A0A077Z8I4_TRITR Loading...

Ank 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z8I4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 546 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
1M33.3Very low66.2Low229 Ų22989.5 Ų89.5100%1.12851%0.509SS*.  0104.70-65.5-69.7-177.400106.4A3M1-A3 PolarHBondContact O-N 3.28Å
2P38Very low67.7Low127 Ų12786.1 Ų86.183%0.82548%0.482SS*.  trans-60.2131.1175.627.3-30.4000106.8G4P2-G4 PolarHBondContact O-N 3.1Å
3A45.8Very low68.8Low94 Ų9480.3 Ų80.378%0.77745%0.45SS*.  trans-51.8110.2179.400000107.2M1 D5M1-A3 PolarHBondContact O-N 3.28Å; A3-D5 PolarHBondContact O-N 3.26Å; A3-D5 VanDerWaalsContact O-N 3.11Å
4G49.1Very low69.2Low63 Ų6376 Ų7665%0.64943%0.427SS*.  trans-55.312417900000107.4P2 K6P2-G4 PolarHBondContact O-N 3.1Å; G4-K6 PolarHBondContact O-N 3.27Å
5D57.3Low68.9Low155 Ų15581.3 Ų81.383%0.82946%0.455SS*.  trans-48.9106.2-178.1-74.8-33.1000108.6A3 Q7A3-D5 PolarHBondContact O-N 3.26Å; A3-D5 VanDerWaalsContact O-N 3.11Å; D5-Q7 PolarHBondContact O-N 3.1Å
6K69.7Low68.4Low168 Ų16880.5 Ų80.573%0.7346%0.455SS*.  trans-70.1105.1-179.2-81.8-175.8176.8179.80107.1G4 F8G4-K6 PolarHBondContact O-N 3.27Å; K6-F8 HydrophobicContact CB-CE2 4.25Å; K6-F8 HydrophobicContact CB-CZ 4.41Å
7Q83.4Confident67.5Low87 Ų8786.9 Ų86.941%0.40748%0.48SS..  trans-91.6132.7170.5-72-172.4-1600110.3D5 Y9 F48D5-Q7 PolarHBondContact O-N 3.1Å; Q7-Y9 HydrophobicContact CB-CE2 3.94Å; Q7-Y9 PolarHBondContact OE1-OH 3.45Å; Q7-F48 WeakPolarHBondContact CA-O 3.22Å
8F87.6Confident66.4Low26 Ų2686.4 Ų86.411%0.11450%0.498CS..EExtended strand (participates in β ladder)trans-104.1125.8174.6-61.6-83.9000109.3K6 V24 N26 A47 F48 E51 A54K6-F8 HydrophobicContact CB-CE2 4.25Å; K6-F8 HydrophobicContact CB-CZ 4.41Å; F8-V24 HydrophobicContact CB-CG1 3.91Å; F8-V24 HydrophobicContact CD1-CG1 4.14Å; F8-V24 HydrophobicContact CG-CG1 4.48Å; F8-N26 WeakPolarHBondContact CD1-OD1 3.38Å; F8-A47 CarbonylContact O-C 3.59Å; F8-A47 WeakPolarHBondContact O-CA 3.34Å; F8-F48 PolarHBondContact N-O 3.46Å; F8-F48 PolarHBondContact O-N 3.15Å; F8-E51 HydrophobicContact CD1-CB 3.95Å; F8-E51 HydrophobicContact CD1-CG 3.8Å; F8-E51 HydrophobicContact CD2-CB 4.06Å; F8-E51 HydrophobicContact CE1-CB 3.83Å; F8-E51 HydrophobicContact CE1-CG 3.82Å; F8-E51 HydrophobicContact CE2-CB 3.95Å; F8-E51 HydrophobicContact CG-CB 4.05Å; F8-E51 HydrophobicContact CG-CG 4.28Å; F8-E51 HydrophobicContact CZ-CB 3.83Å; F8-E51 HydrophobicContact CZ-CG 4.33Å; F8-A54 HydrophobicContact CB-CB 3.82Å
9Y88.2Confident65.7Low35 Ų3592.5 Ų92.514%0.13752%0.522CS..EExtended strand (participates in β ladder)trans-104.2109.6-179.9-63-93.9000109.4Q7 V24 F25 L28 A31 K46 A47Q7-Y9 HydrophobicContact CB-CE2 3.94Å; Q7-Y9 PolarHBondContact OE1-OH 3.45Å; Y9-V24 CarbonylContact O-C 3.39Å; Y9-V24 WeakPolarHBondContact O-CA 3.04Å; Y9-F25 PolarHBondContact N-O 3.21Å; Y9-F25 PolarHBondContact O-N 3.18Å; Y9-L28 HydrophobicContact CD1-CB 4.33Å; Y9-L28 HydrophobicContact CD1-CD1 3.83Å; Y9-L28 HydrophobicContact CE1-CB 3.81Å; Y9-L28 HydrophobicContact CE1-CD1 3.58Å; Y9-L28 HydrophobicContact CE1-CG 4.24Å; Y9-L28 HydrophobicContact CE2-CB 4.32Å; Y9-A31 VanDerWaalsContact CB-CB 3.49Å; Y9-A31 HydrophobicContact CG-CB 4.29Å; Y9-K46 CarbonylContact C-O 3.59Å; Y9-K46 WeakPolarHBondContact CA-O 3.39Å; Y9-A47 HydrophobicContact CD1-CB 3.72Å; Y9-A47 HydrophobicContact CE1-CB 3.56Å
10A89.2Confident65.1Low0 Ų090.1 Ų90.10%052%0.519CS..EExtended strand (participates in β ladder)trans-95.7136.7179.200000111.1Y23 V24 F45 K46 F48 A54 F57 C58A10-Y23 CarbonylContact C-O 3.56Å; A10-Y23 WeakPolarHBondContact CA-O 3.29Å; A10-V24 HydrophobicContact CB-CG2 4.37Å; A10-F45 CarbonylContact O-C 3.55Å; A10-F45 WeakPolarHBondContact O-CA 3.49Å; A10-F45 WeakPolarHBondContact O-CB 3.48Å; A10-K46 PolarHBondContact N-O 2.68Å; A10-K46 PolarHBondContact O-N 3.5Å; A10-F48 HydrophobicContact CB-CD2 3.96Å; A10-F48 HydrophobicContact CB-CE2 3.79Å; A10-A54 HydrophobicContact CB-CB 3.96Å; A10-A54 WeakPolarHBondContact CB-O 3.38Å; A10-F57 HydrophobicContact CB-CB 4.25Å; A10-F57 HydrophobicContact CB-CD1 3.68Å; A10-F57 HydrophobicContact CB-CG 4.4Å; A10-C58 VanDerWaalsContact CB-SG 3.52Å
11V86.8Confident64.8Low0 Ų088.2 Ų88.20%052%0.519CS..EExtended strand (participates in β ladder)trans-111.8117.3173.7-171.10000108.9V13 Y23 F25 A31 C34 A35 A43 R44 F45V11-V13 HydrophobicContact CG1-CG2 4.22Å; V11-Y23 PolarHBondContact N-O 2.92Å; V11-F25 HydrophobicContact CG2-CD2 3.98Å; V11-F25 HydrophobicContact CG2-CE2 3.67Å; V11-A31 HydrophobicContact CG2-CB 4.04Å; V11-C34 HydrophobicContact CG2-CB 4.18Å; V11-A35 HydrophobicContact CG1-CB 4.04Å; V11-A43 HydrophobicContact CG1-CB 4.46Å; V11-R44 CarbonylContact C-O 3.47Å; V11-R44 WeakPolarHBondContact CA-O 3.31Å; V11-F45 HydrophobicContact CB-CB 4.24Å; V11-F45 HydrophobicContact CG1-CB 4.33Å; V11-F45 HydrophobicContact CG2-CB 3.74Å
12Y84.5Confident66.6Low49 Ų4980 Ų8019%0.19248%0.483CS..EExtended strand (participates in β ladder)trans-93.7129.5170.2172-107.9000109.3P14 A43 R44 C58Y12-P14 HydrophobicContact CD1-CG 4.37Å; Y12-P14 HydrophobicContact CE1-CB 4.41Å; Y12-P14 HydrophobicContact CE1-CG 3.8Å; Y12-A43 CarbonylContact O-C 3.58Å; Y12-A43 VanDerWaalsContact O-CA 3.26Å; Y12-A43 WeakPolarHBondContact O-CA 3.4Å; Y12-R44 PolarHBondContact N-O 2.97Å; Y12-R44 PolarHBondContact O-N 3.22Å; Y12-C58 WeakPolarHBondContact CD2-O 3.39Å
13V81.3Confident68.8Low11 Ų1176.7 Ų76.77%0.06745%0.454CS..  trans-119.9113.4176.3-173.70000108.1V11 C16 Y23 F38 A43V11-V13 HydrophobicContact CG1-CG2 4.22Å; V13-C16 HydrophobicContact CB-CB 4.18Å; V13-C16 HydrophobicContact CG1-CB 4.16Å; V13-C16 VanDerWaalsContact CG1-SG 3.57Å; V13-Y23 HydrophobicContact CG2-CD2 4.26Å; V13-Y23 HydrophobicContact CG2-CE2 4.17Å; V13-F38 HydrophobicContact CB-CG 4.45Å; V13-F38 HydrophobicContact CG1-CB 3.75Å; V13-F38 HydrophobicContact CG1-CD1 3.87Å; V13-F38 HydrophobicContact CG1-CG 3.82Å; V13-F38 HydrophobicContact CG2-CB 3.91Å; V13-F38 HydrophobicContact CG2-CD1 4.41Å; V13-F38 HydrophobicContact CG2-CD2 3.64Å; V13-F38 HydrophobicContact CG2-CE2 4.25Å; V13-F38 HydrophobicContact CG2-CG 3.74Å; V13-A43 HydrophobicContact CB-CB 4.47Å; V13-A43 HydrophobicContact CG1-CB 4.42Å; V13-A43 HydrophobicContact CG2-CB 3.94Å
14P74.1Confident70.7Confident20 Ų2073.7 Ų73.713%0.1343%0.426CS..THydrogen-bonded Turntrans-55.5142.2171.6-20.830000111.4Y12 C16 S41 G42Y12-P14 HydrophobicContact CD1-CG 4.37Å; Y12-P14 HydrophobicContact CE1-CB 4.41Å; Y12-P14 HydrophobicContact CE1-CG 3.8Å; P14-C16 PolarHBondContact O-N 3.02Å; P14-C16 VanDerWaalsContact O-N 3.08Å; P14-S41 WeakPolarHBondContact CB-O 3.39Å; P14-S41 VanDerWaalsContact CD-O 3.23Å; P14-S41 WeakPolarHBondContact CD-O 3.34Å; P14-S41 WeakPolarHBondContact CG-O 3.46Å; P14-G42 WeakPolarHBondContact CD-O 3.37Å; P14-G42 WeakPolarHBondContact CG-O 3.47Å
15D65.9Low72.6Confident156 Ų15672.9 Ų72.983%0.83441%0.405SS*.THydrogen-bonded Turntrans61.511.6173.5-49.7-34.4000116.7E17D15-E17 VanDerWaalsContact C-N 3.34Å; D15-E17 PolarHBondContact O-N 3.24Å; D15-E17 VanDerWaalsContact O-N 3.1Å
16C60.4Low74Confident68 Ų6871 Ų7146%0.45940%0.395SS..  trans-80.781.9165.9-89.20000110.1V13 P14 G18V13-C16 HydrophobicContact CB-CB 4.18Å; V13-C16 HydrophobicContact CG1-CB 4.16Å; V13-C16 VanDerWaalsContact CG1-SG 3.57Å; P14-C16 PolarHBondContact O-N 3.02Å; P14-C16 VanDerWaalsContact O-N 3.08Å; C16-G18 PolarHBondContact O-N 3.42Å; C16-G18 VanDerWaalsContact O-N 3.15Å
17E52.4Low74.7Confident190 Ų19066 Ų6689%0.88838%0.378SS*.  trans-70.3102.8169.4-64.8-170.2165.600110D15 E19D15-E17 VanDerWaalsContact C-N 3.34Å; D15-E17 PolarHBondContact O-N 3.24Å; D15-E17 VanDerWaalsContact O-N 3.1Å; E17-E19 PolarHBondContact O-N 3.45Å
18G49Very low74.7Confident78 Ų7865 Ų6580%0.80438%0.376SS*.SBendtrans93.3-25.3144.600000120.9C16C16-G18 PolarHBondContact O-N 3.42Å; C16-G18 VanDerWaalsContact O-N 3.15Å
19E51.6Low74.5Confident201 Ų20172.2 Ų72.294%0.93941%0.407SS*.SBendtrans-98.7-13.5-169.1-70.5-165.2161.300116.8E17E17-E19 PolarHBondContact O-N 3.45Å
20G53.6Low74.5Confident45 Ų4574.9 Ų74.946%0.46442%0.421SS..SBendtrans-101-10.3-171.600000117.6
21G59.5Low74.3Confident51 Ų5174.9 Ų74.953%0.52642%0.421SS..  trans61.6170.9-17000000114Y23G21-Y23 PolarHBondContact O-N 2.97Å
22P72Confident74.2Confident57 Ų5779.9 Ų79.937%0.3744%0.442SS..  trans-70.4116.7-18026.8-32.6000111.4V24 C58P22-V24 PolarHBondContact O-N 3.36Å; P22-C58 HydrophobicContact CB-CB 3.68Å
23Y82.5Confident74.3Confident57 Ų5782.1 Ų82.122%0.22446%0.461CS..EExtended strand (participates in β ladder)trans-75.187178.9-60.2-71.1000112.2A10 V11 V13 G21 F25 F38 C58A10-Y23 CarbonylContact C-O 3.56Å; A10-Y23 WeakPolarHBondContact CA-O 3.29Å; V11-Y23 PolarHBondContact N-O 2.92Å; V13-Y23 HydrophobicContact CG2-CD2 4.26Å; V13-Y23 HydrophobicContact CG2-CE2 4.17Å; G21-Y23 PolarHBondContact O-N 2.97Å; Y23-F25 HydrophobicContact CD1-CZ 4.43Å; Y23-F38 HydrophobicContact CE1-CE2 4.41Å; Y23-F38 HydrophobicContact CE2-CE2 4.17Å; Y23-F38 HydrophobicContact CE2-CZ 4.45Å; Y23-F38 AromaticContact CZ-CE2 3.92Å; Y23-F38 WeakPolarHBondContact OH-CZ 3.38Å; Y23-C58 PolarHBondContact O-SG 3.18Å
24V86.5Confident74.4Confident30 Ų3082 Ų8218%0.18246%0.461CS..EExtended strand (participates in β ladder)trans-114.7128.4175.4-176.60000109.9F8 Y9 A10 P22 E51 A54 R55F8-V24 HydrophobicContact CB-CG1 3.91Å; F8-V24 HydrophobicContact CD1-CG1 4.14Å; F8-V24 HydrophobicContact CG-CG1 4.48Å; Y9-V24 CarbonylContact O-C 3.39Å; Y9-V24 WeakPolarHBondContact O-CA 3.04Å; A10-V24 HydrophobicContact CB-CG2 4.37Å; P22-V24 PolarHBondContact O-N 3.36Å; V24-E51 HydrophobicContact CG1-CG 4.47Å; V24-A54 HydrophobicContact CG1-CB 3.93Å; V24-A54 HydrophobicContact CG2-CB 4.13Å; V24-R55 HydrophobicContact CG2-CG 3.8Å
25F89.4Confident74.8Confident47 Ų4781.5 Ų81.521%0.20646%0.458CS..EExtended strand (participates in β ladder)trans-122.4151.5-176.2-57-78.8000111.5Y9 V11 Y23 E30 A31 C34Y9-F25 PolarHBondContact N-O 3.21Å; Y9-F25 PolarHBondContact O-N 3.18Å; V11-F25 HydrophobicContact CG2-CD2 3.98Å; V11-F25 HydrophobicContact CG2-CE2 3.67Å; Y23-F25 HydrophobicContact CD1-CZ 4.43Å; F25-E30 HydrophobicContact CB-CB 3.86Å; F25-E30 HydrophobicContact CD1-CB 3.43Å; F25-E30 VanDerWaalsContact CD1-CB 3.43Å; F25-E30 HydrophobicContact CD1-CG 4.36Å; F25-E30 HydrophobicContact CE1-CB 4.09Å; F25-E30 HydrophobicContact CG-CB 3.7Å; F25-A31 HydrophobicContact CB-CB 4.32Å; F25-A31 VanDerWaalsContact CD2-CA 3.47Å; F25-A31 HydrophobicContact CD2-CB 3.77Å; F25-A31 HydrophobicContact CG-CB 4.36Å; F25-C34 HydrophobicContact CE2-CB 3.57Å; F25-C34 HydrophobicContact CZ-CB 3.58Å
26N86Confident75.7Confident115 Ų11579.8 Ų79.862%0.61545%0.448SS*.SBendtrans-90.6-7.1176.1-64.1-32.1000112.2F8F8-N26 WeakPolarHBondContact CD1-OD1 3.38Å
27T84Confident76.7Confident62 Ų6283.7 Ų83.738%0.3846%0.46SS..SBendtrans-129.4142.9177.970.80000112.4K29 E30 A31T27-K29 PolarHBondContact O-N 3.38Å; T27-E30 PolarHBondContact N-OE2 3.41Å; T27-E30 PolarHBondContact O-N 2.88Å; T27-E30 WeakPolarHBondContact OG1-CG 3.5Å; T27-E30 PolarHBondContact OG1-N 3.43Å; T27-E30 PolarHBondContact OG1-OE2 3.41Å; T27-A31 PolarHBondContact O-N 2.88Å
28L84Confident78Confident68 Ų6876.4 Ų76.436%0.35643%0.426SS..Hα-helixtrans-59.7-30.3175.5179.764.5000112.6Y9 K32 F45Y9-L28 HydrophobicContact CD1-CB 4.33Å; Y9-L28 HydrophobicContact CD1-CD1 3.83Å; Y9-L28 HydrophobicContact CE1-CB 3.81Å; Y9-L28 HydrophobicContact CE1-CD1 3.58Å; Y9-L28 HydrophobicContact CE1-CG 4.24Å; Y9-L28 HydrophobicContact CE2-CB 4.32Å; L28-K32 HydrophobicContact CD1-CD 4.49Å; L28-K32 HydrophobicContact CD1-CG 4.37Å; L28-K32 HydrophobicContact CG-CD 4.27Å; L28-K32 WeakPolarHBondContact O-CB 3.41Å; L28-K32 WeakPolarHBondContact O-CG 3.47Å; L28-K32 PolarHBondContact O-N 3.49Å; L28-F45 HydrophobicContact CD1-CD2 4.47Å; L28-F45 HydrophobicContact CD1-CE2 3.6Å; L28-F45 HydrophobicContact CD1-CZ 4.32Å
29K84.4Confident79.3Confident176 Ų17679.8 Ų79.877%0.76542%0.418SS*.Hα-helixtrans-65.7-47.6-179.5-73.3-174.2-180179.50111T27 K32 T33T27-K29 PolarHBondContact O-N 3.38Å; K29-K32 PolarHBondContact O-N 2.89Å; K29-T33 PolarHBondContact O-N 3.02Å; K29-T33 PolarHBondContact O-OG1 2.89Å
30E87.3Confident80.4Confident92 Ų9278.1 Ų78.143%0.4342%0.415SS..Hα-helixtrans-63.2-44.6179.2-67.1161.9156.500111.5F25 T27 K32 T33 C34F25-E30 HydrophobicContact CB-CB 3.86Å; F25-E30 HydrophobicContact CD1-CB 3.43Å; F25-E30 VanDerWaalsContact CD1-CB 3.43Å; F25-E30 HydrophobicContact CD1-CG 4.36Å; F25-E30 HydrophobicContact CE1-CB 4.09Å; F25-E30 HydrophobicContact CG-CB 3.7Å; T27-E30 PolarHBondContact N-OE2 3.41Å; T27-E30 PolarHBondContact O-N 2.88Å; T27-E30 WeakPolarHBondContact OG1-CG 3.5Å; T27-E30 PolarHBondContact OG1-N 3.43Å; T27-E30 PolarHBondContact OG1-OE2 3.41Å; E30-K32 VanDerWaalsContact C-N 3.34Å; E30-K32 PolarHBondContact O-N 3.41Å; E30-T33 PolarHBondContact O-N 2.98Å; E30-C34 PolarHBondContact O-N 3.48Å
31A85.2Confident81.5Confident0 Ų078.7 Ų78.70%041%0.413CS..Hα-helixtrans-62-39.4177.800000113.1Y9 V11 F25 T27 A35 F45Y9-A31 VanDerWaalsContact CB-CB 3.49Å; Y9-A31 HydrophobicContact CG-CB 4.29Å; V11-A31 HydrophobicContact CG2-CB 4.04Å; F25-A31 HydrophobicContact CB-CB 4.32Å; F25-A31 VanDerWaalsContact CD2-CA 3.47Å; F25-A31 HydrophobicContact CD2-CB 3.77Å; F25-A31 HydrophobicContact CG-CB 4.36Å; T27-A31 PolarHBondContact O-N 2.88Å; A31-A35 WeakPolarHBondContact O-CB 3.35Å; A31-A35 PolarHBondContact O-N 3.38Å; A31-F45 HydrophobicContact CB-CD2 4.23Å
32K85.3Confident82.3Confident104 Ų10478 Ų7845%0.45241%0.406SS..Hα-helixtrans-65-44174.9-81.2-179.2176.9-178.80112.1L28 K29 E30 C34 A35 L36 F45L28-K32 HydrophobicContact CD1-CD 4.49Å; L28-K32 HydrophobicContact CD1-CG 4.37Å; L28-K32 HydrophobicContact CG-CD 4.27Å; L28-K32 WeakPolarHBondContact O-CB 3.41Å; L28-K32 WeakPolarHBondContact O-CG 3.47Å; L28-K32 PolarHBondContact O-N 3.49Å; K29-K32 PolarHBondContact O-N 2.89Å; E30-K32 VanDerWaalsContact C-N 3.34Å; E30-K32 PolarHBondContact O-N 3.41Å; K32-C34 VanDerWaalsContact C-N 3.34Å; K32-A35 PolarHBondContact O-N 3.37Å; K32-L36 WeakPolarHBondContact O-CB 3.29Å; K32-L36 WeakPolarHBondContact O-CD1 3.47Å; K32-L36 WeakPolarHBondContact O-CG 3.45Å; K32-L36 PolarHBondContact O-N 2.88Å; K32-F45 HydrophobicContact CD-CZ 4.47Å; K32-F45 HydrophobicContact CG-CE1 4.01Å; K32-F45 HydrophobicContact CG-CE2 4.17Å; K32-F45 HydrophobicContact CG-CZ 3.57Å
33T85.8Confident82.8Confident96 Ų9676.3 Ų76.359%0.58940%0.396SS*.Hα-helixtrans-61.5-44.5178.5-55.90000111K29 E30 L36 Q37K29-T33 PolarHBondContact O-N 3.02Å; K29-T33 PolarHBondContact O-OG1 2.89Å; E30-T33 PolarHBondContact O-N 2.98Å; T33-L36 PolarHBondContact O-N 2.78Å; T33-Q37 PolarHBondContact O-N 3.42Å; T33-Q37 VanDerWaalsContact O-N 3.1Å
34C83.9Confident82.8Confident9 Ų981 Ų816%0.06141%0.413CS..Hα-helixtrans-62.6-48.5175.2179.80000112V11 F25 E30 K32 L36 Q37 F38V11-C34 HydrophobicContact CG2-CB 4.18Å; F25-C34 HydrophobicContact CE2-CB 3.57Å; F25-C34 HydrophobicContact CZ-CB 3.58Å; E30-C34 PolarHBondContact O-N 3.48Å; K32-C34 VanDerWaalsContact C-N 3.34Å; C34-L36 VanDerWaalsContact C-N 3.27Å; C34-L36 PolarHBondContact O-N 2.79Å; C34-Q37 VanDerWaalsContact O-CB 3.32Å; C34-Q37 WeakPolarHBondContact O-CB 3.46Å; C34-Q37 PolarHBondContact O-N 2.93Å; C34-Q37 VanDerWaalsContact O-N 3.08Å; C34-F38 VanDerWaalsContact O-CD2 3.27Å; C34-F38 WeakPolarHBondContact O-CD2 3.22Å; C34-F38 PolarHBondContact O-N 3.41Å
35A82.4Confident82.8Confident10 Ų1083.2 Ų83.28%0.08342%0.421CS..Hα-helixtrans-62.6-33.2178.500000113.2V11 A31 K32 F38 K39 F45V11-A35 HydrophobicContact CG1-CB 4.04Å; A31-A35 WeakPolarHBondContact O-CB 3.35Å; A31-A35 PolarHBondContact O-N 3.38Å; K32-A35 PolarHBondContact O-N 3.37Å; A35-F38 CarbonylContact O-C 3.56Å; A35-F38 PolarHBondContact O-N 3.43Å; A35-K39 PolarHBondContact O-N 3.48Å; A35-K39 VanDerWaalsContact O-N 3.15Å; A35-F45 HydrophobicContact CB-CB 4.39Å; A35-F45 HydrophobicContact CB-CD1 3.51Å; A35-F45 HydrophobicContact CB-CE1 4.22Å; A35-F45 HydrophobicContact CB-CG 4.3Å
36L84.5Confident82.6Confident119 Ų11985.4 Ų85.462%0.62343%0.43SS*.Hα-helixtrans-68.2-35.6174.3-82.3160.4000112.3K32 T33 C34 F38 K39K32-L36 WeakPolarHBondContact O-CB 3.29Å; K32-L36 WeakPolarHBondContact O-CD1 3.47Å; K32-L36 WeakPolarHBondContact O-CG 3.45Å; K32-L36 PolarHBondContact O-N 2.88Å; T33-L36 PolarHBondContact O-N 2.78Å; C34-L36 VanDerWaalsContact C-N 3.27Å; C34-L36 PolarHBondContact O-N 2.79Å; L36-F38 PolarHBondContact O-N 3.16Å; L36-K39 VanDerWaalsContact O-CB 3.3Å; L36-K39 WeakPolarHBondContact O-CB 3.47Å; L36-K39 PolarHBondContact O-N 2.99Å
37Q82.1Confident82.7Confident151 Ų15181.9 Ų81.971%0.70642%0.417SS*.Hα-helixtrans-62.3-34.3176-167.8174.71.500111.8T33 C34T33-Q37 PolarHBondContact O-N 3.42Å; T33-Q37 VanDerWaalsContact O-N 3.1Å; C34-Q37 VanDerWaalsContact O-CB 3.32Å; C34-Q37 WeakPolarHBondContact O-CB 3.46Å; C34-Q37 PolarHBondContact O-N 2.93Å; C34-Q37 VanDerWaalsContact O-N 3.08Å
38F79.8Confident82.9Confident37 Ų3780.1 Ų80.116%0.16240%0.404CS..THydrogen-bonded Turntrans-104.122.9178.8-60.1-73.2000113.4V13 Y23 C34 A35 L36 N40 S41 G42 A43V13-F38 HydrophobicContact CB-CG 4.45Å; V13-F38 HydrophobicContact CG1-CB 3.75Å; V13-F38 HydrophobicContact CG1-CD1 3.87Å; V13-F38 HydrophobicContact CG1-CG 3.82Å; V13-F38 HydrophobicContact CG2-CB 3.91Å; V13-F38 HydrophobicContact CG2-CD1 4.41Å; V13-F38 HydrophobicContact CG2-CD2 3.64Å; V13-F38 HydrophobicContact CG2-CE2 4.25Å; V13-F38 HydrophobicContact CG2-CG 3.74Å; Y23-F38 HydrophobicContact CE1-CE2 4.41Å; Y23-F38 HydrophobicContact CE2-CE2 4.17Å; Y23-F38 HydrophobicContact CE2-CZ 4.45Å; Y23-F38 AromaticContact CZ-CE2 3.92Å; Y23-F38 WeakPolarHBondContact OH-CZ 3.38Å; C34-F38 VanDerWaalsContact O-CD2 3.27Å; C34-F38 WeakPolarHBondContact O-CD2 3.22Å; C34-F38 PolarHBondContact O-N 3.41Å; A35-F38 CarbonylContact O-C 3.56Å; A35-F38 PolarHBondContact O-N 3.43Å; L36-F38 PolarHBondContact O-N 3.16Å; F38-N40 PolarHBondContact O-N 3.25Å; F38-S41 PolarHBondContact O-N 2.98Å; F38-G42 PolarHBondContact O-N 3.48Å; F38-A43 HydrophobicContact CB-CB 3.46Å; F38-A43 VanDerWaalsContact CB-CB 3.46Å; F38-A43 WeakPolarHBondContact O-CB 3.47Å; F38-A43 PolarHBondContact O-N 3.27Å
39K75.1Confident82.8Confident149 Ų14985.1 Ų85.165%0.64843%0.426SS*.G310 helixtrans-55.2-37.8-177.9-178.1-178.4176.7-173.10112.4A35 L36 S41 G42A35-K39 PolarHBondContact O-N 3.48Å; A35-K39 VanDerWaalsContact O-N 3.15Å; L36-K39 VanDerWaalsContact O-CB 3.3Å; L36-K39 WeakPolarHBondContact O-CB 3.47Å; L36-K39 PolarHBondContact O-N 2.99Å; K39-S41 VanDerWaalsContact C-N 3.3Å; K39-S41 PolarHBondContact O-N 3.46Å; K39-G42 PolarHBondContact O-N 2.95Å
40N75.5Confident82.8Confident165 Ų16580.3 Ų80.388%0.88241%0.408SS*.G310 helixtrans-74-21.3-178.8-64.3-13.8000113F38 G42F38-N40 PolarHBondContact O-N 3.25Å; N40-G42 VanDerWaalsContact C-N 3.33Å
41S77Confident82.6Confident58 Ų5879.3 Ų79.341%0.40640%0.403SS..G310 helixtrans-89.83.1177.1-49.20000112.8P14 F38 K39P14-S41 WeakPolarHBondContact CB-O 3.39Å; P14-S41 VanDerWaalsContact CD-O 3.23Å; P14-S41 WeakPolarHBondContact CD-O 3.34Å; P14-S41 WeakPolarHBondContact CG-O 3.46Å; F38-S41 PolarHBondContact O-N 2.98Å; K39-S41 VanDerWaalsContact C-N 3.3Å; K39-S41 PolarHBondContact O-N 3.46Å
42G74.7Confident82.6Confident37 Ų3787.4 Ų87.438%0.38144%0.439SS..THydrogen-bonded Turntrans75.928.9-178.800000114P14 F38 K39 N40P14-G42 WeakPolarHBondContact CD-O 3.37Å; P14-G42 WeakPolarHBondContact CG-O 3.47Å; F38-G42 PolarHBondContact O-N 3.48Å; K39-G42 PolarHBondContact O-N 2.95Å; N40-G42 VanDerWaalsContact C-N 3.33Å
43A82.7Confident82.6Confident20 Ų2085.1 Ų85.117%0.16543%0.433CS..  trans-59.9140.4178.600000113V11 Y12 V13 F38V11-A43 HydrophobicContact CG1-CB 4.46Å; Y12-A43 CarbonylContact O-C 3.58Å; Y12-A43 VanDerWaalsContact O-CA 3.26Å; Y12-A43 WeakPolarHBondContact O-CA 3.4Å; V13-A43 HydrophobicContact CB-CB 4.47Å; V13-A43 HydrophobicContact CG1-CB 4.42Å; V13-A43 HydrophobicContact CG2-CB 3.94Å; F38-A43 HydrophobicContact CB-CB 3.46Å; F38-A43 VanDerWaalsContact CB-CB 3.46Å; F38-A43 WeakPolarHBondContact O-CB 3.47Å; F38-A43 PolarHBondContact O-N 3.27Å
44R82.7Confident82.5Confident155 Ų15580.5 Ų80.559%0.58541%0.405SS*.EExtended strand (participates in β ladder)trans-133.4141.7-178.5-73176.8-89.9176.6-4.8108.9V11 Y12V11-R44 CarbonylContact C-O 3.47Å; V11-R44 WeakPolarHBondContact CA-O 3.31Å; Y12-R44 PolarHBondContact N-O 2.97Å; Y12-R44 PolarHBondContact O-N 3.22Å
45F87.2Confident82.6Confident77 Ų7785.4 Ų85.434%0.33842%0.422SS..EExtended strand (participates in β ladder)trans-129.2153.2177.274.6-87.2000112.1A10 V11 L28 A31 K32 A35A10-F45 CarbonylContact O-C 3.55Å; A10-F45 WeakPolarHBondContact O-CA 3.49Å; A10-F45 WeakPolarHBondContact O-CB 3.48Å; V11-F45 HydrophobicContact CB-CB 4.24Å; V11-F45 HydrophobicContact CG1-CB 4.33Å; V11-F45 HydrophobicContact CG2-CB 3.74Å; L28-F45 HydrophobicContact CD1-CD2 4.47Å; L28-F45 HydrophobicContact CD1-CE2 3.6Å; L28-F45 HydrophobicContact CD1-CZ 4.32Å; A31-F45 HydrophobicContact CB-CD2 4.23Å; K32-F45 HydrophobicContact CD-CZ 4.47Å; K32-F45 HydrophobicContact CG-CE1 4.01Å; K32-F45 HydrophobicContact CG-CE2 4.17Å; K32-F45 HydrophobicContact CG-CZ 3.57Å; A35-F45 HydrophobicContact CB-CB 4.39Å; A35-F45 HydrophobicContact CB-CD1 3.51Å; A35-F45 HydrophobicContact CB-CE1 4.22Å; A35-F45 HydrophobicContact CB-CG 4.3Å
46K85.5Confident82.6Confident94 Ų9488.6 Ų88.641%0.40944%0.437SS..EExtended strand (participates in β ladder)trans-150.8153.1179.6-167.2171.1-176.21790111.4Y9 A10 F48 F57 E63Y9-K46 CarbonylContact C-O 3.59Å; Y9-K46 WeakPolarHBondContact CA-O 3.39Å; A10-K46 PolarHBondContact N-O 2.68Å; A10-K46 PolarHBondContact O-N 3.5Å; K46-F48 HydrophobicContact CB-CE2 3.79Å; K46-F48 HydrophobicContact CB-CZ 4.16Å; K46-F48 HydrophobicContact CD-CZ 4.25Å; K46-F48 HydrophobicContact CG-CE2 4.24Å; K46-F48 HydrophobicContact CG-CZ 4.33Å; K46-F48 WeakPolarHBondContact O-CD2 3.5Å; K46-F57 HydrophobicContact CB-CE1 4.34Å; K46-F57 HydrophobicContact CB-CZ 4.29Å; K46-E63 IonicContact NZ-OE1 2.78Å; K46-E63 PolarHBondContact NZ-OE1 2.93Å
47A87.6Confident82.6Confident40 Ų4083.9 Ų83.933%0.33141%0.412SS..EExtended strand (participates in β ladder)trans-90.5143.5174.900000111.3F8 Y9F8-A47 CarbonylContact O-C 3.59Å; F8-A47 WeakPolarHBondContact O-CA 3.34Å; Y9-A47 HydrophobicContact CD1-CB 3.72Å; Y9-A47 HydrophobicContact CE1-CB 3.56Å
48F87.3Confident82.6Confident25 Ų2577.5 Ų77.511%0.1138%0.384CS..EExtended strand (participates in β ladder)trans-136.5148.9-179.3-65-90.2000109.4Q7 F8 A10 K46 T53 A54 F57Q7-F48 WeakPolarHBondContact CA-O 3.22Å; F8-F48 PolarHBondContact N-O 3.46Å; F8-F48 PolarHBondContact O-N 3.15Å; A10-F48 HydrophobicContact CB-CD2 3.96Å; A10-F48 HydrophobicContact CB-CE2 3.79Å; K46-F48 HydrophobicContact CB-CE2 3.79Å; K46-F48 HydrophobicContact CB-CZ 4.16Å; K46-F48 HydrophobicContact CD-CZ 4.25Å; K46-F48 HydrophobicContact CG-CE2 4.24Å; K46-F48 HydrophobicContact CG-CZ 4.33Å; K46-F48 WeakPolarHBondContact O-CD2 3.5Å; F48-T53 WeakPolarHBondContact CD1-OG1 3.32Å; F48-A54 HydrophobicContact CB-CB 3.96Å; F48-A54 HydrophobicContact CD2-CB 3.91Å; F48-A54 HydrophobicContact CG-CB 4.07Å; F48-F57 HydrophobicContact CE1-CB 4.3Å; F48-F57 HydrophobicContact CE2-CB 3.75Å; F48-F57 AromaticContact CE2-CD1 3.95Å; F48-F57 HydrophobicContact CE2-CD1 3.95Å; F48-F57 HydrophobicContact CE2-CD2 4.4Å; F48-F57 AromaticContact CE2-CG 3.77Å; F48-F57 HydrophobicContact CE2-CG 3.77Å; F48-F57 HydrophobicContact CZ-CB 3.46Å; F48-F57 VanDerWaalsContact CZ-CB 3.46Å; F48-F57 HydrophobicContact CZ-CD1 4.17Å; F48-F57 AromaticContact CZ-CD2 3.8Å; F48-F57 HydrophobicContact CZ-CD2 3.8Å; F48-F57 AromaticContact CZ-CG 3.53Å; F48-F57 HydrophobicContact CZ-CG 3.53Å
49E83.6Confident82.7Confident174 Ų17481.2 Ų81.281%0.81341%0.41SS*.SBendtrans-82.8-24.9175.2-66173.6-174.600111.8
50D83.7Confident82.7Confident74 Ų7476.5 Ų76.540%0.39640%0.395SS..SBendtrans-117.7131.7-178.7173.756.2000111.8K52 T53 A54D50-K52 VanDerWaalsContact C-N 3.29Å; D50-K52 PolarHBondContact O-N 3.29Å; D50-K52 VanDerWaalsContact OD2-CB 3.28Å; D50-K52 WeakPolarHBondContact OD2-CB 3.42Å; D50-K52 PolarHBondContact OD2-N 3.47Å; D50-T53 HydrophobicContact CB-CG2 4.26Å; D50-T53 PolarHBondContact O-N 3.32Å; D50-T53 PolarHBondContact O-OG1 3.16Å; D50-T53 PolarHBondContact OD2-N 2.93Å; D50-T53 VanDerWaalsContact OD2-N 3.15Å; D50-A54 PolarHBondContact O-N 3.38Å; D50-A54 VanDerWaalsContact O-N 3.1Å
51E84.1Confident82.5Confident71 Ų7169.6 Ų69.633%0.33236%0.363SS..Hα-helixtrans-63.9-33-177.7-164.5-174.4153.200112.3F8 V24 A54 R55F8-E51 HydrophobicContact CD1-CB 3.95Å; F8-E51 HydrophobicContact CD1-CG 3.8Å; F8-E51 HydrophobicContact CD2-CB 4.06Å; F8-E51 HydrophobicContact CE1-CB 3.83Å; F8-E51 HydrophobicContact CE1-CG 3.82Å; F8-E51 HydrophobicContact CE2-CB 3.95Å; F8-E51 HydrophobicContact CG-CB 4.05Å; F8-E51 HydrophobicContact CG-CG 4.28Å; F8-E51 HydrophobicContact CZ-CB 3.83Å; F8-E51 HydrophobicContact CZ-CG 4.33Å; V24-E51 HydrophobicContact CG1-CG 4.47Å; E51-A54 WeakPolarHBondContact O-CB 3.43Å; E51-A54 PolarHBondContact O-N 3.33Å; E51-R55 WeakPolarHBondContact O-CG 3.43Å; E51-R55 PolarHBondContact O-N 3.37Å; E51-R55 IonicContact OE1-CZ 2.88Å; E51-R55 VanDerWaalsContact OE1-CZ 3.25Å; E51-R55 IonicContact OE1-NE 2.74Å; E51-R55 PolarHBondContact OE1-NE 3.06Å; E51-R55 IonicContact OE1-NH2 2.97Å; E51-R55 PolarHBondContact OE1-NH2 3.47Å
52K84.9Confident82Confident171 Ų17174.3 Ų74.374%0.74338%0.376SS*.Hα-helixtrans-67.7-41.5179.1-60.7179.3176.6177.60110.9D50 A54 R55 L56D50-K52 VanDerWaalsContact C-N 3.29Å; D50-K52 PolarHBondContact O-N 3.29Å; D50-K52 VanDerWaalsContact OD2-CB 3.28Å; D50-K52 WeakPolarHBondContact OD2-CB 3.42Å; D50-K52 PolarHBondContact OD2-N 3.47Å; K52-A54 VanDerWaalsContact C-N 3.33Å; K52-R55 PolarHBondContact O-N 2.73Å; K52-L56 PolarHBondContact O-N 3.47Å
53T84Confident81.3Confident55 Ų5577.4 Ų77.434%0.33738%0.381SS..Hα-helixtrans-63.9-38.5173.864.80000112.4F48 D50 L56 F57F48-T53 WeakPolarHBondContact CD1-OG1 3.32Å; D50-T53 HydrophobicContact CB-CG2 4.26Å; D50-T53 PolarHBondContact O-N 3.32Å; D50-T53 PolarHBondContact O-OG1 3.16Å; D50-T53 PolarHBondContact OD2-N 2.93Å; D50-T53 VanDerWaalsContact OD2-N 3.15Å; T53-L56 PolarHBondContact O-N 3.33Å; T53-F57 PolarHBondContact O-N 2.98Å
54A85.1Confident79.7Confident0 Ų080.4 Ų80.40%040%0.401CS..Hα-helixtrans-60-48.217500000111.4F8 A10 V24 F48 D50 E51 K52 L56 F57 C58F8-A54 HydrophobicContact CB-CB 3.82Å; A10-A54 HydrophobicContact CB-CB 3.96Å; A10-A54 WeakPolarHBondContact CB-O 3.38Å; V24-A54 HydrophobicContact CG1-CB 3.93Å; V24-A54 HydrophobicContact CG2-CB 4.13Å; F48-A54 HydrophobicContact CB-CB 3.96Å; F48-A54 HydrophobicContact CD2-CB 3.91Å; F48-A54 HydrophobicContact CG-CB 4.07Å; D50-A54 PolarHBondContact O-N 3.38Å; D50-A54 VanDerWaalsContact O-N 3.1Å; E51-A54 WeakPolarHBondContact O-CB 3.43Å; E51-A54 PolarHBondContact O-N 3.33Å; K52-A54 VanDerWaalsContact C-N 3.33Å; A54-L56 VanDerWaalsContact C-N 3.32Å; A54-L56 PolarHBondContact O-N 3.46Å; A54-F57 WeakPolarHBondContact O-CB 3.4Å; A54-F57 PolarHBondContact O-N 2.98Å; A54-C58 PolarHBondContact O-N 2.99Å; A54-C58 VanDerWaalsContact O-N 3.17Å; A54-C58 PolarHBondContact O-SG 2.95Å
55R85.4Confident77.7Confident112 Ų11280.3 Ų80.342%0.42341%0.411SS..Hα-helixtrans-63.4-37.2177.7-71.1176.2179.7-89.4-0.7112.4V24 E51 K52 F57 C58 V59V24-R55 HydrophobicContact CG2-CG 3.8Å; E51-R55 WeakPolarHBondContact O-CG 3.43Å; E51-R55 PolarHBondContact O-N 3.37Å; E51-R55 IonicContact OE1-CZ 2.88Å; E51-R55 VanDerWaalsContact OE1-CZ 3.25Å; E51-R55 IonicContact OE1-NE 2.74Å; E51-R55 PolarHBondContact OE1-NE 3.06Å; E51-R55 IonicContact OE1-NH2 2.97Å; E51-R55 PolarHBondContact OE1-NH2 3.47Å; K52-R55 PolarHBondContact O-N 2.73Å; R55-F57 VanDerWaalsContact C-N 3.32Å; R55-F57 PolarHBondContact O-N 3.12Å; R55-C58 PolarHBondContact O-N 2.81Å; R55-V59 PolarHBondContact O-N 3.38Å
56L82.3Confident75.4Confident76 Ų7681.2 Ų81.240%0.39843%0.428SS..Hα-helixtrans-65.4-36.6176.7-164.178.2000112.1K52 T53 A54 V59 S60 S64K52-L56 PolarHBondContact O-N 3.47Å; T53-L56 PolarHBondContact O-N 3.33Å; A54-L56 VanDerWaalsContact C-N 3.32Å; A54-L56 PolarHBondContact O-N 3.46Å; L56-V59 PolarHBondContact O-N 3.43Å; L56-S60 PolarHBondContact O-N 3.44Å; L56-S60 PolarHBondContact O-OG 2.85Å; L56-S64 WeakPolarHBondContact CD2-OG 3.4Å
57F84Confident72.9Confident21 Ų2188.1 Ų88.19%0.09245%0.451CS..Hα-helixtrans-64.8-40.3174.3178.8-96.8000112A10 K46 F48 T53 A54 R55 V59 G61A10-F57 HydrophobicContact CB-CB 4.25Å; A10-F57 HydrophobicContact CB-CD1 3.68Å; A10-F57 HydrophobicContact CB-CG 4.4Å; K46-F57 HydrophobicContact CB-CE1 4.34Å; K46-F57 HydrophobicContact CB-CZ 4.29Å; F48-F57 HydrophobicContact CE1-CB 4.3Å; F48-F57 HydrophobicContact CE2-CB 3.75Å; F48-F57 AromaticContact CE2-CD1 3.95Å; F48-F57 HydrophobicContact CE2-CD1 3.95Å; F48-F57 HydrophobicContact CE2-CD2 4.4Å; F48-F57 AromaticContact CE2-CG 3.77Å; F48-F57 HydrophobicContact CE2-CG 3.77Å; F48-F57 HydrophobicContact CZ-CB 3.46Å; F48-F57 VanDerWaalsContact CZ-CB 3.46Å; F48-F57 HydrophobicContact CZ-CD1 4.17Å; F48-F57 AromaticContact CZ-CD2 3.8Å; F48-F57 HydrophobicContact CZ-CD2 3.8Å; F48-F57 AromaticContact CZ-CG 3.53Å; F48-F57 HydrophobicContact CZ-CG 3.53Å; T53-F57 PolarHBondContact O-N 2.98Å; A54-F57 WeakPolarHBondContact O-CB 3.4Å; A54-F57 PolarHBondContact O-N 2.98Å; R55-F57 VanDerWaalsContact C-N 3.32Å; R55-F57 PolarHBondContact O-N 3.12Å; F57-V59 PolarHBondContact O-N 3.47Å; F57-G61 WeakPolarHBondContact O-CA 3.26Å; F57-G61 PolarHBondContact O-N 3.09Å
58C83.2Confident70.2Confident17 Ų1794.6 Ų94.612%0.11547%0.472CS..Hα-helixtrans-58.9-29.8176.5-650000113.3A10 Y12 P22 Y23 A54 R55A10-C58 VanDerWaalsContact CB-SG 3.52Å; Y12-C58 WeakPolarHBondContact CD2-O 3.39Å; P22-C58 HydrophobicContact CB-CB 3.68Å; Y23-C58 PolarHBondContact O-SG 3.18Å; A54-C58 PolarHBondContact O-N 2.99Å; A54-C58 VanDerWaalsContact O-N 3.17Å; A54-C58 PolarHBondContact O-SG 2.95Å; R55-C58 PolarHBondContact O-N 2.81Å
59V80.8Confident67.6Low115 Ų11598.8 Ų98.870%0.69750%0.504SS*.Hα-helixtrans-91.6-46.1-177.8-179.40000111.6R55 L56 F57R55-V59 PolarHBondContact O-N 3.38Å; L56-V59 PolarHBondContact O-N 3.43Å; F57-V59 PolarHBondContact O-N 3.47Å
60S75.2Confident64.9Low50 Ų50102 Ų10235%0.3551%0.509SS..Hα-helixtrans-96.2-20-170.367.70000114.2L56 K62L56-S60 PolarHBondContact O-N 3.44Å; L56-S60 PolarHBondContact O-OG 2.85Å; S60-K62 PolarHBondContact O-N 3.37Å; S60-K62 VanDerWaalsContact O-N 3.09Å; S60-K62 PolarHBondContact OG-N 3.22Å; S60-K62 VanDerWaalsContact OG-N 3.1Å; S60-K62 PolarHBondContact OG-O 2.82Å; S60-K62 VanDerWaalsContact OG-O 3.09Å
61G71.6Confident62.4Low20 Ų20103.3 Ų103.321%0.20652%0.523CS..SBendtrans62.45.5-166.500000114.1F57F57-G61 WeakPolarHBondContact O-CA 3.26Å; F57-G61 PolarHBondContact O-N 3.09Å
62K66.7Low59.7Low156 Ų156109.2 Ų109.268%0.67855%0.549SS*.SBendtrans-118.1151.2-174.9-68-178.1-178.2178.70110.6S60S60-K62 PolarHBondContact O-N 3.37Å; S60-K62 VanDerWaalsContact O-N 3.09Å; S60-K62 PolarHBondContact OG-N 3.22Å; S60-K62 VanDerWaalsContact OG-N 3.1Å; S60-K62 PolarHBondContact OG-O 2.82Å; S60-K62 VanDerWaalsContact OG-O 3.09Å
63E59.1Low57.1Low103 Ų103108.9 Ų108.948%0.48156%0.555SS.*  trans-74.6140.7169.2-75.6179.9166.800109.6K46 D65K46-E63 IonicContact NZ-OE1 2.78Å; K46-E63 PolarHBondContact NZ-OE1 2.93Å; E63-D65 PolarHBondContact O-N 3.31Å; E63-D65 VanDerWaalsContact O-N 3.15Å
64S50.1Low54.6Low83 Ų83109.1 Ų109.158%0.5857%0.568SS**  trans-67.1109.1158.2-112.20000107.3L56 S66L56-S64 WeakPolarHBondContact CD2-OG 3.4Å; S64-S66 PolarHBondContact O-N 2.83Å
65D40.8Very low52.2Low152 Ų152112.5 Ų112.581%0.81360%0.603SS**  trans-51.1100.3-179.9-89-41.5000111.6E63E63-D65 PolarHBondContact O-N 3.31Å; E63-D65 VanDerWaalsContact O-N 3.15Å
66S37.7Very low50.2Low97 Ų97113.5 Ų113.568%0.67861%0.612SS**  trans-122.7106.6157.261.70000108S64S64-S66 PolarHBondContact O-N 2.83Å
67R33.3Very low48.6Very low239 Ų239114.4 Ų114.490%0.90262%0.621SS**SBendtrans69.359.9165.5-47.4-179.9-138.3168.95116.4
68K32.3Very low47.1Very low175 Ų175119 Ų11976%0.76165%0.652SS**  trans-129.2123.3142.6-74.1-174.7-179.11650109.7R70K68-R70 PolarHBondContact O-N 2.81Å
69S31.3Very low46.2Very low113 Ų113120 Ų12079%0.7966%0.66SS**  trans-36.1122.1173.649.80000111.7S71S69-S71 VanDerWaalsContact C-N 3.35Å; S69-S71 PolarHBondContact O-N 3.28Å
70R28.1Very low45.7Very low243 Ų243118.8 Ų118.892%0.91766%0.662SS**  trans-1.281.3157.7-73.3174.8165.1158.7-5.2113.2K68 F72K68-R70 PolarHBondContact O-N 2.81Å; R70-F72 PolarHBondContact O-N 3.47Å
71S30.7Very low46.1Very low100 Ų100118.1 Ų118.170%0.69965%0.653SS**  trans-74.4106.5162.555.20000105.1S69 N73S69-S71 VanDerWaalsContact C-N 3.35Å; S69-S71 PolarHBondContact O-N 3.28Å; S71-N73 PolarHBondContact O-N 3.32Å; S71-N73 VanDerWaalsContact O-N 3.11Å
72F27.9Very low46.7Very low196 Ų196120.8 Ų120.886%0.8667%0.673SS**  trans-46.1120167.5-97.2-104.4000108.7R70 G74R70-F72 PolarHBondContact O-N 3.47Å; F72-G74 PolarHBondContact O-N 2.69Å
73N29.6Very low47.6Very low164 Ų164119.2 Ų119.288%0.87767%0.666SS**  trans-71.549.5167.3-79.1-22.7000110.4S71 G75S71-N73 PolarHBondContact O-N 3.32Å; S71-N73 VanDerWaalsContact O-N 3.11Å; N73-G75 PolarHBondContact O-N 3.28Å
74G30.6Very low49.1Very low60 Ų60115.2 Ų115.262%0.61965%0.649SS**  trans-79.294.3167.600000107.5F72 E76F72-G74 PolarHBondContact O-N 2.69Å; G74-E76 PolarHBondContact O-N 2.85Å
75G35.4Very low51.1Low70 Ų70114.3 Ų114.372%0.72264%0.64SS**  trans-48.2130.1167.300000109N73 V77N73-G75 PolarHBondContact O-N 3.28Å; G75-V77 PolarHBondContact O-N 3.23Å; G75-V77 VanDerWaalsContact O-N 3.12Å
76E42.7Very low53.4Low134 Ų134111.9 Ų111.963%0.62663%0.633SS**  trans-45.1123.3179.8-79.7-177.7142.700109G74 P78G74-E76 PolarHBondContact O-N 2.85Å; E76-P78 VanDerWaalsContact O-CD 3.29Å; E76-P78 WeakPolarHBondContact O-CD 3.33Å; E76-P78 VanDerWaalsContact O-N 3.08Å
77V48.8Very low55.9Low94 Ų94115 Ų11557%0.5764%0.637SS**  trans-54.1121.6168.2-178.10000105.7G75 S79G75-V77 PolarHBondContact O-N 3.23Å; G75-V77 VanDerWaalsContact O-N 3.12Å; V77-S79 PolarHBondContact O-N 2.94Å
78P53.4Low58.8Low117 Ų117108 Ų10876%0.7661%0.614SS**  trans-53.9109.3-176.7-27.334.3000109.4E76E76-P78 VanDerWaalsContact O-CD 3.29Å; E76-P78 WeakPolarHBondContact O-CD 3.33Å; E76-P78 VanDerWaalsContact O-N 3.08Å
79S63.2Low61.8Low39 Ų39101.3 Ų101.327%0.27359%0.586SS.*  trans-73.2137.9177.9-174.30000108.4V77 F81V77-S79 PolarHBondContact O-N 2.94Å; S79-F81 PolarHBondContact O-N 3.43Å; S79-F81 VanDerWaalsContact O-N 3.15Å; S79-F81 PolarHBondContact OG-N 3Å; S79-F81 PolarHBondContact OG-O 3.32Å
80A72Confident64.7Low89 Ų8999.7 Ų99.774%0.73657%0.569SS**SBendtrans-66-8.517000000112.8
81F82.9Confident67.9Low36 Ų3690.5 Ų90.516%0.15854%0.542CS..SBendtrans-121.5130.6-175.3-57.4-75.1000111.8S79 P112 R113 R162 L163S79-F81 PolarHBondContact O-N 3.43Å; S79-F81 VanDerWaalsContact O-N 3.15Å; S79-F81 PolarHBondContact OG-N 3Å; S79-F81 PolarHBondContact OG-O 3.32Å; F81-P112 HydrophobicContact CE1-CG 4.26Å; F81-P112 HydrophobicContact CE2-CG 4.26Å; F81-P112 HydrophobicContact CZ-CG 4.08Å; F81-R113 HydrophobicContact CB-CG 3.95Å; F81-R113 WeakPolarHBondContact O-CD 3.21Å; F81-R113 PolarHBondContact O-NH1 3.47Å; F81-R162 HydrophobicContact CE2-CB 4.09Å; F81-R162 WeakPolarHBondContact CE2-O 3.31Å; F81-R162 HydrophobicContact CZ-CB 4.16Å; F81-L163 HydrophobicContact CD2-CD2 4.36Å
82A84.5Confident71.1Confident77 Ų7785.7 Ų85.764%0.63651%0.509SS*.PPolyproline II helixtrans-60.6142.4175.900000111.5P84 N111A82-P84 WeakPolarHBondContact O-CD 3.36Å; A82-N111 PolarHBondContact O-ND2 3.03Å
83K85.9Confident74.4Confident122 Ų12278.6 Ų78.653%0.5348%0.476SS..PPolyproline II helixtrans-66.3122.6175.6-174165.8-178.1154.70108.8T85 E119K83-T85 PolarHBondContact O-N 2.96Å; K83-E119 IonicContact NZ-OE1 3.3Å; K83-E119 PolarHBondContact NZ-OE1 3.41Å; K83-E119 IonicContact NZ-OE2 3.27Å
84P89.5Confident77.6Confident19 Ų1972.7 Ų72.712%0.12345%0.446CS..PPolyproline II helixtrans-59131.2-179.4-25.334.3000111.9A82 E88 L89 R113 L114A82-P84 WeakPolarHBondContact O-CD 3.36Å; P84-E88 WeakPolarHBondContact CA-OE2 3.33Å; P84-L89 HydrophobicContact CB-CD2 3.88Å; P84-L89 HydrophobicContact CB-CG 3.97Å; P84-R113 HydrophobicContact CG-CB 3.87Å; P84-L114 HydrophobicContact CB-CD2 3.64Å; P84-L114 HydrophobicContact CB-CG 4.5Å; P84-L114 HydrophobicContact CG-CD2 3.79Å; P84-L114 HydrophobicContact CG-CG 4.15Å
85T91.8Very high80.8Confident64 Ų6470 Ų7039%0.39342%0.417SS..PPolyproline II helixtrans-71156.4172.663.90000110.6K83 Q87 E88 L89K83-T85 PolarHBondContact O-N 2.96Å; T85-Q87 PolarHBondContact O-N 2.97Å; T85-Q87 VanDerWaalsContact O-N 3.17Å; T85-E88 PolarHBondContact N-OE2 3.39Å; T85-E88 PolarHBondContact O-N 2.99Å; T85-E88 VanDerWaalsContact O-N 3.12Å; T85-E88 VanDerWaalsContact OG1-CD 3.32Å; T85-E88 VanDerWaalsContact OG1-CG 3.24Å; T85-E88 WeakPolarHBondContact OG1-CG 3.34Å; T85-E88 PolarHBondContact OG1-N 3.4Å; T85-E88 PolarHBondContact OG1-OE2 3.36Å; T85-L89 PolarHBondContact O-N 3.46Å
86P89.7Confident83.8Confident101 Ų10166.6 Ų66.666%0.65638%0.383SS*.Hα-helixtrans-57.1-31175.3-26.535.4000113.8N90P86-N90 WeakPolarHBondContact O-CB 3.33Å; P86-N90 PolarHBondContact O-N 2.95Å
87Q91.3Very high86.3Confident163 Ų16362.4 Ų62.476%0.76236%0.363SS*.Hα-helixtrans-68.9-43176.9-68.9178.4-11.500111.6T85 N90 S91T85-Q87 PolarHBondContact O-N 2.97Å; T85-Q87 VanDerWaalsContact O-N 3.17Å; Q87-N90 PolarHBondContact O-N 3.07Å; Q87-S91 VanDerWaalsContact O-CB 3.29Å; Q87-S91 WeakPolarHBondContact O-CB 3.1Å; Q87-S91 PolarHBondContact O-N 3.27Å
88E94Very high88.6Confident92 Ų9264.6 Ų64.643%0.4337%0.365SS..Hα-helixtrans-63.6-43.7175.2-72.3165.814200111.5P84 T85 N90 S91 F92P84-E88 WeakPolarHBondContact CA-OE2 3.33Å; T85-E88 PolarHBondContact N-OE2 3.39Å; T85-E88 PolarHBondContact O-N 2.99Å; T85-E88 VanDerWaalsContact O-N 3.12Å; T85-E88 VanDerWaalsContact OG1-CD 3.32Å; T85-E88 VanDerWaalsContact OG1-CG 3.24Å; T85-E88 WeakPolarHBondContact OG1-CG 3.34Å; T85-E88 PolarHBondContact OG1-N 3.4Å; T85-E88 PolarHBondContact OG1-OE2 3.36Å; E88-N90 VanDerWaalsContact C-N 3.35Å; E88-N90 PolarHBondContact O-N 3.02Å; E88-S91 WeakPolarHBondContact O-CB 3.4Å; E88-S91 PolarHBondContact O-N 2.91Å; E88-F92 VanDerWaalsContact O-CB 3.27Å; E88-F92 WeakPolarHBondContact O-CB 3.16Å; E88-F92 PolarHBondContact O-N 3.49Å
89L93.7Very high90.7Very high34 Ų3464.2 Ų64.218%0.17835%0.351CS..Hα-helixtrans-61.9-42.1176.6-68.6174.6000112.1P84 T85 F92 R93 L114 T124 L126P84-L89 HydrophobicContact CB-CD2 3.88Å; P84-L89 HydrophobicContact CB-CG 3.97Å; T85-L89 PolarHBondContact O-N 3.46Å; L89-F92 PolarHBondContact O-N 3.05Å; L89-R93 PolarHBondContact O-N 3.17Å; L89-L114 HydrophobicContact CD2-CD2 3.86Å; L89-T124 HydrophobicContact CD2-CG2 3.56Å; L89-L126 HydrophobicContact CD2-CD2 4.01Å
90N93.3Very high92.4Very high79 Ų7968.4 Ų68.442%0.42236%0.361SS..Hα-helixtrans-67-41.7176.1-172.953.8000111.7P86 Q87 E88 F92 R93 V94P86-N90 WeakPolarHBondContact O-CB 3.33Å; P86-N90 PolarHBondContact O-N 2.95Å; Q87-N90 PolarHBondContact O-N 3.07Å; E88-N90 VanDerWaalsContact C-N 3.35Å; E88-N90 PolarHBondContact O-N 3.02Å; N90-F92 VanDerWaalsContact C-N 3.33Å; N90-F92 PolarHBondContact O-N 3.31Å; N90-R93 WeakPolarHBondContact O-CB 3.41Å; N90-R93 PolarHBondContact O-N 3.36Å; N90-R93 PolarHBondContact OD1-NH2 2.68Å; N90-V94 VanDerWaalsContact O-CG2 3.29Å; N90-V94 WeakPolarHBondContact O-CG2 3.25Å; N90-V94 PolarHBondContact O-N 3.2Å
