K7F953_PELSI Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession K7F953, Species PELSI (Pelodiscus sinensis, Chinese softshell turtle), Gene RNF166, Length 185 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
1F88.5Confident87.8Confident148 Ų14883.9 Ų83.965%0.64947%0.467SS*.  0155.10-60.3-87.6000109.4L6 P18 L19F1-L6 HydrophobicContact CB-CB 4.06Å; F1-L6 HydrophobicContact CB-CD1 4.46Å; F1-L6 HydrophobicContact CD2-CD1 4.28Å; F1-L6 HydrophobicContact CG-CD1 4.38Å; F1-P18 HydrophobicContact CE1-CB 4.28Å; F1-P18 HydrophobicContact CE1-CG 4.32Å; F1-P18 HydrophobicContact CZ-CB 4.45Å; F1-P18 HydrophobicContact CZ-CG 4.41Å; F1-L19 HydrophobicContact CE1-CD1 4.12Å; F1-L19 HydrophobicContact CE1-CG 4.18Å; F1-L19 HydrophobicContact CE2-CD1 4.3Å; F1-L19 HydrophobicContact CZ-CD1 3.5Å; F1-L19 VanDerWaalsContact CZ-CD1 3.5Å; F1-L19 HydrophobicContact CZ-CG 3.71Å
2C88.2Confident87.5Confident50 Ų5083.3 Ų83.334%0.33847%0.467SS..  trans-73.5154.4168.191.60000109.9E4 C5 L6C2-E4 PolarHBondContact O-N 3.38Å; C2-C5 HydrophobicContact CB-CB 4.12Å; C2-C5 WeakPolarHBondContact CB-SG 3.41Å; C2-C5 WeakPolarHBondContact O-CB 3.35Å; C2-C5 PolarHBondContact O-N 2.85Å; C2-C5 VanDerWaalsContact O-N 3.16Å; C2-C5 WeakPolarHBondContact SG-CB 3.3Å; C2-C5 PolarHBondContact SG-N 3.22Å; C2-C5 CovalentContact SG-SG 2.06Å; C2-C5 PolarHBondContact SG-SG 2.97Å; C2-L6 PolarHBondContact O-N 3.04Å
3G86.1Confident86.9Confident62 Ų6286.4 Ų86.464%0.63949%0.493SS*.Hα-helixtrans-57.9-48.1-177.700000112.8C5 L6 Q7G3-C5 VanDerWaalsContact C-N 3.28Å; G3-C5 PolarHBondContact O-N 2.9Å; G3-L6 PolarHBondContact O-N 3.13Å; G3-Q7 WeakPolarHBondContact O-CB 3.31Å; G3-Q7 PolarHBondContact O-N 3.32Å
4E87.1Confident86.9Confident167 Ų16787.6 Ų87.678%0.7851%0.509SS*.Hα-helixtrans-61.2-37.3176.6-58.7178.4126.400112.2C2 L6 P8C2-E4 PolarHBondContact O-N 3.38Å; E4-L6 VanDerWaalsContact C-N 3.33Å; E4-L6 PolarHBondContact O-N 3.43Å; E4-P8 WeakPolarHBondContact O-CD 3.37Å
5C87.1Confident87.1Confident76 Ų7682.1 Ų82.151%0.51448%0.477SS..Hα-helixtrans-69.8-31.6-179.5-51.20000112.4C2 G3C2-C5 HydrophobicContact CB-CB 4.12Å; C2-C5 WeakPolarHBondContact CB-SG 3.41Å; C2-C5 WeakPolarHBondContact O-CB 3.35Å; C2-C5 PolarHBondContact O-N 2.85Å; C2-C5 VanDerWaalsContact O-N 3.16Å; C2-C5 WeakPolarHBondContact SG-CB 3.3Å; C2-C5 PolarHBondContact SG-N 3.22Å; C2-C5 CovalentContact SG-SG 2.06Å; C2-C5 PolarHBondContact SG-SG 2.97Å; G3-C5 VanDerWaalsContact C-N 3.28Å; G3-C5 PolarHBondContact O-N 2.9Å
6L89.8Confident87.2Confident26 Ų2682.6 Ų82.614%0.13648%0.477CS..Hα-helixtrans-90.1-23.9-178.1-171.661.9000112F1 C2 G3 E4 P8 C9 L10 V29F1-L6 HydrophobicContact CB-CB 4.06Å; F1-L6 HydrophobicContact CB-CD1 4.46Å; F1-L6 HydrophobicContact CD2-CD1 4.28Å; F1-L6 HydrophobicContact CG-CD1 4.38Å; C2-L6 PolarHBondContact O-N 3.04Å; G3-L6 PolarHBondContact O-N 3.13Å; E4-L6 VanDerWaalsContact C-N 3.33Å; E4-L6 PolarHBondContact O-N 3.43Å; L6-P8 VanDerWaalsContact C-CD 3.48Å; L6-C9 HydrophobicContact CD1-CB 4.27Å; L6-C9 WeakPolarHBondContact O-CB 3.44Å; L6-C9 PolarHBondContact O-N 3.03Å; L6-L10 HydrophobicContact CG-CD1 4.43Å; L6-L10 HydrophobicContact CG-CD2 4.37Å; L6-L10 HydrophobicContact CG-CG 4.28Å; L6-L10 PolarHBondContact O-N 3.43Å; L6-V29 HydrophobicContact CD2-CG1 3.7Å
7Q89.3Confident87.3Confident90 Ų9079.2 Ų79.242%0.42146%0.459SS..Hα-helixtrans-51.3-46.2-174.3-133.4-76.4-74.600113.9G3 C9 L10 Q11G3-Q7 WeakPolarHBondContact O-CB 3.31Å; G3-Q7 PolarHBondContact O-N 3.32Å; Q7-C9 PolarHBondContact O-N 2.88Å; Q7-L10 PolarHBondContact O-N 3.16Å; Q7-Q11 PolarHBondContact O-N 3.43Å
8P88.6Confident87.1Confident80 Ų8078.8 Ų78.852%0.51946%0.459SS..Hα-helixtrans-59-36.1177.9-24.734.9000113E4 L6 L10 Q11E4-P8 WeakPolarHBondContact O-CD 3.37Å; L6-P8 VanDerWaalsContact C-CD 3.48Å; P8-L10 VanDerWaalsContact C-N 3.26Å; P8-L10 PolarHBondContact O-N 3.27Å; P8-Q11 PolarHBondContact O-N 3.08Å
9C87.1Confident87.2Confident31 Ų3182.2 Ų82.221%0.20947%0.474CS..Hα-helixtrans-69.6-23.1176.9-57.40000112.5L6 Q7 V12 P15 F24L6-C9 HydrophobicContact CD1-CB 4.27Å; L6-C9 WeakPolarHBondContact O-CB 3.44Å; L6-C9 PolarHBondContact O-N 3.03Å; Q7-C9 PolarHBondContact O-N 2.88Å; C9-V12 WeakPolarHBondContact O-CG2 3.47Å; C9-P15 WeakPolarHBondContact O-CB 3.43Å; C9-F24 HydrophobicContact CB-CZ 4.4Å
10L87.8Confident87.4Confident56 Ų5682.1 Ų82.129%0.29348%0.478SS..Hα-helixtrans-83.6-15.9-179.7-57.9176.8000113L6 Q7 P8 F24 P26 V29L6-L10 HydrophobicContact CG-CD1 4.43Å; L6-L10 HydrophobicContact CG-CD2 4.37Å; L6-L10 HydrophobicContact CG-CG 4.28Å; L6-L10 PolarHBondContact O-N 3.43Å; Q7-L10 PolarHBondContact O-N 3.16Å; P8-L10 VanDerWaalsContact C-N 3.26Å; P8-L10 PolarHBondContact O-N 3.27Å; L10-F24 HydrophobicContact CD2-CE2 3.69Å; L10-F24 HydrophobicContact CD2-CZ 4.07Å; L10-P26 HydrophobicContact CD2-CB 3.97Å; L10-V29 HydrophobicContact CD2-CG2 3.97Å
11Q85.9Confident87.4Confident137 Ų13787.8 Ų87.864%0.6449%0.491SS*.SBendtrans-86.8-13.1-177.6-64.1-179.6-0.900113.2Q7 P8Q7-Q11 PolarHBondContact O-N 3.43Å; P8-Q11 PolarHBondContact O-N 3.08Å
12V84.9Confident87.5Confident76 Ų7686.6 Ų86.646%0.46149%0.489SS..SBendtrans-89.4146-177.8-63.40000111.9C9 S14 P15C9-V12 WeakPolarHBondContact O-CG2 3.47Å; V12-S14 PolarHBondContact O-N 3.22Å; V12-P15 HydrophobicContact CG2-CB 4.04Å
13P79.4Confident87.6Confident124 Ų12488.8 Ų88.881%0.80550%0.503SS*.SBendtrans-62.1130.3168.8-4.715.5000109.7
14S86.3Confident87.8Confident104 Ų10488.5 Ų88.573%0.72748%0.484SS*.SBendtrans56.871.8179.7-60.60000114.2V12V12-S14 PolarHBondContact O-N 3.22Å
15P90Very high88Confident4 Ų483.7 Ų83.73%0.02646%0.464CS..  trans-73.3141-171.135.7-40.3000112.5C9 V12 P23 F24 P26C9-P15 WeakPolarHBondContact O-CB 3.43Å; V12-P15 HydrophobicContact CG2-CB 4.04Å; P15-P23 WeakPolarHBondContact O-CA 3.49Å; P15-F24 HydrophobicContact CB-CD1 4.4Å; P15-F24 HydrophobicContact CB-CE1 3.75Å; P15-F24 HydrophobicContact CB-CE2 4.19Å; P15-F24 HydrophobicContact CB-CZ 3.64Å; P15-F24 HydrophobicContact CG-CD1 4.35Å; P15-F24 HydrophobicContact CG-CD2 4.17Å; P15-F24 HydrophobicContact CG-CE1 4.08Å; P15-F24 HydrophobicContact CG-CE2 3.86Å; P15-F24 HydrophobicContact CG-CG 4.4Å; P15-F24 HydrophobicContact CG-CZ 3.83Å; P15-F24 VanDerWaalsContact CG-O 3.29Å; P15-F24 WeakPolarHBondContact CG-O 3.46Å; P15-F24 WeakPolarHBondContact O-CD1 3.34Å; P15-F24 PolarHBondContact O-N 3.36Å; P15-P26 HydrophobicContact CG-CB 4.45Å; P15-P26 HydrophobicContact CG-CG 3.81Å
16L89.8Confident88Confident90 Ų9082.6 Ų82.647%0.47146%0.455SS..BIsolated β-bridgetrans-107.4140.3178-56.5-177.2000110.5P18 P23 F24L16-P18 WeakPolarHBondContact O-CD 3.45Å; L16-P23 HydrophobicContact CD2-CB 4.04Å; L16-P23 HydrophobicContact CD2-CG 3.76Å; L16-F24 VanDerWaalsContact C-CE1 3.49Å
17C87.6Confident87.9Confident25 Ų2590.5 Ų90.517%0.16949%0.489CS..  trans-62.4127.3176.8176.40000110.7L19 C20 R21 M22 F24C17-L19 PolarHBondContact O-N 3.05Å; C17-C20 WeakPolarHBondContact CB-SG 3.04Å; C17-C20 PolarHBondContact SG-SG 2.96Å; C17-R21 WeakPolarHBondContact O-CA 3.44Å; C17-R21 PolarHBondContact O-N 3.19Å; C17-M22 PolarHBondContact N-O 3.27Å; C17-F24 HydrophobicContact CB-CD1 4.38Å
18P83.8Confident87.9Confident72 Ų7293.9 Ų93.947%0.46850%0.502SS..THydrogen-bonded Turntrans-61.3-17.7-179.8-26.235.2000115.2F1 L16F1-P18 HydrophobicContact CE1-CB 4.28Å; F1-P18 HydrophobicContact CE1-CG 4.32Å; F1-P18 HydrophobicContact CZ-CB 4.45Å; F1-P18 HydrophobicContact CZ-CG 4.41Å; L16-P18 WeakPolarHBondContact O-CD 3.45Å
19L88.9Confident88Confident143 Ų14392.9 Ų92.975%0.74950%0.495SS*.THydrogen-bonded Turntrans-97-52-179-70170.8000112.5F1 C17F1-L19 HydrophobicContact CE1-CD1 4.12Å; F1-L19 HydrophobicContact CE1-CG 4.18Å; F1-L19 HydrophobicContact CE2-CD1 4.3Å; F1-L19 HydrophobicContact CZ-CD1 3.5Å; F1-L19 VanDerWaalsContact CZ-CD1 3.5Å; F1-L19 HydrophobicContact CZ-CG 3.71Å; C17-L19 PolarHBondContact O-N 3.05Å
20C91.9Very high88.1Confident80 Ų8099.8 Ų99.854%0.54152%0.523SS..THydrogen-bonded Turntrans-106.6-2.3-173.863.90000114.2C17 M22C17-C20 WeakPolarHBondContact CB-SG 3.04Å; C17-C20 PolarHBondContact SG-SG 2.96Å; C20-M22 HydrophobicContact CB-CG 4.33Å; C20-M22 PolarHBondContact O-N 3.2Å
21R87.9Confident88.2Confident203 Ų203105 Ų10577%0.76654%0.544SS*.  trans57.610.6-177-58.6-178.4178.7-113.62.6115.4C17C17-R21 WeakPolarHBondContact O-CA 3.44Å; C17-R21 PolarHBondContact O-N 3.19Å
22M90.4Very high88.5Confident123 Ų123101 Ų10161%0.60653%0.534SS*.  trans-71.9137.8175.7-66.7-60.3-66.600110.6C17 C20C17-M22 PolarHBondContact N-O 3.27Å; C20-M22 HydrophobicContact CB-CG 4.33Å; C20-M22 PolarHBondContact O-N 3.2Å
23P90.3Very high88.9Confident95 Ų95100.6 Ų100.662%0.61754%0.535SS*.BIsolated β-bridgetrans-59142.1170.7-19.330.4000110.9P15 L16P15-P23 WeakPolarHBondContact O-CA 3.49Å; L16-P23 HydrophobicContact CD2-CB 4.04Å; L16-P23 HydrophobicContact CD2-CG 3.76Å
24F90.5Very high89.5Confident57 Ų5799.8 Ų99.825%0.2552%0.524CS..  trans-137.1160173.169.2-87.4000111.3C9 L10 P15 L16 C17 P26 V29C9-F24 HydrophobicContact CB-CZ 4.4Å; L10-F24 HydrophobicContact CD2-CE2 3.69Å; L10-F24 HydrophobicContact CD2-CZ 4.07Å; P15-F24 HydrophobicContact CB-CD1 4.4Å; P15-F24 HydrophobicContact CB-CE1 3.75Å; P15-F24 HydrophobicContact CB-CE2 4.19Å; P15-F24 HydrophobicContact CB-CZ 3.64Å; P15-F24 HydrophobicContact CG-CD1 4.35Å; P15-F24 HydrophobicContact CG-CD2 4.17Å; P15-F24 HydrophobicContact CG-CE1 4.08Å; P15-F24 HydrophobicContact CG-CE2 3.86Å; P15-F24 HydrophobicContact CG-CG 4.4Å; P15-F24 HydrophobicContact CG-CZ 3.83Å; P15-F24 VanDerWaalsContact CG-O 3.29Å; P15-F24 WeakPolarHBondContact CG-O 3.46Å; P15-F24 WeakPolarHBondContact O-CD1 3.34Å; P15-F24 PolarHBondContact O-N 3.36Å; L16-F24 VanDerWaalsContact C-CE1 3.49Å; C17-F24 HydrophobicContact CB-CD1 4.38Å; F24-P26 WeakPolarHBondContact O-CD 3.39Å; F24-V29 HydrophobicContact CD2-CG2 3.74Å; F24-V29 HydrophobicContact CE2-CG2 3.6Å
