54Å; V397-E413 WeakPolarHBondContact CA-O 3.41Å; T398-E413 PolarHBondContact N-O 2.9Å; T398-E413 PolarHBondContact O-N 3.46Å; V411-E413 HydrophobicContact CG1-CG 3.73Å; V411-E413 WeakPolarHBondContact CG1-OE1 3.4Å; E413-T452 WeakPolarHBondContact CA-O 3.38Å; E413-R453 VanDerWaalsContact CD-CZ 3.5Å; E413-R453 HydrophobicContact CG-CB 3.9Å; E413-R453 HydrophobicContact CG-CG 3.74Å; E413-R453 IonicContact OE1-CZ 2.77Å; E413-R453 IonicContact OE1-NE 3.53Å; E413-R453 PolarHBondContact OE1-NE 3.37Å; E413-R453 IonicContact OE1-NH2 3.47Å; E413-R453 PolarHBondContact OE1-NH2 3.01Å; E413-R453 IonicContact OE2-CZ 3.71Å; E413-R453 IonicContact OE2-NE 3.54Å; E413-R453 PolarHBondContact OE2-NE 3.18Å; E413-R453 IonicContact OE2-NH2 3.33Å; E413-R453 PolarHBondContact OE2-NH2 2.88Å
414D91.7Very high81.4Confident17 Ų1761.9 Ų61.99%0.09137%0.369CS..EExtended strand (participates in β ladder)trans-120.1155.9166.670.1-97.2000111I388 A394 V397 G416 G451 T452I388-D414 HydrophobicContact CD1-CB 3.92Å; I388-D414 HydrophobicContact CG1-CB 3.87Å; I388-D414 HydrophobicContact CG2-CB 4.2Å; A394-D414 HydrophobicContact CB-CB 3.96Å; V397-D414 HydrophobicContact CG2-CB 4.34Å; D414-G416 WeakPolarHBondContact OD2-CA 3.24Å; D414-G416 PolarHBondContact OD2-N 2.9Å; D414-G451 WeakPolarHBondContact O-CA 3.48Å; D414-T452 PolarHBondContact N-O 2.95Å; D414-T452 PolarHBondContact O-N 2.96Å; D414-T452 WeakPolarHBondContact OD1-CA 3.29Å; D414-T452 WeakPolarHBondContact OD1-CB 3.32Å; D414-T452 PolarHBondContact OD1-N 2.93Å; D414-T452 VanDerWaalsContact OD1-O 3.09Å; D414-T452 PolarHBondContact OD2-N 3.01Å; D414-T452 VanDerWaalsContact OD2-N 3.17Å
415D88.5Confident80.1Confident71 Ų7161.3 Ų61.338%0.3837%0.366SS..  trans-97.821.1175.169.1-19.5000112.9A394 S395 A396A394-D415 WeakPolarHBondContact CA-OD1 3.36Å; A394-D415 WeakPolarHBondContact CB-OD1 3.44Å; S395-D415 PolarHBondContact N-OD1 3.16Å; S395-D415 PolarHBondContact OG-OD2 3.11Å; A396-D415 PolarHBondContact N-OD1 3.25Å; A396-D415 PolarHBondContact N-OD2 3.45Å; A396-D415 PolarHBondContact O-N 2.97Å; A396-D415 VanDerWaalsContact O-OD1 3.11Å
416G86.9Confident78.9Confident14 Ų1462.1 Ų62.114%0.14437%0.365CS..SBendtrans-81-161.4-173.500000114.6A392 D414 G418 G451A392-G416 CarbonylContact O-C 3.6Å; A392-G416 VanDerWaalsContact O-CA 3.24Å; A392-G416 WeakPolarHBondContact O-CA 3.42Å; D414-G416 WeakPolarHBondContact OD2-CA 3.24Å; D414-G416 PolarHBondContact OD2-N 2.9Å; G416-G418 PolarHBondContact O-N 3.25Å; G416-G451 VanDerWaalsContact O-CA 3.24Å; G416-G451 WeakPolarHBondContact O-CA 3.32Å
417S83Confident78.1Confident94 Ų9457 Ų5766%0.65735%0.351SS*.  trans-72.5-7.7-176.459.70000115.3A392A392-S417 PolarHBondContact O-N 3.33Å; A392-S417 PolarHBondContact O-OG 2.95Å
418G79.6Confident77.1Confident15 Ų1559.9 Ų59.916%0.15537%0.368CS..  trans76.8-170-17700000113.9G416 T452G416-G418 PolarHBondContact O-N 3.25Å; G418-T452 WeakPolarHBondContact CA-OG1 3.43Å