91S96.1Very high93.5Very high50 Ų5066.4 Ų66.435%0.3534%0.337SS..Hα-helixtrans-59.5-44.5174.7-173.40000111.4Q87 E88 V94 D95 K107Q87-S91 VanDerWaalsContact O-CB 3.29Å; Q87-S91 WeakPolarHBondContact O-CB 3.1Å; Q87-S91 PolarHBondContact O-N 3.27Å; E88-S91 WeakPolarHBondContact O-CB 3.4Å; E88-S91 PolarHBondContact O-N 2.91Å; S91-V94 PolarHBondContact O-N 3.48Å; S91-D95 PolarHBondContact O-N 3.45Å; S91-K107 PolarHBondContact OG-NZ 3.17Å
92F96.9Very high94.1Very high0 Ų073.6 Ų73.60%037%0.368CS..Hα-helixtrans-63.4-42.4176.7-169-117.1000112.3E88 L89 N90 D95 I96 F104 K107 A108 L114 L115 L126E88-F92 VanDerWaalsContact O-CB 3.27Å; E88-F92 WeakPolarHBondContact O-CB 3.16Å; E88-F92 PolarHBondContact O-N 3.49Å; L89-F92 PolarHBondContact O-N 3.05Å; N90-F92 VanDerWaalsContact C-N 3.33Å; N90-F92 PolarHBondContact O-N 3.31Å; F92-D95 PolarHBondContact O-N 2.86Å; F92-I96 PolarHBondContact O-N 2.99Å; F92-F104 HydrophobicContact CD1-CE2 4.16Å; F92-F104 AromaticContact CD2-CD2 3.83Å; F92-F104 HydrophobicContact CD2-CD2 3.83Å; F92-F104 HydrophobicContact CD2-CE2 4.1Å; F92-F104 HydrophobicContact CE1-CD2 4.2Å; F92-F104 AromaticContact CE1-CE2 3.48Å; F92-F104 HydrophobicContact CE1-CE2 3.48Å; F92-F104 VanDerWaalsContact CE1-CE2 3.48Å; F92-F104 HydrophobicContact CE1-CZ 4.19Å; F92-F104 AromaticContact CE2-CD2 3.36Å; F92-F104 HydrophobicContact CE2-CD2 3.36Å; F92-F104 AromaticContact CE2-CE2 3.41Å; F92-F104 HydrophobicContact CE2-CE2 3.41Å; F92-F104 VanDerWaalsContact CE2-CE2 3.41Å; F92-F104 HydrophobicContact CE2-CG 4.11Å; F92-F104 HydrophobicContact CE2-CZ 4.19Å; F92-F104 WeakPolarHBondContact CE2-O 3.21Å; F92-F104 HydrophobicContact CG-CD2 4.44Å; F92-F104 HydrophobicContact CG-CE2 4.45Å; F92-F104 AromaticContact CZ-CD2 3.58Å; F92-F104 HydrophobicContact CZ-CD2 3.58Å; F92-F104 AromaticContact CZ-CE2 3.05Å; F92-F104 HydrophobicContact CZ-CE2 3.05Å; F92-F104 HydrophobicContact CZ-CG 4.49Å; F92-F104 AromaticContact CZ-CZ 3.61Å; F92-F104 HydrophobicContact CZ-CZ 3.61Å; F92-K107 HydrophobicContact CD2-CB 3.77Å; F92-K107 HydrophobicContact CD2-CD 4.09Å; F92-K107 HydrophobicContact CE2-CB 3.9Å; F92-A108 HydrophobicContact CE2-CB 4.07Å; F92-A108 HydrophobicContact CZ-CB 4.02Å; F92-L114 HydrophobicContact CB-CD2 4.48Å; F92-L114 HydrophobicContact CD1-CB 4.21Å; F92-L114 HydrophobicContact CD2-CD1 4.09Å; F92-L114 HydrophobicContact CE1-CB 3.98Å; F92-L114 HydrophobicContact CE2-CB 4.42Å; F92-L114 HydrophobicContact CE2-CD1 4.24Å; F92-L114 HydrophobicContact CG-CD1 4.41Å; F92-L114 HydrophobicContact CG-CD2 4.47Å; F92-L114 HydrophobicContact CZ-CB 4.08Å; F92-L115 HydrophobicContact CE1-CD2 3.79Å; F92-L115 HydrophobicContact CE1-CG 4.4Å; F92-L115 HydrophobicContact CZ-CD2 3.9Å; F92-L115 HydrophobicContact CZ-CG 4.22Å; F92-L126 HydrophobicContact CD1-CD1 3.99Å; F92-L126 HydrophobicContact CD1-CD2 3.79Å; F92-L126 HydrophobicContact CE1-CD1 4.36Å; F92-L126 HydrophobicContact CE1-CD2 4.42Å
93R96.7Very high94.8Very high47 Ų4773 Ų7318%0.17736%0.355CS..Hα-helixtrans-59.4-45.8172-174.7-18062.487.43.2112.1L89 N90 D95 I96 E97 L126 V137L89-R93 PolarHBondContact O-N 3.17Å; N90-R93 WeakPolarHBondContact O-CB 3.41Å; N90-R93 PolarHBondContact O-N 3.36Å; N90-R93 PolarHBondContact OD1-NH2 2.68Å; R93-D95 VanDerWaalsContact C-N 3.27Å; R93-D95 PolarHBondContact O-N 2.78Å; R93-I96 WeakPolarHBondContact O-CB 3.5Å; R93-I96 PolarHBondContact O-N 3.25Å; R93-I96 VanDerWaalsContact O-N 3.14Å; R93-E97 IonicContact CZ-OE1 2.6Å; R93-E97 IonicContact CZ-OE2 3.63Å; R93-E97 IonicContact NH1-OE1 3.25Å; R93-E97 PolarHBondContact NH1-OE1 3.33Å; R93-E97 IonicContact NH1-OE2 2.7Å; R93-E97 PolarHBondContact NH1-OE2 3.43Å; R93-E97 PolarHBondContact O-N 2.96Å; R93-E97 VanDerWaalsContact O-N 3.09Å; R93-L126 HydrophobicContact CB-CB 4.16Å; R93-L126 HydrophobicContact CG-CB 4.32Å; R93-V137 HydrophobicContact CG-CG1 4.2Å; R93-V137 HydrophobicContact CG-CG2 4.28Å
94V96.7Very high95.3Very high40 Ų4067.2 Ų67.224%0.24233%0.329CS..Hα-helixtrans-62-36.6179.91690000111.1N90 S91 I96 E97 K98N90-V94 VanDerWaalsContact O-CG2 3.29Å; N90-V94 WeakPolarHBondContact O-CG2 3.25Å; N90-V94 PolarHBondContact O-N 3.2Å; S91-V94 PolarHBondContact O-N 3.48Å; V94-I96 VanDerWaalsContact C-N 3.3Å; V94-I96 PolarHBondContact O-N 3.38Å; V94-E97 PolarHBondContact O-N 2.89Å; V94-K98 HydrophobicContact CG1-CG 4.04Å; V94-K98 WeakPolarHBondContact O-CB 3.36Å; V94-K98 WeakPolarHBondContact O-CG 3.32Å; V94-K98 PolarHBondContact O-N 2.86Å
95D98.2Very high95.7Very high2 Ų268 Ų681%0.01133%0.334CS..Hα-helixtrans-62.6-36.1175.7-70.2-33.9000112.2S91 F92 R93 F99 R100 N103 F104 K107S91-D95 PolarHBondContact O-N 3.45Å; F92-D95 PolarHBondContact O-N 2.86Å; R93-D95 VanDerWaalsContact C-N 3.27Å; R93-D95 PolarHBondContact O-N 2.78Å; D95-F99 PolarHBondContact O-N 3.14Å; D95-F99 VanDerWaalsContact O-N 3.14Å; D95-R100 HydrophobicContact CB-CB 4.07Å; D95-R100 PolarHBondContact O-N 3.14Å; D95-R100 VanDerWaalsContact OD1-CD 3.27Å; D95-R100 WeakPolarHBondContact OD1-CD 3.47Å; D95-R100 IonicContact OD1-NH1 3.16Å; D95-N103 HydrophobicContact CB-CB 4.5Å; D95-F104 HydrophobicContact CB-CB 4.26Å; D95-K107 WeakPolarHBondContact OD2-CE 3.39Å; D95-K107 IonicContact OD2-NZ 2.72Å; D95-K107 PolarHBondContact OD2-NZ 3.14Å
96I97.8Very high95.9Very high0 Ų070.6 Ų70.60%034%0.341CS..Hα-helixtrans-65.3-50.2172.6-55.9172.3000110.7F92 R93 V94 K98 F99 F104 L126 A134 V137 A138 N143 V146F92-I96 PolarHBondContact O-N 2.99Å; R93-I96 WeakPolarHBondContact O-CB 3.5Å; R93-I96 PolarHBondContact O-N 3.25Å; R93-I96 VanDerWaalsContact O-N 3.14Å; V94-I96 VanDerWaalsContact C-N 3.3Å; V94-I96 PolarHBondContact O-N 3.38Å; I96-K98 VanDerWaalsContact C-N 3.26Å; I96-K98 PolarHBondContact O-N 3.33Å; I96-F99 PolarHBondContact O-N 3.46Å; I96-F104 HydrophobicContact CD1-CD2 4.25Å; I96-F104 HydrophobicContact CD1-CE2 3.65Å; I96-F104 HydrophobicContact CD1-CZ 4.45Å; I96-F104 HydrophobicContact CG1-CD2 3.57Å; I96-F104 HydrophobicContact CG1-CE2 3.46Å; I96-F104 VanDerWaalsContact CG1-CE2 3.46Å; I96-F104 HydrophobicContact CG1-CZ 4.39Å; I96-L126 HydrophobicContact CD1-CD1 3.55Å; I96-A134 HydrophobicContact CD1-CB 3.93Å; I96-V137 HydrophobicContact CB-CG1 4.09Å; I96-V137 HydrophobicContact CD1-CB 4.46Å; I96-V137 HydrophobicContact CG2-CB 4.26Å; I96-V137 HydrophobicContact CG2-CG1 3.79Å; I96-A138 HydrophobicContact CG2-CB 3.89Å; I96-N143 HydrophobicContact CG2-CB 4.43Å; I96-N143 PolarHBondContact O-ND2 3.33Å; I96-V146 HydrophobicContact CD1-CG1 4.28Å; I96-V146 HydrophobicContact CG1-CG1 4.12Å; I96-V146 HydrophobicContact CG1-CG2 4.4Å; I96-V146 HydrophobicContact CG2-CB 4.41Å; I96-V146 HydrophobicContact CG2-CG1 4.07Å; I96-V146 HydrophobicContact CG2-CG2 4.3Å
97E96.8Very high96.2Very high45 Ų4568.5 Ų68.521%0.2132%0.322CS..Hα-helixtrans-66.5-27.8-175.7-66.9179.8160.900113R93 V94 V137 R140R93-E97 IonicContact CZ-OE1 2.6Å; R93-E97 IonicContact CZ-OE2 3.63Å; R93-E97 IonicContact NH1-OE1 3.25Å; R93-E97 PolarHBondContact NH1-OE1 3.33Å; R93-E97 IonicContact NH1-OE2 2.7Å; R93-E97 PolarHBondContact NH1-OE2 3.43Å; R93-E97 PolarHBondContact O-N 2.96Å; R93-E97 VanDerWaalsContact O-N 3.09Å; V94-E97 PolarHBondContact O-N 2.89Å; E97-V137 HydrophobicContact CG-CG1 3.62Å; E97-R140 IonicContact OE1-NH2 3.41Å; E97-R140 PolarHBondContact OE1-NH2 3.25Å
98K97.1Very high96.3Very high140 Ų14060.8 Ų60.861%0.60929%0.286SS*.THydrogen-bonded Turntrans-101.810.3179-61.6-61.3-175.7-177.80113.5V94 I96 R100V94-K98 HydrophobicContact CG1-CG 4.04Å; V94-K98 WeakPolarHBondContact O-CB 3.36Å; V94-K98 WeakPolarHBondContact O-CG 3.32Å; V94-K98 PolarHBondContact O-N 2.86Å; I96-K98 VanDerWaalsContact C-N 3.26Å; I96-K98 PolarHBondContact O-N 3.33Å; K98-R100 HydrophobicContact CB-CG 4.09Å; K98-R100 PolarHBondContact O-N 3.04Å
99F97.4Very high96.3Very high109 Ų10959.6 Ų59.648%0.47828%0.282SS..THydrogen-bonded Turntrans56.433.3176.8-60.9-105000113.5D95 I96 M101 C141 N143D95-F99 PolarHBondContact O-N 3.14Å; D95-F99 VanDerWaalsContact O-N 3.14Å; I96-F99 PolarHBondContact O-N 3.46Å; F99-M101 PolarHBondContact O-N 2.83Å; F99-C141 HydrophobicContact CZ-CB 4.47Å; F99-C141 WeakPolarHBondContact CZ-O 3.32Å; F99-N143 HydrophobicContact CD1-CB 3.96Å; F99-N143 HydrophobicContact CE1-CB 3.67Å; F99-N143 HydrophobicContact CZ-CB 4.18Å
100R97.6Very high96.2Very high128 Ų12863 Ų6348%0.48330%0.301SS..  trans-86.165.8179.1-64.4175.1178.2172.5-2.9110.1D95 K98 K102 N103 F104D95-R100 HydrophobicContact CB-CB 4.07Å; D95-R100 PolarHBondContact O-N 3.14Å; D95-R100 VanDerWaalsContact OD1-CD 3.27Å; D95-R100 WeakPolarHBondContact OD1-CD 3.47Å; D95-R100 IonicContact OD1-NH1 3.16Å; K98-R100 HydrophobicContact CB-CG 4.09Å; K98-R100 PolarHBondContact O-N 3.04Å; R100-K102 VanDerWaalsContact C-N 3.3Å; R100-K102 PolarHBondContact O-N 3.47Å; R100-N103 HydrophobicContact CB-CB 4.38Å; R100-N103 PolarHBondContact O-N 3.37Å; R100-F104 PolarHBondContact O-N 2.76Å; R100-F104 VanDerWaalsContact O-N 3.08Å
101M95.2Very high96.2Very high47 Ų4760.4 Ų60.423%0.23229%0.286CS..Hα-helixtrans-57.6-39.8-170.8-169.857.6176.700113.2F99 N103 F104 V105 D145 V146 F149F99-M101 PolarHBondContact O-N 2.83Å; M101-N103 PolarHBondContact O-N 3.15Å; M101-F104 PolarHBondContact O-N 3.01Å; M101-F104 HydrophobicContact SD-CD1 4.08Å; M101-V105 HydrophobicContact CE-CG2 3.65Å; M101-V105 HydrophobicContact CG-CG2 4.15Å; M101-V105 WeakPolarHBondContact O-CB 3.38Å; M101-V105 VanDerWaalsContact O-CG2 3.27Å; M101-V105 WeakPolarHBondContact O-CG2 3.41Å; M101-V105 PolarHBondContact O-N 2.95Å; M101-V105 HydrophobicContact SD-CG2 4.08Å; M101-D145 HydrophobicContact CE-CB 4.07Å; M101-D145 WeakPolarHBondContact CE-O 3.4Å; M101-D145 HydrophobicContact CG-CB 4.41Å; M101-D145 HydrophobicContact SD-CB 4.1Å; M101-V146 HydrophobicContact SD-CG2 3.83Å; M101-F149 HydrophobicContact CE-CB 3.45Å; M101-F149 VanDerWaalsContact CE-CB 3.45Å; M101-F149 HydrophobicContact CE-CD1 4.28Å; M101-F149 HydrophobicContact CE-CD2 4.21Å; M101-F149 HydrophobicContact CE-CG 3.73Å
102K96.8Very high95.9Very high186 Ų18658 Ų5881%0.80927%0.27SS*.Hα-helixtrans-57.2-50.4178.4-65.9-176179.1-178.50112.2R100 F104 V105 E106R100-K102 VanDerWaalsContact C-N 3.3Å; R100-K102 PolarHBondContact O-N 3.47Å; K102-F104 VanDerWaalsContact C-N 3.34Å; K102-F104 PolarHBondContact O-N 3.14Å; K102-V105 PolarHBondContact O-N 3.25Å; K102-E106 WeakPolarHBondContact O-CB 3.5Å; K102-E106 PolarHBondContact O-N 3.47Å
103N97.4Very high95.6Very high66 Ų6659 Ų5935%0.35327%0.274SS..Hα-helixtrans-64.8-40.3178.7-62.5-1.3000111.6D95 R100 M101 K107D95-N103 HydrophobicContact CB-CB 4.5Å; R100-N103 HydrophobicContact CB-CB 4.38Å; R100-N103 PolarHBondContact O-N 3.37Å; M101-N103 PolarHBondContact O-N 3.15Å; N103-K107 WeakPolarHBondContact O-CB 3.45Å; N103-K107 VanDerWaalsContact O-CG 3.26Å; N103-K107 WeakPolarHBondContact O-CG 3.49Å; N103-K107 PolarHBondContact O-N 3.28Å
104F97.2Very high95.5Very high0 Ų057.2 Ų57.20%027%0.268CS..Hα-helixtrans-61.8-49.1178.5178.2-96.4000111.3F92 D95 I96 R100 M101 K102 K107 A108 L115 V146 F149 V150F92-F104 HydrophobicContact CD1-CE2 4.16Å; F92-F104 AromaticContact CD2-CD2 3.83Å; F92-F104 HydrophobicContact CD2-CD2 3.83Å; F92-F104 HydrophobicContact CD2-CE2 4.1Å; F92-F104 HydrophobicContact CE1-CD2 4.2Å; F92-F104 AromaticContact CE1-CE2 3.48Å; F92-F104 HydrophobicContact CE1-CE2 3.48Å; F92-F104 VanDerWaalsContact CE1-CE2 3.48Å; F92-F104 HydrophobicContact CE1-CZ 4.19Å; F92-F104 AromaticContact CE2-CD2 3.36Å; F92-F104 HydrophobicContact CE2-CD2 3.36Å; F92-F104 AromaticContact CE2-CE2 3.41Å; F92-F104 HydrophobicContact CE2-CE2 3.41Å; F92-F104 VanDerWaalsContact CE2-CE2 3.41Å; F92-F104 HydrophobicContact CE2-CG 4.11Å; F92-F104 HydrophobicContact CE2-CZ 4.19Å; F92-F104 WeakPolarHBondContact CE2-O 3.21Å; F92-F104 HydrophobicContact CG-CD2 4.44Å; F92-F104 HydrophobicContact CG-CE2 4.45Å; F92-F104 AromaticContact CZ-CD2 3.58Å; F92-F104 HydrophobicContact CZ-CD2 3.58Å; F92-F104 AromaticContact CZ-CE2 3.05Å; F92-F104 HydrophobicContact CZ-CE2 3.05Å; F92-F104 HydrophobicContact CZ-CG 4.49Å; F92-F104 AromaticContact CZ-CZ 3.61Å; F92-F104 HydrophobicContact CZ-CZ 3.61Å; D95-F104 HydrophobicContact CB-CB 4.26Å; I96-F104 HydrophobicContact CD1-CD2 4.25Å; I96-F104 HydrophobicContact CD1-CE2 3.65Å; I96-F104 HydrophobicContact CD1-CZ 4.45Å; I96-F104 HydrophobicContact CG1-CD2 3.57Å; I96-F104 HydrophobicContact CG1-CE2 3.46Å; I96-F104 VanDerWaalsContact CG1-CE2 3.46Å; I96-F104 HydrophobicContact CG1-CZ 4.39Å; R100-F104 PolarHBondContact O-N 2.76Å; R100-F104 VanDerWaalsContact O-N 3.08Å; M101-F104 PolarHBondContact O-N 3.01Å; M101-F104 HydrophobicContact SD-CD1 4.08Å; K102-F104 VanDerWaalsContact C-N 3.34Å; K102-F104 PolarHBondContact O-N 3.14Å; F104-K107 PolarHBondContact O-N 3.32Å; F104-A108 VanDerWaalsContact O-CB 3.29Å; F104-A108 WeakPolarHBondContact O-CB 3.38Å; F104-A108 PolarHBondContact O-N 3.41Å; F104-L115 HydrophobicContact CZ-CD2 4.34Å; F104-V146 HydrophobicContact CD1-CG2 3.94Å; F104-V146 HydrophobicContact CE1-CB 4.37Å; F104-V146 HydrophobicContact CE1-CG1 3.84Å; F104-V146 HydrophobicContact CE1-CG2 4.05Å; F104-V146 HydrophobicContact CE2-CG1 4.17Å; F104-V146 HydrophobicContact CG-CG2 4.21Å; F104-V146 HydrophobicContact CZ-CG1 3.65Å; F104-V146 HydrophobicContact CZ-CG2 4.44Å; F104-F149 HydrophobicContact CD1-CD1 4.29Å; F104-F149 AromaticContact CE1-CD1 3.85Å; F104-F149 HydrophobicContact CE1-CD1 3.85Å; F104-F149 HydrophobicContact CE1-CE1 4.36Å; F104-V150 HydrophobicContact CE1-CG2 3.97Å; F104-V150 HydrophobicContact CZ-CG2 3.68Å
105V97Very high95.3Very high36 Ų3655.3 Ų55.322%0.21826%0.256CS..Hα-helixtrans-60.2-49.6178.4169.30000110.9M101 K102 K107 A108 L109 F149M101-V105 HydrophobicContact CE-CG2 3.65Å; M101-V105 HydrophobicContact CG-CG2 4.15Å; M101-V105 WeakPolarHBondContact O-CB 3.38Å; M101-V105 VanDerWaalsContact O-CG2 3.27Å; M101-V105 WeakPolarHBondContact O-CG2 3.41Å; M101-V105 PolarHBondContact O-N 2.95Å; M101-V105 HydrophobicContact SD-CG2 4.08Å; K102-V105 PolarHBondContact O-N 3.25Å; V105-K107 PolarHBondContact O-N 3.22Å; V105-A108 PolarHBondContact O-N 3.13Å; V105-L109 HydrophobicContact CG1-CD1 3.75Å; V105-L109 HydrophobicContact CG1-CG 4.33Å; V105-L109 WeakPolarHBondContact O-CB 3.27Å; V105-L109 WeakPolarHBondContact O-CG 3.33Å; V105-L109 PolarHBondContact O-N 3.2Å; V105-F149 HydrophobicContact CB-CE1 4.41Å; V105-F149 HydrophobicContact CB-CZ 4.13Å; V105-F149 HydrophobicContact CG1-CE1 4.49Å; V105-F149 HydrophobicContact CG1-CE2 4.09Å; V105-F149 HydrophobicContact CG1-CZ 3.75Å; V105-F149 HydrophobicContact CG2-CD1 4.26Å; V105-F149 HydrophobicContact CG2-CD2 4.22Å; V105-F149 HydrophobicContact CG2-CE1 3.96Å; V105-F149 HydrophobicContact CG2-CE2 3.96Å; V105-F149 HydrophobicContact CG2-CG 4.36Å; V105-F149 HydrophobicContact CG2-CZ 3.82Å
106E96.9Very high94.8Very high117 Ų11755.2 Ų55.255%0.54726%0.256SS..Hα-helixtrans-57.2-49.9179.2-177.7-178.3178.900111.4K102 A108 L109 N110K102-E106 WeakPolarHBondContact O-CB 3.5Å; K102-E106 PolarHBondContact O-N 3.47Å; E106-A108 PolarHBondContact O-N 2.67Å; E106-L109 PolarHBondContact O-N 3.41Å; E106-N110 VanDerWaalsContact O-CB 3.26Å; E106-N110 WeakPolarHBondContact O-CB 3.48Å; E106-N110 PolarHBondContact O-N 3.22Å; E106-N110 PolarHBondContact O-ND2 3.38Å
107K95.9Very high94.2Very high58 Ų5857 Ų5725%0.25227%0.266SS..Hα-helixtrans-61.2-46.4178.3-73.5174.2-176.6171.40112.1S91 F92 D95 N103 F104 V105 L109 N110 N111 L114S91-K107 PolarHBondContact OG-NZ 3.17Å; F92-K107 HydrophobicContact CD2-CB 3.77Å; F92-K107 HydrophobicContact CD2-CD 4.09Å; F92-K107 HydrophobicContact CE2-CB 3.9Å; D95-K107 WeakPolarHBondContact OD2-CE 3.39Å; D95-K107 IonicContact OD2-NZ 2.72Å; D95-K107 PolarHBondContact OD2-NZ 3.14Å; N103-K107 WeakPolarHBondContact O-CB 3.45Å; N103-K107 VanDerWaalsContact O-CG 3.26Å; N103-K107 WeakPolarHBondContact O-CG 3.49Å; N103-K107 PolarHBondContact O-N 3.28Å; F104-K107 PolarHBondContact O-N 3.32Å; V105-K107 PolarHBondContact O-N 3.22Å; K107-L109 PolarHBondContact O-N 3.04Å; K107-N110 PolarHBondContact O-N 3.09Å; K107-N111 PolarHBondContact O-N 3.27Å; K107-L114 HydrophobicContact CB-CD1 3.83Å; K107-L114 WeakPolarHBondContact O-CD1 3.42Å
108A94.3Very high93.1Very high0 Ų056.7 Ų56.70%027%0.266CS..Hα-helixtrans-62.5-42.6-17900000112.2F92 F104 V105 E106 N111 L115 F149 L153 Y159F92-A108 HydrophobicContact CE2-CB 4.07Å; F92-A108 HydrophobicContact CZ-CB 4.02Å; F104-A108 VanDerWaalsContact O-CB 3.29Å; F104-A108 WeakPolarHBondContact O-CB 3.38Å; F104-A108 PolarHBondContact O-N 3.41Å; V105-A108 PolarHBondContact O-N 3.13Å; E106-A108 PolarHBondContact O-N 2.67Å; A108-N111 CarbonylContact O-C 3.53Å; A108-L115 HydrophobicContact CB-CD1 4.09Å; A108-F149 HydrophobicContact CB-CE1 4.15Å; A108-L153 HydrophobicContact CB-CD1 4.43Å; A108-Y159 PolarHBondContact O-OH 2.81Å
109L93.2Very high91.6Very high67 Ų6755.7 Ų55.735%0.35126%0.264SS..Hα-helixtrans-71.7-36.9178.9-67.5178.1000112.3V105 E106 K107 F149 L153 Y159 R162V105-L109 HydrophobicContact CG1-CD1 3.75Å; V105-L109 HydrophobicContact CG1-CG 4.33Å; V105-L109 WeakPolarHBondContact O-CB 3.27Å; V105-L109 WeakPolarHBondContact O-CG 3.33Å; V105-L109 PolarHBondContact O-N 3.2Å; E106-L109 PolarHBondContact O-N 3.41Å; K107-L109 PolarHBondContact O-N 3.04Å; L109-F149 HydrophobicContact CD2-CZ 4.25Å; L109-F149 HydrophobicContact CG-CZ 4.25Å; L109-L153 HydrophobicContact CD2-CD1 4.41Å; L109-L153 HydrophobicContact CD2-CD2 3.95Å; L109-Y159 HydrophobicContact CD2-CE2 4.46Å; L109-R162 PolarHBondContact O-NH1 3.13Å; L109-R162 PolarHBondContact O-NH2 3.29Å
110N92.4Very high90Very high106 Ų10653.8 Ų53.857%0.56726%0.264SS*.Hα-helixtrans-68.6-43.4179.2-73.7-15.7000112.2E106 K107E106-N110 VanDerWaalsContact O-CB 3.26Å; E106-N110 WeakPolarHBondContact O-CB 3.48Å; E106-N110 PolarHBondContact O-N 3.22Å; E106-N110 PolarHBondContact O-ND2 3.38Å; K107-N110 PolarHBondContact O-N 3.09Å
111N92.1Very high88.6Confident24 Ų2450.6 Ų50.613%0.12826%0.256CS..  trans-131.897.3179.6-171.3-8.2000112A82 K107 A108 R113 L114A82-N111 PolarHBondContact O-ND2 3.03Å; K107-N111 PolarHBondContact O-N 3.27Å; A108-N111 CarbonylContact O-C 3.53Å; N111-R113 PolarHBondContact O-N 3.22Å; N111-R113 VanDerWaalsContact OD1-CB 3.26Å; N111-R113 WeakPolarHBondContact OD1-CB 3.36Å; N111-R113 PolarHBondContact OD1-N 3.31Å; N111-L114 HydrophobicContact CB-CD1 4.28Å; N111-L114 HydrophobicContact CB-CG 4.35Å; N111-L114 WeakPolarHBondContact O-CB 3.38Å; N111-L114 PolarHBondContact O-N 3.18Å
112P90.2Very high88Confident0 Ų050.2 Ų50.20%026%0.258CS..G310 helixtrans-59.9-19.9179.1-26.135.9000114.9F81 L114 L115 I116 Y159 L163F81-P112 HydrophobicContact CE1-CG 4.26Å; F81-P112 HydrophobicContact CE2-CG 4.26Å; F81-P112 HydrophobicContact CZ-CG 4.08Å; P112-L114 PolarHBondContact O-N 2.97Å; P112-L115 PolarHBondContact O-N 3.13Å; P112-I116 PolarHBondContact O-N 2.94Å; P112-Y159 VanDerWaalsContact CA-OH 3.28Å; P112-Y159 WeakPolarHBondContact CA-OH 3.13Å; P112-Y159 HydrophobicContact CB-CE1 4.25Å; P112-Y159 HydrophobicContact CB-CE2 4.13Å; P112-Y159 HydrophobicContact CG-CE2 4.01Å; P112-L163 HydrophobicContact CB-CD1 4.08Å; P112-L163 HydrophobicContact CB-CD2 3.83Å; P112-L163 HydrophobicContact CB-CG 3.85Å
113R91.5Very high87.7Confident21 Ų2141.5 Ų41.58%0.07922%0.22CC..G310 helixtrans-66.4-15.8176.7-60.3179.767.81696.6113.5F81 P84 N111 L115 I116 E119 T124 L163F81-R113 HydrophobicContact CB-CG 3.95Å; F81-R113 WeakPolarHBondContact O-CD 3.21Å; F81-R113 PolarHBondContact O-NH1 3.47Å; P84-R113 HydrophobicContact CG-CB 3.87Å; N111-R113 PolarHBondContact O-N 3.22Å; N111-R113 VanDerWaalsContact OD1-CB 3.26Å; N111-R113 WeakPolarHBondContact OD1-CB 3.36Å; N111-R113 PolarHBondContact OD1-N 3.31Å; R113-L115 PolarHBondContact O-N 3.47Å; R113-I116 VanDerWaalsContact CA-O 3.31Å; R113-I116 WeakPolarHBondContact CA-O 3.41Å; R113-E119 IonicContact NH2-OE1 3.6Å; R113-T124 PolarHBondContact O-OG1 2.83Å; R113-L163 HydrophobicContact CG-CD2 3.82Å
114L92.8Very high87.4Confident10 Ų1038.7 Ų38.75%0.05221%0.206CC..G310 helixtrans-67.3-22171.3-71.1172.3000112.6P84 L89 F92 K107 N111 P112 T124P84-L114 HydrophobicContact CB-CD2 3.64Å; P84-L114 HydrophobicContact CB-CG 4.5Å; P84-L114 HydrophobicContact CG-CD2 3.79Å; P84-L114 HydrophobicContact CG-CG 4.15Å; L89-L114 HydrophobicContact CD2-CD2 3.86Å; F92-L114 HydrophobicContact CB-CD2 4.48Å; F92-L114 HydrophobicContact CD1-CB 4.21Å; F92-L114 HydrophobicContact CD2-CD1 4.09Å; F92-L114 HydrophobicContact CE1-CB 3.98Å; F92-L114 HydrophobicContact CE2-CB 4.42Å; F92-L114 HydrophobicContact CE2-CD1 4.24Å; F92-L114 HydrophobicContact CG-CD1 4.41Å; F92-L114 HydrophobicContact CG-CD2 4.47Å; F92-L114 HydrophobicContact CZ-CB 4.08Å; K107-L114 HydrophobicContact CB-CD1 3.83Å; K107-L114 WeakPolarHBondContact O-CD1 3.42Å; N111-L114 HydrophobicContact CB-CD1 4.28Å; N111-L114 HydrophobicContact CB-CG 4.35Å; N111-L114 WeakPolarHBondContact O-CB 3.38Å; N111-L114 PolarHBondContact O-N 3.18Å; P112-L114 PolarHBondContact O-N 2.97Å; L114-T124 VanDerWaalsContact O-CB 3.31Å; L114-T124 WeakPolarHBondContact O-CB 3.21Å
115L92.7Very high87.2Confident0 Ų040.8 Ų40.80%022%0.216CC..THydrogen-bonded Turntrans-107.9-37.2176.4-68.4178.6000113.1F92 F104 A108 P112 R113 T124 A134 V150 L153 Y183F92-L115 HydrophobicContact CE1-CD2 3.79Å; F92-L115 HydrophobicContact CE1-CG 4.4Å; F92-L115 HydrophobicContact CZ-CD2 3.9Å; F92-L115 HydrophobicContact CZ-CG 4.22Å; F104-L115 HydrophobicContact CZ-CD2 4.34Å; A108-L115 HydrophobicContact CB-CD1 4.09Å; P112-L115 PolarHBondContact O-N 3.13Å; R113-L115 PolarHBondContact O-N 3.47Å; L115-T124 VanDerWaalsContact C-OG1 3.25Å; L115-T124 PolarHBondContact O-N 2.87Å; L115-T124 PolarHBondContact O-OG1 2.75Å; L115-A134 HydrophobicContact CD2-CB 4.02Å; L115-V150 HydrophobicContact CD1-CG2 4.32Å; L115-V150 HydrophobicContact CD2-CG1 4.44Å; L115-V150 HydrophobicContact CD2-CG2 3.99Å; L115-L153 HydrophobicContact CD1-CD1 4Å; L115-Y183 WeakPolarHBondContact CA-OH 3.11Å; L115-Y183 WeakPolarHBondContact O-CE2 3.16Å; L115-Y183 PolarHBondContact O-OH 3.38Å
116I89.4Confident87Confident0 Ų039.5 Ų39.50%021%0.208CC..EExtended strand (participates in β ladder)trans-125.9130-174.9-50.8176000110.4P112 R113 T124 L154 V160 L163 T179P112-I116 PolarHBondContact O-N 2.94Å; R113-I116 VanDerWaalsContact CA-O 3.31Å; R113-I116 WeakPolarHBondContact CA-O 3.41Å; I116-T124 PolarHBondContact N-OG1 3.1Å; I116-L154 HydrophobicContact CD1-CD2 3.7Å; I116-L154 HydrophobicContact CG1-CD2 4.07Å; I116-V160 HydrophobicContact CD1-CG2 4.32Å; I116-L163 HydrophobicContact CB-CD1 3.57Å; I116-L163 HydrophobicContact CD1-CD1 3.74Å; I116-L163 HydrophobicContact CG1-CD1 4.11Å; I116-L163 HydrophobicContact CG2-CD1 3.95Å; I116-T179 HydrophobicContact CD1-CG2 4.02Å; I116-T179 HydrophobicContact CG1-CG2 3.93Å; I116-T179 HydrophobicContact CG2-CG2 4.18Å
117T84.9Confident86.6Confident37 Ų3737 Ų3723%0.22720%0.197CC..EExtended strand (participates in β ladder)trans-79.2127.8173.857.90000110.5E119 S120 D121 S122T117-E119 VanDerWaalsContact C-N 3.29Å; T117-E119 PolarHBondContact O-N 3.09Å; T117-S120 PolarHBondContact OG1-OG 2.87Å; T117-D121 WeakPolarHBondContact O-CA 3.43Å; T117-D121 PolarHBondContact O-N 3.37Å; T117-D121 VanDerWaalsContact O-N 3.08Å; T117-S122 PolarHBondContact N-O 3Å; T117-S122 PolarHBondContact OG1-N 2.78Å; T117-S122 PolarHBondContact OG1-O 3.08Å
118L73Confident86.1Confident39 Ų3941 Ų4120%0.20422%0.22CC..THydrogen-bonded Turntrans-68.9-28.7177.1-167.973.3000112.8S120 L163 F164L118-S120 VanDerWaalsContact C-N 3.33Å; L118-S120 PolarHBondContact O-N 3.29Å; L118-L163 HydrophobicContact CD1-CB 4.39Å; L118-L163 VanDerWaalsContact CD1-O 3.27Å; L118-L163 WeakPolarHBondContact CD1-O 3.11Å; L118-F164 HydrophobicContact CD1-CD1 3.85Å; L118-F164 HydrophobicContact CD1-CE1 3.48Å; L118-F164 VanDerWaalsContact CD1-CE1 3.48Å; L118-F164 HydrophobicContact CD1-CZ 4.08Å; L118-F164 HydrophobicContact CG-CE1 4.42Å
119E65.6Low85.6Confident119 Ų11943.2 Ų43.256%0.55624%0.242SC*.THydrogen-bonded Turntrans-77.4-19.3-172.5-66.7154.2-145.900112.8K83 R113 T117K83-E119 IonicContact NZ-OE1 3.3Å; K83-E119 PolarHBondContact NZ-OE1 3.41Å; K83-E119 IonicContact NZ-OE2 3.27Å; R113-E119 IonicContact NH2-OE1 3.6Å; T117-E119 VanDerWaalsContact C-N 3.29Å; T117-E119 PolarHBondContact O-N 3.09Å
120S62.9Low85.4Confident68 Ų6841.3 Ų41.348%0.47623%0.234SC..THydrogen-bonded Turntrans-147.210.4-170.771.50000114.2T117 L118 S122T117-S120 PolarHBondContact OG1-OG 2.87Å; L118-S120 VanDerWaalsContact C-N 3.33Å; L118-S120 PolarHBondContact O-N 3.29Å; S120-S122 PolarHBondContact O-N 3.33Å; S120-S122 PolarHBondContact O-OG 2.84Å; S120-S122 WeakPolarHBondContact OG-CB 3.49Å; S120-S122 PolarHBondContact OG-OG 3.33Å
121D69.1Low85.4Confident61 Ų6142.8 Ų42.833%0.32623%0.232SC..THydrogen-bonded Turntrans45.532.6-175.8-54.6-23.5000113.1T117 F164 T179T117-D121 WeakPolarHBondContact O-CA 3.43Å; T117-D121 PolarHBondContact O-N 3.37Å; T117-D121 VanDerWaalsContact O-N 3.08Å; D121-F164 VanDerWaalsContact OD1-CE1 3.23Å; D121-F164 WeakPolarHBondContact OD1-CE1 3.34Å; D121-F164 WeakPolarHBondContact OD1-CZ 3.11Å; D121-T179 PolarHBondContact O-OG1 2.88Å
122S82Confident85.4Confident40 Ų4042.9 Ų42.928%0.2823%0.23SC..EExtended strand (participates in β ladder)trans-112.2156.4-169.5-58.80000110.9T117 S120 T124T117-S122 PolarHBondContact N-O 3Å; T117-S122 PolarHBondContact OG1-N 2.78Å; T117-S122 PolarHBondContact OG1-O 3.08Å; S120-S122 PolarHBondContact O-N 3.33Å; S120-S122 PolarHBondContact O-OG 2.84Å; S120-S122 WeakPolarHBondContact OG-CB 3.49Å; S120-S122 PolarHBondContact OG-OG 3.33Å; S122-T124 PolarHBondContact O-N 3.1Å
123P90.3Very high85.7Confident2 Ų242.9 Ų42.91%0.01323%0.23CC..EExtended strand (participates in β ladder)trans-58.2131.7173.3-2737.8000111.8I125 N133 A182 Y183 M186P123-I125 PolarHBondContact O-N 3.19Å; P123-N133 HydrophobicContact CB-CB 3.76Å; P123-A182 HydrophobicContact CG-CB 3.68Å; P123-Y183 HydrophobicContact CB-CD1 4.11Å; P123-Y183 HydrophobicContact CB-CD2 3.59Å; P123-Y183 HydrophobicContact CB-CE1 3.95Å; P123-Y183 HydrophobicContact CB-CE2 3.39Å; P123-Y183 HydrophobicContact CB-CG 3.95Å; P123-Y183 HydrophobicContact CG-CD1 4.38Å; P123-Y183 HydrophobicContact CG-CD2 3.38Å; P123-Y183 HydrophobicContact CG-CE2 3.7Å; P123-Y183 HydrophobicContact CG-CG 3.76Å; P123-M186 HydrophobicContact CB-CE 3.56Å; P123-M186 HydrophobicContact CG-CE 3.43Å; P123-M186 VanDerWaalsContact CG-CE 3.43Å; P123-M186 HydrophobicContact CG-SD 4.23Å
124T92.8Very high85.9Confident8 Ų841.9 Ų41.95%0.04923%0.227CC..  trans-62.5131.7175.5-62.10000110.7L89 R113 L114 L115 I116 S122 L126L89-T124 HydrophobicContact CD2-CG2 3.56Å; R113-T124 PolarHBondContact O-OG1 2.83Å; L114-T124 VanDerWaalsContact O-CB 3.31Å; L114-T124 WeakPolarHBondContact O-CB 3.21Å; L115-T124 VanDerWaalsContact C-OG1 3.25Å; L115-T124 PolarHBondContact O-N 2.87Å; L115-T124 PolarHBondContact O-OG1 2.75Å; I116-T124 PolarHBondContact N-OG1 3.1Å; S122-T124 PolarHBondContact O-N 3.1Å; T124-L126 HydrophobicContact CG2-CD2 4.35Å; T124-L126 PolarHBondContact O-N 3.38Å
125I92.5Very high86.1Confident43 Ų4341.4 Ų41.422%0.22122%0.224CC..  trans-86.2115.7-178.8-65.6155.2000109.2P123 H127 Y132P123-I125 PolarHBondContact O-N 3.19Å; I125-H127 WeakPolarHBondContact CG2-O 3.37Å; I125-Y132 CarbonylContact C-O 3.48Å
126L92.7Very high86.3Confident9 Ų941.5 Ų41.55%0.04722%0.224CC..SBendtrans-90-25.6178.8-58.2-171.6000112.8L89 F92 R93 I96 T124 Y132 A134L89-L126 HydrophobicContact CD2-CD2 4.01Å; F92-L126 HydrophobicContact CD1-CD1 3.99Å; F92-L126 HydrophobicContact CD1-CD2 3.79Å; F92-L126 HydrophobicContact CE1-CD1 4.36Å; F92-L126 HydrophobicContact CE1-CD2 4.42Å; R93-L126 HydrophobicContact CB-CB 4.16Å; R93-L126 HydrophobicContact CG-CB 4.32Å; I96-L126 HydrophobicContact CD1-CD1 3.55Å; T124-L126 HydrophobicContact CG2-CD2 4.35Å; T124-L126 PolarHBondContact O-N 3.38Å; L126-Y132 PolarHBondContact N-O 2.82Å; L126-A134 HydrophobicContact CD1-CB 3.95Å
127H89.4Confident86.6Confident66 Ų6641.5 Ų41.531%0.30623%0.225SC..BIsolated β-bridgetrans-123104.3175-172.2-70.5000110.5I125 G129 C130 R131 Y132I125-H127 WeakPolarHBondContact CG2-O 3.37Å; H127-G129 PolarHBondContact ND1-N 3.18Å; H127-G129 PolarHBondContact O-N 2.87Å; H127-C130 PolarHBondContact ND1-N 3.02Å; H127-C130 VanDerWaalsContact ND1-N 3.17Å; H127-R131 CarbonylContact O-C 3.46Å; H127-R131 WeakPolarHBondContact O-CA 3.42Å; H127-R131 PolarHBondContact O-N 3.23Å; H127-Y132 HydrophobicContact CB-CD2 4.04Å; H127-Y132 HydrophobicContact CB-CG 4.22Å; H127-Y132 PolarHBondContact N-O 3.49Å; H127-Y132 PolarHBondContact O-N 2.88Å
128I85.1Confident87.3Confident142 Ų14239.8 Ų39.873%0.72821%0.214SC*.THydrogen-bonded Turntrans-60.1-41.9-170.6-60.7170.4000112.7
129G84.2Confident88.4Confident46 Ų4637.9 Ų37.947%0.47420%0.204SC..THydrogen-bonded Turntrans-62.5-69-177.500000112.9H127 R131H127-G129 PolarHBondContact ND1-N 3.18Å; H127-G129 PolarHBondContact O-N 2.87Å; G129-R131 PolarHBondContact O-N 3.49Å
130C89Confident89.8Confident27 Ų2736.3 Ų36.318%0.18219%0.193CC..THydrogen-bonded Turntrans-70.8-10.4176.9-52.30000114.6H127 Y132 D188 K189H127-C130 PolarHBondContact ND1-N 3.02Å; H127-C130 VanDerWaalsContact ND1-N 3.17Å; C130-Y132 HydrophobicContact CB-CD1 3.68Å; C130-Y132 HydrophobicContact CB-CD2 4.16Å; C130-Y132 HydrophobicContact CB-CE1 3.38Å; C130-Y132 HydrophobicContact CB-CE2 3.89Å; C130-Y132 HydrophobicContact CB-CG 4.06Å; C130-Y132 VanDerWaalsContact CB-CZ 3.48Å; C130-D188 WeakPolarHBondContact O-CB 3.3Å; C130-K189 PolarHBondContact O-N 2.93Å
131R90.4Very high91.3Very high137 Ų13734.9 Ų34.952%0.51718%0.182SC..THydrogen-bonded Turntrans62.738.3-175.2-57.3-91.1-74.1-174.8-2.4113.8H127 G129 K189H127-R131 CarbonylContact O-C 3.46Å; H127-R131 WeakPolarHBondContact O-CA 3.42Å; H127-R131 PolarHBondContact O-N 3.23Å; G129-R131 PolarHBondContact O-N 3.49Å; R131-K189 HydrophobicContact CB-CB 4.31Å; R131-K189 HydrophobicContact CG-CB 3.91Å; R131-K189 HydrophobicContact CG-CD 4.24Å
132Y94Very high92.5Very high26 Ų2633 Ų3310%0.10218%0.178CC..BIsolated β-bridgetrans-72.9132.3178.4-63.3-22.6000112.3I125 L126 H127 C130 H136 V137 D188 F198I125-Y132 CarbonylContact C-O 3.48Å; L126-Y132 PolarHBondContact N-O 2.82Å; H127-Y132 HydrophobicContact CB-CD2 4.04Å; H127-Y132 HydrophobicContact CB-CG 4.22Å; H127-Y132 PolarHBondContact N-O 3.49Å; H127-Y132 PolarHBondContact O-N 2.88Å; C130-Y132 HydrophobicContact CB-CD1 3.68Å; C130-Y132 HydrophobicContact CB-CD2 4.16Å; C130-Y132 HydrophobicContact CB-CE1 3.38Å; C130-Y132 HydrophobicContact CB-CE2 3.89Å; C130-Y132 HydrophobicContact CB-CG 4.06Å; C130-Y132 VanDerWaalsContact CB-CZ 3.48Å; Y132-H136 HydrophobicContact CD1-CB 3.82Å; Y132-H136 AromaticContact CD1-CD2 3.97Å; Y132-H136 AromaticContact CD1-CG 3.99Å; Y132-H136 HydrophobicContact CG-CB 3.81Å; Y132-V137 HydrophobicContact CD2-CG2 4.42Å; Y132-D188 HydrophobicContact CD1-CB 3.81Å; Y132-D188 HydrophobicContact CE1-CB 3.47Å; Y132-D188 VanDerWaalsContact CE1-CB 3.47Å; Y132-F198 AromaticContact CE1-CE2 3.85Å; Y132-F198 HydrophobicContact CE1-CE2 3.85Å; Y132-F198 AromaticContact CE1-CZ 3.82Å; Y132-F198 HydrophobicContact CE1-CZ 3.82Å; Y132-F198 AromaticContact CZ-CZ 3.88Å; Y132-F198 WeakPolarHBondContact OH-CZ 3.35Å
133N94.6Very high93.3Very high0 Ų031.1 Ų31.10%017%0.165CC..  trans-85.5179.2162.868.726.7000110.8P123 L135 H136 V137 Y183 M186P123-N133 HydrophobicContact CB-CB 3.76Å; N133-L135 VanDerWaalsContact C-N 3.31Å; N133-L135 PolarHBondContact O-N 3.3Å; N133-L135 WeakPolarHBondContact OD1-CA 3.31Å; N133-L135 WeakPolarHBondContact OD1-CB 3.39Å; N133-L135 PolarHBondContact OD1-N 2.95Å; N133-H136 PolarHBondContact ND2-ND1 3.01Å; N133-H136 PolarHBondContact O-N 2.79Å; N133-H136 PolarHBondContact OD1-N 2.81Å; N133-H136 PolarHBondContact OD1-ND1 2.87Å; N133-V137 PolarHBondContact O-N 3.13Å; N133-Y183 HydrophobicContact CB-CD1 4.22Å; N133-Y183 HydrophobicContact CB-CE1 3.89Å; N133-Y183 PolarHBondContact ND2-O 2.78Å; N133-M186 HydrophobicContact CB-CE 4.47Å
134A96.5Very high93.6Very high0 Ų032.9 Ų32.90%017%0.171CC..Hα-helixtrans-57.3-40179.200000113.5I96 L115 L126 V137 A138 V150 Y183I96-A134 HydrophobicContact CD1-CB 3.93Å; L115-A134 HydrophobicContact CD2-CB 4.02Å; L126-A134 HydrophobicContact CD1-CB 3.95Å; A134-V137 PolarHBondContact O-N 3.48Å; A134-A138 VanDerWaalsContact O-CB 3.3Å; A134-A138 WeakPolarHBondContact O-CB 3.29Å; A134-A138 PolarHBondContact O-N 2.75Å; A134-V150 HydrophobicContact CB-CG2 4.32Å; A134-Y183 HydrophobicContact CB-CE1 4.06Å
135L97.3Very high93.9Very high0 Ų036.3 Ų36.30%019%0.189CC..Hα-helixtrans-65.7-38.7179.3-101.965.1000112.7N133 A139 V150 L151 Y183 L184 P195 L211N133-L135 VanDerWaalsContact C-N 3.31Å; N133-L135 PolarHBondContact O-N 3.3Å; N133-L135 WeakPolarHBondContact OD1-CA 3.31Å; N133-L135 WeakPolarHBondContact OD1-CB 3.39Å; N133-L135 PolarHBondContact OD1-N 2.95Å; L135-A139 WeakPolarHBondContact O-CB 3.49Å; L135-A139 PolarHBondContact O-N 3.35Å; L135-V150 HydrophobicContact CD1-CB 3.82Å; L135-V150 HydrophobicContact CD1-CG1 3.5Å; L135-V150 VanDerWaalsContact CD1-CG1 3.5Å; L135-L151 HydrophobicContact CD2-CD2 3.99Å; L135-L151 HydrophobicContact CD2-CG 4.31Å; L135-Y183 HydrophobicContact CB-CD1 4.13Å; L135-Y183 HydrophobicContact CD1-CD1 3.74Å; L135-Y183 HydrophobicContact CD1-CE1 4.24Å; L135-Y183 HydrophobicContact CD2-CD1 4.41Å; L135-Y183 HydrophobicContact CG-CD1 4.29Å; L135-L184 HydrophobicContact CD2-CD2 4.1Å; L135-P195 HydrophobicContact CB-CB 4.04Å; L135-P195 HydrophobicContact CB-CG 3.9Å; L135-L211 HydrophobicContact CD2-CD2 3.87Å
136H96.6Very high94.1Very high1 Ų134.3 Ų34.31%0.00518%0.179CC..Hα-helixtrans-60.5-47.3174.6-73.988000111.6Y132 N133 R140 M186 A193 P195 F198Y132-H136 HydrophobicContact CD1-CB 3.82Å; Y132-H136 AromaticContact CD1-CD2 3.97Å; Y132-H136 AromaticContact CD1-CG 3.99Å; Y132-H136 HydrophobicContact CG-CB 3.81Å; N133-H136 PolarHBondContact ND2-ND1 3.01Å; N133-H136 PolarHBondContact O-N 2.79Å; N133-H136 PolarHBondContact OD1-N 2.81Å; N133-H136 PolarHBondContact OD1-ND1 2.87Å; H136-R140 VanDerWaalsContact O-CB 3.29Å; H136-R140 WeakPolarHBondContact O-CB 3.45Å; H136-R140 PolarHBondContact O-N 2.63Å; H136-M186 PolarHBondContact CE1-O 2.94Å; H136-M186 PolarHBondContact NE2-O 2.81Å; H136-A193 PolarHBondContact NE2-O 2.63Å; H136-P195 WeakPolarHBondContact NE2-CD 3.35Å; H136-F198 AromaticContact CD2-CD2 3.77Å; H136-F198 AromaticContact CD2-CE2 3.69Å
137V96.6Very high94.4Very high1 Ų133.9 Ų33.91%0.00618%0.177CC..Hα-helixtrans-64.1-48.3-179.7-178.40000110R93 I96 E97 Y132 N133 A134 R140 C141R93-V137 HydrophobicContact CG-CG1 4.2Å; R93-V137 HydrophobicContact CG-CG2 4.28Å; I96-V137 HydrophobicContact CB-CG1 4.09Å; I96-V137 HydrophobicContact CD1-CB 4.46Å; I96-V137 HydrophobicContact CG2-CB 4.26Å; I96-V137 HydrophobicContact CG2-CG1 3.79Å; E97-V137 HydrophobicContact CG-CG1 3.62Å; Y132-V137 HydrophobicContact CD2-CG2 4.42Å; N133-V137 PolarHBondContact O-N 3.13Å; A134-V137 PolarHBondContact O-N 3.48Å; V137-R140 PolarHBondContact O-N 3.31Å; V137-C141 WeakPolarHBondContact O-CB 3.2Å; V137-C141 PolarHBondContact O-N 3.3Å; V137-C141 PolarHBondContact O-SG 3Å
138A97.7Very high94.8Very high0 Ų034.9 Ų34.90%018%0.181CC..Hα-helixtrans-63.5-44.7179.600000112.4I96 A134 R140 C141 G142 N143 V146 C147I96-A138 HydrophobicContact CG2-CB 3.89Å; A134-A138 VanDerWaalsContact O-CB 3.3Å; A134-A138 WeakPolarHBondContact O-CB 3.29Å; A134-A138 PolarHBondContact O-N 2.75Å; A138-R140 VanDerWaalsContact C-N 3.33Å; A138-R140 PolarHBondContact O-N 3.38Å; A138-C141 PolarHBondContact O-N 3.17Å; A138-G142 PolarHBondContact O-N 3.17Å; A138-N143 HydrophobicContact CB-CB 4.3Å; A138-N143 PolarHBondContact O-N 2.9Å; A138-V146 HydrophobicContact CB-CB 4.03Å; A138-V146 HydrophobicContact CB-CG1 3.75Å; A138-C147 WeakPolarHBondContact CB-SG 3.47Å
139A97.4Very high95.3Very high0 Ų030.1 Ų30.10%016%0.156CC..Hα-helixtrans-63.3-36.1177.300000113L135 P195 F198 A199 N204 I207L135-A139 WeakPolarHBondContact O-CB 3.49Å; L135-A139 PolarHBondContact O-N 3.35Å; A139-P195 HydrophobicContact CB-CB 4.2Å; A139-P195 VanDerWaalsContact CB-O 3.29Å; A139-P195 WeakPolarHBondContact CB-O 3.36Å; A139-F198 HydrophobicContact CB-CB 4.25Å; A139-A199 HydrophobicContact CB-CB 4.06Å; A139-N204 PolarHBondContact O-ND2 3.01Å; A139-I207 HydrophobicContact CB-CG2 4.24Å
140R94.4Very high95.9Very high86 Ų8628 Ų2833%0.32513%0.133SC..Hα-helixtrans-69.2-43.3174.8-173.5-178.172.285.8-3.2111.9E97 H136 V137 A138 F198 F202E97-R140 IonicContact OE1-NH2 3.41Å; E97-R140 PolarHBondContact OE1-NH2 3.25Å; H136-R140 VanDerWaalsContact O-CB 3.29Å; H136-R140 WeakPolarHBondContact O-CB 3.45Å; H136-R140 PolarHBondContact O-N 2.63Å; V137-R140 PolarHBondContact O-N 3.31Å; A138-R140 VanDerWaalsContact C-N 3.33Å; A138-R140 PolarHBondContact O-N 3.38Å; R140-F198 HydrophobicContact CB-CB 4.49Å; R140-F202 HydrophobicContact CG-CD2 4.13Å; R140-F202 HydrophobicContact CG-CE2 3.66Å; R140-F202 HydrophobicContact CG-CZ 4.04Å
141C94.6Very high96.3Very high37 Ų3726.7 Ų26.725%0.2512%0.124CC..Hα-helixtrans-79.9-19.2-177.8-69.80000113.9F99 V137 A138F99-C141 HydrophobicContact CZ-CB 4.47Å; F99-C141 WeakPolarHBondContact CZ-O 3.32Å; V137-C141 WeakPolarHBondContact O-CB 3.2Å; V137-C141 PolarHBondContact O-N 3.3Å; V137-C141 PolarHBondContact O-SG 3Å; A138-C141 PolarHBondContact O-N 3.17Å
142G95.2Very high96.5Very high22 Ų2223.6 Ų23.623%0.22712%0.124CC..THydrogen-bonded Turntrans82.121.9-172.300000113.6A138 Y144 N204A138-G142 PolarHBondContact O-N 3.17Å; G142-Y144 PolarHBondContact O-N 2.7Å; G142-Y144 VanDerWaalsContact O-N 3.08Å; G142-N204 VanDerWaalsContact CA-CG 3.47Å; G142-N204 WeakPolarHBondContact CA-ND2 3.47Å; G142-N204 WeakPolarHBondContact CA-OD1 3.44Å; G142-N204 PolarHBondContact N-ND2 3.27Å
143N97.5Very high96.4Very high1 Ų123 Ų231%0.00512%0.122CC..  trans-82.883.2178.4-167.7-22.4000110.7I96 F99 A138 D145 V146 C147I96-N143 HydrophobicContact CG2-CB 4.43Å; I96-N143 PolarHBondContact O-ND2 3.33Å; F99-N143 HydrophobicContact CD1-CB 3.96Å; F99-N143 HydrophobicContact CE1-CB 3.67Å; F99-N143 HydrophobicContact CZ-CB 4.18Å; A138-N143 HydrophobicContact CB-CB 4.3Å; A138-N143 PolarHBondContact O-N 2.9Å; N143-D145 VanDerWaalsContact C-N 3.34Å; N143-D145 PolarHBondContact O-N 3.39Å; N143-V146 HydrophobicContact CB-CB 4.39Å; N143-V146 VanDerWaalsContact CG-CG2 3.49Å; N143-V146 VanDerWaalsContact ND2-CG2 3.28Å; N143-V146 WeakPolarHBondContact ND2-CG2 3.32Å; N143-V146 PolarHBondContact O-N 2.74Å; N143-V146 WeakPolarHBondContact OD1-CG2 3.14Å; N143-V146 PolarHBondContact OD1-N 3.15Å; N143-C147 PolarHBondContact O-N 2.98Å