25D90.3Very high89.8Confident66 Ų6698 Ų9835%0.35351%0.508SS..  trans-89.3116.9176.9-176.8-13000109.4K27 K28D25-K27 PolarHBondContact O-N 2.95Å; D25-K27 VanDerWaalsContact O-N 3.16Å; D25-K27 WeakPolarHBondContact OD1-CB 3.5Å; D25-K27 PolarHBondContact OD1-N 3.16Å; D25-K28 HydrophobicContact CB-CB 4.13Å; D25-K28 HydrophobicContact CB-CD 3.92Å; D25-K28 HydrophobicContact CB-CG 3.9Å; D25-K28 PolarHBondContact O-N 2.86Å; D25-K28 WeakPolarHBondContact OD2-CE 3.42Å
26P88.3Confident89.8Confident52 Ų52102.6 Ų102.634%0.33853%0.529SS..G310 helixtrans-58.5-27.4178.54.7-6.5000113.1L10 P15 F24 K28 V29L10-P26 HydrophobicContact CD2-CB 3.97Å; P15-P26 HydrophobicContact CG-CB 4.45Å; P15-P26 HydrophobicContact CG-CG 3.81Å; F24-P26 WeakPolarHBondContact O-CD 3.39Å; P26-K28 VanDerWaalsContact C-N 3.31Å; P26-V29 PolarHBondContact O-N 3.44Å
27K87.8Confident90Very high193 Ų193105.8 Ų105.884%0.83954%0.54SS*.G310 helixtrans-75.1-20.9178.7-61.4-178.9-179.7178.40113.1D25 V29D25-K27 PolarHBondContact O-N 2.95Å; D25-K27 VanDerWaalsContact O-N 3.16Å; D25-K27 WeakPolarHBondContact OD1-CB 3.5Å; D25-K27 PolarHBondContact OD1-N 3.16Å; K27-V29 VanDerWaalsContact C-N 3.33Å
28K88.8Confident90.3Very high161 Ų161110.5 Ų110.570%0.756%0.559SS**G310 helixtrans-92.45.5177.5-62-177.2-174.3177.80112.7D25 P26 E30D25-K28 HydrophobicContact CB-CB 4.13Å; D25-K28 HydrophobicContact CB-CD 3.92Å; D25-K28 HydrophobicContact CB-CG 3.9Å; D25-K28 PolarHBondContact O-N 2.86Å; D25-K28 WeakPolarHBondContact OD2-CE 3.42Å; P26-K28 VanDerWaalsContact C-N 3.31Å; K28-E30 PolarHBondContact O-N 3.08Å
29V89.8Confident90.7Very high59 Ų59110.4 Ų110.436%0.35855%0.554SS.*  trans-77.8109.5176177.90000108.9L6 L10 F24 P26 K27L6-V29 HydrophobicContact CD2-CG1 3.7Å; L10-V29 HydrophobicContact CD2-CG2 3.97Å; F24-V29 HydrophobicContact CD2-CG2 3.74Å; F24-V29 HydrophobicContact CE2-CG2 3.6Å; P26-V29 PolarHBondContact O-N 3.44Å; K27-V29 VanDerWaalsContact C-N 3.33Å
30E90.3Very high90.9Very high175 Ų175106.8 Ų106.882%0.81854%0.541SS*.  trans-108.9155.6179.4-63-174.1124.300111.7K28 A32K28-E30 PolarHBondContact O-N 3.08Å; E30-A32 PolarHBondContact O-N 2.95Å
31K89.9Confident91Very high166 Ų166107.4 Ų107.472%0.72255%0.546SS*.  trans-68.7129.3172.9-73.2-172.6178.9-178.40109.8S33K31-S33 VanDerWaalsContact C-N 3.3Å; K31-S33 PolarHBondContact O-N 3.26Å
32A92.9Very high91.4Very high53 Ų53104.8 Ų104.844%0.43854%0.537SS..  trans-75.578.9174.400000111.1E30 N34 V35 E36E30-A32 PolarHBondContact O-N 2.95Å; A32-N34 PolarHBondContact O-N 3.23Å; A32-V35 HydrophobicContact CB-CB 3.93Å; A32-V35 HydrophobicContact CB-CG2 3.99Å; A32-V35 WeakPolarHBondContact O-CB 3.29Å; A32-V35 PolarHBondContact O-N 3.36Å; A32-V35 VanDerWaalsContact O-N 3.08Å; A32-E36 PolarHBondContact O-N 3.47Å
33S91.6Very high91.7Very high68 Ų68105.1 Ų105.148%0.47654%0.535SS..Hα-helixtrans-61.4-28.3-175.8-51.60000113.8K31 K37K31-S33 VanDerWaalsContact C-N 3.3Å; K31-S33 PolarHBondContact O-N 3.26Å; S33-K37 VanDerWaalsContact O-CG 3.3Å; S33-K37 WeakPolarHBondContact O-CG 3.22Å; S33-K37 PolarHBondContact O-N 3.45Å; S33-K37 VanDerWaalsContact O-N 3.13Å
34N93.8Very high91.9Very high107 Ų107101.5 Ų101.557%0.57251%0.513SS*.Hα-helixtrans-66.3-44174.170.5-29.2000111.3A32 K37 Q38A32-N34 PolarHBondContact O-N 3.23Å; N34-K37 PolarHBondContact O-N 2.9Å; N34-Q38 WeakPolarHBondContact O-CG 3.34Å; N34-Q38 PolarHBondContact O-N 3.11Å
35V92.3Very high92.1Very high65 Ų65102.7 Ų102.739%0.39453%0.527SS..Hα-helixtrans-65.1-43.9178.61730000109.6A32 K37 Q38 L39A32-V35 HydrophobicContact CB-CB 3.93Å; A32-V35 HydrophobicContact CB-CG2 3.99Å; A32-V35 WeakPolarHBondContact O-CB 3.29Å; A32-V35 PolarHBondContact O-N 3.36Å; A32-V35 VanDerWaalsContact O-N 3.08Å; V35-K37 VanDerWaalsContact C-N 3.33Å; V35-K37 PolarHBondContact O-N 3.15Å; V35-Q38 PolarHBondContact O-N 2.95Å; V35-L39 HydrophobicContact CG1-CD1 3.46Å; V35-L39 VanDerWaalsContact CG1-CD1 3.46Å; V35-L39 WeakPolarHBondContact O-CD1 3.32Å; V35-L39 PolarHBondContact O-N 3.34Å
36E90.4Very high92.4Very high102 Ų10299.6 Ų99.648%0.47751%0.51SS..Hα-helixtrans-59.3-42.1175.6-73-174.4145.300112.7A32 L39 S40A32-E36 PolarHBondContact O-N 3.47Å; E36-L39 PolarHBondContact O-N 2.99Å; E36-S40 WeakPolarHBondContact O-CB 3.34Å; E36-S40 PolarHBondContact O-N 3.17Å; E36-S40 PolarHBondContact O-OG 3.4Å
37K93Very high92.5Very high157 Ų157108.3 Ų108.368%0.68354%0.536SS*.Hα-helixtrans-63.4-44.3175-73.9175.9-176.4-179.10111.6S33 N34 V35 S40 S41S33-K37 VanDerWaalsContact O-CG 3.3Å; S33-K37 WeakPolarHBondContact O-CG 3.22Å; S33-K37 PolarHBondContact O-N 3.45Å; S33-K37 VanDerWaalsContact O-N 3.13Å; N34-K37 PolarHBondContact O-N 2.9Å; V35-K37 VanDerWaalsContact C-N 3.33Å; V35-K37 PolarHBondContact O-N 3.15Å; K37-S40 PolarHBondContact O-N 3.18Å; K37-S41 PolarHBondContact O-N 3.01Å; K37-S41 PolarHBondContact O-OG 3.37Å
38Q93.2Very high92.7Very high124 Ų12499.6 Ų99.658%0.57950%0.501SS*.Hα-helixtrans-63-41.9176.5-74.1-173.6-52.900112.4N34 V35 S40 S41 Y42N34-Q38 WeakPolarHBondContact O-CG 3.34Å; N34-Q38 PolarHBondContact O-N 3.11Å; V35-Q38 PolarHBondContact O-N 2.95Å; Q38-S40 PolarHBondContact O-N 3.33Å; Q38-S41 PolarHBondContact O-N 2.78Å; Q38-S41 PolarHBondContact O-OG 3.43Å; Q38-Y42 WeakPolarHBondContact O-CB 3.39Å; Q38-Y42 PolarHBondContact O-N 3.5Å; Q38-Y42 VanDerWaalsContact O-N 3.08Å
39L92.4Very high93Very high69 Ų6993.7 Ų93.736%0.36148%0.48SS..Hα-helixtrans-64.7-30.6175.7-91.482.9000112.6V35 E36 L55 A56V35-L39 HydrophobicContact CG1-CD1 3.46Å; V35-L39 VanDerWaalsContact CG1-CD1 3.46Å; V35-L39 WeakPolarHBondContact O-CD1 3.32Å; V35-L39 PolarHBondContact O-N 3.34Å; E36-L39 PolarHBondContact O-N 2.99Å; L39-L55 HydrophobicContact CB-CB 4.3Å; L39-L55 HydrophobicContact CG-CB 4.14Å; L39-L55 WeakPolarHBondContact O-CB 2.96Å; L39-L55 PolarHBondContact O-N 2.99Å; L39-L55 VanDerWaalsContact O-N 3.16Å; L39-A56 HydrophobicContact CB-CB 4.23Å; L39-A56 PolarHBondContact O-N 3.36Å
40S93.3Very high93.2Very high68 Ų6895.2 Ų95.248%0.47649%0.493SS..Hα-helixtrans-81.4-32.3-179.5-59.80000112.8E36 K37 Q38 T54E36-S40 WeakPolarHBondContact O-CB 3.34Å; E36-S40 PolarHBondContact O-N 3.17Å; E36-S40 PolarHBondContact O-OG 3.4Å; K37-S40 PolarHBondContact O-N 3.18Å; Q38-S40 PolarHBondContact O-N 3.33Å; S40-T54 VanDerWaalsContact O-CG2 3.31Å; S40-T54 WeakPolarHBondContact O-CG2 3.34Å
41S93.9Very high93.5Very high92 Ų9293.7 Ų93.764%0.64348%0.484SS*.Hα-helixtrans-81.5-37.9179.764.30000113K37 Q38K37-S41 PolarHBondContact O-N 3.01Å; K37-S41 PolarHBondContact O-OG 3.37Å; Q38-S41 PolarHBondContact O-N 2.78Å; Q38-S41 PolarHBondContact O-OG 3.43Å
42Y95.9Very high93.8Very high149 Ų14993.4 Ų93.458%0.58448%0.483SS*.  trans-79130-176.8-165.9-94.6000112Q38 A44 T54 L55Q38-Y42 WeakPolarHBondContact O-CB 3.39Å; Q38-Y42 PolarHBondContact O-N 3.5Å; Q38-Y42 VanDerWaalsContact O-N 3.08Å; Y42-A44 HydrophobicContact CE1-CB 4.22Å; Y42-T54 WeakPolarHBondContact O-CA 3.43Å; Y42-L55 HydrophobicContact CD1-CD1 3.6Å; Y42-L55 HydrophobicContact CD1-CD2 4.31Å; Y42-L55 HydrophobicContact CD1-CG 3.84Å; Y42-L55 HydrophobicContact CE1-CD1 4.47Å; Y42-L55 HydrophobicContact CG-CD1 4.24Å; Y42-L55 PolarHBondContact O-N 3.39Å
43K96.4Very high94Very high130 Ų13091.8 Ų91.857%0.56547%0.467SS*.EExtended strand (participates in β ladder)trans-111.8130.9176.6-64.8-179.6-176.2177.60109.9V53 T54K43-V53 WeakPolarHBondContact CA-O 3.42Å; K43-T54 HydrophobicContact CD-CG2 4.44Å; K43-T54 HydrophobicContact CG-CG2 3.8Å
44A94.6Very high94.2Very high19 Ų1989.9 Ų89.916%0.15745%0.453CS..EExtended strand (participates in β ladder)trans-121.6150.7174.700000110.3Y42 K52 V53 L55 M58Y42-A44 HydrophobicContact CE1-CB 4.22Å; A44-K52 WeakPolarHBondContact O-CA 3.14Å; A44-V53 PolarHBondContact N-O 3.28Å; A44-V53 PolarHBondContact O-N 3.08Å; A44-L55 HydrophobicContact CB-CD2 3.78Å; A44-M58 HydrophobicContact CB-CE 4.04Å; A44-M58 VanDerWaalsContact O-CE 3.29Å; A44-M58 WeakPolarHBondContact O-CE 3.25Å
45P96.4Very high94.2Very high81 Ų8188.1 Ų88.153%0.52644%0.443SS..EExtended strand (participates in β ladder)trans-69.9137.7171.729.6-33.1000110.7
46C95.1Very high94.2Very high2 Ų287.4 Ų87.41%0.01444%0.444CS..  trans-65136169173.70000110.5G48 S50 K51 M58 H61 V68C46-G48 VanDerWaalsContact C-N 3.27Å; C46-G48 PolarHBondContact O-N 3.27Å; C46-G48 PolarHBondContact SG-N 3.39Å; C46-S50 WeakPolarHBondContact O-CA 3.45Å; C46-S50 PolarHBondContact O-N 2.92Å; C46-K51 PolarHBondContact N-O 3.11Å; C46-M58 HydrophobicContact CB-SD 4.31Å; C46-H61 VanDerWaalsContact CB-NE2 3.28Å; C46-H61 WeakPolarHBondContact CB-NE2 3.48Å; C46-H61 PolarHBondContact SG-NE2 3.23Å; C46-V68 WeakPolarHBondContact SG-CG2 3.26Å
47R91.8Very high94.4Very high234 Ų23489.3 Ų89.388%0.88345%0.451SS*.THydrogen-bonded Turntrans-65.6-26.1-179.6-68.1-169.6-177.6-105.63.2114.3
48G92.1Very high94.4Very high10 Ų1083.4 Ų83.410%0.10343%0.426CS..THydrogen-bonded Turntrans-86.6-51.8177.800000112.9C46 K67C46-G48 VanDerWaalsContact C-N 3.27Å; C46-G48 PolarHBondContact O-N 3.27Å; C46-G48 PolarHBondContact SG-N 3.39Å; G48-K67 WeakPolarHBondContact O-CB 3.29Å; G48-K67 WeakPolarHBondContact O-CD 3.3Å
49C94.6Very high94.3Very high38 Ų3887 Ų8726%0.25743%0.434SS..THydrogen-bonded Turntrans-108.6-0.6-172.374.60000116.3K51 H61 C65 K67C49-K51 PolarHBondContact O-N 3.41Å; C49-K51 VanDerWaalsContact SG-CB 3.54Å; C49-H61 VanDerWaalsContact SG-CE1 3.51Å; C49-H61 PolarHBondContact SG-NE2 2.93Å; C49-C65 VanDerWaalsContact SG-SG 3.62Å; C49-K67 HydrophobicContact CB-CB 4.38Å; C49-K67 HydrophobicContact CB-CD 4Å; C49-K67 HydrophobicContact CB-CG 4.46Å
50S94.3Very high94.3Very high90 Ų9087.5 Ų87.563%0.62944%0.444SS*.  trans59.42.5-178.8-54.80000115.6C46 K52C46-S50 WeakPolarHBondContact O-CA 3.45Å; C46-S50 PolarHBondContact O-N 2.92Å; S50-K52 PolarHBondContact O-N 3.18Å
51K95.6Very high94.4Very high143 Ų14386 Ų8662%0.62243%0.429SS*.  trans-63131.1174.8-168.6173.4-175.8173.30109.5C46 C49 V53C46-K51 PolarHBondContact N-O 3.11Å; C49-K51 PolarHBondContact O-N 3.41Å; C49-K51 VanDerWaalsContact SG-CB 3.54Å; K51-V53 HydrophobicContact CG-CG2 4.46Å; K51-V53 PolarHBondContact O-N 2.83Å
