A0A087Y581_POEFO Loading...

Glycerophosphodiester phosphodiesterase domain containing 4

AlphaFold DB , UniProt , Accession A0A087Y581, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 520 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
1S51.7Low43.1Very low136 Ų136122.8 Ų122.895%0.95164%0.644SS**  0-54.80-158.30000112.9
2A41.3Very low44.5Very low69 Ų69120 Ų12057%0.5763%0.625SS**Hα-helixtrans-72.2-29.9-179.900000116.1N6A2-N6 PolarHBondContact O-N 3.46Å
3K36.2Very low46Very low178 Ų178114.8 Ų114.877%0.77460%0.596SS**Hα-helixtrans-71.6-37.7-178.3-134.8174.3-176.3-178.30112.2N6 L7K3-N6 PolarHBondContact O-N 3.22Å; K3-L7 PolarHBondContact O-N 3.47Å; K3-L7 VanDerWaalsContact O-N 3.1Å
4T37.2Very low47.7Very low100 Ų100112.4 Ų112.461%0.61359%0.591SS**Hα-helixtrans-69.9-36.5175.5-0.70000112.4L7 S8T4-L7 PolarHBondContact O-N 2.86Å; T4-S8 WeakPolarHBondContact O-CB 3.34Å; T4-S8 PolarHBondContact O-N 3.27Å
5Q39.5Very low49.5Very low136 Ų136112.3 Ų112.364%0.63658%0.584SS**Hα-helixtrans-65.4-35.1172.9-110.5178-4.400113.2K9Q5-K9 WeakPolarHBondContact O-CB 3.25Å; Q5-K9 PolarHBondContact O-N 3.42Å
6N37.6Very low50.9Low98 Ų98105.9 Ų105.952%0.52455%0.552SS.*Hα-helixtrans-76.1-36.1177-84-17.6000112.7A2 K3 K9 Y10A2-N6 PolarHBondContact O-N 3.46Å; K3-N6 PolarHBondContact O-N 3.22Å; N6-K9 PolarHBondContact O-N 2.89Å; N6-Y10 WeakPolarHBondContact O-CD2 3.37Å; N6-Y10 PolarHBondContact O-N 3.42Å
7L38.3Very low52.3Low106 Ų106101.1 Ų101.156%0.55553%0.529SS*.Hα-helixtrans-65-46.4173.5-87.1150.3000111.9K3 T4 K9 Y10 E11K3-L7 PolarHBondContact O-N 3.47Å; K3-L7 VanDerWaalsContact O-N 3.1Å; T4-L7 PolarHBondContact O-N 2.86Å; L7-K9 VanDerWaalsContact C-N 3.31Å; L7-K9 PolarHBondContact O-N 3.2Å; L7-Y10 PolarHBondContact O-N 3.24Å; L7-E11 PolarHBondContact O-N 3.39Å
8S42.8Very low53.7Low74 Ų7498.8 Ų98.852%0.51752%0.522SS..Hα-helixtrans-56.5-41.5172.3159.10000112.4T4 Y10 H12T4-S8 WeakPolarHBondContact O-CB 3.34Å; T4-S8 PolarHBondContact O-N 3.27Å; S8-Y10 VanDerWaalsContact C-N 3.26Å; S8-Y10 PolarHBondContact O-N 3.44Å; S8-H12 WeakPolarHBondContact O-CB 3.18Å; S8-H12 PolarHBondContact O-N 3.47Å; S8-H12 VanDerWaalsContact O-N 3.12Å
9K48.4Very low55Low135 Ų13594.3 Ų94.359%0.58750%0.498SS*.Hα-helixtrans-65.4-23.6174.8-104.6178.2179171.10114.5Q5 N6 L7 Q13Q5-K9 WeakPolarHBondContact O-CB 3.25Å; Q5-K9 PolarHBondContact O-N 3.42Å; N6-K9 PolarHBondContact O-N 2.89Å; L7-K9 VanDerWaalsContact C-N 3.31Å; L7-K9 PolarHBondContact O-N 3.2Å; K9-Q13 WeakPolarHBondContact O-CG 3.25Å; K9-Q13 PolarHBondContact O-NE2 3.39Å; K9-Q13 VanDerWaalsContact O-NE2 3.1Å
10Y49.6Very low56Low172 Ų17289.9 Ų89.968%0.67548%0.476SS*.Hα-helixtrans-87.6-37.8179.7-101.2-90.6000111.8N6 L7 S8 P14N6-Y10 WeakPolarHBondContact O-CD2 3.37Å; N6-Y10 PolarHBondContact O-N 3.42Å; L7-Y10 PolarHBondContact O-N 3.24Å; S8-Y10 VanDerWaalsContact C-N 3.26Å; S8-Y10 PolarHBondContact O-N 3.44Å; Y10-P14 WeakPolarHBondContact O-CD 3.36Å
11E51.8Low57Low147 Ų14785.7 Ų85.769%0.68745%0.454SS*.Hα-helixtrans-73.2-30.3175.6-70.8-178.916100113.1L7 Q13 P14L7-E11 PolarHBondContact O-N 3.39Å; E11-Q13 VanDerWaalsContact C-N 3.31Å; E11-Q13 PolarHBondContact O-N 2.91Å; E11-P14 VanDerWaalsContact O-CD 3.24Å; E11-P14 WeakPolarHBondContact O-CD 3.38Å; E11-P14 VanDerWaalsContact O-CG 3.3Å; E11-P14 WeakPolarHBondContact O-CG 3.42Å
12H59.8Low58.4Low89 Ų8983.1 Ų83.141%0.41243%0.429SS..Hα-helixtrans-73.4-21.2177.7-143.362.9000113.5S8 V16 E119S8-H12 WeakPolarHBondContact O-CB 3.18Å; S8-H12 PolarHBondContact O-N 3.47Å; S8-H12 VanDerWaalsContact O-N 3.12Å; H12-V16 WeakPolarHBondContact O-CG2 3.19Å; H12-V16 PolarHBondContact O-N 2.94Å; H12-E119 IonicContact CD2-OE1 3.35Å; H12-E119 IonicContact CD2-OE2 3.67Å; H12-E119 IonicContact CE1-OE1 3.9Å; H12-E119 VanDerWaalsContact NE2-CD 3.3Å; H12-E119 IonicContact NE2-OE1 3.83Å; H12-E119 PolarHBondContact NE2-OE1 3.47Å; H12-E119 IonicContact NE2-OE2 3.38Å; H12-E119 PolarHBondContact NE2-OE2 2.89Å
13Q63.6Low60.4Low52 Ų5279.9 Ų79.924%0.24340%0.402CS..Hα-helixtrans-72.1-42.3-177.3-85.6-177.350.400116.1K9 E11 F15 S17K9-Q13 WeakPolarHBondContact O-CG 3.25Å; K9-Q13 PolarHBondContact O-NE2 3.39Å; K9-Q13 VanDerWaalsContact O-NE2 3.1Å; E11-Q13 VanDerWaalsContact C-N 3.31Å; E11-Q13 PolarHBondContact O-N 2.91Å; Q13-F15 VanDerWaalsContact C-N 3.31Å; Q13-S17 WeakPolarHBondContact O-CB 3.31Å; Q13-S17 PolarHBondContact O-N 3.03Å; Q13-S17 PolarHBondContact O-OG 2.94Å
14P70.3Confident62.4Low82 Ų8271.6 Ų71.653%0.53237%0.367SS..Hα-helixtrans-62.5-38.1174.219.4-30.2000111.8Y10 E11 S17 C18Y10-P14 WeakPolarHBondContact O-CD 3.36Å; E11-P14 VanDerWaalsContact O-CD 3.24Å; E11-P14 WeakPolarHBondContact O-CD 3.38Å; E11-P14 VanDerWaalsContact O-CG 3.3Å; E11-P14 WeakPolarHBondContact O-CG 3.42Å; P14-S17 PolarHBondContact O-N 2.88Å; P14-C18 WeakPolarHBondContact O-CB 3.29Å; P14-C18 PolarHBondContact O-N 3.39Å
15F73.9Confident64.3Low110 Ų11069.4 Ų69.448%0.48236%0.355SS..Hα-helixtrans-59.3-53.1176179.8-108.6000112.3Q13 S17 C18 L19Q13-F15 VanDerWaalsContact C-N 3.31Å; F15-S17 PolarHBondContact O-N 2.92Å; F15-C18 WeakPolarHBondContact O-CB 3.23Å; F15-C18 PolarHBondContact O-N 3.42Å; F15-C18 VanDerWaalsContact O-N 3.14Å; F15-L19 HydrophobicContact CD1-CD1 4.01Å; F15-L19 HydrophobicContact CE1-CD1 3.52Å; F15-L19 HydrophobicContact CE1-CG 4.38Å; F15-L19 HydrophobicContact CE2-CD1 4.46Å; F15-L19 HydrophobicContact CZ-CD1 3.78Å; F15-L19 HydrophobicContact CZ-CD2 4.45Å; F15-L19 HydrophobicContact CZ-CG 4.32Å; F15-L19 WeakPolarHBondContact O-CG 3.25Å; F15-L19 PolarHBondContact O-N 3.01Å
16V72.3Confident65.9Low11 Ų1164.4 Ų64.47%0.06733%0.332CS..Hα-helixtrans-66-27.3177.7-178.30000112.1H12 A20 R32 E119 Q121H12-V16 WeakPolarHBondContact O-CG2 3.19Å; H12-V16 PolarHBondContact O-N 2.94Å; V16-A20 WeakPolarHBondContact O-CB 3.41Å; V16-A20 PolarHBondContact O-N 3.16Å; V16-A20 VanDerWaalsContact O-N 3.14Å; V16-R32 VanDerWaalsContact C-NH1 3.28Å; V16-R32 PolarHBondContact O-NH1 3.36Å; V16-E119 HydrophobicContact CG2-CG 4.14Å; V16-Q121 HydrophobicContact CG1-CG 3.88Å
17S74.7Confident67.6Low24 Ų2466.6 Ų66.617%0.16833%0.333CS..Hα-helixtrans-72.3-36.6174.9-52.60000111.8Q13 P14 F15 G21 R32Q13-S17 WeakPolarHBondContact O-CB 3.31Å; Q13-S17 PolarHBondContact O-N 3.03Å; Q13-S17 PolarHBondContact O-OG 2.94Å; P14-S17 PolarHBondContact O-N 2.88Å; F15-S17 PolarHBondContact O-N 2.92Å; S17-G21 PolarHBondContact O-N 3.29Å; S17-R32 VanDerWaalsContact CA-NH1 3.28Å; S17-R32 VanDerWaalsContact N-NH1 3.11Å; S17-R32 VanDerWaalsContact OG-CZ 3.28Å; S17-R32 PolarHBondContact OG-NH1 3.1Å; S17-R32 PolarHBondContact OG-NH2 3.23Å
18C78.1Confident68.8Low59 Ų5969 Ų6940%0.39933%0.334SS..Hα-helixtrans-64.9-48.3173.8-176.10000111P14 F15 A20 G21 L22P14-C18 WeakPolarHBondContact O-CB 3.29Å; P14-C18 PolarHBondContact O-N 3.39Å; F15-C18 WeakPolarHBondContact O-CB 3.23Å; F15-C18 PolarHBondContact O-N 3.42Å; F15-C18 VanDerWaalsContact O-N 3.14Å; C18-A20 PolarHBondContact O-N 3.43Å; C18-G21 PolarHBondContact O-N 2.83Å; C18-L22 WeakPolarHBondContact O-CG 3.5Å; C18-L22 PolarHBondContact O-N 3.28Å
19L78.4Confident69.3Low14 Ų1473.1 Ų73.17%0.07334%0.339CS..Hα-helixtrans-59.1-48178.2-66175.7000112.6F15 G21 L22 Y23 L112 C115 L116F15-L19 HydrophobicContact CD1-CD1 4.01Å; F15-L19 HydrophobicContact CE1-CD1 3.52Å; F15-L19 HydrophobicContact CE1-CG 4.38Å; F15-L19 HydrophobicContact CE2-CD1 4.46Å; F15-L19 HydrophobicContact CZ-CD1 3.78Å; F15-L19 HydrophobicContact CZ-CD2 4.45Å; F15-L19 HydrophobicContact CZ-CG 4.32Å; F15-L19 WeakPolarHBondContact O-CG 3.25Å; F15-L19 PolarHBondContact O-N 3.01Å; L19-G21 VanDerWaalsContact C-N 3.34Å; L19-L22 PolarHBondContact O-N 2.95Å; L19-Y23 WeakPolarHBondContact O-CB 3.17Å; L19-Y23 PolarHBondContact O-N 3.38Å; L19-Y23 VanDerWaalsContact O-N 3.08Å; L19-L112 HydrophobicContact CD2-CD2 3.43Å; L19-L112 VanDerWaalsContact CD2-CD2 3.43Å; L19-C115 HydrophobicContact CD1-CB 3.96Å; L19-C115 HydrophobicContact CD2-CB 4.31Å; L19-L116 HydrophobicContact CB-CD2 3.77Å; L19-L116 HydrophobicContact CB-CG 4.18Å
20A75.3Confident69.7Low6 Ų674.6 Ų74.65%0.0534%0.341CS..Hα-helixtrans-71.3-29.9179.300000112.7V16 C18 G24 Q26 R32 L116V16-A20 WeakPolarHBondContact O-CB 3.41Å; V16-A20 PolarHBondContact O-N 3.16Å; V16-A20 VanDerWaalsContact O-N 3.14Å; C18-A20 PolarHBondContact O-N 3.43Å; A20-G24 WeakPolarHBondContact O-CA 3.39Å; A20-G24 PolarHBondContact O-N 3.42Å; A20-Q26 HydrophobicContact CB-CB 4.46Å; A20-Q26 PolarHBondContact O-N 2.97Å; A20-R32 HydrophobicContact CB-CG 4.26Å; A20-L116 HydrophobicContact CB-CD2 4.18Å
21G77.3Confident70Confident1 Ų170.4 Ų70.41%0.0133%0.328CS..Hα-helixtrans-63.3-49.2171.500000112.1S17 C18 L19 C25S17-G21 PolarHBondContact O-N 3.29Å; C18-G21 PolarHBondContact O-N 2.83Å; L19-G21 VanDerWaalsContact C-N 3.34Å; G21-C25 WeakPolarHBondContact O-CA 3.47Å; G21-C25 PolarHBondContact O-N 3.38Å
22L81.1Confident70.4Confident82 Ų8265.2 Ų65.243%0.42930%0.302SS..Hα-helixtrans-70.2-32.3-179.3-69.1172.6000113.6C18 L19 W27 L112 H129C18-L22 WeakPolarHBondContact O-CG 3.5Å; C18-L22 PolarHBondContact O-N 3.28Å; L19-L22 PolarHBondContact O-N 2.95Å; L22-W27 HydrophobicContact CD2-CH2 4.04Å; L22-W27 HydrophobicContact CG-CH2 4.21Å; L22-L112 HydrophobicContact CB-CD1 3.86Å; L22-L112 HydrophobicContact CD1-CD2 4.46Å; L22-H129 PolarHBondContact O-NE2 3.22Å; L22-H129 VanDerWaalsContact O-NE2 3.11Å
23Y82.1Confident70.4Confident2 Ų263.2 Ų63.21%0.00830%0.301CS..Hα-helixtrans-87.5-35.2-178.6-172-97.3000113.6L19 L109 L112 A113 L116 L123 Y124 L125 H126 H129L19-Y23 WeakPolarHBondContact O-CB 3.17Å; L19-Y23 PolarHBondContact O-N 3.38Å; L19-Y23 VanDerWaalsContact O-N 3.08Å; Y23-L109 HydrophobicContact CD2-CD2 4.27Å; Y23-L112 HydrophobicContact CD2-CB 4.08Å; Y23-A113 HydrophobicContact CD2-CB 4.44Å; Y23-A113 HydrophobicContact CE2-CB 3.66Å; Y23-L116 HydrophobicContact CD1-CD1 3.81Å; Y23-L116 HydrophobicContact CD2-CD1 4.47Å; Y23-L116 HydrophobicContact CG-CD1 3.73Å; Y23-L123 HydrophobicContact CE1-CB 4.26Å; Y23-L123 HydrophobicContact CE1-CD2 3.88Å; Y23-Y124 VanDerWaalsContact CD1-O 3.25Å; Y23-Y124 WeakPolarHBondContact CD1-O 3.25Å; Y23-L125 HydrophobicContact CD1-CD1 4.34Å; Y23-L125 HydrophobicContact CD2-CD1 4.09Å; Y23-L125 HydrophobicContact CE1-CB 3.88Å; Y23-L125 HydrophobicContact CE1-CD1 3.9Å; Y23-L125 HydrophobicContact CE2-CD1 3.62Å; Y23-L125 HydrophobicContact CG-CD1 4.42Å; Y23-H126 PolarHBondContact O-N 2.92Å; Y23-H129 PolarHBondContact O-CD2 3.42Å; Y23-H129 VanDerWaalsContact O-CD2 3.26Å
24G78.3Confident70.1Confident3 Ų369.7 Ų69.73%0.03132%0.323CS..Hα-helixtrans-130.92.6-168.300000115.6A20 Q26 Y124A20-G24 WeakPolarHBondContact O-CA 3.39Å; A20-G24 PolarHBondContact O-N 3.42Å; G24-Q26 PolarHBondContact O-N 2.9Å; G24-Y124 WeakPolarHBondContact CA-O 3.39Å
25C76.3Confident69.5Low55 Ų5567 Ų6737%0.37231%0.309SS..SBendtrans58.421.8-168.5-63.40000114G21 W27G21-C25 WeakPolarHBondContact O-CA 3.47Å; G21-C25 PolarHBondContact O-N 3.38Å; C25-W27 PolarHBondContact O-N 3.39Å
26Q75Confident68.4Low31 Ų3168.4 Ų68.415%0.14532%0.316CS..  trans-94.469.3-177.5-64.5-170.6-12.400111.9A20 G24 R28 Q31 R32 Y124A20-Q26 HydrophobicContact CB-CB 4.46Å; A20-Q26 PolarHBondContact O-N 2.97Å; G24-Q26 PolarHBondContact O-N 2.9Å; Q26-R28 VanDerWaalsContact C-N 3.29Å; Q26-R28 PolarHBondContact O-N 2.89Å; Q26-Q31 HydrophobicContact CB-CB 4.1Å; Q26-Q31 HydrophobicContact CG-CB 4.1Å; Q26-Q31 PolarHBondContact NE2-O 3.24Å; Q26-Q31 PolarHBondContact OE1-O 2.89Å; Q26-R32 HydrophobicContact CB-CG 4.49Å; Q26-Y124 HydrophobicContact CG-CD1 4.17Å; Q26-Y124 VanDerWaalsContact NE2-CD1 3.29Å
27W71.4Confident67.2Low143 Ų14372.3 Ų72.354%0.54234%0.342SS..  trans-71.2-22.8-178.1-58.598.2000113.5L22 C25L22-W27 HydrophobicContact CD2-CH2 4.04Å; L22-W27 HydrophobicContact CG-CH2 4.21Å; C25-W27 PolarHBondContact O-N 3.39Å
28R63.9Low66Low157 Ų15772.9 Ų72.959%0.59235%0.351SS*.SBendtrans-102.3140-174.5-65.2-178.4177.1-170.50.2112.2Q26 Y30 Q31Q26-R28 VanDerWaalsContact C-N 3.29Å; Q26-R28 PolarHBondContact O-N 2.89Å; R28-Y30 VanDerWaalsContact C-N 3.31Å; R28-Y30 HydrophobicContact CB-CD1 4.02Å; R28-Y30 HydrophobicContact CB-CE1 3.54Å; R28-Y30 WeakPolarHBondContact CD-OH 3.45Å; R28-Y30 HydrophobicContact CG-CE1 4.17Å; R28-Y30 PolarHBondContact NH1-OH 2.74Å; R28-Y30 PolarHBondContact O-N 3.12Å; R28-Q31 WeakPolarHBondContact O-CB 3.43Å; R28-Q31 PolarHBondContact O-N 3.22Å; R28-Q31 VanDerWaalsContact O-N 3.09Å
29R54.8Low65Low161 Ų16174.7 Ų74.761%0.60835%0.354SS*.G310 helixtrans-57.2-35-171.6-175.1172.3174-172.8-7.4115.1Q31 R32R29-Q31 VanDerWaalsContact C-N 3.28Å; R29-Q31 PolarHBondContact O-N 3.27Å; R29-R32 PolarHBondContact O-N 3.46Å
30Y54.9Low63.9Low165 Ų16577.2 Ų77.265%0.64737%0.372SS*.G310 helixtrans-74.8-14-178.460.3-97.1000114.1R28 R32R28-Y30 VanDerWaalsContact C-N 3.31Å; R28-Y30 HydrophobicContact CB-CD1 4.02Å; R28-Y30 HydrophobicContact CB-CE1 3.54Å; R28-Y30 WeakPolarHBondContact CD-OH 3.45Å; R28-Y30 HydrophobicContact CG-CE1 4.17Å; R28-Y30 PolarHBondContact NH1-OH 2.74Å; R28-Y30 PolarHBondContact O-N 3.12Å; Y30-R32 VanDerWaalsContact C-N 3.29Å
31Q56.7Low63.2Low84 Ų8478.5 Ų78.539%0.39338%0.38SS..G310 helixtrans-81.4-12.7178.3-63.7174.6-45.100112.2Q26 R28 R29Q26-Q31 HydrophobicContact CB-CB 4.1Å; Q26-Q31 HydrophobicContact CG-CB 4.1Å; Q26-Q31 PolarHBondContact NE2-O 3.24Å; Q26-Q31 PolarHBondContact OE1-O 2.89Å; R28-Q31 WeakPolarHBondContact O-CB 3.43Å; R28-Q31 PolarHBondContact O-N 3.22Å; R28-Q31 VanDerWaalsContact O-N 3.09Å; R29-Q31 VanDerWaalsContact C-N 3.28Å; R29-Q31 PolarHBondContact O-N 3.27Å
32R59.9Low62.4Low39 Ų3979.4 Ų79.415%0.14739%0.386CS..  trans-94.5130.2-174.6-64.1-178.6-70.1-168.1-13.9111.7V16 S17 A20 Q26 R29 Y30V16-R32 VanDerWaalsContact C-NH1 3.28Å; V16-R32 PolarHBondContact O-NH1 3.36Å; S17-R32 VanDerWaalsContact CA-NH1 3.28Å; S17-R32 VanDerWaalsContact N-NH1 3.11Å; S17-R32 VanDerWaalsContact OG-CZ 3.28Å; S17-R32 PolarHBondContact OG-NH1 3.1Å; S17-R32 PolarHBondContact OG-NH2 3.23Å; A20-R32 HydrophobicContact CB-CG 4.26Å; Q26-R32 HydrophobicContact CB-CG 4.49Å; R29-R32 PolarHBondContact O-N 3.46Å; Y30-R32 VanDerWaalsContact C-N 3.29Å