144Y97.8Very high96.2Very high39 Ų3923 Ų2315%0.15312%0.123CC..Hα-helixtrans-58.3-44.5179.7173.4-91000112.3G142 V146 C147 E148 R206 I207 L210G142-Y144 PolarHBondContact O-N 2.7Å; G142-Y144 VanDerWaalsContact O-N 3.08Å; Y144-V146 VanDerWaalsContact C-N 3.27Å; Y144-V146 PolarHBondContact O-N 2.84Å; Y144-C147 WeakPolarHBondContact O-CA 3.46Å; Y144-C147 WeakPolarHBondContact O-CB 3.28Å; Y144-C147 PolarHBondContact O-N 3.13Å; Y144-E148 HydrophobicContact CE1-CB 4.04Å; Y144-E148 HydrophobicContact CE1-CG 4.39Å; Y144-E148 WeakPolarHBondContact CE1-OE1 3.26Å; Y144-E148 PolarHBondContact O-N 3.08Å; Y144-E148 PolarHBondContact OH-OE1 3.05Å; Y144-R206 HydrophobicContact CD2-CB 3.55Å; Y144-R206 HydrophobicContact CE2-CB 3.93Å; Y144-R206 HydrophobicContact CG-CB 4.31Å; Y144-I207 HydrophobicContact CD2-CG1 4.3Å; Y144-L210 HydrophobicContact CD2-CD2 4.32Å; Y144-L210 HydrophobicContact CE2-CB 4.06Å; Y144-L210 HydrophobicContact CE2-CD2 3.94Å
145D97.8Very high95.9Very high80 Ų8027.4 Ų27.443%0.42815%0.146SC..Hα-helixtrans-61.2-38.1-174.3-53-34.9000111.3M101 N143 F149M101-D145 HydrophobicContact CE-CB 4.07Å; M101-D145 WeakPolarHBondContact CE-O 3.4Å; M101-D145 HydrophobicContact CG-CB 4.41Å; M101-D145 HydrophobicContact SD-CB 4.1Å; N143-D145 VanDerWaalsContact C-N 3.34Å; N143-D145 PolarHBondContact O-N 3.39Å; D145-F149 WeakPolarHBondContact O-CB 3.36Å; D145-F149 PolarHBondContact O-N 2.84Å
146V97.7Very high95.5Very high0 Ų030.7 Ų30.70%016%0.164CC..Hα-helixtrans-66.9-43173.7169.20000111.7I96 M101 F104 A138 N143 Y144 V150I96-V146 HydrophobicContact CD1-CG1 4.28Å; I96-V146 HydrophobicContact CG1-CG1 4.12Å; I96-V146 HydrophobicContact CG1-CG2 4.4Å; I96-V146 HydrophobicContact CG2-CB 4.41Å; I96-V146 HydrophobicContact CG2-CG1 4.07Å; I96-V146 HydrophobicContact CG2-CG2 4.3Å; M101-V146 HydrophobicContact SD-CG2 3.83Å; F104-V146 HydrophobicContact CD1-CG2 3.94Å; F104-V146 HydrophobicContact CE1-CB 4.37Å; F104-V146 HydrophobicContact CE1-CG1 3.84Å; F104-V146 HydrophobicContact CE1-CG2 4.05Å; F104-V146 HydrophobicContact CE2-CG1 4.17Å; F104-V146 HydrophobicContact CG-CG2 4.21Å; F104-V146 HydrophobicContact CZ-CG1 3.65Å; F104-V146 HydrophobicContact CZ-CG2 4.44Å; A138-V146 HydrophobicContact CB-CB 4.03Å; A138-V146 HydrophobicContact CB-CG1 3.75Å; N143-V146 HydrophobicContact CB-CB 4.39Å; N143-V146 VanDerWaalsContact CG-CG2 3.49Å; N143-V146 VanDerWaalsContact ND2-CG2 3.28Å; N143-V146 WeakPolarHBondContact ND2-CG2 3.32Å; N143-V146 PolarHBondContact O-N 2.74Å; N143-V146 WeakPolarHBondContact OD1-CG2 3.14Å; N143-V146 PolarHBondContact OD1-N 3.15Å; Y144-V146 VanDerWaalsContact C-N 3.27Å; Y144-V146 PolarHBondContact O-N 2.84Å; V146-V150 HydrophobicContact CG1-CG2 4.14Å; V146-V150 WeakPolarHBondContact O-CB 3.07Å; V146-V150 VanDerWaalsContact O-CG2 3.24Å; V146-V150 WeakPolarHBondContact O-CG2 3.28Å; V146-V150 PolarHBondContact O-N 3.14Å
147C97.9Very high94.9Very high0 Ų033.4 Ų33.40%018%0.182CC..Hα-helixtrans-60.2-49.2177.2-73.10000111.4A138 N143 Y144 L151 L210A138-C147 WeakPolarHBondContact CB-SG 3.47Å; N143-C147 PolarHBondContact O-N 2.98Å; Y144-C147 WeakPolarHBondContact O-CA 3.46Å; Y144-C147 WeakPolarHBondContact O-CB 3.28Å; Y144-C147 PolarHBondContact O-N 3.13Å; C147-L151 WeakPolarHBondContact O-CB 3.29Å; C147-L151 WeakPolarHBondContact O-CD1 3.47Å; C147-L151 VanDerWaalsContact O-CG 3.23Å; C147-L151 WeakPolarHBondContact O-CG 3.4Å; C147-L151 PolarHBondContact O-N 2.73Å; C147-L210 HydrophobicContact CB-CD2 3.77Å
148E97.6Very high94.5Very high87 Ų8738.9 Ų38.941%0.40721%0.211SC..Hα-helixtrans-61.6-47.2179.6-174.9175.8-111.500111.3Y144 L151 S152 L210Y144-E148 HydrophobicContact CE1-CB 4.04Å; Y144-E148 HydrophobicContact CE1-CG 4.39Å; Y144-E148 WeakPolarHBondContact CE1-OE1 3.26Å; Y144-E148 PolarHBondContact O-N 3.08Å; Y144-E148 PolarHBondContact OH-OE1 3.05Å; E148-L151 PolarHBondContact O-N 3.4Å; E148-S152 VanDerWaalsContact O-CB 3.31Å; E148-S152 WeakPolarHBondContact O-CB 3.01Å; E148-S152 PolarHBondContact O-N 2.57Å; E148-L210 HydrophobicContact CB-CD2 4Å
149F97.5Very high94.1Very high43 Ų4339.1 Ų39.119%0.18921%0.212CC..Hα-helixtrans-65.3-45.2-179.6-177.3-99.6000113.1M101 F104 V105 A108 L109 D145 L151 S152 L153M101-F149 HydrophobicContact CE-CB 3.45Å; M101-F149 VanDerWaalsContact CE-CB 3.45Å; M101-F149 HydrophobicContact CE-CD1 4.28Å; M101-F149 HydrophobicContact CE-CD2 4.21Å; M101-F149 HydrophobicContact CE-CG 3.73Å; F104-F149 HydrophobicContact CD1-CD1 4.29Å; F104-F149 AromaticContact CE1-CD1 3.85Å; F104-F149 HydrophobicContact CE1-CD1 3.85Å; F104-F149 HydrophobicContact CE1-CE1 4.36Å; V105-F149 HydrophobicContact CB-CE1 4.41Å; V105-F149 HydrophobicContact CB-CZ 4.13Å; V105-F149 HydrophobicContact CG1-CE1 4.49Å; V105-F149 HydrophobicContact CG1-CE2 4.09Å; V105-F149 HydrophobicContact CG1-CZ 3.75Å; V105-F149 HydrophobicContact CG2-CD1 4.26Å; V105-F149 HydrophobicContact CG2-CD2 4.22Å; V105-F149 HydrophobicContact CG2-CE1 3.96Å; V105-F149 HydrophobicContact CG2-CE2 3.96Å; V105-F149 HydrophobicContact CG2-CG 4.36Å; V105-F149 HydrophobicContact CG2-CZ 3.82Å; A108-F149 HydrophobicContact CB-CE1 4.15Å; L109-F149 HydrophobicContact CD2-CZ 4.25Å; L109-F149 HydrophobicContact CG-CZ 4.25Å; D145-F149 WeakPolarHBondContact O-CB 3.36Å; D145-F149 PolarHBondContact O-N 2.84Å; F149-L151 VanDerWaalsContact C-N 3.35Å; F149-L151 PolarHBondContact O-N 3Å; F149-S152 WeakPolarHBondContact O-CB 3.46Å; F149-S152 PolarHBondContact O-N 3.2Å; F149-L153 HydrophobicContact CD1-CD1 3.87Å; F149-L153 HydrophobicContact CD1-CG 4.3Å; F149-L153 HydrophobicContact CE1-CD1 3.23Å; F149-L153 HydrophobicContact CE1-CG 3.93Å; F149-L153 HydrophobicContact CE2-CD1 4.46Å; F149-L153 HydrophobicContact CE2-CG 4.39Å; F149-L153 HydrophobicContact CZ-CD1 3.58Å; F149-L153 HydrophobicContact CZ-CD2 4.24Å; F149-L153 HydrophobicContact CZ-CG 3.96Å; F149-L153 WeakPolarHBondContact O-CG 3.28Å; F149-L153 PolarHBondContact O-N 3.12Å
150V96.7Very high93.5Very high0 Ų039.1 Ų39.10%021%0.212CC..Hα-helixtrans-61.9-45.9177.6171.50000110.2F104 L115 A134 L135 V146 S152 L153 L154 Y183F104-V150 HydrophobicContact CE1-CG2 3.97Å; F104-V150 HydrophobicContact CZ-CG2 3.68Å; L115-V150 HydrophobicContact CD1-CG2 4.32Å; L115-V150 HydrophobicContact CD2-CG1 4.44Å; L115-V150 HydrophobicContact CD2-CG2 3.99Å; A134-V150 HydrophobicContact CB-CG2 4.32Å; L135-V150 HydrophobicContact CD1-CB 3.82Å; L135-V150 HydrophobicContact CD1-CG1 3.5Å; L135-V150 VanDerWaalsContact CD1-CG1 3.5Å; V146-V150 HydrophobicContact CG1-CG2 4.14Å; V146-V150 WeakPolarHBondContact O-CB 3.07Å; V146-V150 VanDerWaalsContact O-CG2 3.24Å; V146-V150 WeakPolarHBondContact O-CG2 3.28Å; V146-V150 PolarHBondContact O-N 3.14Å; V150-S152 VanDerWaalsContact C-N 3.32Å; V150-S152 PolarHBondContact O-N 3Å; V150-L153 PolarHBondContact O-N 3.48Å; V150-L154 HydrophobicContact CG1-CD1 3.9Å; V150-L154 HydrophobicContact CG1-CG 4.31Å; V150-L154 VanDerWaalsContact O-CG 3.24Å; V150-L154 WeakPolarHBondContact O-CG 3.45Å; V150-L154 PolarHBondContact O-N 3.16Å; V150-Y183 HydrophobicContact CG1-CD1 4.26Å; V150-Y183 HydrophobicContact CG1-CE1 4.02Å
151L96Very high93.2Very high0 Ų039.7 Ų39.70%022%0.217CC..Hα-helixtrans-65.6-35.2178.7-69.4168.8000112.4L135 C147 E148 F149 N155 L180 L184 L210 L211 Y214L135-L151 HydrophobicContact CD2-CD2 3.99Å; L135-L151 HydrophobicContact CD2-CG 4.31Å; C147-L151 WeakPolarHBondContact O-CB 3.29Å; C147-L151 WeakPolarHBondContact O-CD1 3.47Å; C147-L151 VanDerWaalsContact O-CG 3.23Å; C147-L151 WeakPolarHBondContact O-CG 3.4Å; C147-L151 PolarHBondContact O-N 2.73Å; E148-L151 PolarHBondContact O-N 3.4Å; F149-L151 VanDerWaalsContact C-N 3.35Å; F149-L151 PolarHBondContact O-N 3Å; L151-N155 WeakPolarHBondContact O-CB 3.38Å; L151-N155 PolarHBondContact O-N 2.89Å; L151-N155 VanDerWaalsContact O-N 3.1Å; L151-L180 HydrophobicContact CD2-CD1 3.57Å; L151-L184 HydrophobicContact CD1-CD2 4.47Å; L151-L184 HydrophobicContact CD2-CD2 3.82Å; L151-L184 HydrophobicContact CD2-CG 4.23Å; L151-L210 HydrophobicContact CD1-CD2 4.07Å; L151-L210 HydrophobicContact CD1-CG 4.03Å; L151-L211 HydrophobicContact CD1-CD2 4.21Å; L151-Y214 HydrophobicContact CB-CE2 4.36Å; L151-Y214 WeakPolarHBondContact CB-OH 3.11Å; L151-Y214 HydrophobicContact CD1-CD2 4.31Å; L151-Y214 HydrophobicContact CD1-CE2 3.7Å; L151-Y214 HydrophobicContact CG-CE2 4.44Å
152S94.9Very high92.8Very high73 Ų7342.4 Ų42.451%0.5122%0.222SC..Hα-helixtrans-62.5-47.4172.3-176.70000111.8E148 F149 V150 L154 N155 D156E148-S152 VanDerWaalsContact O-CB 3.31Å; E148-S152 WeakPolarHBondContact O-CB 3.01Å; E148-S152 PolarHBondContact O-N 2.57Å; F149-S152 WeakPolarHBondContact O-CB 3.46Å; F149-S152 PolarHBondContact O-N 3.2Å; V150-S152 VanDerWaalsContact C-N 3.32Å; V150-S152 PolarHBondContact O-N 3Å; S152-L154 VanDerWaalsContact C-N 3.35Å; S152-L154 PolarHBondContact O-N 2.76Å; S152-N155 PolarHBondContact O-N 2.65Å; S152-N155 VanDerWaalsContact O-N 3.11Å; S152-D156 PolarHBondContact O-N 3.15Å
153L92.8Very high92.1Very high13 Ų1341.6 Ų41.67%0.06821%0.213CC..Hα-helixtrans-64.6-38.1178-75-176.4000112.5A108 L109 L115 F149 V150 N155 D156 Y159A108-L153 HydrophobicContact CB-CD1 4.43Å; L109-L153 HydrophobicContact CD2-CD1 4.41Å; L109-L153 HydrophobicContact CD2-CD2 3.95Å; L115-L153 HydrophobicContact CD1-CD1 4Å; F149-L153 HydrophobicContact CD1-CD1 3.87Å; F149-L153 HydrophobicContact CD1-CG 4.3Å; F149-L153 HydrophobicContact CE1-CD1 3.23Å; F149-L153 HydrophobicContact CE1-CG 3.93Å; F149-L153 HydrophobicContact CE2-CD1 4.46Å; F149-L153 HydrophobicContact CE2-CG 4.39Å; F149-L153 HydrophobicContact CZ-CD1 3.58Å; F149-L153 HydrophobicContact CZ-CD2 4.24Å; F149-L153 HydrophobicContact CZ-CG 3.96Å; F149-L153 WeakPolarHBondContact O-CG 3.28Å; F149-L153 PolarHBondContact O-N 3.12Å; V150-L153 PolarHBondContact O-N 3.48Å; L153-N155 PolarHBondContact O-N 2.98Å; L153-D156 PolarHBondContact O-N 3.28Å; L153-D156 VanDerWaalsContact O-N 3.16Å; L153-Y159 HydrophobicContact CB-CD1 4.09Å; L153-Y159 HydrophobicContact CB-CE1 4.2Å; L153-Y159 HydrophobicContact CB-CG 4.34Å; L153-Y159 HydrophobicContact CD1-CD2 4.49Å; L153-Y159 HydrophobicContact CD1-CE1 4.46Å; L153-Y159 HydrophobicContact CD1-CE2 4.03Å; L153-Y159 HydrophobicContact CD2-CD2 3.91Å; L153-Y159 HydrophobicContact CD2-CE2 4.25Å; L153-Y159 HydrophobicContact CD2-CG 4.16Å
154L90.4Very high91.3Very high1 Ų142.9 Ų42.91%0.00522%0.218CC..Hα-helixtrans-69.9-17.5175.1-65.8175.5000112.7I116 V150 S152 R176 T179 L180 Y183I116-L154 HydrophobicContact CD1-CD2 3.7Å; I116-L154 HydrophobicContact CG1-CD2 4.07Å; V150-L154 HydrophobicContact CG1-CD1 3.9Å; V150-L154 HydrophobicContact CG1-CG 4.31Å; V150-L154 VanDerWaalsContact O-CG 3.24Å; V150-L154 WeakPolarHBondContact O-CG 3.45Å; V150-L154 PolarHBondContact O-N 3.16Å; S152-L154 VanDerWaalsContact C-N 3.35Å; S152-L154 PolarHBondContact O-N 2.76Å; L154-R176 WeakPolarHBondContact O-CD 2.91Å; L154-R176 WeakPolarHBondContact O-CG 3.42Å; L154-T179 HydrophobicContact CD2-CG2 3.87Å; L154-L180 HydrophobicContact CB-CD1 4.2Å; L154-L180 HydrophobicContact CD1-CD1 4.34Å; L154-Y183 HydrophobicContact CD1-CD1 4.41Å; L154-Y183 HydrophobicContact CD1-CD2 3.29Å; L154-Y183 HydrophobicContact CD1-CE2 3.9Å; L154-Y183 HydrophobicContact CD1-CG 3.59Å; L154-Y183 HydrophobicContact CD2-CD2 4.2Å; L154-Y183 HydrophobicContact CD2-CE2 4.21Å; L154-Y183 HydrophobicContact CG-CD2 4.36Å
155N89Confident90.3Very high92 Ų9245.5 Ų45.549%0.49224%0.24SC..Hα-helixtrans-90.1-10.2172.9-156.856.6000113L151 S152 L153 R176L151-N155 WeakPolarHBondContact O-CB 3.38Å; L151-N155 PolarHBondContact O-N 2.89Å; L151-N155 VanDerWaalsContact O-N 3.1Å; S152-N155 PolarHBondContact O-N 2.65Å; S152-N155 VanDerWaalsContact O-N 3.11Å; L153-N155 PolarHBondContact O-N 2.98Å; N155-R176 PolarHBondContact OD1-NH1 2.92Å
156D88.8Confident89.4Confident69 Ų6951.9 Ų51.937%0.36926%0.258SS..  trans-86.4109.8176.6-178.2-4.9000110.8S152 L153 D158 Y159 V160S152-D156 PolarHBondContact O-N 3.15Å; L153-D156 PolarHBondContact O-N 3.28Å; L153-D156 VanDerWaalsContact O-N 3.16Å; D156-D158 VanDerWaalsContact C-N 3.26Å; D156-D158 PolarHBondContact O-N 3.39Å; D156-D158 WeakPolarHBondContact OD1-CB 3.34Å; D156-D158 PolarHBondContact OD1-N 3.01Å; D156-Y159 PolarHBondContact O-N 3.3Å; D156-Y159 PolarHBondContact OD1-N 3.44Å; D156-V160 PolarHBondContact O-N 3.25Å
157C84.8Confident88.6Confident58 Ų5854.3 Ų54.339%0.39228%0.275SS..Hα-helixtrans-62-33.1178.6-63.90000112.6K161C157-K161 WeakPolarHBondContact O-CB 3.38Å; C157-K161 PolarHBondContact O-N 3.49Å
158D88.1Confident88Confident115 Ų11556.6 Ų56.662%0.61529%0.291SS*.Hα-helixtrans-70.8-37.9179.6-71.1-40000110.7D156 K161 R162D156-D158 VanDerWaalsContact C-N 3.26Å; D156-D158 PolarHBondContact O-N 3.39Å; D156-D158 WeakPolarHBondContact OD1-CB 3.34Å; D156-D158 PolarHBondContact OD1-N 3.01Å; D158-K161 PolarHBondContact O-N 3.43Å; D158-R162 WeakPolarHBondContact O-CG 3.28Å; D158-R162 PolarHBondContact O-N 2.92Å
159Y89.1Confident87.3Confident5 Ų560.5 Ų60.52%0.0231%0.306CS..Hα-helixtrans-60.9-47.6174.2-178.7-95.9000112.2A108 L109 P112 L153 D156 R162A108-Y159 PolarHBondContact O-OH 2.81Å; L109-Y159 HydrophobicContact CD2-CE2 4.46Å; P112-Y159 VanDerWaalsContact CA-OH 3.28Å; P112-Y159 WeakPolarHBondContact CA-OH 3.13Å; P112-Y159 HydrophobicContact CB-CE1 4.25Å; P112-Y159 HydrophobicContact CB-CE2 4.13Å; P112-Y159 HydrophobicContact CG-CE2 4.01Å; L153-Y159 HydrophobicContact CB-CD1 4.09Å; L153-Y159 HydrophobicContact CB-CE1 4.2Å; L153-Y159 HydrophobicContact CB-CG 4.34Å; L153-Y159 HydrophobicContact CD1-CD2 4.49Å; L153-Y159 HydrophobicContact CD1-CE1 4.46Å; L153-Y159 HydrophobicContact CD1-CE2 4.03Å; L153-Y159 HydrophobicContact CD2-CD2 3.91Å; L153-Y159 HydrophobicContact CD2-CE2 4.25Å; L153-Y159 HydrophobicContact CD2-CG 4.16Å; D156-Y159 PolarHBondContact O-N 3.3Å; D156-Y159 PolarHBondContact OD1-N 3.44Å; Y159-R162 WeakPolarHBondContact O-CB 3.22Å; Y159-R162 PolarHBondContact O-N 3.06Å
160V85.7Confident86.6Confident1 Ų164.4 Ų64.41%0.00633%0.325CS..Hα-helixtrans-67.9-38.7178.5-179.30000111.4I116 D156 R162 L163 F164 V172 R176I116-V160 HydrophobicContact CD1-CG2 4.32Å; D156-V160 PolarHBondContact O-N 3.25Å; V160-R162 PolarHBondContact O-N 2.8Å; V160-L163 WeakPolarHBondContact O-CB 3.4Å; V160-L163 PolarHBondContact O-N 3.29Å; V160-F164 HydrophobicContact CG1-CD2 4.3Å; V160-F164 HydrophobicContact CG1-CE2 4.36Å; V160-V172 HydrophobicContact CB-CG1 4.28Å; V160-V172 HydrophobicContact CG1-CG1 4.09Å; V160-R176 HydrophobicContact CG1-CB 4.47Å; V160-R176 HydrophobicContact CG2-CB 4.37Å; V160-R176 HydrophobicContact CG2-CG 4.07Å
161K86.8Confident86Confident98 Ų9868.9 Ų68.943%0.42635%0.349SS..Hα-helixtrans-59.1-28.2177.6-173.8178177.6-172.30113.1C157 D158 L163 F164 V172C157-K161 WeakPolarHBondContact O-CB 3.38Å; C157-K161 PolarHBondContact O-N 3.49Å; D158-K161 PolarHBondContact O-N 3.43Å; K161-L163 PolarHBondContact O-N 3.16Å; K161-F164 CarbonylContact O-C 3.36Å; K161-F164 VanDerWaalsContact O-C 3.25Å; K161-F164 PolarHBondContact O-N 2.79Å; K161-F164 VanDerWaalsContact O-N 3.14Å; K161-V172 HydrophobicContact CB-CG1 4.2Å
162R86.6Confident85.5Confident93 Ų9369.3 Ų69.335%0.35135%0.352SS..THydrogen-bonded Turntrans-57.2-35.7174.3-69167.267.2-162.9-1.9112.3F81 L109 D158 Y159 V160F81-R162 HydrophobicContact CE2-CB 4.09Å; F81-R162 WeakPolarHBondContact CE2-O 3.31Å; F81-R162 HydrophobicContact CZ-CB 4.16Å; L109-R162 PolarHBondContact O-NH1 3.13Å; L109-R162 PolarHBondContact O-NH2 3.29Å; D158-R162 WeakPolarHBondContact O-CG 3.28Å; D158-R162 PolarHBondContact O-N 2.92Å; Y159-R162 WeakPolarHBondContact O-CB 3.22Å; Y159-R162 PolarHBondContact O-N 3.06Å; V160-R162 PolarHBondContact O-N 2.8Å
163L80.8Confident85.1Confident6 Ų668 Ų683%0.03134%0.338CS..THydrogen-bonded Turntrans-74.3-30.4179.2-72.2164.7000112.7F81 P112 R113 I116 L118 V160 K161 P165F81-L163 HydrophobicContact CD2-CD2 4.36Å; P112-L163 HydrophobicContact CB-CD1 4.08Å; P112-L163 HydrophobicContact CB-CD2 3.83Å; P112-L163 HydrophobicContact CB-CG 3.85Å; R113-L163 HydrophobicContact CG-CD2 3.82Å; I116-L163 HydrophobicContact CB-CD1 3.57Å; I116-L163 HydrophobicContact CD1-CD1 3.74Å; I116-L163 HydrophobicContact CG1-CD1 4.11Å; I116-L163 HydrophobicContact CG2-CD1 3.95Å; L118-L163 HydrophobicContact CD1-CB 4.39Å; L118-L163 VanDerWaalsContact CD1-O 3.27Å; L118-L163 WeakPolarHBondContact CD1-O 3.11Å; V160-L163 WeakPolarHBondContact O-CB 3.4Å; V160-L163 PolarHBondContact O-N 3.29Å; K161-L163 PolarHBondContact O-N 3.16Å; L163-P165 VanDerWaalsContact C-CD 3.43Å; L163-P165 WeakPolarHBondContact O-CD 3.28Å
164F80.7Confident84.8Confident27 Ų2771 Ų7112%0.11835%0.354CS..  trans-126.263-173.7-50.7-77.8000111.8L118 D121 V160 K161 R166 S167L118-F164 HydrophobicContact CD1-CD1 3.85Å; L118-F164 HydrophobicContact CD1-CE1 3.48Å; L118-F164 VanDerWaalsContact CD1-CE1 3.48Å; L118-F164 HydrophobicContact CD1-CZ 4.08Å; L118-F164 HydrophobicContact CG-CE1 4.42Å; D121-F164 VanDerWaalsContact OD1-CE1 3.23Å; D121-F164 WeakPolarHBondContact OD1-CE1 3.34Å; D121-F164 WeakPolarHBondContact OD1-CZ 3.11Å; V160-F164 HydrophobicContact CG1-CD2 4.3Å; V160-F164 HydrophobicContact CG1-CE2 4.36Å; K161-F164 CarbonylContact O-C 3.36Å; K161-F164 VanDerWaalsContact O-C 3.25Å; K161-F164 PolarHBondContact O-N 2.79Å; K161-F164 VanDerWaalsContact O-N 3.14Å; F164-R166 PolarHBondContact O-N 3.03Å; F164-R166 VanDerWaalsContact O-N 3.09Å; F164-S167 PolarHBondContact O-N 3.1Å; F164-S167 VanDerWaalsContact O-N 3.07Å
165P77.1Confident84.5Confident94 Ų9471.5 Ų71.561%0.6136%0.358SS*.THydrogen-bonded Turntrans-64.2-21.9-169.924.1-34.3000114.2L163L163-P165 VanDerWaalsContact C-CD 3.43Å; L163-P165 WeakPolarHBondContact O-CD 3.28Å
166R78.9Confident84.5Confident215 Ų21568.3 Ų68.381%0.81134%0.339SS*.THydrogen-bonded Turntrans-97.4-2.7179.8-65.1-176.2178.2153.1-0.1113.9F164F164-R166 PolarHBondContact O-N 3.03Å; F164-R166 VanDerWaalsContact O-N 3.09Å
167S81.2Confident84.5Confident50 Ų5071 Ų7135%0.3534%0.344SS..SBendtrans-80.1149.4-178.9-67.70000111.4F164F164-S167 PolarHBondContact O-N 3.1Å; F164-S167 VanDerWaalsContact O-N 3.07Å
168S84.8Confident84.7Confident48 Ų4872.6 Ų72.634%0.33635%0.352SS..  trans-63.7161.2171.9640000111.2E170 N171 V172S168-E170 VanDerWaalsContact C-N 3.25Å; S168-E170 WeakPolarHBondContact CB-OE2 3.29Å; S168-E170 PolarHBondContact O-N 3.11Å; S168-N171 PolarHBondContact O-N 2.71Å; S168-N171 WeakPolarHBondContact OG-CB 3.18Å; S168-N171 PolarHBondContact OG-N 2.72Å; S168-N171 PolarHBondContact OG-ND2 2.9Å; S168-N171 PolarHBondContact OG-OD1 3.21Å; S168-V172 WeakPolarHBondContact O-CG2 3.15Å; S168-V172 PolarHBondContact O-N 3.49Å; S168-V172 VanDerWaalsContact O-N 3.08Å
169K83.3Confident84.9Confident169 Ų16967.2 Ų67.274%0.73532%0.323SS*.Hα-helixtrans-59.2-39.5176.9-89.8-173.3172.1-178.40111.7V172 E173K169-V172 PolarHBondContact O-N 2.8Å; K169-E173 PolarHBondContact O-N 2.87Å
170E83.2Confident85Confident126 Ų12667.1 Ų67.159%0.58932%0.322SS*.Hα-helixtrans-64.1-45.1-179.5-61.669.9-150.300110.7S168 V172 E173 D174S168-E170 VanDerWaalsContact C-N 3.25Å; S168-E170 WeakPolarHBondContact CB-OE2 3.29Å; S168-E170 PolarHBondContact O-N 3.11Å; E170-V172 PolarHBondContact O-N 3.32Å; E170-E173 PolarHBondContact O-N 2.75Å; E170-D174 PolarHBondContact O-N 3.28Å
171N83.9Confident85.3Confident94 Ų9469.3 Ų69.350%0.50334%0.338SS..Hα-helixtrans-66.5-37.4178.6-69.10000112S168 D174 A175S168-N171 PolarHBondContact O-N 2.71Å; S168-N171 WeakPolarHBondContact OG-CB 3.18Å; S168-N171 PolarHBondContact OG-N 2.72Å; S168-N171 PolarHBondContact OG-ND2 2.9Å; S168-N171 PolarHBondContact OG-OD1 3.21Å; N171-D174 PolarHBondContact O-N 3.41Å; N171-A175 WeakPolarHBondContact O-CB 3.37Å; N171-A175 PolarHBondContact O-N 3.14Å
172V85.2Confident85.6Confident9 Ų965.5 Ų65.56%0.05533%0.325CS..Hα-helixtrans-64.7-41.9175.3172.60000110.6V160 K161 S168 K169 E170 A175 R176V160-V172 HydrophobicContact CB-CG1 4.28Å; V160-V172 HydrophobicContact CG1-CG1 4.09Å; K161-V172 HydrophobicContact CB-CG1 4.2Å; S168-V172 WeakPolarHBondContact O-CG2 3.15Å; S168-V172 PolarHBondContact O-N 3.49Å; S168-V172 VanDerWaalsContact O-N 3.08Å; K169-V172 PolarHBondContact O-N 2.8Å; E170-V172 PolarHBondContact O-N 3.32Å; V172-A175 PolarHBondContact O-N 3.13Å; V172-R176 VanDerWaalsContact O-CB 3.27Å; V172-R176 WeakPolarHBondContact O-CB 3.47Å; V172-R176 PolarHBondContact O-N 2.97Å
173E86.7Confident86Confident46 Ų4661.1 Ų61.122%0.21531%0.308CS..Hα-helixtrans-66.8-39.8177.2179.757.5-158.200111.9K169 E170 R176 R177K169-E173 PolarHBondContact O-N 2.87Å; E170-E173 PolarHBondContact O-N 2.75Å; E173-R176 WeakPolarHBondContact O-CB 3.28Å; E173-R176 PolarHBondContact O-N 2.76Å; E173-R176 IonicContact OE1-CZ 3.31Å; E173-R176 IonicContact OE1-NE 3.13Å; E173-R176 PolarHBondContact OE1-NE 3.11Å; E173-R176 IonicContact OE1-NH2 3.57Å; E173-R176 PolarHBondContact OE1-NH2 3.28Å; E173-R176 IonicContact OE2-CZ 2.79Å; E173-R176 IonicContact OE2-NE 2.8Å; E173-R176 PolarHBondContact OE2-NE 2.74Å; E173-R176 IonicContact OE2-NH2 2.72Å; E173-R177 WeakPolarHBondContact O-CB 3.18Å; E173-R177 WeakPolarHBondContact O-CG 3.38Å; E173-R177 PolarHBondContact O-N 3.38Å; E173-R177 IonicContact OE1-NH1 2.92Å
174D85.4Confident86.7Confident76 Ų7660.9 Ų60.941%0.40631%0.307SS..Hα-helixtrans-63.9-46.3173.5-78.2-23.6000112.1E170 N171 R176 R177 V178E170-D174 PolarHBondContact O-N 3.28Å; N171-D174 PolarHBondContact O-N 3.41Å; D174-R176 VanDerWaalsContact C-N 3.31Å; D174-R176 PolarHBondContact O-N 3.47Å; D174-R177 PolarHBondContact O-N 3.41Å; D174-R177 IonicContact OD1-CZ 2.8Å; D174-R177 IonicContact OD1-NE 3.21Å; D174-R177 PolarHBondContact OD1-NE 2.86Å; D174-R177 IonicContact OD1-NH2 3.34Å; D174-R177 PolarHBondContact OD1-NH2 3.25Å; D174-V178 WeakPolarHBondContact O-CB 3.31Å; D174-V178 VanDerWaalsContact O-CG2 3.3Å; D174-V178 WeakPolarHBondContact O-CG2 3.15Å; D174-V178 PolarHBondContact O-N 3.46Å
175A84.8Confident87.4Confident10 Ų1060.9 Ų60.98%0.08331%0.308CS..Hα-helixtrans-58.1-45.2174.200000110.9N171 V172 R177 V178 T179N171-A175 WeakPolarHBondContact O-CB 3.37Å; N171-A175 PolarHBondContact O-N 3.14Å; V172-A175 PolarHBondContact O-N 3.13Å; A175-R177 PolarHBondContact O-N 3.13Å; A175-V178 PolarHBondContact O-N 3.28Å; A175-T179 WeakPolarHBondContact O-CB 3.29Å; A175-T179 PolarHBondContact O-N 3.4Å; A175-T179 PolarHBondContact O-OG1 2.73Å
176R89.4Confident88.1Confident26 Ų2659 Ų5910%0.09829%0.292CS..Hα-helixtrans-56.9-49.4176-170.2-166.973.378.1-3.3111.7L154 N155 V160 V172 E173 D174 T179 L180L154-R176 WeakPolarHBondContact O-CD 2.91Å; L154-R176 WeakPolarHBondContact O-CG 3.42Å; N155-R176 PolarHBondContact OD1-NH1 2.92Å; V160-R176 HydrophobicContact CG1-CB 4.47Å; V160-R176 HydrophobicContact CG2-CB 4.37Å; V160-R176 HydrophobicContact CG2-CG 4.07Å; V172-R176 VanDerWaalsContact O-CB 3.27Å; V172-R176 WeakPolarHBondContact O-CB 3.47Å; V172-R176 PolarHBondContact O-N 2.97Å; E173-R176 WeakPolarHBondContact O-CB 3.28Å; E173-R176 PolarHBondContact O-N 2.76Å; E173-R176 IonicContact OE1-CZ 3.31Å; E173-R176 IonicContact OE1-NE 3.13Å; E173-R176 PolarHBondContact OE1-NE 3.11Å; E173-R176 IonicContact OE1-NH2 3.57Å; E173-R176 PolarHBondContact OE1-NH2 3.28Å; E173-R176 IonicContact OE2-CZ 2.79Å; E173-R176 IonicContact OE2-NE 2.8Å; E173-R176 PolarHBondContact OE2-NE 2.74Å; E173-R176 IonicContact OE2-NH2 2.72Å; D174-R176 VanDerWaalsContact C-N 3.31Å; D174-R176 PolarHBondContact O-N 3.47Å; R176-T179 PolarHBondContact O-N 2.83Å; R176-L180 VanDerWaalsContact O-CB 3.23Å; R176-L180 WeakPolarHBondContact O-CB 3.45Å; R176-L180 PolarHBondContact O-N 3.49Å
177R89Confident88.7Confident126 Ų12651.3 Ų51.348%0.47527%0.27SS..Hα-helixtrans-60.3-46.2177.9-75.5-170.3-78.2-128.511.4112E173 D174 A175 S181E173-R177 WeakPolarHBondContact O-CB 3.18Å; E173-R177 WeakPolarHBondContact O-CG 3.38Å; E173-R177 PolarHBondContact O-N 3.38Å; E173-R177 IonicContact OE1-NH1 2.92Å; D174-R177 PolarHBondContact O-N 3.41Å; D174-R177 IonicContact OD1-CZ 2.8Å; D174-R177 IonicContact OD1-NE 3.21Å; D174-R177 PolarHBondContact OD1-NE 2.86Å; D174-R177 IonicContact OD1-NH2 3.34Å; D174-R177 PolarHBondContact OD1-NH2 3.25Å; A175-R177 PolarHBondContact O-N 3.13Å; R177-S181 WeakPolarHBondContact O-CB 3.31Å; R177-S181 PolarHBondContact O-N 3.08Å
178V88.9Confident89.2Confident91 Ų9149 Ų4955%0.55225%0.254SS*.Hα-helixtrans-65.1-48.3179.5171.40000110.9D174 A175 L180 S181 A182D174-V178 WeakPolarHBondContact O-CB 3.31Å; D174-V178 VanDerWaalsContact O-CG2 3.3Å; D174-V178 WeakPolarHBondContact O-CG2 3.15Å; D174-V178 PolarHBondContact O-N 3.46Å; A175-V178 PolarHBondContact O-N 3.28Å; V178-L180 PolarHBondContact O-N 3.4Å; V178-S181 PolarHBondContact O-N 2.9Å; V178-A182 WeakPolarHBondContact O-CB 3.28Å; V178-A182 PolarHBondContact O-N 2.98Å
179T90.6Very high89.4Confident1 Ų154.4 Ų54.41%0.00627%0.271CS..Hα-helixtrans-63.7-42.1179.3-58.70000111.8I116 D121 L154 A175 R176 A182 Y183I116-T179 HydrophobicContact CD1-CG2 4.02Å; I116-T179 HydrophobicContact CG1-CG2 3.93Å; I116-T179 HydrophobicContact CG2-CG2 4.18Å; D121-T179 PolarHBondContact O-OG1 2.88Å; L154-T179 HydrophobicContact CD2-CG2 3.87Å; A175-T179 WeakPolarHBondContact O-CB 3.29Å; A175-T179 PolarHBondContact O-N 3.4Å; A175-T179 PolarHBondContact O-OG1 2.73Å; R176-T179 PolarHBondContact O-N 2.83Å; T179-A182 PolarHBondContact O-N 3.3Å; T179-Y183 HydrophobicContact CG2-CD2 3.88Å; T179-Y183 HydrophobicContact CG2-CE2 4.12Å; T179-Y183 PolarHBondContact O-N 2.78Å
180L92.4Very high89.5Confident3 Ų352.5 Ų52.52%0.01627%0.266CS..Hα-helixtrans-60.7-49.5175.5177.362.6000111.1L151 L154 R176 V178 A182 Y183 L184 Y214L151-L180 HydrophobicContact CD2-CD1 3.57Å; L154-L180 HydrophobicContact CB-CD1 4.2Å; L154-L180 HydrophobicContact CD1-CD1 4.34Å; R176-L180 VanDerWaalsContact O-CB 3.23Å; R176-L180 WeakPolarHBondContact O-CB 3.45Å; R176-L180 PolarHBondContact O-N 3.49Å; V178-L180 PolarHBondContact O-N 3.4Å; L180-A182 VanDerWaalsContact C-N 3.29Å; L180-A182 PolarHBondContact O-N 3.16Å; L180-Y183 PolarHBondContact O-N 2.77Å; L180-L184 HydrophobicContact CD1-CD1 4.16Å; L180-L184 HydrophobicContact CD1-CG 4.48Å; L180-L184 HydrophobicContact CG-CD1 4.16Å; L180-L184 WeakPolarHBondContact O-CG 3.31Å; L180-L184 PolarHBondContact O-N 3.22Å; L180-L184 VanDerWaalsContact O-N 3.08Å; L180-Y214 HydrophobicContact CD1-CE1 4.46Å; L180-Y214 HydrophobicContact CD2-CD1 4.37Å
181S92.4Very high89.7Confident47 Ų4749.1 Ų49.133%0.32925%0.252SS..Hα-helixtrans-58.5-42.3176-177.20000111.5R177 V178 L184 N185R177-S181 WeakPolarHBondContact O-CB 3.31Å; R177-S181 PolarHBondContact O-N 3.08Å; V178-S181 PolarHBondContact O-N 2.9Å; S181-L184 PolarHBondContact O-N 2.96Å; S181-N185 VanDerWaalsContact O-CB 3.24Å; S181-N185 WeakPolarHBondContact O-CB 3.49Å; S181-N185 PolarHBondContact O-N 3.3Å; S181-N185 PolarHBondContact O-ND2 2.77Å; S181-N185 VanDerWaalsContact O-ND2 3.14Å; S181-N185 PolarHBondContact OG-ND2 2.76Å
182A92.7Very high90.1Very high18 Ų1847.2 Ų47.215%0.14924%0.242CC..Hα-helixtrans-64.7-40.8176.700000112.5P123 V178 T179 L180 L184 N185 M186P123-A182 HydrophobicContact CG-CB 3.68Å; V178-A182 WeakPolarHBondContact O-CB 3.28Å; V178-A182 PolarHBondContact O-N 2.98Å; T179-A182 PolarHBondContact O-N 3.3Å; L180-A182 VanDerWaalsContact C-N 3.29Å; L180-A182 PolarHBondContact O-N 3.16Å; A182-L184 VanDerWaalsContact C-N 3.31Å; A182-L184 PolarHBondContact O-N 3.1Å; A182-N185 PolarHBondContact O-N 2.85Å; A182-M186 HydrophobicContact CB-CG 3.93Å; A182-M186 HydrophobicContact CB-SD 4.04Å; A182-M186 WeakPolarHBondContact O-CB 3.47Å; A182-M186 WeakPolarHBondContact O-CG 3.49Å; A182-M186 PolarHBondContact O-N 2.94Å
183Y95.3Very high90.4Very high1 Ų146.9 Ų46.90%0.00424%0.24CC..Hα-helixtrans-61.1-40.7176.4-105.2-74.8000112.3L115 P123 N133 A134 L135 V150 L154 T179 L180 P195L115-Y183 WeakPolarHBondContact CA-OH 3.11Å; L115-Y183 WeakPolarHBondContact O-CE2 3.16Å; L115-Y183 PolarHBondContact O-OH 3.38Å; P123-Y183 HydrophobicContact CB-CD1 4.11Å; P123-Y183 HydrophobicContact CB-CD2 3.59Å; P123-Y183 HydrophobicContact CB-CE1 3.95Å; P123-Y183 HydrophobicContact CB-CE2 3.39Å; P123-Y183 HydrophobicContact CB-CG 3.95Å; P123-Y183 HydrophobicContact CG-CD1 4.38Å; P123-Y183 HydrophobicContact CG-CD2 3.38Å; P123-Y183 HydrophobicContact CG-CE2 3.7Å; P123-Y183 HydrophobicContact CG-CG 3.76Å; N133-Y183 HydrophobicContact CB-CD1 4.22Å; N133-Y183 HydrophobicContact CB-CE1 3.89Å; N133-Y183 PolarHBondContact ND2-O 2.78Å; A134-Y183 HydrophobicContact CB-CE1 4.06Å; L135-Y183 HydrophobicContact CB-CD1 4.13Å; L135-Y183 HydrophobicContact CD1-CD1 3.74Å; L135-Y183 HydrophobicContact CD1-CE1 4.24Å; L135-Y183 HydrophobicContact CD2-CD1 4.41Å; L135-Y183 HydrophobicContact CG-CD1 4.29Å; V150-Y183 HydrophobicContact CG1-CD1 4.26Å; V150-Y183 HydrophobicContact CG1-CE1 4.02Å; L154-Y183 HydrophobicContact CD1-CD1 4.41Å; L154-Y183 HydrophobicContact CD1-CD2 3.29Å; L154-Y183 HydrophobicContact CD1-CE2 3.9Å; L154-Y183 HydrophobicContact CD1-CG 3.59Å; L154-Y183 HydrophobicContact CD2-CD2 4.2Å; L154-Y183 HydrophobicContact CD2-CE2 4.21Å; L154-Y183 HydrophobicContact CG-CD2 4.36Å; T179-Y183 HydrophobicContact CG2-CD2 3.88Å; T179-Y183 HydrophobicContact CG2-CE2 4.12Å; T179-Y183 PolarHBondContact O-N 2.78Å; L180-Y183 PolarHBondContact O-N 2.77Å; Y183-P195 WeakPolarHBondContact O-CG 3.23Å
184L94.9Very high90.8Very high1 Ų144.9 Ų44.91%0.00523%0.231CC..Hα-helixtrans-75.5-34.8-179.9-69.5169.7000113.3L135 L151 L180 S181 A182 P195 L211 Y214 E216L135-L184 HydrophobicContact CD2-CD2 4.1Å; L151-L184 HydrophobicContact CD1-CD2 4.47Å; L151-L184 HydrophobicContact CD2-CD2 3.82Å; L151-L184 HydrophobicContact CD2-CG 4.23Å; L180-L184 HydrophobicContact CD1-CD1 4.16Å; L180-L184 HydrophobicContact CD1-CG 4.48Å; L180-L184 HydrophobicContact CG-CD1 4.16Å; L180-L184 WeakPolarHBondContact O-CG 3.31Å; L180-L184 PolarHBondContact O-N 3.22Å; L180-L184 VanDerWaalsContact O-N 3.08Å; S181-L184 PolarHBondContact O-N 2.96Å; A182-L184 VanDerWaalsContact C-N 3.31Å; A182-L184 PolarHBondContact O-N 3.1Å; L184-P195 WeakPolarHBondContact O-CD 3.08Å; L184-L211 HydrophobicContact CD2-CD2 3.59Å; L184-Y214 HydrophobicContact CD1-CD1 4.37Å; L184-Y214 HydrophobicContact CD1-CG 4.12Å; L184-E216 HydrophobicContact CD1-CB 3.96Å
185N94.9Very high91.4Very high28 Ų2841.3 Ų41.315%0.1521%0.212CC..Hα-helixtrans-122.8-11.5-162.3-59.1-44000115.9S181 A182 P187 E216 N218S181-N185 VanDerWaalsContact O-CB 3.24Å; S181-N185 WeakPolarHBondContact O-CB 3.49Å; S181-N185 PolarHBondContact O-N 3.3Å; S181-N185 PolarHBondContact O-ND2 2.77Å; S181-N185 VanDerWaalsContact O-ND2 3.14Å; S181-N185 PolarHBondContact OG-ND2 2.76Å; A182-N185 PolarHBondContact O-N 2.85Å; N185-P187 WeakPolarHBondContact O-CD 3.3Å; N185-E216 PolarHBondContact ND2-O 3.11Å; N185-E216 PolarHBondContact OD1-O 3.3Å; N185-N218 WeakPolarHBondContact OD1-CB 3.42Å; N185-N218 PolarHBondContact OD1-N 3.11Å
186M92.1Very high92Very high53 Ų5340.9 Ų40.926%0.26121%0.208SC..PPolyproline II helixtrans-60126.2177.8-81.2-169.5-36.800109.7P123 N133 H136 A182P123-M186 HydrophobicContact CB-CE 3.56Å; P123-M186 HydrophobicContact CG-CE 3.43Å; P123-M186 VanDerWaalsContact CG-CE 3.43Å; P123-M186 HydrophobicContact CG-SD 4.23Å; N133-M186 HydrophobicContact CB-CE 4.47Å; H136-M186 PolarHBondContact CE1-O 2.94Å; H136-M186 PolarHBondContact NE2-O 2.81Å; A182-M186 HydrophobicContact CB-CG 3.93Å; A182-M186 HydrophobicContact CB-SD 4.04Å; A182-M186 WeakPolarHBondContact O-CB 3.47Å; A182-M186 WeakPolarHBondContact O-CG 3.49Å; A182-M186 PolarHBondContact O-N 2.94Å
187P92.1Very high92.3Very high55 Ų5540 Ų4036%0.35721%0.205SC..PPolyproline II helixtrans-78.7149.1174.131.3-33.1000110.7N185 N192N185-P187 WeakPolarHBondContact O-CD 3.3Å; P187-N192 HydrophobicContact CB-CB 4.48Å; P187-N192 WeakPolarHBondContact CB-OD1 3.15Å; P187-N192 WeakPolarHBondContact CG-OD1 3.48Å
188D91Very high92.6Very high2 Ų234.3 Ų34.31%0.01118%0.184CC..PPolyproline II helixtrans-69155.7169.392.1-80.4000111.8C130 Y132 M190 L191 N192 A193 F198C130-D188 WeakPolarHBondContact O-CB 3.3Å; Y132-D188 HydrophobicContact CD1-CB 3.81Å; Y132-D188 HydrophobicContact CE1-CB 3.47Å; Y132-D188 VanDerWaalsContact CE1-CB 3.47Å; D188-M190 VanDerWaalsContact C-N 3.32Å; D188-M190 PolarHBondContact O-N 3.15Å; D188-M190 WeakPolarHBondContact OD2-CA 3.49Å; D188-M190 WeakPolarHBondContact OD2-CB 3.33Å; D188-M190 PolarHBondContact OD2-N 2.85Å; D188-L191 WeakPolarHBondContact OD1-CA 3.3Å; D188-L191 WeakPolarHBondContact OD1-CB 3.5Å; D188-L191 PolarHBondContact OD1-N 3.29Å; D188-L191 PolarHBondContact OD2-N 3.01Å; D188-N192 VanDerWaalsContact O-CA 3.23Å; D188-N192 WeakPolarHBondContact O-CA 3.48Å; D188-N192 PolarHBondContact O-N 3.12Å; D188-N192 VanDerWaalsContact O-N 3.12Å; D188-N192 PolarHBondContact OD1-N 3.27Å; D188-A193 PolarHBondContact N-O 2.59Å; D188-A193 WeakPolarHBondContact OD1-CA 3.07Å; D188-A193 VanDerWaalsContact OD1-CB 3.3Å; D188-A193 WeakPolarHBondContact OD1-CB 3.23Å; D188-A193 PolarHBondContact OD1-N 2.9Å; D188-F198 HydrophobicContact CB-CE2 4.41Å
189K88.4Confident93Very high160 Ų16030 Ų3070%0.69616%0.157SC*.THydrogen-bonded Turntrans-67.5-30.5-174.8-175.3177.4177.9-175.80113.7C130 R131C130-K189 PolarHBondContact O-N 2.93Å; R131-K189 HydrophobicContact CB-CB 4.31Å; R131-K189 HydrophobicContact CG-CB 3.91Å; R131-K189 HydrophobicContact CG-CD 4.24Å
190M85.7Confident93.2Very high129 Ų12930 Ų3064%0.63516%0.157SC*.THydrogen-bonded Turntrans-92.9-50.3-168.6-65.8-66.2-67.800111.8D188D188-M190 VanDerWaalsContact C-N 3.32Å; D188-M190 PolarHBondContact O-N 3.15Å; D188-M190 WeakPolarHBondContact OD2-CA 3.49Å; D188-M190 WeakPolarHBondContact OD2-CB 3.33Å; D188-M190 PolarHBondContact OD2-N 2.85Å
191L87.5Confident93.3Very high55 Ų5531.8 Ų31.829%0.28817%0.165SC..THydrogen-bonded Turntrans-99.6-5.2-176.3-62.1174.5000113D188 A193 F198 S223 C224D188-L191 WeakPolarHBondContact OD1-CA 3.3Å; D188-L191 WeakPolarHBondContact OD1-CB 3.5Å; D188-L191 PolarHBondContact OD1-N 3.29Å; D188-L191 PolarHBondContact OD2-N 3.01Å; L191-A193 HydrophobicContact CB-CB 3.9Å; L191-A193 PolarHBondContact O-N 3.04Å; L191-F198 HydrophobicContact CD1-CE1 4.36Å; L191-F198 HydrophobicContact CD1-CZ 4.38Å; L191-S223 CarbonylContact O-C 3.46Å; L191-S223 VanDerWaalsContact O-CA 3.23Å; L191-S223 WeakPolarHBondContact O-CA 3.28Å; L191-S223 VanDerWaalsContact O-CB 3.24Å; L191-S223 WeakPolarHBondContact O-CB 2.98Å; L191-C224 PolarHBondContact O-N 2.99Å
192N91.9Very high93.4Very high55 Ų5532.7 Ų32.729%0.29416%0.163SC..  trans53.630.5-168.7-159.350.2000112.2P187 D188 Q221 P222 C224P187-N192 HydrophobicContact CB-CB 4.48Å; P187-N192 WeakPolarHBondContact CB-OD1 3.15Å; P187-N192 WeakPolarHBondContact CG-OD1 3.48Å; D188-N192 VanDerWaalsContact O-CA 3.23Å; D188-N192 WeakPolarHBondContact O-CA 3.48Å; D188-N192 PolarHBondContact O-N 3.12Å; D188-N192 VanDerWaalsContact O-N 3.12Å; D188-N192 PolarHBondContact OD1-N 3.27Å; N192-Q221 PolarHBondContact ND2-NE2 2.74Å; N192-P222 PolarHBondContact ND2-O 2.53Å; N192-C224 HydrophobicContact CB-CB 4.36Å
193A92.4Very high93.4Very high1 Ų132.4 Ų32.41%0.00816%0.162CC..  trans-97.6136.3-173.400000110.8H136 D188 L191 Y197 F198H136-A193 PolarHBondContact NE2-O 2.63Å; D188-A193 PolarHBondContact N-O 2.59Å; D188-A193 WeakPolarHBondContact OD1-CA 3.07Å; D188-A193 VanDerWaalsContact OD1-CB 3.3Å; D188-A193 WeakPolarHBondContact OD1-CB 3.23Å; D188-A193 PolarHBondContact OD1-N 2.9Å; L191-A193 HydrophobicContact CB-CB 3.9Å; L191-A193 PolarHBondContact O-N 3.04Å; A193-Y197 HydrophobicContact CB-CD1 3.46Å; A193-Y197 VanDerWaalsContact CB-CD1 3.46Å; A193-Y197 HydrophobicContact CB-CE1 4.01Å; A193-Y197 HydrophobicContact CB-CG 3.78Å; A193-F198 HydrophobicContact CB-CD2 4.35Å; A193-F198 HydrophobicContact CB-CE1 4.48Å; A193-F198 HydrophobicContact CB-CE2 3.69Å; A193-F198 HydrophobicContact CB-CZ 3.78Å
194T95.6Very high93.4Very high5 Ų534 Ų343%0.03117%0.171CC..  trans-87168177.261.70000111.5L196 Y197 F198 Q221T194-L196 PolarHBondContact O-N 3.29Å; T194-Y197 VanDerWaalsContact O-CB 3.31Å; T194-Y197 WeakPolarHBondContact O-CB 2.89Å; T194-Y197 PolarHBondContact O-N 3.04Å; T194-Y197 PolarHBondContact OG1-N 2.77Å; T194-F198 VanDerWaalsContact O-CD2 3.28Å; T194-F198 WeakPolarHBondContact O-CD2 3.49Å; T194-F198 PolarHBondContact O-N 2.78Å; T194-F198 VanDerWaalsContact O-N 3.08Å; T194-Q221 HydrophobicContact CG2-CB 3.71Å; T194-Q221 HydrophobicContact CG2-CG 3.51Å
195P97.3Very high93.3Very high0 Ų036 Ų360%018%0.182CC..Hα-helixtrans-54.2-38170-26.636.1000112.9L135 H136 A139 Y183 L184 Y197 F198 A199 L211L135-P195 HydrophobicContact CB-CB 4.04Å; L135-P195 HydrophobicContact CB-CG 3.9Å; H136-P195 WeakPolarHBondContact NE2-CD 3.35Å; A139-P195 HydrophobicContact CB-CB 4.2Å; A139-P195 VanDerWaalsContact CB-O 3.29Å; A139-P195 WeakPolarHBondContact CB-O 3.36Å; Y183-P195 WeakPolarHBondContact O-CG 3.23Å; L184-P195 WeakPolarHBondContact O-CD 3.08Å; P195-Y197 VanDerWaalsContact C-N 3.34Å; P195-Y197 PolarHBondContact O-N 3.49Å; P195-F198 PolarHBondContact O-N 3.46Å; P195-A199 WeakPolarHBondContact O-CB 3.5Å; P195-A199 PolarHBondContact O-N 2.8Å; P195-L211 HydrophobicContact CB-CD1 4.16Å
196L96.8Very high93.4Very high1 Ų141.7 Ų41.71%0.00520%0.202CC..Hα-helixtrans-62.4-41.1175.6-179.764.2000111.9T194 A199 T200 V208 L211 T212 K219 A229 V252T194-L196 PolarHBondContact O-N 3.29Å; L196-A199 PolarHBondContact O-N 3.03Å; L196-T200 VanDerWaalsContact O-CB 3.28Å; L196-T200 WeakPolarHBondContact O-CB 3.19Å; L196-T200 PolarHBondContact O-N 3.3Å; L196-T200 PolarHBondContact O-OG1 2.78Å; L196-V208 HydrophobicContact CD1-CG1 4.17Å; L196-L211 HydrophobicContact CB-CD1 4.21Å; L196-L211 HydrophobicContact CD1-CB 4.22Å; L196-L211 HydrophobicContact CD1-CD1 4.37Å; L196-T212 HydrophobicContact CD1-CG2 3.73Å; L196-T212 HydrophobicContact CD2-CG2 4.23Å; L196-K219 HydrophobicContact CD2-CB 4.23Å; L196-K219 HydrophobicContact CD2-CG 3.94Å; L196-A229 HydrophobicContact CG-CB 4.27Å; L196-V252 HydrophobicContact CD1-CG1 3.84Å; L196-V252 HydrophobicContact CD2-CG1 4.42Å; L196-V252 HydrophobicContact CG-CG1 4.25Å
197Y95.6Very high93.7Very high8 Ų839.3 Ų39.33%0.03119%0.19CC..Hα-helixtrans-59.7-47.1175-174.3-81.3000111.1A193 T194 P195 T200 K201 V232A193-Y197 HydrophobicContact CB-CD1 3.46Å; A193-Y197 VanDerWaalsContact CB-CD1 3.46Å; A193-Y197 HydrophobicContact CB-CE1 4.01Å; A193-Y197 HydrophobicContact CB-CG 3.78Å; T194-Y197 VanDerWaalsContact O-CB 3.31Å; T194-Y197 WeakPolarHBondContact O-CB 2.89Å; T194-Y197 PolarHBondContact O-N 3.04Å; T194-Y197 PolarHBondContact OG1-N 2.77Å; P195-Y197 VanDerWaalsContact C-N 3.34Å; P195-Y197 PolarHBondContact O-N 3.49Å; Y197-T200 PolarHBondContact O-N 3.08Å; Y197-K201 HydrophobicContact CE1-CD 3.97Å; Y197-K201 VanDerWaalsContact O-CB 3.26Å; Y197-K201 WeakPolarHBondContact O-CB 3.26Å; Y197-K201 PolarHBondContact O-N 3.16Å; Y197-V232 HydrophobicContact CD1-CG2 4.39Å; Y197-V232 HydrophobicContact CD2-CG2 3.98Å; Y197-V232 HydrophobicContact CE1-CG2 4.1Å; Y197-V232 HydrophobicContact CE2-CG1 4.08Å; Y197-V232 HydrophobicContact CE2-CG2 3.65Å; Y197-V232 HydrophobicContact CG-CG2 4.35Å; Y197-V232 WeakPolarHBondContact OH-CG1 3.08Å