52K96.6Very high94.4Very high161 Ų16184 Ų8470%0.741%0.413SS*.EExtended strand (participates in β ladder)trans-71.9116.7175.1-69-174.3179.7178.70109.7A44 S50A44-K52 WeakPolarHBondContact O-CA 3.14Å; S50-K52 PolarHBondContact O-N 3.18Å
53V96.3Very high94.2Very high19 Ų1980.7 Ų80.712%0.11541%0.411CS..EExtended strand (participates in β ladder)trans-125.4141.6179.3-174.20000108.6K43 A44 K51 K57 M58 H61K43-V53 WeakPolarHBondContact CA-O 3.42Å; A44-V53 PolarHBondContact N-O 3.28Å; A44-V53 PolarHBondContact O-N 3.08Å; K51-V53 HydrophobicContact CG-CG2 4.46Å; K51-V53 PolarHBondContact O-N 2.83Å; V53-K57 HydrophobicContact CG1-CB 3.98Å; V53-M58 HydrophobicContact CB-CE 3.97Å; V53-M58 HydrophobicContact CB-SD 4.17Å; V53-H61 HydrophobicContact CG1-CB 4.08Å; V53-H61 HydrophobicContact CG2-CB 4.33Å
54T96.3Very high94.1Very high28 Ų2878.8 Ų78.817%0.17241%0.414CS..EExtended strand (participates in β ladder)trans-61.4140172.951.70000109.8S40 Y42 K43 A56 K57 M58S40-T54 VanDerWaalsContact O-CG2 3.31Å; S40-T54 WeakPolarHBondContact O-CG2 3.34Å; Y42-T54 WeakPolarHBondContact O-CA 3.43Å; K43-T54 HydrophobicContact CD-CG2 4.44Å; K43-T54 HydrophobicContact CG-CG2 3.8Å; T54-A56 PolarHBondContact O-N 3.38Å; T54-A56 VanDerWaalsContact O-N 3.15Å; T54-K57 PolarHBondContact O-N 3.35Å; T54-M58 PolarHBondContact O-N 3.01Å; T54-M58 VanDerWaalsContact O-N 3.11Å
55L93.6Very high94.1Very high69 Ų6978.3 Ų78.336%0.36141%0.41SS..Hα-helixtrans-55.9-37.3-178.1-64.4-179.9000112.5L39 Y42 A44 K57 M58L39-L55 HydrophobicContact CB-CB 4.3Å; L39-L55 HydrophobicContact CG-CB 4.14Å; L39-L55 WeakPolarHBondContact O-CB 2.96Å; L39-L55 PolarHBondContact O-N 2.99Å; L39-L55 VanDerWaalsContact O-N 3.16Å; Y42-L55 HydrophobicContact CD1-CD1 3.6Å; Y42-L55 HydrophobicContact CD1-CD2 4.31Å; Y42-L55 HydrophobicContact CD1-CG 3.84Å; Y42-L55 HydrophobicContact CE1-CD1 4.47Å; Y42-L55 HydrophobicContact CG-CD1 4.24Å; Y42-L55 PolarHBondContact O-N 3.39Å; A44-L55 HydrophobicContact CB-CD2 3.78Å; L55-K57 PolarHBondContact O-N 2.99Å; L55-K57 VanDerWaalsContact O-N 3.17Å; L55-M58 WeakPolarHBondContact O-CB 3.28Å; L55-M58 PolarHBondContact O-N 3.41Å
56A92.7Very high94Very high50 Ų5077.7 Ų77.741%0.41341%0.412SS..Hα-helixtrans-56-30.6175.300000114L39 T54L39-A56 HydrophobicContact CB-CB 4.23Å; L39-A56 PolarHBondContact O-N 3.36Å; T54-A56 PolarHBondContact O-N 3.38Å; T54-A56 VanDerWaalsContact O-N 3.15Å
57K93.5Very high93.9Very high143 Ų14383.2 Ų83.262%0.62244%0.436SS*.Hα-helixtrans-105.4-2.7-177.9-62.9-174.8178.2-176.60113.4V53 T54 L55 R59 S60 H61V53-K57 HydrophobicContact CG1-CB 3.98Å; T54-K57 PolarHBondContact O-N 3.35Å; L55-K57 PolarHBondContact O-N 2.99Å; L55-K57 VanDerWaalsContact O-N 3.17Å; K57-R59 VanDerWaalsContact C-N 3.3Å; K57-R59 PolarHBondContact O-N 2.06Å; K57-S60 PolarHBondContact O-N 3.02Å; K57-H61 WeakPolarHBondContact O-CB 3.48Å; K57-H61 PolarHBondContact O-N 3.49Å
58M94.9Very high93.8Very high33 Ų3372.8 Ų72.816%0.16340%0.398CS..Hα-helixtrans-61.6-38.7-174.4-172.865.277.400111.8A44 C46 V53 T54 L55 H61 V62A44-M58 HydrophobicContact CB-CE 4.04Å; A44-M58 VanDerWaalsContact O-CE 3.29Å; A44-M58 WeakPolarHBondContact O-CE 3.25Å; C46-M58 HydrophobicContact CB-SD 4.31Å; V53-M58 HydrophobicContact CB-CE 3.97Å; V53-M58 HydrophobicContact CB-SD 4.17Å; T54-M58 PolarHBondContact O-N 3.01Å; T54-M58 VanDerWaalsContact O-N 3.11Å; L55-M58 WeakPolarHBondContact O-CB 3.28Å; L55-M58 PolarHBondContact O-N 3.41Å; M58-H61 PolarHBondContact O-N 3.16Å; M58-V62 HydrophobicContact CG-CG2 4.31Å; M58-V62 WeakPolarHBondContact O-CB 3.4Å; M58-V62 VanDerWaalsContact O-CG2 3.3Å; M58-V62 WeakPolarHBondContact O-CG2 3.41Å; M58-V62 PolarHBondContact O-N 3.13Å; M58-V62 HydrophobicContact SD-CG2 4.4Å
59R90.9Very high93.7Very high198 Ų19877 Ų7775%0.74742%0.415SS*.Hα-helixtrans-60.5-51178.2-175-180-67.8-94.1-0.6111.9K57 H61 V62 S63K57-R59 VanDerWaalsContact C-N 3.3Å; K57-R59 PolarHBondContact O-N 2.06Å; R59-H61 VanDerWaalsContact C-N 3.3Å; R59-H61 PolarHBondContact O-N 2.9Å; R59-V62 PolarHBondContact O-N 2.9Å; R59-S63 PolarHBondContact O-N 2.85Å; R59-S63 VanDerWaalsContact O-N 3.08Å; R59-S63 PolarHBondContact O-OG 2.88Å
60S92.2Very high93.5Very high81 Ų8181 Ų8157%0.56643%0.43SS*.Hα-helixtrans-64.7-34.5177.6-49.60000112.4K57 S63 S64K57-S60 PolarHBondContact O-N 3.02Å; S60-S63 WeakPolarHBondContact CA-OG 3.15Å; S60-S63 PolarHBondContact O-OG 2.88Å; S60-S64 PolarHBondContact O-OG 3.31Å
61H95.1Very high93Very high35 Ų3581.6 Ų81.616%0.16242%0.423CS..Hα-helixtrans-65.7-47.2173.1170.668.9000111.9C46 C49 V53 K57 M58 R59 S63 S64 C65C46-H61 VanDerWaalsContact CB-NE2 3.28Å; C46-H61 WeakPolarHBondContact CB-NE2 3.48Å; C46-H61 PolarHBondContact SG-NE2 3.23Å; C49-H61 VanDerWaalsContact SG-CE1 3.51Å; C49-H61 PolarHBondContact SG-NE2 2.93Å; V53-H61 HydrophobicContact CG1-CB 4.08Å; V53-H61 HydrophobicContact CG2-CB 4.33Å; K57-H61 WeakPolarHBondContact O-CB 3.48Å; K57-H61 PolarHBondContact O-N 3.49Å; M58-H61 PolarHBondContact O-N 3.16Å; R59-H61 VanDerWaalsContact C-N 3.3Å; R59-H61 PolarHBondContact O-N 2.9Å; H61-S63 VanDerWaalsContact C-N 3.3Å; H61-S63 PolarHBondContact O-N 3.19Å; H61-S64 CarbonylContact O-C 3.47Å; H61-S64 PolarHBondContact O-N 3.32Å; H61-S64 VanDerWaalsContact O-N 3.11Å; H61-S64 PolarHBondContact O-OG 3.46Å; H61-C65 WeakPolarHBondContact O-CB 3.49Å; H61-C65 PolarHBondContact O-N 2.91Å
62V93.3Very high92.3Very high50 Ų5080.6 Ų80.630%0.30342%0.422SS..Hα-helixtrans-59.2-42.1-1801610000111M58 R59 S64 C65 V68M58-V62 HydrophobicContact CG-CG2 4.31Å; M58-V62 WeakPolarHBondContact O-CB 3.4Å; M58-V62 VanDerWaalsContact O-CG2 3.3Å; M58-V62 WeakPolarHBondContact O-CG2 3.41Å; M58-V62 PolarHBondContact O-N 3.13Å; M58-V62 HydrophobicContact SD-CG2 4.4Å; R59-V62 PolarHBondContact O-N 2.9Å; V62-S64 PolarHBondContact O-N 3.48Å; V62-C65 PolarHBondContact O-N 3.3Å; V62-V68 HydrophobicContact CG1-CG1 3.86Å
63S91.2Very high91.5Very high80 Ų8075.7 Ų75.756%0.55941%0.412SS*.Hα-helixtrans-61.4-24.817850.90000113.9R59 S60 H61 Q69R59-S63 PolarHBondContact O-N 2.85Å; R59-S63 VanDerWaalsContact O-N 3.08Å; R59-S63 PolarHBondContact O-OG 2.88Å; S60-S63 WeakPolarHBondContact CA-OG 3.15Å; S60-S63 PolarHBondContact O-OG 2.88Å; H61-S63 VanDerWaalsContact C-N 3.3Å; H61-S63 PolarHBondContact O-N 3.19Å; S63-Q69 PolarHBondContact O-NE2 2.97Å
64S94.2Very high90.5Very high90 Ų9080.8 Ų80.863%0.62944%0.438SS*.THydrogen-bonded Turntrans-114.79.1-179.975.50000113.8S60 H61 V62S60-S64 PolarHBondContact O-OG 3.31Å; H61-S64 CarbonylContact O-C 3.47Å; H61-S64 PolarHBondContact O-N 3.32Å; H61-S64 VanDerWaalsContact O-N 3.11Å; H61-S64 PolarHBondContact O-OG 3.46Å; V62-S64 PolarHBondContact O-N 3.48Å
65C95.6Very high89.2Confident9 Ų983.3 Ų83.36%0.06146%0.456CS..  trans-90.6108-176.6-177.30000110.2C49 H61 V62 K67 V68 Q69C49-C65 VanDerWaalsContact SG-SG 3.62Å; H61-C65 WeakPolarHBondContact O-CB 3.49Å; H61-C65 PolarHBondContact O-N 2.91Å; V62-C65 PolarHBondContact O-N 3.3Å; C65-K67 VanDerWaalsContact C-N 3.31Å; C65-K67 PolarHBondContact O-N 2.89Å; C65-V68 HydrophobicContact CB-CB 4.04Å; C65-V68 HydrophobicContact CB-CG2 3.91Å; C65-V68 PolarHBondContact O-N 2.82Å; C65-Q69 WeakPolarHBondContact O-CG 3.24Å; C65-Q69 PolarHBondContact O-N 3.28Å
66A94.2Very high88.1Confident69 Ų6985.7 Ų85.757%0.5748%0.476SS*.Hα-helixtrans-51.2-45.9-178.800000113.3V68 Q69 E70A66-V68 VanDerWaalsContact C-N 3.31Å; A66-V68 PolarHBondContact O-N 3.26Å; A66-Q69 PolarHBondContact O-N 3.25Å; A66-E70 WeakPolarHBondContact O-CB 3.19Å; A66-E70 PolarHBondContact O-N 3.39Å
67K93.1Very high86.7Confident117 Ų11790.8 Ų90.851%0.50949%0.488SS..Hα-helixtrans-65.4-31.6178.9-67.1-170178.6-172.40113.5G48 C49 C65 Q71G48-K67 WeakPolarHBondContact O-CB 3.29Å; G48-K67 WeakPolarHBondContact O-CD 3.3Å; C49-K67 HydrophobicContact CB-CB 4.38Å; C49-K67 HydrophobicContact CB-CD 4Å; C49-K67 HydrophobicContact CB-CG 4.46Å; C65-K67 VanDerWaalsContact C-N 3.31Å; C65-K67 PolarHBondContact O-N 2.89Å; K67-Q71 VanDerWaalsContact O-CG 3.24Å; K67-Q71 WeakPolarHBondContact O-CG 3.41Å; K67-Q71 PolarHBondContact O-N 3Å
68V90.6Very high84.7Confident15 Ų1594.1 Ų94.19%0.09150%0.503CS..Hα-helixtrans-75.8-41.7175179.20000110.3C46 V62 C65 A66 E70 Q71 M72C46-V68 WeakPolarHBondContact SG-CG2 3.26Å; V62-V68 HydrophobicContact CG1-CG1 3.86Å; C65-V68 HydrophobicContact CB-CB 4.04Å; C65-V68 HydrophobicContact CB-CG2 3.91Å; C65-V68 PolarHBondContact O-N 2.82Å; A66-V68 VanDerWaalsContact C-N 3.31Å; A66-V68 PolarHBondContact O-N 3.26Å; V68-E70 VanDerWaalsContact C-N 3.31Å; V68-E70 PolarHBondContact O-N 3.21Å; V68-Q71 PolarHBondContact O-N 3.16Å; V68-M72 HydrophobicContact CG1-CG 4.28Å; V68-M72 HydrophobicContact CG1-SD 3.94Å; V68-M72 VanDerWaalsContact O-CG 3.26Å; V68-M72 WeakPolarHBondContact O-CG 3.43Å; V68-M72 PolarHBondContact O-N 3.03Å
69Q90.1Very high82.8Confident100 Ų10097.5 Ų97.547%0.46753%0.525SS..Hα-helixtrans-60.2-41.9176-69.6176.7-18.600111.8S63 C65 A66 M72 A73S63-Q69 PolarHBondContact O-NE2 2.97Å; C65-Q69 WeakPolarHBondContact O-CG 3.24Å; C65-Q69 PolarHBondContact O-N 3.28Å; A66-Q69 PolarHBondContact O-N 3.25Å; Q69-M72 PolarHBondContact O-N 3.12Å; Q69-A73 WeakPolarHBondContact O-CB 3.49Å; Q69-A73 PolarHBondContact O-N 3.43Å
70E88.8Confident81.2Confident120 Ų12092 Ų9256%0.56152%0.515SS*.Hα-helixtrans-61.5-46.7174.4-174.9-176.5179.900111.8A66 V68 M72 A73 N74A66-E70 WeakPolarHBondContact O-CB 3.19Å; A66-E70 PolarHBondContact O-N 3.39Å; V68-E70 VanDerWaalsContact C-N 3.31Å; V68-E70 PolarHBondContact O-N 3.21Å; E70-M72 VanDerWaalsContact C-N 3.31Å; E70-M72 PolarHBondContact O-N 2.74Å; E70-A73 WeakPolarHBondContact O-CB 3.17Å; E70-A73 PolarHBondContact O-N 3.36Å; E70-A73 VanDerWaalsContact O-N 3.16Å; E70-N74 PolarHBondContact O-N 2.88Å; E70-N74 PolarHBondContact O-ND2 3.36Å
71Q83.6Confident79.6Confident104 Ų10495.4 Ų95.449%0.48653%0.532SS..Hα-helixtrans-60.4-39.4174.6-74.9174.3-4.800112.5K67 V68 A73 N74 C75K67-Q71 VanDerWaalsContact O-CG 3.24Å; K67-Q71 WeakPolarHBondContact O-CG 3.41Å; K67-Q71 PolarHBondContact O-N 3Å; V68-Q71 PolarHBondContact O-N 3.16Å; Q71-A73 VanDerWaalsContact C-N 3.35Å; Q71-N74 PolarHBondContact O-N 3.01Å; Q71-C75 PolarHBondContact O-N 2.81Å; Q71-C75 VanDerWaalsContact O-N 3.16Å