419L75.5Confident76.4Confident59 Ų5960.7 Ų60.731%0.30938%0.377SS..PPolyproline II helixtrans-87.6136.9174.8-74.2166.9000110.9L430 I446 T452L419-L430 HydrophobicContact CD1-CD1 4.14Å; L419-L430 HydrophobicContact CD2-CD1 4.25Å; L419-I446 HydrophobicContact CD1-CG2 3.82Å; L419-T452 HydrophobicContact CD1-CG2 4.44Å; L419-T452 HydrophobicContact CG-CG2 4.49Å
420P68.6Low75.9Confident82 Ų8259.7 Ų59.753%0.53237%0.372SS..PPolyproline II helixtrans-64.1140.2179.819.8-26.7000111.8G422 S423P420-G422 PolarHBondContact O-N 3.1Å; P420-S423 WeakPolarHBondContact O-CB 3.47Å; P420-S423 PolarHBondContact O-N 2.92Å; P420-S423 PolarHBondContact O-OG 3.23Å
421P56.1Low75.3Confident138 Ų13861.8 Ų61.890%0.89639%0.385SS*.THydrogen-bonded Turntrans-61.4127.8-179.324.5-32.6000110.5
422G58.4Low74.8Confident83 Ų8362 Ų6286%0.85639%0.389SS*.THydrogen-bonded Turntrans88.4-2.3-179.700000115.6P420 G424P420-G422 PolarHBondContact O-N 3.1Å; G422-G424 PolarHBondContact O-N 2.9Å
423S58.4Low74.5Confident55 Ų5562.1 Ų62.139%0.38539%0.39SS..SBendtrans-58.6-16.3170.649.80000113.4P420P420-S423 WeakPolarHBondContact O-CB 3.47Å; P420-S423 PolarHBondContact O-N 2.92Å; P420-S423 PolarHBondContact O-OG 3.23Å
424G54.1Low74.4Confident36 Ų3662.9 Ų62.937%0.37139%0.391SS..THydrogen-bonded Turntrans58.5161-165.400000108.8G422 Q426G422-G424 PolarHBondContact O-N 2.9Å; G424-Q426 PolarHBondContact O-N 3.12Å
425Q59.7Low74.3Confident93 Ų9368.1 Ų68.144%0.43542%0.415SS..THydrogen-bonded Turntrans-74.941168.7-57.7176.1-1900110.8R434Q425-R434 VanDerWaalsContact CB-NH2 3.3Å; Q425-R434 PolarHBondContact O-NH1 3.4Å; Q425-R434 VanDerWaalsContact OE1-NH2 3.09Å
426Q59.2Low74.2Confident159 Ų15966.4 Ų66.474%0.74340%0.403SS*.  trans-116.810.8-159.4-69.4-167.3-1800114.5G424 F428G424-Q426 PolarHBondContact O-N 3.12Å; Q426-F428 PolarHBondContact O-N 3.33Å
427G67.8Low74.5Confident37 Ų3765.7 Ų65.738%0.38140%0.396SS..  trans-59.7139.7168.100000110.7G429 L430 T431G427-G429 PolarHBondContact O-N 3.15Å; G427-G429 VanDerWaalsContact O-N 3.1Å; G427-L430 PolarHBondContact O-N 2.75Å; G427-T431 PolarHBondContact O-N 3.15Å; G427-T431 PolarHBondContact O-OG1 3.15Å
428F69.5Low74.8Confident203 Ų20364.9 Ų64.989%0.8939%0.387SS*.Hα-helixtrans-50.2-38.9179.5-75.9-79.8000112.5Q426 G432Q426-F428 PolarHBondContact O-N 3.33Å; F428-G432 PolarHBondContact O-N 3.24Å
429G76.1Confident75.1Confident19 Ų1964.7 Ų64.720%0.19638%0.384CS..Hα-helixtrans-64.2-46.9174.500000113.8E383 G427 G432 M433E383-G429 VanDerWaalsContact OE1-CA 3.25Å; E383-G429 WeakPolarHBondContact OE1-CA 3.29Å; G427-G429 PolarHBondContact O-N 3.15Å; G427-G429 VanDerWaalsContact O-N 3.1Å; G429-G432 PolarHBondContact O-N 2.83Å; G429-M433 WeakPolarHBondContact O-CG 3.46Å; G429-M433 PolarHBondContact O-N 2.61Å