198F95.8Very high93.9Very high7 Ų736.7 Ų36.73%0.03117%0.173CC..Hα-helixtrans-63.5-48.6177.2-72.9-64.3000112.3Y132 H136 A139 R140 D188 L191 A193 T194 P195 T200 K201 F202Y132-F198 AromaticContact CE1-CE2 3.85Å; Y132-F198 HydrophobicContact CE1-CE2 3.85Å; Y132-F198 AromaticContact CE1-CZ 3.82Å; Y132-F198 HydrophobicContact CE1-CZ 3.82Å; Y132-F198 AromaticContact CZ-CZ 3.88Å; Y132-F198 WeakPolarHBondContact OH-CZ 3.35Å; H136-F198 AromaticContact CD2-CD2 3.77Å; H136-F198 AromaticContact CD2-CE2 3.69Å; A139-F198 HydrophobicContact CB-CB 4.25Å; R140-F198 HydrophobicContact CB-CB 4.49Å; D188-F198 HydrophobicContact CB-CE2 4.41Å; L191-F198 HydrophobicContact CD1-CE1 4.36Å; L191-F198 HydrophobicContact CD1-CZ 4.38Å; A193-F198 HydrophobicContact CB-CD2 4.35Å; A193-F198 HydrophobicContact CB-CE1 4.48Å; A193-F198 HydrophobicContact CB-CE2 3.69Å; A193-F198 HydrophobicContact CB-CZ 3.78Å; T194-F198 VanDerWaalsContact O-CD2 3.28Å; T194-F198 WeakPolarHBondContact O-CD2 3.49Å; T194-F198 PolarHBondContact O-N 2.78Å; T194-F198 VanDerWaalsContact O-N 3.08Å; P195-F198 PolarHBondContact O-N 3.46Å; F198-T200 PolarHBondContact O-N 3.18Å; F198-K201 PolarHBondContact O-N 2.78Å; F198-F202 HydrophobicContact CD1-CE2 4.02Å; F198-F202 VanDerWaalsContact O-CD2 3.28Å; F198-F202 WeakPolarHBondContact O-CD2 3.3Å; F198-F202 PolarHBondContact O-N 2.85Å
199A96.8Very high94Very high0 Ų041 Ų410%019%0.194CC..Hα-helixtrans-55.5-40177.400000111.6A139 P195 L196 G203 N204 I207 V208 L211A139-A199 HydrophobicContact CB-CB 4.06Å; P195-A199 WeakPolarHBondContact O-CB 3.5Å; P195-A199 PolarHBondContact O-N 2.8Å; L196-A199 PolarHBondContact O-N 3.03Å; A199-G203 PolarHBondContact O-N 3.36Å; A199-G203 VanDerWaalsContact O-N 3.14Å; A199-N204 HydrophobicContact CB-CB 4.46Å; A199-N204 PolarHBondContact O-N 3.13Å; A199-I207 HydrophobicContact CB-CB 4.06Å; A199-I207 HydrophobicContact CB-CG2 3.68Å; A199-V208 HydrophobicContact CB-CG2 3.76Å; A199-L211 HydrophobicContact CB-CD1 4.25Å
200T95.7Very high94.4Very high0 Ų034.3 Ų34.30%017%0.165CC..Hα-helixtrans-71-46.3178.5-58.10000112.6L196 Y197 F198 F202 G203 A229 V233 C234 I248 V252L196-T200 VanDerWaalsContact O-CB 3.28Å; L196-T200 WeakPolarHBondContact O-CB 3.19Å; L196-T200 PolarHBondContact O-N 3.3Å; L196-T200 PolarHBondContact O-OG1 2.78Å; Y197-T200 PolarHBondContact O-N 3.08Å; F198-T200 PolarHBondContact O-N 3.18Å; T200-F202 VanDerWaalsContact C-N 3.3Å; T200-F202 PolarHBondContact O-N 2.97Å; T200-G203 PolarHBondContact O-N 3.07Å; T200-A229 HydrophobicContact CG2-CB 4.36Å; T200-A229 WeakPolarHBondContact CG2-O 3.41Å; T200-V233 HydrophobicContact CG2-CB 4.26Å; T200-V233 HydrophobicContact CG2-CG2 3.7Å; T200-C234 PolarHBondContact O-N 3.43Å; T200-I248 HydrophobicContact CG2-CG2 3.72Å; T200-V252 HydrophobicContact CG2-CG1 4.37Å; T200-V252 HydrophobicContact CG2-CG2 4.05Å; T200-V252 VanDerWaalsContact OG1-CG1 3.32Å; T200-V252 WeakPolarHBondContact OG1-CG1 3.45Å
201K94.5Very high94.9Very high42 Ų4228.2 Ų28.218%0.18314%0.135CC..Hα-helixtrans-58.9-39.9179.2177.8165.5-179.7155.50113Y197 F198 V232 C234 E235 S236Y197-K201 HydrophobicContact CE1-CD 3.97Å; Y197-K201 VanDerWaalsContact O-CB 3.26Å; Y197-K201 WeakPolarHBondContact O-CB 3.26Å; Y197-K201 PolarHBondContact O-N 3.16Å; F198-K201 PolarHBondContact O-N 2.78Å; K201-V232 VanDerWaalsContact CA-O 3.29Å; K201-V232 WeakPolarHBondContact CA-O 3.48Å; K201-V232 HydrophobicContact CB-CB 4.5Å; K201-V232 HydrophobicContact CB-CG2 4.11Å; K201-C234 CarbonylContact O-C 3.48Å; K201-C234 WeakPolarHBondContact O-CA 3.28Å; K201-E235 WeakPolarHBondContact CE-OE2 3.5Å; K201-E235 HydrophobicContact CG-CB 4.43Å; K201-E235 IonicContact NZ-OE2 3.92Å; K201-E235 PolarHBondContact NZ-OE2 3.41Å; K201-E235 PolarHBondContact O-N 3.36Å; K201-S236 WeakPolarHBondContact CE-OG 3.12Å; K201-S236 VanDerWaalsContact CG-OG 3.3Å; K201-S236 WeakPolarHBondContact CG-OG 3.47Å; K201-S236 PolarHBondContact O-N 3.34Å
202F94.2Very high95.1Very high65 Ų6526.3 Ų26.329%0.28513%0.126SC..Hα-helixtrans-90.2-6.8-179.5-71.4-79.1000114R140 F198 T200R140-F202 HydrophobicContact CG-CD2 4.13Å; R140-F202 HydrophobicContact CG-CE2 3.66Å; R140-F202 HydrophobicContact CG-CZ 4.04Å; F198-F202 HydrophobicContact CD1-CE2 4.02Å; F198-F202 VanDerWaalsContact O-CD2 3.28Å; F198-F202 WeakPolarHBondContact O-CD2 3.3Å; F198-F202 PolarHBondContact O-N 2.85Å; T200-F202 VanDerWaalsContact C-N 3.3Å; T200-F202 PolarHBondContact O-N 2.97Å
203G93.2Very high95Very high12 Ų1227.8 Ų27.812%0.12414%0.141CC..THydrogen-bonded Turntrans82.425.4174.600000114.9A199 T200 V205 C234A199-G203 PolarHBondContact O-N 3.36Å; A199-G203 VanDerWaalsContact O-N 3.14Å; T200-G203 PolarHBondContact O-N 3.07Å; G203-V205 PolarHBondContact O-N 2.75Å; G203-C234 WeakPolarHBondContact CA-SG 3.37Å
204N95Very high95Very high36 Ų3630.2 Ų30.219%0.19315%0.15CC..  trans-82.776.9-177.1-66-41.2000111.4A139 G142 A199 R206 I207 V208A139-N204 PolarHBondContact O-ND2 3.01Å; G142-N204 VanDerWaalsContact CA-CG 3.47Å; G142-N204 WeakPolarHBondContact CA-ND2 3.47Å; G142-N204 WeakPolarHBondContact CA-OD1 3.44Å; G142-N204 PolarHBondContact N-ND2 3.27Å; A199-N204 HydrophobicContact CB-CB 4.46Å; A199-N204 PolarHBondContact O-N 3.13Å; N204-R206 VanDerWaalsContact C-N 3.34Å; N204-R206 PolarHBondContact O-N 2.81Å; N204-I207 HydrophobicContact CB-CB 4.12Å; N204-I207 HydrophobicContact CB-CD1 4.05Å; N204-I207 HydrophobicContact CB-CG1 4.22Å; N204-I207 PolarHBondContact O-N 2.88Å; N204-V208 WeakPolarHBondContact O-CG2 3.45Å; N204-V208 PolarHBondContact O-N 2.91Å
205V93.2Very high94.5Very high41 Ų4139.1 Ų39.125%0.24819%0.188CC..Hα-helixtrans-54-42.7-172.666.60000114.3G203 I207 V208 Q209 I244 A247 I248 Y251G203-V205 PolarHBondContact O-N 2.75Å; V205-I207 VanDerWaalsContact C-N 3.33Å; V205-I207 PolarHBondContact O-N 3.31Å; V205-V208 PolarHBondContact O-N 2.84Å; V205-Q209 WeakPolarHBondContact O-CB 3.23Å; V205-Q209 PolarHBondContact O-N 3.26Å; V205-I244 HydrophobicContact CB-CG2 4.22Å; V205-A247 HydrophobicContact CG2-CB 4Å; V205-I248 HydrophobicContact CB-CD1 4.24Å; V205-I248 HydrophobicContact CB-CG1 3.97Å; V205-I248 HydrophobicContact CG2-CG1 3.99Å; V205-Y251 HydrophobicContact CG2-CE2 4.48Å
206R96.4Very high94.1Very high148 Ų14842.1 Ų42.156%0.55820%0.202SC*.Hα-helixtrans-65.9-36.5-179.7-65.3-170.469.5-177.2-1.7112.1Y144 N204 L210Y144-R206 HydrophobicContact CD2-CB 3.55Å; Y144-R206 HydrophobicContact CE2-CB 3.93Å; Y144-R206 HydrophobicContact CG-CB 4.31Å; N204-R206 VanDerWaalsContact C-N 3.34Å; N204-R206 PolarHBondContact O-N 2.81Å; R206-L210 VanDerWaalsContact O-CB 3.32Å; R206-L210 WeakPolarHBondContact O-CB 3.33Å; R206-L210 PolarHBondContact O-N 2.88Å
207I97.9Very high93.8Very high3 Ų342.7 Ų42.72%0.01521%0.206CC..Hα-helixtrans-71.9-41.2176.4-59.4-179.1000110.1A139 Y144 A199 N204 V205 Q209 L210 L211A139-I207 HydrophobicContact CB-CG2 4.24Å; Y144-I207 HydrophobicContact CD2-CG1 4.3Å; A199-I207 HydrophobicContact CB-CB 4.06Å; A199-I207 HydrophobicContact CB-CG2 3.68Å; N204-I207 HydrophobicContact CB-CB 4.12Å; N204-I207 HydrophobicContact CB-CD1 4.05Å; N204-I207 HydrophobicContact CB-CG1 4.22Å; N204-I207 PolarHBondContact O-N 2.88Å; V205-I207 VanDerWaalsContact C-N 3.33Å; V205-I207 PolarHBondContact O-N 3.31Å; I207-Q209 VanDerWaalsContact C-N 3.33Å; I207-Q209 PolarHBondContact O-N 3.41Å; I207-L210 PolarHBondContact O-N 3.28Å; I207-L211 HydrophobicContact CG2-CD1 3.8Å; I207-L211 HydrophobicContact CG2-CG 4.03Å; I207-L211 WeakPolarHBondContact O-CB 3.41Å; I207-L211 VanDerWaalsContact O-CG 3.27Å; I207-L211 WeakPolarHBondContact O-CG 3.49Å; I207-L211 PolarHBondContact O-N 3.43Å
208V96.1Very high93.5Very high0 Ų045.3 Ų45.30%022%0.22CC..Hα-helixtrans-58.7-47.7174.2173.50000110.5L196 A199 N204 V205 L210 L211 T212 I248 Y251 V252L196-V208 HydrophobicContact CD1-CG1 4.17Å; A199-V208 HydrophobicContact CB-CG2 3.76Å; N204-V208 WeakPolarHBondContact O-CG2 3.45Å; N204-V208 PolarHBondContact O-N 2.91Å; V205-V208 PolarHBondContact O-N 2.84Å; V208-L210 PolarHBondContact O-N 2.93Å; V208-L211 PolarHBondContact O-N 3.36Å; V208-T212 HydrophobicContact CG1-CG2 4.34Å; V208-T212 WeakPolarHBondContact O-CB 3.47Å; V208-T212 VanDerWaalsContact O-CG2 3.31Å; V208-T212 WeakPolarHBondContact O-CG2 3.39Å; V208-T212 PolarHBondContact O-N 2.98Å; V208-T212 PolarHBondContact O-OG1 3.43Å; V208-I248 HydrophobicContact CG1-CG2 4.3Å; V208-I248 HydrophobicContact CG2-CG1 4.48Å; V208-I248 HydrophobicContact CG2-CG2 4.23Å; V208-Y251 HydrophobicContact CG1-CD2 4.37Å; V208-Y251 HydrophobicContact CG1-CG 4.26Å; V208-V252 HydrophobicContact CG1-CG1 3.53Å
209Q94.4Very high93.1Very high94 Ų9447.3 Ų47.344%0.43923%0.229SC..Hα-helixtrans-57.8-47.7176.1179.11788.200111.3V205 I207 T212 S213 Y251V205-Q209 WeakPolarHBondContact O-CB 3.23Å; V205-Q209 PolarHBondContact O-N 3.26Å; I207-Q209 VanDerWaalsContact C-N 3.33Å; I207-Q209 PolarHBondContact O-N 3.41Å; Q209-T212 PolarHBondContact O-OG1 2.85Å; Q209-S213 PolarHBondContact O-N 3.45Å; Q209-S213 VanDerWaalsContact O-N 3.08Å; Q209-Y251 HydrophobicContact CB-CD2 4.41Å; Q209-Y251 HydrophobicContact CB-CE1 4.15Å; Q209-Y251 HydrophobicContact CB-CE2 3.94Å; Q209-Y251 VanDerWaalsContact CD-OH 3.3Å; Q209-Y251 HydrophobicContact CG-CE1 3.86Å; Q209-Y251 HydrophobicContact CG-CE2 4.28Å; Q209-Y251 PolarHBondContact NE2-OH 3.36Å
210L96.3Very high92.6Very high18 Ų1851.4 Ų51.49%0.09425%0.245CC..Hα-helixtrans-62.9-47.7178.9176.966.1000112.4Y144 C147 E148 L151 R206 I207 V208 T212 S213 Y214Y144-L210 HydrophobicContact CD2-CD2 4.32Å; Y144-L210 HydrophobicContact CE2-CB 4.06Å; Y144-L210 HydrophobicContact CE2-CD2 3.94Å; C147-L210 HydrophobicContact CB-CD2 3.77Å; E148-L210 HydrophobicContact CB-CD2 4Å; L151-L210 HydrophobicContact CD1-CD2 4.07Å; L151-L210 HydrophobicContact CD1-CG 4.03Å; R206-L210 VanDerWaalsContact O-CB 3.32Å; R206-L210 WeakPolarHBondContact O-CB 3.33Å; R206-L210 PolarHBondContact O-N 2.88Å; I207-L210 PolarHBondContact O-N 3.28Å; V208-L210 PolarHBondContact O-N 2.93Å; L210-T212 PolarHBondContact O-N 3.39Å; L210-S213 PolarHBondContact O-N 2.8Å; L210-S213 PolarHBondContact O-OG 2.85Å; L210-Y214 HydrophobicContact CD1-CE2 4.1Å; L210-Y214 WeakPolarHBondContact O-CD2 3.46Å; L210-Y214 WeakPolarHBondContact O-CE2 3.29Å
211L96.5Very high92.2Very high1 Ų153.8 Ų53.81%0.00526%0.256CS..Hα-helixtrans-64.9-43.2-179.5-67.1175.9000110.9L135 L151 L184 P195 L196 A199 I207 V208 S213 Y214 C217L135-L211 HydrophobicContact CD2-CD2 3.87Å; L151-L211 HydrophobicContact CD1-CD2 4.21Å; L184-L211 HydrophobicContact CD2-CD2 3.59Å; P195-L211 HydrophobicContact CB-CD1 4.16Å; L196-L211 HydrophobicContact CB-CD1 4.21Å; L196-L211 HydrophobicContact CD1-CB 4.22Å; L196-L211 HydrophobicContact CD1-CD1 4.37Å; A199-L211 HydrophobicContact CB-CD1 4.25Å; I207-L211 HydrophobicContact CG2-CD1 3.8Å; I207-L211 HydrophobicContact CG2-CG 4.03Å; I207-L211 WeakPolarHBondContact O-CB 3.41Å; I207-L211 VanDerWaalsContact O-CG 3.27Å; I207-L211 WeakPolarHBondContact O-CG 3.49Å; I207-L211 PolarHBondContact O-N 3.43Å; V208-L211 PolarHBondContact O-N 3.36Å; L211-S213 PolarHBondContact O-N 3.47Å; L211-Y214 PolarHBondContact O-N 3.3Å; L211-C217 WeakPolarHBondContact O-CB 3.49Å
212T91.5Very high91.9Very high16 Ų1654.2 Ų54.210%0.09826%0.263CS..Hα-helixtrans-74.4-9.1-179.158.50000114.2L196 V208 Q209 L210 Y214 K219L196-T212 HydrophobicContact CD1-CG2 3.73Å; L196-T212 HydrophobicContact CD2-CG2 4.23Å; V208-T212 HydrophobicContact CG1-CG2 4.34Å; V208-T212 WeakPolarHBondContact O-CB 3.47Å; V208-T212 VanDerWaalsContact O-CG2 3.31Å; V208-T212 WeakPolarHBondContact O-CG2 3.39Å; V208-T212 PolarHBondContact O-N 2.98Å; V208-T212 PolarHBondContact O-OG1 3.43Å; Q209-T212 PolarHBondContact O-OG1 2.85Å; L210-T212 PolarHBondContact O-N 3.39Å; T212-Y214 VanDerWaalsContact C-N 3.28Å; T212-K219 HydrophobicContact CG2-CD 4.39Å; T212-K219 HydrophobicContact CG2-CG 4.49Å
213S90.2Very high91.7Very high86 Ų8651.4 Ų51.460%0.60125%0.251SS*.THydrogen-bonded Turntrans-77.8-12.4170.571.70000113.3Q209 L210 L211Q209-S213 PolarHBondContact O-N 3.45Å; Q209-S213 VanDerWaalsContact O-N 3.08Å; L210-S213 PolarHBondContact O-N 2.8Å; L210-S213 PolarHBondContact O-OG 2.85Å; L211-S213 PolarHBondContact O-N 3.47Å
214Y91.1Very high91.5Very high51 Ų5154.3 Ų54.320%0.227%0.269CS..SBendtrans-89.3124.9173-70-99.2000109.7L151 L180 L184 L210 L211 T212 E216 C217L151-Y214 HydrophobicContact CB-CE2 4.36Å; L151-Y214 WeakPolarHBondContact CB-OH 3.11Å; L151-Y214 HydrophobicContact CD1-CD2 4.31Å; L151-Y214 HydrophobicContact CD1-CE2 3.7Å; L151-Y214 HydrophobicContact CG-CE2 4.44Å; L180-Y214 HydrophobicContact CD1-CE1 4.46Å; L180-Y214 HydrophobicContact CD2-CD1 4.37Å; L184-Y214 HydrophobicContact CD1-CD1 4.37Å; L184-Y214 HydrophobicContact CD1-CG 4.12Å; L210-Y214 HydrophobicContact CD1-CE2 4.1Å; L210-Y214 WeakPolarHBondContact O-CD2 3.46Å; L210-Y214 WeakPolarHBondContact O-CE2 3.29Å; L211-Y214 PolarHBondContact O-N 3.3Å; T212-Y214 VanDerWaalsContact C-N 3.28Å; Y214-E216 PolarHBondContact O-N 2.73Å; Y214-E216 VanDerWaalsContact O-N 3.17Å; Y214-C217 VanDerWaalsContact O-CB 3.28Å; Y214-C217 WeakPolarHBondContact O-CB 3.44Å; Y214-C217 PolarHBondContact O-N 3.22Å
215K85.3Confident91.2Very high192 Ų19259 Ų5984%0.83529%0.29SS*.THydrogen-bonded Turntrans-59-26.9177.263.4-179179.7-177.20112.7C217K215-C217 VanDerWaalsContact C-N 3.28Å; K215-C217 PolarHBondContact O-N 2.97Å
216E88.8Confident90.9Very high63 Ų6359.7 Ų59.729%0.29430%0.304SS..THydrogen-bonded Turntrans-74.3-16.2178.2-60.180.8-177.400112.4L184 N185 Y214 N218L184-E216 HydrophobicContact CD1-CB 3.96Å; N185-E216 PolarHBondContact ND2-O 3.11Å; N185-E216 PolarHBondContact OD1-O 3.3Å; Y214-E216 PolarHBondContact O-N 2.73Å; Y214-E216 VanDerWaalsContact O-N 3.17Å; E216-N218 PolarHBondContact O-N 3.49Å
217C92.5Very high90.5Very high13 Ų1355.7 Ų55.79%0.08829%0.294CS..  trans-72.3117.4-175.6-173.70000112.5L211 Y214 K215 K219L211-C217 WeakPolarHBondContact O-CB 3.49Å; Y214-C217 VanDerWaalsContact O-CB 3.28Å; Y214-C217 WeakPolarHBondContact O-CB 3.44Å; Y214-C217 PolarHBondContact O-N 3.22Å; K215-C217 VanDerWaalsContact C-N 3.28Å; K215-C217 PolarHBondContact O-N 2.97Å; C217-K219 PolarHBondContact O-N 3Å
218N89Confident90Very high63 Ų6357.2 Ų57.234%0.33730%0.302SS..  trans-85.2106.5-179.4-174.8-0.2000112N185 E216 R220N185-N218 WeakPolarHBondContact OD1-CB 3.42Å; N185-N218 PolarHBondContact OD1-N 3.11Å; E216-N218 PolarHBondContact O-N 3.49Å; N218-R220 VanDerWaalsContact C-N 3.3Å; N218-R220 PolarHBondContact O-N 3.05Å; N218-R220 WeakPolarHBondContact OD1-CA 3.35Å; N218-R220 WeakPolarHBondContact OD1-CB 3.4Å; N218-R220 PolarHBondContact OD1-N 2.94Å
219K87Confident89.8Confident50 Ų5057.3 Ų57.322%0.21730%0.303CS..THydrogen-bonded Turntrans-77.4-11.4176-53.6-178.5-172-1750114.2L196 T212 C217 Y251L196-K219 HydrophobicContact CD2-CB 4.23Å; L196-K219 HydrophobicContact CD2-CG 3.94Å; T212-K219 HydrophobicContact CG2-CD 4.39Å; T212-K219 HydrophobicContact CG2-CG 4.49Å; C217-K219 PolarHBondContact O-N 3Å; K219-Y251 WeakPolarHBondContact CE-O 3.43Å; K219-Y251 PolarHBondContact NZ-O 3.35Å
220R85.5Confident89.5Confident86 Ų8654.1 Ų54.133%0.32529%0.293SS..THydrogen-bonded Turntrans-104.13.7-171-62.2-65.7107178.8-0.8113.8N218 P222 L228 V252 G253N218-R220 VanDerWaalsContact C-N 3.3Å; N218-R220 PolarHBondContact O-N 3.05Å; N218-R220 WeakPolarHBondContact OD1-CA 3.35Å; N218-R220 WeakPolarHBondContact OD1-CB 3.4Å; N218-R220 PolarHBondContact OD1-N 2.94Å; R220-P222 WeakPolarHBondContact O-CD 3.28Å; R220-L228 WeakPolarHBondContact O-CD2 3.49Å; R220-V252 PolarHBondContact NH2-O 2.91Å; R220-G253 VanDerWaalsContact NH2-C 3.33Å; R220-G253 PolarHBondContact NH2-O 3.44Å
221Q88.8Confident89.1Confident50 Ų5058.1 Ų58.123%0.23431%0.314CS..  trans-67.7115.2177.1-177.258.940.300110.3N192 T194N192-Q221 PolarHBondContact ND2-NE2 2.74Å; T194-Q221 HydrophobicContact CG2-CB 3.71Å; T194-Q221 HydrophobicContact CG2-CG 3.51Å
222P87.8Confident88.8Confident51 Ų5158.2 Ų58.233%0.33131%0.314SS..  trans-80.1144.3176.333.1-33.4000110.9N192 R220 L228N192-P222 PolarHBondContact ND2-O 2.53Å; R220-P222 WeakPolarHBondContact O-CD 3.28Å; P222-L228 HydrophobicContact CB-CD2 4.21Å
223S89.7Confident88.8Confident5 Ų558.6 Ų58.64%0.03532%0.317CS..  trans-66.4174165.162.60000111.6L191 H225 G226 L227L191-S223 CarbonylContact O-C 3.46Å; L191-S223 VanDerWaalsContact O-CA 3.23Å; L191-S223 WeakPolarHBondContact O-CA 3.28Å; L191-S223 VanDerWaalsContact O-CB 3.24Å; L191-S223 WeakPolarHBondContact O-CB 2.98Å; S223-H225 PolarHBondContact O-N 3.02Å; S223-H225 VanDerWaalsContact O-N 3.1Å; S223-G226 PolarHBondContact O-N 3.48Å; S223-L227 PolarHBondContact N-O 2.9Å; S223-L227 PolarHBondContact OG-N 3.46Å; S223-L227 PolarHBondContact OG-O 2.95Å; S223-L227 VanDerWaalsContact OG-O 3.08Å
224C89Confident88.9Confident74 Ų7454.7 Ų54.750%0.529%0.289SS..THydrogen-bonded Turntrans-59.7-20.5175.160.50000113.3L191 N192L191-C224 PolarHBondContact O-N 2.99Å; N192-C224 HydrophobicContact CB-CB 4.36Å
225H87.9Confident88.8Confident135 Ų13557.1 Ų57.163%0.62530%0.303SS*.THydrogen-bonded Turntrans-90.65.9174.6-52.3109.1000113.3S223 L227S223-H225 PolarHBondContact O-N 3.02Å; S223-H225 VanDerWaalsContact O-N 3.1Å; H225-L227 HydrophobicContact CB-CD1 4.32Å; H225-L227 HydrophobicContact CB-CG 4.24Å; H225-L227 PolarHBondContact O-N 2.79Å
226G86.6Confident89.1Confident54 Ų5450.7 Ų50.756%0.55728%0.282SS*.SBendtrans75.75.4-176.600000114.6S223S223-G226 PolarHBondContact O-N 3.48Å
227L88Confident88.8Confident64 Ų6450.9 Ų50.934%0.33529%0.285SS..  trans-84.8133.1-179.3-60.4174.2000111.1S223 H225 N231 V232S223-L227 PolarHBondContact N-O 2.9Å; S223-L227 PolarHBondContact OG-N 3.46Å; S223-L227 PolarHBondContact OG-O 2.95Å; S223-L227 VanDerWaalsContact OG-O 3.08Å; H225-L227 HydrophobicContact CB-CD1 4.32Å; H225-L227 HydrophobicContact CB-CG 4.24Å; H225-L227 PolarHBondContact O-N 2.79Å; L227-N231 HydrophobicContact CB-CB 4.32Å; L227-N231 HydrophobicContact CD2-CB 4.11Å; L227-V232 HydrophobicContact CB-CG1 4.36Å; L227-V232 HydrophobicContact CD1-CG1 4.16Å
228L88.9Confident88.2Confident35 Ų3561 Ų6118%0.18332%0.321CS..  trans-83163.9170.5-58.2179.2000110.8R220 P222 A230 N231R220-L228 WeakPolarHBondContact O-CD2 3.49Å; P222-L228 HydrophobicContact CB-CD2 4.21Å; L228-A230 PolarHBondContact O-N 3.15Å; L228-N231 WeakPolarHBondContact CB-OD1 3.47Å; L228-N231 PolarHBondContact N-OD1 2.94Å; L228-N231 WeakPolarHBondContact O-CB 3.17Å; L228-N231 PolarHBondContact O-N 3.47Å
229A90.6Very high87.9Confident3 Ų365.5 Ų65.53%0.02535%0.345CS..G310 helixtrans-51.8-41171.800000111.5L196 T200 N231 V232 V252L196-A229 HydrophobicContact CG-CB 4.27Å; T200-A229 HydrophobicContact CG2-CB 4.36Å; T200-A229 WeakPolarHBondContact CG2-O 3.41Å; A229-N231 PolarHBondContact O-N 2.85Å; A229-N231 VanDerWaalsContact O-N 3.11Å; A229-V232 WeakPolarHBondContact O-CG2 3.37Å; A229-V232 PolarHBondContact O-N 2.87Å; A229-V232 VanDerWaalsContact O-N 3.11Å; A229-V252 HydrophobicContact CB-CB 4.42Å; A229-V252 HydrophobicContact CB-CG1 4.44Å
230A87.8Confident87.7Confident27 Ų2764 Ų6422%0.22334%0.34CS..G310 helixtrans-56.1-26.5175.700000114.8L228 V233 V252L228-A230 PolarHBondContact O-N 3.15Å; A230-V233 WeakPolarHBondContact O-CG2 3.44Å; A230-V252 HydrophobicContact CB-CG2 4.18Å; A230-V252 WeakPolarHBondContact CB-O 3.28Å
231N87.9Confident87.8Confident102 Ų10262.6 Ų62.655%0.54534%0.343SS..G310 helixtrans-84.9-17.3-178.2-57.7111000113.1L227 L228 A229L227-N231 HydrophobicContact CB-CB 4.32Å; L227-N231 HydrophobicContact CD2-CB 4.11Å; L228-N231 WeakPolarHBondContact CB-OD1 3.47Å; L228-N231 PolarHBondContact N-OD1 2.94Å; L228-N231 WeakPolarHBondContact O-CB 3.17Å; L228-N231 PolarHBondContact O-N 3.47Å; A229-N231 PolarHBondContact O-N 2.85Å; A229-N231 VanDerWaalsContact O-N 3.11Å
232V90.6Very high87.7Confident2 Ų269 Ų691%0.01237%0.366CS..SBendtrans-112.922-173.2-62.50000113.6Y197 K201 L227 A229 C234 E235Y197-V232 HydrophobicContact CD1-CG2 4.39Å; Y197-V232 HydrophobicContact CD2-CG2 3.98Å; Y197-V232 HydrophobicContact CE1-CG2 4.1Å; Y197-V232 HydrophobicContact CE2-CG1 4.08Å; Y197-V232 HydrophobicContact CE2-CG2 3.65Å; Y197-V232 HydrophobicContact CG-CG2 4.35Å; Y197-V232 WeakPolarHBondContact OH-CG1 3.08Å; K201-V232 VanDerWaalsContact CA-O 3.29Å; K201-V232 WeakPolarHBondContact CA-O 3.48Å; K201-V232 HydrophobicContact CB-CB 4.5Å; K201-V232 HydrophobicContact CB-CG2 4.11Å; L227-V232 HydrophobicContact CB-CG1 4.36Å; L227-V232 HydrophobicContact CD1-CG1 4.16Å; A229-V232 WeakPolarHBondContact O-CG2 3.37Å; A229-V232 PolarHBondContact O-N 2.87Å; A229-V232 VanDerWaalsContact O-N 3.11Å; V232-C234 PolarHBondContact O-N 3.21Å; V232-E235 HydrophobicContact CB-CB 4.24Å; V232-E235 WeakPolarHBondContact O-CB 3.48Å; V232-E235 PolarHBondContact O-N 3.35Å
233V91.7Very high87.6Confident25 Ų2575 Ų7515%0.15239%0.386CS..THydrogen-bonded Turntrans-55.3112.1-176.7178.30000111.6T200 A230 E235 K245 I248 V252T200-V233 HydrophobicContact CG2-CB 4.26Å; T200-V233 HydrophobicContact CG2-CG2 3.7Å; A230-V233 WeakPolarHBondContact O-CG2 3.44Å; V233-E235 PolarHBondContact O-N 3.37Å; V233-K245 HydrophobicContact CG1-CB 4.37Å; V233-I248 HydrophobicContact CB-CG2 4.42Å; V233-I248 HydrophobicContact CG1-CB 3.91Å; V233-I248 HydrophobicContact CG1-CG2 3.73Å; V233-I248 HydrophobicContact CG2-CG2 4.03Å; V233-V252 HydrophobicContact CG2-CG2 3.99Å
234C91.4Very high87.5Confident3 Ų377.7 Ų77.72%0.0240%0.399CS..THydrogen-bonded Turntrans55.827.2-178.4-53.20000114.4T200 K201 G203 V232 S236 N237 V240 K245T200-C234 PolarHBondContact O-N 3.43Å; K201-C234 CarbonylContact O-C 3.48Å; K201-C234 WeakPolarHBondContact O-CA 3.28Å; G203-C234 WeakPolarHBondContact CA-SG 3.37Å; V232-C234 PolarHBondContact O-N 3.21Å; C234-S236 PolarHBondContact O-N 3.18Å; C234-N237 CarbonylContact O-C 3.54Å; C234-N237 PolarHBondContact O-N 2.97Å; C234-N237 VanDerWaalsContact O-N 3.09Å; C234-N237 VanDerWaalsContact O-O 3.09Å; C234-V240 HydrophobicContact CB-CB 4.18Å; C234-V240 HydrophobicContact CB-CG1 4.45Å; C234-V240 HydrophobicContact CB-CG2 4.15Å; C234-K245 HydrophobicContact CB-CD 4.49Å; C234-K245 HydrophobicContact CB-CG 4.13Å
235E90.5Very high87.4Confident103 Ų10378 Ų7848%0.48139%0.392SS..THydrogen-bonded Turntrans-55.7-39.8179.5-179.3-168.9-13500112K201 V232 V233 N237K201-E235 WeakPolarHBondContact CE-OE2 3.5Å; K201-E235 HydrophobicContact CG-CB 4.43Å; K201-E235 IonicContact NZ-OE2 3.92Å; K201-E235 PolarHBondContact NZ-OE2 3.41Å; K201-E235 PolarHBondContact O-N 3.36Å; V232-E235 HydrophobicContact CB-CB 4.24Å; V232-E235 WeakPolarHBondContact O-CB 3.48Å; V232-E235 PolarHBondContact O-N 3.35Å; V233-E235 PolarHBondContact O-N 3.37Å; E235-N237 VanDerWaalsContact C-N 3.34Å
236S90.4Very high87.3Confident57 Ų5778.1 Ų78.140%0.39939%0.387SS..THydrogen-bonded Turntrans-85.2-3.2-179.1-62.80000114.3K201 C234K201-S236 WeakPolarHBondContact CE-OG 3.12Å; K201-S236 VanDerWaalsContact CG-OG 3.3Å; K201-S236 WeakPolarHBondContact CG-OG 3.47Å; K201-S236 PolarHBondContact O-N 3.34Å; C234-S236 PolarHBondContact O-N 3.18Å
237N83.7Confident87.3Confident66 Ų6677 Ų7735%0.35337%0.373SS..  trans-13496.3-178.9-167-12.9000111.4C234 E235 N239 V240C234-N237 CarbonylContact O-C 3.54Å; C234-N237 PolarHBondContact O-N 2.97Å; C234-N237 VanDerWaalsContact O-N 3.09Å; C234-N237 VanDerWaalsContact O-O 3.09Å; E235-N237 VanDerWaalsContact C-N 3.34Å; N237-N239 VanDerWaalsContact C-N 3.3Å; N237-N239 PolarHBondContact O-N 3.45Å; N237-N239 PolarHBondContact OD1-N 2.95Å; N237-V240 HydrophobicContact CB-CG2 3.64Å; N237-V240 WeakPolarHBondContact O-CG2 3.4Å
238R78.3Confident87.4Confident226 Ų22674 Ų7485%0.85336%0.357SS*.THydrogen-bonded Turntrans-70.9-24.4-176.1-63.4-176.5-178.6-177.90.1113.2V240R238-V240 VanDerWaalsContact C-N 3.28Å; R238-V240 PolarHBondContact O-N 3.39Å
239N82.9Confident87.3Confident157 Ų15775.7 Ų75.784%0.8437%0.369SS*.THydrogen-bonded Turntrans-87.612.5-174.3-66.3-14.2000113.8N237N237-N239 VanDerWaalsContact C-N 3.3Å; N237-N239 PolarHBondContact O-N 3.45Å; N237-N239 PolarHBondContact OD1-N 2.95Å
240V84.3Confident87Confident20 Ų2080.8 Ų80.812%0.12140%0.395CS..  trans-80.1132.3-178.1179.60000111.5C234 N237 R238 I244 K245C234-V240 HydrophobicContact CB-CB 4.18Å; C234-V240 HydrophobicContact CB-CG1 4.45Å; C234-V240 HydrophobicContact CB-CG2 4.15Å; N237-V240 HydrophobicContact CB-CG2 3.64Å; N237-V240 WeakPolarHBondContact O-CG2 3.4Å; R238-V240 VanDerWaalsContact C-N 3.28Å; R238-V240 PolarHBondContact O-N 3.39Å; V240-I244 HydrophobicContact CG1-CB 3.46Å; V240-I244 VanDerWaalsContact CG1-CB 3.46Å; V240-I244 HydrophobicContact CG1-CD1 4.07Å; V240-I244 HydrophobicContact CG1-CG1 4.37Å; V240-I244 HydrophobicContact CG1-CG2 3.35Å; V240-K245 HydrophobicContact CG1-CG 4.18Å
241S87.9Confident86.9Confident55 Ų5583 Ų8339%0.38540%0.398SS..  trans-58.5148.7179.178.60000112.6K243 I244 K245S241-K243 PolarHBondContact O-N 2.98Å; S241-I244 PolarHBondContact O-N 2.93Å; S241-I244 VanDerWaalsContact O-N 3.08Å; S241-I244 WeakPolarHBondContact OG-CD1 3.22Å; S241-I244 WeakPolarHBondContact OG-CG1 3.2Å; S241-I244 PolarHBondContact OG-N 2.84Å; S241-K245 PolarHBondContact O-N 3.01Å; S241-K245 VanDerWaalsContact O-N 3.13Å
242R86.4Confident86.9Confident186 Ų18678.1 Ų78.170%0.70237%0.372SS*.Hα-helixtrans-57.2-31.7176.1-172.3177178.6118.2-4.9112.2R246R242-R246 VanDerWaalsContact NE-NH2 3.18Å; R242-R246 WeakPolarHBondContact O-CB 3.29Å; R242-R246 VanDerWaalsContact O-CG 3.3Å; R242-R246 WeakPolarHBondContact O-CG 3.42Å; R242-R246 PolarHBondContact O-N 2.95Å
243K85.9Confident86.3Confident177 Ų17778.4 Ų78.477%0.7738%0.376SS*.Hα-helixtrans-63.3-45.6176.1-68.8-176-179.8179.30111.4S241 R246 A247S241-K243 PolarHBondContact O-N 2.98Å; K243-R246 PolarHBondContact O-N 3.18Å; K243-A247 WeakPolarHBondContact O-CB 3.39Å; K243-A247 PolarHBondContact O-N 2.85Å
244I86.9Confident85.2Confident60 Ų6080.9 Ų80.931%0.30839%0.392SS..Hα-helixtrans-66.9-45.2178.9-66.9166.5000111V205 V240 S241 R246 A247 I248V205-I244 HydrophobicContact CB-CG2 4.22Å; V240-I244 HydrophobicContact CG1-CB 3.46Å; V240-I244 VanDerWaalsContact CG1-CB 3.46Å; V240-I244 HydrophobicContact CG1-CD1 4.07Å; V240-I244 HydrophobicContact CG1-CG1 4.37Å; V240-I244 HydrophobicContact CG1-CG2 3.35Å; S241-I244 PolarHBondContact O-N 2.93Å; S241-I244 VanDerWaalsContact O-N 3.08Å; S241-I244 WeakPolarHBondContact OG-CD1 3.22Å; S241-I244 WeakPolarHBondContact OG-CG1 3.2Å; S241-I244 PolarHBondContact OG-N 2.84Å; I244-R246 VanDerWaalsContact C-N 3.31Å; I244-R246 PolarHBondContact O-N 3.09Å; I244-A247 PolarHBondContact O-N 2.92Å; I244-A247 VanDerWaalsContact O-N 3.15Å; I244-I248 HydrophobicContact CG2-CD1 3.87Å; I244-I248 HydrophobicContact CG2-CG1 4.4Å; I244-I248 WeakPolarHBondContact O-CG1 3.46Å; I244-I248 PolarHBondContact O-N 3.27Å
245K87.5Confident84.1Confident80 Ų8082.7 Ų82.735%0.34840%0.402SS..Hα-helixtrans-56-47.5176.3-68.1-170.8-177.5-173.90111.1V233 C234 V240 S241 A247 I248 T249V233-K245 HydrophobicContact CG1-CB 4.37Å; C234-K245 HydrophobicContact CB-CD 4.49Å; C234-K245 HydrophobicContact CB-CG 4.13Å; V240-K245 HydrophobicContact CG1-CG 4.18Å; S241-K245 PolarHBondContact O-N 3.01Å; S241-K245 VanDerWaalsContact O-N 3.13Å; K245-A247 PolarHBondContact O-N 2.88Å; K245-I248 PolarHBondContact O-N 2.94Å; K245-T249 WeakPolarHBondContact O-CB 3.3Å; K245-T249 PolarHBondContact O-N 3.46Å; K245-T249 PolarHBondContact O-OG1 3.22Å
246R85.3Confident83.6Confident139 Ų13979.7 Ų79.753%0.52539%0.392SS..Hα-helixtrans-59.6-44.2175.9-76.1175171.4-178.5-6.1112.7R242 K243 I244 T249 L250R242-R246 VanDerWaalsContact NE-NH2 3.18Å; R242-R246 WeakPolarHBondContact O-CB 3.29Å; R242-R246 VanDerWaalsContact O-CG 3.3Å; R242-R246 WeakPolarHBondContact O-CG 3.42Å; R242-R246 PolarHBondContact O-N 2.95Å; K243-R246 PolarHBondContact O-N 3.18Å; I244-R246 VanDerWaalsContact C-N 3.31Å; I244-R246 PolarHBondContact O-N 3.09Å; R246-T249 PolarHBondContact O-N 2.91Å; R246-L250 PolarHBondContact O-N 3.01Å
247A86.1Confident83.4Confident31 Ų3179.4 Ų79.426%0.25638%0.383SS..Hα-helixtrans-62-47178.700000111.7V205 K243 I244 K245 L250 Y251V205-A247 HydrophobicContact CG2-CB 4Å; K243-A247 WeakPolarHBondContact O-CB 3.39Å; K243-A247 PolarHBondContact O-N 2.85Å; I244-A247 PolarHBondContact O-N 2.92Å; I244-A247 VanDerWaalsContact O-N 3.15Å; K245-A247 PolarHBondContact O-N 2.88Å; A247-L250 WeakPolarHBondContact O-CB 3.45Å; A247-L250 PolarHBondContact O-N 3.38Å; A247-Y251 WeakPolarHBondContact O-CD2 3.47Å; A247-Y251 PolarHBondContact O-N 3.23Å
248I90.1Very high83.8Confident0 Ų078.7 Ų78.70%038%0.375CS..Hα-helixtrans-62.5-48.1177.6-67.1173.9000110.5T200 V205 V208 V233 I244 K245 L250 Y251 V252T200-I248 HydrophobicContact CG2-CG2 3.72Å; V205-I248 HydrophobicContact CB-CD1 4.24Å; V205-I248 HydrophobicContact CB-CG1 3.97Å; V205-I248 HydrophobicContact CG2-CG1 3.99Å; V208-I248 HydrophobicContact CG1-CG2 4.3Å; V208-I248 HydrophobicContact CG2-CG1 4.48Å; V208-I248 HydrophobicContact CG2-CG2 4.23Å; V233-I248 HydrophobicContact CB-CG2 4.42Å; V233-I248 HydrophobicContact CG1-CB 3.91Å; V233-I248 HydrophobicContact CG1-CG2 3.73Å; V233-I248 HydrophobicContact CG2-CG2 4.03Å; I244-I248 HydrophobicContact CG2-CD1 3.87Å; I244-I248 HydrophobicContact CG2-CG1 4.4Å; I244-I248 WeakPolarHBondContact O-CG1 3.46Å; I244-I248 PolarHBondContact O-N 3.27Å; K245-I248 PolarHBondContact O-N 2.94Å; I248-L250 PolarHBondContact O-N 3.15Å; I248-Y251 PolarHBondContact O-N 3.25Å; I248-V252 HydrophobicContact CG2-CG1 4.48Å; I248-V252 HydrophobicContact CG2-CG2 4.15Å; I248-V252 VanDerWaalsContact O-CG2 3.31Å; I248-V252 WeakPolarHBondContact O-CG2 3.43Å; I248-V252 PolarHBondContact O-N 3.42Å
249T87.1Confident84.5Confident70 Ų7067.9 Ų67.943%0.42933%0.334SS..Hα-helixtrans-54.8-35.2175.9-59.20000112.2K245 R246 G253K245-T249 WeakPolarHBondContact O-CB 3.3Å; K245-T249 PolarHBondContact O-N 3.46Å; K245-T249 PolarHBondContact O-OG1 3.22Å; R246-T249 PolarHBondContact O-N 2.91Å; T249-G253 WeakPolarHBondContact O-CA 3.24Å; T249-G253 PolarHBondContact O-N 3.23Å
250L83.3Confident85Confident111 Ų11160.4 Ų60.458%0.58129%0.294SS*.Hα-helixtrans-66.6-39.9175.8-17465.7000112.3R246 A247 I248R246-L250 PolarHBondContact O-N 3.01Å; A247-L250 WeakPolarHBondContact O-CB 3.45Å; A247-L250 PolarHBondContact O-N 3.38Å; I248-L250 PolarHBondContact O-N 3.15Å
251Y87.1Confident85.3Confident72 Ų7259.5 Ų59.528%0.28229%0.289SS..Hα-helixtrans-74-43.9179.1-71.6-64.6000113.5V205 V208 Q209 K219 A247 I248V205-Y251 HydrophobicContact CG2-CE2 4.48Å; V208-Y251 HydrophobicContact CG1-CD2 4.37Å; V208-Y251 HydrophobicContact CG1-CG 4.26Å; Q209-Y251 HydrophobicContact CB-CD2 4.41Å; Q209-Y251 HydrophobicContact CB-CE1 4.15Å; Q209-Y251 HydrophobicContact CB-CE2 3.94Å; Q209-Y251 VanDerWaalsContact CD-OH 3.3Å; Q209-Y251 HydrophobicContact CG-CE1 3.86Å; Q209-Y251 HydrophobicContact CG-CE2 4.28Å; Q209-Y251 PolarHBondContact NE2-OH 3.36Å; K219-Y251 WeakPolarHBondContact CE-O 3.43Å; K219-Y251 PolarHBondContact NZ-O 3.35Å; A247-Y251 WeakPolarHBondContact O-CD2 3.47Å; A247-Y251 PolarHBondContact O-N 3.23Å; I248-Y251 PolarHBondContact O-N 3.25Å
252V87.2Confident85.3Confident0 Ų056.9 Ų56.90%027%0.27CS..Hα-helixtrans-95-7.6-175.6-58.60000114.7L196 T200 V208 R220 A229 A230 V233 I248L196-V252 HydrophobicContact CD1-CG1 3.84Å; L196-V252 HydrophobicContact CD2-CG1 4.42Å; L196-V252 HydrophobicContact CG-CG1 4.25Å; T200-V252 HydrophobicContact CG2-CG1 4.37Å; T200-V252 HydrophobicContact CG2-CG2 4.05Å; T200-V252 VanDerWaalsContact OG1-CG1 3.32Å; T200-V252 WeakPolarHBondContact OG1-CG1 3.45Å; V208-V252 HydrophobicContact CG1-CG1 3.53Å; R220-V252 PolarHBondContact NH2-O 2.91Å; A229-V252 HydrophobicContact CB-CB 4.42Å; A229-V252 HydrophobicContact CB-CG1 4.44Å; A230-V252 HydrophobicContact CB-CG2 4.18Å; A230-V252 WeakPolarHBondContact CB-O 3.28Å; V233-V252 HydrophobicContact CG2-CG2 3.99Å; I248-V252 HydrophobicContact CG2-CG1 4.48Å; I248-V252 HydrophobicContact CG2-CG2 4.15Å; I248-V252 VanDerWaalsContact O-CG2 3.31Å; I248-V252 WeakPolarHBondContact O-CG2 3.43Å; I248-V252 PolarHBondContact O-N 3.42Å
253G77.2Confident85.3Confident9 Ų949.6 Ų49.69%0.09324%0.243CC..SBendtrans-53.4169.9-175.900000113.3R220 T249 N255R220-G253 VanDerWaalsContact NH2-C 3.33Å; R220-G253 PolarHBondContact NH2-O 3.44Å; T249-G253 WeakPolarHBondContact O-CA 3.24Å; T249-G253 PolarHBondContact O-N 3.23Å; G253-N255 PolarHBondContact O-N 3.24Å
254P69.9Low85.1Confident76 Ų7643.6 Ų43.649%0.49422%0.218SC..  trans-44.3140170.822.6-32.1000110.5C256P254-C256 PolarHBondContact O-N 2.81Å
255N68.6Low84.8Confident42 Ų4241.1 Ų41.123%0.22521%0.207CC..PPolyproline II helixtrans-54.3116.4167.5-83.8-0.8000106.8G253 Y257 L280G253-N255 PolarHBondContact O-N 3.24Å; N255-Y257 HydrophobicContact CB-CE2 3.98Å; N255-L280 HydrophobicContact CB-CD2 3.58Å
256C79.5Confident84.5Confident40 Ų4046.7 Ų46.727%0.2723%0.231SC..PPolyproline II helixtrans-89.4116.1175.2-72.80000106.9P254 Y258 P305 F306P254-C256 PolarHBondContact O-N 2.81Å; C256-Y258 HydrophobicContact CB-CD2 4.42Å; C256-Y258 HydrophobicContact CB-CE1 4.49Å; C256-Y258 HydrophobicContact CB-CE2 3.53Å; C256-Y258 WeakPolarHBondContact CB-OH 3.41Å; C256-Y258 VanDerWaalsContact O-CD2 3.22Å; C256-Y258 WeakPolarHBondContact O-CD2 3.36Å; C256-Y258 WeakPolarHBondContact O-CE2 3.42Å; C256-P305 HydrophobicContact CB-CB 3.47Å; C256-P305 VanDerWaalsContact CB-CB 3.47Å; C256-P305 VanDerWaalsContact SG-CB 3.51Å; C256-F306 WeakPolarHBondContact CA-O 3.47Å
257Y86.8Confident84.1Confident51 Ų5143.3 Ų43.320%0.223%0.228CC..EExtended strand (participates in β ladder)trans-85.9141.6173.5-60.1-95.3000108.7N255 L280 F306 D309N255-Y257 HydrophobicContact CB-CE2 3.98Å; Y257-L280 HydrophobicContact CD1-CD2 3.8Å; Y257-L280 HydrophobicContact CE1-CD2 3.54Å; Y257-L280 HydrophobicContact CE1-CG 4.43Å; Y257-L280 HydrophobicContact CE2-CD2 4.36Å; Y257-L280 HydrophobicContact CG-CD2 4.32Å; Y257-F306 PolarHBondContact N-O 2.79Å; Y257-F306 WeakPolarHBondContact O-CD2 3.28Å; Y257-F306 PolarHBondContact O-N 3.41Å; Y257-D309 HydrophobicContact CD1-CB 3.87Å; Y257-D309 VanDerWaalsContact CD1-OD1 3.25Å; Y257-D309 WeakPolarHBondContact CD1-OD1 3.3Å; Y257-D309 HydrophobicContact CD2-CB 4.32Å; Y257-D309 HydrophobicContact CE1-CB 3.5Å; Y257-D309 WeakPolarHBondContact CE1-OD1 3.26Å; Y257-D309 HydrophobicContact CE2-CB 4.01Å; Y257-D309 HydrophobicContact CG-CB 4.26Å
258Y91Very high83.8Confident50 Ų5044 Ų4420%0.19622%0.224CC..EExtended strand (participates in β ladder)trans-129.6145.4-179.6-61.1-82.7000109.3C256 P260 P278 C279 I282 A303 P305C256-Y258 HydrophobicContact CB-CD2 4.42Å; C256-Y258 HydrophobicContact CB-CE1 4.49Å; C256-Y258 HydrophobicContact CB-CE2 3.53Å; C256-Y258 WeakPolarHBondContact CB-OH 3.41Å; C256-Y258 VanDerWaalsContact O-CD2 3.22Å; C256-Y258 WeakPolarHBondContact O-CD2 3.36Å; C256-Y258 WeakPolarHBondContact O-CE2 3.42Å; Y258-P260 WeakPolarHBondContact O-CD 3.12Å; Y258-P278 CarbonylContact O-C 3.55Å; Y258-P278 VanDerWaalsContact O-CA 3.29Å; Y258-P278 WeakPolarHBondContact O-CA 3.48Å; Y258-C279 PolarHBondContact N-O 2.65Å; Y258-C279 PolarHBondContact O-N 3.05Å; Y258-I282 HydrophobicContact CD1-CD1 3.58Å; Y258-I282 HydrophobicContact CD1-CG1 4.2Å; Y258-I282 HydrophobicContact CD2-CD1 4.18Å; Y258-I282 HydrophobicContact CD2-CG1 3.97Å; Y258-I282 HydrophobicContact CE1-CD1 4.07Å; Y258-I282 HydrophobicContact CG-CD1 3.62Å; Y258-I282 HydrophobicContact CG-CG1 3.68Å; Y258-A303 WeakPolarHBondContact CA-O 3.31Å; Y258-P305 HydrophobicContact CD1-CB 4.47Å; Y258-P305 HydrophobicContact CE1-CB 3.69Å; Y258-P305 HydrophobicContact CE1-CG 4.38Å
259V93.9Very high83.2Confident0 Ų048.8 Ų48.80%025%0.25CC..EExtended strand (participates in β ladder)trans-117.193173.8-176.50000107.6L275 P278 A303 F306 A312 F315 Y316 W319V259-L275 HydrophobicContact CG1-CD1 4.03Å; V259-P278 HydrophobicContact CG2-CG 4.19Å; V259-A303 HydrophobicContact CB-CB 4.37Å; V259-A303 PolarHBondContact N-O 2.78Å; V259-A303 PolarHBondContact O-N 2.95Å; V259-F306 HydrophobicContact CG2-CE2 3.99Å; V259-A312 HydrophobicContact CG2-CB 4.11Å; V259-A312 WeakPolarHBondContact CG2-O 3.28Å; V259-F315 HydrophobicContact CB-CD1 4.28Å; V259-F315 HydrophobicContact CG1-CD1 4.34Å; V259-F315 HydrophobicContact CG2-CD1 4.4Å; V259-Y316 HydrophobicContact CG1-CD2 4.05Å; V259-Y316 HydrophobicContact CG1-CG 4.47Å; V259-W319 HydrophobicContact CG1-CE3 4.04Å; V259-W319 HydrophobicContact CG1-CZ3 4.23Å
260P92.9Very high82.8Confident0 Ų046.5 Ų46.50%024%0.237CC..EExtended strand (participates in β ladder)trans-88.1145.2-176.830.8-28.4000112.7Y258 Y262 Q276 I282 L299Y258-P260 WeakPolarHBondContact O-CD 3.12Å; P260-Y262 HydrophobicContact CB-CE2 3.72Å; P260-Y262 HydrophobicContact CG-CE2 3.8Å; P260-Q276 HydrophobicContact CG-CB 3.96Å; P260-Q276 PolarHBondContact O-N 3.33Å; P260-I282 HydrophobicContact CB-CG2 4.33Å; P260-L299 HydrophobicContact CB-CD1 3.71Å
261L91.1Very high82.4Confident0 Ų044.6 Ų44.60%023%0.227CC..EExtended strand (participates in β ladder)trans-112128.4170.217675.6000108.4F273 L275 A300 A301 W319 M345 E346L261-F273 HydrophobicContact CD1-CB 4.13Å; L261-F273 HydrophobicContact CD1-CD1 4.1Å; L261-F273 HydrophobicContact CD2-CD1 4.01Å; L261-F273 HydrophobicContact CD2-CE1 4.34Å; L261-F273 HydrophobicContact CG-CD1 4.23Å; L261-L275 HydrophobicContact CB-CD1 4.37Å; L261-L275 HydrophobicContact CD1-CB 4.12Å; L261-L275 HydrophobicContact CD1-CD1 4.33Å; L261-A300 HydrophobicContact CD2-CB 4.28Å; L261-A300 HydrophobicContact CG-CB 4.39Å; L261-A300 PolarHBondContact O-N 3.24Å; L261-A301 HydrophobicContact CB-CB 4.36Å; L261-A301 HydrophobicContact CD2-CB 4.34Å; L261-A301 PolarHBondContact N-O 3.08Å; L261-A301 PolarHBondContact O-N 2.92Å; L261-A301 VanDerWaalsContact O-N 3.16Å; L261-W319 HydrophobicContact CB-CH2 3.49Å; L261-W319 VanDerWaalsContact CB-CH2 3.49Å; L261-W319 HydrophobicContact CB-CZ2 3.94Å; L261-W319 HydrophobicContact CB-CZ3 4.27Å; L261-W319 HydrophobicContact CD1-CZ2 4.41Å; L261-W319 HydrophobicContact CD2-CH2 4.15Å; L261-W319 HydrophobicContact CD2-CZ2 3.77Å; L261-W319 HydrophobicContact CG-CH2 4.31Å; L261-W319 HydrophobicContact CG-CZ2 4.26Å; L261-M345 HydrophobicContact CD1-CB 4.23Å; L261-M345 HydrophobicContact CD1-CE 3.8Å; L261-M345 HydrophobicContact CD2-CB 3.62Å; L261-E346 HydrophobicContact CD2-CG 4.26Å
262Y88.1Confident82Confident0 Ų043.4 Ų43.40%023%0.226CC..EExtended strand (participates in β ladder)trans-110.7153.5174-59.6-93.2000110.8P260 F273 F274 Q276 P283 Y287 L297 F298 L299P260-Y262 HydrophobicContact CB-CE2 3.72Å; P260-Y262 HydrophobicContact CG-CE2 3.8Å; Y262-F273 CarbonylContact O-C 3.59Å; Y262-F273 WeakPolarHBondContact O-CA 3.36Å; Y262-F274 HydrophobicContact CD2-CD1 4.11Å; Y262-F274 PolarHBondContact N-O 3.42Å; Y262-F274 PolarHBondContact O-N 3.43Å; Y262-Q276 HydrophobicContact CE2-CB 4.28Å; Y262-Q276 VanDerWaalsContact CE2-OE1 3.29Å; Y262-P283 VanDerWaalsContact OH-CD 3.28Å; Y262-P283 WeakPolarHBondContact OH-CD 3.32Å; Y262-Y287 HydrophobicContact CD1-CE1 4.42Å; Y262-Y287 AromaticContact CE1-CE1 3.94Å; Y262-Y287 HydrophobicContact CE1-CE1 3.94Å; Y262-L297 HydrophobicContact CD1-CB 4.19Å; Y262-L297 HydrophobicContact CG-CB 4.45Å; Y262-F298 CarbonylContact C-O 3.6Å; Y262-F298 VanDerWaalsContact CA-O 3.23Å; Y262-F298 WeakPolarHBondContact CA-O 3.18Å; Y262-L299 HydrophobicContact CD1-CB 4.07Å; Y262-L299 HydrophobicContact CD1-CD1 4.28Å; Y262-L299 HydrophobicContact CE1-CB 3.89Å; Y262-L299 HydrophobicContact CE1-CD1 3.82Å; Y262-L299 HydrophobicContact CE1-CG 4.48Å