33A59.4Low62Low47 Ų4778.7 Ų78.739%0.38839%0.388SS..  trans-104.4119.617000000109.9R122A33-R122 HydrophobicContact CB-CG 4.45Å; A33-R122 WeakPolarHBondContact O-CB 3.27Å; A33-R122 PolarHBondContact O-N 3.35Å; A33-R122 VanDerWaalsContact O-N 3.08Å
34R58.3Low61.7Low187 Ų18788.1 Ų88.171%0.70643%0.429SS*.BIsolated β-bridgetrans-69.7135.8165.8-91.6-178.6174.1169.3-1.3109.1Q36R34-Q36 PolarHBondContact O-N 3.37Å
35A56.6Low61.7Low27 Ų2792.5 Ų92.522%0.22346%0.455CS..PPolyproline II helixtrans-68126.8169.600000108.6G120 R122A35-G120 PolarHBondContact N-O 3.29Å; A35-R122 HydrophobicContact CB-CG 4.05Å
36Q52.6Low62Low139 Ų13990.4 Ų90.465%0.6544%0.44SS*.PPolyproline II helixtrans-77.4147.4170.4-68.8-139.96.100110.1R34 G38 E39R34-Q36 PolarHBondContact O-N 3.37Å; Q36-G38 PolarHBondContact O-N 3.45Å; Q36-E39 PolarHBondContact O-N 2.84Å
37P47.2Very low62.2Low93 Ų9391 Ų9160%0.60445%0.447SS*.THydrogen-bonded Turntrans-55.2114.4179-22.932.5000111.7N193P37-N193 PolarHBondContact O-ND2 2.99Å
38G48.5Very low62.7Low35 Ų3586.4 Ų86.436%0.36144%0.444SS..THydrogen-bonded Turntrans106.4-11.9177.600000116.6Q36Q36-G38 PolarHBondContact O-N 3.45Å
39E56.8Low63.7Low98 Ų9879.7 Ų79.746%0.45842%0.421SS..SBendtrans-84.1158171.4-70-174.4138.500112.2Q36 R122Q36-E39 PolarHBondContact O-N 2.84Å; E39-R122 IonicContact OE1-NH2 2.82Å; E39-R122 IonicContact OE2-CZ 3.38Å; E39-R122 IonicContact OE2-NH2 3.57Å; E39-R122 PolarHBondContact OE2-NH2 3.43Å
40C55.3Low65.3Low67 Ų6773.9 Ų73.945%0.45340%0.4SS..  trans-64.3137.6174.6-159.80000110.1C42C40-C42 PolarHBondContact O-N 3.41Å; C40-C42 VanDerWaalsContact O-N 3.11Å; C40-C42 PolarHBondContact SG-O 3.34Å
41C60.7Low66.8Low32 Ų3267.8 Ų67.822%0.21639%0.388CS..SBendtrans-68.1-10.1-176.6-66.60000113.9L117 R122 L123 H188C41-L117 HydrophobicContact CB-CD2 3.93Å; C41-R122 WeakPolarHBondContact O-CA 3.48Å; C41-L123 PolarHBondContact O-N 3.08Å; C41-H188 VanDerWaalsContact SG-CE1 3.56Å
42C61.8Low68.5Low20 Ų2066.2 Ų66.214%0.13538%0.382CS..SBendtrans-150.8156-17738.40000110.3C40 E46 C47C40-C42 PolarHBondContact O-N 3.41Å; C40-C42 VanDerWaalsContact O-N 3.11Å; C40-C42 PolarHBondContact SG-O 3.34Å; C42-E46 HydrophobicContact CB-CB 3.73Å; C42-C47 HydrophobicContact CB-CB 4.15Å; C42-C47 WeakPolarHBondContact CB-SG 3.34Å; C42-C47 PolarHBondContact O-SG 3.48Å; C42-C47 WeakPolarHBondContact SG-CA 3.5Å; C42-C47 WeakPolarHBondContact SG-CB 3.39Å; C42-C47 CovalentContact SG-SG 2.05Å; C42-C47 PolarHBondContact SG-SG 3.49Å
43S71.1Confident70Confident68 Ų6864.4 Ų64.448%0.47638%0.375SS..  trans-67.8163.4164.878.80000109.6V45 E46 C47S43-V45 PolarHBondContact O-N 3.47Å; S43-V45 VanDerWaalsContact O-N 3.16Å; S43-E46 PolarHBondContact O-N 2.85Å; S43-E46 WeakPolarHBondContact OG-CG 3.49Å; S43-E46 PolarHBondContact OG-N 3.4Å; S43-C47 PolarHBondContact O-N 3.48Å; S43-C47 PolarHBondContact O-SG 2.91Å
44K76.3Confident71.6Confident199 Ų19964.8 Ų64.887%0.86537%0.37SS*.Hα-helixtrans-53.3-39.1179.1-71.1-173.1179-179.20112.8G48K44-G48 PolarHBondContact O-N 3.07Å
45V78.4Confident73.3Confident95 Ų9560.3 Ų60.358%0.57636%0.36SS*.Hα-helixtrans-68.9-42.3178.7178.70000111.5S43 G48 S49S43-V45 PolarHBondContact O-N 3.47Å; S43-V45 VanDerWaalsContact O-N 3.16Å; V45-G48 PolarHBondContact O-N 3.18Å; V45-S49 WeakPolarHBondContact O-CB 3.11Å; V45-S49 PolarHBondContact O-N 3.4Å; V45-S49 PolarHBondContact O-OG 3.35Å
46E81.9Confident75.1Confident11 Ų1159 Ų595%0.05135%0.349CS..Hα-helixtrans-71.3-36.6179.3-65.1-54.6132.500111.7C42 S43 S49 F50 L125 K130C42-E46 HydrophobicContact CB-CB 3.73Å; S43-E46 PolarHBondContact O-N 2.85Å; S43-E46 WeakPolarHBondContact OG-CG 3.49Å; S43-E46 PolarHBondContact OG-N 3.4Å; E46-S49 PolarHBondContact O-N 2.96Å; E46-F50 WeakPolarHBondContact O-CB 3.39Å; E46-F50 PolarHBondContact O-N 3.43Å; E46-L125 WeakPolarHBondContact OE2-CB 3.29Å; E46-L125 PolarHBondContact OE2-N 2.98Å; E46-K130 IonicContact OE1-NZ 3.37Å; E46-K130 PolarHBondContact OE1-NZ 3.05Å
47C79.1Confident77.1Confident43 Ų4354.3 Ų54.329%0.29133%0.326SS..Hα-helixtrans-65.9-39.3172.9-59.60000111.4C42 S43 F50 G51C42-C47 HydrophobicContact CB-CB 4.15Å; C42-C47 WeakPolarHBondContact CB-SG 3.34Å; C42-C47 PolarHBondContact O-SG 3.48Å; C42-C47 WeakPolarHBondContact SG-CA 3.5Å; C42-C47 WeakPolarHBondContact SG-CB 3.39Å; C42-C47 CovalentContact SG-SG 2.05Å; C42-C47 PolarHBondContact SG-SG 3.49Å; S43-C47 PolarHBondContact O-N 3.48Å; S43-C47 PolarHBondContact O-SG 2.91Å; C47-F50 PolarHBondContact O-N 2.93Å; C47-G51 PolarHBondContact O-N 2.97Å
48G82.8Confident79.2Confident47 Ų4755.3 Ų55.349%0.48532%0.321SS..Hα-helixtrans-63.6-41.2172.400000112.7K44 V45 F50 G51 L52K44-G48 PolarHBondContact O-N 3.07Å; V45-G48 PolarHBondContact O-N 3.18Å; G48-F50 PolarHBondContact O-N 2.81Å; G48-G51 PolarHBondContact O-N 2.92Å; G48-L52 WeakPolarHBondContact O-CB 3.36Å; G48-L52 PolarHBondContact O-N 3.46Å
49S85.4Confident81.4Confident16 Ų1656.9 Ų56.911%0.11232%0.321CS..Hα-helixtrans-65.8-37.2177.3-55.80000112.2V45 E46 L52 L53 K130V45-S49 WeakPolarHBondContact O-CB 3.11Å; V45-S49 PolarHBondContact O-N 3.4Å; V45-S49 PolarHBondContact O-OG 3.35Å; E46-S49 PolarHBondContact O-N 2.96Å; S49-L52 PolarHBondContact O-N 3.02Å; S49-L53 WeakPolarHBondContact O-CB 3.23Å; S49-L53 PolarHBondContact O-N 3.46Å; S49-K130 WeakPolarHBondContact OG-CE 3.34Å
50F87.3Confident83.2Confident39 Ų3952.4 Ų52.417%0.17130%0.301CS..Hα-helixtrans-68.8-41174-178.3-110.3000112.2E46 C47 G48 L52 L53 I54 L110 A113 L117 L123E46-F50 WeakPolarHBondContact O-CB 3.39Å; E46-F50 PolarHBondContact O-N 3.43Å; C47-F50 PolarHBondContact O-N 2.93Å; G48-F50 PolarHBondContact O-N 2.81Å; F50-L52 VanDerWaalsContact C-N 3.31Å; F50-L52 PolarHBondContact O-N 2.68Å; F50-L53 HydrophobicContact CD2-CD2 4.4Å; F50-L53 WeakPolarHBondContact O-CB 3.44Å; F50-L53 PolarHBondContact O-N 3.12Å; F50-I54 HydrophobicContact CD1-CD1 3.91Å; F50-I54 HydrophobicContact CE1-CD1 3.46Å; F50-I54 VanDerWaalsContact CE1-CD1 3.46Å; F50-I54 HydrophobicContact CE1-CG1 4.38Å; F50-I54 HydrophobicContact CE2-CD1 4.45Å; F50-I54 HydrophobicContact CZ-CD1 3.76Å; F50-I54 HydrophobicContact CZ-CG1 4.3Å; F50-I54 WeakPolarHBondContact O-CG1 3.31Å; F50-I54 PolarHBondContact O-N 2.67Å; F50-L110 HydrophobicContact CE2-CD1 4.04Å; F50-L110 HydrophobicContact CZ-CD1 4.47Å; F50-A113 HydrophobicContact CD2-CB 3.97Å; F50-A113 HydrophobicContact CE2-CB 3.62Å; F50-L117 HydrophobicContact CE1-CD1 4.43Å; F50-L117 HydrophobicContact CE2-CD1 4.45Å; F50-L117 HydrophobicContact CZ-CD1 4.03Å; F50-L123 HydrophobicContact CB-CD1 4.35Å; F50-L123 HydrophobicContact CD2-CD1 3.91Å; F50-L123 HydrophobicContact CE2-CD1 4.39Å; F50-L123 HydrophobicContact CG-CD1 4.05Å
51G87.2Confident84.9Confident37 Ų3753.1 Ų53.138%0.38130%0.296SS..Hα-helixtrans-60.2-41.9172.300000112.3C47 G48 I54 L55C47-G51 PolarHBondContact O-N 2.97Å; G48-G51 PolarHBondContact O-N 2.92Å; G51-I54 PolarHBondContact O-N 3.25Å; G51-L55 PolarHBondContact O-N 3.48Å
52L91.5Very high86.3Confident52 Ų5255 Ų5527%0.27231%0.306SS..Hα-helixtrans-62.5-42.8173.9-171.269.8000111.9G48 S49 F50 I54 L55 T56 I133 M134 L137G48-L52 WeakPolarHBondContact O-CB 3.36Å; G48-L52 PolarHBondContact O-N 3.46Å; S49-L52 PolarHBondContact O-N 3.02Å; F50-L52 VanDerWaalsContact C-N 3.31Å; F50-L52 PolarHBondContact O-N 2.68Å; L52-I54 VanDerWaalsContact C-N 3.33Å; L52-I54 PolarHBondContact O-N 3.28Å; L52-L55 PolarHBondContact O-N 3.22Å; L52-T56 WeakPolarHBondContact O-CB 3.39Å; L52-T56 PolarHBondContact O-N 2.58Å; L52-T56 PolarHBondContact O-OG1 3.42Å; L52-I133 HydrophobicContact CD2-CG2 3.9Å; L52-I133 HydrophobicContact CG-CG2 3.89Å; L52-M134 HydrophobicContact CD2-SD 3.64Å; L52-L137 HydrophobicContact CD1-CD2 3.66Å
53L92.8Very high87.7Confident0 Ų054.2 Ų54.20%030%0.301CS..Hα-helixtrans-57.7-44.7175.9179.265000111.8S49 F50 T56 F57 I106 L109 L110 A113 I133S49-L53 WeakPolarHBondContact O-CB 3.23Å; S49-L53 PolarHBondContact O-N 3.46Å; F50-L53 HydrophobicContact CD2-CD2 4.4Å; F50-L53 WeakPolarHBondContact O-CB 3.44Å; F50-L53 PolarHBondContact O-N 3.12Å; L53-T56 PolarHBondContact O-N 2.99Å; L53-F57 WeakPolarHBondContact O-CB 3.35Å; L53-F57 PolarHBondContact O-N 3.28Å; L53-I106 HydrophobicContact CD1-CD1 4.25Å; L53-I106 HydrophobicContact CD1-CG2 3.91Å; L53-L109 HydrophobicContact CD1-CB 4.01Å; L53-L109 HydrophobicContact CD2-CB 4.28Å; L53-L110 HydrophobicContact CD2-CB 4.32Å; L53-L110 HydrophobicContact CD2-CD1 4.23Å; L53-L110 HydrophobicContact CG-CB 4.46Å; L53-L110 HydrophobicContact CG-CD1 4.34Å; L53-A113 HydrophobicContact CD2-CB 4.5Å; L53-I133 HydrophobicContact CB-CD1 4.06Å; L53-I133 HydrophobicContact CD1-CD1 3.75Å; L53-I133 HydrophobicContact CD1-CG1 3.87Å; L53-I133 HydrophobicContact CG-CD1 4.42Å
54I91.8Very high88.8Confident56 Ų5652.2 Ų52.229%0.28729%0.285SS..Hα-helixtrans-63-47.5176.8-68.7168.3000110.8F50 G51 L52 T56 F57 F58 L110F50-I54 HydrophobicContact CD1-CD1 3.91Å; F50-I54 HydrophobicContact CE1-CD1 3.46Å; F50-I54 VanDerWaalsContact CE1-CD1 3.46Å; F50-I54 HydrophobicContact CE1-CG1 4.38Å; F50-I54 HydrophobicContact CE2-CD1 4.45Å; F50-I54 HydrophobicContact CZ-CD1 3.76Å; F50-I54 HydrophobicContact CZ-CG1 4.3Å; F50-I54 WeakPolarHBondContact O-CG1 3.31Å; F50-I54 PolarHBondContact O-N 2.67Å; G51-I54 PolarHBondContact O-N 3.25Å; L52-I54 VanDerWaalsContact C-N 3.33Å; L52-I54 PolarHBondContact O-N 3.28Å; I54-T56 PolarHBondContact O-N 2.97Å; I54-F57 WeakPolarHBondContact O-CB 3.12Å; I54-F57 PolarHBondContact O-N 3.31Å; I54-F58 HydrophobicContact CG2-CD2 3.73Å; I54-F58 HydrophobicContact CG2-CE2 3.46Å; I54-F58 VanDerWaalsContact CG2-CE2 3.46Å; I54-F58 WeakPolarHBondContact O-CD2 3.41Å; I54-F58 PolarHBondContact O-N 3Å; I54-F58 VanDerWaalsContact O-N 3.09Å; I54-L110 HydrophobicContact CG1-CD1 3.83Å
55L93.7Very high89.4Confident93 Ų9344.2 Ų44.249%0.48725%0.249SC..Hα-helixtrans-59.3-47.6178.2178.364.1000111.2G51 L52 F57 F58 L59G51-L55 PolarHBondContact O-N 3.48Å; L52-L55 PolarHBondContact O-N 3.22Å; L55-F57 VanDerWaalsContact C-N 3.31Å; L55-F57 PolarHBondContact O-N 3.38Å; L55-F58 PolarHBondContact O-N 3.26Å; L55-L59 HydrophobicContact CD1-CD1 4.11Å; L55-L59 HydrophobicContact CD1-CG 4.37Å; L55-L59 HydrophobicContact CG-CD1 4.03Å; L55-L59 WeakPolarHBondContact O-CG 3.28Å; L55-L59 PolarHBondContact O-N 3.27Å
56T94.6Very high89.9Confident0 Ų040 Ų400%022%0.223CC..Hα-helixtrans-62.1-38.6177.5-58.10000111.5L52 L53 I54 S60 I106 I133 A136 L137L52-T56 WeakPolarHBondContact O-CB 3.39Å; L52-T56 PolarHBondContact O-N 2.58Å; L52-T56 PolarHBondContact O-OG1 3.42Å; L53-T56 PolarHBondContact O-N 2.99Å; I54-T56 PolarHBondContact O-N 2.97Å; T56-S60 WeakPolarHBondContact O-CB 3.18Å; T56-S60 PolarHBondContact O-N 3.03Å; T56-S60 PolarHBondContact O-OG 3.26Å; T56-I106 HydrophobicContact CG2-CD1 4.04Å; T56-I106 HydrophobicContact CG2-CG1 4.16Å; T56-I106 HydrophobicContact CG2-CG2 4.4Å; T56-I133 HydrophobicContact CG2-CG2 4.36Å; T56-A136 HydrophobicContact CG2-CB 3.9Å; T56-L137 HydrophobicContact CG2-CB 4.07Å
57F95.2Very high90.3Very high40 Ų4040 Ų4018%0.17522%0.223CC..Hα-helixtrans-58.5-50.7175.3174.3-92.8000111.4L53 I54 L55 S60 F61 F103 I106 A107 L110L53-F57 WeakPolarHBondContact O-CB 3.35Å; L53-F57 PolarHBondContact O-N 3.28Å; I54-F57 WeakPolarHBondContact O-CB 3.12Å; I54-F57 PolarHBondContact O-N 3.31Å; L55-F57 VanDerWaalsContact C-N 3.31Å; L55-F57 PolarHBondContact O-N 3.38Å; F57-S60 PolarHBondContact O-N 3.45Å; F57-F61 VanDerWaalsContact O-CB 3.23Å; F57-F61 WeakPolarHBondContact O-CB 3.49Å; F57-F61 PolarHBondContact O-N 3.02Å; F57-F103 AromaticContact CD2-CE2 3.86Å; F57-F103 HydrophobicContact CD2-CE2 3.86Å; F57-F103 AromaticContact CE2-CE2 3.52Å; F57-F103 HydrophobicContact CE2-CE2 3.52Å; F57-F103 AromaticContact CE2-CZ 3.75Å; F57-F103 HydrophobicContact CE2-CZ 3.75Å; F57-F103 HydrophobicContact CZ-CE2 4.03Å; F57-F103 HydrophobicContact CZ-CZ 4.12Å; F57-I106 HydrophobicContact CB-CG2 3.83Å; F57-I106 HydrophobicContact CD2-CG2 4.35Å; F57-A107 HydrophobicContact CD2-CB 4.19Å; F57-A107 HydrophobicContact CE2-CB 3.8Å; F57-L110 HydrophobicContact CB-CD2 4.19Å; F57-L110 HydrophobicContact CD1-CD2 4.01Å; F57-L110 HydrophobicContact CD2-CD2 3.85Å; F57-L110 HydrophobicContact CE1-CD2 4.37Å; F57-L110 HydrophobicContact CE2-CD2 4.21Å; F57-L110 HydrophobicContact CG-CD2 3.73Å; F57-L110 HydrophobicContact CZ-CD2 4.46Å
58F92.1Very high90.8Very high113 Ų11339.5 Ų39.550%0.49622%0.22SC..Hα-helixtrans-64.9-44179.9-74.6-64.8000112.6I54 L55 F61 V62I54-F58 HydrophobicContact CG2-CD2 3.73Å; I54-F58 HydrophobicContact CG2-CE2 3.46Å; I54-F58 VanDerWaalsContact CG2-CE2 3.46Å; I54-F58 WeakPolarHBondContact O-CD2 3.41Å; I54-F58 PolarHBondContact O-N 3Å; I54-F58 VanDerWaalsContact O-N 3.09Å; L55-F58 PolarHBondContact O-N 3.26Å; F58-F61 PolarHBondContact O-N 2.66Å; F58-V62 VanDerWaalsContact O-CG2 3.29Å; F58-V62 WeakPolarHBondContact O-CG2 3.39Å; F58-V62 PolarHBondContact O-N 3.43Å
59L93.1Very high91Very high68 Ų6838.9 Ų38.936%0.35620%0.204SC..Hα-helixtrans-64.1-43.1177.7-71.7172.6000112.1L55 F61 V62 F63 L137 V141L55-L59 HydrophobicContact CD1-CD1 4.11Å; L55-L59 HydrophobicContact CD1-CG 4.37Å; L55-L59 HydrophobicContact CG-CD1 4.03Å; L55-L59 WeakPolarHBondContact O-CG 3.28Å; L55-L59 PolarHBondContact O-N 3.27Å; L59-F61 VanDerWaalsContact C-N 3.34Å; L59-V62 PolarHBondContact O-N 3.14Å; L59-F63 WeakPolarHBondContact O-CB 3.32Å; L59-F63 PolarHBondContact O-N 3.32Å; L59-L137 HydrophobicContact CD1-CD1 3.56Å; L59-V141 HydrophobicContact CD1-CG2 4.28Å
60S94.9Very high91.1Very high4 Ų438.4 Ų38.43%0.02820%0.201CC..Hα-helixtrans-67.4-37177.9-52.20000111.3T56 F57 L64 S140T56-S60 WeakPolarHBondContact O-CB 3.18Å; T56-S60 PolarHBondContact O-N 3.03Å; T56-S60 PolarHBondContact O-OG 3.26Å; F57-S60 PolarHBondContact O-N 3.45Å; S60-L64 VanDerWaalsContact O-CB 3.25Å; S60-L64 WeakPolarHBondContact O-CB 3.46Å; S60-L64 PolarHBondContact O-N 3.37Å; S60-S140 PolarHBondContact OG-OG 2.77Å