430L84Confident75.7Confident16 Ų1662.1 Ų62.18%0.08437%0.37CS..Hα-helixtrans-65.8-40.8178.3-61.6-177.1000111.9L419 G427 M433 R434 I446L419-L430 HydrophobicContact CD1-CD1 4.14Å; L419-L430 HydrophobicContact CD2-CD1 4.25Å; G427-L430 PolarHBondContact O-N 2.75Å; L430-M433 HydrophobicContact CD2-CE 3.38Å; L430-M433 PolarHBondContact O-N 3.16Å; L430-R434 WeakPolarHBondContact O-CB 3.31Å; L430-R434 PolarHBondContact O-N 3.37Å; L430-I446 HydrophobicContact CB-CD1 4.42Å; L430-I446 HydrophobicContact CD1-CD1 3.95Å; L430-I446 HydrophobicContact CD2-CD1 3.8Å; L430-I446 HydrophobicContact CG-CD1 4.27Å
431T83.9Confident76.5Confident46 Ų4660.3 Ų60.328%0.28237%0.367SS..Hα-helixtrans-62.8-47.5175.5-57.50000110.3G427 M433 R434 E435G427-T431 PolarHBondContact O-N 3.15Å; G427-T431 PolarHBondContact O-OG1 3.15Å; T431-M433 PolarHBondContact O-N 3.17Å; T431-R434 PolarHBondContact O-N 2.81Å; T431-R434 VanDerWaalsContact O-N 3.14Å; T431-E435 HydrophobicContact CG2-CG 4.41Å; T431-E435 WeakPolarHBondContact O-CG 3.33Å; T431-E435 PolarHBondContact O-N 3.49Å
432G83.7Confident78.2Confident15 Ų1554.1 Ų54.116%0.15533%0.328CS..Hα-helixtrans-61.4-40.6176.600000113.1F428 G429 E435 R436F428-G432 PolarHBondContact O-N 3.24Å; G429-G432 PolarHBondContact O-N 2.83Å; G432-E435 PolarHBondContact O-N 3.15Å; G432-R436 VanDerWaalsContact O-CG 3.28Å; G432-R436 WeakPolarHBondContact O-CG 3.45Å; G432-R436 PolarHBondContact O-N 3.29Å; G432-R436 VanDerWaalsContact O-N 3.11Å
433M88.4Confident79.8Confident7 Ų754.2 Ų54.23%0.03431%0.313CS..Hα-helixtrans-61.1-45.6172.9-75.1-167.9-75.100111.7V380 E383 G429 L430 T431 R436 V437 L444V380-M433 HydrophobicContact CB-SD 4.34Å; V380-M433 HydrophobicContact CG1-SD 4.07Å; V380-M433 HydrophobicContact CG2-CB 4.44Å; V380-M433 HydrophobicContact CG2-CG 4.26Å; V380-M433 HydrophobicContact CG2-SD 4.4Å; E383-M433 HydrophobicContact CB-CE 4.29Å; E383-M433 HydrophobicContact CB-CG 3.97Å; E383-M433 HydrophobicContact CB-SD 3.78Å; E383-M433 HydrophobicContact CG-CE 3.91Å; E383-M433 HydrophobicContact CG-CG 4.03Å; E383-M433 HydrophobicContact CG-SD 4.02Å; G429-M433 WeakPolarHBondContact O-CG 3.46Å; G429-M433 PolarHBondContact O-N 2.61Å; L430-M433 HydrophobicContact CD2-CE 3.38Å; L430-M433 PolarHBondContact O-N 3.16Å; T431-M433 PolarHBondContact O-N 3.17Å; M433-R436 PolarHBondContact O-N 3.35Å; M433-V437 VanDerWaalsContact O-CG2 3.31Å; M433-V437 WeakPolarHBondContact O-CG2 3.49Å; M433-V437 PolarHBondContact O-N 2.71Å; M433-L444 HydrophobicContact CB-CD1 3.65Å
434R90.1Very high81.4Confident62 Ų6252.5 Ų52.523%0.23430%0.299CS..Hα-helixtrans-63.3-43.7179.5-175.2179.7-67108.2-2.3111.7Q425 L430 T431 V437 T438Q425-R434 VanDerWaalsContact CB-NH2 3.3Å; Q425-R434 PolarHBondContact O-NH1 3.4Å; Q425-R434 VanDerWaalsContact OE1-NH2 3.09Å; L430-R434 WeakPolarHBondContact O-CB 3.31Å; L430-R434 PolarHBondContact O-N 3.37Å; T431-R434 PolarHBondContact O-N 2.81Å; T431-R434 VanDerWaalsContact O-N 3.14Å; R434-V437 PolarHBondContact O-N 3.49Å; R434-T438 VanDerWaalsContact O-CB 3.25Å; R434-T438 WeakPolarHBondContact O-CB 3.46Å; R434-T438 PolarHBondContact O-N 3.09Å; R434-T438 PolarHBondContact O-OG1 2.98Å