72M80.8Confident77.6Confident121 Ų12198.3 Ų98.360%0.59655%0.553SS**Hα-helixtrans-69.4-33.1176.2-68.8175.684.200112.2V68 Q69 E70 C75V68-M72 HydrophobicContact CG1-CG 4.28Å; V68-M72 HydrophobicContact CG1-SD 3.94Å; V68-M72 VanDerWaalsContact O-CG 3.26Å; V68-M72 WeakPolarHBondContact O-CG 3.43Å; V68-M72 PolarHBondContact O-N 3.03Å; Q69-M72 PolarHBondContact O-N 3.12Å; E70-M72 VanDerWaalsContact C-N 3.31Å; E70-M72 PolarHBondContact O-N 2.74Å; M72-C75 PolarHBondContact O-N 3.45Å
73A80.1Confident75.4Confident59 Ų59101.8 Ų101.849%0.48858%0.576SS.*Hα-helixtrans-69.5-34.1175.300000112.5Q69 E70 Q71 C75Q69-A73 WeakPolarHBondContact O-CB 3.49Å; Q69-A73 PolarHBondContact O-N 3.43Å; E70-A73 WeakPolarHBondContact O-CB 3.17Å; E70-A73 PolarHBondContact O-N 3.36Å; E70-A73 VanDerWaalsContact O-N 3.16Å; Q71-A73 VanDerWaalsContact C-N 3.35Å; A73-C75 VanDerWaalsContact C-N 3.34Å
74N75.3Confident73.6Confident126 Ų126101.5 Ų101.567%0.67457%0.571SS**Hα-helixtrans-82.2-10.1177.2-69.9-26.9000113.7E70 Q71E70-N74 PolarHBondContact O-N 2.88Å; E70-N74 PolarHBondContact O-ND2 3.36Å; Q71-N74 PolarHBondContact O-N 3.01Å
75C68.8Low71.6Confident80 Ų80103.3 Ų103.354%0.54158%0.584SS.*SBendtrans-71.9137.6172.3-1460000108.6Q71 M72 A73 K77Q71-C75 PolarHBondContact O-N 2.81Å; Q71-C75 VanDerWaalsContact O-N 3.16Å; M72-C75 PolarHBondContact O-N 3.45Å; A73-C75 VanDerWaalsContact C-N 3.34Å; C75-K77 PolarHBondContact O-N 3.43Å
76P71.4Confident69.5Low120 Ų120109.6 Ų109.678%0.77961%0.612SS**  trans-55.4108.6175.8-19.730000108.6F78P76-F78 PolarHBondContact O-N 3.16Å; P76-F78 VanDerWaalsContact O-N 3.13Å
77K63.4Low67.3Low156 Ų156111.4 Ų111.468%0.67862%0.618SS**  trans-66.1117.9169.8-69.4179.7-174.7171.90104.9C75 V79C75-K77 PolarHBondContact O-N 3.43Å; K77-V79 HydrophobicContact CB-CG2 4.01Å; K77-V79 PolarHBondContact O-N 3.46Å
78F51.9Low65.3Low213 Ų213113.2 Ų113.293%0.93463%0.632SS**  trans-6888.4168.7-136.8-88.8000106.3P76P76-F78 PolarHBondContact O-N 3.16Å; P76-F78 VanDerWaalsContact O-N 3.13Å
79V55.2Low63.3Low104 Ų104116 Ų11663%0.6365%0.65SS**  trans-86.3124.5170.3-169.30000104.5K77 V81K77-V79 HydrophobicContact CB-CG2 4.01Å; K77-V79 PolarHBondContact O-N 3.46Å; V79-V81 PolarHBondContact O-N 3.13Å
80P55.6Low61.7Low83 Ų83117.2 Ų117.254%0.53967%0.669SS.*  trans-47.7132.6168.8-2634.7000108.9V82P80-V82 WeakPolarHBondContact CB-O 3.43Å; P80-V82 PolarHBondContact O-N 3.16Å
81V59.6Low60.1Low152 Ų152118.5 Ų118.592%0.92168%0.68SS**SBendtrans-56.4-16.3-175176.80000112.2V79V79-V81 PolarHBondContact O-N 3.13Å
82V52.3Low59.1Low97 Ų97118 Ų11859%0.58868%0.68SS**SBendtrans-134.5137.7171.9-171.90000108.3P80 T84P80-V82 WeakPolarHBondContact CB-O 3.43Å; P80-V82 PolarHBondContact O-N 3.16Å; V82-T84 PolarHBondContact O-N 3.4Å
83P48.3Very low58.6Low123 Ų123115.1 Ų115.180%0.79967%0.67SS**  trans-5993.8163.8-14.427.7000107.6S85P83-S85 PolarHBondContact O-N 2.85Å
84T51.9Low58.5Low74 Ų74116.7 Ų116.745%0.45467%0.67SS.*  trans-77.2119.2177.4-159.30000106.8V82 Q86V82-T84 PolarHBondContact O-N 3.4Å; T84-Q86 HydrophobicContact CG2-CB 3.87Å; T84-Q86 PolarHBondContact O-N 3.19Å; T84-Q86 VanDerWaalsContact OG1-CB 3.26Å; T84-Q86 WeakPolarHBondContact OG1-CB 3.12Å; T84-Q86 WeakPolarHBondContact OG1-CG 3.2Å; T84-Q86 PolarHBondContact OG1-N 3.25Å; T84-Q86 PolarHBondContact OG1-OE1 2.78Å
85S53.5Low58.8Low127 Ų127113 Ų11389%0.88865%0.647SS**  trans-66.1-3.9164.6-42.80000111.2P83 P87P83-S85 PolarHBondContact O-N 2.85Å; S85-P87 WeakPolarHBondContact O-CD 3.26Å
86Q50.1Low59.5Low142 Ų142113.1 Ų113.166%0.66465%0.649SS**SBendtrans-64121.3174.5-66.8-180-38.200108.5T84 I88T84-Q86 HydrophobicContact CG2-CB 3.87Å; T84-Q86 PolarHBondContact O-N 3.19Å; T84-Q86 VanDerWaalsContact OG1-CB 3.26Å; T84-Q86 WeakPolarHBondContact OG1-CB 3.12Å; T84-Q86 WeakPolarHBondContact OG1-CG 3.2Å; T84-Q86 PolarHBondContact OG1-N 3.25Å; T84-Q86 PolarHBondContact OG1-OE1 2.78Å; Q86-I88 PolarHBondContact O-N 3.32Å
87P50Low60.4Low106 Ų106109.9 Ų109.969%0.68863%0.627SS**  trans-54.2143.617222.8-31.2000108.4S85 P89S85-P87 WeakPolarHBondContact O-CD 3.26Å; P87-P89 WeakPolarHBondContact O-CD 3.4Å
88I51Low61.7Low156 Ų156103 Ų10380%0.860%0.597SS**  trans-49.1114.5167.9-59.4170.4000105Q86 S90Q86-I88 PolarHBondContact O-N 3.32Å; I88-S90 PolarHBondContact O-N 2.76Å
89P48.6Very low63.7Low73 Ų7396 Ų9647%0.47457%0.571SS.*  trans-74.891.9-174.6-3.416.8000106.9P87 N91 I92P87-P89 WeakPolarHBondContact O-CD 3.4Å; P89-N91 PolarHBondContact O-N 2.88Å; P89-N91 VanDerWaalsContact O-N 3.12Å; P89-I92 HydrophobicContact CB-CB 3.59Å; P89-I92 HydrophobicContact CB-CD1 3.33Å; P89-I92 HydrophobicContact CB-CG1 3.32Å; P89-I92 HydrophobicContact CG-CB 4.43Å; P89-I92 HydrophobicContact CG-CD1 3.87Å; P89-I92 HydrophobicContact CG-CG1 4.31Å
90S54.8Low65.5Low125 Ų12591 Ų9187%0.87454%0.541SS*.THydrogen-bonded Turntrans-66.8-8.917850.70000111.9I88I88-S90 PolarHBondContact O-N 2.76Å
91N56.6Low67.3Low148 Ų14889.3 Ų89.379%0.79153%0.53SS*.THydrogen-bonded Turntrans-1336.6-175.8-142.3-18.4000114.5P89P89-N91 PolarHBondContact O-N 2.88Å; P89-N91 VanDerWaalsContact O-N 3.12Å
92I61.5Low68.9Low94 Ų9484 Ų8448%0.48249%0.494SS..SBendtrans-92.1122.3174.3-54.2179000108.3P89 N94P89-I92 HydrophobicContact CB-CB 3.59Å; P89-I92 HydrophobicContact CB-CD1 3.33Å; P89-I92 HydrophobicContact CB-CG1 3.32Å; P89-I92 HydrophobicContact CG-CB 4.43Å; P89-I92 HydrophobicContact CG-CD1 3.87Å; P89-I92 HydrophobicContact CG-CG1 4.31Å; I92-N94 PolarHBondContact O-N 3.24Å
93P71.2Confident70.8Confident60 Ų6082.9 Ų82.939%0.3949%0.489SS..PPolyproline II helixtrans-55.8140173.8-20.630.7000110.6R95 A135P93-R95 PolarHBondContact O-N 3.2Å; P93-R95 VanDerWaalsContact O-N 3.14Å; P93-A135 HydrophobicContact CB-CB 4.35Å
94N77.2Confident72.9Confident91 Ų9178.9 Ų78.949%0.48747%0.471SS..PPolyproline II helixtrans-63.1116.4170.3177.223.8000109.5I92 S96 T97I92-N94 PolarHBondContact O-N 3.24Å; N94-S96 PolarHBondContact OD1-N 3.2Å; N94-T97 PolarHBondContact ND2-O 3.38Å; N94-T97 PolarHBondContact ND2-OG1 2.8Å; N94-T97 PolarHBondContact OD1-N 2.86Å
95R82.9Confident74.8Confident49 Ų4976.9 Ų76.919%0.18546%0.461CS..  trans-110.8-0.9179.7-68.7170.8-171.1149.43.5113.1P93 F98 A135P93-R95 PolarHBondContact O-N 3.2Å; P93-R95 VanDerWaalsContact O-N 3.14Å; R95-F98 WeakPolarHBondContact O-CZ 3.41Å; R95-A135 HydrophobicContact CG-CB 3.88Å; R95-A135 PolarHBondContact NE-O 2.98Å
96S82.1Confident76.6Confident83 Ų8379.7 Ų79.758%0.5845%0.453SS*.SBendtrans-100.1-31.4-173.4-460000112.4N94N94-S96 PolarHBondContact OD1-N 3.2Å
97T89.9Confident78.6Confident51 Ų5178.8 Ų78.831%0.31345%0.452SS..  trans-135.2144.7178.659.20000111.9N94 L108N94-T97 PolarHBondContact ND2-O 3.38Å; N94-T97 PolarHBondContact ND2-OG1 2.8Å; N94-T97 PolarHBondContact OD1-N 2.86Å; T97-L108 CarbonylContact C-O 3.52Å; T97-L108 WeakPolarHBondContact CA-O 3.18Å
98F91.7Very high80.6Confident13 Ų1374.9 Ų74.96%0.05743%0.425CS..BIsolated β-bridgetrans-128.1160.9-170.7-56.4-74000111R95 N107 L108 Q110 L113 P131 V132 A135R95-F98 WeakPolarHBondContact O-CZ 3.41Å; F98-N107 PolarHBondContact O-N 3.41Å; F98-L108 PolarHBondContact N-O 3.23Å; F98-L108 PolarHBondContact O-N 3.19Å; F98-Q110 HydrophobicContact CE2-CB 4.16Å; F98-L113 HydrophobicContact CB-CD2 3.98Å; F98-L113 HydrophobicContact CG-CD2 4.36Å; F98-P131 HydrophobicContact CB-CB 4.21Å; F98-P131 HydrophobicContact CB-CG 4.11Å; F98-P131 HydrophobicContact CD1-CB 4.04Å; F98-P131 HydrophobicContact CD1-CG 4.46Å; F98-P131 HydrophobicContact CG-CB 4.5Å; F98-V132 HydrophobicContact CD1-CG2 4.2Å; F98-V132 HydrophobicContact CD2-CG2 4.09Å; F98-V132 HydrophobicContact CE1-CB 4.24Å; F98-V132 HydrophobicContact CE1-CG1 4.43Å; F98-V132 HydrophobicContact CE1-CG2 4.07Å; F98-V132 HydrophobicContact CE2-CG2 3.95Å; F98-V132 HydrophobicContact CG-CG2 4.21Å; F98-V132 HydrophobicContact CZ-CB 4.22Å; F98-V132 HydrophobicContact CZ-CG1 4.01Å; F98-V132 HydrophobicContact CZ-CG2 3.93Å; F98-A135 HydrophobicContact CE1-CB 4.22Å
99V93.3Very high82.4Confident64 Ų6470.5 Ų70.539%0.38840%0.403SS..  trans-105.9128.3171.8-178.90000107.9P101 A105 R106V99-P101 WeakPolarHBondContact O-CD 3.5Å; V99-A105 CarbonylContact C-O 3.48Å; V99-A105 VanDerWaalsContact CA-O 3.26Å; V99-A105 WeakPolarHBondContact CA-O 3.49Å; V99-R106 HydrophobicContact CG1-CG 4.36Å; V99-R106 HydrophobicContact CG2-CB 4.37Å; V99-R106 HydrophobicContact CG2-CG 4.2Å
100C94.2Very high84.3Confident1 Ų168.2 Ų68.21%0.00739%0.387CS..  trans-60.3120.4173.9177.80000109.3Y102 G104 A105 L108 L113 H116C100-Y102 PolarHBondContact O-N 3.13Å; C100-G104 VanDerWaalsContact O-CA 3.26Å; C100-G104 WeakPolarHBondContact O-CA 3.39Å; C100-G104 PolarHBondContact O-N 3.14Å; C100-A105 HydrophobicContact CB-CB 3.99Å; C100-A105 PolarHBondContact N-O 3.04Å; C100-L108 HydrophobicContact CB-CD1 3.96Å; C100-L113 HydrophobicContact CB-CD1 4.12Å; C100-H116 VanDerWaalsContact SG-CD2 3.52Å; C100-H116 PolarHBondContact SG-NE2 2.97Å; C100-H116 VanDerWaalsContact SG-NE2 3.44Å
101P92.9Very high85.9Confident46 Ų4669.7 Ų69.730%0.29938%0.38SS..THydrogen-bonded Turntrans-76.7-11.5-174.233.6-38.8000113.3V99 V128 F148V99-P101 WeakPolarHBondContact O-CD 3.5Å; P101-V128 HydrophobicContact CB-CB 3.77Å; P101-V128 HydrophobicContact CB-CG1 4.07Å; P101-V128 HydrophobicContact CB-CG2 4.2Å; P101-V128 HydrophobicContact CG-CB 3.87Å; P101-V128 HydrophobicContact CG-CG1 4.34Å; P101-V128 HydrophobicContact CG-CG2 3.7Å; P101-F148 HydrophobicContact CG-CD1 4.27Å; P101-F148 HydrophobicContact CG-CE1 3.75Å; P101-F148 HydrophobicContact CG-CZ 3.89Å