263R86.1Confident81.7Confident33 Ų3343.9 Ų43.913%0.12523%0.228CC..EExtended strand (participates in β ladder)trans-101.6131.1161-76.4173.2179.6-105.66.6108.5R268 S270 D272 F273 F298 A300 E346R263-R268 WeakPolarHBondContact CD-O 3.42Å; R263-S270 WeakPolarHBondContact CD-O 3.31Å; R263-S270 WeakPolarHBondContact CG-O 3.01Å; R263-S270 PolarHBondContact NH1-O 3.21Å; R263-D272 CarbonylContact C-O 3.25Å; R263-D272 VanDerWaalsContact CA-O 3.23Å; R263-D272 WeakPolarHBondContact CA-O 3.45Å; R263-F273 HydrophobicContact CG-CD1 3.8Å; R263-F273 HydrophobicContact CG-CE1 3.72Å; R263-F273 VanDerWaalsContact CZ-CE1 3.43Å; R263-F273 VanDerWaalsContact CZ-CZ 3.41Å; R263-F298 PolarHBondContact N-O 2.93Å; R263-F298 PolarHBondContact O-N 2.91Å; R263-A300 HydrophobicContact CG-CB 3.86Å; R263-E346 IonicContact CZ-OE1 2.57Å; R263-E346 VanDerWaalsContact CZ-OE1 3.27Å; R263-E346 IonicContact NE-OE1 2.73Å; R263-E346 PolarHBondContact NE-OE1 3.04Å; R263-E346 IonicContact NH2-OE1 3.6Å; R263-E346 PolarHBondContact NH2-OE1 2.85Å; R263-E346 IonicContact NH2-OE2 3.53Å; R263-E346 PolarHBondContact NH2-OE2 2.87Å
264Q82.3Confident82Confident51 Ų5145.4 Ų45.424%0.23823%0.232CC..EExtended strand (participates in β ladder)trans-103.3126-178.2-178.2173.1-6.400109.2S270 D272 D295 E296 L297Q264-S270 WeakPolarHBondContact O-CB 3.39Å; Q264-S270 PolarHBondContact O-OG 3.37Å; Q264-D272 HydrophobicContact CB-CB 4.23Å; Q264-D272 PolarHBondContact N-O 3.47Å; Q264-D272 WeakPolarHBondContact O-CB 3.44Å; Q264-D295 HydrophobicContact CG-CB 3.45Å; Q264-D295 VanDerWaalsContact CG-CB 3.45Å; Q264-D295 PolarHBondContact NE2-OD2 3.11Å; Q264-E296 WeakPolarHBondContact CA-O 3.48Å; Q264-L297 HydrophobicContact CB-CD2 3.73Å; Q264-L297 HydrophobicContact CG-CD2 4.03Å
265G80.7Confident82.9Confident8 Ų841.9 Ų41.98%0.08221%0.209CC..EExtended strand (participates in β ladder)trans161.6-154.6174.500000113.1E296G265-E296 PolarHBondContact N-O 3.47Å; G265-E296 WeakPolarHBondContact O-CB 3.35Å; G265-E296 PolarHBondContact O-N 3.24Å
266K79.3Confident83.7Confident198 Ų19841.9 Ų41.986%0.86121%0.207SC*.SBendtrans-89-20.7177.6-65.4-173.3179.1-179.80113.8
267C77.6Confident84.2Confident67 Ų6742.4 Ų42.445%0.45321%0.21SC..SBendtrans-140.8165.2178.564.50000110.4D269 S270C267-D269 PolarHBondContact O-N 3.16Å; C267-S270 WeakPolarHBondContact O-CB 3.29Å; C267-S270 PolarHBondContact O-N 2.91Å
268R79.7Confident84.3Confident45 Ų4541.3 Ų41.317%0.1721%0.21CC..THydrogen-bonded Turntrans-66.7-18.9-177.8-174.8172.9-73-811.5113.9R263 S270 F298 L299 Y363R263-R268 WeakPolarHBondContact CD-O 3.42Å; R268-S270 VanDerWaalsContact C-N 3.27Å; R268-S270 PolarHBondContact O-N 3.29Å; R268-F298 HydrophobicContact CB-CB 4.3Å; R268-F298 HydrophobicContact CB-CD1 4.27Å; R268-F298 HydrophobicContact CB-CG 4.19Å; R268-F298 HydrophobicContact CG-CB 4.16Å; R268-L299 PolarHBondContact NH1-O 3.44Å; R268-Y363 HydrophobicContact CG-CD1 4.36Å; R268-Y363 HydrophobicContact CG-CE1 4.47Å
269D77Confident84Confident102 Ų10240 Ų4055%0.54521%0.207SC..THydrogen-bonded Turntrans-90.614.4179.8-56.6-38.1000112.7C267C267-D269 PolarHBondContact O-N 3.16Å
270S79.5Confident83.2Confident22 Ų2243.9 Ų43.915%0.15423%0.228CC..  trans-61.8142.5177.7-171.40000112.3R263 Q264 C267 R268 D272R263-S270 WeakPolarHBondContact CD-O 3.31Å; R263-S270 WeakPolarHBondContact CG-O 3.01Å; R263-S270 PolarHBondContact NH1-O 3.21Å; Q264-S270 WeakPolarHBondContact O-CB 3.39Å; Q264-S270 PolarHBondContact O-OG 3.37Å; C267-S270 WeakPolarHBondContact O-CB 3.29Å; C267-S270 PolarHBondContact O-N 2.91Å; R268-S270 VanDerWaalsContact C-N 3.27Å; R268-S270 PolarHBondContact O-N 3.29Å; S270-D272 VanDerWaalsContact C-N 3.28Å; S270-D272 PolarHBondContact O-N 3.14Å; S270-D272 PolarHBondContact OG-N 2.91Å
271D75.4Confident82.3Confident71 Ų7151.3 Ų51.338%0.3826%0.262SS..SBendtrans-81.1-8.7-179.8-62-41.3000113.4F273 P341D271-F273 WeakPolarHBondContact O-CD2 3.48Å; D271-F273 WeakPolarHBondContact O-CE2 3.39Å; D271-P341 HydrophobicContact CB-CB 4.32Å; D271-P341 VanDerWaalsContact OD1-CB 3.29Å; D271-P341 WeakPolarHBondContact OD1-CB 3.25Å
272D78.4Confident81.5Confident47 Ų4753.2 Ų53.225%0.25127%0.272SS..EExtended strand (participates in β ladder)trans-87.3122.7-179.8-60.5-11.8000109.6R263 Q264 S270 Y337R263-D272 CarbonylContact C-O 3.25Å; R263-D272 VanDerWaalsContact CA-O 3.23Å; R263-D272 WeakPolarHBondContact CA-O 3.45Å; Q264-D272 HydrophobicContact CB-CB 4.23Å; Q264-D272 PolarHBondContact N-O 3.47Å; Q264-D272 WeakPolarHBondContact O-CB 3.44Å; S270-D272 VanDerWaalsContact C-N 3.28Å; S270-D272 PolarHBondContact O-N 3.14Å; S270-D272 PolarHBondContact OG-N 2.91Å; D272-Y337 HydrophobicContact CB-CD2 4.45Å; D272-Y337 HydrophobicContact CB-CE2 4.13Å; D272-Y337 WeakPolarHBondContact OD1-CE2 3.13Å; D272-Y337 VanDerWaalsContact OD1-CZ 3.27Å; D272-Y337 PolarHBondContact OD1-OH 3.01Å
273F81.9Confident80.4Confident10 Ų1055.6 Ų55.64%0.04429%0.287CS..EExtended strand (participates in β ladder)trans-108.7149.3-177.3-63.8-86.4000112.3L261 Y262 R263 D271 M327 M345L261-F273 HydrophobicContact CD1-CB 4.13Å; L261-F273 HydrophobicContact CD1-CD1 4.1Å; L261-F273 HydrophobicContact CD2-CD1 4.01Å; L261-F273 HydrophobicContact CD2-CE1 4.34Å; L261-F273 HydrophobicContact CG-CD1 4.23Å; Y262-F273 CarbonylContact O-C 3.59Å; Y262-F273 WeakPolarHBondContact O-CA 3.36Å; R263-F273 HydrophobicContact CG-CD1 3.8Å; R263-F273 HydrophobicContact CG-CE1 3.72Å; R263-F273 VanDerWaalsContact CZ-CE1 3.43Å; R263-F273 VanDerWaalsContact CZ-CZ 3.41Å; D271-F273 WeakPolarHBondContact O-CD2 3.48Å; D271-F273 WeakPolarHBondContact O-CE2 3.39Å; F273-M327 HydrophobicContact CB-CE 4.35Å; F273-M327 HydrophobicContact CD2-CE 4.3Å; F273-M345 HydrophobicContact CB-CG 4.21Å; F273-M345 HydrophobicContact CD1-CB 3.86Å; F273-M345 HydrophobicContact CD1-CG 4Å; F273-M345 HydrophobicContact CD2-CG 3.9Å; F273-M345 HydrophobicContact CE1-CB 3.89Å; F273-M345 HydrophobicContact CE1-CG 4.3Å; F273-M345 HydrophobicContact CE2-CG 4.23Å; F273-M345 HydrophobicContact CG-CB 4.17Å; F273-M345 HydrophobicContact CG-CG 3.77Å; F273-M345 HydrophobicContact CZ-CB 4.25Å; F273-M345 HydrophobicContact CZ-CG 4.4Å
274F83Confident79.2Confident41 Ų4157.3 Ų57.318%0.1830%0.301CS..EExtended strand (participates in β ladder)trans-133105.4170.3-179.1-101.7000109.6Y262 Q276 L297Y262-F274 HydrophobicContact CD2-CD1 4.11Å; Y262-F274 PolarHBondContact N-O 3.42Å; Y262-F274 PolarHBondContact O-N 3.43Å; F274-Q276 HydrophobicContact CD1-CB 4.46Å; F274-Q276 HydrophobicContact CE1-CB 3.98Å; F274-Q276 HydrophobicContact CE1-CG 4.18Å; F274-L297 HydrophobicContact CB-CD2 4.22Å
275L87.7Confident78.2Confident2 Ų259.9 Ų59.91%0.0132%0.321CS..EExtended strand (participates in β ladder)trans-87.5117.7173.9-179.863.9000109.5V259 L261 Y316 W319 K320 L336 M345V259-L275 HydrophobicContact CG1-CD1 4.03Å; L261-L275 HydrophobicContact CB-CD1 4.37Å; L261-L275 HydrophobicContact CD1-CB 4.12Å; L261-L275 HydrophobicContact CD1-CD1 4.33Å; L275-Y316 HydrophobicContact CD2-CD2 3.98Å; L275-Y316 HydrophobicContact CD2-CE2 4.02Å; L275-Y316 HydrophobicContact CG-CD2 3.93Å; L275-Y316 HydrophobicContact CG-CE2 3.85Å; L275-W319 HydrophobicContact CD1-CD2 3.75Å; L275-W319 HydrophobicContact CD1-CE3 3.31Å; L275-W319 HydrophobicContact CD1-CG 4.5Å; L275-W319 HydrophobicContact CD1-CH2 4.08Å; L275-W319 HydrophobicContact CD1-CZ2 4.44Å; L275-W319 HydrophobicContact CD1-CZ3 3.5Å; L275-W319 VanDerWaalsContact CD1-CZ3 3.5Å; L275-W319 HydrophobicContact CD2-CB 4.01Å; L275-W319 HydrophobicContact CD2-CD2 4.03Å; L275-W319 HydrophobicContact CD2-CE3 4.24Å; L275-W319 HydrophobicContact CD2-CG 3.91Å; L275-W319 HydrophobicContact CG-CE3 4.43Å; L275-K320 HydrophobicContact CD2-CB 4.24Å; L275-L336 HydrophobicContact CD2-CD1 4.43Å; L275-M345 HydrophobicContact CB-CE 4.3Å; L275-M345 HydrophobicContact CD2-CE 4.47Å
276Q86.2Confident77.5Confident41 Ų4161.7 Ų61.719%0.19233%0.332CS..PPolyproline II helixtrans-92.4143.2-178-167175.6-35.900111.2P260 Y262 F274 Y316P260-Q276 HydrophobicContact CG-CB 3.96Å; P260-Q276 PolarHBondContact O-N 3.33Å; Y262-Q276 HydrophobicContact CE2-CB 4.28Å; Y262-Q276 VanDerWaalsContact CE2-OE1 3.29Å; F274-Q276 HydrophobicContact CD1-CB 4.46Å; F274-Q276 HydrophobicContact CE1-CB 3.98Å; F274-Q276 HydrophobicContact CE1-CG 4.18Å; Q276-Y316 WeakPolarHBondContact O-CD2 3.43Å
277P88.7Confident76.9Confident52 Ų5256 Ų5634%0.33831%0.306SS..PPolyproline II helixtrans-57164.4167.6-23.733.7000113C279 Y316P277-C279 PolarHBondContact O-N 2.93Å; P277-Y316 HydrophobicContact CB-CE2 4.45Å; P277-Y316 HydrophobicContact CG-CE1 4.46Å; P277-Y316 HydrophobicContact CG-CE2 4.21Å
278P90.1Very high76.3Confident28 Ų2860.8 Ų60.818%0.18232%0.315CS..PPolyproline II helixtrans-50133.4178.9-27.634.8000113.6Y258 V259 A312 L313Y258-P278 CarbonylContact O-C 3.55Å; Y258-P278 VanDerWaalsContact O-CA 3.29Å; Y258-P278 WeakPolarHBondContact O-CA 3.48Å; V259-P278 HydrophobicContact CG2-CG 4.19Å; P278-A312 HydrophobicContact CB-CB 3.85Å; P278-A312 HydrophobicContact CG-CB 3.87Å; P278-L313 HydrophobicContact CG-CB 4.24Å; P278-L313 HydrophobicContact CG-CD1 4.26Å
279C85Confident75.5Confident21 Ų2160.4 Ų60.414%0.14232%0.317CS..BIsolated β-bridgetrans-136.8156.3176.363.70000111.6Y258 P277 E281Y258-C279 PolarHBondContact N-O 2.65Å; Y258-C279 PolarHBondContact O-N 3.05Å; P277-C279 PolarHBondContact O-N 2.93Å; C279-E281 PolarHBondContact SG-O 2.92Å
280L77.3Confident74.7Confident83 Ų8364 Ų6444%0.43534%0.336SS..SBendtrans-81.4-28.3179.9-66.5177.2000112.9N255 Y257N255-L280 HydrophobicContact CB-CD2 3.58Å; Y257-L280 HydrophobicContact CD1-CD2 3.8Å; Y257-L280 HydrophobicContact CE1-CD2 3.54Å; Y257-L280 HydrophobicContact CE1-CG 4.43Å; Y257-L280 HydrophobicContact CE2-CD2 4.36Å; Y257-L280 HydrophobicContact CG-CD2 4.32Å
281E72.8Confident73.6Confident155 Ų15566.3 Ų66.372%0.72435%0.352SS*.SBendtrans-127.2135.2-178.8-63.4-174.6171.300108.7C279 P283C279-E281 PolarHBondContact SG-O 2.92Å; E281-P283 WeakPolarHBondContact O-CD 3.32Å
282I74.5Confident72.9Confident41 Ų4172.5 Ų72.521%0.2138%0.379CS..  trans-94119.3173.7-53.7162.9000107.1Y258 P260 V284 L299 C302Y258-I282 HydrophobicContact CD1-CD1 3.58Å; Y258-I282 HydrophobicContact CD1-CG1 4.2Å; Y258-I282 HydrophobicContact CD2-CD1 4.18Å; Y258-I282 HydrophobicContact CD2-CG1 3.97Å; Y258-I282 HydrophobicContact CE1-CD1 4.07Å; Y258-I282 HydrophobicContact CG-CD1 3.62Å; Y258-I282 HydrophobicContact CG-CG1 3.68Å; P260-I282 HydrophobicContact CB-CG2 4.33Å; I282-V284 WeakPolarHBondContact O-CG2 3.42Å; I282-V284 PolarHBondContact O-N 3.39Å; I282-L299 HydrophobicContact CG2-CD1 3.94Å; I282-L299 HydrophobicContact CG2-CD2 3.72Å; I282-L299 HydrophobicContact CG2-CG 4.48Å; I282-C302 HydrophobicContact CD1-CB 4.36Å; I282-C302 WeakPolarHBondContact CD1-SG 3.43Å
283P66Low71.9Confident49 Ų4976.5 Ų76.532%0.31840%0.399SS..  trans-53.699.4161.1-24.830.6000110.3Y262 E281 T285 Y287Y262-P283 VanDerWaalsContact OH-CD 3.28Å; Y262-P283 WeakPolarHBondContact OH-CD 3.32Å; E281-P283 WeakPolarHBondContact O-CD 3.32Å; P283-T285 VanDerWaalsContact C-N 3.34Å; P283-Y287 HydrophobicContact CB-CD1 3.91Å; P283-Y287 HydrophobicContact CB-CE1 3.68Å; P283-Y287 HydrophobicContact CG-CE1 4.16Å
284V60Low70.7Confident69 Ų6979.2 Ų79.242%0.41842%0.418SS..  trans-77.3-24.3-173.1-122.30000112.6I282 V428I282-V284 WeakPolarHBondContact O-CG2 3.42Å; I282-V284 PolarHBondContact O-N 3.39Å; V284-V428 HydrophobicContact CG1-CB 4.23Å; V284-V428 HydrophobicContact CG1-CG1 3.52Å; V284-V428 HydrophobicContact CG1-CG2 3.81Å
285T61.2Low70.1Confident105 Ų10579.6 Ų79.664%0.64442%0.422SS*.SBendtrans-93.9148.1177.750.60000110.2P283 Y287P283-T285 VanDerWaalsContact C-N 3.34Å; T285-Y287 PolarHBondContact O-N 3.01Å
286S66.5Low69.8Low47 Ų4781.9 Ų81.933%0.32943%0.432SS..  trans-60.2139.5165.953.70000110.1E296 L297S286-E296 WeakPolarHBondContact CB-OE1 3.27Å; S286-E296 PolarHBondContact OG-OE1 3.39Å; S286-L297 WeakPolarHBondContact CA-O 3.45Å; S286-L297 WeakPolarHBondContact CB-O 3.36Å
287Y66.3Low69.7Low77 Ų7780.3 Ų80.330%0.30243%0.425SS..EExtended strand (participates in β ladder)trans-137.9152-17864.2-85.8000110Y262 P283 T285 L297Y262-Y287 HydrophobicContact CD1-CE1 4.42Å; Y262-Y287 AromaticContact CE1-CE1 3.94Å; Y262-Y287 HydrophobicContact CE1-CE1 3.94Å; P283-Y287 HydrophobicContact CB-CD1 3.91Å; P283-Y287 HydrophobicContact CB-CE1 3.68Å; P283-Y287 HydrophobicContact CG-CE1 4.16Å; T285-Y287 PolarHBondContact O-N 3.01Å; Y287-L297 HydrophobicContact CD1-CB 4.38Å; Y287-L297 HydrophobicContact CD2-CD1 4.23Å; Y287-L297 HydrophobicContact CE1-CB 4.06Å; Y287-L297 HydrophobicContact CE1-CD1 4.31Å; Y287-L297 HydrophobicContact CE2-CB 4.37Å; Y287-L297 HydrophobicContact CE2-CD1 3.42Å; Y287-L297 VanDerWaalsContact CE2-CD1 3.42Å; Y287-L297 HydrophobicContact CE2-CG 4.47Å; Y287-L297 VanDerWaalsContact CZ-CD1 3.46Å; Y287-L297 PolarHBondContact N-O 3.05Å; Y287-L297 PolarHBondContact O-N 2.86Å; Y287-L297 WeakPolarHBondContact OH-CD1 3.43Å
288R65.8Low69.7Low169 Ų16978.8 Ų78.864%0.63841%0.413SS*.EExtended strand (participates in β ladder)trans-91140.9-179.2-65.1-178.1-179.3-158.2-0.3110
289T63Low69.7Low36 Ų3678 Ų7822%0.22141%0.407CS..  trans-71.4152.816560.70000109.5S291 D295 L297T289-S291 PolarHBondContact O-N 3.03Å; T289-S291 PolarHBondContact OG1-OG 3.23Å; T289-D295 PolarHBondContact N-O 3.11Å; T289-L297 HydrophobicContact CG2-CD1 3.93Å; T289-L297 HydrophobicContact CG2-CG 4.39Å
290N58.8Low69.9Low178 Ų17877.1 Ų77.195%0.95240%0.402SS*.SBendtrans-7222.6175.6-75.6-10.3000113.1
291S56.5Low70.6Confident70 Ų7073.2 Ų73.249%0.4938%0.381SS..SBendtrans-82148-177.2-65.10000111.1T289 I293T289-S291 PolarHBondContact O-N 3.03Å; T289-S291 PolarHBondContact OG1-OG 3.23Å; S291-I293 WeakPolarHBondContact CB-O 3.32Å; S291-I293 CarbonylContact O-C 3.48Å; S291-I293 PolarHBondContact O-N 3.01Å
292E60.9Low71.7Confident201 Ų20166.2 Ų66.294%0.93935%0.35SS*.SBendtrans-58.4-31.3177.4-66.4-179.617400112.6P294E292-P294 WeakPolarHBondContact O-CD 3.46Å
293I57.3Low72.7Confident132 Ų13264.3 Ų64.368%0.67734%0.34SS*.SBendtrans-100.5106.5166.1-54.7170.2000106.3S291 D295S291-I293 WeakPolarHBondContact CB-O 3.32Å; S291-I293 CarbonylContact O-C 3.48Å; S291-I293 PolarHBondContact O-N 3.01Å; I293-D295 PolarHBondContact O-N 3.19Å
294P57Low73.9Confident67 Ų6762.2 Ų62.244%0.43533%0.327SS..  trans-78.398.7-17527.8-30.7000109.5E292E292-P294 WeakPolarHBondContact O-CD 3.46Å
295D70.2Confident75.3Confident48 Ų4861.3 Ų61.326%0.25732%0.323SS..  trans-79.2136.3160.5-64.6-35.1000109.3Q264 T289 I293Q264-D295 HydrophobicContact CG-CB 3.45Å; Q264-D295 VanDerWaalsContact CG-CB 3.45Å; Q264-D295 PolarHBondContact NE2-OD2 3.11Å; T289-D295 PolarHBondContact N-O 3.11Å; I293-D295 PolarHBondContact O-N 3.19Å
296E81.6Confident76.6Confident50 Ų5057 Ų5723%0.23430%0.295CS..EExtended strand (participates in β ladder)trans-94.2136175.5-174.7167.6-172.400109.5Q264 G265 S286 F298Q264-E296 WeakPolarHBondContact CA-O 3.48Å; G265-E296 PolarHBondContact N-O 3.47Å; G265-E296 WeakPolarHBondContact O-CB 3.35Å; G265-E296 PolarHBondContact O-N 3.24Å; S286-E296 WeakPolarHBondContact CB-OE1 3.27Å; S286-E296 PolarHBondContact OG-OE1 3.39Å; E296-F298 HydrophobicContact CB-CE2 3.75Å; E296-F298 HydrophobicContact CB-CZ 3.8Å; E296-F298 VanDerWaalsContact CD-CZ 3.44Å; E296-F298 HydrophobicContact CG-CD2 4.48Å; E296-F298 HydrophobicContact CG-CE1 3.94Å; E296-F298 HydrophobicContact CG-CE2 3.85Å; E296-F298 HydrophobicContact CG-CZ 3.54Å
297L84.6Confident77.2Confident9 Ų959.3 Ų59.35%0.04730%0.304CS..EExtended strand (participates in β ladder)trans-96.1115.8177.7-73168.3000109.8Y262 Q264 F274 S286 Y287 T289Y262-L297 HydrophobicContact CD1-CB 4.19Å; Y262-L297 HydrophobicContact CG-CB 4.45Å; Q264-L297 HydrophobicContact CB-CD2 3.73Å; Q264-L297 HydrophobicContact CG-CD2 4.03Å; F274-L297 HydrophobicContact CB-CD2 4.22Å; S286-L297 WeakPolarHBondContact CA-O 3.45Å; S286-L297 WeakPolarHBondContact CB-O 3.36Å; Y287-L297 HydrophobicContact CD1-CB 4.38Å; Y287-L297 HydrophobicContact CD2-CD1 4.23Å; Y287-L297 HydrophobicContact CE1-CB 4.06Å; Y287-L297 HydrophobicContact CE1-CD1 4.31Å; Y287-L297 HydrophobicContact CE2-CB 4.37Å; Y287-L297 HydrophobicContact CE2-CD1 3.42Å; Y287-L297 VanDerWaalsContact CE2-CD1 3.42Å; Y287-L297 HydrophobicContact CE2-CG 4.47Å; Y287-L297 VanDerWaalsContact CZ-CD1 3.46Å; Y287-L297 PolarHBondContact N-O 3.05Å; Y287-L297 PolarHBondContact O-N 2.86Å; Y287-L297 WeakPolarHBondContact OH-CD1 3.43Å; T289-L297 HydrophobicContact CG2-CD1 3.93Å; T289-L297 HydrophobicContact CG2-CG 4.39Å
298F87.6Confident78.1Confident19 Ų1959.9 Ų59.98%0.08331%0.309CS..EExtended strand (participates in β ladder)trans-104.2119.9178.2-59.2-84.8000110.1Y262 R263 R268 E296 A300Y262-F298 CarbonylContact C-O 3.6Å; Y262-F298 VanDerWaalsContact CA-O 3.23Å; Y262-F298 WeakPolarHBondContact CA-O 3.18Å; R263-F298 PolarHBondContact N-O 2.93Å; R263-F298 PolarHBondContact O-N 2.91Å; R268-F298 HydrophobicContact CB-CB 4.3Å; R268-F298 HydrophobicContact CB-CD1 4.27Å; R268-F298 HydrophobicContact CB-CG 4.19Å; R268-F298 HydrophobicContact CG-CB 4.16Å; E296-F298 HydrophobicContact CB-CE2 3.75Å; E296-F298 HydrophobicContact CB-CZ 3.8Å; E296-F298 VanDerWaalsContact CD-CZ 3.44Å; E296-F298 HydrophobicContact CG-CD2 4.48Å; E296-F298 HydrophobicContact CG-CE1 3.94Å; E296-F298 HydrophobicContact CG-CE2 3.85Å; E296-F298 HydrophobicContact CG-CZ 3.54Å; F298-A300 PolarHBondContact O-N 2.62Å
299L90.1Very high79Confident11 Ų1155.4 Ų55.46%0.05830%0.298CS..EExtended strand (participates in β ladder)trans-60.5112.4176.818068.9000110.3P260 Y262 R268 I282 F370P260-L299 HydrophobicContact CB-CD1 3.71Å; Y262-L299 HydrophobicContact CD1-CB 4.07Å; Y262-L299 HydrophobicContact CD1-CD1 4.28Å; Y262-L299 HydrophobicContact CE1-CB 3.89Å; Y262-L299 HydrophobicContact CE1-CD1 3.82Å; Y262-L299 HydrophobicContact CE1-CG 4.48Å; R268-L299 PolarHBondContact NH1-O 3.44Å; I282-L299 HydrophobicContact CG2-CD1 3.94Å; I282-L299 HydrophobicContact CG2-CD2 3.72Å; I282-L299 HydrophobicContact CG2-CG 4.48Å; L299-F370 HydrophobicContact CB-CE1 4.28Å; L299-F370 HydrophobicContact CB-CZ 3.94Å; L299-F370 HydrophobicContact CD2-CE1 3.85Å; L299-F370 HydrophobicContact CD2-CZ 3.81Å; L299-F370 HydrophobicContact CG-CE1 3.79Å; L299-F370 HydrophobicContact CG-CZ 3.9Å; L299-F370 WeakPolarHBondContact O-CE1 3.42Å; L299-F370 WeakPolarHBondContact O-CZ 3.44Å
300A90.3Very high80.4Confident4 Ų459.1 Ų59.13%0.03331%0.313CS..EExtended strand (participates in β ladder)trans-92.9-45.8-177.400000111.7L261 R263 F298 E362 Y363L261-A300 HydrophobicContact CD2-CB 4.28Å; L261-A300 HydrophobicContact CG-CB 4.39Å; L261-A300 PolarHBondContact O-N 3.24Å; R263-A300 HydrophobicContact CG-CB 3.86Å; F298-A300 PolarHBondContact O-N 2.62Å; A300-E362 WeakPolarHBondContact O-CA 3.44Å; A300-Y363 PolarHBondContact O-N 2.85Å
301A92.8Very high82Confident0 Ų054.1 Ų54.10%028%0.283CS..EExtended strand (participates in β ladder)trans-151.2165.8177.600000111.8L261 W319 E346 W360 A361 E362L261-A301 HydrophobicContact CB-CB 4.36Å; L261-A301 HydrophobicContact CD2-CB 4.34Å; L261-A301 PolarHBondContact N-O 3.08Å; L261-A301 PolarHBondContact O-N 2.92Å; L261-A301 VanDerWaalsContact O-N 3.16Å; A301-W319 HydrophobicContact CB-CH2 4.45Å; A301-E346 HydrophobicContact CB-CG 4.22Å; A301-W360 HydrophobicContact CB-CH2 3.63Å; A301-W360 HydrophobicContact CB-CZ2 3.55Å; A301-A361 CarbonylContact C-O 3.55Å; A301-A361 VanDerWaalsContact CA-O 3.28Å; A301-A361 WeakPolarHBondContact CA-O 3.24Å; A301-E362 HydrophobicContact CB-CB 3.75Å
302C94Very high83.7Confident9 Ų950.8 Ų50.86%0.06126%0.259CS..EExtended strand (participates in β ladder)trans-150.8133.6176.8-1710000110.6I282 A361I282-C302 HydrophobicContact CD1-CB 4.36Å; I282-C302 WeakPolarHBondContact CD1-SG 3.43Å; C302-A361 PolarHBondContact N-O 3.41Å; C302-A361 PolarHBondContact O-N 3.14Å
303A95.3Very high85.4Confident0 Ų044.8 Ų44.80%023%0.233CC..EExtended strand (participates in β ladder)trans-96145.6164.700000110.5Y258 V259 F306 F315 W360Y258-A303 WeakPolarHBondContact CA-O 3.31Å; V259-A303 HydrophobicContact CB-CB 4.37Å; V259-A303 PolarHBondContact N-O 2.78Å; V259-A303 PolarHBondContact O-N 2.95Å; A303-F306 HydrophobicContact CB-CE2 3.88Å; A303-F306 HydrophobicContact CB-CZ 3.93Å; A303-F315 HydrophobicContact CB-CD1 3.7Å; A303-F315 HydrophobicContact CB-CE1 3.22Å; A303-F315 HydrophobicContact CB-CE2 4.16Å; A303-F315 HydrophobicContact CB-CG 4.36Å; A303-F315 HydrophobicContact CB-CZ 3.49Å; A303-F315 VanDerWaalsContact CB-CZ 3.49Å; A303-W360 HydrophobicContact CB-CE3 3.92Å; A303-W360 HydrophobicContact CB-CZ3 4.04Å
304G91.4Very high87.3Confident5 Ų543.9 Ų43.95%0.05222%0.224CC..EExtended strand (participates in β ladder)trans111.6174.3-176.800000112.8P359G304-P359 PolarHBondContact N-O 2.86Å; G304-P359 WeakPolarHBondContact O-CB 3.28Å
305P89.1Confident89.2Confident51 Ų5140.7 Ų40.733%0.33120%0.204SC..EExtended strand (participates in β ladder)cis-73.413817.229.1-36.9000114.1C256 Y258C256-P305 HydrophobicContact CB-CB 3.47Å; C256-P305 VanDerWaalsContact CB-CB 3.47Å; C256-P305 VanDerWaalsContact SG-CB 3.51Å; Y258-P305 HydrophobicContact CD1-CB 4.47Å; Y258-P305 HydrophobicContact CE1-CB 3.69Å; Y258-P305 HydrophobicContact CE1-CG 4.38Å
306F88.7Confident90.4Very high13 Ų1339.1 Ų39.16%0.05719%0.194CC..EExtended strand (participates in β ladder)trans-97.3140.8165.5-60-89.8000109.4C256 Y257 V259 A303 K311 A312 F315 C358C256-F306 WeakPolarHBondContact CA-O 3.47Å; Y257-F306 PolarHBondContact N-O 2.79Å; Y257-F306 WeakPolarHBondContact O-CD2 3.28Å; Y257-F306 PolarHBondContact O-N 3.41Å; V259-F306 HydrophobicContact CG2-CE2 3.99Å; A303-F306 HydrophobicContact CB-CE2 3.88Å; A303-F306 HydrophobicContact CB-CZ 3.93Å; F306-K311 HydrophobicContact CD1-CB 4.1Å; F306-A312 HydrophobicContact CB-CB 3.98Å; F306-A312 HydrophobicContact CD2-CB 3.64Å; F306-A312 HydrophobicContact CE2-CB 4.28Å; F306-A312 HydrophobicContact CG-CB 3.84Å; F306-F315 HydrophobicContact CE1-CB 4.06Å; F306-F315 HydrophobicContact CE1-CD2 4.31Å; F306-F315 HydrophobicContact CE1-CG 4.32Å; F306-F315 HydrophobicContact CE2-CB 4.44Å; F306-F315 HydrophobicContact CE2-CG 4.47Å; F306-F315 HydrophobicContact CZ-CB 3.65Å; F306-F315 HydrophobicContact CZ-CD1 4.18Å; F306-F315 AromaticContact CZ-CD2 3.84Å; F306-F315 HydrophobicContact CZ-CD2 3.84Å; F306-F315 AromaticContact CZ-CG 3.62Å; F306-F315 HydrophobicContact CZ-CG 3.62Å; F306-C358 HydrophobicContact CD1-CB 4.35Å; F306-C358 HydrophobicContact CE1-CB 3.57Å; F306-C358 HydrophobicContact CZ-CB 3.97Å
307D80.6Confident91Very high96 Ų9640.7 Ų40.751%0.51320%0.204SC..SBendtrans-77.1-23.1177.555.1-12.3000113.2K311D307-K311 VanDerWaalsContact CG-NZ 3.31Å; D307-K311 WeakPolarHBondContact OD1-CD 3.24Å; D307-K311 IonicContact OD1-NZ 2.66Å; D307-K311 PolarHBondContact OD1-NZ 2.96Å; D307-K311 IonicContact OD2-NZ 3.43Å; D307-K311 PolarHBondContact OD2-NZ 3.07Å
308E83.8Confident91.4Very high90 Ų9041.1 Ų41.142%0.42121%0.209SC..SBendtrans-130.1136.3-177.2-66.9166.1-142.800111E310 K311 A312E308-E310 VanDerWaalsContact C-N 3.27Å; E308-E310 PolarHBondContact O-N 2.82Å; E308-K311 HydrophobicContact CB-CB 4.4Å; E308-K311 HydrophobicContact CB-CD 4.23Å; E308-K311 HydrophobicContact CB-CG 4.16Å; E308-K311 VanDerWaalsContact CD-NZ 3.28Å; E308-K311 PolarHBondContact O-N 3.28Å; E308-K311 VanDerWaalsContact OE1-CE 3.28Å; E308-K311 WeakPolarHBondContact OE1-CE 3.2Å; E308-K311 IonicContact OE1-NZ 3.8Å; E308-K311 PolarHBondContact OE1-NZ 3.08Å; E308-K311 VanDerWaalsContact OE2-CE 3.28Å; E308-K311 WeakPolarHBondContact OE2-CE 3.16Å; E308-K311 IonicContact OE2-NZ 2.76Å; E308-A312 PolarHBondContact O-N 3.32Å
309D85.4Confident91.7Very high75 Ų7540.2 Ų40.240%0.40121%0.205SC..Hα-helixtrans-58.8-39.6175.8-171.542.2000111.8Y257 K311 A312 L313Y257-D309 HydrophobicContact CD1-CB 3.87Å; Y257-D309 VanDerWaalsContact CD1-OD1 3.25Å; Y257-D309 WeakPolarHBondContact CD1-OD1 3.3Å; Y257-D309 HydrophobicContact CD2-CB 4.32Å; Y257-D309 HydrophobicContact CE1-CB 3.5Å; Y257-D309 WeakPolarHBondContact CE1-OD1 3.26Å; Y257-D309 HydrophobicContact CE2-CB 4.01Å; Y257-D309 HydrophobicContact CG-CB 4.26Å; D309-K311 VanDerWaalsContact C-N 3.32Å; D309-K311 PolarHBondContact O-N 3.33Å; D309-A312 WeakPolarHBondContact O-CB 3.43Å; D309-A312 PolarHBondContact O-N 3.3Å; D309-A312 VanDerWaalsContact O-N 3.15Å; D309-L313 WeakPolarHBondContact O-CB 2.92Å; D309-L313 PolarHBondContact O-N 3.48Å
310E91.6Very high91.6Very high113 Ų11343 Ų4353%0.52822%0.217SC..Hα-helixtrans-62.1-38.9-179.5-166.3-170.5151.600111.9E308 L313 K314E308-E310 VanDerWaalsContact C-N 3.27Å; E308-E310 PolarHBondContact O-N 2.82Å; E310-L313 PolarHBondContact O-N 2.95Å; E310-K314 WeakPolarHBondContact O-CB 3.43Å; E310-K314 VanDerWaalsContact O-CG 3.28Å; E310-K314 WeakPolarHBondContact O-CG 3.31Å; E310-K314 PolarHBondContact O-N 3.44Å; E310-K314 WeakPolarHBondContact OE1-CE 3.4Å; E310-K314 IonicContact OE1-NZ 2.65Å; E310-K314 PolarHBondContact OE1-NZ 3.02Å
311K93.1Very high91.4Very high74 Ų7447.7 Ų47.732%0.32224%0.238SC..Hα-helixtrans-67.2-41.5175.5-69.1178.6-168.31510111.3F306 D307 E308 D309 K314 F315F306-K311 HydrophobicContact CD1-CB 4.1Å; D307-K311 VanDerWaalsContact CG-NZ 3.31Å; D307-K311 WeakPolarHBondContact OD1-CD 3.24Å; D307-K311 IonicContact OD1-NZ 2.66Å; D307-K311 PolarHBondContact OD1-NZ 2.96Å; D307-K311 IonicContact OD2-NZ 3.43Å; D307-K311 PolarHBondContact OD2-NZ 3.07Å; E308-K311 HydrophobicContact CB-CB 4.4Å; E308-K311 HydrophobicContact CB-CD 4.23Å; E308-K311 HydrophobicContact CB-CG 4.16Å; E308-K311 VanDerWaalsContact CD-NZ 3.28Å; E308-K311 PolarHBondContact O-N 3.28Å; E308-K311 VanDerWaalsContact OE1-CE 3.28Å; E308-K311 WeakPolarHBondContact OE1-CE 3.2Å; E308-K311 IonicContact OE1-NZ 3.8Å; E308-K311 PolarHBondContact OE1-NZ 3.08Å; E308-K311 VanDerWaalsContact OE2-CE 3.28Å; E308-K311 WeakPolarHBondContact OE2-CE 3.16Å; E308-K311 IonicContact OE2-NZ 2.76Å; D309-K311 VanDerWaalsContact C-N 3.32Å; D309-K311 PolarHBondContact O-N 3.33Å; K311-K314 PolarHBondContact O-N 3.47Å; K311-F315 PolarHBondContact O-N 3.21Å
312A93.3Very high91.1Very high0 Ų050.3 Ų50.30%025%0.252CS..Hα-helixtrans-62.9-43175.200000111.5V259 P278 F306 E308 D309 F315 Y316V259-A312 HydrophobicContact CG2-CB 4.11Å; V259-A312 WeakPolarHBondContact CG2-O 3.28Å; P278-A312 HydrophobicContact CB-CB 3.85Å; P278-A312 HydrophobicContact CG-CB 3.87Å; F306-A312 HydrophobicContact CB-CB 3.98Å; F306-A312 HydrophobicContact CD2-CB 3.64Å; F306-A312 HydrophobicContact CE2-CB 4.28Å; F306-A312 HydrophobicContact CG-CB 3.84Å; E308-A312 PolarHBondContact O-N 3.32Å; D309-A312 WeakPolarHBondContact O-CB 3.43Å; D309-A312 PolarHBondContact O-N 3.3Å; D309-A312 VanDerWaalsContact O-N 3.15Å; A312-F315 WeakPolarHBondContact O-CB 3.49Å; A312-F315 PolarHBondContact O-N 2.72Å; A312-Y316 PolarHBondContact O-N 3.47Å
313L95.2Very high90.4Very high75 Ų7549.9 Ų49.939%0.39325%0.249SC..Hα-helixtrans-65.6-40.4177.9-171.364.6000111.9P278 D309 E310 F315 Y316 N317P278-L313 HydrophobicContact CG-CB 4.24Å; P278-L313 HydrophobicContact CG-CD1 4.26Å; D309-L313 WeakPolarHBondContact O-CB 2.92Å; D309-L313 PolarHBondContact O-N 3.48Å; E310-L313 PolarHBondContact O-N 2.95Å; L313-F315 VanDerWaalsContact C-N 3.34Å; L313-F315 PolarHBondContact O-N 3.35Å; L313-Y316 HydrophobicContact CD1-CD1 4.25Å; L313-Y316 PolarHBondContact O-N 3.21Å; L313-N317 WeakPolarHBondContact O-CB 3.48Å; L313-N317 PolarHBondContact O-N 2.85Å; L313-N317 PolarHBondContact O-ND2 3.08Å
314K97.1Very high89.4Confident112 Ų11252.7 Ų52.749%0.48727%0.268SS..Hα-helixtrans-58.6-44.9171.6-78170.6-177.3165.80111.4E310 K311 A318 M356E310-K314 WeakPolarHBondContact O-CB 3.43Å; E310-K314 VanDerWaalsContact O-CG 3.28Å; E310-K314 WeakPolarHBondContact O-CG 3.31Å; E310-K314 PolarHBondContact O-N 3.44Å; E310-K314 WeakPolarHBondContact OE1-CE 3.4Å; E310-K314 IonicContact OE1-NZ 2.65Å; E310-K314 PolarHBondContact OE1-NZ 3.02Å; K311-K314 PolarHBondContact O-N 3.47Å; K314-A318 WeakPolarHBondContact O-CB 3.47Å; K314-A318 PolarHBondContact O-N 3.26Å; K314-M356 HydrophobicContact CB-CE 4.21Å
315F97.1Very high88.3Confident0 Ų060.9 Ų60.90%030%0.299CS..Hα-helixtrans-62.6-48.9176.5-171.6-83.6000111.8V259 A303 F306 K311 A312 L313 N317 A318 W319 L352 M356 C358 W360V259-F315 HydrophobicContact CB-CD1 4.28Å; V259-F315 HydrophobicContact CG1-CD1 4.34Å; V259-F315 HydrophobicContact CG2-CD1 4.4Å; A303-F315 HydrophobicContact CB-CD1 3.7Å; A303-F315 HydrophobicContact CB-CE1 3.22Å; A303-F315 HydrophobicContact CB-CE2 4.16Å; A303-F315 HydrophobicContact CB-CG 4.36Å; A303-F315 HydrophobicContact CB-CZ 3.49Å; A303-F315 VanDerWaalsContact CB-CZ 3.49Å; F306-F315 HydrophobicContact CE1-CB 4.06Å; F306-F315 HydrophobicContact CE1-CD2 4.31Å; F306-F315 HydrophobicContact CE1-CG 4.32Å; F306-F315 HydrophobicContact CE2-CB 4.44Å; F306-F315 HydrophobicContact CE2-CG 4.47Å; F306-F315 HydrophobicContact CZ-CB 3.65Å; F306-F315 HydrophobicContact CZ-CD1 4.18Å; F306-F315 AromaticContact CZ-CD2 3.84Å; F306-F315 HydrophobicContact CZ-CD2 3.84Å; F306-F315 AromaticContact CZ-CG 3.62Å; F306-F315 HydrophobicContact CZ-CG 3.62Å; K311-F315 PolarHBondContact O-N 3.21Å; A312-F315 WeakPolarHBondContact O-CB 3.49Å; A312-F315 PolarHBondContact O-N 2.72Å; L313-F315 VanDerWaalsContact C-N 3.34Å; L313-F315 PolarHBondContact O-N 3.35Å; F315-N317 PolarHBondContact O-N 2.97Å; F315-A318 PolarHBondContact O-N 2.88Å; F315-W319 HydrophobicContact CD1-CE3 4.15Å; F315-W319 HydrophobicContact CE1-CB 4.48Å; F315-W319 HydrophobicContact CE1-CD2 4.19Å; F315-W319 AromaticContact CE1-CE3 3.5Å; F315-W319 HydrophobicContact CE1-CE3 3.5Å; F315-W319 HydrophobicContact CE1-CZ3 4.01Å; F315-W319 WeakPolarHBondContact O-CB 3.3Å; F315-W319 PolarHBondContact O-N 3.03Å; F315-L352 HydrophobicContact CD1-CD2 4.19Å; F315-L352 HydrophobicContact CD2-CD2 3.93Å; F315-L352 HydrophobicContact CD2-CG 3.96Å; F315-L352 HydrophobicContact CE1-CD2 4.01Å; F315-L352 HydrophobicContact CE2-CB 3.99Å; F315-L352 HydrophobicContact CE2-CD2 3.75Å; F315-L352 HydrophobicContact CE2-CG 3.56Å; F315-L352 HydrophobicContact CG-CD2 4.15Å; F315-L352 HydrophobicContact CZ-CB 4.06Å; F315-L352 HydrophobicContact CZ-CD2 3.79Å; F315-L352 HydrophobicContact CZ-CG 3.95Å; F315-L352 WeakPolarHBondContact O-CD2 3.31Å; F315-M356 HydrophobicContact CB-CE 4.22Å; F315-M356 HydrophobicContact CB-SD 4.2Å; F315-M356 HydrophobicContact CD2-CB 4.36Å; F315-M356 HydrophobicContact CD2-CE 4.42Å; F315-M356 HydrophobicContact CD2-CG 4.5Å; F315-M356 HydrophobicContact CD2-SD 3.64Å; F315-M356 HydrophobicContact CE2-SD 4.45Å; F315-M356 HydrophobicContact CG-SD 4.3Å; F315-C358 WeakPolarHBondContact CE2-SG 3.37Å; F315-W360 HydrophobicContact CZ-CZ3 4.29Å
316Y95.2Very high87.1Confident16 Ų1659.9 Ų59.96%0.06329%0.293CS..Hα-helixtrans-56.1-48.5177.7167-100.7000112V259 L275 Q276 P277 A312 L313 A318 W319 K320V259-Y316 HydrophobicContact CG1-CD2 4.05Å; V259-Y316 HydrophobicContact CG1-CG 4.47Å; L275-Y316 HydrophobicContact CD2-CD2 3.98Å; L275-Y316 HydrophobicContact CD2-CE2 4.02Å; L275-Y316 HydrophobicContact CG-CD2 3.93Å; L275-Y316 HydrophobicContact CG-CE2 3.85Å; Q276-Y316 WeakPolarHBondContact O-CD2 3.43Å; P277-Y316 HydrophobicContact CB-CE2 4.45Å; P277-Y316 HydrophobicContact CG-CE1 4.46Å; P277-Y316 HydrophobicContact CG-CE2 4.21Å; A312-Y316 PolarHBondContact O-N 3.47Å; L313-Y316 HydrophobicContact CD1-CD1 4.25Å; L313-Y316 PolarHBondContact O-N 3.21Å; Y316-A318 PolarHBondContact O-N 2.74Å; Y316-W319 PolarHBondContact O-N 2.83Å; Y316-K320 HydrophobicContact CE1-CD 4.3Å; Y316-K320 VanDerWaalsContact O-CB 3.3Å; Y316-K320 WeakPolarHBondContact O-CB 3.41Å; Y316-K320 PolarHBondContact O-N 3.47Å
317N94.2Very high85.8Confident83 Ų8359.7 Ų59.744%0.44429%0.293SS..Hα-helixtrans-63.3-42179.2-73.3-30.9000112L313 F315 K320 Q321L313-N317 WeakPolarHBondContact O-CB 3.48Å; L313-N317 PolarHBondContact O-N 2.85Å; L313-N317 PolarHBondContact O-ND2 3.08Å; F315-N317 PolarHBondContact O-N 2.97Å; N317-K320 PolarHBondContact O-N 2.91Å; N317-Q321 VanDerWaalsContact O-CB 3.24Å; N317-Q321 WeakPolarHBondContact O-CB 3.46Å; N317-Q321 PolarHBondContact O-N 3.25Å
318A93.9Very high84.7Confident17 Ų1763.4 Ų63.414%0.1430%0.304CS..Hα-helixtrans-65.7-39.1176.500000112.2K314 F315 Y316 Q321 L322 L352K314-A318 WeakPolarHBondContact O-CB 3.47Å; K314-A318 PolarHBondContact O-N 3.26Å; F315-A318 PolarHBondContact O-N 2.88Å; Y316-A318 PolarHBondContact O-N 2.74Å; A318-Q321 PolarHBondContact O-N 2.89Å; A318-L322 VanDerWaalsContact O-CG 3.3Å; A318-L322 WeakPolarHBondContact O-CG 3.04Å; A318-L322 PolarHBondContact O-N 2.9Å; A318-L352 HydrophobicContact CB-CD1 3.93Å; A318-L352 HydrophobicContact CB-CD2 3.83Å
319W92.8Very high83.3Confident0 Ų064 Ų640%032%0.316CS..Hα-helixtrans-67.2-46176.5-166.1-1000111.2V259 L261 L275 A301 F315 Y316 Q321 L322 A323 M345 L352 W360V259-W319 HydrophobicContact CG1-CE3 4.04Å; V259-W319 HydrophobicContact CG1-CZ3 4.23Å; L261-W319 HydrophobicContact CB-CH2 3.49Å; L261-W319 VanDerWaalsContact CB-CH2 3.49Å; L261-W319 HydrophobicContact CB-CZ2 3.94Å; L261-W319 HydrophobicContact CB-CZ3 4.27Å; L261-W319 HydrophobicContact CD1-CZ2 4.41Å; L261-W319 HydrophobicContact CD2-CH2 4.15Å; L261-W319 HydrophobicContact CD2-CZ2 3.77Å; L261-W319 HydrophobicContact CG-CH2 4.31Å; L261-W319 HydrophobicContact CG-CZ2 4.26Å; L275-W319 HydrophobicContact CD1-CD2 3.75Å; L275-W319 HydrophobicContact CD1-CE3 3.31Å; L275-W319 HydrophobicContact CD1-CG 4.5Å; L275-W319 HydrophobicContact CD1-CH2 4.08Å; L275-W319 HydrophobicContact CD1-CZ2 4.44Å; L275-W319 HydrophobicContact CD1-CZ3 3.5Å; L275-W319 VanDerWaalsContact CD1-CZ3 3.5Å; L275-W319 HydrophobicContact CD2-CB 4.01Å; L275-W319 HydrophobicContact CD2-CD2 4.03Å; L275-W319 HydrophobicContact CD2-CE3 4.24Å; L275-W319 HydrophobicContact CD2-CG 3.91Å; L275-W319 HydrophobicContact CG-CE3 4.43Å; A301-W319 HydrophobicContact CB-CH2 4.45Å; F315-W319 HydrophobicContact CD1-CE3 4.15Å; F315-W319 HydrophobicContact CE1-CB 4.48Å; F315-W319 HydrophobicContact CE1-CD2 4.19Å; F315-W319 AromaticContact CE1-CE3 3.5Å; F315-W319 HydrophobicContact CE1-CE3 3.5Å; F315-W319 HydrophobicContact CE1-CZ3 4.01Å; F315-W319 WeakPolarHBondContact O-CB 3.3Å; F315-W319 PolarHBondContact O-N 3.03Å; Y316-W319 PolarHBondContact O-N 2.83Å; W319-Q321 VanDerWaalsContact C-N 3.3Å; W319-Q321 PolarHBondContact O-N 3.1Å; W319-L322 PolarHBondContact O-N 3Å; W319-A323 WeakPolarHBondContact O-CB 3.29Å; W319-A323 PolarHBondContact O-N 3.35Å; W319-M345 WeakPolarHBondContact CZ2-O 3.23Å; W319-M345 PolarHBondContact NE1-O 3.48Å; W319-M345 VanDerWaalsContact NE1-O 3.1Å; W319-L352 HydrophobicContact CB-CD2 3.76Å; W319-L352 HydrophobicContact CG-CD2 4.49Å; W319-W360 AromaticContact CH2-CH2 3.39Å; W319-W360 HydrophobicContact CH2-CH2 3.39Å; W319-W360 AromaticContact CH2-CZ3 3.62Å; W319-W360 HydrophobicContact CH2-CZ3 3.62Å; W319-W360 AromaticContact CZ2-CH2 3.63Å; W319-W360 HydrophobicContact CZ2-CH2 3.63Å; W319-W360 HydrophobicContact CZ2-CZ3 4.18Å; W319-W360 HydrophobicContact CZ3-CH2 4.17Å; W319-W360 AromaticContact CZ3-CZ3 3.93Å; W319-W360 HydrophobicContact CZ3-CZ3 3.93Å
320K87.9Confident81.9Confident71 Ų7164.2 Ų64.231%0.30932%0.316SS..Hα-helixtrans-58.6-41.7174.3-177.6170.6-173.3167.70111.7L275 Y316 N317 A323 S324 L336L275-K320 HydrophobicContact CD2-CB 4.24Å; Y316-K320 HydrophobicContact CE1-CD 4.3Å; Y316-K320 VanDerWaalsContact O-CB 3.3Å; Y316-K320 WeakPolarHBondContact O-CB 3.41Å; Y316-K320 PolarHBondContact O-N 3.47Å; N317-K320 PolarHBondContact O-N 2.91Å; K320-A323 PolarHBondContact O-N 3.29Å; K320-S324 VanDerWaalsContact O-CB 3.29Å; K320-S324 WeakPolarHBondContact O-CB 3.07Å; K320-S324 PolarHBondContact O-N 3.08Å; K320-S324 PolarHBondContact O-OG 3.32Å; K320-L336 HydrophobicContact CB-CD1 4.12Å; K320-L336 HydrophobicContact CG-CD1 3.67Å; K320-L336 HydrophobicContact CG-CD2 4.21Å; K320-L336 HydrophobicContact CG-CG 4.28Å
321Q87.1Confident79.8Confident101 Ų10168.2 Ų68.247%0.47233%0.332SS..Hα-helixtrans-64.4-48.2177.8-173.7-177.85.900111.3N317 A318 W319 A323 S324 Y325N317-Q321 VanDerWaalsContact O-CB 3.24Å; N317-Q321 WeakPolarHBondContact O-CB 3.46Å; N317-Q321 PolarHBondContact O-N 3.25Å; A318-Q321 PolarHBondContact O-N 2.89Å; W319-Q321 VanDerWaalsContact C-N 3.3Å; W319-Q321 PolarHBondContact O-N 3.1Å; Q321-A323 VanDerWaalsContact C-N 3.27Å; Q321-A323 PolarHBondContact O-N 3.49Å; Q321-S324 WeakPolarHBondContact CA-OG 3.28Å; Q321-S324 PolarHBondContact O-N 2.91Å; Q321-S324 VanDerWaalsContact O-N 3.11Å; Q321-S324 PolarHBondContact O-OG 2.97Å; Q321-Y325 HydrophobicContact CG-CD2 4.43Å; Q321-Y325 HydrophobicContact CG-CE2 3.63Å; Q321-Y325 PolarHBondContact NE2-OH 3.18Å; Q321-Y325 WeakPolarHBondContact O-CD2 3.29Å; Q321-Y325 PolarHBondContact O-N 3.44Å
322L85.7Confident77.6Confident56 Ų5671.1 Ų71.129%0.29336%0.358SS..Hα-helixtrans-57.3-42.6175.8-74173.1000111.7A318 W319 L352A318-L322 VanDerWaalsContact O-CG 3.3Å; A318-L322 WeakPolarHBondContact O-CG 3.04Å; A318-L322 PolarHBondContact O-N 2.9Å; W319-L322 PolarHBondContact O-N 3Å; L322-L352 HydrophobicContact CD1-CB 4.35Å; L322-L352 HydrophobicContact CD1-CD1 4.26Å; L322-L352 HydrophobicContact CD1-CD2 4.5Å
323A79.7Confident75.4Confident0 Ų075 Ų750%038%0.382CS..Hα-helixtrans-66.1-42.6175.100000111.8W319 K320 Q321 Y325 S326 M327 L336 M345W319-A323 WeakPolarHBondContact O-CB 3.29Å; W319-A323 PolarHBondContact O-N 3.35Å; K320-A323 PolarHBondContact O-N 3.29Å; Q321-A323 VanDerWaalsContact C-N 3.27Å; Q321-A323 PolarHBondContact O-N 3.49Å; A323-Y325 VanDerWaalsContact C-N 3.32Å; A323-Y325 PolarHBondContact O-N 2.95Å; A323-S326 CarbonylContact O-C 3.51Å; A323-S326 VanDerWaalsContact O-CA 3.3Å; A323-S326 WeakPolarHBondContact O-CA 3.46Å; A323-S326 VanDerWaalsContact O-CB 3.31Å; A323-S326 WeakPolarHBondContact O-CB 3.46Å; A323-S326 PolarHBondContact O-N 3.48Å; A323-M327 HydrophobicContact CB-SD 3.87Å; A323-M327 VanDerWaalsContact O-CB 3.23Å; A323-M327 WeakPolarHBondContact O-CB 3.41Å; A323-M327 PolarHBondContact O-N 3.28Å; A323-L336 HydrophobicContact CB-CD1 3.58Å; A323-M345 HydrophobicContact CB-CE 3.87Å; A323-M345 HydrophobicContact CB-SD 3.49Å; A323-M345 WeakPolarHBondContact CB-SD 3.43Å
324S74.5Confident73.2Confident59 Ų5973.9 Ų73.941%0.41338%0.384SS..Hα-helixtrans-66.1-27.8-175.472.10000114.6K320 Q321 S326K320-S324 VanDerWaalsContact O-CB 3.29Å; K320-S324 WeakPolarHBondContact O-CB 3.07Å; K320-S324 PolarHBondContact O-N 3.08Å; K320-S324 PolarHBondContact O-OG 3.32Å; Q321-S324 WeakPolarHBondContact CA-OG 3.28Å; Q321-S324 PolarHBondContact O-N 2.91Å; Q321-S324 VanDerWaalsContact O-N 3.11Å; Q321-S324 PolarHBondContact O-OG 2.97Å; S324-S326 PolarHBondContact O-N 2.81Å; S324-S326 VanDerWaalsContact O-N 3.15Å
325Y68.9Low71Confident177 Ų17768.9 Ų68.969%0.69436%0.364SS*.THydrogen-bonded Turntrans-62.8-18.2169.8-68.2-59.3000112.2Q321 A323Q321-Y325 HydrophobicContact CG-CD2 4.43Å; Q321-Y325 HydrophobicContact CG-CE2 3.63Å; Q321-Y325 PolarHBondContact NE2-OH 3.18Å; Q321-Y325 WeakPolarHBondContact O-CD2 3.29Å; Q321-Y325 PolarHBondContact O-N 3.44Å; A323-Y325 VanDerWaalsContact C-N 3.32Å; A323-Y325 PolarHBondContact O-N 2.95Å