435E87.8Confident83.2Confident126 Ų12656.3 Ų56.359%0.58931%0.307SS*.Hα-helixtrans-61-46.5178.6-74.8172.217200111.5T431 G432 T438 A439T431-E435 HydrophobicContact CG2-CG 4.41Å; T431-E435 WeakPolarHBondContact O-CG 3.33Å; T431-E435 PolarHBondContact O-N 3.49Å; G432-E435 PolarHBondContact O-N 3.15Å; E435-T438 PolarHBondContact O-N 3.29Å; E435-A439 VanDerWaalsContact O-CB 3.29Å; E435-A439 WeakPolarHBondContact O-CB 3.2Å; E435-A439 PolarHBondContact O-N 3.49Å
436R87.9Confident84.6Confident35 Ų3552.3 Ų52.313%0.13229%0.288CS..Hα-helixtrans-62.6-45.9178-67-179.7-161.7-72.2-14.7112.1L261 E264 T376 G432 M433 A439 L440L261-R436 HydrophobicContact CD1-CB 4.45Å; L261-R436 HydrophobicContact CD1-CG 3.74Å; E264-R436 IonicContact OE1-CZ 2.76Å; E264-R436 IonicContact OE1-NH1 3.1Å; E264-R436 IonicContact OE1-NH2 2.75Å; E264-R436 PolarHBondContact OE1-NH2 3.45Å; E264-R436 IonicContact OE2-CZ 3.33Å; E264-R436 IonicContact OE2-NH1 2.73Å; E264-R436 PolarHBondContact OE2-NH1 2.97Å; E264-R436 IonicContact OE2-NH2 2.64Å; E264-R436 PolarHBondContact OE2-NH2 3.17Å; E264-R436 VanDerWaalsContact OE2-NH2 3.1Å; T376-R436 HydrophobicContact CG2-CB 3.93Å; G432-R436 VanDerWaalsContact O-CG 3.28Å; G432-R436 WeakPolarHBondContact O-CG 3.45Å; G432-R436 PolarHBondContact O-N 3.29Å; G432-R436 VanDerWaalsContact O-N 3.11Å; M433-R436 PolarHBondContact O-N 3.35Å; R436-A439 PolarHBondContact O-N 3.36Å; R436-L440 PolarHBondContact O-N 3.15Å
437V91.8Very high85.9Confident0 Ų046.1 Ų46.10%026%0.263CS..Hα-helixtrans-64.2-43.3178.3170.60000111.2T376 V380 M433 R434 L440 G442 L444 V456 L458T376-V437 HydrophobicContact CG2-CG2 4.19Å; V380-V437 HydrophobicContact CG2-CG2 4.04Å; M433-V437 VanDerWaalsContact O-CG2 3.31Å; M433-V437 WeakPolarHBondContact O-CG2 3.49Å; M433-V437 PolarHBondContact O-N 2.71Å; R434-V437 PolarHBondContact O-N 3.49Å; V437-L440 PolarHBondContact O-N 3.41Å; V437-G442 WeakPolarHBondContact O-CA 3.36Å; V437-G442 PolarHBondContact O-N 3.47Å; V437-L444 HydrophobicContact CB-CB 4.36Å; V437-L444 HydrophobicContact CG1-CB 4.2Å; V437-L444 HydrophobicContact CG2-CD1 4.28Å; V437-V456 HydrophobicContact CB-CG1 4.49Å; V437-V456 HydrophobicContact CG1-CG1 3.91Å; V437-V456 HydrophobicContact CG2-CG1 3.68Å; V437-V456 HydrophobicContact CG2-CG2 4.09Å; V437-L458 HydrophobicContact CG1-CD2 4.05Å