102Y91.9Very high87.6Confident42 Ų4267.1 Ų67.117%0.16536%0.363CS..THydrogen-bonded Turntrans-82.3-50.4174.6-65.2-63.1000112.7C100 H121 D124 N126 V128 F148C100-Y102 PolarHBondContact O-N 3.13Å; Y102-H121 HydrophobicContact CD2-CB 3.6Å; Y102-H121 AromaticContact CD2-CD2 3.8Å; Y102-H121 AromaticContact CD2-CG 3.59Å; Y102-H121 HydrophobicContact CE2-CB 3.85Å; Y102-H121 HydrophobicContact CG-CB 4.18Å; Y102-H121 AromaticContact CG-CG 3.89Å; Y102-D124 HydrophobicContact CD1-CB 4.08Å; Y102-D124 HydrophobicContact CE1-CB 3.86Å; Y102-N126 HydrophobicContact CD1-CB 4.38Å; Y102-N126 HydrophobicContact CE1-CB 4.2Å; Y102-N126 WeakPolarHBondContact CE1-O 3.37Å; Y102-V128 HydrophobicContact CD1-CG1 3.83Å; Y102-V128 HydrophobicContact CE1-CG1 3.79Å; Y102-V128 HydrophobicContact CE1-CG2 3.91Å; Y102-V128 HydrophobicContact CE2-CG2 4.41Å; Y102-F148 HydrophobicContact CD2-CD1 4.3Å; Y102-F148 HydrophobicContact CD2-CE1 4.41Å; Y102-F148 AromaticContact CE2-CD1 3.42Å; Y102-F148 HydrophobicContact CE2-CD1 3.42Å; Y102-F148 VanDerWaalsContact CE2-CD1 3.42Å; Y102-F148 AromaticContact CE2-CE1 3.91Å; Y102-F148 HydrophobicContact CE2-CE1 3.91Å; Y102-F148 AromaticContact CZ-CD1 3.76Å
103C93Very high89.1Confident72 Ų7262.6 Ų62.649%0.48634%0.34SS..THydrogen-bonded Turntrans-119.5-4.6-170.267.90000114.9A105 H116 H121C103-A105 VanDerWaalsContact C-N 3.3Å; C103-A105 PolarHBondContact O-N 2.82Å; C103-H116 PolarHBondContact SG-NE2 2.9Å; C103-H121 PolarHBondContact SG-NE2 3.49Å
104G91.8Very high90.1Very high40 Ų4060.7 Ų60.741%0.41233%0.327SS..  trans76.110.1179.900000115.2C100 R106C100-G104 VanDerWaalsContact O-CA 3.26Å; C100-G104 WeakPolarHBondContact O-CA 3.39Å; C100-G104 PolarHBondContact O-N 3.14Å; G104-R106 WeakPolarHBondContact O-CG 3.26Å; G104-R106 PolarHBondContact O-N 3.18Å
105A92.3Very high90.8Very high31 Ų3162.1 Ų62.126%0.25633%0.329SS..  trans-54.7131.9170.500000110V99 C100 C103 L108V99-A105 CarbonylContact C-O 3.48Å; V99-A105 VanDerWaalsContact CA-O 3.26Å; V99-A105 WeakPolarHBondContact CA-O 3.49Å; C100-A105 HydrophobicContact CB-CB 3.99Å; C100-A105 PolarHBondContact N-O 3.04Å; C103-A105 VanDerWaalsContact C-N 3.3Å; C103-A105 PolarHBondContact O-N 2.82Å; A105-L108 HydrophobicContact CB-CD1 4.06Å
106R92.6Very high91.4Very high187 Ų18761.3 Ų61.371%0.70633%0.327SS*.  trans-113.1167-169.2-48.1178.696.5162.94.7110.6V99 G104 L108V99-R106 HydrophobicContact CG1-CG 4.36Å; V99-R106 HydrophobicContact CG2-CB 4.37Å; V99-R106 HydrophobicContact CG2-CG 4.2Å; G104-R106 WeakPolarHBondContact O-CG 3.26Å; G104-R106 PolarHBondContact O-N 3.18Å; R106-L108 PolarHBondContact O-N 2.94Å
107N91Very high91.9Very high123 Ų12357.4 Ų57.466%0.65830%0.299SS*.SBendtrans61.829.7174.6-47-45.1000113.4F98F98-N107 PolarHBondContact O-N 3.41Å
108L91.5Very high92Very high23 Ų2359 Ų5912%0.1230%0.304CS..BIsolated β-bridgetrans-86.9124175.3-60.9170.3000107.9T97 F98 C100 A105 R106 E112 L113 H116T97-L108 CarbonylContact C-O 3.52Å; T97-L108 WeakPolarHBondContact CA-O 3.18Å; F98-L108 PolarHBondContact N-O 3.23Å; F98-L108 PolarHBondContact O-N 3.19Å; C100-L108 HydrophobicContact CB-CD1 3.96Å; A105-L108 HydrophobicContact CB-CD1 4.06Å; R106-L108 PolarHBondContact O-N 2.94Å; L108-E112 HydrophobicContact CB-CB 4.2Å; L108-E112 HydrophobicContact CD2-CB 4.1Å; L108-L113 HydrophobicContact CB-CB 4.15Å; L108-L113 HydrophobicContact CD1-CD1 3.88Å; L108-H116 HydrophobicContact CD1-CB 4.17Å
109D89.9Confident92.1Very high64 Ų6464.5 Ų64.534%0.34233%0.33SS..  trans-64.9176.2165.27438.2000111.1Q111 E112 L113D109-Q111 VanDerWaalsContact C-N 3.28Å; D109-Q111 PolarHBondContact O-N 3.31Å; D109-Q111 WeakPolarHBondContact OD1-CA 3.4Å; D109-Q111 WeakPolarHBondContact OD1-CB 3.46Å; D109-Q111 PolarHBondContact OD1-N 3.44Å; D109-E112 PolarHBondContact N-OE2 2.76Å; D109-E112 PolarHBondContact O-N 3.5Å; D109-E112 WeakPolarHBondContact OD1-CB 3.26Å; D109-E112 WeakPolarHBondContact OD1-CG 3.44Å; D109-E112 PolarHBondContact OD1-N 3.22Å; D109-L113 VanDerWaalsContact O-CB 3.25Å; D109-L113 WeakPolarHBondContact O-CB 3.42Å; D109-L113 PolarHBondContact O-N 3.12Å
110Q88.1Confident92.1Very high26 Ų2666 Ų6612%0.12134%0.336CS..Hα-helixtrans-57.1-42.1-179.3-175.6-173.280.200112.3F98 L113 V114 H156 F158F98-Q110 HydrophobicContact CE2-CB 4.16Å; Q110-L113 PolarHBondContact O-N 3Å; Q110-V114 VanDerWaalsContact O-CG2 3.27Å; Q110-V114 WeakPolarHBondContact O-CG2 3.34Å; Q110-V114 PolarHBondContact O-N 3.4Å; Q110-V114 VanDerWaalsContact O-N 3.12Å; Q110-H156 HydrophobicContact CG-CB 4.19Å; Q110-H156 PolarHBondContact OE1-O 2.9Å; Q110-F158 PolarHBondContact NE2-O 3.5Å; Q110-F158 PolarHBondContact OE1-O 3.46Å; Q110-F158 VanDerWaalsContact OE1-O 3.08Å
111Q88.6Confident92Very high156 Ų15667.3 Ų67.373%0.72934%0.342SS*.Hα-helixtrans-77.4-38.7-174.1-158.5168.812.800111.2D109 L113 V114 K115D109-Q111 VanDerWaalsContact C-N 3.28Å; D109-Q111 PolarHBondContact O-N 3.31Å; D109-Q111 WeakPolarHBondContact OD1-CA 3.4Å; D109-Q111 WeakPolarHBondContact OD1-CB 3.46Å; D109-Q111 PolarHBondContact OD1-N 3.44Å; Q111-L113 VanDerWaalsContact C-N 3.35Å; Q111-V114 WeakPolarHBondContact O-CB 3.47Å; Q111-V114 PolarHBondContact O-N 3.4Å; Q111-K115 WeakPolarHBondContact O-CB 3.43Å; Q111-K115 PolarHBondContact O-N 3.48Å
112E92.2Very high91.8Very high93 Ų9374.5 Ų74.544%0.43536%0.363SS..Hα-helixtrans-63.3-39.1170.3-69.9-176.5132.600111.7L108 D109 K115 H116L108-E112 HydrophobicContact CB-CB 4.2Å; L108-E112 HydrophobicContact CD2-CB 4.1Å; D109-E112 PolarHBondContact N-OE2 2.76Å; D109-E112 PolarHBondContact O-N 3.5Å; D109-E112 WeakPolarHBondContact OD1-CB 3.26Å; D109-E112 WeakPolarHBondContact OD1-CG 3.44Å; D109-E112 PolarHBondContact OD1-N 3.22Å; E112-K115 PolarHBondContact O-N 3.03Å; E112-H116 WeakPolarHBondContact O-CB 3.12Å; E112-H116 PolarHBondContact O-N 2.96Å
113L92.6Very high91.5Very high0 Ų079.6 Ų79.60%039%0.394CS..Hα-helixtrans-63-44.4175.6-17967000111.2F98 C100 L108 D109 Q110 Q111 C117 P131 V132 L152F98-L113 HydrophobicContact CB-CD2 3.98Å; F98-L113 HydrophobicContact CG-CD2 4.36Å; C100-L113 HydrophobicContact CB-CD1 4.12Å; L108-L113 HydrophobicContact CB-CB 4.15Å; L108-L113 HydrophobicContact CD1-CD1 3.88Å; D109-L113 VanDerWaalsContact O-CB 3.25Å; D109-L113 WeakPolarHBondContact O-CB 3.42Å; D109-L113 PolarHBondContact O-N 3.12Å; Q110-L113 PolarHBondContact O-N 3Å; Q111-L113 VanDerWaalsContact C-N 3.35Å; L113-C117 WeakPolarHBondContact O-CB 3.38Å; L113-C117 PolarHBondContact O-N 2.77Å; L113-C117 PolarHBondContact O-SG 3.36Å; L113-P131 HydrophobicContact CD2-CG 3.68Å; L113-V132 HydrophobicContact CD2-CG2 3.99Å; L113-L152 HydrophobicContact CD2-CD1 4.13Å; L113-L152 HydrophobicContact CD2-CD2 4.43Å; L113-L152 HydrophobicContact CG-CD2 4.08Å
114V91.8Very high91.1Very high19 Ų1978.4 Ų78.412%0.11538%0.382CS..Hα-helixtrans-57.6-53.1174.6169.30000110.5Q110 Q111 C117 M118 L152 L153Q110-V114 VanDerWaalsContact O-CG2 3.27Å; Q110-V114 WeakPolarHBondContact O-CG2 3.34Å; Q110-V114 PolarHBondContact O-N 3.4Å; Q110-V114 VanDerWaalsContact O-N 3.12Å; Q111-V114 WeakPolarHBondContact O-CB 3.47Å; Q111-V114 PolarHBondContact O-N 3.4Å; V114-C117 PolarHBondContact O-N 3.18Å; V114-M118 HydrophobicContact CG1-CE 3.81Å; V114-M118 WeakPolarHBondContact O-CG 3.45Å; V114-M118 PolarHBondContact O-N 3.02Å; V114-L152 HydrophobicContact CB-CD2 4.34Å; V114-L152 HydrophobicContact CG2-CD1 4.28Å; V114-L152 HydrophobicContact CG2-CD2 3.92Å; V114-L152 HydrophobicContact CG2-CG 3.65Å; V114-L153 HydrophobicContact CG1-CD2 3.71Å
115K93Very high90.6Very high121 Ų12182 Ų8253%0.52640%0.399SS..Hα-helixtrans-60.2-49.5-180-177.3-178.4174.6-174.70111.7Q111 E112 C117 M118 E119Q111-K115 WeakPolarHBondContact O-CB 3.43Å; Q111-K115 PolarHBondContact O-N 3.48Å; E112-K115 PolarHBondContact O-N 3.03Å; K115-C117 VanDerWaalsContact C-N 3.34Å; K115-C117 PolarHBondContact O-N 3.32Å; K115-M118 PolarHBondContact O-N 2.73Å; K115-E119 WeakPolarHBondContact CE-OE1 3.18Å; K115-E119 WeakPolarHBondContact CG-OE1 3.43Å; K115-E119 WeakPolarHBondContact O-CG 3.31Å; K115-E119 PolarHBondContact O-N 3.32Å
116H94.7Very high90.3Very high33 Ų3385.3 Ų85.315%0.15341%0.412CS..Hα-helixtrans-56.5-46.9179.2173.282.3000111.8C100 C103 L108 E112 E119 N120 H121C100-H116 VanDerWaalsContact SG-CD2 3.52Å; C100-H116 PolarHBondContact SG-NE2 2.97Å; C100-H116 VanDerWaalsContact SG-NE2 3.44Å; C103-H116 PolarHBondContact SG-NE2 2.9Å; L108-H116 HydrophobicContact CD1-CB 4.17Å; E112-H116 WeakPolarHBondContact O-CB 3.12Å; E112-H116 PolarHBondContact O-N 2.96Å; H116-E119 PolarHBondContact O-N 3.31Å; H116-N120 PolarHBondContact ND1-ND2 3.23Å; H116-N120 WeakPolarHBondContact O-CB 3.4Å; H116-N120 PolarHBondContact O-N 3.4Å; H116-N120 PolarHBondContact O-ND2 3.18Å; H116-H121 AromaticContact CD2-CD2 3.98Å; H116-H121 AromaticContact NE2-CD2 3.67Å; H116-H121 AromaticContact NE2-NE2 3.29Å; H116-H121 PolarHBondContact NE2-NE2 3.4Å
117C93.4Very high90.2Very high0 Ų083 Ų830%041%0.407CS..Hα-helixtrans-67.8-36-179.6-65.20000112.3L113 V114 K115 H121 L149 L152L113-C117 WeakPolarHBondContact O-CB 3.38Å; L113-C117 PolarHBondContact O-N 2.77Å; L113-C117 PolarHBondContact O-SG 3.36Å; V114-C117 PolarHBondContact O-N 3.18Å; K115-C117 VanDerWaalsContact C-N 3.34Å; K115-C117 PolarHBondContact O-N 3.32Å; C117-H121 CarbonylContact O-C 3.42Å; C117-H121 WeakPolarHBondContact O-CA 3.19Å; C117-H121 PolarHBondContact O-N 2.98Å; C117-L149 HydrophobicContact CB-CD1 3.87Å; C117-L152 HydrophobicContact CB-CD2 4.24Å
118M91.9Very high90.3Very high85 Ų8577.9 Ų77.942%0.41938%0.38SS..Hα-helixtrans-64.2-42.6174.4-79.2-165.8-67.700112.7V114 K115 L149 L153V114-M118 HydrophobicContact CG1-CE 3.81Å; V114-M118 WeakPolarHBondContact O-CG 3.45Å; V114-M118 PolarHBondContact O-N 3.02Å; K115-M118 PolarHBondContact O-N 2.73Å; M118-L149 HydrophobicContact CG-CD1 3.9Å; M118-L153 HydrophobicContact CE-CD2 4.2Å; M118-L153 HydrophobicContact CG-CD1 4.44Å; M118-L153 HydrophobicContact CG-CD2 4.13Å; M118-L153 HydrophobicContact SD-CD1 4.36Å; M118-L153 HydrophobicContact SD-CD2 3.59Å; M118-L153 VanDerWaalsContact SD-CD2 3.59Å
119E93.3Very high90.4Very high129 Ų12978.7 Ų78.760%0.60339%0.386SS*.Hα-helixtrans-77.5-35.6-175.2-70.6172.6174.300112.5K115 H116K115-E119 WeakPolarHBondContact CE-OE1 3.18Å; K115-E119 WeakPolarHBondContact CG-OE1 3.43Å; K115-E119 WeakPolarHBondContact O-CG 3.31Å; K115-E119 PolarHBondContact O-N 3.32Å; H116-E119 PolarHBondContact O-N 3.31Å