326S63.3Low68.8Low30 Ų3069.2 Ų69.221%0.2137%0.365CS..THydrogen-bonded Turntrans-118.6-20.5-171.9-126.10000113.5A323 S324 K343 Y348A323-S326 CarbonylContact O-C 3.51Å; A323-S326 VanDerWaalsContact O-CA 3.3Å; A323-S326 WeakPolarHBondContact O-CA 3.46Å; A323-S326 VanDerWaalsContact O-CB 3.31Å; A323-S326 WeakPolarHBondContact O-CB 3.46Å; A323-S326 PolarHBondContact O-N 3.48Å; S324-S326 PolarHBondContact O-N 2.81Å; S324-S326 VanDerWaalsContact O-N 3.15Å; S326-K343 PolarHBondContact O-NZ 3.44Å; S326-K343 WeakPolarHBondContact OG-CD 3.33Å; S326-K343 WeakPolarHBondContact OG-CE 3.47Å; S326-K343 PolarHBondContact OG-NZ 3.41Å; S326-Y348 PolarHBondContact OG-OH 2.84Å
327M62.6Low66.5Low9 Ų971.1 Ų71.14%0.04437%0.373CS..SBendtrans-132.4145.9-166.3-69.8170.478.700111F273 A323 L336 Y337 M345F273-M327 HydrophobicContact CB-CE 4.35Å; F273-M327 HydrophobicContact CD2-CE 4.3Å; A323-M327 HydrophobicContact CB-SD 3.87Å; A323-M327 VanDerWaalsContact O-CB 3.23Å; A323-M327 WeakPolarHBondContact O-CB 3.41Å; A323-M327 PolarHBondContact O-N 3.28Å; M327-L336 HydrophobicContact CE-CB 4.1Å; M327-Y337 VanDerWaalsContact CB-O 3.26Å; M327-Y337 WeakPolarHBondContact CB-O 3.41Å; M327-M345 HydrophobicContact CE-CG 4.14Å; M327-M345 HydrophobicContact CE-SD 4.12Å; M327-M345 HydrophobicContact SD-CG 3.99Å; M327-M345 HydrophobicContact SD-SD 3.47Å
328K57.2Low64.2Low174 Ų17467.2 Ų67.276%0.75735%0.352SS*.EExtended strand (participates in β ladder)trans-93.4141.2177.5-70.8-176.9179.3176.90110.4Y337K328-Y337 PolarHBondContact N-O 2.98Å; K328-Y337 PolarHBondContact O-N 3.17Å
329P54.7Low61.8Low103 Ų10375 Ų7567%0.66938%0.383SS*.EExtended strand (participates in β ladder)trans-70.3140.6175.827.4-32.5000111.6
330I54.2Low59.6Low79 Ų7977.6 Ų77.641%0.40540%0.397SS..PPolyproline II helixtrans-84.5140.1165.9-68.6177.1000108.6Y337I330-Y337 HydrophobicContact CD1-CD2 3.82Å; I330-Y337 HydrophobicContact CD1-CG 3.96Å; I330-Y337 HydrophobicContact CG1-CG 4.41Å
331K47.7Very low57.7Low197 Ų19776.8 Ų76.886%0.85740%0.399SS*.SBendtrans-99.3133.4166.6-67.9-178.5178.7179.30108.7
332P47Very low55.9Low134 Ų13479.5 Ų79.587%0.8741%0.406SS*.SBendcis-11517.2538.2-24.1000113.9
333T48Very low54.6Low82 Ų8279.3 Ų79.350%0.50340%0.403SS..SBendtrans-82.3150.9176.7550000110.7G335T333-G335 PolarHBondContact O-N 3.22Å
334A49.2Very low54.3Low52 Ų5280.6 Ų80.643%0.4341%0.41SS..SBendtrans-66.26.3177.600000114.5
335G50.3Low54.9Low6 Ų677.8 Ų77.86%0.06239%0.39CS..  trans-74.9158.7-176.900000114.2T333T333-G335 PolarHBondContact O-N 3.22Å
336L51.5Low55.9Low7 Ų770.4 Ų70.44%0.03736%0.362CS..EExtended strand (participates in β ladder)trans-117.6133.9173.7-68.1171.2000108.1L275 K320 A323 M327L275-L336 HydrophobicContact CD2-CD1 4.43Å; K320-L336 HydrophobicContact CB-CD1 4.12Å; K320-L336 HydrophobicContact CG-CD1 3.67Å; K320-L336 HydrophobicContact CG-CD2 4.21Å; K320-L336 HydrophobicContact CG-CG 4.28Å; A323-L336 HydrophobicContact CB-CD1 3.58Å; M327-L336 HydrophobicContact CE-CB 4.1Å
337Y46.6Very low57.2Low56 Ų5672.4 Ų72.422%0.2237%0.365CS..EExtended strand (participates in β ladder)trans-117.4136.3-178.4-176.7-83.9000111.9D272 M327 K328 I330 F339D272-Y337 HydrophobicContact CB-CD2 4.45Å; D272-Y337 HydrophobicContact CB-CE2 4.13Å; D272-Y337 WeakPolarHBondContact OD1-CE2 3.13Å; D272-Y337 VanDerWaalsContact OD1-CZ 3.27Å; D272-Y337 PolarHBondContact OD1-OH 3.01Å; M327-Y337 VanDerWaalsContact CB-O 3.26Å; M327-Y337 WeakPolarHBondContact CB-O 3.41Å; K328-Y337 PolarHBondContact N-O 2.98Å; K328-Y337 PolarHBondContact O-N 3.17Å; I330-Y337 HydrophobicContact CD1-CD2 3.82Å; I330-Y337 HydrophobicContact CD1-CG 3.96Å; I330-Y337 HydrophobicContact CG1-CG 4.41Å; Y337-F339 AromaticContact CD1-CD2 3.72Å; Y337-F339 HydrophobicContact CD1-CD2 3.72Å; Y337-F339 AromaticContact CD1-CE2 3.72Å; Y337-F339 HydrophobicContact CD1-CE2 3.72Å; Y337-F339 HydrophobicContact CD1-CG 4.26Å; Y337-F339 HydrophobicContact CD1-CZ 4.26Å; Y337-F339 HydrophobicContact CE1-CB 4.28Å; Y337-F339 AromaticContact CE1-CD1 3.68Å; Y337-F339 HydrophobicContact CE1-CD1 3.68Å; Y337-F339 AromaticContact CE1-CD2 3.39Å; Y337-F339 HydrophobicContact CE1-CD2 3.39Å; Y337-F339 AromaticContact CE1-CE1 3.69Å; Y337-F339 HydrophobicContact CE1-CE1 3.69Å; Y337-F339 AromaticContact CE1-CE2 3.4Å; Y337-F339 HydrophobicContact CE1-CE2 3.4Å; Y337-F339 AromaticContact CE1-CG 3.53Å; Y337-F339 HydrophobicContact CE1-CG 3.53Å; Y337-F339 AromaticContact CE1-CZ 3.55Å; Y337-F339 HydrophobicContact CE1-CZ 3.55Å
338S45.7Very low58.5Low2 Ų274.8 Ų74.81%0.01437%0.374CS..  trans-109.5128.3171.1-169.90000109D340S338-D340 PolarHBondContact OG-N 3.35Å; S338-D340 PolarHBondContact OG-O 3.01Å
339F42.9Very low60.2Low179 Ų17966.5 Ų66.579%0.78534%0.338SS*.SBendtrans-83.3-1.7162.4-84.2-75.7000112.3Y337 P341Y337-F339 AromaticContact CD1-CD2 3.72Å; Y337-F339 HydrophobicContact CD1-CD2 3.72Å; Y337-F339 AromaticContact CD1-CE2 3.72Å; Y337-F339 HydrophobicContact CD1-CE2 3.72Å; Y337-F339 HydrophobicContact CD1-CG 4.26Å; Y337-F339 HydrophobicContact CD1-CZ 4.26Å; Y337-F339 HydrophobicContact CE1-CB 4.28Å; Y337-F339 AromaticContact CE1-CD1 3.68Å; Y337-F339 HydrophobicContact CE1-CD1 3.68Å; Y337-F339 AromaticContact CE1-CD2 3.39Å; Y337-F339 HydrophobicContact CE1-CD2 3.39Å; Y337-F339 AromaticContact CE1-CE1 3.69Å; Y337-F339 HydrophobicContact CE1-CE1 3.69Å; Y337-F339 AromaticContact CE1-CE2 3.4Å; Y337-F339 HydrophobicContact CE1-CE2 3.4Å; Y337-F339 AromaticContact CE1-CG 3.53Å; Y337-F339 HydrophobicContact CE1-CG 3.53Å; Y337-F339 AromaticContact CE1-CZ 3.55Å; Y337-F339 HydrophobicContact CE1-CZ 3.55Å; F339-P341 WeakPolarHBondContact O-CD 3.44Å
340D47.4Very low62.1Low56 Ų5662.6 Ų62.630%0.29931%0.31SS..  trans-113.8101.1-176.6-173.4-6.1000108.9S338 Y342 K343S338-D340 PolarHBondContact OG-N 3.35Å; S338-D340 PolarHBondContact OG-O 3.01Å; D340-Y342 PolarHBondContact O-N 3.47Å; D340-Y342 VanDerWaalsContact O-N 3.11Å; D340-Y342 VanDerWaalsContact OD1-CB 3.29Å; D340-Y342 WeakPolarHBondContact OD1-CB 3.43Å; D340-Y342 WeakPolarHBondContact OD1-CD2 3.3Å; D340-Y342 PolarHBondContact OD1-N 3.27Å; D340-K343 HydrophobicContact CB-CD 3.77Å; D340-K343 HydrophobicContact CB-CG 3.95Å; D340-K343 PolarHBondContact O-N 2.79Å; D340-K343 VanDerWaalsContact O-N 3.1Å; D340-K343 WeakPolarHBondContact OD2-CE 3.28Å
341P48.2Very low63.9Low53 Ų5364.3 Ų64.334%0.34431%0.314SS..THydrogen-bonded Turntrans-61.4-15.6178.124.5-34.1000112.7D271 F339 K343D271-P341 HydrophobicContact CB-CB 4.32Å; D271-P341 VanDerWaalsContact OD1-CB 3.29Å; D271-P341 WeakPolarHBondContact OD1-CB 3.25Å; F339-P341 WeakPolarHBondContact O-CD 3.44Å; P341-K343 VanDerWaalsContact C-N 3.26Å; P341-K343 PolarHBondContact O-N 3.25Å
342Y48.5Very low66.1Low159 Ų15955 Ų5562%0.62427%0.274SS*.THydrogen-bonded Turntrans-82.4-2.6178.3-53.9-70.4000113.2D340 D344D340-Y342 PolarHBondContact O-N 3.47Å; D340-Y342 VanDerWaalsContact O-N 3.11Å; D340-Y342 VanDerWaalsContact OD1-CB 3.29Å; D340-Y342 WeakPolarHBondContact OD1-CB 3.43Å; D340-Y342 WeakPolarHBondContact OD1-CD2 3.3Å; D340-Y342 PolarHBondContact OD1-N 3.27Å; Y342-D344 PolarHBondContact O-N 3.31Å
343K59.1Low68.4Low51 Ų5148.8 Ų48.822%0.22223%0.233CC..SBendtrans-93.676176.7-67178.8179.6-1590110.5S326 D340 P341 M345 Y348S326-K343 PolarHBondContact O-NZ 3.44Å; S326-K343 WeakPolarHBondContact OG-CD 3.33Å; S326-K343 WeakPolarHBondContact OG-CE 3.47Å; S326-K343 PolarHBondContact OG-NZ 3.41Å; D340-K343 HydrophobicContact CB-CD 3.77Å; D340-K343 HydrophobicContact CB-CG 3.95Å; D340-K343 PolarHBondContact O-N 2.79Å; D340-K343 VanDerWaalsContact O-N 3.1Å; D340-K343 WeakPolarHBondContact OD2-CE 3.28Å; P341-K343 VanDerWaalsContact C-N 3.26Å; P341-K343 PolarHBondContact O-N 3.25Å; K343-M345 PolarHBondContact O-N 3.38Å; K343-Y348 HydrophobicContact CB-CE2 4.42Å
344D73.9Confident70.5Confident27 Ų2748.5 Ų48.514%0.14424%0.235CC..  trans-58.796.2-178.3-60.2-33.1000111.7Y342 E346 R347 Y348 K478Y342-D344 PolarHBondContact O-N 3.31Å; D344-E346 PolarHBondContact O-N 2.73Å; D344-R347 HydrophobicContact CB-CB 3.55Å; D344-R347 WeakPolarHBondContact O-CA 3.27Å; D344-R347 VanDerWaalsContact O-CB 3.28Å; D344-R347 WeakPolarHBondContact O-CB 3.47Å; D344-R347 PolarHBondContact O-N 2.92Å; D344-Y348 PolarHBondContact O-N 3.21Å; D344-Y348 VanDerWaalsContact O-N 3.13Å; D344-K478 IonicContact OD2-NZ 2.67Å
345M86.8Confident72.7Confident0 Ų054.1 Ų54.10%025%0.245CC..Hα-helixtrans-55.3-35.7175-81.5-68.8-78.200111.7L261 F273 L275 W319 A323 M327 K343 R347 Y348 G349L261-M345 HydrophobicContact CD1-CB 4.23Å; L261-M345 HydrophobicContact CD1-CE 3.8Å; L261-M345 HydrophobicContact CD2-CB 3.62Å; F273-M345 HydrophobicContact CB-CG 4.21Å; F273-M345 HydrophobicContact CD1-CB 3.86Å; F273-M345 HydrophobicContact CD1-CG 4Å; F273-M345 HydrophobicContact CD2-CG 3.9Å; F273-M345 HydrophobicContact CE1-CB 3.89Å; F273-M345 HydrophobicContact CE1-CG 4.3Å; F273-M345 HydrophobicContact CE2-CG 4.23Å; F273-M345 HydrophobicContact CG-CB 4.17Å; F273-M345 HydrophobicContact CG-CG 3.77Å; F273-M345 HydrophobicContact CZ-CB 4.25Å; F273-M345 HydrophobicContact CZ-CG 4.4Å; L275-M345 HydrophobicContact CB-CE 4.3Å; L275-M345 HydrophobicContact CD2-CE 4.47Å; W319-M345 WeakPolarHBondContact CZ2-O 3.23Å; W319-M345 PolarHBondContact NE1-O 3.48Å; W319-M345 VanDerWaalsContact NE1-O 3.1Å; A323-M345 HydrophobicContact CB-CE 3.87Å; A323-M345 HydrophobicContact CB-SD 3.49Å; A323-M345 WeakPolarHBondContact CB-SD 3.43Å; M327-M345 HydrophobicContact CE-CG 4.14Å; M327-M345 HydrophobicContact CE-SD 4.12Å; M327-M345 HydrophobicContact SD-CG 3.99Å; M327-M345 HydrophobicContact SD-SD 3.47Å; K343-M345 PolarHBondContact O-N 3.38Å; M345-R347 VanDerWaalsContact C-N 3.34Å; M345-Y348 PolarHBondContact O-N 2.76Å; M345-Y348 HydrophobicContact SD-CD2 4.26Å; M345-G349 PolarHBondContact O-N 3.07Å
346E90.4Very high74.7Confident23 Ų2357.3 Ų57.311%0.10726%0.259CS..Hα-helixtrans-59.8-42.3171.9-63.190.2156.300111.3L261 R263 A301 D344 Y348 G349 R350L261-E346 HydrophobicContact CD2-CG 4.26Å; R263-E346 IonicContact CZ-OE1 2.57Å; R263-E346 VanDerWaalsContact CZ-OE1 3.27Å; R263-E346 IonicContact NE-OE1 2.73Å; R263-E346 PolarHBondContact NE-OE1 3.04Å; R263-E346 IonicContact NH2-OE1 3.6Å; R263-E346 PolarHBondContact NH2-OE1 2.85Å; R263-E346 IonicContact NH2-OE2 3.53Å; R263-E346 PolarHBondContact NH2-OE2 2.87Å; A301-E346 HydrophobicContact CB-CG 4.22Å; D344-E346 PolarHBondContact O-N 2.73Å; E346-Y348 PolarHBondContact O-N 2.82Å; E346-G349 PolarHBondContact O-N 3.03Å; E346-R350 WeakPolarHBondContact O-CB 3.48Å; E346-R350 PolarHBondContact O-N 2.88Å
347R89.7Confident76.7Confident72 Ų7263.1 Ų63.127%0.27230%0.295SS..Hα-helixtrans-64.5-41.6176.9-170.4-179.3-175-157.73111.4D344 M345 K351 E485D344-R347 HydrophobicContact CB-CB 3.55Å; D344-R347 WeakPolarHBondContact O-CA 3.27Å; D344-R347 VanDerWaalsContact O-CB 3.28Å; D344-R347 WeakPolarHBondContact O-CB 3.47Å; D344-R347 PolarHBondContact O-N 2.92Å; M345-R347 VanDerWaalsContact C-N 3.34Å; R347-K351 WeakPolarHBondContact O-CB 3.33Å; R347-K351 WeakPolarHBondContact O-CG 3.49Å; R347-K351 PolarHBondContact O-N 3.28Å; R347-E485 IonicContact CZ-OE2 2.77Å; R347-E485 IonicContact NE-OE2 2.68Å; R347-E485 IonicContact NH2-OE2 3.96Å; R347-E485 PolarHBondContact NH2-OE2 3.29Å
348Y90.2Very high78.9Confident58 Ų5861.4 Ų61.423%0.22729%0.29CS..Hα-helixtrans-63.8-47.1176-62.5-43.2000111.6S326 K343 D344 M345 E346 K351 L352S326-Y348 PolarHBondContact OG-OH 2.84Å; K343-Y348 HydrophobicContact CB-CE2 4.42Å; D344-Y348 PolarHBondContact O-N 3.21Å; D344-Y348 VanDerWaalsContact O-N 3.13Å; M345-Y348 PolarHBondContact O-N 2.76Å; M345-Y348 HydrophobicContact SD-CD2 4.26Å; E346-Y348 PolarHBondContact O-N 2.82Å; Y348-K351 PolarHBondContact O-N 3.22Å; Y348-L352 WeakPolarHBondContact O-CB 3.16Å; Y348-L352 PolarHBondContact O-N 2.91Å
349G93.3Very high81.2Confident0 Ų064.3 Ų64.30%031%0.309CS..Hα-helixtrans-64.4-40.2177.200000112.9M345 E346 L352 S353 W360M345-G349 PolarHBondContact O-N 3.07Å; E346-G349 PolarHBondContact O-N 3.03Å; G349-L352 PolarHBondContact O-N 3.25Å; G349-S353 WeakPolarHBondContact O-CB 3.27Å; G349-S353 PolarHBondContact O-N 3.29Å; G349-S353 PolarHBondContact O-OG 3.21Å; G349-W360 VanDerWaalsContact CA-CH2 3.49Å
350R92.9Very high83.7Confident22 Ų2256.1 Ų56.18%0.08327%0.273CS..Hα-helixtrans-60.7-50.1174.2-167.8-173.1-47124.213.3111.1E346 L352 S353 S354 W360 E362 R374E346-R350 WeakPolarHBondContact O-CB 3.48Å; E346-R350 PolarHBondContact O-N 2.88Å; R350-L352 VanDerWaalsContact C-N 3.3Å; R350-L352 PolarHBondContact O-N 3.24Å; R350-S353 PolarHBondContact O-N 3.44Å; R350-S353 PolarHBondContact O-OG 3.08Å; R350-S354 PolarHBondContact O-N 3.21Å; R350-S354 VanDerWaalsContact O-N 3.14Å; R350-W360 HydrophobicContact CB-CZ2 4.33Å; R350-E362 IonicContact CZ-OE1 3.32Å; R350-E362 VanDerWaalsContact CZ-OE1 3.31Å; R350-E362 IonicContact CZ-OE2 3.67Å; R350-E362 IonicContact NE-OE1 3.67Å; R350-E362 PolarHBondContact NE-OE1 2.93Å; R350-E362 IonicContact NE-OE2 3.43Å; R350-E362 PolarHBondContact NE-OE2 3.05Å; R350-E362 VanDerWaalsContact NE-OE2 3.16Å; R350-E362 IonicContact NH2-OE1 2.72Å; R350-E362 PolarHBondContact NH2-OE1 3.42Å; R350-E362 VanDerWaalsContact NH2-OE1 3.13Å; R350-E362 IonicContact NH2-OE2 2.82Å; R350-E362 PolarHBondContact NH2-OE2 2.94Å; R350-R374 VanDerWaalsContact CG-CZ 3.44Å; R350-R374 VanDerWaalsContact CG-NH1 3.3Å; R350-R374 PolarHBondContact O-NH1 3.37Å
351K91.8Very high85.9Confident115 Ų11554 Ų5450%0.526%0.264SS..Hα-helixtrans-60-41.3175.6-74.5178.8178.9-178.60111.8R347 Y348 S354 R355R347-K351 WeakPolarHBondContact O-CB 3.33Å; R347-K351 WeakPolarHBondContact O-CG 3.49Å; R347-K351 PolarHBondContact O-N 3.28Å; Y348-K351 PolarHBondContact O-N 3.22Å; K351-S354 PolarHBondContact O-N 2.84Å; K351-R355 PolarHBondContact O-N 3.49Å; K351-R355 VanDerWaalsContact O-N 3.11Å
352L94.3Very high88Confident2 Ų251.6 Ų51.61%0.0125%0.248CC..Hα-helixtrans-65.8-40.5178.7-171.964.2000112.3F315 A318 W319 L322 Y348 G349 R350 S354 R355 M356F315-L352 HydrophobicContact CD1-CD2 4.19Å; F315-L352 HydrophobicContact CD2-CD2 3.93Å; F315-L352 HydrophobicContact CD2-CG 3.96Å; F315-L352 HydrophobicContact CE1-CD2 4.01Å; F315-L352 HydrophobicContact CE2-CB 3.99Å; F315-L352 HydrophobicContact CE2-CD2 3.75Å; F315-L352 HydrophobicContact CE2-CG 3.56Å; F315-L352 HydrophobicContact CG-CD2 4.15Å; F315-L352 HydrophobicContact CZ-CB 4.06Å; F315-L352 HydrophobicContact CZ-CD2 3.79Å; F315-L352 HydrophobicContact CZ-CG 3.95Å; F315-L352 WeakPolarHBondContact O-CD2 3.31Å; A318-L352 HydrophobicContact CB-CD1 3.93Å; A318-L352 HydrophobicContact CB-CD2 3.83Å; W319-L352 HydrophobicContact CB-CD2 3.76Å; W319-L352 HydrophobicContact CG-CD2 4.49Å; L322-L352 HydrophobicContact CD1-CB 4.35Å; L322-L352 HydrophobicContact CD1-CD1 4.26Å; L322-L352 HydrophobicContact CD1-CD2 4.5Å; Y348-L352 WeakPolarHBondContact O-CB 3.16Å; Y348-L352 PolarHBondContact O-N 2.91Å; G349-L352 PolarHBondContact O-N 3.25Å; R350-L352 VanDerWaalsContact C-N 3.3Å; R350-L352 PolarHBondContact O-N 3.24Å; L352-S354 VanDerWaalsContact C-N 3.34Å; L352-S354 PolarHBondContact O-N 3.14Å; L352-R355 PolarHBondContact O-N 3.24Å; L352-R355 VanDerWaalsContact O-N 3.13Å; L352-M356 HydrophobicContact CD1-CG 4.04Å; L352-M356 HydrophobicContact CD1-SD 3.79Å; L352-M356 HydrophobicContact CD2-SD 4.41Å; L352-M356 HydrophobicContact CG-CG 4.37Å; L352-M356 HydrophobicContact CG-SD 3.96Å; L352-M356 WeakPolarHBondContact O-CB 3.24Å; L352-M356 PolarHBondContact O-N 3.37Å
353S95.8Very high90.1Very high2 Ų246 Ų461%0.01423%0.226CC..Hα-helixtrans-64.6-35.7176.862.80000112.9G349 R350 V357 C358 R374G349-S353 WeakPolarHBondContact O-CB 3.27Å; G349-S353 PolarHBondContact O-N 3.29Å; G349-S353 PolarHBondContact O-OG 3.21Å; R350-S353 PolarHBondContact O-N 3.44Å; R350-S353 PolarHBondContact O-OG 3.08Å; S353-V357 VanDerWaalsContact O-CA 3.3Å; S353-V357 WeakPolarHBondContact O-CA 3.33Å; S353-V357 PolarHBondContact O-N 3.11Å; S353-C358 PolarHBondContact O-N 3.49Å; S353-C358 VanDerWaalsContact O-N 3.11Å; S353-R374 PolarHBondContact OG-NH1 2.81Å; S353-R374 PolarHBondContact OG-NH2 3.45Å
354S92.9Very high91.6Very high76 Ų7644.4 Ų44.453%0.53122%0.218SC..Hα-helixtrans-64.1-43169.9-75.60000111.9R350 K351 L352 R374R350-S354 PolarHBondContact O-N 3.21Å; R350-S354 VanDerWaalsContact O-N 3.14Å; K351-S354 PolarHBondContact O-N 2.84Å; L352-S354 VanDerWaalsContact C-N 3.34Å; L352-S354 PolarHBondContact O-N 3.14Å; S354-R374 PolarHBondContact OG-NH1 3.33Å
355R93.8Very high92.4Very high170 Ų17045.6 Ų45.664%0.64223%0.225SC*.Hα-helixtrans-70.7-40.6-177.2-176.217266.31620.9113.1K351 L352 V357K351-R355 PolarHBondContact O-N 3.49Å; K351-R355 VanDerWaalsContact O-N 3.11Å; L352-R355 PolarHBondContact O-N 3.24Å; L352-R355 VanDerWaalsContact O-N 3.13Å; R355-V357 VanDerWaalsContact C-N 3.35Å
356M94.2Very high92.5Very high73 Ų7346.6 Ų46.636%0.3623%0.229SC..Hα-helixtrans-89.2-4.2179.9-64.9-172.866.700113K314 F315 L352K314-M356 HydrophobicContact CB-CE 4.21Å; F315-M356 HydrophobicContact CB-CE 4.22Å; F315-M356 HydrophobicContact CB-SD 4.2Å; F315-M356 HydrophobicContact CD2-CB 4.36Å; F315-M356 HydrophobicContact CD2-CE 4.42Å; F315-M356 HydrophobicContact CD2-CG 4.5Å; F315-M356 HydrophobicContact CD2-SD 3.64Å; F315-M356 HydrophobicContact CE2-SD 4.45Å; F315-M356 HydrophobicContact CG-SD 4.3Å; L352-M356 HydrophobicContact CD1-CG 4.04Å; L352-M356 HydrophobicContact CD1-SD 3.79Å; L352-M356 HydrophobicContact CD2-SD 4.41Å; L352-M356 HydrophobicContact CG-CG 4.37Å; L352-M356 HydrophobicContact CG-SD 3.96Å; L352-M356 WeakPolarHBondContact O-CB 3.24Å; L352-M356 PolarHBondContact O-N 3.37Å
357V93.1Very high92.5Very high130 Ų13047 Ų4779%0.78823%0.231SC*.THydrogen-bonded Turntrans52.464.1-179.4-167.10000111.1S353 R355S353-V357 VanDerWaalsContact O-CA 3.3Å; S353-V357 WeakPolarHBondContact O-CA 3.33Å; S353-V357 PolarHBondContact O-N 3.11Å; R355-V357 VanDerWaalsContact C-N 3.35Å
358C92.7Very high92.5Very high19 Ų1949.3 Ų49.313%0.12824%0.243CC..  trans-125.8157.5175.869.60000111.9F306 F315 S353F306-C358 HydrophobicContact CD1-CB 4.35Å; F306-C358 HydrophobicContact CE1-CB 3.57Å; F306-C358 HydrophobicContact CZ-CB 3.97Å; F315-C358 WeakPolarHBondContact CE2-SG 3.37Å; S353-C358 PolarHBondContact O-N 3.49Å; S353-C358 VanDerWaalsContact O-N 3.11Å
359P93.7Very high92.4Very high64 Ų6447.6 Ų47.642%0.41624%0.241SC..  trans-64.3145.1175.1-14.828.6000110.9G304G304-P359 PolarHBondContact N-O 2.86Å; G304-P359 WeakPolarHBondContact O-CB 3.28Å
360W95.2Very high92.3Very high7 Ų749.1 Ų49.13%0.02725%0.248CC..EExtended strand (participates in β ladder)trans-133.6150.8-177.7-179.3-107.7000109.5A301 A303 F315 W319 G349 R350 E362 D372 R374A301-W360 HydrophobicContact CB-CH2 3.63Å; A301-W360 HydrophobicContact CB-CZ2 3.55Å; A303-W360 HydrophobicContact CB-CE3 3.92Å; A303-W360 HydrophobicContact CB-CZ3 4.04Å; F315-W360 HydrophobicContact CZ-CZ3 4.29Å; W319-W360 AromaticContact CH2-CH2 3.39Å; W319-W360 HydrophobicContact CH2-CH2 3.39Å; W319-W360 AromaticContact CH2-CZ3 3.62Å; W319-W360 HydrophobicContact CH2-CZ3 3.62Å; W319-W360 AromaticContact CZ2-CH2 3.63Å; W319-W360 HydrophobicContact CZ2-CH2 3.63Å; W319-W360 HydrophobicContact CZ2-CZ3 4.18Å; W319-W360 HydrophobicContact CZ3-CH2 4.17Å; W319-W360 AromaticContact CZ3-CZ3 3.93Å; W319-W360 HydrophobicContact CZ3-CZ3 3.93Å; G349-W360 VanDerWaalsContact CA-CH2 3.49Å; R350-W360 HydrophobicContact CB-CZ2 4.33Å; W360-E362 HydrophobicContact CZ2-CB 4.28Å; W360-E362 VanDerWaalsContact NE1-CD 3.34Å; W360-E362 PolarHBondContact NE1-OE2 3.44Å; W360-D372 HydrophobicContact CB-CB 4.4Å; W360-D372 VanDerWaalsContact O-CB 3.31Å; W360-D372 WeakPolarHBondContact O-CB 3.16Å; W360-R374 VanDerWaalsContact CB-NH2 3.34Å
361A93.8Very high92.3Very high12 Ų1248.7 Ų48.710%0.09925%0.248CC..EExtended strand (participates in β ladder)trans-149.2135.7164.900000108.9A301 C302 L425A301-A361 CarbonylContact C-O 3.55Å; A301-A361 VanDerWaalsContact CA-O 3.28Å; A301-A361 WeakPolarHBondContact CA-O 3.24Å; C302-A361 PolarHBondContact N-O 3.41Å; C302-A361 PolarHBondContact O-N 3.14Å; A361-L425 HydrophobicContact CB-CD1 4.5Å
362E92.6Very high92.4Very high2 Ų244 Ų441%0.00923%0.229CC..EExtended strand (participates in β ladder)trans-133.6154.1172.171-156.4157.800109.7A300 A301 R350 W360 W364 F370 C371A300-E362 WeakPolarHBondContact O-CA 3.44Å; A301-E362 HydrophobicContact CB-CB 3.75Å; R350-E362 IonicContact CZ-OE1 3.32Å; R350-E362 VanDerWaalsContact CZ-OE1 3.31Å; R350-E362 IonicContact CZ-OE2 3.67Å; R350-E362 IonicContact NE-OE1 3.67Å; R350-E362 PolarHBondContact NE-OE1 2.93Å; R350-E362 IonicContact NE-OE2 3.43Å; R350-E362 PolarHBondContact NE-OE2 3.05Å; R350-E362 VanDerWaalsContact NE-OE2 3.16Å; R350-E362 IonicContact NH2-OE1 2.72Å; R350-E362 PolarHBondContact NH2-OE1 3.42Å; R350-E362 VanDerWaalsContact NH2-OE1 3.13Å; R350-E362 IonicContact NH2-OE2 2.82Å; R350-E362 PolarHBondContact NH2-OE2 2.94Å; W360-E362 HydrophobicContact CZ2-CB 4.28Å; W360-E362 VanDerWaalsContact NE1-CD 3.34Å; W360-E362 PolarHBondContact NE1-OE2 3.44Å; E362-W364 HydrophobicContact CG-CZ2 4.26Å; E362-W364 VanDerWaalsContact CG-NE1 3.31Å; E362-W364 WeakPolarHBondContact OE1-CZ2 3.23Å; E362-W364 PolarHBondContact OE1-NE1 2.87Å; E362-F370 VanDerWaalsContact O-CA 3.31Å; E362-F370 WeakPolarHBondContact O-CA 3.48Å; E362-C371 PolarHBondContact N-O 3.08Å; E362-C371 PolarHBondContact O-N 3.39Å; E362-C371 VanDerWaalsContact O-O 3.12Å
363Y91.4Very high92.4Very high42 Ų4244 Ų4417%0.16523%0.228CC..EExtended strand (participates in β ladder)trans-81.4124.7178.1-169.7-98.2000110.3R268 A300 D365 K368 F370 L430R268-Y363 HydrophobicContact CG-CD1 4.36Å; R268-Y363 HydrophobicContact CG-CE1 4.47Å; A300-Y363 PolarHBondContact O-N 2.85Å; Y363-D365 HydrophobicContact CD1-CB 4.49Å; Y363-D365 HydrophobicContact CE1-CB 4.15Å; Y363-K368 VanDerWaalsContact CE2-C 3.46Å; Y363-K368 VanDerWaalsContact OH-CA 3.28Å; Y363-K368 WeakPolarHBondContact OH-CA 3.37Å; Y363-K368 WeakPolarHBondContact OH-CD 3.42Å; Y363-F370 HydrophobicContact CD2-CD1 4.31Å; Y363-F370 AromaticContact CD2-CD2 3.77Å; Y363-F370 HydrophobicContact CD2-CD2 3.77Å; Y363-F370 HydrophobicContact CD2-CE1 4.18Å; Y363-F370 AromaticContact CD2-CE2 3.61Å; Y363-F370 HydrophobicContact CD2-CE2 3.61Å; Y363-F370 HydrophobicContact CD2-CG 4.12Å; Y363-F370 AromaticContact CD2-CZ 3.83Å; Y363-F370 HydrophobicContact CD2-CZ 3.83Å; Y363-F370 HydrophobicContact CE2-CD2 4.48Å; Y363-F370 HydrophobicContact CE2-CE2 4.28Å; Y363-F370 HydrophobicContact CG-CE1 4.36Å; Y363-F370 HydrophobicContact CG-CE2 4.5Å; Y363-F370 HydrophobicContact CG-CZ 4.29Å; Y363-L430 HydrophobicContact CE2-CD1 4.24Å
364W91.6Very high92.2Very high17 Ų1746 Ų466%0.06424%0.236CC..EExtended strand (participates in β ladder)trans-106.7107.8172.3-69.296.1000109.2E362 F366 M367 K368 A369 C371 I373 D482 V483 A486E362-W364 HydrophobicContact CG-CZ2 4.26Å; E362-W364 VanDerWaalsContact CG-NE1 3.31Å; E362-W364 WeakPolarHBondContact OE1-CZ2 3.23Å; E362-W364 PolarHBondContact OE1-NE1 2.87Å; W364-F366 VanDerWaalsContact C-N 3.31Å; W364-F366 HydrophobicContact CB-CD1 4.24Å; W364-F366 HydrophobicContact CB-CE1 3.89Å; W364-F366 HydrophobicContact CB-CZ 4.34Å; W364-F366 AromaticContact CD2-CE1 4Å; W364-F366 HydrophobicContact CD2-CE1 4Å; W364-F366 HydrophobicContact CE3-CD1 4.3Å; W364-F366 AromaticContact CE3-CE1 3.5Å; W364-F366 HydrophobicContact CE3-CE1 3.5Å; W364-F366 VanDerWaalsContact CE3-CE1 3.5Å; W364-F366 HydrophobicContact CE3-CZ 4.36Å; W364-F366 HydrophobicContact CG-CE1 4.23Å; W364-F366 HydrophobicContact CZ3-CE1 4.27Å; W364-F366 PolarHBondContact O-N 3.1Å; W364-M367 HydrophobicContact CB-CB 4.43Å; W364-M367 HydrophobicContact CB-CE 3.53Å; W364-M367 HydrophobicContact CG-CE 3.68Å; W364-M367 CarbonylContact O-C 3.52Å; W364-M367 PolarHBondContact O-N 2.9Å; W364-K368 PolarHBondContact O-N 3.27Å; W364-A369 PolarHBondContact N-O 3.2Å; W364-A369 PolarHBondContact O-N 2.99Å; W364-C371 PolarHBondContact NE1-O 3.19Å; W364-I373 HydrophobicContact CZ2-CB 4.28Å; W364-I373 HydrophobicContact CZ2-CG2 3.54Å; W364-D482 HydrophobicContact CH2-CB 4.34Å; W364-D482 HydrophobicContact CZ3-CB 4.1Å; W364-V483 HydrophobicContact CE3-CG2 3.93Å; W364-V483 HydrophobicContact CH2-CG2 3.82Å; W364-V483 HydrophobicContact CZ3-CG2 3.47Å; W364-V483 VanDerWaalsContact CZ3-CG2 3.47Å; W364-A486 HydrophobicContact CH2-CB 4.28Å; W364-A486 HydrophobicContact CZ2-CB 4.19Å
365D89.1Confident92.2Very high52 Ų5245.2 Ų45.228%0.27823%0.228SC..G310 helixtrans-57.8-41.5-172.3-170.467.9000113Y363 M367 K368Y363-D365 HydrophobicContact CD1-CB 4.49Å; Y363-D365 HydrophobicContact CE1-CB 4.15Å; D365-M367 PolarHBondContact O-N 3.33Å; D365-M367 VanDerWaalsContact O-N 3.17Å; D365-K368 WeakPolarHBondContact O-CD 3.42Å; D365-K368 WeakPolarHBondContact O-CE 3.44Å; D365-K368 WeakPolarHBondContact O-CG 3.49Å; D365-K368 PolarHBondContact O-N 3.09Å; D365-K368 IonicContact OD1-NZ 3.65Å; D365-K368 PolarHBondContact OD1-NZ 2.91Å; D365-K368 IonicContact OD2-NZ 2.81Å; D365-K368 PolarHBondContact OD2-NZ 3.33Å
366F90.7Very high92.3Very high20 Ų2043.6 Ų43.69%0.08823%0.227CC..G310 helixtrans-63.9-23.7178.970.2-92.3000113.8W364 I373 F382 F385 I471 T479 V483W364-F366 VanDerWaalsContact C-N 3.31Å; W364-F366 HydrophobicContact CB-CD1 4.24Å; W364-F366 HydrophobicContact CB-CE1 3.89Å; W364-F366 HydrophobicContact CB-CZ 4.34Å; W364-F366 AromaticContact CD2-CE1 4Å; W364-F366 HydrophobicContact CD2-CE1 4Å; W364-F366 HydrophobicContact CE3-CD1 4.3Å; W364-F366 AromaticContact CE3-CE1 3.5Å; W364-F366 HydrophobicContact CE3-CE1 3.5Å; W364-F366 VanDerWaalsContact CE3-CE1 3.5Å; W364-F366 HydrophobicContact CE3-CZ 4.36Å; W364-F366 HydrophobicContact CG-CE1 4.23Å; W364-F366 HydrophobicContact CZ3-CE1 4.27Å; W364-F366 PolarHBondContact O-N 3.1Å; F366-I373 HydrophobicContact CZ-CD1 4.33Å; F366-F382 AromaticContact CE2-CD2 3.7Å; F366-F382 HydrophobicContact CE2-CD2 3.7Å; F366-F382 AromaticContact CE2-CE2 3.72Å; F366-F382 HydrophobicContact CE2-CE2 3.72Å; F366-F382 HydrophobicContact CZ-CD2 4.1Å; F366-F382 HydrophobicContact CZ-CE2 4.05Å; F366-F385 HydrophobicContact CB-CZ 4.25Å; F366-F385 AromaticContact CD2-CD1 3.89Å; F366-F385 HydrophobicContact CD2-CD1 3.89Å; F366-F385 HydrophobicContact CD2-CD2 4.32Å; F366-F385 AromaticContact CD2-CE1 3.59Å; F366-F385 HydrophobicContact CD2-CE1 3.59Å; F366-F385 HydrophobicContact CD2-CE2 4.04Å; F366-F385 HydrophobicContact CD2-CG 4.24Å; F366-F385 AromaticContact CD2-CZ 3.66Å; F366-F385 HydrophobicContact CD2-CZ 3.66Å; F366-F385 AromaticContact CE2-CD1 4Å; F366-F385 HydrophobicContact CE2-CD1 4Å; F366-F385 HydrophobicContact CE2-CE1 4.06Å; F366-F385 HydrophobicContact CE2-CG 4.45Å; F366-F385 HydrophobicContact CG-CZ 4.43Å; F366-F385 WeakPolarHBondContact O-CE2 3.49Å; F366-I471 HydrophobicContact CB-CG2 3.57Å; F366-I471 HydrophobicContact CD1-CG2 3.95Å; F366-I471 HydrophobicContact CD2-CG2 3.55Å; F366-I471 HydrophobicContact CE1-CD1 4.15Å; F366-I471 HydrophobicContact CE1-CG2 4.49Å; F366-I471 HydrophobicContact CE2-CD1 4.28Å; F366-I471 HydrophobicContact CE2-CG2 4.15Å; F366-I471 HydrophobicContact CG-CG2 3.42Å; F366-I471 VanDerWaalsContact CG-CG2 3.42Å; F366-I471 HydrophobicContact CZ-CD1 4.02Å; F366-T479 HydrophobicContact CD1-CG2 3.48Å; F366-T479 VanDerWaalsContact CD1-CG2 3.48Å; F366-T479 HydrophobicContact CE1-CG2 3.84Å; F366-T479 HydrophobicContact CG-CG2 4.36Å; F366-V483 HydrophobicContact CE1-CG2 3.57Å; F366-V483 HydrophobicContact CZ-CG2 3.64Å
367M90.6Very high92.1Very high31 Ų3145.6 Ų45.615%0.15323%0.234CC..G310 helixtrans-98.2-6.5172.6-64.4-171.5-73.800113W364 D365 A369 C371 I373 K381 F382 F385W364-M367 HydrophobicContact CB-CB 4.43Å; W364-M367 HydrophobicContact CB-CE 3.53Å; W364-M367 HydrophobicContact CG-CE 3.68Å; W364-M367 CarbonylContact O-C 3.52Å; W364-M367 PolarHBondContact O-N 2.9Å; D365-M367 PolarHBondContact O-N 3.33Å; D365-M367 VanDerWaalsContact O-N 3.17Å; M367-A369 HydrophobicContact CB-CB 4.37Å; M367-A369 PolarHBondContact O-N 3.34Å; M367-A369 VanDerWaalsContact O-N 3.15Å; M367-C371 VanDerWaalsContact CE-SG 3.59Å; M367-I373 HydrophobicContact CE-CD1 3.99Å; M367-K381 HydrophobicContact SD-CB 4.27Å; M367-F382 HydrophobicContact SD-CB 4.13Å; M367-F382 HydrophobicContact SD-CD2 4.41Å; M367-F385 HydrophobicContact CG-CB 4.33Å; M367-F385 HydrophobicContact CG-CD2 4.4Å; M367-F385 HydrophobicContact CG-CG 4.3Å
368K88.7Confident92.2Very high121 Ų12139.4 Ų39.453%0.52620%0.197SC..THydrogen-bonded Turntrans47.336.2-171.3-57.6-68.3169.1-173.20113.3Y363 W364 D365Y363-K368 VanDerWaalsContact CE2-C 3.46Å; Y363-K368 VanDerWaalsContact OH-CA 3.28Å; Y363-K368 WeakPolarHBondContact OH-CA 3.37Å; Y363-K368 WeakPolarHBondContact OH-CD 3.42Å; W364-K368 PolarHBondContact O-N 3.27Å; D365-K368 WeakPolarHBondContact O-CD 3.42Å; D365-K368 WeakPolarHBondContact O-CE 3.44Å; D365-K368 WeakPolarHBondContact O-CG 3.49Å; D365-K368 PolarHBondContact O-N 3.09Å; D365-K368 IonicContact OD1-NZ 3.65Å; D365-K368 PolarHBondContact OD1-NZ 2.91Å; D365-K368 IonicContact OD2-NZ 2.81Å; D365-K368 PolarHBondContact OD2-NZ 3.33Å
369A89.1Confident92.4Very high23 Ų2338.5 Ų38.519%0.1919%0.191CC..EExtended strand (participates in β ladder)trans-144.7147.5-17100000113.2W364 M367W364-A369 PolarHBondContact N-O 3.2Å; W364-A369 PolarHBondContact O-N 2.99Å; M367-A369 HydrophobicContact CB-CB 4.37Å; M367-A369 PolarHBondContact O-N 3.34Å; M367-A369 VanDerWaalsContact O-N 3.15Å
370F90.6Very high92.5Very high32 Ų3237.8 Ų37.814%0.1419%0.187CC..EExtended strand (participates in β ladder)trans-78.1127165.2-67.1-88.3000110.6L299 E362 Y363 K381 L430L299-F370 HydrophobicContact CB-CE1 4.28Å; L299-F370 HydrophobicContact CB-CZ 3.94Å; L299-F370 HydrophobicContact CD2-CE1 3.85Å; L299-F370 HydrophobicContact CD2-CZ 3.81Å; L299-F370 HydrophobicContact CG-CE1 3.79Å; L299-F370 HydrophobicContact CG-CZ 3.9Å; L299-F370 WeakPolarHBondContact O-CE1 3.42Å; L299-F370 WeakPolarHBondContact O-CZ 3.44Å; E362-F370 VanDerWaalsContact O-CA 3.31Å; E362-F370 WeakPolarHBondContact O-CA 3.48Å; Y363-F370 HydrophobicContact CD2-CD1 4.31Å; Y363-F370 AromaticContact CD2-CD2 3.77Å; Y363-F370 HydrophobicContact CD2-CD2 3.77Å; Y363-F370 HydrophobicContact CD2-CE1 4.18Å; Y363-F370 AromaticContact CD2-CE2 3.61Å; Y363-F370 HydrophobicContact CD2-CE2 3.61Å; Y363-F370 HydrophobicContact CD2-CG 4.12Å; Y363-F370 AromaticContact CD2-CZ 3.83Å; Y363-F370 HydrophobicContact CD2-CZ 3.83Å; Y363-F370 HydrophobicContact CE2-CD2 4.48Å; Y363-F370 HydrophobicContact CE2-CE2 4.28Å; Y363-F370 HydrophobicContact CG-CE1 4.36Å; Y363-F370 HydrophobicContact CG-CE2 4.5Å; Y363-F370 HydrophobicContact CG-CZ 4.29Å; F370-K381 PolarHBondContact O-NZ 3.22Å; F370-L430 HydrophobicContact CE2-CD1 4.41Å; F370-L430 HydrophobicContact CE2-CD2 4.48Å
371C91.7Very high92.4Very high12 Ų1241.7 Ų41.78%0.08120%0.204CC..EExtended strand (participates in β ladder)trans-164.2155.3167.456.60000111.6E362 W364 M367 I373 K381E362-C371 PolarHBondContact N-O 3.08Å; E362-C371 PolarHBondContact O-N 3.39Å; E362-C371 VanDerWaalsContact O-O 3.12Å; W364-C371 PolarHBondContact NE1-O 3.19Å; M367-C371 VanDerWaalsContact CE-SG 3.59Å; C371-I373 PolarHBondContact O-N 2.93Å; C371-K381 HydrophobicContact CB-CD 4.15Å
372D94.4Very high92.5Very high18 Ų1841.1 Ų41.110%0.09620%0.2CC..  trans-85105.9158.6-176.6-5.3000109.5W360 R374 T375 G378W360-D372 HydrophobicContact CB-CB 4.4Å; W360-D372 VanDerWaalsContact O-CB 3.31Å; W360-D372 WeakPolarHBondContact O-CB 3.16Å; D372-R374 PolarHBondContact O-N 2.77Å; D372-R374 VanDerWaalsContact O-N 3.16Å; D372-R374 VanDerWaalsContact OD1-CB 3.22Å; D372-R374 WeakPolarHBondContact OD1-CB 3.19Å; D372-R374 WeakPolarHBondContact OD1-CG 3.24Å; D372-R374 IonicContact OD1-CZ 3.41Å; D372-R374 PolarHBondContact OD1-N 3.3Å; D372-R374 IonicContact OD1-NE 3.87Å; D372-R374 PolarHBondContact OD1-NE 3.27Å; D372-R374 IonicContact OD1-NH2 3.8Å; D372-R374 IonicContact OD2-CZ 3.72Å; D372-R374 IonicContact OD2-NE 3.88Å; D372-R374 PolarHBondContact OD2-NE 2.96Å; D372-R374 IonicContact OD2-NH2 2.75Å; D372-R374 PolarHBondContact OD2-NH2 2.91Å; D372-T375 HydrophobicContact CB-CG2 3.83Å; D372-T375 PolarHBondContact O-N 3.42Å; D372-T375 VanDerWaalsContact O-N 3.12Å; D372-T375 PolarHBondContact O-OG1 3.35Å; D372-G378 WeakPolarHBondContact O-CA 3.34Å
373I93.9Very high92.7Very high0 Ų042.4 Ų42.40%021%0.207CC..THydrogen-bonded Turntrans-64.3-16.1-177.8-163.3157.1000113.2W364 F366 M367 C371 T375 L379 F382 V483 A486 I487W364-I373 HydrophobicContact CZ2-CB 4.28Å; W364-I373 HydrophobicContact CZ2-CG2 3.54Å; F366-I373 HydrophobicContact CZ-CD1 4.33Å; M367-I373 HydrophobicContact CE-CD1 3.99Å; C371-I373 PolarHBondContact O-N 2.93Å; I373-T375 VanDerWaalsContact C-N 3.3Å; I373-L379 WeakPolarHBondContact O-CD2 3.36Å; I373-L379 WeakPolarHBondContact O-CG 3.49Å; I373-F382 HydrophobicContact CD1-CB 4.01Å; I373-F382 HydrophobicContact CD1-CD1 3.95Å; I373-F382 HydrophobicContact CD1-CD2 4.38Å; I373-F382 HydrophobicContact CD1-CG 3.87Å; I373-F382 HydrophobicContact CG1-CB 4.26Å; I373-F382 HydrophobicContact CG1-CD1 4.42Å; I373-F382 HydrophobicContact CG1-CG 4.5Å; I373-V483 HydrophobicContact CD1-CB 4.46Å; I373-V483 HydrophobicContact CD1-CG1 3.56Å; I373-V483 HydrophobicContact CD1-CG2 4.13Å; I373-A486 HydrophobicContact CG2-CB 3.64Å; I373-I487 HydrophobicContact CB-CG2 4.35Å; I373-I487 HydrophobicContact CG1-CG2 4Å; I373-I487 HydrophobicContact CG2-CG2 3.75Å
374R92.8Very high92.8Very high45 Ų4547.4 Ų47.417%0.1723%0.225CC..THydrogen-bonded Turntrans-75.6-19.8176.4-55.9170.6-63.6-177.1-0.2113R350 S353 S354 W360 D372 A486R350-R374 VanDerWaalsContact CG-CZ 3.44Å; R350-R374 VanDerWaalsContact CG-NH1 3.3Å; R350-R374 PolarHBondContact O-NH1 3.37Å; S353-R374 PolarHBondContact OG-NH1 2.81Å; S353-R374 PolarHBondContact OG-NH2 3.45Å; S354-R374 PolarHBondContact OG-NH1 3.33Å; W360-R374 VanDerWaalsContact CB-NH2 3.34Å; D372-R374 PolarHBondContact O-N 2.77Å; D372-R374 VanDerWaalsContact O-N 3.16Å; D372-R374 VanDerWaalsContact OD1-CB 3.22Å; D372-R374 WeakPolarHBondContact OD1-CB 3.19Å; D372-R374 WeakPolarHBondContact OD1-CG 3.24Å; D372-R374 IonicContact OD1-CZ 3.41Å; D372-R374 PolarHBondContact OD1-N 3.3Å; D372-R374 IonicContact OD1-NE 3.87Å; D372-R374 PolarHBondContact OD1-NE 3.27Å; D372-R374 IonicContact OD1-NH2 3.8Å; D372-R374 IonicContact OD2-CZ 3.72Å; D372-R374 IonicContact OD2-NE 3.88Å; D372-R374 PolarHBondContact OD2-NE 2.96Å; D372-R374 IonicContact OD2-NH2 2.75Å; D372-R374 PolarHBondContact OD2-NH2 2.91Å; R374-A486 VanDerWaalsContact CG-O 3.28Å; R374-A486 WeakPolarHBondContact CG-O 3.38Å
375T93.2Very high93Very high60 Ų6048.1 Ų48.137%0.36823%0.229SC..SBendtrans-83.7158-178.266.40000111.2D372 I373 K377 G378 L379D372-T375 HydrophobicContact CB-CG2 3.83Å; D372-T375 PolarHBondContact O-N 3.42Å; D372-T375 VanDerWaalsContact O-N 3.12Å; D372-T375 PolarHBondContact O-OG1 3.35Å; I373-T375 VanDerWaalsContact C-N 3.3Å; T375-K377 PolarHBondContact O-N 3.14Å; T375-G378 WeakPolarHBondContact O-CA 3.47Å; T375-G378 PolarHBondContact O-N 3.37Å; T375-G378 PolarHBondContact OG1-N 3.36Å; T375-G378 VanDerWaalsContact OG1-N 3.14Å; T375-L379 WeakPolarHBondContact O-CG 3.19Å; T375-L379 PolarHBondContact O-N 3.06Å
376E94.2Very high93.2Very high135 Ų13545.7 Ų45.763%0.63122%0.216SC*.Hα-helixtrans-53.8-39.1174.4-67179.917300112.8S380 Y496E376-S380 VanDerWaalsContact O-CB 3.28Å; E376-S380 WeakPolarHBondContact O-CB 3.23Å; E376-S380 PolarHBondContact O-N 2.98Å; E376-S380 PolarHBondContact O-OG 2.9Å; E376-Y496 VanDerWaalsContact CA-OH 3.29Å; E376-Y496 WeakPolarHBondContact CA-OH 3.4Å; E376-Y496 WeakPolarHBondContact CB-OH 3.2Å; E376-Y496 PolarHBondContact O-OH 2.92Å; E376-Y496 VanDerWaalsContact O-OH 3.13Å
377K91.3Very high93.2Very high115 Ų11546.9 Ų46.950%0.522%0.222SC..Hα-helixtrans-65.8-41.6175.6-68-176.7-179.11760112.1T375 S380 K381 A423T375-K377 PolarHBondContact O-N 3.14Å; K377-S380 PolarHBondContact O-N 2.96Å; K377-K381 WeakPolarHBondContact O-CG 3.37Å; K377-K381 PolarHBondContact O-N 3.35Å; K377-K381 VanDerWaalsContact O-N 3.08Å; K377-A423 PolarHBondContact NZ-O 3.49Å; K377-A423 VanDerWaalsContact NZ-O 3.16Å
378G94.5Very high93.1Very high0 Ų053.3 Ų53.30%024%0.244CC..Hα-helixtrans-64-49.417600000112.1D372 T375 S380 K381 F382D372-G378 WeakPolarHBondContact O-CA 3.34Å; T375-G378 WeakPolarHBondContact O-CA 3.47Å; T375-G378 PolarHBondContact O-N 3.37Å; T375-G378 PolarHBondContact OG1-N 3.36Å; T375-G378 VanDerWaalsContact OG1-N 3.14Å; G378-S380 VanDerWaalsContact C-N 3.3Å; G378-S380 PolarHBondContact O-N 3.25Å; G378-K381 WeakPolarHBondContact O-CB 3.26Å; G378-K381 PolarHBondContact O-N 2.96Å; G378-K381 VanDerWaalsContact O-N 3.15Å; G378-F382 PolarHBondContact O-N 3.12Å
379L96.2Very high92.8Very high0 Ų051 Ų510%023%0.232CC..Hα-helixtrans-59.9-39.2175.3-68.6173.3000111.9I373 T375 F382 N383 I487 L493 Y496 V499I373-L379 WeakPolarHBondContact O-CD2 3.36Å; I373-L379 WeakPolarHBondContact O-CG 3.49Å; T375-L379 WeakPolarHBondContact O-CG 3.19Å; T375-L379 PolarHBondContact O-N 3.06Å; L379-F382 PolarHBondContact O-N 3.04Å; L379-N383 WeakPolarHBondContact O-CB 3.47Å; L379-N383 PolarHBondContact O-N 3.44Å; L379-I487 HydrophobicContact CD2-CD1 4.17Å; L379-I487 HydrophobicContact CD2-CG2 4.18Å; L379-L493 HydrophobicContact CD1-CD2 4.25Å; L379-L493 HydrophobicContact CD2-CD2 3.79Å; L379-Y496 HydrophobicContact CB-CD1 4.05Å; L379-Y496 HydrophobicContact CB-CD2 3.72Å; L379-Y496 HydrophobicContact CB-CE1 3.88Å; L379-Y496 HydrophobicContact CB-CE2 3.54Å; L379-Y496 HydrophobicContact CB-CG 3.97Å; L379-Y496 HydrophobicContact CD1-CD2 3.89Å; L379-Y496 HydrophobicContact CD1-CE2 3.57Å; L379-Y496 HydrophobicContact CG-CD2 4.34Å; L379-Y496 HydrophobicContact CG-CE2 4.19Å; L379-V499 HydrophobicContact CD2-CG1 4.3Å
380S95.8Very high92.6Very high50 Ų5049.9 Ų49.935%0.3522%0.223SC..Hα-helixtrans-61.4-44.2174.2-64.20000112.5E376 K377 G378 R384 Y496E376-S380 VanDerWaalsContact O-CB 3.28Å; E376-S380 WeakPolarHBondContact O-CB 3.23Å; E376-S380 PolarHBondContact O-N 2.98Å; E376-S380 PolarHBondContact O-OG 2.9Å; K377-S380 PolarHBondContact O-N 2.96Å; G378-S380 VanDerWaalsContact C-N 3.3Å; G378-S380 PolarHBondContact O-N 3.25Å; S380-R384 WeakPolarHBondContact O-CB 3.33Å; S380-R384 PolarHBondContact O-N 3.02Å; S380-R384 VanDerWaalsContact O-N 3.09Å; S380-Y496 WeakPolarHBondContact OG-CE1 3.23Å
381K94.7Very high92.2Very high88 Ų8849 Ų4938%0.38322%0.22SC..Hα-helixtrans-62.8-45.9175.1-74.6-177.2-179.7-171.60110.9M367 F370 C371 K377 G378 R384 F385M367-K381 HydrophobicContact SD-CB 4.27Å; F370-K381 PolarHBondContact O-NZ 3.22Å; C371-K381 HydrophobicContact CB-CD 4.15Å; K377-K381 WeakPolarHBondContact O-CG 3.37Å; K377-K381 PolarHBondContact O-N 3.35Å; K377-K381 VanDerWaalsContact O-N 3.08Å; G378-K381 WeakPolarHBondContact O-CB 3.26Å; G378-K381 PolarHBondContact O-N 2.96Å; G378-K381 VanDerWaalsContact O-N 3.15Å; K381-R384 WeakPolarHBondContact O-CB 3.46Å; K381-R384 PolarHBondContact O-N 2.94Å; K381-F385 PolarHBondContact O-N 3.44Å