61F92.1Very high91.2Very high82 Ų8240.5 Ų40.536%0.3621%0.212SC..Hα-helixtrans-62.3-50174.5176-104.8000111.3F57 F58 L59 F63 L64 Y65 F103F57-F61 VanDerWaalsContact O-CB 3.23Å; F57-F61 WeakPolarHBondContact O-CB 3.49Å; F57-F61 PolarHBondContact O-N 3.02Å; F58-F61 PolarHBondContact O-N 2.66Å; L59-F61 VanDerWaalsContact C-N 3.34Å; F61-F63 VanDerWaalsContact C-N 3.32Å; F61-F63 PolarHBondContact O-N 2.93Å; F61-L64 PolarHBondContact O-N 3.35Å; F61-Y65 VanDerWaalsContact O-CB 3.25Å; F61-Y65 WeakPolarHBondContact O-CB 3.22Å; F61-Y65 PolarHBondContact O-N 3.11Å; F61-F103 HydrophobicContact CB-CD2 4.29Å; F61-F103 HydrophobicContact CB-CE2 3.72Å; F61-F103 HydrophobicContact CB-CZ 4.44Å; F61-F103 HydrophobicContact CD2-CE2 4.01Å; F61-F103 AromaticContact CD2-CZ 3.88Å; F61-F103 HydrophobicContact CD2-CZ 3.88Å; F61-F103 HydrophobicContact CG-CE2 4.36Å
62V89.3Confident91.4Very high71 Ų7139.4 Ų39.443%0.4320%0.197SC..Hα-helixtrans-59.6-45.3178.2170.20000110.6F58 L59 F66F58-V62 VanDerWaalsContact O-CG2 3.29Å; F58-V62 WeakPolarHBondContact O-CG2 3.39Å; F58-V62 PolarHBondContact O-N 3.43Å; L59-V62 PolarHBondContact O-N 3.14Å; V62-F66 VanDerWaalsContact O-CB 3.31Å; V62-F66 WeakPolarHBondContact O-CB 3.37Å; V62-F66 PolarHBondContact O-N 3.14Å
63F91.9Very high91.2Very high4 Ų437.4 Ų37.42%0.01819%0.187CC..Hα-helixtrans-63.8-48.1177.9178.5-99.6000112.4L59 F61 Y65 F66 W67 L95 A99 F139 A143 T144 L147L59-F63 WeakPolarHBondContact O-CB 3.32Å; L59-F63 PolarHBondContact O-N 3.32Å; F61-F63 VanDerWaalsContact C-N 3.32Å; F61-F63 PolarHBondContact O-N 2.93Å; F63-Y65 VanDerWaalsContact C-N 3.32Å; F63-Y65 PolarHBondContact O-N 3.16Å; F63-F66 PolarHBondContact O-N 3.21Å; F63-W67 WeakPolarHBondContact O-CB 3.37Å; F63-W67 PolarHBondContact O-N 2.98Å; F63-L95 HydrophobicContact CZ-CD1 4.29Å; F63-L95 HydrophobicContact CZ-CD2 4.38Å; F63-L95 HydrophobicContact CZ-CG 4.36Å; F63-A99 HydrophobicContact CD1-CB 4Å; F63-A99 HydrophobicContact CE1-CB 3.74Å; F63-F139 HydrophobicContact CD1-CE1 4.22Å; F63-F139 AromaticContact CE1-CE1 3.73Å; F63-F139 HydrophobicContact CE1-CE1 3.73Å; F63-F139 HydrophobicContact CE1-CZ 4.15Å; F63-F139 HydrophobicContact CZ-CE1 4.46Å; F63-A143 HydrophobicContact CD2-CB 4.31Å; F63-A143 HydrophobicContact CE1-CB 4.31Å; F63-A143 HydrophobicContact CE2-CB 3.48Å; F63-A143 VanDerWaalsContact CE2-CB 3.48Å; F63-A143 HydrophobicContact CZ-CB 3.49Å; F63-A143 VanDerWaalsContact CZ-CB 3.49Å; F63-T144 WeakPolarHBondContact CD2-OG1 3.4Å; F63-L147 HydrophobicContact CE2-CD1 3.71Å; F63-L147 HydrophobicContact CZ-CD1 4.24Å
64L93.1Very high91.1Very high26 Ų2638.4 Ų38.414%0.13619%0.191CC..Hα-helixtrans-61.4-43.5179.3177.762.5000111.1S60 F61 W67 S68 L96 A99 A100 F103S60-L64 VanDerWaalsContact O-CB 3.25Å; S60-L64 WeakPolarHBondContact O-CB 3.46Å; S60-L64 PolarHBondContact O-N 3.37Å; F61-L64 PolarHBondContact O-N 3.35Å; L64-W67 PolarHBondContact O-N 3.49Å; L64-S68 VanDerWaalsContact O-CB 3.28Å; L64-S68 WeakPolarHBondContact O-CB 3.42Å; L64-S68 PolarHBondContact O-N 2.94Å; L64-S68 PolarHBondContact O-OG 3.44Å; L64-L96 HydrophobicContact CD1-CD1 3.96Å; L64-A99 HydrophobicContact CD1-CB 3.97Å; L64-A100 HydrophobicContact CD1-CB 4.11Å; L64-F103 HydrophobicContact CD2-CB 3.79Å; L64-F103 HydrophobicContact CD2-CD1 3.49Å; L64-F103 VanDerWaalsContact CD2-CD1 3.49Å; L64-F103 HydrophobicContact CD2-CE1 4.27Å; L64-F103 HydrophobicContact CD2-CG 3.72Å
65Y89.8Confident91Very high31 Ų3136.8 Ų36.812%0.12218%0.183CC..Hα-helixtrans-62.3-49.5176.6176.9-99.1000110.8F61 F63 W67 S68 E69 L158 S161 L162 T166 L170F61-Y65 VanDerWaalsContact O-CB 3.25Å; F61-Y65 WeakPolarHBondContact O-CB 3.22Å; F61-Y65 PolarHBondContact O-N 3.11Å; F63-Y65 VanDerWaalsContact C-N 3.32Å; F63-Y65 PolarHBondContact O-N 3.16Å; Y65-W67 PolarHBondContact O-N 2.99Å; Y65-S68 PolarHBondContact O-N 3.24Å; Y65-E69 HydrophobicContact CD1-CG 4.49Å; Y65-E69 HydrophobicContact CD2-CG 4.34Å; Y65-E69 HydrophobicContact CE1-CG 3.98Å; Y65-E69 HydrophobicContact CE2-CG 3.81Å; Y65-E69 WeakPolarHBondContact CE2-OE1 3.46Å; Y65-E69 WeakPolarHBondContact O-CG 3.27Å; Y65-E69 PolarHBondContact O-N 3.32Å; Y65-L158 HydrophobicContact CD1-CD1 3.63Å; Y65-L158 HydrophobicContact CE1-CD1 3.51Å; Y65-S161 PolarHBondContact OH-OG 3.2Å; Y65-L162 HydrophobicContact CD1-CD2 4.01Å; Y65-L162 HydrophobicContact CD1-CG 4.49Å; Y65-L162 HydrophobicContact CE1-CD1 4.42Å; Y65-L162 HydrophobicContact CE1-CD2 3.23Å; Y65-L162 HydrophobicContact CE1-CG 3.59Å; Y65-T166 HydrophobicContact CE2-CG2 4.45Å; Y65-T166 WeakPolarHBondContact OH-CG2 3.46Å; Y65-T166 PolarHBondContact OH-OG1 2.95Å; Y65-L170 HydrophobicContact CE2-CD1 4.49Å
66F88.2Confident90.8Very high7 Ų735.9 Ų35.93%0.03118%0.178CC..Hα-helixtrans-53.6-51.9174.9169.5-100.6000112.5V62 F63 S68 E69 A70 L147 E154 W155 L158V62-F66 VanDerWaalsContact O-CB 3.31Å; V62-F66 WeakPolarHBondContact O-CB 3.37Å; V62-F66 PolarHBondContact O-N 3.14Å; F63-F66 PolarHBondContact O-N 3.21Å; F66-S68 VanDerWaalsContact C-N 3.28Å; F66-S68 PolarHBondContact O-N 2.97Å; F66-E69 PolarHBondContact O-N 2.93Å; F66-A70 PolarHBondContact O-N 3.17Å; F66-L147 HydrophobicContact CD1-CD1 4.41Å; F66-L147 HydrophobicContact CE1-CB 4.46Å; F66-L147 HydrophobicContact CE1-CD1 3.87Å; F66-E154 HydrophobicContact CE2-CB 4.37Å; F66-E154 HydrophobicContact CZ-CB 4.09Å; F66-W155 HydrophobicContact CD2-CE3 4.19Å; F66-W155 HydrophobicContact CD2-CZ3 4.17Å; F66-W155 HydrophobicContact CE2-CD2 4.27Å; F66-W155 HydrophobicContact CE2-CE3 4.21Å; F66-L158 HydrophobicContact CB-CD1 4.06Å; F66-L158 HydrophobicContact CD2-CB 3.89Å; F66-L158 HydrophobicContact CD2-CD1 4.07Å; F66-L158 HydrophobicContact CD2-CD2 4.06Å; F66-L158 HydrophobicContact CD2-CG 4.22Å; F66-L158 HydrophobicContact CE2-CB 4.34Å
67W91.5Very high90.6Very high10 Ų1037.3 Ų37.34%0.03819%0.185CC..Hα-helixtrans-66.1-34-178.2-166.1-109.8000112F63 L64 Y65 A70 Y74 F77 S92 L95 L147F63-W67 WeakPolarHBondContact O-CB 3.37Å; F63-W67 PolarHBondContact O-N 2.98Å; L64-W67 PolarHBondContact O-N 3.49Å; Y65-W67 PolarHBondContact O-N 2.99Å; W67-A70 HydrophobicContact CE3-CB 4.47Å; W67-A70 PolarHBondContact O-N 3.31Å; W67-Y74 HydrophobicContact CD2-CE1 4.18Å; W67-Y74 AromaticContact CE2-CE1 3.69Å; W67-Y74 HydrophobicContact CZ2-CD1 4.12Å; W67-Y74 AromaticContact CZ2-CE1 3.87Å; W67-Y74 HydrophobicContact CZ2-CE1 3.87Å; W67-Y74 AromaticContact NE1-CE1 3.8Å; W67-Y74 AromaticContact NE1-CZ 3.69Å; W67-Y74 PolarHBondContact NE1-OH 2.71Å; W67-Y74 VanDerWaalsContact O-CE1 3.22Å; W67-Y74 WeakPolarHBondContact O-CE1 3.09Å; W67-Y74 PolarHBondContact O-OH 2.84Å; W67-F77 HydrophobicContact CH2-CB 4.3Å; W67-F77 AromaticContact CH2-CD1 3.98Å; W67-F77 HydrophobicContact CH2-CD1 3.98Å; W67-F77 AromaticContact CH2-CD2 3.77Å; W67-F77 HydrophobicContact CH2-CD2 3.77Å; W67-F77 HydrophobicContact CH2-CE1 4.19Å; W67-F77 HydrophobicContact CH2-CE2 4.01Å; W67-F77 AromaticContact CH2-CG 3.74Å; W67-F77 HydrophobicContact CH2-CG 3.74Å; W67-F77 HydrophobicContact CH2-CZ 4.21Å; W67-F77 HydrophobicContact CZ2-CD1 4.1Å; W67-F77 HydrophobicContact CZ2-CE1 4.2Å; W67-F77 HydrophobicContact CZ2-CG 4.31Å; W67-S92 PolarHBondContact NE1-O 3.34Å; W67-L95 HydrophobicContact CD2-CD2 3.88Å; W67-L95 HydrophobicContact CD2-CG 4.37Å; W67-L95 HydrophobicContact CE3-CD2 4.15Å; W67-L95 HydrophobicContact CH2-CD2 3.95Å; W67-L95 HydrophobicContact CZ2-CB 4.35Å; W67-L95 HydrophobicContact CZ2-CD2 3.67Å; W67-L95 HydrophobicContact CZ2-CG 4.41Å; W67-L95 HydrophobicContact CZ3-CD2 4.17Å; W67-L147 HydrophobicContact CE3-CD1 3.6Å; W67-L147 HydrophobicContact CH2-CD2 4.43Å; W67-L147 HydrophobicContact CZ3-CD1 3.66Å; W67-L147 HydrophobicContact CZ3-CD2 3.78Å; W67-L147 HydrophobicContact CZ3-CG 4.41Å
68S89.4Confident90.5Very high34 Ų3435.8 Ų35.824%0.23818%0.178CC..Hα-helixtrans-67.3-35.9176.4-58.80000112.3L64 Y65 F66 Q71L64-S68 VanDerWaalsContact O-CB 3.28Å; L64-S68 WeakPolarHBondContact O-CB 3.42Å; L64-S68 PolarHBondContact O-N 2.94Å; L64-S68 PolarHBondContact O-OG 3.44Å; Y65-S68 PolarHBondContact O-N 3.24Å; F66-S68 VanDerWaalsContact C-N 3.28Å; F66-S68 PolarHBondContact O-N 2.97Å; S68-Q71 VanDerWaalsContact O-CG 3.23Å; S68-Q71 WeakPolarHBondContact O-CG 3.29Å; S68-Q71 PolarHBondContact O-NE2 3.02Å
69E86.3Confident90.3Very high33 Ų3331.7 Ų31.715%0.15416%0.16CC..Hα-helixtrans-77.5-26.5177.5-64.6-63.614600112.5Y65 F66 Q71 S161Y65-E69 HydrophobicContact CD1-CG 4.49Å; Y65-E69 HydrophobicContact CD2-CG 4.34Å; Y65-E69 HydrophobicContact CE1-CG 3.98Å; Y65-E69 HydrophobicContact CE2-CG 3.81Å; Y65-E69 WeakPolarHBondContact CE2-OE1 3.46Å; Y65-E69 WeakPolarHBondContact O-CG 3.27Å; Y65-E69 PolarHBondContact O-N 3.32Å; F66-E69 PolarHBondContact O-N 2.93Å; E69-Q71 PolarHBondContact O-N 2.88Å; E69-S161 WeakPolarHBondContact OE2-CB 3.16Å; E69-S161 PolarHBondContact OE2-OG 3.48Å
70A87.9Confident90.2Very high6 Ų632.2 Ų32.25%0.0516%0.159CC..G310 helixtrans-72.410.3176.600000114.4F66 W67 N72 D73 Y74F66-A70 PolarHBondContact O-N 3.17Å; W67-A70 HydrophobicContact CE3-CB 4.47Å; W67-A70 PolarHBondContact O-N 3.31Å; A70-N72 PolarHBondContact O-N 3.25Å; A70-D73 PolarHBondContact O-N 3.22Å; A70-Y74 HydrophobicContact CB-CE1 4.38Å; A70-Y74 WeakPolarHBondContact O-CD1 3.27Å
71Q89.2Confident89.9Confident84 Ų8433.6 Ų33.639%0.39317%0.166SC..G310 helixtrans-55-23.9177.3-85.1176.557.200114.2S68 E69 D73 Y74 Q463S68-Q71 VanDerWaalsContact O-CG 3.23Å; S68-Q71 WeakPolarHBondContact O-CG 3.29Å; S68-Q71 PolarHBondContact O-NE2 3.02Å; E69-Q71 PolarHBondContact O-N 2.88Å; Q71-D73 PolarHBondContact O-N 2.83Å; Q71-Y74 HydrophobicContact CB-CE2 4.44Å; Q71-Y74 HydrophobicContact CG-CD2 4.13Å; Q71-Y74 HydrophobicContact CG-CE1 4.16Å; Q71-Y74 HydrophobicContact CG-CE2 3.57Å; Q71-Q463 HydrophobicContact CB-CG 4.4Å; Q71-Q463 PolarHBondContact O-NE2 3.18Å
72N90.3Very high89.8Confident14 Ų1431.3 Ų31.38%0.07516%0.156CC..G310 helixtrans-61.6-31.1174.9-169.980.5000112.6A70 Y438 V460 S462 Q463 L466A70-N72 PolarHBondContact O-N 3.25Å; N72-Y438 WeakPolarHBondContact ND2-CE1 3.45Å; N72-V460 PolarHBondContact ND2-O 3.46Å; N72-V460 PolarHBondContact OD1-O 3.38Å; N72-S462 PolarHBondContact OD1-N 2.91Å; N72-Q463 HydrophobicContact CB-CG 3.82Å; N72-Q463 PolarHBondContact OD1-N 2.96Å; N72-L466 HydrophobicContact CB-CD2 4.42Å
73D88.9Confident89.6Confident10 Ų1031 Ų315%0.05317%0.167CC..G310 helixtrans-112.49.9-170.6-39.8-62.2000112.6A70 Q71 N75 D76 F77 E154 Y438A70-D73 PolarHBondContact O-N 3.22Å; Q71-D73 PolarHBondContact O-N 2.83Å; D73-N75 VanDerWaalsContact C-N 3.28Å; D73-N75 PolarHBondContact O-N 3.03Å; D73-D76 PolarHBondContact O-N 3.04Å; D73-D76 VanDerWaalsContact O-N 3.1Å; D73-F77 PolarHBondContact O-N 3.41Å; D73-E154 VanDerWaalsContact OD2-CG 3.26Å; D73-E154 WeakPolarHBondContact OD2-CG 3.45Å; D73-Y438 PolarHBondContact OD1-OH 2.81Å; D73-Y438 PolarHBondContact OD2-OH 3.05Å
74Y91Very high89.4Confident21 Ų2135.9 Ų35.98%0.08219%0.193CC..Hα-helixtrans-57.1-41.3178.6-82.813.3000112.6W67 A70 Q71 D76 F77 D78 L93 L96W67-Y74 HydrophobicContact CD2-CE1 4.18Å; W67-Y74 AromaticContact CE2-CE1 3.69Å; W67-Y74 HydrophobicContact CZ2-CD1 4.12Å; W67-Y74 AromaticContact CZ2-CE1 3.87Å; W67-Y74 HydrophobicContact CZ2-CE1 3.87Å; W67-Y74 AromaticContact NE1-CE1 3.8Å; W67-Y74 AromaticContact NE1-CZ 3.69Å; W67-Y74 PolarHBondContact NE1-OH 2.71Å; W67-Y74 VanDerWaalsContact O-CE1 3.22Å; W67-Y74 WeakPolarHBondContact O-CE1 3.09Å; W67-Y74 PolarHBondContact O-OH 2.84Å; A70-Y74 HydrophobicContact CB-CE1 4.38Å; A70-Y74 WeakPolarHBondContact O-CD1 3.27Å; Q71-Y74 HydrophobicContact CB-CE2 4.44Å; Q71-Y74 HydrophobicContact CG-CD2 4.13Å; Q71-Y74 HydrophobicContact CG-CE1 4.16Å; Q71-Y74 HydrophobicContact CG-CE2 3.57Å; Y74-D76 VanDerWaalsContact C-N 3.31Å; Y74-D76 PolarHBondContact O-N 3.43Å; Y74-F77 WeakPolarHBondContact O-CB 3.36Å; Y74-F77 PolarHBondContact O-N 3.32Å; Y74-D78 PolarHBondContact O-N 3.21Å; Y74-L93 HydrophobicContact CD2-CD2 4.34Å; Y74-L93 HydrophobicContact CE2-CD2 4.28Å; Y74-L96 HydrophobicContact CE2-CD2 4.38Å
75N89.7Confident89.2Confident21 Ų2138.9 Ų38.911%0.11221%0.209CC..Hα-helixtrans-60.3-42.2176.9174.574.6000111.4D73 D78 W79 F325D73-N75 VanDerWaalsContact C-N 3.28Å; D73-N75 PolarHBondContact O-N 3.03Å; N75-D78 PolarHBondContact O-N 3.45Å; N75-W79 PolarHBondContact O-N 3.05Å; N75-W79 PolarHBondContact OD1-NE1 2.85Å; N75-F325 HydrophobicContact CB-CD1 4.45Å; N75-F325 HydrophobicContact CB-CE1 3.8Å; N75-F325 HydrophobicContact CB-CZ 4.36Å
76D89Confident89Confident75 Ų7540.3 Ų40.340%0.40123%0.233SC..Hα-helixtrans-68.2-38.4179.7-63.7-14.4000111.3D73 Y74 W79 F80 W151D73-D76 PolarHBondContact O-N 3.04Å; D73-D76 VanDerWaalsContact O-N 3.1Å; Y74-D76 VanDerWaalsContact C-N 3.31Å; Y74-D76 PolarHBondContact O-N 3.43Å; D76-W79 PolarHBondContact O-N 3.06Å; D76-F80 WeakPolarHBondContact O-CB 3.47Å; D76-F80 PolarHBondContact O-N 3.1Å; D76-W151 HydrophobicContact CB-CZ2 4.09Å
77F90.1Very high89Confident30 Ų3044.9 Ų44.913%0.13225%0.253CS..Hα-helixtrans-61.6-44.2172.4178.3-96.5000112.1W67 D73 Y74 F80 N81 W91 L95 L147W67-F77 HydrophobicContact CH2-CB 4.3Å; W67-F77 AromaticContact CH2-CD1 3.98Å; W67-F77 HydrophobicContact CH2-CD1 3.98Å; W67-F77 AromaticContact CH2-CD2 3.77Å; W67-F77 HydrophobicContact CH2-CD2 3.77Å; W67-F77 HydrophobicContact CH2-CE1 4.19Å; W67-F77 HydrophobicContact CH2-CE2 4.01Å; W67-F77 AromaticContact CH2-CG 3.74Å; W67-F77 HydrophobicContact CH2-CG 3.74Å; W67-F77 HydrophobicContact CH2-CZ 4.21Å; W67-F77 HydrophobicContact CZ2-CD1 4.1Å; W67-F77 HydrophobicContact CZ2-CE1 4.2Å; W67-F77 HydrophobicContact CZ2-CG 4.31Å; D73-F77 PolarHBondContact O-N 3.41Å; Y74-F77 WeakPolarHBondContact O-CB 3.36Å; Y74-F77 PolarHBondContact O-N 3.32Å; F77-F80 PolarHBondContact O-N 3.41Å; F77-N81 VanDerWaalsContact CE1-ND2 3.25Å; F77-N81 WeakPolarHBondContact CE1-ND2 3.33Å; F77-N81 VanDerWaalsContact CZ-ND2 3.3Å; F77-N81 WeakPolarHBondContact CZ-ND2 3.31Å; F77-N81 PolarHBondContact O-N 2.97Å; F77-N81 PolarHBondContact O-ND2 3.14Å; F77-W91 HydrophobicContact CD1-CB 4.41Å; F77-W91 HydrophobicContact CE1-CB 3.78Å; F77-L95 HydrophobicContact CZ-CD2 4.24Å; F77-L147 HydrophobicContact CE2-CD2 4.15Å