438T89.8Confident86.7Confident77 Ų7747.2 Ų47.247%0.47226%0.264SS..Hα-helixtrans-68.5-35.8-179.9-52.90000111.8R434 E435 L440 G441R434-T438 VanDerWaalsContact O-CB 3.25Å; R434-T438 WeakPolarHBondContact O-CB 3.46Å; R434-T438 PolarHBondContact O-N 3.09Å; R434-T438 PolarHBondContact O-OG1 2.98Å; E435-T438 PolarHBondContact O-N 3.29Å; T438-L440 PolarHBondContact O-N 3.33Å; T438-G441 WeakPolarHBondContact O-CA 3.31Å; T438-G441 PolarHBondContact O-N 2.96Å
439A86.6Confident87Confident11 Ų1144.5 Ų44.59%0.09126%0.258CS..Hα-helixtrans-60-34.1176.300000112.1A257 L261 E435 R436 G441A257-A439 HydrophobicContact CB-CB 4.08Å; L261-A439 HydrophobicContact CD2-CB 4.32Å; E435-A439 VanDerWaalsContact O-CB 3.29Å; E435-A439 WeakPolarHBondContact O-CB 3.2Å; E435-A439 PolarHBondContact O-N 3.49Å; R436-A439 PolarHBondContact O-N 3.36Å; A439-G441 PolarHBondContact O-N 2.9Å
440L87.4Confident87.1Confident4 Ų452.1 Ų52.12%0.02129%0.288CS..THydrogen-bonded Turntrans-84.26.9174.7-62.3-177.6000113.8L261 N372 Q373 T376 R436 V437 T438 G442 L458 P459L261-L440 HydrophobicContact CD2-CD2 4.33Å; L261-L440 HydrophobicContact CD2-CG 4.31Å; N372-L440 HydrophobicContact CB-CD2 4.03Å; Q373-L440 HydrophobicContact CG-CD1 4.14Å; T376-L440 HydrophobicContact CG2-CD1 4.03Å; T376-L440 WeakPolarHBondContact OG1-CD1 3.18Å; R436-L440 PolarHBondContact O-N 3.15Å; V437-L440 PolarHBondContact O-N 3.41Å; T438-L440 PolarHBondContact O-N 3.33Å; L440-G442 VanDerWaalsContact C-N 3.32Å; L440-L458 HydrophobicContact CB-CD2 3.78Å; L440-L458 HydrophobicContact CD1-CD2 4.25Å; L440-P459 WeakPolarHBondContact O-CG 3.38Å
441G86.2Confident87.1Confident44 Ų4451.8 Ų51.845%0.45429%0.288SS..THydrogen-bonded Turntrans77.815.1-178.100000114.3T438 A439T438-G441 WeakPolarHBondContact O-CA 3.31Å; T438-G441 PolarHBondContact O-N 2.96Å; A439-G441 PolarHBondContact O-N 2.9Å
442G90.6Very high87.3Confident9 Ų950.5 Ų50.59%0.09328%0.28CS..  trans-90.8-178.9176.800000114.7V437 L440 S457V437-G442 WeakPolarHBondContact O-CA 3.36Å; V437-G442 PolarHBondContact O-N 3.47Å; L440-G442 VanDerWaalsContact C-N 3.32Å; G442-S457 CarbonylContact C-O 3.54Å; G442-S457 WeakPolarHBondContact CA-O 3.34Å
443T92.7Very high87.6Confident85 Ų8555.4 Ų55.452%0.52129%0.294SS..EExtended strand (participates in β ladder)trans-128.5142.8174.258.20000110.7V456 S457T443-V456 WeakPolarHBondContact O-CA 3.47Å; T443-S457 PolarHBondContact N-O 3.43Å; T443-S457 PolarHBondContact O-N 3.33Å
444L92.4Very high87.7Confident18 Ų1855.6 Ų55.69%0.09430%0.296CS..EExtended strand (participates in β ladder)trans-121.2122.5174-176.1154.4000108.6M433 V437 I446 V454 S455 V456M433-L444 HydrophobicContact CB-CD1 3.65Å; V437-L444 HydrophobicContact CB-CB 4.36Å; V437-L444 HydrophobicContact CG1-CB 4.2Å; V437-L444 HydrophobicContact CG2-CD1 4.28Å; L444-I446 HydrophobicContact CD2-CD1 3.8Å; L444-I446 HydrophobicContact CD2-CG1 3.49Å; L444-I446 VanDerWaalsContact CD2-CG1 3.49Å; L444-V454 HydrophobicContact CD1-CG1 4.24Å; L444-V454 HydrophobicContact CD2-CG1 4.4Å; L444-V454 HydrophobicContact CG-CG1 4.21Å; L444-S455 CarbonylContact C-O 3.57Å; L444-S455 WeakPolarHBondContact CA-O 3.36Å; L444-V456 HydrophobicContact CB-CG2 4.23Å; L444-V456 HydrophobicContact CD1-CG2 3.8Å; L444-V456 HydrophobicContact CG-CG2 3.88Å