120N93.4Very high90.5Very high95 Ų9576 Ų7651%0.50837%0.372SS..Hα-helixtrans-110.4-20.6-168-60.2-86000114.3H116H116-N120 PolarHBondContact ND1-ND2 3.23Å; H116-N120 WeakPolarHBondContact O-CB 3.4Å; H116-N120 PolarHBondContact O-N 3.4Å; H116-N120 PolarHBondContact O-ND2 3.18Å
121H92.4Very high90.7Very high28 Ų2876 Ų7613%0.1337%0.374CS..  trans-132.625.7-168.9-57.3-62.4000113.7Y102 C103 H116 C117 N123 D124Y102-H121 HydrophobicContact CD2-CB 3.6Å; Y102-H121 AromaticContact CD2-CD2 3.8Å; Y102-H121 AromaticContact CD2-CG 3.59Å; Y102-H121 HydrophobicContact CE2-CB 3.85Å; Y102-H121 HydrophobicContact CG-CB 4.18Å; Y102-H121 AromaticContact CG-CG 3.89Å; C103-H121 PolarHBondContact SG-NE2 3.49Å; H116-H121 AromaticContact CD2-CD2 3.98Å; H116-H121 AromaticContact NE2-CD2 3.67Å; H116-H121 AromaticContact NE2-NE2 3.29Å; H116-H121 PolarHBondContact NE2-NE2 3.4Å; C117-H121 CarbonylContact O-C 3.42Å; C117-H121 WeakPolarHBondContact O-CA 3.19Å; C117-H121 PolarHBondContact O-N 2.98Å; H121-N123 PolarHBondContact O-N 2.92Å; H121-N123 VanDerWaalsContact O-N 3.09Å; H121-D124 HydrophobicContact CB-CB 4.16Å; H121-D124 PolarHBondContact O-N 3.03Å
122R87.7Confident90.8Very high197 Ų19768.9 Ų68.974%0.74334%0.341SS*.THydrogen-bonded Turntrans-53.8-34.5-174-169.6174.3-179.5176.91114.6L149R122-L149 HydrophobicContact CG-CD2 4.44Å
123N86.1Confident90.7Very high150 Ų15066.1 Ų66.180%0.80233%0.332SS*.THydrogen-bonded Turntrans-118.820.3-174.9-64.1-16.2000112.6H121 P125H121-N123 PolarHBondContact O-N 2.92Å; H121-N123 VanDerWaalsContact O-N 3.09Å; N123-P125 WeakPolarHBondContact O-CD 3.43Å
124D84Confident90.5Very high47 Ų4768.2 Ų68.225%0.25135%0.347SS..  trans-73.8120.2179.4-167.5-47.8000110.5Y102 H121 N126Y102-D124 HydrophobicContact CD1-CB 4.08Å; Y102-D124 HydrophobicContact CE1-CB 3.86Å; H121-D124 HydrophobicContact CB-CB 4.16Å; H121-D124 PolarHBondContact O-N 3.03Å; D124-N126 VanDerWaalsContact C-N 3.29Å; D124-N126 PolarHBondContact O-N 3.47Å; D124-N126 WeakPolarHBondContact OD1-CB 3.35Å; D124-N126 PolarHBondContact OD1-N 3.41Å; D124-N126 PolarHBondContact OD1-ND2 2.91Å
125P82.1Confident90.3Very high116 Ų11667.7 Ų67.775%0.75334%0.344SS*.  trans-81.1-4.7-176.934.2-36.3000113.8N123N123-P125 WeakPolarHBondContact O-CD 3.43Å
126N86.9Confident89.8Confident99 Ų9962.7 Ų62.753%0.52932%0.323SS..  trans-71133.3-172.9-66.6-56.4000111.9Y102 D124 V128Y102-N126 HydrophobicContact CD1-CB 4.38Å; Y102-N126 HydrophobicContact CE1-CB 4.2Å; Y102-N126 WeakPolarHBondContact CE1-O 3.37Å; D124-N126 VanDerWaalsContact C-N 3.29Å; D124-N126 PolarHBondContact O-N 3.47Å; D124-N126 WeakPolarHBondContact OD1-CB 3.35Å; D124-N126 PolarHBondContact OD1-N 3.41Å; D124-N126 PolarHBondContact OD1-ND2 2.91Å; N126-V128 PolarHBondContact O-N 3.46Å
127K90.2Very high89.1Confident139 Ų13965 Ų6560%0.60434%0.341SS*.  trans-81.2117.2172.5-60.1-174.1-177.5-179.20109.7K144K127-K144 HydrophobicContact CB-CB 4Å
128V93.1Very high88.4Confident16 Ų1672.6 Ų72.610%0.09737%0.37CS..EExtended strand (participates in β ladder)trans-122.7153.4-176.2-67.10000111.6P101 Y102 N126 S145 F148P101-V128 HydrophobicContact CB-CB 3.77Å; P101-V128 HydrophobicContact CB-CG1 4.07Å; P101-V128 HydrophobicContact CB-CG2 4.2Å; P101-V128 HydrophobicContact CG-CB 3.87Å; P101-V128 HydrophobicContact CG-CG1 4.34Å; P101-V128 HydrophobicContact CG-CG2 3.7Å; Y102-V128 HydrophobicContact CD1-CG1 3.83Å; Y102-V128 HydrophobicContact CE1-CG1 3.79Å; Y102-V128 HydrophobicContact CE1-CG2 3.91Å; Y102-V128 HydrophobicContact CE2-CG2 4.41Å; N126-V128 PolarHBondContact O-N 3.46Å; V128-S145 PolarHBondContact O-N 3.27Å; V128-F148 HydrophobicContact CG2-CB 3.37Å; V128-F148 HydrophobicContact CG2-CD1 3.53Å; V128-F148 HydrophobicContact CG2-CD2 4.03Å; V128-F148 HydrophobicContact CG2-CE1 4.3Å; V128-F148 HydrophobicContact CG2-CG 3.35Å
129V92.6Very high88Confident40 Ų4069.7 Ų69.724%0.24236%0.361CS..EExtended strand (participates in β ladder)trans-77.5134.3171.5179.90000108.4P131 P141 Y143 K144V129-P131 WeakPolarHBondContact O-CD 3.45Å; V129-P141 WeakPolarHBondContact CG1-O 3.4Å; V129-P141 WeakPolarHBondContact CG2-O 3.37Å; V129-Y143 WeakPolarHBondContact CA-O 3.47Å; V129-K144 HydrophobicContact CG2-CG 3.96Å
130C92.6Very high87.6Confident6 Ų667.7 Ų67.74%0.04136%0.355CS..  trans-71.9116.9174.6178.60000109.8V132 C133 S134 F148 H151C130-V132 PolarHBondContact O-N 3.44Å; C130-C133 HydrophobicContact CB-CB 3.98Å; C130-C133 PolarHBondContact O-N 2.82Å; C130-C133 PolarHBondContact SG-N 3.46Å; C130-S134 WeakPolarHBondContact O-CB 3.42Å; C130-S134 PolarHBondContact O-N 3.43Å; C130-F148 HydrophobicContact CB-CD2 4Å; C130-F148 HydrophobicContact CB-CE2 3.76Å; C130-H151 WeakPolarHBondContact CB-NE2 3.48Å; C130-H151 PolarHBondContact SG-NE2 3.32Å
131P91.8Very high87.3Confident28 Ų2867 Ų6718%0.18236%0.355CS..THydrogen-bonded Turntrans-67.8-25.5-178.429.6-36.4000112.2F98 L113 V129 A135F98-P131 HydrophobicContact CB-CB 4.21Å; F98-P131 HydrophobicContact CB-CG 4.11Å; F98-P131 HydrophobicContact CD1-CB 4.04Å; F98-P131 HydrophobicContact CD1-CG 4.46Å; F98-P131 HydrophobicContact CG-CB 4.5Å; L113-P131 HydrophobicContact CD2-CG 3.68Å; V129-P131 WeakPolarHBondContact O-CD 3.45Å; P131-A135 PolarHBondContact O-N 3.03Å
132V90.4Very high87.1Confident5 Ų570.1 Ų70.13%0.0338%0.38CS..THydrogen-bonded Turntrans-71.4-51.2176.4-169.80000110.3F98 L113 C130 S134 A135 M136 L152 H156F98-V132 HydrophobicContact CD1-CG2 4.2Å; F98-V132 HydrophobicContact CD2-CG2 4.09Å; F98-V132 HydrophobicContact CE1-CB 4.24Å; F98-V132 HydrophobicContact CE1-CG1 4.43Å; F98-V132 HydrophobicContact CE1-CG2 4.07Å; F98-V132 HydrophobicContact CE2-CG2 3.95Å; F98-V132 HydrophobicContact CG-CG2 4.21Å; F98-V132 HydrophobicContact CZ-CB 4.22Å; F98-V132 HydrophobicContact CZ-CG1 4.01Å; F98-V132 HydrophobicContact CZ-CG2 3.93Å; L113-V132 HydrophobicContact CD2-CG2 3.99Å; C130-V132 PolarHBondContact O-N 3.44Å; V132-S134 VanDerWaalsContact C-N 3.32Å; V132-S134 PolarHBondContact O-N 3.15Å; V132-A135 PolarHBondContact O-N 3.4Å; V132-A135 VanDerWaalsContact O-N 3.13Å; V132-M136 WeakPolarHBondContact O-CG 3.44Å; V132-L152 HydrophobicContact CG2-CD1 4.28Å; V132-H156 VanDerWaalsContact CG1-CE1 3.44Å; V132-H156 WeakPolarHBondContact CG1-CE1 3.36Å; V132-H156 WeakPolarHBondContact CG1-ND1 3.37Å
133C89.8Confident87.2Confident35 Ų3567.6 Ų67.624%0.23637%0.372CS..G310 helixtrans-59.4-42.6175.4-68.60000112.2C130 A135 M136 G139 H151 H156C130-C133 HydrophobicContact CB-CB 3.98Å; C130-C133 PolarHBondContact O-N 2.82Å; C130-C133 PolarHBondContact SG-N 3.46Å; C133-A135 PolarHBondContact O-N 3.37Å; C133-A135 VanDerWaalsContact O-N 3.12Å; C133-M136 VanDerWaalsContact O-CB 3.31Å; C133-M136 WeakPolarHBondContact O-CB 3.39Å; C133-M136 WeakPolarHBondContact O-CG 3.49Å; C133-M136 PolarHBondContact O-N 3.2Å; C133-G139 WeakPolarHBondContact O-CA 3.35Å; C133-H151 PolarHBondContact SG-CE1 2.79Å; C133-H151 PolarHBondContact SG-NE2 2.84Å; C133-H156 PolarHBondContact SG-NE2 3.25Å
134S89.4Confident87.4Confident45 Ų4566.9 Ų66.932%0.31536%0.361SS..G310 helixtrans-63.2-17.5179.7-175.90000113.6C130 V132C130-S134 WeakPolarHBondContact O-CB 3.42Å; C130-S134 PolarHBondContact O-N 3.43Å; V132-S134 VanDerWaalsContact C-N 3.32Å; V132-S134 PolarHBondContact O-N 3.15Å
135A86.9Confident87.5Confident7 Ų765 Ų656%0.05835%0.353CS..G310 helixtrans-88.1-6175.600000113.1P93 R95 F98 P131 V132 C133P93-A135 HydrophobicContact CB-CB 4.35Å; R95-A135 HydrophobicContact CG-CB 3.88Å; R95-A135 PolarHBondContact NE-O 2.98Å; F98-A135 HydrophobicContact CE1-CB 4.22Å; P131-A135 PolarHBondContact O-N 3.03Å; V132-A135 PolarHBondContact O-N 3.4Å; V132-A135 VanDerWaalsContact O-N 3.13Å; C133-A135 PolarHBondContact O-N 3.37Å; C133-A135 VanDerWaalsContact O-N 3.12Å
136M83.4Confident87.5Confident16 Ų1663.3 Ų63.38%0.07935%0.348CS..SBendtrans-87.9143.9179.7-51.2-54.7-71.300110.9V132 C133 W138 G139 Y160 Y166V132-M136 WeakPolarHBondContact O-CG 3.44Å; C133-M136 VanDerWaalsContact O-CB 3.31Å; C133-M136 WeakPolarHBondContact O-CB 3.39Å; C133-M136 WeakPolarHBondContact O-CG 3.49Å; C133-M136 PolarHBondContact O-N 3.2Å; M136-W138 HydrophobicContact CB-CD2 4.28Å; M136-W138 HydrophobicContact CB-CG 4.43Å; M136-W138 HydrophobicContact CB-CZ2 4.46Å; M136-W138 HydrophobicContact CE-CH2 3.75Å; M136-W138 HydrophobicContact CE-CZ2 3.19Å; M136-W138 PolarHBondContact O-N 3.38Å; M136-G139 PolarHBondContact O-N 3.29Å; M136-Y160 HydrophobicContact CE-CD1 4.49Å; M136-Y160 HydrophobicContact CE-CD2 4.46Å; M136-Y160 HydrophobicContact CE-CG 4.04Å; M136-Y166 HydrophobicContact CE-CD1 4.44Å; M136-Y166 HydrophobicContact CE-CE1 3.38Å; M136-Y166 HydrophobicContact SD-CE1 4.47Å
137P79.3Confident87.6Confident83 Ų8362.4 Ų62.454%0.53934%0.343SS..THydrogen-bonded Turntrans-57.7-31.4177.4-22.832.1000113.9Y166P137-Y166 HydrophobicContact CG-CD1 4.46Å
138W79.2Confident87.6Confident159 Ų15955.9 Ų55.960%0.60232%0.315SS*.THydrogen-bonded Turntrans-97.77.4179.252.384.8000113.7M136 V164 Y166M136-W138 HydrophobicContact CB-CD2 4.28Å; M136-W138 HydrophobicContact CB-CG 4.43Å; M136-W138 HydrophobicContact CB-CZ2 4.46Å; M136-W138 HydrophobicContact CE-CH2 3.75Å; M136-W138 HydrophobicContact CE-CZ2 3.19Å; M136-W138 PolarHBondContact O-N 3.38Å; W138-V164 HydrophobicContact CH2-CG1 4.13Å; W138-Y166 AromaticContact CH2-CD1 3.79Å; W138-Y166 HydrophobicContact CH2-CD1 3.79Å; W138-Y166 AromaticContact CH2-CE1 3.68Å; W138-Y166 HydrophobicContact CH2-CE1 3.68Å; W138-Y166 HydrophobicContact CZ2-CE1 4.34Å; W138-Y166 HydrophobicContact CZ3-CD1 4.1Å; W138-Y166 HydrophobicContact CZ3-CE1 4.42Å
139G83.5Confident87.5Confident23 Ų2356.1 Ų56.124%0.23732%0.316CS..  trans-84.8148.5178.600000112.7C133 M136 P141C133-G139 WeakPolarHBondContact O-CA 3.35Å; M136-G139 PolarHBondContact O-N 3.29Å; G139-P141 WeakPolarHBondContact O-CD 3.25Å