78D91.9Very high88.9Confident7 Ų746.5 Ų46.54%0.03726%0.26CS..Hα-helixtrans-67.9-38.5180-70.8-28.3000111.5Y74 N75 N81 F82 W88 W91 S92Y74-D78 PolarHBondContact O-N 3.21Å; N75-D78 PolarHBondContact O-N 3.45Å; D78-N81 PolarHBondContact O-N 2.97Å; D78-F82 WeakPolarHBondContact O-CB 3.4Å; D78-F82 PolarHBondContact O-N 3.29Å; D78-W88 HydrophobicContact CB-CH2 3.76Å; D78-W88 HydrophobicContact CB-CZ2 4.33Å; D78-W88 HydrophobicContact CB-CZ3 4.21Å; D78-W91 WeakPolarHBondContact OD1-CA 3.46Å; D78-W91 PolarHBondContact OD1-N 3.13Å; D78-S92 WeakPolarHBondContact OD1-CB 3.42Å; D78-S92 PolarHBondContact OD1-N 3.35Å; D78-S92 PolarHBondContact OD1-OG 2.92Å; D78-S92 WeakPolarHBondContact OD2-CB 3.47Å; D78-S92 PolarHBondContact OD2-OG 3.28Å
79W89.7Confident89Confident28 Ų2849 Ų4911%0.10627%0.266CS..Hα-helixtrans-65.5-38.7172.4-77.7120.3000113.6N75 D76 N81 F82 G83 W88 R286 W318 P324N75-W79 PolarHBondContact O-N 3.05Å; N75-W79 PolarHBondContact OD1-NE1 2.85Å; D76-W79 PolarHBondContact O-N 3.06Å; W79-N81 VanDerWaalsContact C-N 3.32Å; W79-N81 PolarHBondContact O-N 3.06Å; W79-F82 HydrophobicContact CE3-CB 4.04Å; W79-F82 AromaticContact CE3-CD1 3.67Å; W79-F82 HydrophobicContact CE3-CD1 3.67Å; W79-F82 HydrophobicContact CE3-CE1 4.44Å; W79-F82 AromaticContact CE3-CG 3.99Å; W79-F82 HydrophobicContact CE3-CG 3.99Å; W79-F82 AromaticContact CZ3-CD1 3.65Å; W79-F82 HydrophobicContact CZ3-CD1 3.65Å; W79-F82 HydrophobicContact CZ3-CE1 4.02Å; W79-F82 HydrophobicContact CZ3-CG 4.03Å; W79-F82 WeakPolarHBondContact O-CB 3.5Å; W79-F82 PolarHBondContact O-N 3.49Å; W79-G83 PolarHBondContact O-N 3.18Å; W79-W88 HydrophobicContact CD2-CE3 4.27Å; W79-W88 HydrophobicContact CD2-CH2 4.08Å; W79-W88 AromaticContact CD2-CZ3 3.38Å; W79-W88 HydrophobicContact CD2-CZ3 3.38Å; W79-W88 AromaticContact CE2-CH2 3.94Å; W79-W88 AromaticContact CE2-CZ3 3.62Å; W79-W88 AromaticContact CE3-CE3 3.75Å; W79-W88 HydrophobicContact CE3-CE3 3.75Å; W79-W88 HydrophobicContact CE3-CH2 4.4Å; W79-W88 AromaticContact CE3-CZ3 3.32Å; W79-W88 HydrophobicContact CE3-CZ3 3.32Å; W79-W88 HydrophobicContact CG-CZ3 4.03Å; W79-W88 AromaticContact CH2-CE3 4Å; W79-W88 HydrophobicContact CH2-CE3 4Å; W79-W88 AromaticContact CH2-CZ3 3.85Å; W79-W88 HydrophobicContact CH2-CZ3 3.85Å; W79-W88 HydrophobicContact CZ2-CE3 4.47Å; W79-W88 HydrophobicContact CZ2-CH2 4.23Å; W79-W88 AromaticContact CZ2-CZ3 3.89Å; W79-W88 HydrophobicContact CZ2-CZ3 3.89Å; W79-W88 AromaticContact CZ3-CE3 3.57Å; W79-W88 HydrophobicContact CZ3-CE3 3.57Å; W79-W88 AromaticContact CZ3-CZ3 3.54Å; W79-W88 HydrophobicContact CZ3-CZ3 3.54Å; W79-R286 HydrophobicContact CD2-CG 4.31Å; W79-R286 HydrophobicContact CE3-CG 3.63Å; W79-R286 HydrophobicContact CH2-CG 3.41Å; W79-R286 VanDerWaalsContact CH2-CG 3.41Å; W79-R286 HydrophobicContact CZ2-CG 4.11Å; W79-R286 HydrophobicContact CZ3-CG 3.16Å; W79-W318 HydrophobicContact CH2-CE3 4.08Å; W79-W318 AromaticContact CH2-CZ3 3.78Å; W79-W318 HydrophobicContact CH2-CZ3 3.78Å; W79-W318 HydrophobicContact CZ2-CE3 4.34Å; W79-W318 HydrophobicContact CZ2-CH2 4.2Å; W79-W318 AromaticContact CZ2-CZ3 3.57Å; W79-W318 HydrophobicContact CZ2-CZ3 3.57Å; W79-P324 HydrophobicContact CZ2-CB 4.15Å
80F89.8Confident89.2Confident79 Ų7949.9 Ų49.935%0.34627%0.274SS..Hα-helixtrans-59.9-44.3173.5176.4-95.4000111.2D76 F77 G83 N84 L150 W151D76-F80 WeakPolarHBondContact O-CB 3.47Å; D76-F80 PolarHBondContact O-N 3.1Å; F77-F80 PolarHBondContact O-N 3.41Å; F80-G83 PolarHBondContact O-N 2.7Å; F80-N84 WeakPolarHBondContact CE1-ND2 3.3Å; F80-N84 WeakPolarHBondContact CZ-ND2 3.5Å; F80-N84 PolarHBondContact O-N 3.07Å; F80-N84 PolarHBondContact O-ND2 3.19Å; F80-L150 HydrophobicContact CE1-CD1 4.09Å; F80-L150 HydrophobicContact CZ-CD1 4.33Å; F80-L150 HydrophobicContact CZ-CD2 4.21Å; F80-W151 HydrophobicContact CB-CH2 4.06Å; F80-W151 HydrophobicContact CB-CZ3 4.2Å; F80-W151 HydrophobicContact CD1-CZ3 4.44Å; F80-W151 HydrophobicContact CD2-CH2 4.45Å; F80-W151 HydrophobicContact CD2-CZ3 4.09Å; F80-W151 HydrophobicContact CG-CH2 4.31Å; F80-W151 AromaticContact CG-CZ3 3.98Å; F80-W151 HydrophobicContact CG-CZ3 3.98Å
81N89.8Confident89.4Confident32 Ų3253.2 Ų53.217%0.17129%0.286CS..Hα-helixtrans-67.4-38.6176.4-76.5-80000112.1F77 D78 W79 G83 N84 L85 W91F77-N81 VanDerWaalsContact CE1-ND2 3.25Å; F77-N81 WeakPolarHBondContact CE1-ND2 3.33Å; F77-N81 VanDerWaalsContact CZ-ND2 3.3Å; F77-N81 WeakPolarHBondContact CZ-ND2 3.31Å; F77-N81 PolarHBondContact O-N 2.97Å; F77-N81 PolarHBondContact O-ND2 3.14Å; D78-N81 PolarHBondContact O-N 2.97Å; W79-N81 VanDerWaalsContact C-N 3.32Å; W79-N81 PolarHBondContact O-N 3.06Å; N81-G83 VanDerWaalsContact C-N 3.34Å; N81-G83 PolarHBondContact O-N 3.11Å; N81-N84 PolarHBondContact O-N 3.15Å; N81-L85 HydrophobicContact CB-CD1 4.38Å; N81-L85 VanDerWaalsContact O-CB 3.32Å; N81-L85 WeakPolarHBondContact O-CB 3.42Å; N81-L85 WeakPolarHBondContact O-CG 3.33Å; N81-L85 PolarHBondContact O-N 3.45Å; N81-W91 VanDerWaalsContact CB-CD1 3.42Å; N81-W91 HydrophobicContact CB-CG 4.11Å
82F89.7Confident89.6Confident35 Ų3549.3 Ų49.315%0.15427%0.268CS..Hα-helixtrans-57.1-46.7173.6175.7-103.6000111.9D78 W79 N84 G86 F87 W88D78-F82 WeakPolarHBondContact O-CB 3.4Å; D78-F82 PolarHBondContact O-N 3.29Å; W79-F82 HydrophobicContact CE3-CB 4.04Å; W79-F82 AromaticContact CE3-CD1 3.67Å; W79-F82 HydrophobicContact CE3-CD1 3.67Å; W79-F82 HydrophobicContact CE3-CE1 4.44Å; W79-F82 AromaticContact CE3-CG 3.99Å; W79-F82 HydrophobicContact CE3-CG 3.99Å; W79-F82 AromaticContact CZ3-CD1 3.65Å; W79-F82 HydrophobicContact CZ3-CD1 3.65Å; W79-F82 HydrophobicContact CZ3-CE1 4.02Å; W79-F82 HydrophobicContact CZ3-CG 4.03Å; W79-F82 WeakPolarHBondContact O-CB 3.5Å; W79-F82 PolarHBondContact O-N 3.49Å; F82-N84 VanDerWaalsContact C-N 3.26Å; F82-N84 PolarHBondContact O-N 2.57Å; F82-G86 WeakPolarHBondContact O-CA 3.35Å; F82-G86 PolarHBondContact O-N 3.07Å; F82-F87 WeakPolarHBondContact CD2-O 3.48Å; F82-W88 HydrophobicContact CB-CE3 3.94Å; F82-W88 HydrophobicContact CB-CZ3 4.33Å; F82-W88 HydrophobicContact CD2-CB 3.83Å; F82-W88 HydrophobicContact CD2-CE3 4.12Å; F82-W88 HydrophobicContact CE2-CB 4.07Å; F82-W88 HydrophobicContact CG-CE3 4.07Å
83G85.6Confident89.7Confident64 Ų6453.4 Ų53.466%0.6629%0.289SS*.Hα-helixtrans-62.1-31.8178.900000113.7W79 F80 N81W79-G83 PolarHBondContact O-N 3.18Å; F80-G83 PolarHBondContact O-N 2.7Å; N81-G83 VanDerWaalsContact C-N 3.34Å; N81-G83 PolarHBondContact O-N 3.11Å
84N87.4Confident90Very high107 Ų10755.6 Ų55.657%0.57230%0.303SS*.Hα-helixtrans-88.7-37.7-179-70-50000113.7F80 N81 F82F80-N84 WeakPolarHBondContact CE1-ND2 3.3Å; F80-N84 WeakPolarHBondContact CZ-ND2 3.5Å; F80-N84 PolarHBondContact O-N 3.07Å; F80-N84 PolarHBondContact O-ND2 3.19Å; N81-N84 PolarHBondContact O-N 3.15Å; F82-N84 VanDerWaalsContact C-N 3.26Å; F82-N84 PolarHBondContact O-N 2.57Å
85L88.8Confident90.1Very high89 Ų8956.1 Ų56.147%0.46631%0.307SS..Hα-helixtrans-94.8-20.5-175-62.9173.9000113.2N81 F87 W91N81-L85 HydrophobicContact CB-CD1 4.38Å; N81-L85 VanDerWaalsContact O-CB 3.32Å; N81-L85 WeakPolarHBondContact O-CB 3.42Å; N81-L85 WeakPolarHBondContact O-CG 3.33Å; N81-L85 PolarHBondContact O-N 3.45Å; L85-F87 VanDerWaalsContact C-N 3.29Å; L85-F87 HydrophobicContact CB-CD1 3.97Å; L85-F87 HydrophobicContact CB-CE1 3.87Å; L85-F87 HydrophobicContact CD1-CE1 4.38Å; L85-F87 HydrophobicContact CD1-CZ 4.47Å; L85-F87 PolarHBondContact O-N 3.36Å; L85-W91 HydrophobicContact CD1-CZ2 3.67Å
86G84.5Confident90.4Very high61 Ų6157 Ų5763%0.62931%0.312SS*.SBendtrans78.44178.700000115.3F82F82-G86 WeakPolarHBondContact O-CA 3.35Å; F82-G86 PolarHBondContact O-N 3.07Å
87F88.3Confident90.7Very high103 Ų10356.4 Ų56.445%0.45232%0.317SS..SBendtrans-135.3147.8174.871.1-90.6000111.8F82 L85 F89 W91F82-F87 WeakPolarHBondContact CD2-O 3.48Å; L85-F87 VanDerWaalsContact C-N 3.29Å; L85-F87 HydrophobicContact CB-CD1 3.97Å; L85-F87 HydrophobicContact CB-CE1 3.87Å; L85-F87 HydrophobicContact CD1-CE1 4.38Å; L85-F87 HydrophobicContact CD1-CZ 4.47Å; L85-F87 PolarHBondContact O-N 3.36Å; F87-F89 HydrophobicContact CD2-CB 4.11Å; F87-F89 HydrophobicContact CE2-CB 3.88Å; F87-W91 AromaticContact CE2-CZ2 3.71Å; F87-W91 HydrophobicContact CE2-CZ2 3.71Å; F87-W91 HydrophobicContact CZ-CH2 4.3Å; F87-W91 AromaticContact CZ-CZ2 3.51Å; F87-W91 HydrophobicContact CZ-CZ2 3.51Å
88W89.3Confident91Very high44 Ų4457.8 Ų57.817%0.16733%0.328CS..  trans-86.7127.9-176179.1-96.2000110.7D78 W79 F82 R322 P324D78-W88 HydrophobicContact CB-CH2 3.76Å; D78-W88 HydrophobicContact CB-CZ2 4.33Å; D78-W88 HydrophobicContact CB-CZ3 4.21Å; W79-W88 HydrophobicContact CD2-CE3 4.27Å; W79-W88 HydrophobicContact CD2-CH2 4.08Å; W79-W88 AromaticContact CD2-CZ3 3.38Å; W79-W88 HydrophobicContact CD2-CZ3 3.38Å; W79-W88 AromaticContact CE2-CH2 3.94Å; W79-W88 AromaticContact CE2-CZ3 3.62Å; W79-W88 AromaticContact CE3-CE3 3.75Å; W79-W88 HydrophobicContact CE3-CE3 3.75Å; W79-W88 HydrophobicContact CE3-CH2 4.4Å; W79-W88 AromaticContact CE3-CZ3 3.32Å; W79-W88 HydrophobicContact CE3-CZ3 3.32Å; W79-W88 HydrophobicContact CG-CZ3 4.03Å; W79-W88 AromaticContact CH2-CE3 4Å; W79-W88 HydrophobicContact CH2-CE3 4Å; W79-W88 AromaticContact CH2-CZ3 3.85Å; W79-W88 HydrophobicContact CH2-CZ3 3.85Å; W79-W88 HydrophobicContact CZ2-CE3 4.47Å; W79-W88 HydrophobicContact CZ2-CH2 4.23Å; W79-W88 AromaticContact CZ2-CZ3 3.89Å; W79-W88 HydrophobicContact CZ2-CZ3 3.89Å; W79-W88 AromaticContact CZ3-CE3 3.57Å; W79-W88 HydrophobicContact CZ3-CE3 3.57Å; W79-W88 AromaticContact CZ3-CZ3 3.54Å; W79-W88 HydrophobicContact CZ3-CZ3 3.54Å; F82-W88 HydrophobicContact CB-CE3 3.94Å; F82-W88 HydrophobicContact CB-CZ3 4.33Å; F82-W88 HydrophobicContact CD2-CB 3.83Å; F82-W88 HydrophobicContact CD2-CE3 4.12Å; F82-W88 HydrophobicContact CE2-CB 4.07Å; F82-W88 HydrophobicContact CG-CE3 4.07Å; W88-R322 HydrophobicContact CB-CB 4.43Å; W88-R322 HydrophobicContact CB-CG 3.97Å; W88-R322 VanDerWaalsContact CD1-O 3.24Å; W88-R322 HydrophobicContact CD2-CB 3.98Å; W88-R322 HydrophobicContact CD2-CG 4.35Å; W88-R322 HydrophobicContact CG-CB 3.73Å; W88-R322 HydrophobicContact CG-CG 3.81Å; W88-R322 PolarHBondContact NE1-O 2.79Å; W88-P324 HydrophobicContact CH2-CB 3.95Å; W88-P324 HydrophobicContact CZ2-CB 3.89Å
89F91Very high91.2Very high87 Ų8757.7 Ų57.738%0.38233%0.328SS..  trans-159.3141.5175.4-169-102.8000109.7F87 W91 V94F87-F89 HydrophobicContact CD2-CB 4.11Å; F87-F89 HydrophobicContact CE2-CB 3.88Å; F89-W91 HydrophobicContact CB-CZ2 4.41Å; F89-W91 AromaticContact CD1-CD2 3.77Å; F89-W91 HydrophobicContact CD1-CD2 3.77Å; F89-W91 AromaticContact CD1-CE2 3.83Å; F89-W91 AromaticContact CD1-CE3 3.94Å; F89-W91 HydrophobicContact CD1-CE3 3.94Å; F89-W91 HydrophobicContact CD1-CG 4.25Å; F89-W91 HydrophobicContact CD1-CH2 4.28Å; F89-W91 HydrophobicContact CD1-CZ2 4.12Å; F89-W91 HydrophobicContact CD1-CZ3 4.19Å; F89-W91 HydrophobicContact CE1-CE3 4.3Å; F89-W91 HydrophobicContact CE1-CZ3 4.36Å; F89-W91 PolarHBondContact O-N 2.87Å; F89-V94 HydrophobicContact CD1-CG2 4.5Å; F89-V94 HydrophobicContact CE1-CB 4.49Å; F89-V94 HydrophobicContact CE1-CG2 3.48Å; F89-V94 VanDerWaalsContact CE1-CG2 3.48Å; F89-V94 HydrophobicContact CZ-CG2 4.02Å
90P91.7Very high91.5Very high50 Ų5058 Ų5833%0.32534%0.336SS..  trans-76.873.7-179.632.2-36.2000111.1S92 L93 V94P90-S92 PolarHBondContact O-N 3.47Å; P90-L93 HydrophobicContact CB-CD1 4.14Å; P90-L93 HydrophobicContact CB-CG 4.36Å; P90-L93 PolarHBondContact O-N 2.86Å; P90-V94 PolarHBondContact O-N 3.1Å
91W92.2Very high91.9Very high76 Ų7657.2 Ų57.229%0.28834%0.344SS..Hα-helixtrans-61.5-31.6-179.1-69.8107.4000112.7F77 D78 N81 L85 F87 F89 L93 V94 L95F77-W91 HydrophobicContact CD1-CB 4.41Å; F77-W91 HydrophobicContact CE1-CB 3.78Å; D78-W91 WeakPolarHBondContact OD1-CA 3.46Å; D78-W91 PolarHBondContact OD1-N 3.13Å; N81-W91 VanDerWaalsContact CB-CD1 3.42Å; N81-W91 HydrophobicContact CB-CG 4.11Å; L85-W91 HydrophobicContact CD1-CZ2 3.67Å; F87-W91 AromaticContact CE2-CZ2 3.71Å; F87-W91 HydrophobicContact CE2-CZ2 3.71Å; F87-W91 HydrophobicContact CZ-CH2 4.3Å; F87-W91 AromaticContact CZ-CZ2 3.51Å; F87-W91 HydrophobicContact CZ-CZ2 3.51Å; F89-W91 HydrophobicContact CB-CZ2 4.41Å; F89-W91 AromaticContact CD1-CD2 3.77Å; F89-W91 HydrophobicContact CD1-CD2 3.77Å; F89-W91 AromaticContact CD1-CE2 3.83Å; F89-W91 AromaticContact CD1-CE3 3.94Å; F89-W91 HydrophobicContact CD1-CE3 3.94Å; F89-W91 HydrophobicContact CD1-CG 4.25Å; F89-W91 HydrophobicContact CD1-CH2 4.28Å; F89-W91 HydrophobicContact CD1-CZ2 4.12Å; F89-W91 HydrophobicContact CD1-CZ3 4.19Å; F89-W91 HydrophobicContact CE1-CE3 4.3Å; F89-W91 HydrophobicContact CE1-CZ3 4.36Å; F89-W91 PolarHBondContact O-N 2.87Å; W91-L93 PolarHBondContact O-N 3.33Å; W91-V94 PolarHBondContact O-N 2.98Å; W91-L95 WeakPolarHBondContact O-CB 3.49Å; W91-L95 PolarHBondContact O-N 3.5Å
92S92.9Very high92.1Very high3 Ų357.3 Ų57.32%0.02135%0.345CS..Hα-helixtrans-58.1-45.7177.861.60000112.6W67 D78 P90 L95 L96W67-S92 PolarHBondContact NE1-O 3.34Å; D78-S92 WeakPolarHBondContact OD1-CB 3.42Å; D78-S92 PolarHBondContact OD1-N 3.35Å; D78-S92 PolarHBondContact OD1-OG 2.92Å; D78-S92 WeakPolarHBondContact OD2-CB 3.47Å; D78-S92 PolarHBondContact OD2-OG 3.28Å; P90-S92 PolarHBondContact O-N 3.47Å; S92-L95 PolarHBondContact O-N 3.46Å; S92-L96 PolarHBondContact O-N 2.72Å
93L93.2Very high92.4Very high99 Ų9957.4 Ų57.452%0.51835%0.345SS..Hα-helixtrans-69.6-36.8177.7-62.8-177.6000112.2Y74 P90 W91 L96 A97Y74-L93 HydrophobicContact CD2-CD2 4.34Å; Y74-L93 HydrophobicContact CE2-CD2 4.28Å; P90-L93 HydrophobicContact CB-CD1 4.14Å; P90-L93 HydrophobicContact CB-CG 4.36Å; P90-L93 PolarHBondContact O-N 2.86Å; W91-L93 PolarHBondContact O-N 3.33Å; L93-L96 PolarHBondContact O-N 3.43Å; L93-A97 WeakPolarHBondContact O-CB 3.36Å; L93-A97 PolarHBondContact O-N 3.04Å
94V94.3Very high92.9Very high57 Ų5758 Ų5835%0.34534%0.336SS..Hα-helixtrans-65.9-43174.2172.80000111F89 P90 W91 L96 A97 V98F89-V94 HydrophobicContact CD1-CG2 4.5Å; F89-V94 HydrophobicContact CE1-CB 4.49Å; F89-V94 HydrophobicContact CE1-CG2 3.48Å; F89-V94 VanDerWaalsContact CE1-CG2 3.48Å; F89-V94 HydrophobicContact CZ-CG2 4.02Å; P90-V94 PolarHBondContact O-N 3.1Å; W91-V94 PolarHBondContact O-N 2.98Å; V94-L96 VanDerWaalsContact C-N 3.31Å; V94-L96 PolarHBondContact O-N 3.3Å; V94-A97 PolarHBondContact O-N 3.13Å; V94-V98 HydrophobicContact CG1-CG2 4.3Å; V94-V98 WeakPolarHBondContact O-CB 3.42Å; V94-V98 VanDerWaalsContact O-CG2 3.31Å; V94-V98 WeakPolarHBondContact O-CG2 3.39Å; V94-V98 PolarHBondContact O-N 3.21Å