445H91.2Very high87.9Confident117 Ų11754 Ų5454%0.54229%0.294SS..EExtended strand (participates in β ladder)trans-122.2134.4177.1-171.471.8000110.6S455H445-S455 WeakPolarHBondContact CB-OG 3.34Å; H445-S455 PolarHBondContact N-O 3.26Å; H445-S455 PolarHBondContact O-N 3.15Å; H445-S455 PolarHBondContact O-OG 3.41Å
446I89Confident88.2Confident8 Ų848.1 Ų48.14%0.04127%0.267CS..EExtended strand (participates in β ladder)trans-118.8125.8-178.4-51.4175.6000107.8L419 L430 L444 T452 R453 V454L419-I446 HydrophobicContact CD1-CG2 3.82Å; L430-I446 HydrophobicContact CB-CD1 4.42Å; L430-I446 HydrophobicContact CD1-CD1 3.95Å; L430-I446 HydrophobicContact CD2-CD1 3.8Å; L430-I446 HydrophobicContact CG-CD1 4.27Å; L444-I446 HydrophobicContact CD2-CD1 3.8Å; L444-I446 HydrophobicContact CD2-CG1 3.49Å; L444-I446 VanDerWaalsContact CD2-CG1 3.49Å; I446-T452 HydrophobicContact CG2-CG2 3.75Å; I446-R453 WeakPolarHBondContact CA-O 3.42Å; I446-V454 HydrophobicContact CG1-CG2 4.45Å; I446-V454 HydrophobicContact CG2-CG2 4.49Å
447S87.2Confident88.5Confident30 Ų3047 Ų4721%0.2126%0.264CS..EExtended strand (participates in β ladder)trans-123.9138.3174590000110.5R453S447-R453 PolarHBondContact N-O 3.22Å; S447-R453 PolarHBondContact O-N 3.47Å; S447-R453 WeakPolarHBondContact OG-CB 3.21Å
448C84.3Confident88.5Confident59 Ų5947 Ų4740%0.39926%0.264SS..  trans-121.457.2-176-62.90000112.4G451C448-G451 CarbonylContact C-O 3.55Å; C448-G451 WeakPolarHBondContact CA-O 3.41Å
449L76Confident88.4Confident146 Ų14645.3 Ų45.376%0.76425%0.254SS*.SBendtrans-86.7-43.7-174.9-82.5156.7000113.3
450H77.6Confident88Confident179 Ų17946.4 Ų46.483%0.82926%0.258SS*.SBendtrans-143.858.6-179-65.1-65.8000109.5
451G83.9Confident87.1Confident9 Ų950.5 Ų50.59%0.09327%0.273CS..SBendtrans105-158.3-163.200000111.4D414 G416 C448D414-G451 WeakPolarHBondContact O-CA 3.48Å; G416-G451 VanDerWaalsContact O-CA 3.24Å; G416-G451 WeakPolarHBondContact O-CA 3.32Å; C448-G451 CarbonylContact C-O 3.55Å; C448-G451 WeakPolarHBondContact CA-O 3.41Å
452T87.9Confident85.6Confident20 Ų2056.5 Ų56.512%0.12328%0.283CS..  trans-112.3127.8176.5-44.70000111.6E413 D414 G418 L419 I446 V454E413-T452 WeakPolarHBondContact CA-O 3.38Å; D414-T452 PolarHBondContact N-O 2.95Å; D414-T452 PolarHBondContact O-N 2.96Å; D414-T452 WeakPolarHBondContact OD1-CA 3.29Å; D414-T452 WeakPolarHBondContact OD1-CB 3.32Å; D414-T452 PolarHBondContact OD1-N 2.93Å; D414-T452 VanDerWaalsContact OD1-O 3.09Å; D414-T452 PolarHBondContact OD2-N 3.01Å; D414-T452 VanDerWaalsContact OD2-N 3.17Å; G418-T452 WeakPolarHBondContact CA-OG1 3.43Å; L419-T452 HydrophobicContact CD1-CG2 4.44Å; L419-T452 HydrophobicContact CG-CG2 4.49Å; I446-T452 HydrophobicContact CG2-CG2 3.75Å; T452-V454 HydrophobicContact CG2-CG2 4.26Å