382F96.1Very high91.6Very high0 Ų053 Ų530%024%0.24CC..Hα-helixtrans-65.9-42.7-179.5-176.6-142.2000112.3F366 M367 I373 G378 L379 R384 F385 L386 I471 V483 I487 V499 W502F366-F382 AromaticContact CE2-CD2 3.7Å; F366-F382 HydrophobicContact CE2-CD2 3.7Å; F366-F382 AromaticContact CE2-CE2 3.72Å; F366-F382 HydrophobicContact CE2-CE2 3.72Å; F366-F382 HydrophobicContact CZ-CD2 4.1Å; F366-F382 HydrophobicContact CZ-CE2 4.05Å; M367-F382 HydrophobicContact SD-CB 4.13Å; M367-F382 HydrophobicContact SD-CD2 4.41Å; I373-F382 HydrophobicContact CD1-CB 4.01Å; I373-F382 HydrophobicContact CD1-CD1 3.95Å; I373-F382 HydrophobicContact CD1-CD2 4.38Å; I373-F382 HydrophobicContact CD1-CG 3.87Å; I373-F382 HydrophobicContact CG1-CB 4.26Å; I373-F382 HydrophobicContact CG1-CD1 4.42Å; I373-F382 HydrophobicContact CG1-CG 4.5Å; G378-F382 PolarHBondContact O-N 3.12Å; L379-F382 PolarHBondContact O-N 3.04Å; F382-R384 VanDerWaalsContact C-N 3.29Å; F382-R384 PolarHBondContact O-N 3.3Å; F382-F385 HydrophobicContact CD2-CD1 4.21Å; F382-F385 HydrophobicContact CE2-CD1 4.22Å; F382-F385 WeakPolarHBondContact O-CB 3.29Å; F382-F385 PolarHBondContact O-N 2.92Å; F382-F385 VanDerWaalsContact O-N 3.13Å; F382-L386 HydrophobicContact CD1-CD1 4.33Å; F382-L386 HydrophobicContact CD2-CD1 4.25Å; F382-L386 HydrophobicContact CD2-CG 4.07Å; F382-L386 HydrophobicContact CE1-CD1 3.89Å; F382-L386 HydrophobicContact CE2-CD1 3.81Å; F382-L386 HydrophobicContact CE2-CD2 3.9Å; F382-L386 HydrophobicContact CE2-CG 3.68Å; F382-L386 HydrophobicContact CG-CD1 4.5Å; F382-L386 HydrophobicContact CZ-CD1 3.62Å; F382-L386 HydrophobicContact CZ-CD2 4.17Å; F382-L386 HydrophobicContact CZ-CG 4.01Å; F382-L386 PolarHBondContact O-N 3.43Å; F382-I471 HydrophobicContact CE2-CD1 4.1Å; F382-I471 HydrophobicContact CE2-CG1 4Å; F382-I471 HydrophobicContact CZ-CD1 4.11Å; F382-I471 HydrophobicContact CZ-CG1 4.18Å; F382-V483 HydrophobicContact CD1-CG1 4.17Å; F382-V483 HydrophobicContact CE1-CG1 3.55Å; F382-V483 HydrophobicContact CE2-CG1 4.48Å; F382-V483 HydrophobicContact CZ-CG1 3.72Å; F382-I487 HydrophobicContact CD1-CD1 4.49Å; F382-I487 HydrophobicContact CE1-CD1 4.29Å; F382-V499 HydrophobicContact CB-CG2 4.39Å; F382-V499 HydrophobicContact CD1-CB 4.39Å; F382-V499 HydrophobicContact CD1-CG1 3.94Å; F382-V499 HydrophobicContact CD1-CG2 3.63Å; F382-V499 HydrophobicContact CE1-CG1 4.03Å; F382-V499 HydrophobicContact CE1-CG2 4.22Å; F382-V499 HydrophobicContact CG-CG2 4.19Å; F382-W502 HydrophobicContact CE1-CD2 4.15Å; F382-W502 AromaticContact CE1-CE3 3.7Å; F382-W502 HydrophobicContact CE1-CE3 3.7Å; F382-W502 HydrophobicContact CE1-CH2 4.32Å; F382-W502 AromaticContact CE1-CZ3 3.82Å; F382-W502 HydrophobicContact CE1-CZ3 3.82Å; F382-W502 AromaticContact CZ-CD2 3.9Å; F382-W502 HydrophobicContact CZ-CD2 3.9Å; F382-W502 AromaticContact CZ-CE3 3.93Å; F382-W502 HydrophobicContact CZ-CE3 3.93Å; F382-W502 HydrophobicContact CZ-CG 4.49Å; F382-W502 HydrophobicContact CZ-CH2 4.32Å; F382-W502 HydrophobicContact CZ-CZ2 4.26Å; F382-W502 HydrophobicContact CZ-CZ3 4.17Å
383N95.5Very high90.7Very high29 Ų2954 Ų5416%0.15525%0.245CC..Hα-helixtrans-58.5-42.6174.6-170.770.7000111.7L379 L386 H387 Y496 F498 V499L379-N383 WeakPolarHBondContact O-CB 3.47Å; L379-N383 PolarHBondContact O-N 3.44Å; N383-L386 PolarHBondContact O-N 3.28Å; N383-H387 VanDerWaalsContact O-CB 3.31Å; N383-H387 WeakPolarHBondContact O-CB 3.5Å; N383-H387 PolarHBondContact O-N 2.87Å; N383-Y496 HydrophobicContact CB-CD1 3.97Å; N383-Y496 HydrophobicContact CB-CG 4.47Å; N383-Y496 VanDerWaalsContact OD1-C 3.22Å; N383-F498 WeakPolarHBondContact OD1-CB 3.38Å; N383-F498 PolarHBondContact OD1-N 3.15Å; N383-V499 HydrophobicContact CB-CG2 3.69Å; N383-V499 PolarHBondContact OD1-N 3.48Å
384R94.8Very high89.8Confident148 Ų14854 Ų5456%0.55825%0.246SC*.Hα-helixtrans-64.7-40.5175.7-170-173.7-55-169-0.4112.1S380 K381 F382 H387 R388S380-R384 WeakPolarHBondContact O-CB 3.33Å; S380-R384 PolarHBondContact O-N 3.02Å; S380-R384 VanDerWaalsContact O-N 3.09Å; K381-R384 WeakPolarHBondContact O-CB 3.46Å; K381-R384 PolarHBondContact O-N 2.94Å; F382-R384 VanDerWaalsContact C-N 3.29Å; F382-R384 PolarHBondContact O-N 3.3Å; R384-H387 PolarHBondContact O-N 3.41Å; R384-R388 WeakPolarHBondContact O-CG 3.44Å; R384-R388 PolarHBondContact O-N 3.04Å
385F94.8Very high88.9Confident32 Ų3254 Ų5414%0.1425%0.249CC..Hα-helixtrans-60.4-50.9175.3169-92.4000111.4F366 M367 K381 F382 H387 R388 R389 I471F366-F385 HydrophobicContact CB-CZ 4.25Å; F366-F385 AromaticContact CD2-CD1 3.89Å; F366-F385 HydrophobicContact CD2-CD1 3.89Å; F366-F385 HydrophobicContact CD2-CD2 4.32Å; F366-F385 AromaticContact CD2-CE1 3.59Å; F366-F385 HydrophobicContact CD2-CE1 3.59Å; F366-F385 HydrophobicContact CD2-CE2 4.04Å; F366-F385 HydrophobicContact CD2-CG 4.24Å; F366-F385 AromaticContact CD2-CZ 3.66Å; F366-F385 HydrophobicContact CD2-CZ 3.66Å; F366-F385 AromaticContact CE2-CD1 4Å; F366-F385 HydrophobicContact CE2-CD1 4Å; F366-F385 HydrophobicContact CE2-CE1 4.06Å; F366-F385 HydrophobicContact CE2-CG 4.45Å; F366-F385 HydrophobicContact CG-CZ 4.43Å; F366-F385 WeakPolarHBondContact O-CE2 3.49Å; M367-F385 HydrophobicContact CG-CB 4.33Å; M367-F385 HydrophobicContact CG-CD2 4.4Å; M367-F385 HydrophobicContact CG-CG 4.3Å; K381-F385 PolarHBondContact O-N 3.44Å; F382-F385 HydrophobicContact CD2-CD1 4.21Å; F382-F385 HydrophobicContact CE2-CD1 4.22Å; F382-F385 WeakPolarHBondContact O-CB 3.29Å; F382-F385 PolarHBondContact O-N 2.92Å; F382-F385 VanDerWaalsContact O-N 3.13Å; F385-H387 VanDerWaalsContact C-N 3.35Å; F385-H387 PolarHBondContact O-N 3.16Å; F385-R388 PolarHBondContact O-N 3.32Å; F385-R389 PolarHBondContact O-N 3.39Å; F385-I471 HydrophobicContact CE1-CB 4.48Å; F385-I471 HydrophobicContact CE1-CG2 3.97Å; F385-I471 HydrophobicContact CZ-CG2 4.13Å
386L93.6Very high87.7Confident0 Ų055.7 Ų55.70%026%0.255CS..Hα-helixtrans-63.5-39.5178.4-68.9174.5000112.2F382 N383 R389 H390 F498 V499 W502F382-L386 HydrophobicContact CD1-CD1 4.33Å; F382-L386 HydrophobicContact CD2-CD1 4.25Å; F382-L386 HydrophobicContact CD2-CG 4.07Å; F382-L386 HydrophobicContact CE1-CD1 3.89Å; F382-L386 HydrophobicContact CE2-CD1 3.81Å; F382-L386 HydrophobicContact CE2-CD2 3.9Å; F382-L386 HydrophobicContact CE2-CG 3.68Å; F382-L386 HydrophobicContact CG-CD1 4.5Å; F382-L386 HydrophobicContact CZ-CD1 3.62Å; F382-L386 HydrophobicContact CZ-CD2 4.17Å; F382-L386 HydrophobicContact CZ-CG 4.01Å; F382-L386 PolarHBondContact O-N 3.43Å; N383-L386 PolarHBondContact O-N 3.28Å; L386-R389 PolarHBondContact O-N 3.35Å; L386-H390 WeakPolarHBondContact O-CB 3.29Å; L386-H390 PolarHBondContact O-N 2.72Å; L386-F498 HydrophobicContact CB-CB 3.79Å; L386-F498 HydrophobicContact CD1-CB 4.47Å; L386-V499 HydrophobicContact CD1-CG2 4.13Å; L386-W502 HydrophobicContact CD1-CB 3.69Å; L386-W502 HydrophobicContact CD1-CG 4.02Å; L386-W502 HydrophobicContact CD2-CG 4.38Å
387H90Very high86.3Confident46 Ų4652.8 Ų52.821%0.21324%0.241CC..Hα-helixtrans-57.8-51.1174.5176.2-123.1000111.7N383 R384 F385 R389 H390 V391 F498N383-H387 VanDerWaalsContact O-CB 3.31Å; N383-H387 WeakPolarHBondContact O-CB 3.5Å; N383-H387 PolarHBondContact O-N 2.87Å; R384-H387 PolarHBondContact O-N 3.41Å; F385-H387 VanDerWaalsContact C-N 3.35Å; F385-H387 PolarHBondContact O-N 3.16Å; H387-R389 VanDerWaalsContact C-N 3.28Å; H387-R389 PolarHBondContact O-N 2.82Å; H387-H390 WeakPolarHBondContact O-CB 3.5Å; H387-H390 PolarHBondContact O-N 2.68Å; H387-V391 WeakPolarHBondContact O-CG2 3.36Å; H387-V391 PolarHBondContact O-N 3.48Å; H387-F498 HydrophobicContact CB-CD1 4.5Å; H387-F498 HydrophobicContact CB-CD2 3.68Å; H387-F498 HydrophobicContact CB-CE2 3.76Å; H387-F498 HydrophobicContact CB-CG 4.09Å; H387-F498 HydrophobicContact CB-CZ 4.25Å; H387-F498 AromaticContact CD2-CE1 3.92Å; H387-F498 AromaticContact CD2-CE2 3.33Å; H387-F498 WeakPolarHBondContact CD2-CE2 3.36Å; H387-F498 AromaticContact CD2-CZ 3.21Å; H387-F498 WeakPolarHBondContact CD2-CZ 2.93Å; H387-F498 AromaticContact CG-CE2 3.74Å
388R88.1Confident84.8Confident166 Ų16650.9 Ų50.963%0.62624%0.236SC*.Hα-helixtrans-59.5-41.4178.2-74.4175.7176.7175.8-3.9111.7R384 F385 V391 L392R384-R388 WeakPolarHBondContact O-CG 3.44Å; R384-R388 PolarHBondContact O-N 3.04Å; F385-R388 PolarHBondContact O-N 3.32Å; R388-V391 PolarHBondContact O-N 3.32Å; R388-L392 WeakPolarHBondContact O-CB 3.27Å; R388-L392 PolarHBondContact O-N 2.56Å
389R84.3Confident82.9Confident72 Ų7256.8 Ų56.827%0.27227%0.271SS..Hα-helixtrans-65.4-41.6177.7-168.268.771114.43.6111.9F385 L386 H387 L392 L393 P469 I471F385-R389 PolarHBondContact O-N 3.39Å; L386-R389 PolarHBondContact O-N 3.35Å; H387-R389 VanDerWaalsContact C-N 3.28Å; H387-R389 PolarHBondContact O-N 2.82Å; R389-L392 PolarHBondContact O-N 3.5Å; R389-L393 PolarHBondContact O-N 2.9Å; R389-L393 VanDerWaalsContact O-N 3.07Å; R389-P469 HydrophobicContact CG-CG 3.81Å; R389-I471 PolarHBondContact NH2-O 3.32Å
390H83.2Confident80.7Confident0 Ų061.5 Ų61.50%031%0.305CS..Hα-helixtrans-59.1-51.4174.8-177.9-104.7000111.8L386 H387 L392 L393 C394 C460 L468 F498 R501L386-H390 WeakPolarHBondContact O-CB 3.29Å; L386-H390 PolarHBondContact O-N 2.72Å; H387-H390 WeakPolarHBondContact O-CB 3.5Å; H387-H390 PolarHBondContact O-N 2.68Å; H390-L392 VanDerWaalsContact C-N 3.3Å; H390-L392 PolarHBondContact O-N 3.26Å; H390-L393 PolarHBondContact O-N 2.94Å; H390-L393 VanDerWaalsContact O-N 3.16Å; H390-C394 VanDerWaalsContact CE1-SG 3.53Å; H390-C394 PolarHBondContact O-N 2.87Å; H390-C394 PolarHBondContact O-SG 3.3Å; H390-C460 PolarHBondContact CE1-O 3.45Å; H390-C460 VanDerWaalsContact CE1-O 3.29Å; H390-L468 HydrophobicContact CB-CD1 3.6Å; H390-F498 HydrophobicContact CB-CD1 4.37Å; H390-F498 HydrophobicContact CB-CE1 4.17Å; H390-F498 AromaticContact ND1-CE1 3.91Å; H390-R501 PolarHBondContact CD2-NH2 2.84Å; H390-R501 PolarHBondContact NE2-NH2 3.17Å
391V82.2Confident78.4Confident14 Ų1466 Ų669%0.08532%0.32CS..Hα-helixtrans-58.3-44.3178.6171.40000110.8H387 R388 L393 C394 N395 C460H387-V391 WeakPolarHBondContact O-CG2 3.36Å; H387-V391 PolarHBondContact O-N 3.48Å; R388-V391 PolarHBondContact O-N 3.32Å; V391-L393 VanDerWaalsContact C-N 3.32Å; V391-L393 PolarHBondContact O-N 2.93Å; V391-C394 PolarHBondContact O-N 3.31Å; V391-N395 WeakPolarHBondContact O-CB 3.37Å; V391-N395 PolarHBondContact O-N 2.91Å; V391-N395 PolarHBondContact O-ND2 2.91Å; V391-C460 HydrophobicContact CG1-CB 4.3Å
392L79.2Confident75.9Confident96 Ų9669 Ų6950%0.50334%0.335SS..Hα-helixtrans-58.8-43177.5-176.864.9000112.1R388 R389 H390 N395 L396R388-L392 WeakPolarHBondContact O-CB 3.27Å; R388-L392 PolarHBondContact O-N 2.56Å; R389-L392 PolarHBondContact O-N 3.5Å; H390-L392 VanDerWaalsContact C-N 3.3Å; H390-L392 PolarHBondContact O-N 3.26Å; L392-N395 PolarHBondContact O-N 3.01Å; L392-L396 HydrophobicContact CG-CD1 4.27Å; L392-L396 WeakPolarHBondContact O-CG 3.32Å; L392-L396 PolarHBondContact O-N 3.38Å
393L75.3Confident72.6Confident37 Ų3777.9 Ų77.919%0.19438%0.382CS..Hα-helixtrans-70-40.8178.2-74.3175.2000113.2R389 H390 V391 N395 L396 K397 P469R389-L393 PolarHBondContact O-N 2.9Å; R389-L393 VanDerWaalsContact O-N 3.07Å; H390-L393 PolarHBondContact O-N 2.94Å; H390-L393 VanDerWaalsContact O-N 3.16Å; V391-L393 VanDerWaalsContact C-N 3.32Å; V391-L393 PolarHBondContact O-N 2.93Å; L393-N395 VanDerWaalsContact C-N 3.27Å; L393-N395 PolarHBondContact O-N 3.45Å; L393-L396 HydrophobicContact CD2-CD1 4.39Å; L393-L396 PolarHBondContact O-N 2.66Å; L393-K397 WeakPolarHBondContact O-CG 3.23Å; L393-K397 PolarHBondContact O-N 2.76Å; L393-P469 HydrophobicContact CD1-CB 3.46Å; L393-P469 VanDerWaalsContact CD1-CB 3.46Å; L393-P469 HydrophobicContact CD1-CG 3.23Å
394C75.6Confident69.7Low2 Ų281 Ų811%0.01440%0.404CS..Hα-helixtrans-58.1-44.1173-66.90000110.5H390 V391 L396 K397 N398 C460H390-C394 VanDerWaalsContact CE1-SG 3.53Å; H390-C394 PolarHBondContact O-N 2.87Å; H390-C394 PolarHBondContact O-SG 3.3Å; V391-C394 PolarHBondContact O-N 3.31Å; C394-L396 PolarHBondContact O-N 3.49Å; C394-K397 PolarHBondContact O-N 2.81Å; C394-N398 WeakPolarHBondContact O-CB 3.37Å; C394-N398 PolarHBondContact O-N 2.78Å; C394-N398 PolarHBondContact O-ND2 3.4Å; C394-N398 PolarHBondContact O-OD1 3.32Å; C394-C460 HydrophobicContact CB-CB 3.47Å; C394-C460 VanDerWaalsContact CB-CB 3.47Å; C394-C460 VanDerWaalsContact CB-SG 3.56Å; C394-C460 PolarHBondContact SG-O 3.44Å; C394-C460 VanDerWaalsContact SG-O 3.37Å
395N73.2Confident66.6Low45 Ų4580.6 Ų80.624%0.24142%0.417CS..Hα-helixtrans-61.6-44.2176.5-69.1-15.2000111.9V391 L392 L393 K397 N398 V399 V456 C460V391-N395 WeakPolarHBondContact O-CB 3.37Å; V391-N395 PolarHBondContact O-N 2.91Å; V391-N395 PolarHBondContact O-ND2 2.91Å; L392-N395 PolarHBondContact O-N 3.01Å; L393-N395 VanDerWaalsContact C-N 3.27Å; L393-N395 PolarHBondContact O-N 3.45Å; N395-K397 VanDerWaalsContact C-N 3.31Å; N395-K397 PolarHBondContact O-N 3.25Å; N395-N398 PolarHBondContact O-N 3.49Å; N395-V399 WeakPolarHBondContact O-CG2 3.34Å; N395-V399 PolarHBondContact O-N 3.21Å; N395-V456 VanDerWaalsContact OD1-CG1 3.29Å; N395-V456 WeakPolarHBondContact OD1-CG1 3.26Å; N395-C460 PolarHBondContact OD1-SG 3.41Å
396L69.3Low63.6Low95 Ų9585.5 Ų85.550%0.49745%0.45SS..Hα-helixtrans-63.6-35.9177.6-73167.9000112.6L392 L393 C394 S400L392-L396 HydrophobicContact CG-CD1 4.27Å; L392-L396 WeakPolarHBondContact O-CG 3.32Å; L392-L396 PolarHBondContact O-N 3.38Å; L393-L396 HydrophobicContact CD2-CD1 4.39Å; L393-L396 PolarHBondContact O-N 2.66Å; C394-L396 PolarHBondContact O-N 3.49Å; L396-S400 WeakPolarHBondContact O-CB 3.34Å; L396-S400 PolarHBondContact O-N 2.81Å; L396-S400 PolarHBondContact O-OG 3.39Å
397K63.9Low60.5Low74 Ų7493.8 Ų93.832%0.32249%0.489SS..Hα-helixtrans-70.9-44.7175.2-72.9-174.4178.6-171.80112.1L393 C394 N395 V399 S400 E401 V466L393-K397 WeakPolarHBondContact O-CG 3.23Å; L393-K397 PolarHBondContact O-N 2.76Å; C394-K397 PolarHBondContact O-N 2.81Å; N395-K397 VanDerWaalsContact C-N 3.31Å; N395-K397 PolarHBondContact O-N 3.25Å; K397-V399 VanDerWaalsContact C-N 3.28Å; K397-V399 PolarHBondContact O-N 3.24Å; K397-S400 CarbonylContact O-C 3.48Å; K397-S400 WeakPolarHBondContact O-CA 3.5Å; K397-S400 WeakPolarHBondContact O-CB 3.41Å; K397-S400 PolarHBondContact O-N 3.29Å; K397-E401 PolarHBondContact O-N 2.97Å; K397-V466 HydrophobicContact CD-CG1 4.32Å; K397-V466 HydrophobicContact CD-CG2 4.23Å
398N60.1Low57.7Low75 Ų7597 Ų9740%0.40152%0.516SS..Hα-helixtrans-61.7-37.6177.6-66.5-12.7000111.7C394 N395 S400 E402C394-N398 WeakPolarHBondContact O-CB 3.37Å; C394-N398 PolarHBondContact O-N 2.78Å; C394-N398 PolarHBondContact O-ND2 3.4Å; C394-N398 PolarHBondContact O-OD1 3.32Å; N395-N398 PolarHBondContact O-N 3.49Å; N398-S400 VanDerWaalsContact C-N 3.26Å; N398-S400 PolarHBondContact O-N 2.86Å; N398-E402 PolarHBondContact O-N 3.17Å
399V54.5Low54.9Low123 Ų12395.1 Ų95.175%0.74553%0.525SS*.Hα-helixtrans-67.7-28.2173174.30000111.8N395 K397N395-V399 WeakPolarHBondContact O-CG2 3.34Å; N395-V399 PolarHBondContact O-N 3.21Å; K397-V399 VanDerWaalsContact C-N 3.28Å; K397-V399 PolarHBondContact O-N 3.24Å
400S50.3Low52.2Low100 Ų10097.1 Ų97.170%0.69954%0.54SS*.Hα-helixtrans-81.2-30.8-179.8-60.30000113.5L396 K397 N398L396-S400 WeakPolarHBondContact O-CB 3.34Å; L396-S400 PolarHBondContact O-N 2.81Å; L396-S400 PolarHBondContact O-OG 3.39Å; K397-S400 CarbonylContact O-C 3.48Å; K397-S400 WeakPolarHBondContact O-CA 3.5Å; K397-S400 WeakPolarHBondContact O-CB 3.41Å; K397-S400 PolarHBondContact O-N 3.29Å; N398-S400 VanDerWaalsContact C-N 3.26Å; N398-S400 PolarHBondContact O-N 2.86Å
401E48.4Very low49.5Very low143 Ų143106.8 Ų106.867%0.66858%0.582SS**Hα-helixtrans-100.6-22.5-169.7-79.9-179.5169.900115.1K397K397-E401 PolarHBondContact O-N 2.97Å
402E41.3Very low47Very low151 Ų151112.6 Ų112.671%0.70662%0.618SS**  trans-14395.1-169.7-74.4-170.2178.700114.7N398 P404N398-E402 PolarHBondContact O-N 3.17Å; E402-P404 HydrophobicContact CB-CG 4.45Å
403L28Very low44.6Very low187 Ų187114.9 Ų114.998%0.97963%0.63SS**  trans-92.183.4145.3-77.1169.6000109
404P33.6Very low42.2Very low96 Ų96119.6 Ų119.662%0.62366%0.661SS**  trans-135.7140.7146.527.6-10000113.6E402E402-P404 HydrophobicContact CB-CG 4.45Å
405V29.7Very low39.8Very low138 Ų138126.5 Ų126.584%0.83670%0.696SS**  trans-81.5110.1-178.6176.20000109.4
406V32.6Very low37.7Very low135 Ų135133 Ų13382%0.81873%0.725SS**  trans-148.8125.9155.6-176.20000111.3
407E26.8Very low35.8Very low175 Ų175134.6 Ų134.682%0.81874%0.739SS**  trans-76.4137.6175.3-57.3170.8149.500111.3
408S32.8Very low34.2Very low112 Ų112138.1 Ų138.178%0.78377%0.766SS**  trans-176.6156.914525.70000113.1
409P29.5Very low32.8Very low128 Ų128140.9 Ų140.983%0.83178%0.781SS**  trans-103.6156.1-144.89.711.3000116.1
410I26.9Very low31.6Very low114 Ų114141.7 Ų141.759%0.58578%0.781SS**  trans-71143.6-175.7-62.4151.3000113.3
411K27.5Very low30.6Very low203 Ų203145.1 Ų145.188%0.88379%0.791SS**  trans-148.6100152.7-77.1-173.4179.7177.50109.7
412V28.4Very low29.7Very low136 Ų136143.6 Ų143.682%0.82479%0.791SS**  trans-147.7139.9163.7-172.20000111.3
413N28.2Very low29.2Very low144 Ų144138.8 Ų138.877%0.7778%0.777SS**  trans-84152.9-173.1-70.5-28.8000114.5
414T25.4Very low29.5Very low135 Ų135134.6 Ų134.683%0.82876%0.761SS**  trans-10.7127.3160.7-24.40000118.7
415I26.6Very low29.5Very low148 Ų148134.9 Ų134.976%0.75976%0.757SS**  trans-131.7135.5162.4-63.9177.7000109.7
416E28.2Very low29.6Very low180 Ų180131.8 Ų131.884%0.84174%0.741SS**  trans-77.4152.3-176.6-64.4173.9149.600113.5
417T29.3Very low29.5Very low129 Ų129131 Ų13179%0.79173%0.732SS**  trans-80.5129.2-177.447.70000112.2
418V30.2Very low29.9Very low149 Ų149125.2 Ų125.290%0.90371%0.709SS**  trans-102.6104.9170.8-176.60000109.4
419D30.9Very low29.8Very low132 Ų132125.3 Ų125.371%0.70671%0.705SS**  trans-83.6154.9170.2-96.5-34.4000112.2
420D29Very low30.1Very low140 Ų140122.3 Ų122.375%0.74968%0.681SS**  trans72.4126154.8-74.6-29.3000121.3
421L29.6Very low30.1Very low173 Ų173127.8 Ų127.891%0.90669%0.694SS**  17998.7122.2-89169.8000111.5
422V28.3Very low30.5Very low111 Ų111125.3 Ų125.367%0.67369%0.691SS**  trans-93.9132.7175.4175.30000111
423A31.8Very low30.8Very low50 Ų50125 Ų12541%0.41369%0.689SS.*  trans-156.1153.6170.500000111.6K377 L425K377-A423 PolarHBondContact NZ-O 3.49Å; K377-A423 VanDerWaalsContact NZ-O 3.16Å; A423-L425 PolarHBondContact O-N 3.45Å
424P33.8Very low31.3Very low99 Ų99125.6 Ų125.664%0.64369%0.688SS**SBendtrans-87.8109.1-139.433.5-33.1000113.7
425L33.9Very low32Very low102 Ų102127.9 Ų127.953%0.53469%0.689SS.*SBendtrans-153.6-5.9141.7-95.6167.7000109.1A361 A423 N427 V428A361-L425 HydrophobicContact CB-CD1 4.5Å; A423-L425 PolarHBondContact O-N 3.45Å; L425-N427 PolarHBondContact O-N 3.48Å; L425-V428 PolarHBondContact O-N 3.02Å
426S32.9Very low32.4Very low72 Ų72126 Ų12650%0.50368%0.68SS.*THydrogen-bonded Turntrans-73.4-1.8174.458.30000114.7V428S426-V428 PolarHBondContact O-N 3.18Å
427N29.8Very low32.9Very low119 Ų119124.2 Ų124.264%0.63668%0.681SS**THydrogen-bonded Turntrans-78.9-0.5172.3-73.55.8000112.5L425 V429L425-N427 PolarHBondContact O-N 3.48Å; N427-V429 PolarHBondContact O-N 3.25Å
428V35.7Very low33.5Very low53 Ų53127.4 Ų127.432%0.32168%0.68SS.*  trans-73.978.1159-175.80000107.2V284 L425 S426 L430V284-V428 HydrophobicContact CG1-CB 4.23Å; V284-V428 HydrophobicContact CG1-CG1 3.52Å; V284-V428 HydrophobicContact CG1-CG2 3.81Å; L425-V428 PolarHBondContact O-N 3.02Å; S426-V428 PolarHBondContact O-N 3.18Å; V428-L430 VanDerWaalsContact C-N 3.27Å; V428-L430 HydrophobicContact CG1-CD2 3.94Å; V428-L430 HydrophobicContact CG1-CG 4.18Å; V428-L430 PolarHBondContact O-N 2.97Å
429V30.8Very low33.8Very low115 Ų115123.7 Ų123.770%0.69767%0.672SS**  trans-71.692.8165.1-179.50000105.3N427 R431N427-V429 PolarHBondContact O-N 3.25Å; V429-R431 PolarHBondContact O-N 2.79Å; V429-R431 VanDerWaalsContact O-N 3.12Å
430L34.3Very low34.6Very low64 Ų64123.3 Ų123.334%0.33568%0.675SS.*  trans-62.4111.7158-61.7178.7000104.5Y363 F370 V428 D432Y363-L430 HydrophobicContact CE2-CD1 4.24Å; F370-L430 HydrophobicContact CE2-CD1 4.41Å; F370-L430 HydrophobicContact CE2-CD2 4.48Å; V428-L430 VanDerWaalsContact C-N 3.27Å; V428-L430 HydrophobicContact CG1-CD2 3.94Å; V428-L430 HydrophobicContact CG1-CG 4.18Å; V428-L430 PolarHBondContact O-N 2.97Å; L430-D432 PolarHBondContact O-N 3.37Å
431R28.6Very low35.2Very low230 Ų230121.5 Ų121.587%0.86867%0.671SS**  trans-60.1110.1169.7-71.5179.9-176.7168.31105.4V429 T433V429-R431 PolarHBondContact O-N 2.79Å; V429-R431 VanDerWaalsContact O-N 3.12Å; R431-T433 PolarHBondContact O-N 3.28Å
432D35Very low35.9Very low151 Ų151119.3 Ų119.381%0.80767%0.667SS**  trans-55.1113169.6-77.8-36.9000106.8L430 E434L430-D432 PolarHBondContact O-N 3.37Å; D432-E434 PolarHBondContact O-N 3.23Å
433T35.3Very low36.8Very low129 Ų129121.5 Ų121.579%0.79168%0.675SS**SBendtrans-65.7117.9168.843.20000107.2R431R431-T433 PolarHBondContact O-N 3.28Å
434E38.5Very low37.5Very low157 Ų157124.1 Ų124.173%0.73469%0.69SS**  trans74.184.2161.9-48.6-161.6176.800115.3D432 N436D432-E434 PolarHBondContact O-N 3.23Å; E434-N436 PolarHBondContact O-N 3.4Å
435E38.8Very low37.7Very low182 Ų182125.9 Ų125.985%0.8570%0.701SS**  trans-58.491.1152.5-71.7-174.7165.100108.6V437E435-V437 PolarHBondContact O-N 3.36Å; E435-V437 VanDerWaalsContact O-N 3.08Å
436N35.9Very low38.1Very low108 Ų108126 Ų12658%0.57871%0.71SS**  trans-61.3110.8162.2-76.2-58.3000107.4E434 Y438E434-N436 PolarHBondContact O-N 3.4Å; N436-Y438 VanDerWaalsContact C-N 3.31Å; N436-Y438 HydrophobicContact CB-CD2 4.23Å; N436-Y438 HydrophobicContact CB-CE2 3.74Å; N436-Y438 WeakPolarHBondContact O-CD2 3.11Å; N436-Y438 PolarHBondContact O-N 2.92Å
437V38.1Very low38.7Very low143 Ų143132.7 Ų132.787%0.86773%0.73SS**  trans-67.289.5176.7179.30000108.1E435 G439E435-V437 PolarHBondContact O-N 3.36Å; E435-V437 VanDerWaalsContact O-N 3.08Å; V437-G439 PolarHBondContact O-N 3.25Å
438Y41.4Very low39.4Very low196 Ų196130.7 Ų130.777%0.76972%0.721SS**PPolyproline II helixtrans-74.3117.4170.7-72.5-84.3000108.7N436 T440N436-Y438 VanDerWaalsContact C-N 3.31Å; N436-Y438 HydrophobicContact CB-CD2 4.23Å; N436-Y438 HydrophobicContact CB-CE2 3.74Å; N436-Y438 WeakPolarHBondContact O-CD2 3.11Å; N436-Y438 PolarHBondContact O-N 2.92Å; Y438-T440 PolarHBondContact O-N 2.82Å
439G38.1Very low39.8Very low71 Ų71132.5 Ų132.573%0.73274%0.735SS**PPolyproline II helixtrans-69.5118.7168.800000110.2V437 P441V437-G439 PolarHBondContact O-N 3.25Å; G439-P441 WeakPolarHBondContact O-CD 3.44Å
440T47.3Very low40.3Very low125 Ų125134.4 Ų134.477%0.76773%0.734SS**PPolyproline II helixtrans-68.3122.9174.4-43.70000109.4Y438Y438-T440 PolarHBondContact O-N 2.82Å
441P40.8Very low40.9Very low102 Ų102142.4 Ų142.466%0.66276%0.759SS**PPolyproline II helixtrans-61.6153.3170.7-16.829.8000110.7G439 D443G439-P441 WeakPolarHBondContact O-CD 3.44Å; P441-D443 PolarHBondContact O-N 3.06Å
442P44.6Very low41.8Very low127 Ų127134.3 Ų134.383%0.82574%0.742SS**PPolyproline II helixtrans-59.4136.5179.323.3-32000111.8S444P442-S444 PolarHBondContact O-N 3.04Å
443D46.6Very low42.2Very low157 Ų157131.5 Ų131.584%0.8473%0.73SS**PPolyproline II helixtrans-54.4122-177.7-74.7-43.7000111.6P441P441-D443 PolarHBondContact O-N 3.06Å
444S47.1Very low42.5Very low104 Ų104127 Ų12773%0.72771%0.708SS**PPolyproline II helixtrans-72140.4167.4-71.30000109.8P442 C446P442-S444 PolarHBondContact O-N 3.04Å; S444-C446 PolarHBondContact O-N 3.06Å
445P39.1Very low42.6Very low136 Ų136120 Ų12088%0.88368%0.679SS**  trans-74.987.2-170.230.2-33.7000110.7
446C41.1Very low42.8Very low105 Ų105115 Ų11571%0.70966%0.66SS**  trans-113.4110.5166.8-152.30000108.8S444 V448S444-C446 PolarHBondContact O-N 3.06Å; C446-V448 PolarHBondContact O-N 3.02Å
447K45Very low43.2Very low213 Ų213116 Ų11693%0.92666%0.662SS**  trans-74.215.4-173.9-72.6-171.7177.6-179.50114.5
448V45.4Very low43.4Very low76 Ų76115.2 Ų115.246%0.46165%0.649SS.*SBendtrans-114.1118.8178.4-143.40000108.2C446 F450 A452C446-V448 PolarHBondContact O-N 3.02Å; V448-F450 PolarHBondContact O-N 3.2Å; V448-A452 HydrophobicContact CG1-CB 4.48Å
449P43.6Very low43.3Very low92 Ų92113.6 Ų113.660%0.59765%0.646SS**  trans-54.6128.3176.5-23.832.4000110R451 A452P449-R451 PolarHBondContact O-N 2.86Å; P449-A452 WeakPolarHBondContact O-CB 3.43Å; P449-A452 PolarHBondContact O-N 3.46Å
450F42.4Very low43.7Very low154 Ų154110.3 Ų110.368%0.67561%0.612SS**G310 helixtrans-51.2-27.6-178.8-175.6-100.4000113.5V448 V456V448-F450 PolarHBondContact O-N 3.2Å; F450-V456 HydrophobicContact CE2-CG2 4.09Å; F450-V456 HydrophobicContact CZ-CG2 4.09Å
451R46.5Very low43.7Very low233 Ų233105.9 Ų105.988%0.87959%0.588SS**G310 helixtrans-72-24.8175-71.4-175.1177-179.2-0.7114.6P449 V453P449-R451 PolarHBondContact O-N 2.86Å; R451-V453 VanDerWaalsContact C-N 3.3Å; R451-V453 PolarHBondContact O-N 3.25Å
452A46.4Very low44Very low60 Ų60105.5 Ų105.550%0.49659%0.588SS.*G310 helixtrans-75.5-18.7-178.700000113V448 P449 G454V448-A452 HydrophobicContact CG1-CB 4.48Å; P449-A452 WeakPolarHBondContact O-CB 3.43Å; P449-A452 PolarHBondContact O-N 3.46Å; A452-G454 PolarHBondContact O-N 3.01Å
453V43.1Very low44.3Very low92 Ų92101.4 Ų101.456%0.55856%0.562SS**G310 helixtrans-87.915.1178.6-1590000111.7R451 G455R451-V453 VanDerWaalsContact C-N 3.3Å; R451-V453 PolarHBondContact O-N 3.25Å; V453-G455 PolarHBondContact O-N 3.39Å; V453-G455 VanDerWaalsContact O-N 3.16Å
454G42.9Very low44.6Very low33 Ų33103.6 Ų103.634%0.3456%0.564SS.*THydrogen-bonded Turntrans69.36.6-175.200000114A452 Q458A452-G454 PolarHBondContact O-N 3.01Å; G454-Q458 WeakPolarHBondContact O-CB 3.39Å
455G40.9Very low44.9Very low12 Ų12102.8 Ų102.812%0.12456%0.564CS.*Hα-helixtrans61.9151.9-162.900000111.3V453 E457 Q458V453-G455 PolarHBondContact O-N 3.39Å; V453-G455 VanDerWaalsContact O-N 3.16Å; G455-E457 PolarHBondContact O-N 2.87Å; G455-Q458 PolarHBondContact O-N 3.26Å; G455-Q458 VanDerWaalsContact O-N 3.15Å
456V43.5Very low46Very low75 Ų7597 Ų9746%0.45553%0.525SS..Hα-helixtrans-57.1-18.1173.5-158.50000111.6N395 F450 Q458N395-V456 VanDerWaalsContact OD1-CG1 3.29Å; N395-V456 WeakPolarHBondContact OD1-CG1 3.26Å; F450-V456 HydrophobicContact CE2-CG2 4.09Å; F450-V456 HydrophobicContact CZ-CG2 4.09Å; V456-Q458 PolarHBondContact O-N 3.02Å
457E42.3Very low47.4Very low130 Ų13095 Ų9561%0.60751%0.513SS*.Hα-helixtrans-59.8-39.9176.6-57.4-171.8161.100113.7G455 A461G455-E457 PolarHBondContact O-N 2.87Å; E457-A461 PolarHBondContact O-N 3.4Å
458Q43.2Very low48.7Very low126 Ų12685.1 Ų85.159%0.58947%0.47SS*.Hα-helixtrans-79.6-31.3-172.3-153.6161.924.700112.8G454 G455 V456G454-Q458 WeakPolarHBondContact O-CB 3.39Å; G455-Q458 PolarHBondContact O-N 3.26Å; G455-Q458 VanDerWaalsContact O-N 3.15Å; V456-Q458 PolarHBondContact O-N 3.02Å
459F40.5Very low50.3Low162 Ų16281.5 Ų81.571%0.71145%0.448SS*.Hα-helixtrans-70.3-34177.4-162.8-99.4000112.2
460C46.2Very low52.5Low2 Ų277.1 Ų77.11%0.01442%0.42CS..Hα-helixtrans-86.5-24.7-175.3-74.40000114.2H390 V391 C394 N395 S462H390-C460 PolarHBondContact CE1-O 3.45Å; H390-C460 VanDerWaalsContact CE1-O 3.29Å; V391-C460 HydrophobicContact CG1-CB 4.3Å; C394-C460 HydrophobicContact CB-CB 3.47Å; C394-C460 VanDerWaalsContact CB-CB 3.47Å; C394-C460 VanDerWaalsContact CB-SG 3.56Å; C394-C460 PolarHBondContact SG-O 3.44Å; C394-C460 VanDerWaalsContact SG-O 3.37Å; N395-C460 PolarHBondContact OD1-SG 3.41Å; C460-S462 VanDerWaalsContact C-N 3.34Å; C460-S462 PolarHBondContact O-N 2.82Å
461A45.7Very low54.9Low33 Ų3369.8 Ų69.827%0.27339%0.388SS..Hα-helixtrans-70.7-26.6-177.800000113.5E457E457-A461 PolarHBondContact O-N 3.4Å
462S48.4Very low56.9Low93 Ų9360.3 Ų60.365%0.6535%0.353SS*.SBendtrans-87.8-14.1-175.267.50000114.7C460 K464C460-S462 VanDerWaalsContact C-N 3.34Å; C460-S462 PolarHBondContact O-N 2.82Å; S462-K464 PolarHBondContact O-N 3.28Å
463S50.5Low58.7Low41 Ų4158.4 Ų58.429%0.28734%0.339SS..  trans-67.199.8-178.8-177.30000110.4A465 V466S463-A465 PolarHBondContact O-N 3.4Å; S463-A465 PolarHBondContact OG-N 3.4Å; S463-V466 PolarHBondContact O-N 3.04Å
464K53Low60.6Low204 Ų20458.1 Ų58.189%0.88733%0.332SS*.THydrogen-bonded Turntrans-61.6-18.1168.4-75.8-178178.2176.20112.2S462 V466S462-K464 PolarHBondContact O-N 3.28Å; K464-V466 VanDerWaalsContact C-N 3.34Å
465A53.8Low62.6Low87 Ų8758 Ų5872%0.71932%0.323SS*.THydrogen-bonded Turntrans-73.7-24.7-176.200000112.8S463 S467S463-A465 PolarHBondContact O-N 3.4Å; S463-A465 PolarHBondContact OG-N 3.4Å; A465-S467 PolarHBondContact O-N 2.83Å
466V61.5Low65.1Low13 Ų1358 Ų588%0.07932%0.322CS..SBendtrans-89.2108.7178.3-174.80000109.6K397 S463 K464 L468K397-V466 HydrophobicContact CD-CG1 4.32Å; K397-V466 HydrophobicContact CD-CG2 4.23Å; S463-V466 PolarHBondContact O-N 3.04Å; K464-V466 VanDerWaalsContact C-N 3.34Å; V466-L468 PolarHBondContact O-N 2.85Å
467S69.9Low67.4Low64 Ų6454.5 Ų54.545%0.44830%0.3SS..PPolyproline II helixtrans-56.4131.3170.6-167.90000110.1A465 R505A465-S467 PolarHBondContact O-N 2.83Å; S467-R505 PolarHBondContact OG-NH1 2.89Å
468L72.8Confident69.7Low6 Ų650 Ų503%0.03128%0.278CS..PPolyproline II helixtrans-67126.7179.3-171.864.4000109.4H390 V466 F498 R501 W502 R505H390-L468 HydrophobicContact CB-CD1 3.6Å; V466-L468 PolarHBondContact O-N 2.85Å; L468-F498 HydrophobicContact CD1-CD1 4.09Å; L468-F498 HydrophobicContact CD2-CB 4.4Å; L468-F498 WeakPolarHBondContact CD2-O 3.27Å; L468-R501 VanDerWaalsContact CB-NH2 3.31Å; L468-R501 HydrophobicContact CD2-CB 3.8Å; L468-W502 HydrophobicContact CD2-CB 3.74Å; L468-R505 PolarHBondContact O-NH1 3.38Å
469P78.8Confident72.1Confident0 Ų045.1 Ų45.10%026%0.257CS..PPolyproline II helixtrans-65.3162.217634.7-44.4000111.4R389 L393 G473R389-P469 HydrophobicContact CG-CG 3.81Å; L393-P469 HydrophobicContact CD1-CB 3.46Å; L393-P469 VanDerWaalsContact CD1-CB 3.46Å; L393-P469 HydrophobicContact CD1-CG 3.23Å; P469-G473 WeakPolarHBondContact CB-O 3.41Å
470F91.2Very high74.7Confident0 Ų037.4 Ų37.40%022%0.223CC..BIsolated β-bridgetrans-68.6174.1159.7-65-73.2000111H472 G473 E474 P476 D480 R505 Y509F470-H472 PolarHBondContact O-N 2.84Å; F470-H472 VanDerWaalsContact O-N 3.14Å; F470-G473 CarbonylContact C-O 3.59Å; F470-G473 WeakPolarHBondContact CA-O 3.28Å; F470-G473 WeakPolarHBondContact CB-O 3.29Å; F470-G473 PolarHBondContact N-O 2.91Å; F470-G473 PolarHBondContact O-N 3.41Å; F470-E474 WeakPolarHBondContact CD2-O 3.46Å; F470-P476 HydrophobicContact CD1-CB 3.81Å; F470-P476 HydrophobicContact CD2-CB 3.9Å; F470-P476 HydrophobicContact CD2-CG 4.31Å; F470-P476 HydrophobicContact CE1-CB 3.75Å; F470-P476 HydrophobicContact CE2-CB 3.82Å; F470-P476 VanDerWaalsContact CE2-CD 3.5Å; F470-P476 HydrophobicContact CE2-CG 3.91Å; F470-P476 HydrophobicContact CG-CB 3.87Å; F470-P476 HydrophobicContact CZ-CB 3.74Å; F470-P476 HydrophobicContact CZ-CG 4.02Å; F470-D480 WeakPolarHBondContact CB-OD1 3.4Å; F470-D480 HydrophobicContact CD1-CB 4.42Å; F470-R505 HydrophobicContact CE1-CG 4.07Å; F470-R505 HydrophobicContact CZ-CG 3.77Å; F470-Y509 HydrophobicContact CE1-CE2 4.49Å; F470-Y509 AromaticContact CZ-CE2 3.8Å; F470-Y509 HydrophobicContact CZ-CE2 3.8Å
471I92.3Very high76.9Confident0 Ų038.1 Ų38.10%023%0.226CC..THydrogen-bonded Turntrans-55.2-39.3-171.4-71.2171.3000112.3F366 F382 F385 R389 T479 D480 V483 W502F366-I471 HydrophobicContact CB-CG2 3.57Å; F366-I471 HydrophobicContact CD1-CG2 3.95Å; F366-I471 HydrophobicContact CD2-CG2 3.55Å; F366-I471 HydrophobicContact CE1-CD1 4.15Å; F366-I471 HydrophobicContact CE1-CG2 4.49Å; F366-I471 HydrophobicContact CE2-CD1 4.28Å; F366-I471 HydrophobicContact CE2-CG2 4.15Å; F366-I471 HydrophobicContact CG-CG2 3.42Å; F366-I471 VanDerWaalsContact CG-CG2 3.42Å; F366-I471 HydrophobicContact CZ-CD1 4.02Å; F382-I471 HydrophobicContact CE2-CD1 4.1Å; F382-I471 HydrophobicContact CE2-CG1 4Å; F382-I471 HydrophobicContact CZ-CD1 4.11Å; F382-I471 HydrophobicContact CZ-CG1 4.18Å; F385-I471 HydrophobicContact CE1-CB 4.48Å; F385-I471 HydrophobicContact CE1-CG2 3.97Å; F385-I471 HydrophobicContact CZ-CG2 4.13Å; R389-I471 PolarHBondContact NH2-O 3.32Å; I471-T479 HydrophobicContact CD1-CG2 4.06Å; I471-T479 HydrophobicContact CG2-CG2 4.12Å; I471-D480 VanDerWaalsContact CG1-OD1 3.27Å; I471-D480 WeakPolarHBondContact CG1-OD1 3.17Å; I471-D480 PolarHBondContact N-OD1 2.96Å; I471-V483 HydrophobicContact CD1-CB 4.04Å; I471-V483 HydrophobicContact CD1-CG2 3.66Å; I471-W502 HydrophobicContact CD1-CZ2 4.2Å
472H88.1Confident79.1Confident33 Ų3338.2 Ų38.215%0.15322%0.222CC..THydrogen-bonded Turntrans-109.77.1-174.9-66.1-69.6000114.6F470 L477 T479 V520 R529F470-H472 PolarHBondContact O-N 2.84Å; F470-H472 VanDerWaalsContact O-N 3.14Å; H472-L477 HydrophobicContact CB-CD1 3.67Å; H472-T479 PolarHBondContact NE2-OG1 2.68Å; H472-V520 VanDerWaalsContact CD2-CG2 3.4Å; H472-V520 WeakPolarHBondContact CD2-CG2 3.26Å; H472-V520 VanDerWaalsContact NE2-CG2 3.29Å; H472-V520 WeakPolarHBondContact NE2-CG2 3.4Å; H472-R529 PolarHBondContact O-NH2 3.49Å; H472-R529 VanDerWaalsContact O-NH2 3.17Å
473G85.2Confident81.4Confident20 Ų2033.8 Ų33.821%0.20619%0.191CC..BIsolated β-bridgetrans142.9-151.818000000113.3P469 F470 I475P469-G473 WeakPolarHBondContact CB-O 3.41Å; F470-G473 CarbonylContact C-O 3.59Å; F470-G473 WeakPolarHBondContact CA-O 3.28Å; F470-G473 WeakPolarHBondContact CB-O 3.29Å; F470-G473 PolarHBondContact N-O 2.91Å; F470-G473 PolarHBondContact O-N 3.41Å; G473-I475 VanDerWaalsContact C-N 3.33Å
474E81.2Confident83.5Confident87 Ų8732.6 Ų32.641%0.40718%0.181SC..SBendtrans-79.7-14.7-178.3-66.5-64.1166.200114F470 R505F470-E474 WeakPolarHBondContact CD2-O 3.46Å; E474-R505 IonicContact OE2-NH1 3.68Å; E474-R505 IonicContact OE2-NH2 2.91Å
475I86.8Confident85.3Confident29 Ų2924 Ų2415%0.14914%0.144CC..SBendtrans-102.4130.5-178.5-54.7179.6000108.9G473 L477 M528 R529G473-I475 VanDerWaalsContact C-N 3.33Å; I475-L477 HydrophobicContact CG2-CD2 4.39Å; I475-M528 HydrophobicContact CD1-CB 4.14Å; I475-M528 HydrophobicContact CG2-SD 4.24Å; I475-R529 HydrophobicContact CD1-CB 4.24Å; I475-R529 HydrophobicContact CD1-CG 3.7Å
476P92.6Very high87.2Confident14 Ų1420.4 Ų20.49%0.09111%0.114CC..  trans-72.1135.9175.429.4-32000110.8F470 W517F470-P476 HydrophobicContact CD1-CB 3.81Å; F470-P476 HydrophobicContact CD2-CB 3.9Å; F470-P476 HydrophobicContact CD2-CG 4.31Å; F470-P476 HydrophobicContact CE1-CB 3.75Å; F470-P476 HydrophobicContact CE2-CB 3.82Å; F470-P476 VanDerWaalsContact CE2-CD 3.5Å; F470-P476 HydrophobicContact CE2-CG 3.91Å; F470-P476 HydrophobicContact CG-CB 3.87Å; F470-P476 HydrophobicContact CZ-CB 3.74Å; F470-P476 HydrophobicContact CZ-CG 4.02Å; P476-W517 HydrophobicContact CB-CD2 3.75Å; P476-W517 HydrophobicContact CB-CE3 3.8Å; P476-W517 HydrophobicContact CB-CH2 3.51Å; P476-W517 HydrophobicContact CB-CZ2 3.45Å; P476-W517 VanDerWaalsContact CB-CZ2 3.45Å; P476-W517 HydrophobicContact CB-CZ3 3.7Å; P476-W517 HydrophobicContact CG-CD2 4.15Å; P476-W517 HydrophobicContact CG-CH2 4.19Å; P476-W517 HydrophobicContact CG-CZ2 3.61Å
477L92.5Very high88.8Confident1 Ų119.8 Ų19.81%0.00511%0.11CC..  trans-120.8171.6-179.4-62.1-177.3000111.5H472 I475 T479 D480 Y481 W517 A518 V520 E525H472-L477 HydrophobicContact CB-CD1 3.67Å; I475-L477 HydrophobicContact CG2-CD2 4.39Å; L477-T479 PolarHBondContact O-N 3.46Å; L477-T479 VanDerWaalsContact O-N 3.1Å; L477-D480 PolarHBondContact N-OD2 2.91Å; L477-D480 WeakPolarHBondContact O-CA 3.35Å; L477-D480 WeakPolarHBondContact O-CB 3.3Å; L477-D480 PolarHBondContact O-N 2.98Å; L477-Y481 PolarHBondContact O-N 3.18Å; L477-W517 VanDerWaalsContact O-CE3 3.3Å; L477-A518 WeakPolarHBondContact CA-O 3.35Å; L477-A518 WeakPolarHBondContact CB-O 3.27Å; L477-A518 HydrophobicContact CD2-CB 4.18Å; L477-V520 HydrophobicContact CD1-CG2 3.86Å; L477-E525 HydrophobicContact CD1-CG 4.18Å; L477-E525 WeakPolarHBondContact CD1-OE1 3.32Å; L477-E525 HydrophobicContact CD2-CB 4.26Å; L477-E525 HydrophobicContact CD2-CG 3.8Å
478K90.5Very high89.8Confident34 Ų3420 Ų2015%0.14810%0.101CC..Hα-helixtrans-51.3-36.8176.8-177.159.8166.692.50112.2D344 D480 Y481 D482 A518D344-K478 IonicContact OD2-NZ 2.67Å; K478-D480 VanDerWaalsContact C-N 3.29Å; K478-D480 PolarHBondContact O-N 2.91Å; K478-Y481 HydrophobicContact CD-CD1 4.15Å; K478-Y481 CarbonylContact O-C 3.59Å; K478-Y481 WeakPolarHBondContact O-CB 3.31Å; K478-Y481 PolarHBondContact O-N 3.14Å; K478-Y481 VanDerWaalsContact O-N 3.08Å; K478-D482 IonicContact NZ-OD1 3.89Å; K478-D482 PolarHBondContact NZ-OD1 3.03Å; K478-D482 IonicContact NZ-OD2 2.93Å; K478-D482 PolarHBondContact O-N 3.42Å; K478-A518 PolarHBondContact N-O 3.27Å
479T92Very high90.5Very high24 Ų2428.4 Ų28.415%0.14713%0.134CC..Hα-helixtrans-58.1-38.2174.8-49.70000112.9F366 I471 H472 L477 D482 V483 V520F366-T479 HydrophobicContact CD1-CG2 3.48Å; F366-T479 VanDerWaalsContact CD1-CG2 3.48Å; F366-T479 HydrophobicContact CE1-CG2 3.84Å; F366-T479 HydrophobicContact CG-CG2 4.36Å; I471-T479 HydrophobicContact CD1-CG2 4.06Å; I471-T479 HydrophobicContact CG2-CG2 4.12Å; H472-T479 PolarHBondContact NE2-OG1 2.68Å; L477-T479 PolarHBondContact O-N 3.46Å; L477-T479 VanDerWaalsContact O-N 3.1Å; T479-D482 PolarHBondContact O-N 3.34Å; T479-V483 WeakPolarHBondContact O-CG2 3.4Å; T479-V483 PolarHBondContact O-N 2.94Å; T479-V520 VanDerWaalsContact OG1-CG2 3.28Å; T479-V520 WeakPolarHBondContact OG1-CG2 3.45Å
480D95.3Very high90.9Very high0 Ų029.6 Ų29.60%014%0.142CC..Hα-helixtrans-65.2-42.8175.3-65.3-86.4000110.9F470 I471 L477 K478 V483 F484 W502 W517F470-D480 WeakPolarHBondContact CB-OD1 3.4Å; F470-D480 HydrophobicContact CD1-CB 4.42Å; I471-D480 VanDerWaalsContact CG1-OD1 3.27Å; I471-D480 WeakPolarHBondContact CG1-OD1 3.17Å; I471-D480 PolarHBondContact N-OD1 2.96Å; L477-D480 PolarHBondContact N-OD2 2.91Å; L477-D480 WeakPolarHBondContact O-CA 3.35Å; L477-D480 WeakPolarHBondContact O-CB 3.3Å; L477-D480 PolarHBondContact O-N 2.98Å; K478-D480 VanDerWaalsContact C-N 3.29Å; K478-D480 PolarHBondContact O-N 2.91Å; D480-V483 PolarHBondContact O-N 3.23Å; D480-F484 WeakPolarHBondContact O-CB 3.24Å; D480-F484 PolarHBondContact O-N 3.32Å; D480-W502 HydrophobicContact CB-CZ2 4.04Å; D480-W502 WeakPolarHBondContact O-CZ2 3.45Å; D480-W502 PolarHBondContact OD1-NE1 2.93Å; D480-W517 HydrophobicContact CB-CE3 4.23Å; D480-W517 HydrophobicContact CB-CZ3 3.82Å
481Y93.7Very high90.4Very high17 Ų1736.3 Ų36.37%0.06718%0.183CC..Hα-helixtrans-64.1-40.1175.5-179.5-141.9000111.8L477 K478 V483 F484 E485 M514 A515L477-Y481 PolarHBondContact O-N 3.18Å; K478-Y481 HydrophobicContact CD-CD1 4.15Å; K478-Y481 CarbonylContact O-C 3.59Å; K478-Y481 WeakPolarHBondContact O-CB 3.31Å; K478-Y481 PolarHBondContact O-N 3.14Å; K478-Y481 VanDerWaalsContact O-N 3.08Å; Y481-V483 PolarHBondContact O-N 3.28Å; Y481-F484 HydrophobicContact CD2-CD1 4.42Å; Y481-F484 WeakPolarHBondContact O-CB 3.26Å; Y481-F484 PolarHBondContact O-N 3.36Å; Y481-E485 HydrophobicContact CD2-CG 3.76Å; Y481-E485 HydrophobicContact CE2-CG 3.27Å; Y481-E485 WeakPolarHBondContact O-CB 3.48Å; Y481-E485 PolarHBondContact O-N 3.06Å; Y481-M514 HydrophobicContact CD1-CB 4.4Å; Y481-M514 WeakPolarHBondContact CD1-O 3.41Å; Y481-M514 HydrophobicContact CD2-CB 3.59Å; Y481-M514 HydrophobicContact CD2-CG 4.42Å; Y481-M514 HydrophobicContact CD2-SD 4.11Å; Y481-M514 HydrophobicContact CE2-CB 3.97Å; Y481-M514 HydrophobicContact CE2-CE 4.46Å; Y481-M514 HydrophobicContact CG-CB 3.85Å; Y481-A515 HydrophobicContact CE1-CB 4.03Å
482D92Very high90Very high35 Ų3538.3 Ų38.319%0.18720%0.197CC..Hα-helixtrans-62.9-44.4178.4-66.8-31.6000112.7W364 K478 T479 F484 A486W364-D482 HydrophobicContact CH2-CB 4.34Å; W364-D482 HydrophobicContact CZ3-CB 4.1Å; K478-D482 IonicContact NZ-OD1 3.89Å; K478-D482 PolarHBondContact NZ-OD1 3.03Å; K478-D482 IonicContact NZ-OD2 2.93Å; K478-D482 PolarHBondContact O-N 3.42Å; T479-D482 PolarHBondContact O-N 3.34Å; D482-F484 VanDerWaalsContact C-N 3.35Å; D482-A486 WeakPolarHBondContact O-CB 3.39Å; D482-A486 PolarHBondContact O-N 2.92Å