95L94.1Very high93.3Very high32 Ų3256.5 Ų56.517%0.16832%0.323CS..Hα-helixtrans-61-42.8176.4-174.161.2000111.1F63 W67 F77 W91 S92 A99 F139F63-L95 HydrophobicContact CZ-CD1 4.29Å; F63-L95 HydrophobicContact CZ-CD2 4.38Å; F63-L95 HydrophobicContact CZ-CG 4.36Å; W67-L95 HydrophobicContact CD2-CD2 3.88Å; W67-L95 HydrophobicContact CD2-CG 4.37Å; W67-L95 HydrophobicContact CE3-CD2 4.15Å; W67-L95 HydrophobicContact CH2-CD2 3.95Å; W67-L95 HydrophobicContact CZ2-CB 4.35Å; W67-L95 HydrophobicContact CZ2-CD2 3.67Å; W67-L95 HydrophobicContact CZ2-CG 4.41Å; W67-L95 HydrophobicContact CZ3-CD2 4.17Å; F77-L95 HydrophobicContact CZ-CD2 4.24Å; W91-L95 WeakPolarHBondContact O-CB 3.49Å; W91-L95 PolarHBondContact O-N 3.5Å; S92-L95 PolarHBondContact O-N 3.46Å; L95-A99 VanDerWaalsContact O-CB 3.25Å; L95-A99 WeakPolarHBondContact O-CB 3.39Å; L95-A99 PolarHBondContact O-N 3.23Å; L95-F139 HydrophobicContact CD1-CE2 3.99Å; L95-F139 HydrophobicContact CD1-CZ 3.61Å
96L95.1Very high93.6Very high40 Ų4052.2 Ų52.221%0.20930%0.3CS..Hα-helixtrans-61.3-48175-178.163.8000112L64 Y74 S92 L93 V94 V98 A99 A100L64-L96 HydrophobicContact CD1-CD1 3.96Å; Y74-L96 HydrophobicContact CE2-CD2 4.38Å; S92-L96 PolarHBondContact O-N 2.72Å; L93-L96 PolarHBondContact O-N 3.43Å; V94-L96 VanDerWaalsContact C-N 3.31Å; V94-L96 PolarHBondContact O-N 3.3Å; L96-V98 PolarHBondContact O-N 3.26Å; L96-A99 PolarHBondContact O-N 3.3Å; L96-A100 VanDerWaalsContact O-CB 3.3Å; L96-A100 WeakPolarHBondContact O-CB 3.17Å; L96-A100 PolarHBondContact O-N 3.17Å
97A96.2Very high94Very high61 Ų6150.3 Ų50.350%0.50428%0.279SS..Hα-helixtrans-63.2-43.1-179.300000112.3L93 V94 A100 A101L93-A97 WeakPolarHBondContact O-CB 3.36Å; L93-A97 PolarHBondContact O-N 3.04Å; V94-A97 PolarHBondContact O-N 3.13Å; A97-A100 PolarHBondContact O-N 2.66Å; A97-A101 WeakPolarHBondContact O-CB 3.25Å; A97-A101 PolarHBondContact O-N 2.95Å
98V96.2Very high94.3Very high60 Ų6050.4 Ų50.436%0.36428%0.283SS..Hα-helixtrans-64.1-46.4176.1171.90000110.6V94 L96 A100 A101 L102 F139V94-V98 HydrophobicContact CG1-CG2 4.3Å; V94-V98 WeakPolarHBondContact O-CB 3.42Å; V94-V98 VanDerWaalsContact O-CG2 3.31Å; V94-V98 WeakPolarHBondContact O-CG2 3.39Å; V94-V98 PolarHBondContact O-N 3.21Å; L96-V98 PolarHBondContact O-N 3.26Å; V98-A100 PolarHBondContact O-N 2.85Å; V98-A101 PolarHBondContact O-N 2.87Å; V98-L102 HydrophobicContact CG1-CD1 3.89Å; V98-L102 HydrophobicContact CG1-CG 4.4Å; V98-L102 WeakPolarHBondContact O-CB 3.45Å; V98-L102 VanDerWaalsContact O-CG 3.31Å; V98-L102 WeakPolarHBondContact O-CG 3.39Å; V98-L102 PolarHBondContact O-N 2.67Å; V98-F139 HydrophobicContact CB-CZ 4.47Å; V98-F139 HydrophobicContact CG1-CD2 4.48Å; V98-F139 HydrophobicContact CG1-CE1 4.44Å; V98-F139 HydrophobicContact CG1-CE2 3.86Å; V98-F139 HydrophobicContact CG1-CZ 3.83Å
99A95.7Very high94.4Very high5 Ų548.5 Ų48.54%0.04128%0.276CS..Hα-helixtrans-59.6-45.5177.300000111.9F63 L64 L95 L96 L102 F103 F139F63-A99 HydrophobicContact CD1-CB 4Å; F63-A99 HydrophobicContact CE1-CB 3.74Å; L64-A99 HydrophobicContact CD1-CB 3.97Å; L95-A99 VanDerWaalsContact O-CB 3.25Å; L95-A99 WeakPolarHBondContact O-CB 3.39Å; L95-A99 PolarHBondContact O-N 3.23Å; L96-A99 PolarHBondContact O-N 3.3Å; A99-L102 PolarHBondContact O-N 2.89Å; A99-F103 VanDerWaalsContact O-CB 3.3Å; A99-F103 WeakPolarHBondContact O-CB 3.37Å; A99-F103 PolarHBondContact O-N 3.17Å; A99-F139 HydrophobicContact CB-CE1 4.21Å
100A96.5Very high94.4Very high34 Ų3445.9 Ų45.928%0.28127%0.266SS..Hα-helixtrans-64.7-42.1178.700000112.1L64 L96 A97 V98 T104L64-A100 HydrophobicContact CD1-CB 4.11Å; L96-A100 VanDerWaalsContact O-CB 3.3Å; L96-A100 WeakPolarHBondContact O-CB 3.17Å; L96-A100 PolarHBondContact O-N 3.17Å; A97-A100 PolarHBondContact O-N 2.66Å; V98-A100 PolarHBondContact O-N 2.85Å; A100-T104 VanDerWaalsContact O-CB 3.28Å; A100-T104 WeakPolarHBondContact O-CB 3.45Å; A100-T104 PolarHBondContact O-N 2.94Å; A100-T104 PolarHBondContact O-OG1 3.1Å
101A96.5Very high94.3Very high62 Ų6247.6 Ų47.651%0.51228%0.276SS..Hα-helixtrans-64.2-4617700000111.8A97 V98 T104 Y105A97-A101 WeakPolarHBondContact O-CB 3.25Å; A97-A101 PolarHBondContact O-N 2.95Å; V98-A101 PolarHBondContact O-N 2.87Å; A101-T104 PolarHBondContact O-N 2.74Å; A101-Y105 WeakPolarHBondContact O-CB 3.46Å; A101-Y105 PolarHBondContact O-N 3.29Å
102L95.6Very high94.1Very high35 Ų3545.3 Ų45.318%0.18327%0.269CS..Hα-helixtrans-63-47176.5-70.2173.7000111.3V98 A99 T104 Y105 I106 A136 F139V98-L102 HydrophobicContact CG1-CD1 3.89Å; V98-L102 HydrophobicContact CG1-CG 4.4Å; V98-L102 WeakPolarHBondContact O-CB 3.45Å; V98-L102 VanDerWaalsContact O-CG 3.31Å; V98-L102 WeakPolarHBondContact O-CG 3.39Å; V98-L102 PolarHBondContact O-N 2.67Å; A99-L102 PolarHBondContact O-N 2.89Å; L102-T104 PolarHBondContact O-N 2.64Å; L102-Y105 PolarHBondContact O-N 3.19Å; L102-I106 VanDerWaalsContact O-CG1 3.28Å; L102-I106 WeakPolarHBondContact O-CG1 3.3Å; L102-I106 PolarHBondContact O-N 3.05Å; L102-A136 HydrophobicContact CB-CB 4.37Å; L102-A136 HydrophobicContact CD2-CB 4.28Å; L102-F139 HydrophobicContact CD1-CB 4.04Å; L102-F139 HydrophobicContact CD1-CD1 3.45Å; L102-F139 VanDerWaalsContact CD1-CD1 3.45Å; L102-F139 HydrophobicContact CD1-CD2 4.32Å; L102-F139 HydrophobicContact CD1-CE1 3.91Å; L102-F139 HydrophobicContact CD1-CG 3.67Å
103F96.2Very high93.8Very high37 Ų3745.2 Ų45.216%0.16227%0.268CS..Hα-helixtrans-60.1-46.8176.8174.1-105.8000111.7F57 F61 L64 A99 Y105 I106 A107F57-F103 AromaticContact CD2-CE2 3.86Å; F57-F103 HydrophobicContact CD2-CE2 3.86Å; F57-F103 AromaticContact CE2-CE2 3.52Å; F57-F103 HydrophobicContact CE2-CE2 3.52Å; F57-F103 AromaticContact CE2-CZ 3.75Å; F57-F103 HydrophobicContact CE2-CZ 3.75Å; F57-F103 HydrophobicContact CZ-CE2 4.03Å; F57-F103 HydrophobicContact CZ-CZ 4.12Å; F61-F103 HydrophobicContact CB-CD2 4.29Å; F61-F103 HydrophobicContact CB-CE2 3.72Å; F61-F103 HydrophobicContact CB-CZ 4.44Å; F61-F103 HydrophobicContact CD2-CE2 4.01Å; F61-F103 AromaticContact CD2-CZ 3.88Å; F61-F103 HydrophobicContact CD2-CZ 3.88Å; F61-F103 HydrophobicContact CG-CE2 4.36Å; L64-F103 HydrophobicContact CD2-CB 3.79Å; L64-F103 HydrophobicContact CD2-CD1 3.49Å; L64-F103 VanDerWaalsContact CD2-CD1 3.49Å; L64-F103 HydrophobicContact CD2-CE1 4.27Å; L64-F103 HydrophobicContact CD2-CG 3.72Å; A99-F103 VanDerWaalsContact O-CB 3.3Å; A99-F103 WeakPolarHBondContact O-CB 3.37Å; A99-F103 PolarHBondContact O-N 3.17Å; F103-Y105 VanDerWaalsContact C-N 3.31Å; F103-Y105 PolarHBondContact O-N 2.98Å; F103-I106 PolarHBondContact O-N 3.1Å; F103-A107 HydrophobicContact CE1-CB 4.45Å; F103-A107 HydrophobicContact CZ-CB 4.33Å; F103-A107 VanDerWaalsContact O-CB 3.29Å; F103-A107 WeakPolarHBondContact O-CB 3.19Å; F103-A107 PolarHBondContact O-N 3Å
104T95.5Very high93.4Very high75 Ų7542.4 Ų42.446%0.4626%0.255SS..Hα-helixtrans-58.9-44.5178.8-59.10000111A100 A101 L102 A107 L108A100-T104 VanDerWaalsContact O-CB 3.28Å; A100-T104 WeakPolarHBondContact O-CB 3.45Å; A100-T104 PolarHBondContact O-N 2.94Å; A100-T104 PolarHBondContact O-OG1 3.1Å; A101-T104 PolarHBondContact O-N 2.74Å; L102-T104 PolarHBondContact O-N 2.64Å; T104-A107 PolarHBondContact O-N 3.34Å; T104-L108 HydrophobicContact CG2-CD1 4.02Å; T104-L108 HydrophobicContact CG2-CG 4.41Å; T104-L108 WeakPolarHBondContact O-CB 3.28Å; T104-L108 VanDerWaalsContact O-CG 3.23Å; T104-L108 WeakPolarHBondContact O-CG 3.4Å; T104-L108 PolarHBondContact O-N 3.23Å
105Y95.2Very high92.9Very high76 Ų7641.5 Ų41.530%0.29825%0.251SS..Hα-helixtrans-60.1-46.4175.9170.2-103.1000112.5A101 L102 F103 L108 L109 H129A101-Y105 WeakPolarHBondContact O-CB 3.46Å; A101-Y105 PolarHBondContact O-N 3.29Å; L102-Y105 PolarHBondContact O-N 3.19Å; F103-Y105 VanDerWaalsContact C-N 3.31Å; F103-Y105 PolarHBondContact O-N 2.98Å; Y105-L108 PolarHBondContact O-N 3.4Å; Y105-L109 HydrophobicContact CD1-CD1 4.24Å; Y105-L109 HydrophobicContact CE1-CD1 3.62Å; Y105-L109 HydrophobicContact CE2-CD1 4.04Å; Y105-L109 HydrophobicContact CE2-CG 4.4Å; Y105-L109 WeakPolarHBondContact O-CG 3.36Å; Y105-L109 PolarHBondContact O-N 3.15Å; Y105-H129 AromaticContact CE2-ND1 3.84Å; Y105-H129 AromaticContact CZ-ND1 3.65Å; Y105-H129 WeakPolarHBondContact OH-CA 3.27Å; Y105-H129 PolarHBondContact OH-ND1 3.39Å
106I95.3Very high92.3Very high0 Ų040.3 Ų40.30%024%0.244CC..Hα-helixtrans-66.3-42.3178.4-65-64.2000111.6L53 T56 F57 L102 F103 L109 L110 I133 A136L53-I106 HydrophobicContact CD1-CD1 4.25Å; L53-I106 HydrophobicContact CD1-CG2 3.91Å; T56-I106 HydrophobicContact CG2-CD1 4.04Å; T56-I106 HydrophobicContact CG2-CG1 4.16Å; T56-I106 HydrophobicContact CG2-CG2 4.4Å; F57-I106 HydrophobicContact CB-CG2 3.83Å; F57-I106 HydrophobicContact CD2-CG2 4.35Å; L102-I106 VanDerWaalsContact O-CG1 3.28Å; L102-I106 WeakPolarHBondContact O-CG1 3.3Å; L102-I106 PolarHBondContact O-N 3.05Å; F103-I106 PolarHBondContact O-N 3.1Å; I106-L109 PolarHBondContact O-N 2.95Å; I106-L110 PolarHBondContact O-N 3.49Å; I106-I133 HydrophobicContact CD1-CB 4.31Å; I106-I133 HydrophobicContact CD1-CG1 3.81Å; I106-A136 HydrophobicContact CD1-CB 3.89Å; I106-A136 HydrophobicContact CG1-CB 3.81Å
107A93.6Very high91.5Very high21 Ų2140.4 Ų40.417%0.17425%0.245CC..Hα-helixtrans-61.5-45.3176.900000111.5F57 F103 T104 L109 L110 V111F57-A107 HydrophobicContact CD2-CB 4.19Å; F57-A107 HydrophobicContact CE2-CB 3.8Å; F103-A107 HydrophobicContact CE1-CB 4.45Å; F103-A107 HydrophobicContact CZ-CB 4.33Å; F103-A107 VanDerWaalsContact O-CB 3.29Å; F103-A107 WeakPolarHBondContact O-CB 3.19Å; F103-A107 PolarHBondContact O-N 3Å; T104-A107 PolarHBondContact O-N 3.34Å; A107-L109 PolarHBondContact O-N 3.14Å; A107-L110 PolarHBondContact O-N 2.85Å; A107-V111 WeakPolarHBondContact O-CG2 3.32Å; A107-V111 PolarHBondContact O-N 3.39Å
108L93.6Very high90.5Very high105 Ų10538.7 Ų38.755%0.5523%0.23SC..Hα-helixtrans-61.1-44.2175.8-73.5171.8000111.7T104 Y105 L110 V111 L112T104-L108 HydrophobicContact CG2-CD1 4.02Å; T104-L108 HydrophobicContact CG2-CG 4.41Å; T104-L108 WeakPolarHBondContact O-CB 3.28Å; T104-L108 VanDerWaalsContact O-CG 3.23Å; T104-L108 WeakPolarHBondContact O-CG 3.4Å; T104-L108 PolarHBondContact O-N 3.23Å; Y105-L108 PolarHBondContact O-N 3.4Å; L108-L110 VanDerWaalsContact C-N 3.3Å; L108-L110 PolarHBondContact O-N 3.12Å; L108-V111 PolarHBondContact O-N 3.15Å; L108-L112 WeakPolarHBondContact O-CB 3.3Å; L108-L112 VanDerWaalsContact O-CG 3.26Å; L108-L112 WeakPolarHBondContact O-CG 3.45Å; L108-L112 PolarHBondContact O-N 3.03Å
109L92.4Very high89.7Confident4 Ų438.3 Ų38.32%0.02122%0.224CC..Hα-helixtrans-61.1-39.4175.1-76.1177.6000112.4Y23 L53 Y105 I106 A107 L112 A113 H129 I133Y23-L109 HydrophobicContact CD2-CD2 4.27Å; L53-L109 HydrophobicContact CD1-CB 4.01Å; L53-L109 HydrophobicContact CD2-CB 4.28Å; Y105-L109 HydrophobicContact CD1-CD1 4.24Å; Y105-L109 HydrophobicContact CE1-CD1 3.62Å; Y105-L109 HydrophobicContact CE2-CD1 4.04Å; Y105-L109 HydrophobicContact CE2-CG 4.4Å; Y105-L109 WeakPolarHBondContact O-CG 3.36Å; Y105-L109 PolarHBondContact O-N 3.15Å; I106-L109 PolarHBondContact O-N 2.95Å; A107-L109 PolarHBondContact O-N 3.14Å; L109-L112 PolarHBondContact O-N 3.11Å; L109-A113 WeakPolarHBondContact O-CB 3.49Å; L109-A113 PolarHBondContact O-N 3.32Å; L109-H129 HydrophobicContact CD1-CB 4.1Å; L109-H129 HydrophobicContact CD2-CB 4.43Å; L109-I133 HydrophobicContact CD1-CG1 4.43Å
110L91.4Very high88.5Confident31 Ų3139 Ų3916%0.16223%0.231CC..Hα-helixtrans-66.7-44.2177.7-17669000111.4F50 L53 I54 F57 I106 A107 L108 L112 A113 V114F50-L110 HydrophobicContact CE2-CD1 4.04Å; F50-L110 HydrophobicContact CZ-CD1 4.47Å; L53-L110 HydrophobicContact CD2-CB 4.32Å; L53-L110 HydrophobicContact CD2-CD1 4.23Å; L53-L110 HydrophobicContact CG-CB 4.46Å; L53-L110 HydrophobicContact CG-CD1 4.34Å; I54-L110 HydrophobicContact CG1-CD1 3.83Å; F57-L110 HydrophobicContact CB-CD2 4.19Å; F57-L110 HydrophobicContact CD1-CD2 4.01Å; F57-L110 HydrophobicContact CD2-CD2 3.85Å; F57-L110 HydrophobicContact CE1-CD2 4.37Å; F57-L110 HydrophobicContact CE2-CD2 4.21Å; F57-L110 HydrophobicContact CG-CD2 3.73Å; F57-L110 HydrophobicContact CZ-CD2 4.46Å; I106-L110 PolarHBondContact O-N 3.49Å; A107-L110 PolarHBondContact O-N 2.85Å; L108-L110 VanDerWaalsContact C-N 3.3Å; L108-L110 PolarHBondContact O-N 3.12Å; L110-L112 PolarHBondContact O-N 3.33Å; L110-A113 WeakPolarHBondContact O-CB 3.23Å; L110-A113 PolarHBondContact O-N 3.17Å; L110-V114 WeakPolarHBondContact O-CG2 3.38Å; L110-V114 PolarHBondContact O-N 3.1Å
111V88.9Confident87.4Confident87 Ų8738.1 Ų38.153%0.52722%0.221SC..Hα-helixtrans-60.1-45.8174.7171.60000110.7A107 L108 A113 V114 C115A107-V111 WeakPolarHBondContact O-CG2 3.32Å; A107-V111 PolarHBondContact O-N 3.39Å; L108-V111 PolarHBondContact O-N 3.15Å; V111-A113 VanDerWaalsContact C-N 3.3Å; V111-A113 PolarHBondContact O-N 2.84Å; V111-V114 PolarHBondContact O-N 3.3Å; V111-C115 WeakPolarHBondContact O-CB 3.49Å; V111-C115 PolarHBondContact O-N 3.05Å; V111-C115 PolarHBondContact O-SG 3.38Å
112L87.9Confident86.3Confident28 Ų2839.9 Ų39.915%0.14722%0.215CC..Hα-helixtrans-58.3-42.4175.6-71.8173.2000111.8L19 L22 Y23 L108 L109 L110 C115 L116L19-L112 HydrophobicContact CD2-CD2 3.43Å; L19-L112 VanDerWaalsContact CD2-CD2 3.43Å; L22-L112 HydrophobicContact CB-CD1 3.86Å; L22-L112 HydrophobicContact CD1-CD2 4.46Å; Y23-L112 HydrophobicContact CD2-CB 4.08Å; L108-L112 WeakPolarHBondContact O-CB 3.3Å; L108-L112 VanDerWaalsContact O-CG 3.26Å; L108-L112 WeakPolarHBondContact O-CG 3.45Å; L108-L112 PolarHBondContact O-N 3.03Å; L109-L112 PolarHBondContact O-N 3.11Å; L110-L112 PolarHBondContact O-N 3.33Å; L112-C115 PolarHBondContact O-N 2.87Å; L112-L116 WeakPolarHBondContact O-CB 3.44Å; L112-L116 VanDerWaalsContact O-CG 3.29Å; L112-L116 WeakPolarHBondContact O-CG 3.35Å; L112-L116 PolarHBondContact O-N 3.3Å