453R90.6Very high83.4Confident118 Ų11864.3 Ų64.345%0.44533%0.328SS..EExtended strand (participates in β ladder)trans-113.7115.5170.6171.8-177.3-70.4-170.9-8.7109.2V411 I412 E413 I446 S447V411-R453 HydrophobicContact CG1-CG 4.14Å; I412-R453 CarbonylContact O-C 3.59Å; I412-R453 WeakPolarHBondContact O-CA 3.36Å; E413-R453 VanDerWaalsContact CD-CZ 3.5Å; E413-R453 HydrophobicContact CG-CB 3.9Å; E413-R453 HydrophobicContact CG-CG 3.74Å; E413-R453 IonicContact OE1-CZ 2.77Å; E413-R453 IonicContact OE1-NE 3.53Å; E413-R453 PolarHBondContact OE1-NE 3.37Å; E413-R453 IonicContact OE1-NH2 3.47Å; E413-R453 PolarHBondContact OE1-NH2 3.01Å; E413-R453 IonicContact OE2-CZ 3.71Å; E413-R453 IonicContact OE2-NE 3.54Å; E413-R453 PolarHBondContact OE2-NE 3.18Å; E413-R453 IonicContact OE2-NH2 3.33Å; E413-R453 PolarHBondContact OE2-NH2 2.88Å; I446-R453 WeakPolarHBondContact CA-O 3.42Å; S447-R453 PolarHBondContact N-O 3.22Å; S447-R453 PolarHBondContact O-N 3.47Å; S447-R453 WeakPolarHBondContact OG-CB 3.21Å
454V91.7Very high83Confident11 Ų1163.3 Ų63.37%0.06732%0.319CS..EExtended strand (participates in β ladder)trans-102.3118.1172-177.50000108.1V411 I412 L444 I446 T452 V456V411-V454 CarbonylContact C-O 3.55Å; V411-V454 WeakPolarHBondContact CA-O 3.24Å; I412-V454 HydrophobicContact CB-CB 4.38Å; I412-V454 PolarHBondContact N-O 3.15Å; I412-V454 PolarHBondContact O-N 3.3Å; L444-V454 HydrophobicContact CD1-CG1 4.24Å; L444-V454 HydrophobicContact CD2-CG1 4.4Å; L444-V454 HydrophobicContact CG-CG1 4.21Å; I446-V454 HydrophobicContact CG1-CG2 4.45Å; I446-V454 HydrophobicContact CG2-CG2 4.49Å; T452-V454 HydrophobicContact CG2-CG2 4.26Å; V454-V456 HydrophobicContact CG1-CG2 4.41Å
455S93.3Very high82.5Confident28 Ų2865.6 Ų65.620%0.19633%0.331CS..EExtended strand (participates in β ladder)trans-115.3127178.357.30000110.1L410 L444 H445L410-S455 CarbonylContact O-C 3.56Å; L444-S455 CarbonylContact C-O 3.57Å; L444-S455 WeakPolarHBondContact CA-O 3.36Å; H445-S455 WeakPolarHBondContact CB-OG 3.34Å; H445-S455 PolarHBondContact N-O 3.26Å; H445-S455 PolarHBondContact O-N 3.15Å; H445-S455 PolarHBondContact O-OG 3.41Å
456V94.5Very high82Confident2 Ų262.8 Ų62.81%0.01232%0.319CS..EExtended strand (participates in β ladder)trans-121.2131.5-179.71710000108.8V380 M409 L410 V437 T443 L444 V454 L458V380-V456 HydrophobicContact CG1-CG2 3.94Å; V380-V456 HydrophobicContact CG2-CG2 4.5Å; M409-V456 WeakPolarHBondContact CA-O 3.38Å; L410-V456 HydrophobicContact CB-CB 4.25Å; L410-V456 PolarHBondContact N-O 2.9Å; L410-V456 PolarHBondContact O-N 3.39Å; V437-V456 HydrophobicContact CB-CG1 4.49Å; V437-V456 HydrophobicContact CG1-CG1 3.91Å; V437-V456 HydrophobicContact CG2-CG1 3.68Å; V437-V456 HydrophobicContact CG2-CG2 4.09Å; T443-V456 WeakPolarHBondContact O-CA 3.47Å; L444-V456 HydrophobicContact CB-CG2 4.23Å; L444-V456 HydrophobicContact CD1-CG2 3.8Å; L444-V456 HydrophobicContact CG-CG2 3.88Å; V454-V456 HydrophobicContact CG1-CG2 4.41Å; V456-L458 HydrophobicContact CG1-CD1 4.43Å; V456-L458 HydrophobicContact CG1-CG 4.08Å