140D84.2Confident87.4Confident88 Ų8859.4 Ų59.447%0.47133%0.328SS..  trans-95.8112.8171.5177.73.7000110.5S142 Y143D140-S142 PolarHBondContact O-N 3.48Å; D140-S142 WeakPolarHBondContact OD1-CA 3.1Å; D140-S142 WeakPolarHBondContact OD1-CB 3.44Å; D140-S142 PolarHBondContact OD1-N 2.92Å; D140-Y143 PolarHBondContact O-N 3.4Å
141P87.3Confident87.3Confident80 Ų8061 Ų6152%0.51934%0.335SS..THydrogen-bonded Turntrans-65.4-14.9177.6-21.734.7000114.8V129 G139V129-P141 WeakPolarHBondContact CG1-O 3.4Å; V129-P141 WeakPolarHBondContact CG2-O 3.37Å; G139-P141 WeakPolarHBondContact O-CD 3.25Å
142S89.1Confident87.3Confident94 Ų9459.7 Ų59.766%0.65733%0.326SS*.THydrogen-bonded Turntrans-97.6-12.4179.5-57.40000112.8D140 K144D140-S142 PolarHBondContact O-N 3.48Å; D140-S142 WeakPolarHBondContact OD1-CA 3.1Å; D140-S142 WeakPolarHBondContact OD1-CB 3.44Å; D140-S142 PolarHBondContact OD1-N 2.92Å; S142-K144 PolarHBondContact O-N 2.99Å
143Y89.9Confident87.2Confident144 Ų14462.7 Ų62.757%0.56534%0.342SS*.  trans-71.7113.8-176.3179.8-100.8000111.6V129 D140V129-Y143 WeakPolarHBondContact CA-O 3.47Å; D140-Y143 PolarHBondContact O-N 3.4Å
144K89.9Confident87.1Confident134 Ų13466.9 Ų66.958%0.58336%0.358SS*.EExtended strand (participates in β ladder)trans-94117.2175.5-61.3-177.8-178.2-179.20109.8K127 V129 S142 A146K127-K144 HydrophobicContact CB-CB 4Å; V129-K144 HydrophobicContact CG2-CG 3.96Å; S142-K144 PolarHBondContact O-N 2.99Å; K144-A146 PolarHBondContact O-N 3.41Å
145S86.1Confident86.9Confident9 Ų972.3 Ų72.36%0.06337%0.371CS..EExtended strand (participates in β ladder)trans-67.1135.3177.4-174.40000110.7V128 N147 F148V128-S145 PolarHBondContact O-N 3.27Å; S145-N147 VanDerWaalsContact C-N 3.27Å; S145-N147 VanDerWaalsContact OG-C 3.28Å; S145-N147 PolarHBondContact OG-N 3.42Å; S145-N147 PolarHBondContact OG-O 3.33Å; S145-F148 PolarHBondContact OG-N 2.85Å
146A83.1Confident86.9Confident80 Ų8072.2 Ų72.266%0.66137%0.37SS*.SBendtrans-68.9-27.6173.500000112.5K144K144-A146 PolarHBondContact O-N 3.41Å
147N87.6Confident86.7Confident80 Ų8078.8 Ų78.843%0.42840%0.398SS..SBendtrans-142.887173-174.9-22.6000108.4S145 Q150 H151S145-N147 VanDerWaalsContact C-N 3.27Å; S145-N147 VanDerWaalsContact OG-C 3.28Å; S145-N147 PolarHBondContact OG-N 3.42Å; S145-N147 PolarHBondContact OG-O 3.33Å; N147-Q150 HydrophobicContact CB-CB 4.3Å; N147-Q150 VanDerWaalsContact CG-CB 3.44Å; N147-Q150 PolarHBondContact ND2-OE1 3.38Å; N147-Q150 VanDerWaalsContact OD1-CB 3.26Å; N147-Q150 WeakPolarHBondContact OD1-CB 3.39Å; N147-Q150 PolarHBondContact OD1-N 3.12Å; N147-H151 WeakPolarHBondContact O-CB 3.45Å; N147-H151 PolarHBondContact O-N 3.29Å
148F91.1Very high86.3Confident2 Ų281.4 Ų81.41%0.00940%0.401CS..Hα-helixtrans-65.5-41.1-175.3168-109.7000112.5P101 Y102 V128 C130 S145 Q150 H151 L152P101-F148 HydrophobicContact CG-CD1 4.27Å; P101-F148 HydrophobicContact CG-CE1 3.75Å; P101-F148 HydrophobicContact CG-CZ 3.89Å; Y102-F148 HydrophobicContact CD2-CD1 4.3Å; Y102-F148 HydrophobicContact CD2-CE1 4.41Å; Y102-F148 AromaticContact CE2-CD1 3.42Å; Y102-F148 HydrophobicContact CE2-CD1 3.42Å; Y102-F148 VanDerWaalsContact CE2-CD1 3.42Å; Y102-F148 AromaticContact CE2-CE1 3.91Å; Y102-F148 HydrophobicContact CE2-CE1 3.91Å; Y102-F148 AromaticContact CZ-CD1 3.76Å; V128-F148 HydrophobicContact CG2-CB 3.37Å; V128-F148 HydrophobicContact CG2-CD1 3.53Å; V128-F148 HydrophobicContact CG2-CD2 4.03Å; V128-F148 HydrophobicContact CG2-CE1 4.3Å; V128-F148 HydrophobicContact CG2-CG 3.35Å; C130-F148 HydrophobicContact CB-CD2 4Å; C130-F148 HydrophobicContact CB-CE2 3.76Å; S145-F148 PolarHBondContact OG-N 2.85Å; F148-Q150 PolarHBondContact O-N 3.47Å; F148-H151 WeakPolarHBondContact O-CB 3.45Å; F148-H151 PolarHBondContact O-N 3.4Å; F148-L152 HydrophobicContact CE1-CD2 4.21Å; F148-L152 HydrophobicContact CE2-CB 4.41Å; F148-L152 HydrophobicContact CE2-CD1 4.25Å; F148-L152 HydrophobicContact CZ-CB 4.48Å; F148-L152 HydrophobicContact CZ-CD1 4.19Å; F148-L152 HydrophobicContact CZ-CD2 3.93Å; F148-L152 HydrophobicContact CZ-CG 4.43Å; F148-L152 WeakPolarHBondContact O-CB 3.5Å; F148-L152 PolarHBondContact O-N 2.78Å
149L90.7Very high85.9Confident21 Ų2175.8 Ų75.811%0.1139%0.386CS..Hα-helixtrans-60.1-47179.8-178.361.3000111.7C117 M118 R122 L152 L153C117-L149 HydrophobicContact CB-CD1 3.87Å; M118-L149 HydrophobicContact CG-CD1 3.9Å; R122-L149 HydrophobicContact CG-CD2 4.44Å; L149-L152 PolarHBondContact O-N 3.41Å; L149-L153 HydrophobicContact CD1-CD1 4.4Å; L149-L153 HydrophobicContact CG-CD1 4.22Å; L149-L153 WeakPolarHBondContact O-CG 3.5Å; L149-L153 PolarHBondContact O-N 3.33Å
150Q89.9Confident85.3Confident108 Ų10879.1 Ų79.151%0.50539%0.392SS..Hα-helixtrans-66.9-40.7178.5-171.1152.4-16.600111.5N147 F148 L152 L153 H154N147-Q150 HydrophobicContact CB-CB 4.3Å; N147-Q150 VanDerWaalsContact CG-CB 3.44Å; N147-Q150 PolarHBondContact ND2-OE1 3.38Å; N147-Q150 VanDerWaalsContact OD1-CB 3.26Å; N147-Q150 WeakPolarHBondContact OD1-CB 3.39Å; N147-Q150 PolarHBondContact OD1-N 3.12Å; F148-Q150 PolarHBondContact O-N 3.47Å; Q150-L152 VanDerWaalsContact C-N 3.32Å; Q150-L152 PolarHBondContact O-N 3.41Å; Q150-L153 PolarHBondContact O-N 3.34Å; Q150-H154 WeakPolarHBondContact CG-CD2 3.4Å; Q150-H154 PolarHBondContact O-CD2 2.75Å; Q150-H154 PolarHBondContact O-N 3.08Å
151H91.6Very high84.5Confident41 Ų4179.1 Ų79.119%0.1939%0.392CS..Hα-helixtrans-55.9-47.4172.6162.381.5000111.9C130 C133 N147 F148 L153 H154 R155 H156C130-H151 WeakPolarHBondContact CB-NE2 3.48Å; C130-H151 PolarHBondContact SG-NE2 3.32Å; C133-H151 PolarHBondContact SG-CE1 2.79Å; C133-H151 PolarHBondContact SG-NE2 2.84Å; N147-H151 WeakPolarHBondContact O-CB 3.45Å; N147-H151 PolarHBondContact O-N 3.29Å; F148-H151 WeakPolarHBondContact O-CB 3.45Å; F148-H151 PolarHBondContact O-N 3.4Å; H151-L153 VanDerWaalsContact C-N 3.35Å; H151-L153 PolarHBondContact O-N 3.49Å; H151-H154 PolarHBondContact O-N 3.04Å; H151-R155 WeakPolarHBondContact O-CB 3.26Å; H151-R155 PolarHBondContact O-N 3.16Å; H151-H156 AromaticContact CE1-NE2 3.93Å; H151-H156 AromaticContact NE2-CD2 3.65Å; H151-H156 AromaticContact NE2-NE2 3.42Å; H151-H156 PolarHBondContact NE2-NE2 3.43Å
152L90.6Very high83.7Confident0 Ų080.2 Ų80.20%040%0.397CS..Hα-helixtrans-62.1-42.5-179-167.768.8000111.2L113 V114 C117 V132 F148 L149 Q150 H156L113-L152 HydrophobicContact CD2-CD1 4.13Å; L113-L152 HydrophobicContact CD2-CD2 4.43Å; L113-L152 HydrophobicContact CG-CD2 4.08Å; V114-L152 HydrophobicContact CB-CD2 4.34Å; V114-L152 HydrophobicContact CG2-CD1 4.28Å; V114-L152 HydrophobicContact CG2-CD2 3.92Å; V114-L152 HydrophobicContact CG2-CG 3.65Å; C117-L152 HydrophobicContact CB-CD2 4.24Å; V132-L152 HydrophobicContact CG2-CD1 4.28Å; F148-L152 HydrophobicContact CE1-CD2 4.21Å; F148-L152 HydrophobicContact CE2-CB 4.41Å; F148-L152 HydrophobicContact CE2-CD1 4.25Å; F148-L152 HydrophobicContact CZ-CB 4.48Å; F148-L152 HydrophobicContact CZ-CD1 4.19Å; F148-L152 HydrophobicContact CZ-CD2 3.93Å; F148-L152 HydrophobicContact CZ-CG 4.43Å; F148-L152 WeakPolarHBondContact O-CB 3.5Å; F148-L152 PolarHBondContact O-N 2.78Å; L149-L152 PolarHBondContact O-N 3.41Å; Q150-L152 VanDerWaalsContact C-N 3.32Å; Q150-L152 PolarHBondContact O-N 3.41Å; L152-H156 HydrophobicContact CD1-CB 4.02Å; L152-H156 CarbonylContact O-C 3.42Å; L152-H156 WeakPolarHBondContact O-CA 3.3Å; L152-H156 WeakPolarHBondContact O-CB 3.35Å; L152-H156 PolarHBondContact O-N 2.91Å
153L88.5Confident82.6Confident67 Ų6783.1 Ų83.135%0.35140%0.399SS..Hα-helixtrans-67.3-35177.9-70.5169.2000114.2V114 M118 L149 Q150 H151V114-L153 HydrophobicContact CG1-CD2 3.71Å; M118-L153 HydrophobicContact CE-CD2 4.2Å; M118-L153 HydrophobicContact CG-CD1 4.44Å; M118-L153 HydrophobicContact CG-CD2 4.13Å; M118-L153 HydrophobicContact SD-CD1 4.36Å; M118-L153 HydrophobicContact SD-CD2 3.59Å; M118-L153 VanDerWaalsContact SD-CD2 3.59Å; L149-L153 HydrophobicContact CD1-CD1 4.4Å; L149-L153 HydrophobicContact CG-CD1 4.22Å; L149-L153 WeakPolarHBondContact O-CG 3.5Å; L149-L153 PolarHBondContact O-N 3.33Å; Q150-L153 PolarHBondContact O-N 3.34Å; H151-L153 VanDerWaalsContact C-N 3.35Å; H151-L153 PolarHBondContact O-N 3.49Å
154H86.9Confident81.5Confident123 Ų12378.7 Ų78.757%0.56939%0.386SS*.Hα-helixtrans-89.8-38.3-177.1-74.8-69000113.5Q150 H151Q150-H154 WeakPolarHBondContact CG-CD2 3.4Å; Q150-H154 PolarHBondContact O-CD2 2.75Å; Q150-H154 PolarHBondContact O-N 3.08Å; H151-H154 PolarHBondContact O-N 3.04Å
155R85.9Confident80.6Confident159 Ų15976.4 Ų76.460%0.638%0.38SS*.Hα-helixtrans-95.9-22.7-174.4-67.4-72.2106.593.9-4.6113.4H151H151-R155 WeakPolarHBondContact O-CB 3.26Å; H151-R155 PolarHBondContact O-N 3.16Å
156H87.3Confident79.8Confident5 Ų578 Ų782%0.02339%0.385CS..SBendtrans-124.531-175.2-59.3-58.3000112.5Q110 V132 C133 H151 L152 F158Q110-H156 HydrophobicContact CG-CB 4.19Å; Q110-H156 PolarHBondContact OE1-O 2.9Å; V132-H156 VanDerWaalsContact CG1-CE1 3.44Å; V132-H156 WeakPolarHBondContact CG1-CE1 3.36Å; V132-H156 WeakPolarHBondContact CG1-ND1 3.37Å; C133-H156 PolarHBondContact SG-NE2 3.25Å; H151-H156 AromaticContact CE1-NE2 3.93Å; H151-H156 AromaticContact NE2-CD2 3.65Å; H151-H156 AromaticContact NE2-NE2 3.42Å; H151-H156 PolarHBondContact NE2-NE2 3.43Å; L152-H156 HydrophobicContact CD1-CB 4.02Å; L152-H156 CarbonylContact O-C 3.42Å; L152-H156 WeakPolarHBondContact O-CA 3.3Å; L152-H156 WeakPolarHBondContact O-CB 3.35Å; L152-H156 PolarHBondContact O-N 2.91Å; H156-F158 PolarHBondContact O-N 3.32Å
157K78.7Confident79.1Confident154 Ų15480.8 Ų80.867%0.6739%0.389SS*.SBendtrans-64.6-22.4164.4-176175.4173.3-1770112
158F71Confident78.3Confident138 Ų13881 Ų8161%0.60539%0.389SS*.SBendtrans-130.2148.5-179.3-56.2-79.1000110.4Q110 H156Q110-F158 PolarHBondContact NE2-O 3.5Å; Q110-F158 PolarHBondContact OE1-O 3.46Å; Q110-F158 VanDerWaalsContact OE1-O 3.08Å; H156-F158 PolarHBondContact O-N 3.32Å
159S71.1Confident77.5Confident42 Ų4286.2 Ų86.229%0.29442%0.417SS..  trans-83.5121.5177.7-177.20000110.6D161 T162 F163S159-D161 PolarHBondContact O-N 3.46Å; S159-D161 PolarHBondContact OG-N 2.97Å; S159-T162 PolarHBondContact O-N 2.95Å; S159-F163 VanDerWaalsContact O-CD2 3.3Å; S159-F163 WeakPolarHBondContact O-CD2 3.48Å