113A86.3Confident85.6Confident0 Ų038.5 Ų38.50%021%0.208CC..Hα-helixtrans-62.7-45.9176.700000112.2Y23 F50 L53 L109 L110 V111 L116 L117 L123Y23-A113 HydrophobicContact CD2-CB 4.44Å; Y23-A113 HydrophobicContact CE2-CB 3.66Å; F50-A113 HydrophobicContact CD2-CB 3.97Å; F50-A113 HydrophobicContact CE2-CB 3.62Å; L53-A113 HydrophobicContact CD2-CB 4.5Å; L109-A113 WeakPolarHBondContact O-CB 3.49Å; L109-A113 PolarHBondContact O-N 3.32Å; L110-A113 WeakPolarHBondContact O-CB 3.23Å; L110-A113 PolarHBondContact O-N 3.17Å; V111-A113 VanDerWaalsContact C-N 3.3Å; V111-A113 PolarHBondContact O-N 2.84Å; A113-L116 PolarHBondContact O-N 3.44Å; A113-L117 WeakPolarHBondContact O-CG 3.26Å; A113-L117 PolarHBondContact O-N 2.82Å; A113-L123 HydrophobicContact CB-CD2 4.01Å
114V84.8Confident84.8Confident40 Ų4042 Ų4224%0.24222%0.221CC..Hα-helixtrans-62.3-43.9177.4173.50000110.9L110 V111 L116 L117 S118 P184L110-V114 WeakPolarHBondContact O-CG2 3.38Å; L110-V114 PolarHBondContact O-N 3.1Å; V111-V114 PolarHBondContact O-N 3.3Å; V114-L116 PolarHBondContact O-N 2.04Å; V114-L117 PolarHBondContact O-N 3.24Å; V114-S118 PolarHBondContact O-N 3.44Å; V114-P184 HydrophobicContact CG1-CB 4.24Å; V114-P184 HydrophobicContact CG1-CG 4.21Å
115C83.6Confident84.3Confident39 Ų3938.5 Ų38.526%0.26420%0.199SC..Hα-helixtrans-59.5-46175.2-70.70000111.8L19 V111 L112 L117 S118 E119L19-C115 HydrophobicContact CD1-CB 3.96Å; L19-C115 HydrophobicContact CD2-CB 4.31Å; V111-C115 WeakPolarHBondContact O-CB 3.49Å; V111-C115 PolarHBondContact O-N 3.05Å; V111-C115 PolarHBondContact O-SG 3.38Å; L112-C115 PolarHBondContact O-N 2.87Å; C115-L117 PolarHBondContact O-N 3.22Å; C115-S118 PolarHBondContact O-N 3.04Å; C115-S118 PolarHBondContact O-OG 3.43Å; C115-E119 PolarHBondContact O-N 3.29Å; C115-E119 VanDerWaalsContact O-N 3.1Å
116L81Confident83.9Confident6 Ų637.5 Ų37.53%0.03120%0.197CC..Hα-helixtrans-63.4-39.5177.6-74.3169.8000112.8L19 A20 Y23 L112 A113 V114 E119 G120 Q121 L123L19-L116 HydrophobicContact CB-CD2 3.77Å; L19-L116 HydrophobicContact CB-CG 4.18Å; A20-L116 HydrophobicContact CB-CD2 4.18Å; Y23-L116 HydrophobicContact CD1-CD1 3.81Å; Y23-L116 HydrophobicContact CD2-CD1 4.47Å; Y23-L116 HydrophobicContact CG-CD1 3.73Å; L112-L116 WeakPolarHBondContact O-CB 3.44Å; L112-L116 VanDerWaalsContact O-CG 3.29Å; L112-L116 WeakPolarHBondContact O-CG 3.35Å; L112-L116 PolarHBondContact O-N 3.3Å; A113-L116 PolarHBondContact O-N 3.44Å; V114-L116 PolarHBondContact O-N 2.04Å; L116-E119 PolarHBondContact O-N 2.98Å; L116-G120 PolarHBondContact O-N 3.43Å; L116-Q121 HydrophobicContact CB-CB 4.45Å; L116-Q121 HydrophobicContact CD2-CB 4.19Å; L116-Q121 HydrophobicContact CD2-CG 4.21Å; L116-Q121 PolarHBondContact O-N 3.28Å; L116-L123 HydrophobicContact CB-CD2 4.03Å; L116-L123 HydrophobicContact CD1-CD2 4.36Å
117L78.4Confident83.5Confident42 Ų4246.8 Ų46.822%0.2223%0.232CC..Hα-helixtrans-64.4-41174.1-73.5172.4000111.6C41 F50 A113 V114 C115 E119 G120 L123C41-L117 HydrophobicContact CB-CD2 3.93Å; F50-L117 HydrophobicContact CE1-CD1 4.43Å; F50-L117 HydrophobicContact CE2-CD1 4.45Å; F50-L117 HydrophobicContact CZ-CD1 4.03Å; A113-L117 WeakPolarHBondContact O-CG 3.26Å; A113-L117 PolarHBondContact O-N 2.82Å; V114-L117 PolarHBondContact O-N 3.24Å; C115-L117 PolarHBondContact O-N 3.22Å; L117-E119 PolarHBondContact O-N 3.12Å; L117-G120 PolarHBondContact O-N 2.94Å; L117-L123 HydrophobicContact CD1-CD1 4.02Å; L117-L123 HydrophobicContact CD2-CD1 3.86Å; L117-L123 HydrophobicContact CD2-CG 3.94Å; L117-L123 HydrophobicContact CG-CD1 3.94Å; L117-L123 HydrophobicContact CG-CD2 4.24Å; L117-L123 HydrophobicContact CG-CG 4.12Å
118S76.9Confident83.3Confident26 Ų2648.4 Ų48.418%0.18224%0.242CC..Hα-helixtrans-62.6-31.2176.680.80000112.5V114 C115 G120 R191V114-S118 PolarHBondContact O-N 3.44Å; C115-S118 PolarHBondContact O-N 3.04Å; C115-S118 PolarHBondContact O-OG 3.43Å; S118-G120 VanDerWaalsContact C-N 3.32Å; S118-R191 VanDerWaalsContact O-CZ 3.3Å; S118-R191 PolarHBondContact O-NH1 2.67Å; S118-R191 PolarHBondContact O-NH2 2.85Å; S118-R191 VanDerWaalsContact O-NH2 3.1Å
119E78.8Confident83.2Confident51 Ų5144.7 Ų44.724%0.23822%0.221CC..THydrogen-bonded Turntrans-85.30.3174.5-72-65.1156.100113.7H12 V16 C115 L116 L117 Q121H12-E119 IonicContact CD2-OE1 3.35Å; H12-E119 IonicContact CD2-OE2 3.67Å; H12-E119 IonicContact CE1-OE1 3.9Å; H12-E119 VanDerWaalsContact NE2-CD 3.3Å; H12-E119 IonicContact NE2-OE1 3.83Å; H12-E119 PolarHBondContact NE2-OE1 3.47Å; H12-E119 IonicContact NE2-OE2 3.38Å; H12-E119 PolarHBondContact NE2-OE2 2.89Å; V16-E119 HydrophobicContact CG2-CG 4.14Å; C115-E119 PolarHBondContact O-N 3.29Å; C115-E119 VanDerWaalsContact O-N 3.1Å; L116-E119 PolarHBondContact O-N 2.98Å; L117-E119 PolarHBondContact O-N 3.12Å; E119-Q121 VanDerWaalsContact C-N 3.27Å; E119-Q121 HydrophobicContact CB-CG 4.34Å; E119-Q121 PolarHBondContact O-N 3.09Å
120G69.3Low83.1Confident19 Ų1947.1 Ų47.120%0.19623%0.232CC..THydrogen-bonded Turntrans68.523.9177.900000113.9A35 L116 L117 S118 R191A35-G120 PolarHBondContact N-O 3.29Å; L116-G120 PolarHBondContact O-N 3.43Å; L117-G120 PolarHBondContact O-N 2.94Å; S118-G120 VanDerWaalsContact C-N 3.32Å; G120-R191 VanDerWaalsContact N-NH1 3.19Å
121Q73.8Confident83.1Confident16 Ų1648.7 Ų48.78%0.07524%0.243CC..BIsolated β-bridgetrans-81.1147.8172.9-60.8-59.7-56.300110.1V16 L116 E119V16-Q121 HydrophobicContact CG1-CG 3.88Å; L116-Q121 HydrophobicContact CB-CB 4.45Å; L116-Q121 HydrophobicContact CD2-CB 4.19Å; L116-Q121 HydrophobicContact CD2-CG 4.21Å; L116-Q121 PolarHBondContact O-N 3.28Å; E119-Q121 VanDerWaalsContact C-N 3.27Å; E119-Q121 HydrophobicContact CB-CG 4.34Å; E119-Q121 PolarHBondContact O-N 3.09Å
122R73.7Confident83.3Confident100 Ų10045.3 Ų45.338%0.37723%0.226SC..PPolyproline II helixtrans-71.2135.2168.5-70.1-173.4178.2177.9-0.6109.6A33 A35 E39 C41 Y124A33-R122 HydrophobicContact CB-CG 4.45Å; A33-R122 WeakPolarHBondContact O-CB 3.27Å; A33-R122 PolarHBondContact O-N 3.35Å; A33-R122 VanDerWaalsContact O-N 3.08Å; A35-R122 HydrophobicContact CB-CG 4.05Å; E39-R122 IonicContact OE1-NH2 2.82Å; E39-R122 IonicContact OE2-CZ 3.38Å; E39-R122 IonicContact OE2-NH2 3.57Å; E39-R122 PolarHBondContact OE2-NH2 3.43Å; C41-R122 WeakPolarHBondContact O-CA 3.48Å; R122-Y124 PolarHBondContact O-N 3.32Å
123L80.1Confident83.6Confident6 Ų644.1 Ų44.13%0.03122%0.219CC..PPolyproline II helixtrans-71.2127.4174.6-68.3174.1000109.7Y23 C41 F50 A113 L116 L117Y23-L123 HydrophobicContact CE1-CB 4.26Å; Y23-L123 HydrophobicContact CE1-CD2 3.88Å; C41-L123 PolarHBondContact O-N 3.08Å; F50-L123 HydrophobicContact CB-CD1 4.35Å; F50-L123 HydrophobicContact CD2-CD1 3.91Å; F50-L123 HydrophobicContact CE2-CD1 4.39Å; F50-L123 HydrophobicContact CG-CD1 4.05Å; A113-L123 HydrophobicContact CB-CD2 4.01Å; L116-L123 HydrophobicContact CB-CD2 4.03Å; L116-L123 HydrophobicContact CD1-CD2 4.36Å; L117-L123 HydrophobicContact CD1-CD1 4.02Å; L117-L123 HydrophobicContact CD2-CD1 3.86Å; L117-L123 HydrophobicContact CD2-CG 3.94Å; L117-L123 HydrophobicContact CG-CD1 3.94Å; L117-L123 HydrophobicContact CG-CD2 4.24Å; L117-L123 HydrophobicContact CG-CG 4.12Å
124Y81.4Confident83.9Confident111 Ų11148.4 Ų48.444%0.43524%0.241SC..  trans-134.5103.7170.1179.1-95.9000108.4Y23 G24 Q26 R122Y23-Y124 VanDerWaalsContact CD1-O 3.25Å; Y23-Y124 WeakPolarHBondContact CD1-O 3.25Å; G24-Y124 WeakPolarHBondContact CA-O 3.39Å; Q26-Y124 HydrophobicContact CG-CD1 4.17Å; Q26-Y124 VanDerWaalsContact NE2-CD1 3.29Å; R122-Y124 PolarHBondContact O-N 3.32Å
125L84.4Confident84.4Confident0 Ų050.4 Ų50.40%025%0.253CS..  trans-89.6122.3-180-172.771.5000109.7Y23 E46 H129 K130 I133Y23-L125 HydrophobicContact CD1-CD1 4.34Å; Y23-L125 HydrophobicContact CD2-CD1 4.09Å; Y23-L125 HydrophobicContact CE1-CB 3.88Å; Y23-L125 HydrophobicContact CE1-CD1 3.9Å; Y23-L125 HydrophobicContact CE2-CD1 3.62Å; Y23-L125 HydrophobicContact CG-CD1 4.42Å; E46-L125 WeakPolarHBondContact OE2-CB 3.29Å; E46-L125 PolarHBondContact OE2-N 2.98Å; L125-H129 HydrophobicContact CD1-CB 3.56Å; L125-H129 HydrophobicContact CD2-CB 4.48Å; L125-H129 HydrophobicContact CG-CB 3.94Å; L125-K130 HydrophobicContact CD2-CG 3.6Å; L125-K130 HydrophobicContact CG-CG 4.06Å; L125-K130 VanDerWaalsContact O-CE 3.23Å; L125-K130 WeakPolarHBondContact O-CE 3.25Å; L125-K130 PolarHBondContact O-NZ 3.1Å; L125-I133 HydrophobicContact CD2-CD1 3.49Å; L125-I133 VanDerWaalsContact CD2-CD1 3.49Å
126H86.9Confident85Confident56 Ų5648.6 Ų48.626%0.25924%0.24SC..  trans-62.8149.3177.8-168.7-99.9000111.4Y23 S128 H129 K130Y23-H126 PolarHBondContact O-N 2.92Å; H126-S128 VanDerWaalsContact C-N 3.28Å; H126-S128 PolarHBondContact ND1-N 2.94Å; H126-S128 PolarHBondContact ND1-OG 3.44Å; H126-S128 PolarHBondContact O-N 3.4Å; H126-H129 PolarHBondContact O-N 2.91Å; H126-K130 PolarHBondContact O-N 3.33Å; H126-K130 VanDerWaalsContact O-N 3.15Å
127W85.6Confident85.7Confident195 Ų19549.4 Ų49.474%0.73925%0.245SC*.Hα-helixtrans-57.8-37.6-178.4157.356.3000113H129 K130 T131W127-H129 VanDerWaalsContact C-N 3.27Å; W127-H129 PolarHBondContact O-N 3.48Å; W127-K130 WeakPolarHBondContact O-CB 3.35Å; W127-K130 PolarHBondContact O-N 3.32Å; W127-K130 VanDerWaalsContact O-N 3.11Å; W127-T131 PolarHBondContact NE1-OG1 3.46Å; W127-T131 PolarHBondContact O-N 2.67Å; W127-T131 PolarHBondContact O-OG1 3.22Å
128S89.4Confident86.5Confident54 Ų5451.2 Ų51.238%0.37826%0.257SS..Hα-helixtrans-56.8-40.9175.558.10000112.4H126 T131 G132H126-S128 VanDerWaalsContact C-N 3.28Å; H126-S128 PolarHBondContact ND1-N 2.94Å; H126-S128 PolarHBondContact ND1-OG 3.44Å; H126-S128 PolarHBondContact O-N 3.4Å; S128-T131 WeakPolarHBondContact O-CB 3.44Å; S128-T131 PolarHBondContact O-N 3.04Å; S128-G132 PolarHBondContact O-N 2.74Å
129H91.7Very high87.4Confident27 Ų2752.2 Ų52.213%0.12526%0.259CS..Hα-helixtrans-71.4-36.4177.4-62-56.8000112L22 Y23 Y105 L109 L125 H126 W127 T131 G132 I133L22-H129 PolarHBondContact O-NE2 3.22Å; L22-H129 VanDerWaalsContact O-NE2 3.11Å; Y23-H129 PolarHBondContact O-CD2 3.42Å; Y23-H129 VanDerWaalsContact O-CD2 3.26Å; Y105-H129 AromaticContact CE2-ND1 3.84Å; Y105-H129 AromaticContact CZ-ND1 3.65Å; Y105-H129 WeakPolarHBondContact OH-CA 3.27Å; Y105-H129 PolarHBondContact OH-ND1 3.39Å; L109-H129 HydrophobicContact CD1-CB 4.1Å; L109-H129 HydrophobicContact CD2-CB 4.43Å; L125-H129 HydrophobicContact CD1-CB 3.56Å; L125-H129 HydrophobicContact CD2-CB 4.48Å; L125-H129 HydrophobicContact CG-CB 3.94Å; H126-H129 PolarHBondContact O-N 2.91Å; W127-H129 VanDerWaalsContact C-N 3.27Å; W127-H129 PolarHBondContact O-N 3.48Å; H129-T131 VanDerWaalsContact C-N 3.29Å; H129-T131 PolarHBondContact O-N 2.9Å; H129-G132 PolarHBondContact O-N 3.3Å; H129-G132 VanDerWaalsContact O-N 3.15Å; H129-I133 VanDerWaalsContact O-CG1 3.28Å; H129-I133 WeakPolarHBondContact O-CG1 3.31Å; H129-I133 PolarHBondContact O-N 2.98Å
130K90.8Very high88.1Confident56 Ų5650 Ų5024%0.24325%0.248CC..Hα-helixtrans-57.4-44.5171.3-66.9175.6-180169.80111.2E46 S49 L125 H126 W127 I133 M134E46-K130 IonicContact OE1-NZ 3.37Å; E46-K130 PolarHBondContact OE1-NZ 3.05Å; S49-K130 WeakPolarHBondContact OG-CE 3.34Å; L125-K130 HydrophobicContact CD2-CG 3.6Å; L125-K130 HydrophobicContact CG-CG 4.06Å; L125-K130 VanDerWaalsContact O-CE 3.23Å; L125-K130 WeakPolarHBondContact O-CE 3.25Å; L125-K130 PolarHBondContact O-NZ 3.1Å; H126-K130 PolarHBondContact O-N 3.33Å; H126-K130 VanDerWaalsContact O-N 3.15Å; W127-K130 WeakPolarHBondContact O-CB 3.35Å; W127-K130 PolarHBondContact O-N 3.32Å; W127-K130 VanDerWaalsContact O-N 3.11Å; K130-I133 PolarHBondContact O-N 3.37Å; K130-M134 WeakPolarHBondContact O-CG 3.31Å; K130-M134 PolarHBondContact O-N 2.91Å; K130-M134 VanDerWaalsContact O-N 3.1Å
131T91.1Very high89.3Confident63 Ų6352.9 Ų52.939%0.38726%0.262SS..Hα-helixtrans-62-46.3173.8-54.50000111.3W127 S128 H129 I133 M134 V135W127-T131 PolarHBondContact NE1-OG1 3.46Å; W127-T131 PolarHBondContact O-N 2.67Å; W127-T131 PolarHBondContact O-OG1 3.22Å; S128-T131 WeakPolarHBondContact O-CB 3.44Å; S128-T131 PolarHBondContact O-N 3.04Å; H129-T131 VanDerWaalsContact C-N 3.29Å; H129-T131 PolarHBondContact O-N 2.9Å; T131-I133 VanDerWaalsContact C-N 3.33Å; T131-I133 PolarHBondContact O-N 2.68Å; T131-M134 WeakPolarHBondContact O-CB 3.41Å; T131-M134 PolarHBondContact O-N 2.96Å; T131-M134 VanDerWaalsContact O-N 3.14Å; T131-V135 WeakPolarHBondContact O-CG2 3.45Å; T131-V135 PolarHBondContact O-N 3.09Å
132G92.6Very high90.3Very high17 Ų1755.5 Ų55.518%0.17528%0.279CS..Hα-helixtrans-59.6-39.3177.500000113.6S128 H129 V135 A136S128-G132 PolarHBondContact O-N 2.74Å; H129-G132 PolarHBondContact O-N 3.3Å; H129-G132 VanDerWaalsContact O-N 3.15Å; G132-V135 PolarHBondContact O-N 2.95Å; G132-A136 WeakPolarHBondContact O-CB 3.42Å; G132-A136 PolarHBondContact O-N 3.02Å
133I94.1Very high91.1Very high2 Ų251.4 Ų51.41%0.0127%0.267CS..Hα-helixtrans-63.3-43.5174.4-66.1164.6000110.8L52 L53 T56 I106 L109 L125 H129 K130 T131 A136 L137L52-I133 HydrophobicContact CD2-CG2 3.9Å; L52-I133 HydrophobicContact CG-CG2 3.89Å; L53-I133 HydrophobicContact CB-CD1 4.06Å; L53-I133 HydrophobicContact CD1-CD1 3.75Å; L53-I133 HydrophobicContact CD1-CG1 3.87Å; L53-I133 HydrophobicContact CG-CD1 4.42Å; T56-I133 HydrophobicContact CG2-CG2 4.36Å; I106-I133 HydrophobicContact CD1-CB 4.31Å; I106-I133 HydrophobicContact CD1-CG1 3.81Å; L109-I133 HydrophobicContact CD1-CG1 4.43Å; L125-I133 HydrophobicContact CD2-CD1 3.49Å; L125-I133 VanDerWaalsContact CD2-CD1 3.49Å; H129-I133 VanDerWaalsContact O-CG1 3.28Å; H129-I133 WeakPolarHBondContact O-CG1 3.31Å; H129-I133 PolarHBondContact O-N 2.98Å; K130-I133 PolarHBondContact O-N 3.37Å; T131-I133 VanDerWaalsContact C-N 3.33Å; T131-I133 PolarHBondContact O-N 2.68Å; I133-A136 PolarHBondContact O-N 3.44Å; I133-L137 VanDerWaalsContact O-CB 3.28Å; I133-L137 WeakPolarHBondContact O-CB 3.38Å; I133-L137 PolarHBondContact O-N 3.08Å