457S93.3Very high81.6Confident11 Ų1166 Ų668%0.07734%0.335CS..EExtended strand (participates in β ladder)trans-120.5122.7172.5-172.50000108.6L408 M409 G442 T443L408-S457 CarbonylContact O-C 3.55Å; L408-S457 WeakPolarHBondContact O-CA 3.37Å; M409-S457 PolarHBondContact SD-OG 2.68Å; G442-S457 CarbonylContact C-O 3.54Å; G442-S457 WeakPolarHBondContact CA-O 3.34Å; T443-S457 PolarHBondContact N-O 3.43Å; T443-S457 PolarHBondContact O-N 3.33Å
458L91.8Very high81.2Confident1 Ų168.3 Ų68.31%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-118140.7174.3-68.3168.3000109.4L377 R407 L408 V437 L440 V456L377-L458 HydrophobicContact CD2-CD1 3.85Å; L377-L458 HydrophobicContact CG-CD1 4.06Å; R407-L458 CarbonylContact C-O 3.6Å; R407-L458 WeakPolarHBondContact CA-O 3.47Å; L408-L458 HydrophobicContact CB-CB 4.24Å; L408-L458 HydrophobicContact CD1-CB 4.32Å; L408-L458 PolarHBondContact N-O 2.89Å; L408-L458 PolarHBondContact O-N 3.31Å; V437-L458 HydrophobicContact CG1-CD2 4.05Å; L440-L458 HydrophobicContact CB-CD2 3.78Å; L440-L458 HydrophobicContact CD1-CD2 4.25Å; V456-L458 HydrophobicContact CG1-CD1 4.43Å; V456-L458 HydrophobicContact CG1-CG 4.08Å
459P87.8Confident81Confident41 Ų4168.9 Ų68.927%0.26634%0.339SS..EExtended strand (participates in β ladder)trans-65.2139.5169.828.6-33000109.7Q373 L440 R461Q373-P459 PolarHBondContact NE2-O 3.17Å; L440-P459 WeakPolarHBondContact O-CG 3.38Å; P459-R461 PolarHBondContact O-N 3.35Å
460Q78.8Confident81.4Confident35 Ų3563.4 Ų63.416%0.16431%0.309CS..  trans-69.7122.1170.6-166.1167.616.400107.8D405 E406D405-Q460 PolarHBondContact O-OE1 2.98Å; E406-Q460 WeakPolarHBondContact O-CB 3.44Å; E406-Q460 PolarHBondContact O-N 3.47Å
461R67.8Low81.7Confident89 Ų8954.5 Ų54.534%0.33627%0.269SS..  trans-115.9112.2177.3-75.1-173.6178.4-176.7-0.9106.4E258 P459 V463E258-R461 IonicContact OE1-NH1 2.83Å; E258-R461 PolarHBondContact OE1-NH1 2.83Å; E258-R461 IonicContact OE2-CZ 2.98Å; E258-R461 IonicContact OE2-NH1 2.87Å; E258-R461 PolarHBondContact OE2-NH1 2.82Å; E258-R461 IonicContact OE2-NH2 2.71Å; P459-R461 PolarHBondContact O-N 3.35Å; R461-V463 PolarHBondContact O-N 3.44Å
462Y54.6Low81.5Confident171 Ų17158.3 Ų58.367%0.67128%0.284SS*.  trans-64.6128.7168.4-63.6-80.3000108.2
463V45.6Very low80.9Confident172 Ų17261.7 Ų61.7100%1.04230%0.298SS*.  trans-70.40168.4176.70000109.7R461R461-V463 PolarHBondContact O-N 3.44Å

Retrieved 463 of 463 residues in 275.9 ms (Link to these results)

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