483V94.7Very high90.1Very high0 Ų037.5 Ų37.50%019%0.194CC..Hα-helixtrans-67.1-40.8175.4174.30000110.3W364 F366 I373 F382 I471 T479 D480 Y481 A486 I487 W502W364-V483 HydrophobicContact CE3-CG2 3.93Å; W364-V483 HydrophobicContact CH2-CG2 3.82Å; W364-V483 HydrophobicContact CZ3-CG2 3.47Å; W364-V483 VanDerWaalsContact CZ3-CG2 3.47Å; F366-V483 HydrophobicContact CE1-CG2 3.57Å; F366-V483 HydrophobicContact CZ-CG2 3.64Å; I373-V483 HydrophobicContact CD1-CB 4.46Å; I373-V483 HydrophobicContact CD1-CG1 3.56Å; I373-V483 HydrophobicContact CD1-CG2 4.13Å; F382-V483 HydrophobicContact CD1-CG1 4.17Å; F382-V483 HydrophobicContact CE1-CG1 3.55Å; F382-V483 HydrophobicContact CE2-CG1 4.48Å; F382-V483 HydrophobicContact CZ-CG1 3.72Å; I471-V483 HydrophobicContact CD1-CB 4.04Å; I471-V483 HydrophobicContact CD1-CG2 3.66Å; T479-V483 WeakPolarHBondContact O-CG2 3.4Å; T479-V483 PolarHBondContact O-N 2.94Å; D480-V483 PolarHBondContact O-N 3.23Å; Y481-V483 PolarHBondContact O-N 3.28Å; V483-A486 WeakPolarHBondContact O-CB 3.21Å; V483-A486 PolarHBondContact O-N 3.08Å; V483-I487 HydrophobicContact CG1-CD1 4.32Å; V483-I487 WeakPolarHBondContact O-CG1 3.4Å; V483-I487 PolarHBondContact O-N 3.46Å; V483-W502 HydrophobicContact CB-CH2 3.86Å; V483-W502 HydrophobicContact CB-CZ2 4.22Å; V483-W502 HydrophobicContact CG1-CH2 3.56Å; V483-W502 HydrophobicContact CG1-CZ2 4.2Å; V483-W502 HydrophobicContact CG1-CZ3 4.01Å
484F95.1Very high90.4Very high16 Ų1643.2 Ų43.27%0.0722%0.22CC..Hα-helixtrans-61.2-50.7179.4177.4-94.8000110.4D480 Y481 D482 A486 I487 R488 W502 Y503 T506 M514D480-F484 WeakPolarHBondContact O-CB 3.24Å; D480-F484 PolarHBondContact O-N 3.32Å; Y481-F484 HydrophobicContact CD2-CD1 4.42Å; Y481-F484 WeakPolarHBondContact O-CB 3.26Å; Y481-F484 PolarHBondContact O-N 3.36Å; D482-F484 VanDerWaalsContact C-N 3.35Å; F484-A486 VanDerWaalsContact C-N 3.25Å; F484-A486 PolarHBondContact O-N 3.37Å; F484-I487 CarbonylContact O-C 3.58Å; F484-I487 PolarHBondContact O-N 3.27Å; F484-I487 VanDerWaalsContact O-N 3.13Å; F484-R488 HydrophobicContact CE1-CB 4.37Å; F484-R488 WeakPolarHBondContact O-CA 3.45Å; F484-R488 VanDerWaalsContact O-CB 3.32Å; F484-R488 WeakPolarHBondContact O-CB 3.47Å; F484-R488 PolarHBondContact O-N 2.74Å; F484-W502 HydrophobicContact CB-CH2 3.92Å; F484-Y503 AromaticContact CD2-CD2 3.81Å; F484-Y503 HydrophobicContact CD2-CD2 3.81Å; F484-Y503 AromaticContact CD2-CE2 3.55Å; F484-Y503 HydrophobicContact CD2-CE2 3.55Å; F484-Y503 AromaticContact CE2-CD2 3.91Å; F484-Y503 HydrophobicContact CE2-CD2 3.91Å; F484-Y503 HydrophobicContact CE2-CE1 4.08Å; F484-Y503 AromaticContact CE2-CE2 3.39Å; F484-Y503 HydrophobicContact CE2-CE2 3.39Å; F484-Y503 HydrophobicContact CE2-CG 4.45Å; F484-Y503 AromaticContact CE2-CZ 3.49Å; F484-Y503 VanDerWaalsContact CE2-CZ 3.49Å; F484-Y503 HydrophobicContact CZ-CE2 4.27Å; F484-T506 HydrophobicContact CB-CG2 3.89Å; F484-T506 HydrophobicContact CD2-CG2 3.72Å; F484-T506 HydrophobicContact CE2-CG2 4.5Å; F484-T506 HydrophobicContact CG-CG2 3.9Å; F484-M514 HydrophobicContact CD1-CE 4.09Å; F484-M514 HydrophobicContact CD1-SD 3.98Å; F484-M514 HydrophobicContact CE1-CE 3.73Å; F484-M514 HydrophobicContact CE1-SD 4.12Å; F484-M514 HydrophobicContact CG-SD 4.39Å; F484-M514 HydrophobicContact CZ-CE 4.35Å
485E91.6Very high91Very high24 Ų2442.6 Ų42.611%0.11223%0.229CC..Hα-helixtrans-58.4-37.3174.8-83.4-71.3105.100112.5R347 Y481 R488R347-E485 IonicContact CZ-OE2 2.77Å; R347-E485 IonicContact NE-OE2 2.68Å; R347-E485 IonicContact NH2-OE2 3.96Å; R347-E485 PolarHBondContact NH2-OE2 3.29Å; Y481-E485 HydrophobicContact CD2-CG 3.76Å; Y481-E485 HydrophobicContact CE2-CG 3.27Å; Y481-E485 WeakPolarHBondContact O-CB 3.48Å; Y481-E485 PolarHBondContact O-N 3.06Å; E485-R488 WeakPolarHBondContact OE1-CD 3.38Å; E485-R488 IonicContact OE1-CZ 3.05Å; E485-R488 IonicContact OE1-NE 3.83Å; E485-R488 IonicContact OE1-NH1 3.19Å; E485-R488 PolarHBondContact OE1-NH1 3.41Å
486A93.1Very high91.3Very high11 Ų1142.3 Ų42.39%0.09123%0.227CC..Hα-helixtrans-64.1-41.8176.800000112W364 I373 R374 D482 V483 F484W364-A486 HydrophobicContact CH2-CB 4.28Å; W364-A486 HydrophobicContact CZ2-CB 4.19Å; I373-A486 HydrophobicContact CG2-CB 3.64Å; R374-A486 VanDerWaalsContact CG-O 3.28Å; R374-A486 WeakPolarHBondContact CG-O 3.38Å; D482-A486 WeakPolarHBondContact O-CB 3.39Å; D482-A486 PolarHBondContact O-N 2.92Å; V483-A486 WeakPolarHBondContact O-CB 3.21Å; V483-A486 PolarHBondContact O-N 3.08Å; F484-A486 VanDerWaalsContact C-N 3.25Å; F484-A486 PolarHBondContact O-N 3.37Å
487I94.6Very high91.3Very high0 Ų045.2 Ų45.20%025%0.245CC..Hα-helixtrans-106.7-0.3-17175.6179.9000115.3I373 L379 F382 V483 F484 Y489 S490 L493 V499 W502 Y503I373-I487 HydrophobicContact CB-CG2 4.35Å; I373-I487 HydrophobicContact CG1-CG2 4Å; I373-I487 HydrophobicContact CG2-CG2 3.75Å; L379-I487 HydrophobicContact CD2-CD1 4.17Å; L379-I487 HydrophobicContact CD2-CG2 4.18Å; F382-I487 HydrophobicContact CD1-CD1 4.49Å; F382-I487 HydrophobicContact CE1-CD1 4.29Å; V483-I487 HydrophobicContact CG1-CD1 4.32Å; V483-I487 WeakPolarHBondContact O-CG1 3.4Å; V483-I487 PolarHBondContact O-N 3.46Å; F484-I487 CarbonylContact O-C 3.58Å; F484-I487 PolarHBondContact O-N 3.27Å; F484-I487 VanDerWaalsContact O-N 3.13Å; I487-Y489 PolarHBondContact O-N 3.12Å; I487-S490 WeakPolarHBondContact CA-OG 3.46Å; I487-S490 WeakPolarHBondContact O-CB 3.44Å; I487-S490 PolarHBondContact O-N 2.9Å; I487-S490 PolarHBondContact O-OG 3.17Å; I487-L493 HydrophobicContact CD1-CD2 4.07Å; I487-V499 HydrophobicContact CD1-CG1 3.75Å; I487-W502 HydrophobicContact CD1-CZ3 3.82Å; I487-W502 HydrophobicContact CG1-CZ3 4.45Å; I487-Y503 HydrophobicContact CD1-CD2 4.33Å; I487-Y503 HydrophobicContact CG1-CD2 4.15Å; I487-Y503 HydrophobicContact CG1-CE2 4.27Å
488R90.9Very high91.3Very high70 Ų7046.5 Ų46.526%0.26425%0.251SS..THydrogen-bonded Turntrans-54.7-26.6-174.167.1-174.8-109.7166.21.6116F484 E485 Y503 E511F484-R488 HydrophobicContact CE1-CB 4.37Å; F484-R488 WeakPolarHBondContact O-CA 3.45Å; F484-R488 VanDerWaalsContact O-CB 3.32Å; F484-R488 WeakPolarHBondContact O-CB 3.47Å; F484-R488 PolarHBondContact O-N 2.74Å; E485-R488 WeakPolarHBondContact OE1-CD 3.38Å; E485-R488 IonicContact OE1-CZ 3.05Å; E485-R488 IonicContact OE1-NE 3.83Å; E485-R488 IonicContact OE1-NH1 3.19Å; E485-R488 PolarHBondContact OE1-NH1 3.41Å; R488-Y503 VanDerWaalsContact CA-OH 3.32Å; R488-Y503 WeakPolarHBondContact CA-OH 3.1Å; R488-Y503 HydrophobicContact CB-CE2 4.46Å; R488-Y503 PolarHBondContact O-OH 3.11Å; R488-E511 IonicContact NH1-OE2 3.09Å
489Y87.4Confident91.6Very high181 Ų18144.9 Ų44.971%0.7124%0.244SC*.THydrogen-bonded Turntrans-101.811.2179.3-57-63.4000113.5I487I487-Y489 PolarHBondContact O-N 3.12Å
490S87.1Confident91.6Very high26 Ų2644.6 Ų44.618%0.18224%0.243CC..  trans-75.1129.2180-51.60000110.3I487I487-S490 WeakPolarHBondContact CA-OG 3.46Å; I487-S490 WeakPolarHBondContact O-CB 3.44Å; I487-S490 PolarHBondContact O-N 2.9Å; I487-S490 PolarHBondContact O-OG 3.17Å
491T82.3Confident91.4Very high141 Ų14148.5 Ų48.587%0.86526%0.257SS*.THydrogen-bonded Turntrans-84.6-17.3-177.651.70000113.6
492C84.1Confident91.5Very high42 Ų4247.8 Ų47.828%0.28425%0.254SS..THydrogen-bonded Turntrans-105.619.6-17060.20000115.1N494 A495 Y496C492-N494 PolarHBondContact O-N 3.34Å; C492-N494 VanDerWaalsContact O-N 3.13Å; C492-A495 PolarHBondContact O-N 2.86Å; C492-Y496 WeakPolarHBondContact O-CD2 3.31Å; C492-Y496 WeakPolarHBondContact O-CE2 2.98Å
493L90Very high91.6Very high16 Ų1648.3 Ų48.38%0.08425%0.254CS..G310 helixtrans-60.9-24.8-177.7-62.9-177.9000113.7L379 I487 A495 Y496 V499 Y503L379-L493 HydrophobicContact CD1-CD2 4.25Å; L379-L493 HydrophobicContact CD2-CD2 3.79Å; I487-L493 HydrophobicContact CD1-CD2 4.07Å; L493-A495 PolarHBondContact O-N 3.08Å; L493-Y496 PolarHBondContact O-N 3.5Å; L493-V499 HydrophobicContact CD2-CG1 4.03Å; L493-Y503 HydrophobicContact CD1-CD1 4.09Å; L493-Y503 HydrophobicContact CD1-CD2 3.76Å; L493-Y503 HydrophobicContact CD1-CE1 4.28Å; L493-Y503 HydrophobicContact CD1-CE2 3.97Å; L493-Y503 HydrophobicContact CD1-CG 3.83Å
494N89.9Confident91.4Very high140 Ų14054.8 Ų54.875%0.74928%0.283SS*.G310 helixtrans-64.2-23.3-179.9-66.6-21.8000113.6C492 Y496C492-N494 PolarHBondContact O-N 3.34Å; C492-N494 VanDerWaalsContact O-N 3.13Å; N494-Y496 PolarHBondContact O-N 3.46Å
495A93.8Very high91.2Very high74 Ų7456.9 Ų56.961%0.61229%0.29SS*.G310 helixtrans-74.4-9.5175.200000113.1C492 L493C492-A495 PolarHBondContact O-N 2.86Å; L493-A495 PolarHBondContact O-N 3.08Å
496Y94.9Very high91.3Very high23 Ų2355.8 Ų55.89%0.0929%0.285CS..  trans-123.585.5-172.5-55.9-76000110E376 L379 S380 N383 C492 L493 N494 F498 V499 C500E376-Y496 VanDerWaalsContact CA-OH 3.29Å; E376-Y496 WeakPolarHBondContact CA-OH 3.4Å; E376-Y496 WeakPolarHBondContact CB-OH 3.2Å; E376-Y496 PolarHBondContact O-OH 2.92Å; E376-Y496 VanDerWaalsContact O-OH 3.13Å; L379-Y496 HydrophobicContact CB-CD1 4.05Å; L379-Y496 HydrophobicContact CB-CD2 3.72Å; L379-Y496 HydrophobicContact CB-CE1 3.88Å; L379-Y496 HydrophobicContact CB-CE2 3.54Å; L379-Y496 HydrophobicContact CB-CG 3.97Å; L379-Y496 HydrophobicContact CD1-CD2 3.89Å; L379-Y496 HydrophobicContact CD1-CE2 3.57Å; L379-Y496 HydrophobicContact CG-CD2 4.34Å; L379-Y496 HydrophobicContact CG-CE2 4.19Å; S380-Y496 WeakPolarHBondContact OG-CE1 3.23Å; N383-Y496 HydrophobicContact CB-CD1 3.97Å; N383-Y496 HydrophobicContact CB-CG 4.47Å; N383-Y496 VanDerWaalsContact OD1-C 3.22Å; C492-Y496 WeakPolarHBondContact O-CD2 3.31Å; C492-Y496 WeakPolarHBondContact O-CE2 2.98Å; L493-Y496 PolarHBondContact O-N 3.5Å; N494-Y496 PolarHBondContact O-N 3.46Å; Y496-F498 VanDerWaalsContact C-N 3.35Å; Y496-F498 PolarHBondContact O-N 3.09Å; Y496-V499 PolarHBondContact O-N 3.32Å; Y496-V499 VanDerWaalsContact O-N 3.14Å; Y496-C500 WeakPolarHBondContact O-CB 3.36Å; Y496-C500 PolarHBondContact O-N 2.82Å
497P92.2Very high91.3Very high74 Ų7458 Ų5848%0.48130%0.3SS..Hα-helixtrans-61.2-36.8-166.421.5-33.5000114.2R501P497-R501 PolarHBondContact O-N 3.26Å
498F93.1Very high91.2Very high28 Ų2862.2 Ų62.212%0.12333%0.329CS..Hα-helixtrans-74.4-38.6178.3-64.9-81.1000111.4N383 L386 H387 H390 L468 Y496 R501 W502N383-F498 WeakPolarHBondContact OD1-CB 3.38Å; N383-F498 PolarHBondContact OD1-N 3.15Å; L386-F498 HydrophobicContact CB-CB 3.79Å; L386-F498 HydrophobicContact CD1-CB 4.47Å; H387-F498 HydrophobicContact CB-CD1 4.5Å; H387-F498 HydrophobicContact CB-CD2 3.68Å; H387-F498 HydrophobicContact CB-CE2 3.76Å; H387-F498 HydrophobicContact CB-CG 4.09Å; H387-F498 HydrophobicContact CB-CZ 4.25Å; H387-F498 AromaticContact CD2-CE1 3.92Å; H387-F498 AromaticContact CD2-CE2 3.33Å; H387-F498 WeakPolarHBondContact CD2-CE2 3.36Å; H387-F498 AromaticContact CD2-CZ 3.21Å; H387-F498 WeakPolarHBondContact CD2-CZ 2.93Å; H387-F498 AromaticContact CG-CE2 3.74Å; H390-F498 HydrophobicContact CB-CD1 4.37Å; H390-F498 HydrophobicContact CB-CE1 4.17Å; H390-F498 AromaticContact ND1-CE1 3.91Å; L468-F498 HydrophobicContact CD1-CD1 4.09Å; L468-F498 HydrophobicContact CD2-CB 4.4Å; L468-F498 WeakPolarHBondContact CD2-O 3.27Å; Y496-F498 VanDerWaalsContact C-N 3.35Å; Y496-F498 PolarHBondContact O-N 3.09Å; F498-R501 PolarHBondContact O-N 3.07Å; F498-W502 WeakPolarHBondContact O-CB 3.29Å; F498-W502 PolarHBondContact O-N 2.8Å
499V95.1Very high91.4Very high0 Ų062.6 Ų62.60%033%0.331CS..Hα-helixtrans-63.1-43.7172.7-178.10000110.4L379 F382 N383 L386 I487 L493 Y496 R501 W502 Y503L379-V499 HydrophobicContact CD2-CG1 4.3Å; F382-V499 HydrophobicContact CB-CG2 4.39Å; F382-V499 HydrophobicContact CD1-CB 4.39Å; F382-V499 HydrophobicContact CD1-CG1 3.94Å; F382-V499 HydrophobicContact CD1-CG2 3.63Å; F382-V499 HydrophobicContact CE1-CG1 4.03Å; F382-V499 HydrophobicContact CE1-CG2 4.22Å; F382-V499 HydrophobicContact CG-CG2 4.19Å; N383-V499 HydrophobicContact CB-CG2 3.69Å; N383-V499 PolarHBondContact OD1-N 3.48Å; L386-V499 HydrophobicContact CD1-CG2 4.13Å; I487-V499 HydrophobicContact CD1-CG1 3.75Å; L493-V499 HydrophobicContact CD2-CG1 4.03Å; Y496-V499 PolarHBondContact O-N 3.32Å; Y496-V499 VanDerWaalsContact O-N 3.14Å; V499-R501 PolarHBondContact O-N 3.27Å; V499-W502 PolarHBondContact O-N 2.6Å; V499-Y503 WeakPolarHBondContact O-CB 3.36Å; V499-Y503 PolarHBondContact O-N 2.7Å
500C92.4Very high91.7Very high19 Ų1956.7 Ų56.713%0.12832%0.316CS..Hα-helixtrans-61.3-43.7178.1-174.20000112Y496 Y503 K504Y496-C500 WeakPolarHBondContact O-CB 3.36Å; Y496-C500 PolarHBondContact O-N 2.82Å; C500-Y503 PolarHBondContact O-N 2.84Å; C500-K504 WeakPolarHBondContact O-CB 3.44Å; C500-K504 VanDerWaalsContact O-CG 3.31Å; C500-K504 WeakPolarHBondContact O-CG 3.38Å; C500-K504 PolarHBondContact O-N 3.12Å
501R92.1Very high91.9Very high82 Ų8260.3 Ų60.331%0.30933%0.33SS..Hα-helixtrans-61.2-49.1174.3-97.2175.521.6161.9-9.4112.2H390 L468 P497 F498 V499 Y503 K504 R505H390-R501 PolarHBondContact CD2-NH2 2.84Å; H390-R501 PolarHBondContact NE2-NH2 3.17Å; L468-R501 VanDerWaalsContact CB-NH2 3.31Å; L468-R501 HydrophobicContact CD2-CB 3.8Å; P497-R501 PolarHBondContact O-N 3.26Å; F498-R501 PolarHBondContact O-N 3.07Å; V499-R501 PolarHBondContact O-N 3.27Å; R501-Y503 VanDerWaalsContact C-N 3.35Å; R501-K504 PolarHBondContact O-N 2.84Å; R501-R505 PolarHBondContact O-N 3.07Å; R501-R505 VanDerWaalsContact O-N 3.12Å
502W94.3Very high92.3Very high1 Ų156.9 Ų56.90%0.00432%0.316CS..Hα-helixtrans-60.6-47.1177.8168.886.3000110.4F382 L386 L468 I471 D480 V483 F484 I487 F498 V499 K504 R505 T506F382-W502 HydrophobicContact CE1-CD2 4.15Å; F382-W502 AromaticContact CE1-CE3 3.7Å; F382-W502 HydrophobicContact CE1-CE3 3.7Å; F382-W502 HydrophobicContact CE1-CH2 4.32Å; F382-W502 AromaticContact CE1-CZ3 3.82Å; F382-W502 HydrophobicContact CE1-CZ3 3.82Å; F382-W502 AromaticContact CZ-CD2 3.9Å; F382-W502 HydrophobicContact CZ-CD2 3.9Å; F382-W502 AromaticContact CZ-CE3 3.93Å; F382-W502 HydrophobicContact CZ-CE3 3.93Å; F382-W502 HydrophobicContact CZ-CG 4.49Å; F382-W502 HydrophobicContact CZ-CH2 4.32Å; F382-W502 HydrophobicContact CZ-CZ2 4.26Å; F382-W502 HydrophobicContact CZ-CZ3 4.17Å; L386-W502 HydrophobicContact CD1-CB 3.69Å; L386-W502 HydrophobicContact CD1-CG 4.02Å; L386-W502 HydrophobicContact CD2-CG 4.38Å; L468-W502 HydrophobicContact CD2-CB 3.74Å; I471-W502 HydrophobicContact CD1-CZ2 4.2Å; D480-W502 HydrophobicContact CB-CZ2 4.04Å; D480-W502 WeakPolarHBondContact O-CZ2 3.45Å; D480-W502 PolarHBondContact OD1-NE1 2.93Å; V483-W502 HydrophobicContact CB-CH2 3.86Å; V483-W502 HydrophobicContact CB-CZ2 4.22Å; V483-W502 HydrophobicContact CG1-CH2 3.56Å; V483-W502 HydrophobicContact CG1-CZ2 4.2Å; V483-W502 HydrophobicContact CG1-CZ3 4.01Å; F484-W502 HydrophobicContact CB-CH2 3.92Å; I487-W502 HydrophobicContact CD1-CZ3 3.82Å; I487-W502 HydrophobicContact CG1-CZ3 4.45Å; F498-W502 WeakPolarHBondContact O-CB 3.29Å; F498-W502 PolarHBondContact O-N 2.8Å; V499-W502 PolarHBondContact O-N 2.6Å; W502-K504 PolarHBondContact O-N 2.89Å; W502-R505 CarbonylContact O-C 3.59Å; W502-R505 WeakPolarHBondContact O-CB 3.39Å; W502-R505 PolarHBondContact O-N 3.23Å; W502-R505 VanDerWaalsContact O-N 3.09Å; W502-T506 HydrophobicContact CZ2-CG2 4.37Å; W502-T506 PolarHBondContact O-N 3.04Å; W502-T506 PolarHBondContact O-OG1 3.3Å
503Y94.4Very high92.8Very high47 Ų4759.5 Ų59.518%0.18432%0.324CS..Hα-helixtrans-59.3-44.7-179.7-173-87.7000111.9F484 I487 R488 L493 V499 C500 R501 R505 T506 S507F484-Y503 AromaticContact CD2-CD2 3.81Å; F484-Y503 HydrophobicContact CD2-CD2 3.81Å; F484-Y503 AromaticContact CD2-CE2 3.55Å; F484-Y503 HydrophobicContact CD2-CE2 3.55Å; F484-Y503 AromaticContact CE2-CD2 3.91Å; F484-Y503 HydrophobicContact CE2-CD2 3.91Å; F484-Y503 HydrophobicContact CE2-CE1 4.08Å; F484-Y503 AromaticContact CE2-CE2 3.39Å; F484-Y503 HydrophobicContact CE2-CE2 3.39Å; F484-Y503 HydrophobicContact CE2-CG 4.45Å; F484-Y503 AromaticContact CE2-CZ 3.49Å; F484-Y503 VanDerWaalsContact CE2-CZ 3.49Å; F484-Y503 HydrophobicContact CZ-CE2 4.27Å; I487-Y503 HydrophobicContact CD1-CD2 4.33Å; I487-Y503 HydrophobicContact CG1-CD2 4.15Å; I487-Y503 HydrophobicContact CG1-CE2 4.27Å; R488-Y503 VanDerWaalsContact CA-OH 3.32Å; R488-Y503 WeakPolarHBondContact CA-OH 3.1Å; R488-Y503 HydrophobicContact CB-CE2 4.46Å; R488-Y503 PolarHBondContact O-OH 3.11Å; L493-Y503 HydrophobicContact CD1-CD1 4.09Å; L493-Y503 HydrophobicContact CD1-CD2 3.76Å; L493-Y503 HydrophobicContact CD1-CE1 4.28Å; L493-Y503 HydrophobicContact CD1-CE2 3.97Å; L493-Y503 HydrophobicContact CD1-CG 3.83Å; V499-Y503 WeakPolarHBondContact O-CB 3.36Å; V499-Y503 PolarHBondContact O-N 2.7Å; C500-Y503 PolarHBondContact O-N 2.84Å; R501-Y503 VanDerWaalsContact C-N 3.35Å; Y503-R505 VanDerWaalsContact C-N 3.35Å; Y503-R505 PolarHBondContact O-N 2.92Å; Y503-T506 PolarHBondContact O-N 3.36Å; Y503-S507 VanDerWaalsContact O-CB 3.25Å; Y503-S507 WeakPolarHBondContact O-CB 3.35Å; Y503-S507 PolarHBondContact O-N 3.07Å; Y503-S507 PolarHBondContact O-OG 3.01Å
504K91.4Very high92.9Very high136 Ų13659 Ų5959%0.59132%0.322SS*.Hα-helixtrans-59.6-44.5175.1-75.6174.4179.2178.30111.7C500 R501 W502 S507 S508C500-K504 WeakPolarHBondContact O-CB 3.44Å; C500-K504 VanDerWaalsContact O-CG 3.31Å; C500-K504 WeakPolarHBondContact O-CG 3.38Å; C500-K504 PolarHBondContact O-N 3.12Å; R501-K504 PolarHBondContact O-N 2.84Å; W502-K504 PolarHBondContact O-N 2.89Å; K504-S507 WeakPolarHBondContact CA-OG 3.45Å; K504-S507 PolarHBondContact O-N 3.29Å; K504-S507 PolarHBondContact O-OG 3.2Å; K504-S508 PolarHBondContact O-N 3.11Å
505R91.6Very high92.8Very high60 Ų6055 Ų5523%0.22631%0.308CS..Hα-helixtrans-64.6-41.5176.8-173.8177.3179.4169-1.7111.9S467 L468 F470 E474 R501 W502 Y503 S508 Y509S467-R505 PolarHBondContact OG-NH1 2.89Å; L468-R505 PolarHBondContact O-NH1 3.38Å; F470-R505 HydrophobicContact CE1-CG 4.07Å; F470-R505 HydrophobicContact CZ-CG 3.77Å; E474-R505 IonicContact OE2-NH1 3.68Å; E474-R505 IonicContact OE2-NH2 2.91Å; R501-R505 PolarHBondContact O-N 3.07Å; R501-R505 VanDerWaalsContact O-N 3.12Å; W502-R505 CarbonylContact O-C 3.59Å; W502-R505 WeakPolarHBondContact O-CB 3.39Å; W502-R505 PolarHBondContact O-N 3.23Å; W502-R505 VanDerWaalsContact O-N 3.09Å; Y503-R505 VanDerWaalsContact C-N 3.35Å; Y503-R505 PolarHBondContact O-N 2.92Å; R505-S508 PolarHBondContact O-OG 3.48Å; R505-Y509 WeakPolarHBondContact O-CD2 3.35Å; R505-Y509 WeakPolarHBondContact O-CE2 3.39Å
506T93.2Very high92.6Very high0 Ų058.1 Ų58.10%031%0.31CS..Hα-helixtrans-69.3-38.4177.5-52.40000111.3F484 W502 Y503 S508 Y509 M514 W517F484-T506 HydrophobicContact CB-CG2 3.89Å; F484-T506 HydrophobicContact CD2-CG2 3.72Å; F484-T506 HydrophobicContact CE2-CG2 4.5Å; F484-T506 HydrophobicContact CG-CG2 3.9Å; W502-T506 HydrophobicContact CZ2-CG2 4.37Å; W502-T506 PolarHBondContact O-N 3.04Å; W502-T506 PolarHBondContact O-OG1 3.3Å; Y503-T506 PolarHBondContact O-N 3.36Å; T506-S508 PolarHBondContact O-N 3.39Å; T506-Y509 PolarHBondContact O-N 3.35Å; T506-M514 HydrophobicContact CG2-SD 4.03Å; T506-W517 HydrophobicContact CG2-CH2 3.77Å; T506-W517 HydrophobicContact CG2-CZ3 3.88Å
507S92.3Very high92.4Very high58 Ų5858.1 Ų58.141%0.40631%0.31SS..THydrogen-bonded Turntrans-69.9-11-179.668.60000115.1Y503 K504 Y509Y503-S507 VanDerWaalsContact O-CB 3.25Å; Y503-S507 WeakPolarHBondContact O-CB 3.35Å; Y503-S507 PolarHBondContact O-N 3.07Å; Y503-S507 PolarHBondContact O-OG 3.01Å; K504-S507 WeakPolarHBondContact CA-OG 3.45Å; K504-S507 PolarHBondContact O-N 3.29Å; K504-S507 PolarHBondContact O-OG 3.2Å; S507-Y509 PolarHBondContact O-N 3.24Å
508S93Very high92.3Very high89 Ų8954.6 Ų54.662%0.62229%0.287SS*.THydrogen-bonded Turntrans-75.5-13.1175.266.60000113.1K504 R505 T506K504-S508 PolarHBondContact O-N 3.11Å; R505-S508 PolarHBondContact O-OG 3.48Å; T506-S508 PolarHBondContact O-N 3.39Å
509Y94.3Very high92Very high77 Ų7755.6 Ų55.630%0.30230%0.296SS..SBendtrans-92145.7175.5-62-95.8000110.1F470 R505 T506 S507 W517F470-Y509 HydrophobicContact CE1-CE2 4.49Å; F470-Y509 AromaticContact CZ-CE2 3.8Å; F470-Y509 HydrophobicContact CZ-CE2 3.8Å; R505-Y509 WeakPolarHBondContact O-CD2 3.35Å; R505-Y509 WeakPolarHBondContact O-CE2 3.39Å; T506-Y509 PolarHBondContact O-N 3.35Å; S507-Y509 PolarHBondContact O-N 3.24Å; Y509-W517 AromaticContact CD1-CZ2 3.95Å; Y509-W517 HydrophobicContact CD1-CZ2 3.95Å; Y509-W517 HydrophobicContact CD2-CH2 4.18Å; Y509-W517 AromaticContact CD2-CZ2 3.84Å; Y509-W517 HydrophobicContact CD2-CZ2 3.84Å; Y509-W517 HydrophobicContact CE1-CZ2 4.45Å; Y509-W517 HydrophobicContact CE2-CZ2 4.38Å; Y509-W517 HydrophobicContact CG-CH2 4.3Å; Y509-W517 AromaticContact CG-CZ2 3.6Å; Y509-W517 HydrophobicContact CG-CZ2 3.6Å
510S94.9Very high91.5Very high57 Ų5759 Ų5940%0.39932%0.317SS..  trans-70.7155.9174.8680000111.6A512 E513 M514S510-A512 PolarHBondContact O-N 2.94Å; S510-E513 WeakPolarHBondContact CB-OE2 3.48Å; S510-E513 PolarHBondContact N-OE2 2.87Å; S510-E513 PolarHBondContact O-N 2.9Å; S510-E513 VanDerWaalsContact O-N 3.14Å; S510-E513 VanDerWaalsContact OG-CD 3.27Å; S510-E513 VanDerWaalsContact OG-CG 3.22Å; S510-E513 WeakPolarHBondContact OG-CG 3.21Å; S510-E513 PolarHBondContact OG-N 2.77Å; S510-E513 PolarHBondContact OG-OE2 3.48Å; S510-M514 WeakPolarHBondContact O-CG 3.23Å; S510-M514 PolarHBondContact O-N 3Å
511E90.3Very high91Very high102 Ų10260 Ų6048%0.47733%0.331SS..Hα-helixtrans-61-33.8178.9-169.8171.8164.100112.5R488 M514 A515R488-E511 IonicContact NH1-OE2 3.09Å; E511-M514 HydrophobicContact CB-CE 4.38Å; E511-M514 PolarHBondContact O-N 3.18Å; E511-A515 VanDerWaalsContact O-CB 3.31Å; E511-A515 WeakPolarHBondContact O-CB 3.18Å; E511-A515 PolarHBondContact O-N 3.49Å
512A92.2Very high90.7Very high69 Ų6957.1 Ų57.157%0.5732%0.323SS*.Hα-helixtrans-63.5-46174.400000111.6S510 A515 E516S510-A512 PolarHBondContact O-N 2.94Å; A512-A515 PolarHBondContact O-N 3.46Å; A512-E516 PolarHBondContact O-N 2.77Å
513E92.8Very high90.3Very high97 Ų9762.3 Ų62.345%0.45336%0.356SS..Hα-helixtrans-63.9-43.4176.4-70.9165.5129.600111.8S510 A515 E516 W517S510-E513 WeakPolarHBondContact CB-OE2 3.48Å; S510-E513 PolarHBondContact N-OE2 2.87Å; S510-E513 PolarHBondContact O-N 2.9Å; S510-E513 VanDerWaalsContact O-N 3.14Å; S510-E513 VanDerWaalsContact OG-CD 3.27Å; S510-E513 VanDerWaalsContact OG-CG 3.22Å; S510-E513 WeakPolarHBondContact OG-CG 3.21Å; S510-E513 PolarHBondContact OG-N 2.77Å; S510-E513 PolarHBondContact OG-OE2 3.48Å; E513-A515 VanDerWaalsContact C-N 3.33Å; E513-A515 PolarHBondContact O-N 2.81Å; E513-E516 PolarHBondContact O-N 2.73Å; E513-E516 VanDerWaalsContact O-N 3.14Å; E513-W517 PolarHBondContact O-NE1 3.08Å
514M91.9Very high89.9Confident7 Ų765.4 Ų65.43%0.03437%0.368CS..Hα-helixtrans-63.4-38.9178.8-67.8-169.7-76.300112.4Y481 F484 T506 S510 E511 E516 W517Y481-M514 HydrophobicContact CD1-CB 4.4Å; Y481-M514 WeakPolarHBondContact CD1-O 3.41Å; Y481-M514 HydrophobicContact CD2-CB 3.59Å; Y481-M514 HydrophobicContact CD2-CG 4.42Å; Y481-M514 HydrophobicContact CD2-SD 4.11Å; Y481-M514 HydrophobicContact CE2-CB 3.97Å; Y481-M514 HydrophobicContact CE2-CE 4.46Å; Y481-M514 HydrophobicContact CG-CB 3.85Å; F484-M514 HydrophobicContact CD1-CE 4.09Å; F484-M514 HydrophobicContact CD1-SD 3.98Å; F484-M514 HydrophobicContact CE1-CE 3.73Å; F484-M514 HydrophobicContact CE1-SD 4.12Å; F484-M514 HydrophobicContact CG-SD 4.39Å; F484-M514 HydrophobicContact CZ-CE 4.35Å; T506-M514 HydrophobicContact CG2-SD 4.03Å; S510-M514 WeakPolarHBondContact O-CG 3.23Å; S510-M514 PolarHBondContact O-N 3Å; E511-M514 HydrophobicContact CB-CE 4.38Å; E511-M514 PolarHBondContact O-N 3.18Å; M514-E516 PolarHBondContact O-N 3.38Å; M514-W517 HydrophobicContact CB-CD2 4.35Å; M514-W517 HydrophobicContact CB-CE3 4.29Å; M514-W517 HydrophobicContact CB-CH2 4.37Å; M514-W517 HydrophobicContact CB-CZ2 4.4Å; M514-W517 HydrophobicContact CB-CZ3 4.29Å; M514-W517 HydrophobicContact CG-CD2 4.46Å; M514-W517 HydrophobicContact CG-CE3 4.34Å; M514-W517 HydrophobicContact CG-CH2 3.55Å; M514-W517 HydrophobicContact CG-CZ2 3.66Å; M514-W517 HydrophobicContact CG-CZ3 3.9Å; M514-W517 WeakPolarHBondContact O-CB 3.3Å; M514-W517 PolarHBondContact O-N 3.1Å; M514-W517 HydrophobicContact SD-CH2 4.1Å; M514-W517 HydrophobicContact SD-CZ3 4.35Å
515A88.4Confident89.7Confident55 Ų5559.3 Ų59.346%0.45534%0.341SS..Hα-helixtrans-64-25.3176.400000112.8Y481 E511 A512 E513Y481-A515 HydrophobicContact CE1-CB 4.03Å; E511-A515 VanDerWaalsContact O-CB 3.31Å; E511-A515 WeakPolarHBondContact O-CB 3.18Å; E511-A515 PolarHBondContact O-N 3.49Å; A512-A515 PolarHBondContact O-N 3.46Å; E513-A515 VanDerWaalsContact C-N 3.33Å; E513-A515 PolarHBondContact O-N 2.81Å
516E89.7Confident89.4Confident140 Ų14064.7 Ų64.765%0.65436%0.362SS*.THydrogen-bonded Turntrans-88.51.6177.7-69.6-175.717900114.1A512 E513 M514 R524A512-E516 PolarHBondContact O-N 2.77Å; E513-E516 PolarHBondContact O-N 2.73Å; E513-E516 VanDerWaalsContact O-N 3.14Å; M514-E516 PolarHBondContact O-N 3.38Å; E516-R524 PolarHBondContact O-NH1 3.31Å; E516-R524 VanDerWaalsContact O-NH1 3.1Å; E516-R524 PolarHBondContact O-NH2 2.85Å
517W90.5Very high89.1Confident22 Ų2268.3 Ų68.38%0.08338%0.381CS..PPolyproline II helixtrans-67142.7-179.8-70.3-10.2000114P476 L477 D480 T506 Y509 E513 M514 R524P476-W517 HydrophobicContact CB-CD2 3.75Å; P476-W517 HydrophobicContact CB-CE3 3.8Å; P476-W517 HydrophobicContact CB-CH2 3.51Å; P476-W517 HydrophobicContact CB-CZ2 3.45Å; P476-W517 VanDerWaalsContact CB-CZ2 3.45Å; P476-W517 HydrophobicContact CB-CZ3 3.7Å; P476-W517 HydrophobicContact CG-CD2 4.15Å; P476-W517 HydrophobicContact CG-CH2 4.19Å; P476-W517 HydrophobicContact CG-CZ2 3.61Å; L477-W517 VanDerWaalsContact O-CE3 3.3Å; D480-W517 HydrophobicContact CB-CE3 4.23Å; D480-W517 HydrophobicContact CB-CZ3 3.82Å; T506-W517 HydrophobicContact CG2-CH2 3.77Å; T506-W517 HydrophobicContact CG2-CZ3 3.88Å; Y509-W517 AromaticContact CD1-CZ2 3.95Å; Y509-W517 HydrophobicContact CD1-CZ2 3.95Å; Y509-W517 HydrophobicContact CD2-CH2 4.18Å; Y509-W517 AromaticContact CD2-CZ2 3.84Å; Y509-W517 HydrophobicContact CD2-CZ2 3.84Å; Y509-W517 HydrophobicContact CE1-CZ2 4.45Å; Y509-W517 HydrophobicContact CE2-CZ2 4.38Å; Y509-W517 HydrophobicContact CG-CH2 4.3Å; Y509-W517 AromaticContact CG-CZ2 3.6Å; Y509-W517 HydrophobicContact CG-CZ2 3.6Å; E513-W517 PolarHBondContact O-NE1 3.08Å; M514-W517 HydrophobicContact CB-CD2 4.35Å; M514-W517 HydrophobicContact CB-CE3 4.29Å; M514-W517 HydrophobicContact CB-CH2 4.37Å; M514-W517 HydrophobicContact CB-CZ2 4.4Å; M514-W517 HydrophobicContact CB-CZ3 4.29Å; M514-W517 HydrophobicContact CG-CD2 4.46Å; M514-W517 HydrophobicContact CG-CE3 4.34Å; M514-W517 HydrophobicContact CG-CH2 3.55Å; M514-W517 HydrophobicContact CG-CZ2 3.66Å; M514-W517 HydrophobicContact CG-CZ3 3.9Å; M514-W517 WeakPolarHBondContact O-CB 3.3Å; M514-W517 PolarHBondContact O-N 3.1Å; M514-W517 HydrophobicContact SD-CH2 4.1Å; M514-W517 HydrophobicContact SD-CZ3 4.35Å; W517-R524 PolarHBondContact O-NH2 3.39Å
518A89.9Confident88.6Confident0 Ų068.4 Ų68.40%038%0.376CS..PPolyproline II helixtrans-66.7138.7-176.800000113L477 K478 R524 E525 M528L477-A518 WeakPolarHBondContact CA-O 3.35Å; L477-A518 WeakPolarHBondContact CB-O 3.27Å; L477-A518 HydrophobicContact CD2-CB 4.18Å; K478-A518 PolarHBondContact N-O 3.27Å; A518-R524 VanDerWaalsContact CA-NH2 3.3Å; A518-R524 HydrophobicContact CB-CB 4.16Å; A518-R524 HydrophobicContact CB-CG 4.23Å; A518-E525 HydrophobicContact CB-CB 3.96Å; A518-M528 HydrophobicContact CB-CE 3.58Å
519P86.7Confident87.9Confident49 Ų4968.9 Ų68.932%0.31836%0.364SS..PPolyproline II helixtrans-62150.9163.2-19.732.1000111.2S522P519-S522 VanDerWaalsContact O-CB 3.26Å; P519-S522 WeakPolarHBondContact O-CB 3.34Å; P519-S522 PolarHBondContact O-N 3.15Å; P519-S522 PolarHBondContact O-OG 3.39Å
520V85.6Confident87.2Confident73 Ų7373.8 Ų73.844%0.44238%0.383SS..THydrogen-bonded Turntrans-62.8139.8175.2-174.90000109.8H472 L477 T479 S522 E525H472-V520 VanDerWaalsContact CD2-CG2 3.4Å; H472-V520 WeakPolarHBondContact CD2-CG2 3.26Å; H472-V520 VanDerWaalsContact NE2-CG2 3.29Å; H472-V520 WeakPolarHBondContact NE2-CG2 3.4Å; L477-V520 HydrophobicContact CD1-CG2 3.86Å; T479-V520 VanDerWaalsContact OG1-CG2 3.28Å; T479-V520 WeakPolarHBondContact OG1-CG2 3.45Å; V520-S522 PolarHBondContact O-N 3.32Å; V520-E525 VanDerWaalsContact CA-OE2 3.28Å; V520-E525 WeakPolarHBondContact CA-OE2 3.49Å
521G82.3Confident86.3Confident40 Ų4076.8 Ų76.841%0.41239%0.389SS..THydrogen-bonded Turntrans77.8-10.7-177.800000115.1E525 R526G521-E525 PolarHBondContact N-OE2 2.77Å; G521-R526 PolarHBondContact O-NE 3.1Å; G521-R526 PolarHBondContact O-NH2 3.15Å
522S85.2Confident85.1Confident21 Ų2174 Ų7415%0.14738%0.381CS..  trans-67.8151.9-173.869.80000112.7P519 V520 R524 E525 R526P519-S522 VanDerWaalsContact O-CB 3.26Å; P519-S522 WeakPolarHBondContact O-CB 3.34Å; P519-S522 PolarHBondContact O-N 3.15Å; P519-S522 PolarHBondContact O-OG 3.39Å; V520-S522 PolarHBondContact O-N 3.32Å; S522-R524 PolarHBondContact O-N 3.42Å; S522-E525 WeakPolarHBondContact O-CB 3.27Å; S522-E525 PolarHBondContact O-N 3.29Å; S522-E525 VanDerWaalsContact O-N 3.09Å; S522-E525 PolarHBondContact OG-N 2.92Å; S522-R526 PolarHBondContact O-N 3.2Å
523P85.2Confident83.5Confident109 Ų10977.1 Ų77.171%0.70838%0.384SS*.Hα-helixtrans-54.7-34.5173.5-27.135.2000113R526 D527P523-R526 PolarHBondContact O-N 2.89Å; P523-D527 PolarHBondContact O-N 3.34Å
524R87Confident81.5Confident112 Ų11274.4 Ų74.442%0.42338%0.376SS..Hα-helixtrans-64.6-41.6177.5-168175.765.8179.2-2.5112.3E516 W517 A518 S522 M528E516-R524 PolarHBondContact O-NH1 3.31Å; E516-R524 VanDerWaalsContact O-NH1 3.1Å; E516-R524 PolarHBondContact O-NH2 2.85Å; W517-R524 PolarHBondContact O-NH2 3.39Å; A518-R524 VanDerWaalsContact CA-NH2 3.3Å; A518-R524 HydrophobicContact CB-CB 4.16Å; A518-R524 HydrophobicContact CB-CG 4.23Å; S522-R524 PolarHBondContact O-N 3.42Å; R524-M528 HydrophobicContact CG-CE 3.67Å; R524-M528 WeakPolarHBondContact O-CG 3.38Å; R524-M528 PolarHBondContact O-N 2.85Å
525E86.1Confident79.5Confident8 Ų879.2 Ų79.24%0.03741%0.407CS..Hα-helixtrans-60.6-46.4173.3175.9-169.5-177.300111.1L477 A518 V520 G521 S522 D527 M528 R529L477-E525 HydrophobicContact CD1-CG 4.18Å; L477-E525 WeakPolarHBondContact CD1-OE1 3.32Å; L477-E525 HydrophobicContact CD2-CB 4.26Å; L477-E525 HydrophobicContact CD2-CG 3.8Å; A518-E525 HydrophobicContact CB-CB 3.96Å; V520-E525 VanDerWaalsContact CA-OE2 3.28Å; V520-E525 WeakPolarHBondContact CA-OE2 3.49Å; G521-E525 PolarHBondContact N-OE2 2.77Å; S522-E525 WeakPolarHBondContact O-CB 3.27Å; S522-E525 PolarHBondContact O-N 3.29Å; S522-E525 VanDerWaalsContact O-N 3.09Å; S522-E525 PolarHBondContact OG-N 2.92Å; E525-D527 VanDerWaalsContact C-N 3.32Å; E525-D527 PolarHBondContact O-N 2.98Å; E525-M528 PolarHBondContact O-N 3.27Å; E525-M528 VanDerWaalsContact O-N 3.17Å; E525-R529 HydrophobicContact CG-CG 4.42Å; E525-R529 PolarHBondContact O-N 2.82Å; E525-R529 IonicContact OE1-CZ 3.68Å; E525-R529 IonicContact OE1-NE 2.68Å; E525-R529 PolarHBondContact OE1-NE 3.06Å; E525-R529 IonicContact OE1-NH2 3.68Å; E525-R529 PolarHBondContact OE1-NH2 3.31Å
526R86.1Confident77.4Confident174 Ų17485.1 Ų85.166%0.65742%0.423SS*.Hα-helixtrans-61.6-41.6-177.6-61.8179.2-162.8-175.43111.6G521 S522 P523 R529 Y530G521-R526 PolarHBondContact O-NE 3.1Å; G521-R526 PolarHBondContact O-NH2 3.15Å; S522-R526 PolarHBondContact O-N 3.2Å; P523-R526 PolarHBondContact O-N 2.89Å; R526-R529 PolarHBondContact O-N 3.09Å; R526-Y530 WeakPolarHBondContact O-CB 3.42Å; R526-Y530 PolarHBondContact O-N 2.94Å
527D86.3Confident75Confident75 Ų7580.9 Ų80.940%0.40141%0.406SS..Hα-helixtrans-64.2-41.5174.7-176.954.5000112.1P523 E525 R529 Y530 K531P523-D527 PolarHBondContact O-N 3.34Å; E525-D527 VanDerWaalsContact C-N 3.32Å; E525-D527 PolarHBondContact O-N 2.98Å; D527-R529 PolarHBondContact O-N 3.47Å; D527-Y530 PolarHBondContact O-N 3.3Å; D527-K531 WeakPolarHBondContact O-CB 3.1Å; D527-K531 WeakPolarHBondContact O-CG 3.45Å; D527-K531 PolarHBondContact O-N 3.1Å; D527-K531 WeakPolarHBondContact OD1-CE 3.33Å; D527-K531 IonicContact OD1-NZ 2.65Å; D527-K531 VanDerWaalsContact OD2-CE 3.26Å; D527-K531 WeakPolarHBondContact OD2-CE 3.04Å; D527-K531 IonicContact OD2-NZ 3.62Å; D527-K531 PolarHBondContact OD2-NZ 3.28Å
528M82.1Confident72.2Confident60 Ų6085.5 Ų85.530%0.29643%0.427SS..Hα-helixtrans-61.7-43.1174.2-73.9-166.6-130.400112.5I475 A518 R524 E525 K531 S532I475-M528 HydrophobicContact CD1-CB 4.14Å; I475-M528 HydrophobicContact CG2-SD 4.24Å; A518-M528 HydrophobicContact CB-CE 3.58Å; R524-M528 HydrophobicContact CG-CE 3.67Å; R524-M528 WeakPolarHBondContact O-CG 3.38Å; R524-M528 PolarHBondContact O-N 2.85Å; E525-M528 PolarHBondContact O-N 3.27Å; E525-M528 VanDerWaalsContact O-N 3.17Å; M528-K531 PolarHBondContact O-N 2.73Å; M528-S532 PolarHBondContact O-N 3.15Å; M528-S532 PolarHBondContact O-OG 3.33Å
529R78.7Confident69.6Low100 Ų10095.2 Ų95.238%0.37746%0.463SS..Hα-helixtrans-62.6-43.9175.9-71.8-178.1-176.9-129.21.8111.9H472 I475 E525 R526 D527 K531 S532 E533H472-R529 PolarHBondContact O-NH2 3.49Å; H472-R529 VanDerWaalsContact O-NH2 3.17Å; I475-R529 HydrophobicContact CD1-CB 4.24Å; I475-R529 HydrophobicContact CD1-CG 3.7Å; E525-R529 HydrophobicContact CG-CG 4.42Å; E525-R529 PolarHBondContact O-N 2.82Å; E525-R529 IonicContact OE1-CZ 3.68Å; E525-R529 IonicContact OE1-NE 2.68Å; E525-R529 PolarHBondContact OE1-NE 3.06Å; E525-R529 IonicContact OE1-NH2 3.68Å; E525-R529 PolarHBondContact OE1-NH2 3.31Å; R526-R529 PolarHBondContact O-N 3.09Å; D527-R529 PolarHBondContact O-N 3.47Å; R529-K531 PolarHBondContact O-N 3.17Å; R529-S532 PolarHBondContact O-N 3.41Å; R529-S532 PolarHBondContact O-OG 3.22Å; R529-E533 WeakPolarHBondContact O-CB 3.38Å; R529-E533 WeakPolarHBondContact O-CG 3.47Å; R529-E533 PolarHBondContact O-N 3.21Å
530Y78.5Confident67.2Low179 Ų17999.7 Ų99.770%0.70248%0.48SS*.Hα-helixtrans-63.2-42177.3-176.8-100.4000112.2R526 D527 E533 S534R526-Y530 WeakPolarHBondContact O-CB 3.42Å; R526-Y530 PolarHBondContact O-N 2.94Å; D527-Y530 PolarHBondContact O-N 3.3Å; Y530-E533 PolarHBondContact O-N 3.08Å; Y530-S534 PolarHBondContact O-N 3.09Å
531K76.1Confident64.7Low120 Ų120102.8 Ų102.852%0.52249%0.493SS..Hα-helixtrans-65.6-37.7176.6-75.2172.1177.7165.30112.4D527 M528 R529 S534D527-K531 WeakPolarHBondContact O-CB 3.1Å; D527-K531 WeakPolarHBondContact O-CG 3.45Å; D527-K531 PolarHBondContact O-N 3.1Å; D527-K531 WeakPolarHBondContact OD1-CE 3.33Å; D527-K531 IonicContact OD1-NZ 2.65Å; D527-K531 VanDerWaalsContact OD2-CE 3.26Å; D527-K531 WeakPolarHBondContact OD2-CE 3.04Å; D527-K531 IonicContact OD2-NZ 3.62Å; D527-K531 PolarHBondContact OD2-NZ 3.28Å; M528-K531 PolarHBondContact O-N 2.73Å; R529-K531 PolarHBondContact O-N 3.17Å; K531-S534 WeakPolarHBondContact O-CB 3.48Å; K531-S534 PolarHBondContact O-N 3.34Å; K531-S534 PolarHBondContact O-OG 2.97Å
532S66.1Low62.6Low45 Ų45107.1 Ų107.132%0.31550%0.501SS..Hα-helixtrans-75-31.9178.573.80000113.4M528 R529 S534 V537M528-S532 PolarHBondContact O-N 3.15Å; M528-S532 PolarHBondContact O-OG 3.33Å; R529-S532 PolarHBondContact O-N 3.41Å; R529-S532 PolarHBondContact O-OG 3.22Å; S532-S534 PolarHBondContact O-N 3.46Å; S532-V537 WeakPolarHBondContact O-CB 3.4Å
533E58.6Low60.1Low134 Ų134110.9 Ų110.963%0.62652%0.523SS*.Hα-helixtrans-75.3-14.8174.9-75.7-177.1-177.400113.3R529 Y530R529-E533 WeakPolarHBondContact O-CB 3.38Å; R529-E533 WeakPolarHBondContact O-CG 3.47Å; R529-E533 PolarHBondContact O-N 3.21Å; Y530-E533 PolarHBondContact O-N 3.08Å
534S51.3Low57.6Low40 Ų40112.1 Ų112.128%0.2852%0.524SS..SBendtrans-54.1133.7176.273.90000110.2Y530 K531 S532 K536 V537Y530-S534 PolarHBondContact O-N 3.09Å; K531-S534 WeakPolarHBondContact O-CB 3.48Å; K531-S534 PolarHBondContact O-N 3.34Å; K531-S534 PolarHBondContact O-OG 2.97Å; S532-S534 PolarHBondContact O-N 3.46Å; S534-K536 PolarHBondContact O-N 2.83Å; S534-V537 PolarHBondContact O-N 3.03Å
535P49.4Very low55Low107 Ų107113.2 Ų113.270%0.69554%0.543SS*.Hα-helixtrans-57.8-18.5-171.410.8-23.1000114.3
536K43.6Very low52.5Low179 Ų179126.5 Ų126.578%0.77860%0.601SS**Hα-helixtrans-67.6-35.7173.7-70.9-174.1176.8-179.10113.1S534S534-K536 PolarHBondContact O-N 2.83Å
537V39.2Very low50.8Low51 Ų51124.1 Ų124.131%0.30960%0.598SS.*Hα-helixtrans-84.7-36.9-176.6178.90000111.9S532 S534 R539 Q540S532-V537 WeakPolarHBondContact O-CB 3.4Å; S534-V537 PolarHBondContact O-N 3.03Å; V537-R539 PolarHBondContact O-N 2.72Å; V537-Q540 PolarHBondContact O-N 3.38Å
538K33.2Very low48.9Very low119 Ų119126.7 Ų126.752%0.51761%0.609SS.*Hα-helixtrans-50.7-44.2173.2-83.9-168.7175.3-179.10111.3Q540 L541 F542K538-Q540 PolarHBondContact O-N 3.25Å; K538-Q540 VanDerWaalsContact O-N 3.1Å; K538-L541 PolarHBondContact O-N 3.3Å; K538-F542 HydrophobicContact CB-CD2 4.05Å; K538-F542 HydrophobicContact CB-CE2 3.92Å; K538-F542 HydrophobicContact CD-CE2 4.1Å; K538-F542 HydrophobicContact CG-CE2 3.95Å; K538-F542 WeakPolarHBondContact O-CD2 3.43Å; K538-F542 PolarHBondContact O-N 3.03Å
539R34.5Very low47.1Very low204 Ų204130.4 Ų130.477%0.7763%0.626SS**Hα-helixtrans-58.7-24.3-179.5-82.1-174.8176.5169.9-0.1115.1V537 T543V537-R539 PolarHBondContact O-N 2.72Å; R539-T543 VanDerWaalsContact O-CG2 3.29Å; R539-T543 WeakPolarHBondContact O-CG2 3.28Å; R539-T543 PolarHBondContact O-OG1 2.92Å
540Q35.4Very low45.2Very low143 Ų143132.2 Ų132.267%0.66864%0.641SS**Hα-helixtrans-86-27.5-178.5-74.2-174.8-21.500113.7V537 K538 T543V537-Q540 PolarHBondContact O-N 3.38Å; K538-Q540 PolarHBondContact O-N 3.25Å; K538-Q540 VanDerWaalsContact O-N 3.1Å; Q540-T543 PolarHBondContact O-OG1 3.15Å; Q540-T543 VanDerWaalsContact O-OG1 3.1Å
541L33.7Very low43.2Very low138 Ų138129.3 Ų129.372%0.72364%0.637SS**Hα-helixtrans-90.9-21.8179.5-72.7168.2000113.2K538 T543K538-L541 PolarHBondContact O-N 3.3Å; L541-T543 PolarHBondContact O-N 3.1Å
542F38.1Very low41Very low132 Ų132129.9 Ų129.958%0.57964%0.644SS**THydrogen-bonded Turntrans-80.91.2173.7-70.9-69.1000113.5K538K538-F542 HydrophobicContact CB-CD2 4.05Å; K538-F542 HydrophobicContact CB-CE2 3.92Å; K538-F542 HydrophobicContact CD-CE2 4.1Å; K538-F542 HydrophobicContact CG-CE2 3.95Å; K538-F542 WeakPolarHBondContact O-CD2 3.43Å; K538-F542 PolarHBondContact O-N 3.03Å
543T32.8Very low39.2Very low99 Ų99135.9 Ų135.961%0.60767%0.668SS**THydrogen-bonded Turntrans-106.27.5-176.447.30000115.6R539 Q540 L541 T545R539-T543 VanDerWaalsContact O-CG2 3.29Å; R539-T543 WeakPolarHBondContact O-CG2 3.28Å; R539-T543 PolarHBondContact O-OG1 2.92Å; Q540-T543 PolarHBondContact O-OG1 3.15Å; Q540-T543 VanDerWaalsContact O-OG1 3.1Å; L541-T543 PolarHBondContact O-N 3.1Å; T543-T545 PolarHBondContact O-N 3.3Å
544D34Very low37.7Very low135 Ų135136.1 Ų136.172%0.72267%0.671SS**  trans-94.467.5174.6-74.6-14.5000111.4
545T32.3Very low36.5Very low135 Ų135144.1 Ų144.183%0.82870%0.704SS**  trans-161.698.8150.632.80000109.5T543T543-T545 PolarHBondContact O-N 3.3Å
546K32.4Very low35.4Very low287 Ų287147.5 Ų147.5100%1.24871%0.705SS**  trans-128.70147.6-94-166.1177.9-176.40108.3

Retrieved 546 of 546 residues in 240.7 ms (Link to these results)

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