134M94.4Very high91.6Very high91 Ų9153 Ų5345%0.44828%0.277SS..Hα-helixtrans-63.5-41.7176.8-71.2-57.5-56.300112L52 K130 T131 L137 V138L52-M134 HydrophobicContact CD2-SD 3.64Å; K130-M134 WeakPolarHBondContact O-CG 3.31Å; K130-M134 PolarHBondContact O-N 2.91Å; K130-M134 VanDerWaalsContact O-N 3.1Å; T131-M134 WeakPolarHBondContact O-CB 3.41Å; T131-M134 PolarHBondContact O-N 2.96Å; T131-M134 VanDerWaalsContact O-N 3.14Å; M134-L137 PolarHBondContact O-N 3.03Å; M134-V138 WeakPolarHBondContact O-CB 3.5Å; M134-V138 VanDerWaalsContact O-CG2 3.27Å; M134-V138 WeakPolarHBondContact O-CG2 3.43Å; M134-V138 PolarHBondContact O-N 2.94Å
135V94.9Very high92Very high82 Ų8249.7 Ų49.750%0.49728%0.277SS..Hα-helixtrans-61.5-49.2176.1171.10000110.7T131 G132 L137 V138 F139T131-V135 WeakPolarHBondContact O-CG2 3.45Å; T131-V135 PolarHBondContact O-N 3.09Å; G132-V135 PolarHBondContact O-N 2.95Å; V135-L137 VanDerWaalsContact C-N 3.3Å; V135-L137 PolarHBondContact O-N 3.4Å; V135-V138 PolarHBondContact O-N 3.49Å; V135-F139 VanDerWaalsContact O-CB 3.28Å; V135-F139 WeakPolarHBondContact O-CB 3.06Å; V135-F139 PolarHBondContact O-N 2.62Å
136A94.9Very high92.2Very high0 Ų054.1 Ų54.10%030%0.299CS..Hα-helixtrans-62-38.6178.600000112.3T56 L102 I106 G132 I133 S140T56-A136 HydrophobicContact CG2-CB 3.9Å; L102-A136 HydrophobicContact CB-CB 4.37Å; L102-A136 HydrophobicContact CD2-CB 4.28Å; I106-A136 HydrophobicContact CD1-CB 3.89Å; I106-A136 HydrophobicContact CG1-CB 3.81Å; G132-A136 WeakPolarHBondContact O-CB 3.42Å; G132-A136 PolarHBondContact O-N 3.02Å; I133-A136 PolarHBondContact O-N 3.44Å; A136-S140 WeakPolarHBondContact O-CB 3.49Å; A136-S140 PolarHBondContact O-N 3.42Å; A136-S140 PolarHBondContact O-OG 3.49Å
137L95.3Very high92.2Very high24 Ų2451.8 Ų51.813%0.12629%0.289CS..Hα-helixtrans-65.6-51.9176.9-179.462.2000111.7L52 T56 L59 I133 M134 V135 F139 S140 V141L52-L137 HydrophobicContact CD1-CD2 3.66Å; T56-L137 HydrophobicContact CG2-CB 4.07Å; L59-L137 HydrophobicContact CD1-CD1 3.56Å; I133-L137 VanDerWaalsContact O-CB 3.28Å; I133-L137 WeakPolarHBondContact O-CB 3.38Å; I133-L137 PolarHBondContact O-N 3.08Å; M134-L137 PolarHBondContact O-N 3.03Å; V135-L137 VanDerWaalsContact C-N 3.3Å; V135-L137 PolarHBondContact O-N 3.4Å; L137-F139 VanDerWaalsContact C-N 3.29Å; L137-F139 PolarHBondContact O-N 3.25Å; L137-S140 PolarHBondContact O-N 3.32Å; L137-V141 HydrophobicContact CD1-CG2 4.03Å; L137-V141 HydrophobicContact CG-CG2 4.46Å; L137-V141 WeakPolarHBondContact O-CB 3.37Å; L137-V141 WeakPolarHBondContact O-CG2 3.4Å; L137-V141 PolarHBondContact O-N 3.33Å
138V96.1Very high92.3Very high80 Ų8044.6 Ų44.649%0.48527%0.268SS..Hα-helixtrans-60.2-43.6179.4169.90000110.2M134 V135 T142M134-V138 WeakPolarHBondContact O-CB 3.5Å; M134-V138 VanDerWaalsContact O-CG2 3.27Å; M134-V138 WeakPolarHBondContact O-CG2 3.43Å; M134-V138 PolarHBondContact O-N 2.94Å; V135-V138 PolarHBondContact O-N 3.49Å; V138-T142 WeakPolarHBondContact O-CB 3.19Å; V138-T142 PolarHBondContact O-N 2.05Å; V138-T142 PolarHBondContact O-OG1 3.11Å
139F95.4Very high92.1Very high47 Ų4748.5 Ų48.521%0.20629%0.285CS..Hα-helixtrans-57.6-53.3174.6173-94.6000111.4F63 L95 V98 A99 L102 V135 L137 V141 T142 A143F63-F139 HydrophobicContact CD1-CE1 4.22Å; F63-F139 AromaticContact CE1-CE1 3.73Å; F63-F139 HydrophobicContact CE1-CE1 3.73Å; F63-F139 HydrophobicContact CE1-CZ 4.15Å; F63-F139 HydrophobicContact CZ-CE1 4.46Å; L95-F139 HydrophobicContact CD1-CE2 3.99Å; L95-F139 HydrophobicContact CD1-CZ 3.61Å; V98-F139 HydrophobicContact CB-CZ 4.47Å; V98-F139 HydrophobicContact CG1-CD2 4.48Å; V98-F139 HydrophobicContact CG1-CE1 4.44Å; V98-F139 HydrophobicContact CG1-CE2 3.86Å; V98-F139 HydrophobicContact CG1-CZ 3.83Å; A99-F139 HydrophobicContact CB-CE1 4.21Å; L102-F139 HydrophobicContact CD1-CB 4.04Å; L102-F139 HydrophobicContact CD1-CD1 3.45Å; L102-F139 VanDerWaalsContact CD1-CD1 3.45Å; L102-F139 HydrophobicContact CD1-CD2 4.32Å; L102-F139 HydrophobicContact CD1-CE1 3.91Å; L102-F139 HydrophobicContact CD1-CG 3.67Å; V135-F139 VanDerWaalsContact O-CB 3.28Å; V135-F139 WeakPolarHBondContact O-CB 3.06Å; V135-F139 PolarHBondContact O-N 2.62Å; L137-F139 VanDerWaalsContact C-N 3.29Å; L137-F139 PolarHBondContact O-N 3.25Å; F139-V141 PolarHBondContact O-N 3.21Å; F139-T142 PolarHBondContact O-N 2.79Å; F139-A143 WeakPolarHBondContact O-CB 3.38Å; F139-A143 PolarHBondContact O-N 3.42Å
140S94.7Very high91.7Very high3 Ų351.2 Ų51.22%0.02130%0.3CS..Hα-helixtrans-61.8-44.2-177-56.90000111.9S60 A136 L137 T144S60-S140 PolarHBondContact OG-OG 2.77Å; A136-S140 WeakPolarHBondContact O-CB 3.49Å; A136-S140 PolarHBondContact O-N 3.42Å; A136-S140 PolarHBondContact O-OG 3.49Å; L137-S140 PolarHBondContact O-N 3.32Å; S140-T144 WeakPolarHBondContact O-CB 3.21Å; S140-T144 PolarHBondContact O-N 3.02Å; S140-T144 PolarHBondContact O-OG1 3.39Å
141V94.4Very high91.1Very high81 Ų8151.5 Ų51.549%0.49130%0.299SS..Hα-helixtrans-66.1-45.9178.6172.10000111.1L59 L137 F139 G145L59-V141 HydrophobicContact CD1-CG2 4.28Å; L137-V141 HydrophobicContact CD1-CG2 4.03Å; L137-V141 HydrophobicContact CG-CG2 4.46Å; L137-V141 WeakPolarHBondContact O-CB 3.37Å; L137-V141 WeakPolarHBondContact O-CG2 3.4Å; L137-V141 PolarHBondContact O-N 3.33Å; F139-V141 PolarHBondContact O-N 3.21Å; V141-G145 PolarHBondContact O-N 3.3Å
142T93.8Very high90.6Very high71 Ų7152 Ų5244%0.43631%0.306SS..Hα-helixtrans-69-46.2-177.5-530000111.1V138 F139 T144 G145 I146V138-T142 WeakPolarHBondContact O-CB 3.19Å; V138-T142 PolarHBondContact O-N 2.05Å; V138-T142 PolarHBondContact O-OG1 3.11Å; F139-T142 PolarHBondContact O-N 2.79Å; T142-T144 VanDerWaalsContact C-N 3.35Å; T142-T144 PolarHBondContact O-N 2.92Å; T142-G145 PolarHBondContact O-N 3.47Å; T142-I146 HydrophobicContact CG2-CD1 3.85Å; T142-I146 HydrophobicContact CG2-CG1 4.42Å; T142-I146 WeakPolarHBondContact O-CG1 2.92Å; T142-I146 PolarHBondContact O-N 2.87Å
143A91.4Very high89.6Confident14 Ų1458.2 Ų58.212%0.11633%0.328CS..Hα-helixtrans-62.3-43.117800000111.2F63 F139 G145 I146 L147F63-A143 HydrophobicContact CD2-CB 4.31Å; F63-A143 HydrophobicContact CE1-CB 4.31Å; F63-A143 HydrophobicContact CE2-CB 3.48Å; F63-A143 VanDerWaalsContact CE2-CB 3.48Å; F63-A143 HydrophobicContact CZ-CB 3.49Å; F63-A143 VanDerWaalsContact CZ-CB 3.49Å; F139-A143 WeakPolarHBondContact O-CB 3.38Å; F139-A143 PolarHBondContact O-N 3.42Å; A143-G145 VanDerWaalsContact C-N 3.34Å; A143-G145 PolarHBondContact O-N 3.31Å; A143-I146 PolarHBondContact O-N 3.33Å; A143-L147 WeakPolarHBondContact O-CB 3.35Å; A143-L147 VanDerWaalsContact O-CG 3.31Å; A143-L147 WeakPolarHBondContact O-CG 3.35Å; A143-L147 PolarHBondContact O-N 3.37Å
144T90.5Very high88.7Confident40 Ų4058.7 Ų58.725%0.24533%0.33CS..Hα-helixtrans-61.4-42.8173.9-56.50000111.5F63 S140 T142 S148 W155F63-T144 WeakPolarHBondContact CD2-OG1 3.4Å; S140-T144 WeakPolarHBondContact O-CB 3.21Å; S140-T144 PolarHBondContact O-N 3.02Å; S140-T144 PolarHBondContact O-OG1 3.39Å; T142-T144 VanDerWaalsContact C-N 3.35Å; T142-T144 PolarHBondContact O-N 2.92Å; T144-S148 VanDerWaalsContact O-CB 3.3Å; T144-S148 WeakPolarHBondContact O-CB 3.36Å; T144-S148 PolarHBondContact O-N 3.43Å; T144-S148 PolarHBondContact O-OG 3.17Å; T144-W155 HydrophobicContact CG2-CH2 3.72Å; T144-W155 HydrophobicContact CG2-CZ2 3.68Å
145G89.9Confident87.8Confident41 Ų4157.9 Ų57.942%0.42332%0.322SS..Hα-helixtrans-62.1-48177.800000112.8V141 T142 A143 S148 D149V141-G145 PolarHBondContact O-N 3.3Å; T142-G145 PolarHBondContact O-N 3.47Å; A143-G145 VanDerWaalsContact C-N 3.34Å; A143-G145 PolarHBondContact O-N 3.31Å; G145-S148 PolarHBondContact O-N 3.25Å; G145-D149 PolarHBondContact O-N 3.03Å; G145-D149 VanDerWaalsContact O-N 3.14Å
146I88.8Confident87Confident92 Ų9259 Ų5947%0.47232%0.32SS..Hα-helixtrans-62.7-47.2178.6-68.1169.6000110.9T142 A143 S148 D149 L150T142-I146 HydrophobicContact CG2-CD1 3.85Å; T142-I146 HydrophobicContact CG2-CG1 4.42Å; T142-I146 WeakPolarHBondContact O-CG1 2.92Å; T142-I146 PolarHBondContact O-N 2.87Å; A143-I146 PolarHBondContact O-N 3.33Å; I146-S148 VanDerWaalsContact C-N 3.27Å; I146-S148 PolarHBondContact O-N 3.12Å; I146-D149 PolarHBondContact O-N 2.81Å; I146-L150 HydrophobicContact CG2-CD1 3.66Å; I146-L150 HydrophobicContact CG2-CG 4.37Å; I146-L150 PolarHBondContact O-N 3.41Å
147L86.3Confident86.1Confident8 Ų859.1 Ų59.14%0.04232%0.321CS..Hα-helixtrans-66-31.6178.6-69.3176.8000112.1F63 F66 W67 F77 A143 D149 W151F63-L147 HydrophobicContact CE2-CD1 3.71Å; F63-L147 HydrophobicContact CZ-CD1 4.24Å; F66-L147 HydrophobicContact CD1-CD1 4.41Å; F66-L147 HydrophobicContact CE1-CB 4.46Å; F66-L147 HydrophobicContact CE1-CD1 3.87Å; W67-L147 HydrophobicContact CE3-CD1 3.6Å; W67-L147 HydrophobicContact CH2-CD2 4.43Å; W67-L147 HydrophobicContact CZ3-CD1 3.66Å; W67-L147 HydrophobicContact CZ3-CD2 3.78Å; W67-L147 HydrophobicContact CZ3-CG 4.41Å; F77-L147 HydrophobicContact CE2-CD2 4.15Å; A143-L147 WeakPolarHBondContact O-CB 3.35Å; A143-L147 VanDerWaalsContact O-CG 3.31Å; A143-L147 WeakPolarHBondContact O-CG 3.35Å; A143-L147 PolarHBondContact O-N 3.37Å; L147-D149 VanDerWaalsContact C-N 3.33Å; L147-W151 CarbonylContact O-C 3.55Å; L147-W151 VanDerWaalsContact O-C 3.24Å; L147-W151 WeakPolarHBondContact O-CA 3.45Å; L147-W151 WeakPolarHBondContact O-CB 3.14Å; L147-W151 PolarHBondContact O-N 3.29Å
148S86.8Confident85.1Confident43 Ų4358.8 Ų58.830%0.30132%0.319SS..Hα-helixtrans-67.5-34.5175.5-60.40000112.8T144 G145 I146 S152 W155T144-S148 VanDerWaalsContact O-CB 3.3Å; T144-S148 WeakPolarHBondContact O-CB 3.36Å; T144-S148 PolarHBondContact O-N 3.43Å; T144-S148 PolarHBondContact O-OG 3.17Å; G145-S148 PolarHBondContact O-N 3.25Å; I146-S148 VanDerWaalsContact C-N 3.27Å; I146-S148 PolarHBondContact O-N 3.12Å; S148-S152 WeakPolarHBondContact O-CA 3.12Å; S148-S152 WeakPolarHBondContact O-CB 3.46Å; S148-S152 PolarHBondContact O-N 2.95Å; S148-W155 VanDerWaalsContact OG-CZ2 3.26Å; S148-W155 WeakPolarHBondContact OG-CZ2 3.42Å; S148-W155 PolarHBondContact OG-NE1 2.95Å; S148-W155 VanDerWaalsContact OG-NE1 3.11Å
149D86.3Confident84.2Confident136 Ų13659.9 Ų59.973%0.72732%0.319SS*.Hα-helixtrans-77.7-48.6179-166.151.4000111.3G145 I146 L147G145-D149 PolarHBondContact O-N 3.03Å; G145-D149 VanDerWaalsContact O-N 3.14Å; I146-D149 PolarHBondContact O-N 2.81Å; L147-D149 VanDerWaalsContact C-N 3.33Å
150L82.3Confident83.2Confident85 Ų8558.1 Ų58.145%0.44531%0.311SS..Hα-helixtrans-76.6-34.7-177.1-64.7176.3000113F80 I146F80-L150 HydrophobicContact CE1-CD1 4.09Å; F80-L150 HydrophobicContact CZ-CD1 4.33Å; F80-L150 HydrophobicContact CZ-CD2 4.21Å; I146-L150 HydrophobicContact CG2-CD1 3.66Å; I146-L150 HydrophobicContact CG2-CG 4.37Å; I146-L150 PolarHBondContact O-N 3.41Å
151W80Confident82.3Confident61 Ų6158 Ų5823%0.23131%0.31CS..  trans-132.746.1-167.5-117.7-91.7000112.1D76 F80 L147 K153 E154D76-W151 HydrophobicContact CB-CZ2 4.09Å; F80-W151 HydrophobicContact CB-CH2 4.06Å; F80-W151 HydrophobicContact CB-CZ3 4.2Å; F80-W151 HydrophobicContact CD1-CZ3 4.44Å; F80-W151 HydrophobicContact CD2-CH2 4.45Å; F80-W151 HydrophobicContact CD2-CZ3 4.09Å; F80-W151 HydrophobicContact CG-CH2 4.31Å; F80-W151 AromaticContact CG-CZ3 3.98Å; F80-W151 HydrophobicContact CG-CZ3 3.98Å; L147-W151 CarbonylContact O-C 3.55Å; L147-W151 VanDerWaalsContact O-C 3.24Å; L147-W151 WeakPolarHBondContact O-CA 3.45Å; L147-W151 WeakPolarHBondContact O-CB 3.14Å; L147-W151 PolarHBondContact O-N 3.29Å; W151-K153 PolarHBondContact O-N 2.98Å; W151-K153 VanDerWaalsContact O-N 3.1Å; W151-E154 PolarHBondContact NE1-OE1 3.41Å; W151-E154 WeakPolarHBondContact O-CA 2.92Å; W151-E154 PolarHBondContact O-N 3.14Å
152S79.1Confident81.2Confident75 Ų7557.2 Ų57.252%0.52430%0.303SS..THydrogen-bonded Turntrans-56.7-28.4-178.959.60000114.5S148 W155S148-S152 WeakPolarHBondContact O-CA 3.12Å; S148-S152 WeakPolarHBondContact O-CB 3.46Å; S148-S152 PolarHBondContact O-N 2.95Å; S152-W155 PolarHBondContact O-N 3.33Å
153K71.7Confident79.8Confident147 Ų14758.4 Ų58.464%0.63930%0.304SS*.THydrogen-bonded Turntrans-67.2-37.9177.6-63.7178.2-175.9173.60111.7W151 W155 K156W151-K153 PolarHBondContact O-N 2.98Å; W151-K153 VanDerWaalsContact O-N 3.1Å; K153-W155 PolarHBondContact O-N 3.04Å; K153-K156 WeakPolarHBondContact O-CB 3.47Å; K153-K156 PolarHBondContact O-N 3.01Å
154E76.6Confident78.6Confident11 Ų1159 Ų595%0.05130%0.304CS..Hα-helixtrans-8-61.9150.9-52.726.983.400118.4F66 D73 W151 K156 T157 L158 Y438F66-E154 HydrophobicContact CE2-CB 4.37Å; F66-E154 HydrophobicContact CZ-CB 4.09Å; D73-E154 VanDerWaalsContact OD2-CG 3.26Å; D73-E154 WeakPolarHBondContact OD2-CG 3.45Å; W151-E154 PolarHBondContact NE1-OE1 3.41Å; W151-E154 WeakPolarHBondContact O-CA 2.92Å; W151-E154 PolarHBondContact O-N 3.14Å; E154-K156 PolarHBondContact O-N 3.27Å; E154-T157 WeakPolarHBondContact O-CA 3.18Å; E154-T157 WeakPolarHBondContact O-CB 3.36Å; E154-T157 PolarHBondContact O-N 2.93Å; E154-T157 PolarHBondContact OE2-OG1 2.83Å; E154-L158 PolarHBondContact O-N 2.88Å; E154-Y438 PolarHBondContact OE2-OH 2.52Å; E154-Y438 VanDerWaalsContact OE2-OH 3.1Å
155W75.8Confident77.6Confident75 Ų7557.8 Ų57.828%0.28430%0.297SS..Hα-helixtrans-67.2-22.3-169.4-71.5104.6000112.7F66 T144 S148 S152 K153 T157 L158 Q159F66-W155 HydrophobicContact CD2-CE3 4.19Å; F66-W155 HydrophobicContact CD2-CZ3 4.17Å; F66-W155 HydrophobicContact CE2-CD2 4.27Å; F66-W155 HydrophobicContact CE2-CE3 4.21Å; T144-W155 HydrophobicContact CG2-CH2 3.72Å; T144-W155 HydrophobicContact CG2-CZ2 3.68Å; S148-W155 VanDerWaalsContact OG-CZ2 3.26Å; S148-W155 WeakPolarHBondContact OG-CZ2 3.42Å; S148-W155 PolarHBondContact OG-NE1 2.95Å; S148-W155 VanDerWaalsContact OG-NE1 3.11Å; S152-W155 PolarHBondContact O-N 3.33Å; K153-W155 PolarHBondContact O-N 3.04Å; W155-T157 VanDerWaalsContact C-N 3.33Å; W155-L158 HydrophobicContact CE3-CD2 3.61Å; W155-L158 HydrophobicContact CZ3-CD2 3.57Å; W155-L158 WeakPolarHBondContact O-CB 3.21Å; W155-L158 PolarHBondContact O-N 2.93Å; W155-Q159 PolarHBondContact O-N 3.35Å; W155-Q159 VanDerWaalsContact O-N 3.08Å