160Y70.9Confident76.7Confident93 Ų9393.3 Ų93.337%0.36545%0.45SS..G310 helixtrans-65.4-28.3173.7-79.8-87.3000112.2M136 T162 F163 V164 Y166M136-Y160 HydrophobicContact CE-CD1 4.49Å; M136-Y160 HydrophobicContact CE-CD2 4.46Å; M136-Y160 HydrophobicContact CE-CG 4.04Å; Y160-T162 PolarHBondContact O-N 3.23Å; Y160-T162 VanDerWaalsContact O-N 3.16Å; Y160-F163 PolarHBondContact O-N 3.45Å; Y160-V164 HydrophobicContact CD1-CG2 3.93Å; Y160-V164 WeakPolarHBondContact O-CB 3.45Å; Y160-V164 PolarHBondContact O-N 3.03Å; Y160-Y166 WeakPolarHBondContact CB-OH 3.34Å
161D68.3Low76.2Confident88 Ų8893.6 Ų93.647%0.47145%0.451SS..G310 helixtrans-61-25.5-179.4-155.2-108000112.8S159 Y166S159-D161 PolarHBondContact O-N 3.46Å; S159-D161 PolarHBondContact OG-N 2.97Å; D161-Y166 PolarHBondContact N-OH 3.01Å
162T69.7Low75.8Confident102 Ų10293.8 Ų93.863%0.62646%0.46SS*.G310 helixtrans-80-21.8178.3-49.40000113.1S159 Y160S159-T162 PolarHBondContact O-N 2.95Å; Y160-T162 PolarHBondContact O-N 3.23Å; Y160-T162 VanDerWaalsContact O-N 3.16Å
163F66Low75.3Confident156 Ų15696.1 Ų96.168%0.68448%0.479SS*.THydrogen-bonded Turntrans-125.1-9.9-167.6-59.5-73.5000114.4S159 Y160S159-F163 VanDerWaalsContact O-CD2 3.3Å; S159-F163 WeakPolarHBondContact O-CD2 3.48Å; Y160-F163 PolarHBondContact O-N 3.45Å
164V67.6Low75.1Confident50 Ų5097.4 Ų97.430%0.30349%0.486SS..  trans-126.3118.4-175.8-175.60000110.1W138 Y160 Y166W138-V164 HydrophobicContact CH2-CG1 4.13Å; Y160-V164 HydrophobicContact CD1-CG2 3.93Å; Y160-V164 WeakPolarHBondContact O-CB 3.45Å; Y160-V164 PolarHBondContact O-N 3.03Å; V164-Y166 HydrophobicContact CB-CE1 4.1Å; V164-Y166 HydrophobicContact CG1-CD1 4Å; V164-Y166 HydrophobicContact CG1-CE1 3.94Å; V164-Y166 PolarHBondContact O-N 3.2Å
165D70.1Confident74.9Confident86 Ų8697.4 Ų97.446%0.4649%0.486SS..  trans-81.9107.9164.6-170.8-15.9000109.2N167 I168D165-N167 PolarHBondContact O-N 3.38Å; D165-N167 WeakPolarHBondContact OD1-CB 3.37Å; D165-N167 PolarHBondContact OD1-N 3.05Å; D165-N167 PolarHBondContact OD1-ND2 3.09Å; D165-I168 HydrophobicContact CB-CD1 3.61Å; D165-I168 HydrophobicContact CB-CG1 3.81Å; D165-I168 PolarHBondContact O-N 3Å; D165-I168 WeakPolarHBondContact OD2-CD1 3.27Å; D165-I168 WeakPolarHBondContact OD2-CG1 3.36Å
166Y68.4Low74.8Confident43 Ų4392.3 Ų92.317%0.16948%0.478CS..THydrogen-bonded Turntrans-71.6-6.4-177.9-54.6-73.1000114.2M136 P137 W138 Y160 D161 V164M136-Y166 HydrophobicContact CE-CD1 4.44Å; M136-Y166 HydrophobicContact CE-CE1 3.38Å; M136-Y166 HydrophobicContact SD-CE1 4.47Å; P137-Y166 HydrophobicContact CG-CD1 4.46Å; W138-Y166 AromaticContact CH2-CD1 3.79Å; W138-Y166 HydrophobicContact CH2-CD1 3.79Å; W138-Y166 AromaticContact CH2-CE1 3.68Å; W138-Y166 HydrophobicContact CH2-CE1 3.68Å; W138-Y166 HydrophobicContact CZ2-CE1 4.34Å; W138-Y166 HydrophobicContact CZ3-CD1 4.1Å; W138-Y166 HydrophobicContact CZ3-CE1 4.42Å; Y160-Y166 WeakPolarHBondContact CB-OH 3.34Å; D161-Y166 PolarHBondContact N-OH 3.01Å; V164-Y166 HydrophobicContact CB-CE1 4.1Å; V164-Y166 HydrophobicContact CG1-CD1 4Å; V164-Y166 HydrophobicContact CG1-CE1 3.94Å; V164-Y166 PolarHBondContact O-N 3.2Å
167N68.5Low74.7Confident138 Ų13894.5 Ų94.574%0.73850%0.497SS*.THydrogen-bonded Turntrans-99.6-6.7-178.1-51-71000112.9D165D165-N167 PolarHBondContact O-N 3.38Å; D165-N167 WeakPolarHBondContact OD1-CB 3.37Å; D165-N167 PolarHBondContact OD1-N 3.05Å; D165-N167 PolarHBondContact OD1-ND2 3.09Å
168I71.4Confident75.1Confident85 Ų8591.8 Ų91.844%0.43649%0.489SS..SBendtrans-90.2129.2179.5-54.6179.2000108.4D165 A172 A173D165-I168 HydrophobicContact CB-CD1 3.61Å; D165-I168 HydrophobicContact CB-CG1 3.81Å; D165-I168 PolarHBondContact O-N 3Å; D165-I168 WeakPolarHBondContact OD2-CD1 3.27Å; D165-I168 WeakPolarHBondContact OD2-CG1 3.36Å; I168-A172 HydrophobicContact CG2-CB 3.77Å; I168-A173 HydrophobicContact CG2-CB 3.95Å
169D74.3Confident75.8Confident111 Ų11188 Ų8859%0.59448%0.484SS*.  trans-67.1149.4173.1-174.744.9000111.1E171 A172 A173D169-E171 PolarHBondContact O-N 3.34Å; D169-A172 HydrophobicContact CB-CB 4.35Å; D169-A172 PolarHBondContact O-N 3.43Å; D169-A173 PolarHBondContact O-N 3.3Å
170E74.3Confident76.5Confident171 Ų17191.5 Ų91.580%0.79950%0.498SS*.Hα-helixtrans-56.9-40.1-175.8-175.8175.7-155.400111.7A173 L174E170-A173 PolarHBondContact O-N 3.13Å; E170-L174 WeakPolarHBondContact O-CB 3.5Å; E170-L174 PolarHBondContact O-N 3.05Å
171E79.4Confident77.1Confident113 Ų11391 Ų9153%0.52851%0.509SS..Hα-helixtrans-63.7-44.7176.6-172.962.4-143.300111.3D169 A173 L174 Q175D169-E171 PolarHBondContact O-N 3.34Å; E171-A173 PolarHBondContact O-N 3.03Å; E171-L174 PolarHBondContact O-N 3.01Å; E171-Q175 WeakPolarHBondContact O-CB 2.91Å; E171-Q175 PolarHBondContact O-N 3.05Å
172A82.3Confident77.8Confident46 Ų4693.5 Ų93.538%0.3852%0.521SS..Hα-helixtrans-66.2-37.4179.300000112.2I168 D169 A176I168-A172 HydrophobicContact CG2-CB 3.77Å; D169-A172 HydrophobicContact CB-CB 4.35Å; D169-A172 PolarHBondContact O-N 3.43Å; A172-A176 WeakPolarHBondContact O-CB 3.45Å; A172-A176 PolarHBondContact O-N 3.2Å
173A81.1Confident78.2Confident48 Ų4892.6 Ų92.640%0.39752%0.519SS..Hα-helixtrans-66.3-43175.300000111.5I168 D169 E170 E171 A176 A177I168-A173 HydrophobicContact CG2-CB 3.95Å; D169-A173 PolarHBondContact O-N 3.3Å; E170-A173 PolarHBondContact O-N 3.13Å; E171-A173 PolarHBondContact O-N 3.03Å; A173-A176 PolarHBondContact O-N 2.97Å; A173-A177 PolarHBondContact O-N 3.4Å
174L83.2Confident77.9Confident94 Ų9493.5 Ų93.549%0.49253%0.525SS..Hα-helixtrans-62.5-45.8176.3179.360.3000111.4E170 E171 A176 A177 L178E170-L174 WeakPolarHBondContact O-CB 3.5Å; E170-L174 PolarHBondContact O-N 3.05Å; E171-L174 PolarHBondContact O-N 3.01Å; L174-A176 VanDerWaalsContact C-N 3.34Å; L174-A176 PolarHBondContact O-N 3.04Å; L174-A177 PolarHBondContact O-N 2.86Å; L174-L178 HydrophobicContact CD1-CD1 4.46Å; L174-L178 HydrophobicContact CD1-CG 4.48Å; L174-L178 HydrophobicContact CG-CD1 4.23Å; L174-L178 WeakPolarHBondContact O-CG 3.46Å; L174-L178 PolarHBondContact O-N 3.32Å
175Q84.4Confident77Confident123 Ų123101 Ų10158%0.57556%0.564SS**Hα-helixtrans-66.2-36.7-178.7-145.5162.52.900112.1E171 L178 A179E171-Q175 WeakPolarHBondContact O-CB 2.91Å; E171-Q175 PolarHBondContact O-N 3.05Å; Q175-L178 PolarHBondContact O-N 3.03Å; Q175-A179 WeakPolarHBondContact O-CB 3.43Å; Q175-A179 PolarHBondContact O-N 3.45Å
176A83.6Confident77.4Confident52 Ų52101.7 Ų101.743%0.4357%0.569SS.*Hα-helixtrans-65.2-42.6172.500000112.3A172 A173 L174 A179 L180A172-A176 WeakPolarHBondContact O-CB 3.45Å; A172-A176 PolarHBondContact O-N 3.2Å; A173-A176 PolarHBondContact O-N 2.97Å; L174-A176 VanDerWaalsContact C-N 3.34Å; L174-A176 PolarHBondContact O-N 3.04Å; A176-A179 PolarHBondContact O-N 3.34Å; A176-L180 WeakPolarHBondContact O-CG 3.46Å; A176-L180 PolarHBondContact O-N 3.29Å
177A84.3Confident77.8Confident51 Ų51104.8 Ų104.842%0.42159%0.59SS.*Hα-helixtrans-63.3-41.2176.500000111.9A173 L174 S181A173-A177 PolarHBondContact O-N 3.4Å; L174-A177 PolarHBondContact O-N 2.86Å; A177-S181 WeakPolarHBondContact O-CB 3.29Å; A177-S181 PolarHBondContact O-N 3.48Å; A177-S181 PolarHBondContact O-OG 2.73Å
178L87.1Confident78.4Confident98 Ų98102.9 Ų102.951%0.51358%0.582SS.*Hα-helixtrans-63.6-43.4174.6-70170.7000111.6L174 Q175 S181 L182L174-L178 HydrophobicContact CD1-CD1 4.46Å; L174-L178 HydrophobicContact CD1-CG 4.48Å; L174-L178 HydrophobicContact CG-CD1 4.23Å; L174-L178 WeakPolarHBondContact O-CG 3.46Å; L174-L178 PolarHBondContact O-N 3.32Å; Q175-L178 PolarHBondContact O-N 3.03Å; L178-S181 PolarHBondContact O-N 3.31Å; L178-L182 VanDerWaalsContact O-CG 3.29Å; L178-L182 WeakPolarHBondContact O-CG 3.39Å; L178-L182 PolarHBondContact O-N 3.02Å
179A86.4Confident78.8Confident59 Ų59104 Ų10449%0.48859%0.59SS.*Hα-helixtrans-63.4-43.8178.700000112.5Q175 A176 L182 S183Q175-A179 WeakPolarHBondContact O-CB 3.43Å; Q175-A179 PolarHBondContact O-N 3.45Å; A176-A179 PolarHBondContact O-N 3.34Å; A179-L182 PolarHBondContact O-N 2.97Å; A179-S183 PolarHBondContact O-N 3.11Å; A179-S183 VanDerWaalsContact O-N 3.11Å; A179-S183 PolarHBondContact O-OG 3.41Å
180L84.9Confident79Confident114 Ų114103.6 Ų103.660%0.59759%0.59SS**Hα-helixtrans-60.8-46.4174.7-75.8166.4000111.3A176 L182 S183 E184A176-L180 WeakPolarHBondContact O-CG 3.46Å; A176-L180 PolarHBondContact O-N 3.29Å; L180-L182 PolarHBondContact O-N 2.8Å; L180-S183 WeakPolarHBondContact CA-OG 3.46Å; L180-S183 PolarHBondContact O-N 3.26Å; L180-S183 PolarHBondContact O-OG 3.2Å; L180-E184 PolarHBondContact O-N 3.02Å
181S83.3Confident79.4Confident84 Ų8499.1 Ų99.159%0.58758%0.576SS**Hα-helixtrans-60.9-31.8178.4-54.30000112.9A177 L178A177-S181 WeakPolarHBondContact O-CB 3.29Å; A177-S181 PolarHBondContact O-N 3.48Å; A177-S181 PolarHBondContact O-OG 2.73Å; L178-S181 PolarHBondContact O-N 3.31Å
182L83Confident79.4Confident140 Ų14098.1 Ų98.173%0.73358%0.579SS**Hα-helixtrans-80.2-20.9176.6-72.4165.9000113.2L178 A179 L180L178-L182 VanDerWaalsContact O-CG 3.29Å; L178-L182 WeakPolarHBondContact O-CG 3.39Å; L178-L182 PolarHBondContact O-N 3.02Å; A179-L182 PolarHBondContact O-N 2.97Å; L180-L182 PolarHBondContact O-N 2.8Å
183S77.8Confident79.1Confident82 Ų82102.1 Ų102.157%0.57360%0.595SS**Hα-helixtrans-92-15.7-178.268.60000114.5A179 L180 N185A179-S183 PolarHBondContact O-N 3.11Å; A179-S183 VanDerWaalsContact O-N 3.11Å; A179-S183 PolarHBondContact O-OG 3.41Å; L180-S183 WeakPolarHBondContact CA-OG 3.46Å; L180-S183 PolarHBondContact O-N 3.26Å; L180-S183 PolarHBondContact O-OG 3.2Å; S183-N185 VanDerWaalsContact C-N 3.29Å
184E61Low79Confident175 Ų175106.6 Ų106.682%0.81861%0.611SS**  trans-89.215.1175.7-72.8-167.9117.200113.5L180L180-E184 PolarHBondContact O-N 3.02Å
185N48.6Very low78.6Confident207 Ų207107.7 Ų107.7100%1.10762%0.622SS**  trans-126.80176.5-162.580.4000111.4S183S183-N185 VanDerWaalsContact C-N 3.29Å

Retrieved 185 of 185 residues in 587.4 ms (Link to these results)

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