156K78Confident76.9Confident106 Ų10657.1 Ų57.146%0.46129%0.285SS..Hα-helixtrans-70.2-33.7172.4-68.4-177.1179.3178.40111.3K153 E154 L158 Q159 L160K153-K156 WeakPolarHBondContact O-CB 3.47Å; K153-K156 PolarHBondContact O-N 3.01Å; E154-K156 PolarHBondContact O-N 3.27Å; K156-L158 VanDerWaalsContact C-N 3.29Å; K156-L158 PolarHBondContact O-N 3.14Å; K156-Q159 WeakPolarHBondContact O-CB 3.41Å; K156-Q159 PolarHBondContact O-N 2.63Å; K156-Q159 VanDerWaalsContact O-N 3.13Å; K156-L160 VanDerWaalsContact O-CG 3.31Å; K156-L160 WeakPolarHBondContact O-CG 3.34Å; K156-L160 PolarHBondContact O-N 3.5Å
157T75.3Confident76.4Confident2 Ų253.1 Ų53.11%0.01227%0.266CS..Hα-helixtrans-63.2-40174.7-52.50000110.6E154 W155 Q159 L160 S161 Y438 W465E154-T157 WeakPolarHBondContact O-CA 3.18Å; E154-T157 WeakPolarHBondContact O-CB 3.36Å; E154-T157 PolarHBondContact O-N 2.93Å; E154-T157 PolarHBondContact OE2-OG1 2.83Å; W155-T157 VanDerWaalsContact C-N 3.33Å; T157-Q159 PolarHBondContact O-N 2.82Å; T157-L160 PolarHBondContact O-N 2.9Å; T157-S161 PolarHBondContact O-N 2.91Å; T157-Y438 HydrophobicContact CG2-CE2 3.88Å; T157-Y438 WeakPolarHBondContact OG1-CE2 3.33Å; T157-Y438 PolarHBondContact OG1-OH 2.64Å; T157-Y438 VanDerWaalsContact OG1-OH 3.12Å; T157-W465 HydrophobicContact CG2-CH2 4.16Å; T157-W465 HydrophobicContact CG2-CZ2 4.49Å
158L74.4Confident76.3Confident17 Ų1752.9 Ų52.99%0.08926%0.264CS..Hα-helixtrans-59.8-46.6170.2-171.965.8000112.2Y65 F66 E154 W155 K156 L160 S161 L162Y65-L158 HydrophobicContact CD1-CD1 3.63Å; Y65-L158 HydrophobicContact CE1-CD1 3.51Å; F66-L158 HydrophobicContact CB-CD1 4.06Å; F66-L158 HydrophobicContact CD2-CB 3.89Å; F66-L158 HydrophobicContact CD2-CD1 4.07Å; F66-L158 HydrophobicContact CD2-CD2 4.06Å; F66-L158 HydrophobicContact CD2-CG 4.22Å; F66-L158 HydrophobicContact CE2-CB 4.34Å; E154-L158 PolarHBondContact O-N 2.88Å; W155-L158 HydrophobicContact CE3-CD2 3.61Å; W155-L158 HydrophobicContact CZ3-CD2 3.57Å; W155-L158 WeakPolarHBondContact O-CB 3.21Å; W155-L158 PolarHBondContact O-N 2.93Å; K156-L158 VanDerWaalsContact C-N 3.29Å; K156-L158 PolarHBondContact O-N 3.14Å; L158-L160 VanDerWaalsContact C-N 3.32Å; L158-L160 PolarHBondContact O-N 3.34Å; L158-S161 PolarHBondContact O-N 3.34Å; L158-L162 HydrophobicContact CD1-CD1 4.01Å; L158-L162 HydrophobicContact CD1-CG 4.1Å; L158-L162 HydrophobicContact CD2-CD1 4.11Å; L158-L162 HydrophobicContact CG-CD1 3.7Å; L158-L162 HydrophobicContact CG-CG 4.15Å; L158-L162 VanDerWaalsContact O-CB 3.25Å; L158-L162 WeakPolarHBondContact O-CB 3.33Å; L158-L162 WeakPolarHBondContact O-CG 3.25Å; L158-L162 PolarHBondContact O-N 3.48Å
159Q75.9Confident76.3Confident102 Ų10256 Ų5648%0.47727%0.272SS..Hα-helixtrans-62.4-41.7179.3-171.4-178-12.600111.4W155 K156 T157 Q163W155-Q159 PolarHBondContact O-N 3.35Å; W155-Q159 VanDerWaalsContact O-N 3.08Å; K156-Q159 WeakPolarHBondContact O-CB 3.41Å; K156-Q159 PolarHBondContact O-N 2.63Å; K156-Q159 VanDerWaalsContact O-N 3.13Å; T157-Q159 PolarHBondContact O-N 2.82Å; Q159-Q163 HydrophobicContact CG-CG 4.14Å; Q159-Q163 VanDerWaalsContact CG-OE1 3.3Å; Q159-Q163 WeakPolarHBondContact O-CB 3.42Å; Q159-Q163 WeakPolarHBondContact O-CG 3.24Å; Q159-Q163 PolarHBondContact O-N 3.2Å
160L75.4Confident76.2Confident10 Ų1052.2 Ų52.25%0.05225%0.252CS..Hα-helixtrans-61-49.4175.2-70.4171.2000111K156 T157 L158 Q164 M441 L469K156-L160 VanDerWaalsContact O-CG 3.31Å; K156-L160 WeakPolarHBondContact O-CG 3.34Å; K156-L160 PolarHBondContact O-N 3.5Å; T157-L160 PolarHBondContact O-N 2.9Å; L158-L160 VanDerWaalsContact C-N 3.32Å; L158-L160 PolarHBondContact O-N 3.34Å; L160-Q164 WeakPolarHBondContact O-CA 3.42Å; L160-Q164 WeakPolarHBondContact O-CB 3.14Å; L160-Q164 WeakPolarHBondContact O-CG 3.42Å; L160-Q164 PolarHBondContact O-N 3.24Å; L160-M441 HydrophobicContact CD1-CE 4.33Å; L160-L469 HydrophobicContact CB-CD2 4.22Å
161S76.3Confident76.5Confident0 Ų048.6 Ų48.60%023%0.233CC..Hα-helixtrans-63.5-53.3178.9-176.50000111.9Y65 E69 T157 L158 Q163 V165 T166Y65-S161 PolarHBondContact OH-OG 3.2Å; E69-S161 WeakPolarHBondContact OE2-CB 3.16Å; E69-S161 PolarHBondContact OE2-OG 3.48Å; T157-S161 PolarHBondContact O-N 2.91Å; L158-S161 PolarHBondContact O-N 3.34Å; S161-Q163 PolarHBondContact O-N 3.49Å; S161-V165 PolarHBondContact O-N 3.38Å; S161-V165 VanDerWaalsContact O-N 3.08Å; S161-T166 PolarHBondContact O-N 2.96Å; S161-T166 PolarHBondContact O-OG1 2.96Å; S161-T166 VanDerWaalsContact O-OG1 3.04Å
162L71.2Confident77Confident66 Ų6647.6 Ų47.635%0.34623%0.233SC..Hα-helixtrans-61.1-40.9-177.8-79.8177.4000113.5Y65 L158 A167 L170Y65-L162 HydrophobicContact CD1-CD2 4.01Å; Y65-L162 HydrophobicContact CD1-CG 4.49Å; Y65-L162 HydrophobicContact CE1-CD1 4.42Å; Y65-L162 HydrophobicContact CE1-CD2 3.23Å; Y65-L162 HydrophobicContact CE1-CG 3.59Å; L158-L162 HydrophobicContact CD1-CD1 4.01Å; L158-L162 HydrophobicContact CD1-CG 4.1Å; L158-L162 HydrophobicContact CD2-CD1 4.11Å; L158-L162 HydrophobicContact CG-CD1 3.7Å; L158-L162 HydrophobicContact CG-CG 4.15Å; L158-L162 VanDerWaalsContact O-CB 3.25Å; L158-L162 WeakPolarHBondContact O-CB 3.33Å; L158-L162 WeakPolarHBondContact O-CG 3.25Å; L158-L162 PolarHBondContact O-N 3.48Å; L162-A167 WeakPolarHBondContact O-CA 3.16Å; L162-A167 WeakPolarHBondContact O-CB 3.46Å; L162-L170 HydrophobicContact CD2-CD1 3.72Å
163Q63.5Low77.5Confident96 Ų9646.7 Ų46.745%0.44923%0.231SC..Hα-helixtrans-88.2-30-175-65.3-172.8-29.800112Q159 S161Q159-Q163 HydrophobicContact CG-CG 4.14Å; Q159-Q163 VanDerWaalsContact CG-OE1 3.3Å; Q159-Q163 WeakPolarHBondContact O-CB 3.42Å; Q159-Q163 WeakPolarHBondContact O-CG 3.24Å; Q159-Q163 PolarHBondContact O-N 3.2Å; S161-Q163 PolarHBondContact O-N 3.49Å
164Q66.8Low78.4Confident25 Ų2541.1 Ų41.112%0.11721%0.212CC..Hα-helixtrans-115.1-20.2-163-50.6-1765.800114.9L160 S221 L469L160-Q164 WeakPolarHBondContact O-CA 3.42Å; L160-Q164 WeakPolarHBondContact O-CB 3.14Å; L160-Q164 WeakPolarHBondContact O-CG 3.42Å; L160-Q164 PolarHBondContact O-N 3.24Å; Q164-S221 WeakPolarHBondContact O-CB 3.36Å; Q164-S221 PolarHBondContact O-OG 2.95Å; Q164-L469 HydrophobicContact CB-CD1 3.67Å; Q164-L469 HydrophobicContact CB-CD2 4.21Å
165V69Low79.2Confident16 Ų1640.6 Ų40.610%0.09721%0.209CC..THydrogen-bonded Turntrans-126.2-53-177.4-176.90000112.5S161 W465 L469S161-V165 PolarHBondContact O-N 3.38Å; S161-V165 VanDerWaalsContact O-N 3.08Å; V165-W465 HydrophobicContact CG2-CE3 4.28Å; V165-L469 HydrophobicContact CG2-CB 4.11Å; V165-L469 HydrophobicContact CG2-CD1 3.93Å; V165-L469 HydrophobicContact CG2-CD2 4.06Å; V165-L469 HydrophobicContact CG2-CG 4.25Å
166T76.3Confident80Confident27 Ų2739.8 Ų39.817%0.16622%0.215CC..SBendtrans-87.2-17.9-17358.90000113.3Y65 S161 F169 L170Y65-T166 HydrophobicContact CE2-CG2 4.45Å; Y65-T166 WeakPolarHBondContact OH-CG2 3.46Å; Y65-T166 PolarHBondContact OH-OG1 2.95Å; S161-T166 PolarHBondContact O-N 2.96Å; S161-T166 PolarHBondContact O-OG1 2.96Å; S161-T166 VanDerWaalsContact O-OG1 3.04Å; T166-F169 PolarHBondContact O-N 3.46Å; T166-L170 PolarHBondContact O-N 3.28Å; T166-L170 WeakPolarHBondContact OG1-CD1 3.41Å
167A78.3Confident80.6Confident8 Ų839.5 Ų39.57%0.06622%0.218CC..Hα-helixtrans-47.6-51.5-174.200000114.4L162 F169 L170 H171 M219L162-A167 WeakPolarHBondContact O-CA 3.16Å; L162-A167 WeakPolarHBondContact O-CB 3.46Å; A167-F169 VanDerWaalsContact C-N 3.32Å; A167-F169 PolarHBondContact O-N 3.42Å; A167-L170 PolarHBondContact O-N 2.84Å; A167-H171 WeakPolarHBondContact O-CB 3.24Å; A167-H171 PolarHBondContact O-N 3.46Å; A167-M219 VanDerWaalsContact C-SD 3.53Å; A167-M219 HydrophobicContact CB-CG 4.25Å; A167-M219 HydrophobicContact CB-SD 3.26Å; A167-M219 WeakPolarHBondContact CB-SD 3.23Å
168P83.6Confident81.5Confident3 Ų340.3 Ų40.32%0.01922%0.222CC..Hα-helixtrans-62.8-38.8-178.9-22.435.6000112.6H171 V172 F494 Y501 M504P168-H171 WeakPolarHBondContact O-CB 3.3Å; P168-H171 PolarHBondContact O-N 2.91Å; P168-V172 WeakPolarHBondContact O-CG2 3.3Å; P168-V172 PolarHBondContact O-N 3.31Å; P168-V172 VanDerWaalsContact O-N 3.1Å; P168-F494 HydrophobicContact CG-CZ 4.05Å; P168-Y501 HydrophobicContact CB-CD2 4.38Å; P168-Y501 HydrophobicContact CB-CE2 3.9Å; P168-Y501 HydrophobicContact CG-CD2 4.41Å; P168-Y501 HydrophobicContact CG-CE2 3.88Å; P168-M504 HydrophobicContact CB-CE 3.58Å
169F85.9Confident82.3Confident107 Ų10740 Ų4047%0.46922%0.222SC..Hα-helixtrans-74.5-39.6-179.8-57.6-73.7000112.1T166 A167 H171 V172 A173 F494T166-F169 PolarHBondContact O-N 3.46Å; A167-F169 VanDerWaalsContact C-N 3.32Å; A167-F169 PolarHBondContact O-N 3.42Å; F169-H171 VanDerWaalsContact C-N 3.27Å; F169-H171 PolarHBondContact O-N 2.86Å; F169-V172 PolarHBondContact O-N 2.94Å; F169-A173 WeakPolarHBondContact O-CB 3.46Å; F169-A173 PolarHBondContact O-N 3.31Å; F169-F494 AromaticContact CE2-CD2 3.52Å; F169-F494 HydrophobicContact CE2-CD2 3.52Å; F169-F494 AromaticContact CE2-CE2 3.56Å; F169-F494 HydrophobicContact CE2-CE2 3.56Å; F169-F494 HydrophobicContact CE2-CG 4.31Å; F169-F494 HydrophobicContact CE2-CZ 4.39Å; F169-F494 AromaticContact CZ-CD2 3.53Å; F169-F494 HydrophobicContact CZ-CD2 3.53Å; F169-F494 AromaticContact CZ-CE2 3.5Å; F169-F494 HydrophobicContact CZ-CE2 3.5Å; F169-F494 VanDerWaalsContact CZ-CE2 3.5Å
170L84.7Confident83Confident58 Ų5840.1 Ų40.130%0.30423%0.23SC..Hα-helixtrans-61.5-38.4173.2-75.6172.2000111.1Y65 L162 T166 A167 A173 A174Y65-L170 HydrophobicContact CE2-CD1 4.49Å; L162-L170 HydrophobicContact CD2-CD1 3.72Å; T166-L170 PolarHBondContact O-N 3.28Å; T166-L170 WeakPolarHBondContact OG1-CD1 3.41Å; A167-L170 PolarHBondContact O-N 2.84Å; L170-A173 PolarHBondContact O-N 3.45Å; L170-A174 VanDerWaalsContact O-CB 3.25Å; L170-A174 WeakPolarHBondContact O-CB 3.49Å; L170-A174 PolarHBondContact O-N 3.47Å
171H88.9Confident83.6Confident9 Ų942.4 Ų42.44%0.04224%0.241CC..Hα-helixtrans-61.4-51.6172.8174.7-98.9000111.7A167 P168 F169 A173 A174 V175 L212 P216 M219 W505 D509A167-H171 WeakPolarHBondContact O-CB 3.24Å; A167-H171 PolarHBondContact O-N 3.46Å; P168-H171 WeakPolarHBondContact O-CB 3.3Å; P168-H171 PolarHBondContact O-N 2.91Å; F169-H171 VanDerWaalsContact C-N 3.27Å; F169-H171 PolarHBondContact O-N 2.86Å; H171-A173 VanDerWaalsContact C-N 3.29Å; H171-A173 PolarHBondContact O-N 3.39Å; H171-A174 PolarHBondContact O-N 3.48Å; H171-V175 WeakPolarHBondContact NE2-CG2 3.47Å; H171-V175 WeakPolarHBondContact O-CG2 3.37Å; H171-V175 PolarHBondContact O-N 3.13Å; H171-L212 PolarHBondContact CD2-O 3.08Å; H171-L212 VanDerWaalsContact CD2-O 3.26Å; H171-L212 PolarHBondContact NE2-O 3.36Å; H171-P216 WeakPolarHBondContact NE2-CG 3.4Å; H171-M219 HydrophobicContact CB-CE 3.64Å; H171-W505 AromaticContact CE1-CD1 3.81Å; H171-D509 IonicContact CE1-OD1 2.83Å; H171-D509 PolarHBondContact CE1-OD1 3.13Å; H171-D509 IonicContact NE2-OD1 3.79Å
172V90.4Very high84.3Confident39 Ų3942.4 Ų42.424%0.23624%0.241CC..Hα-helixtrans-57.6-43.6177.6173.80000111.3P168 F169 S176 M504 T508P168-V172 WeakPolarHBondContact O-CG2 3.3Å; P168-V172 PolarHBondContact O-N 3.31Å; P168-V172 VanDerWaalsContact O-N 3.1Å; F169-V172 PolarHBondContact O-N 2.94Å; V172-S176 VanDerWaalsContact O-CB 3.23Å; V172-S176 WeakPolarHBondContact O-CB 3.08Å; V172-S176 PolarHBondContact O-N 3.31Å; V172-S176 PolarHBondContact O-OG 3.09Å; V172-M504 HydrophobicContact CG2-CG 4.34Å; V172-M504 HydrophobicContact CG2-SD 4.33Å; V172-T508 HydrophobicContact CB-CG2 4.4Å; V172-T508 HydrophobicContact CG1-CG2 4.26Å; V172-T508 HydrophobicContact CG2-CG2 4.17Å
173A90.3Very high85.1Confident57 Ų5746.5 Ų46.547%0.47125%0.253SS..Hα-helixtrans-64.1-43.9177.100000112.3F169 L170 H171 S176 L177F169-A173 WeakPolarHBondContact O-CB 3.46Å; F169-A173 PolarHBondContact O-N 3.31Å; L170-A173 PolarHBondContact O-N 3.45Å; H171-A173 VanDerWaalsContact C-N 3.29Å; H171-A173 PolarHBondContact O-N 3.39Å; A173-S176 PolarHBondContact O-N 3.41Å; A173-L177 WeakPolarHBondContact O-CB 3.47Å; A173-L177 PolarHBondContact O-N 3.01Å
174A90.8Very high86.2Confident29 Ų2943.2 Ų43.224%0.2424%0.239CC..Hα-helixtrans-65.2-44.117900000112.1L170 H171 L177 M178 L212L170-A174 VanDerWaalsContact O-CB 3.25Å; L170-A174 WeakPolarHBondContact O-CB 3.49Å; L170-A174 PolarHBondContact O-N 3.47Å; H171-A174 PolarHBondContact O-N 3.48Å; A174-L177 PolarHBondContact O-N 3.28Å; A174-M178 WeakPolarHBondContact O-CG 3.42Å; A174-M178 PolarHBondContact O-N 3.01Å; A174-L212 HydrophobicContact CB-CD1 4.3Å; A174-L212 HydrophobicContact CB-CD2 3.9Å
175V93.4Very high87.1Confident0 Ų043.2 Ų43.20%024%0.241CC..Hα-helixtrans-65.8-41.3176.5171.70000111.2H171 L177 M178 A179 L212 Y213 T508 S512H171-V175 WeakPolarHBondContact NE2-CG2 3.47Å; H171-V175 WeakPolarHBondContact O-CG2 3.37Å; H171-V175 PolarHBondContact O-N 3.13Å; V175-L177 VanDerWaalsContact C-N 3.35Å; V175-M178 PolarHBondContact O-N 3.4Å; V175-A179 PolarHBondContact O-N 2.86Å; V175-L212 HydrophobicContact CG2-CB 4.25Å; V175-Y213 HydrophobicContact CG1-CE1 3.79Å; V175-Y213 HydrophobicContact CG2-CD1 4.15Å; V175-Y213 HydrophobicContact CG2-CE1 4.18Å; V175-T508 HydrophobicContact CB-CG2 4.08Å; V175-T508 HydrophobicContact CG1-CG2 3.88Å; V175-S512 VanDerWaalsContact CG1-OG 3.27Å; V175-S512 WeakPolarHBondContact CG1-OG 3.35Å
176S91.8Very high87.9Confident59 Ų5942.6 Ų42.641%0.41324%0.238SC..Hα-helixtrans-62.8-41.7174.8-60.80000111.6V172 A173 M178 A179 V180V172-S176 VanDerWaalsContact O-CB 3.23Å; V172-S176 WeakPolarHBondContact O-CB 3.08Å; V172-S176 PolarHBondContact O-N 3.31Å; V172-S176 PolarHBondContact O-OG 3.09Å; A173-S176 PolarHBondContact O-N 3.41Å; S176-M178 PolarHBondContact O-N 3.17Å; S176-A179 WeakPolarHBondContact O-CB 3.39Å; S176-A179 PolarHBondContact O-N 3.37Å; S176-V180 WeakPolarHBondContact O-CG2 3.44Å; S176-V180 PolarHBondContact O-N 3.35Å
177L91.1Very high88.2Confident100 Ų10043.4 Ų43.452%0.52424%0.241SC..Hα-helixtrans-62.1-43174.9-179.963.5000111.3A173 A174 V175 A179 V180 L181A173-L177 WeakPolarHBondContact O-CB 3.47Å; A173-L177 PolarHBondContact O-N 3.01Å; A174-L177 PolarHBondContact O-N 3.28Å; V175-L177 VanDerWaalsContact C-N 3.35Å; L177-A179 VanDerWaalsContact C-N 3.31Å; L177-A179 PolarHBondContact O-N 3.5Å; L177-V180 PolarHBondContact O-N 3.04Å; L177-L181 HydrophobicContact CD1-CD1 4.34Å; L177-L181 HydrophobicContact CD1-CG 4.34Å; L177-L181 HydrophobicContact CG-CD1 4.03Å; L177-L181 HydrophobicContact CG-CG 4.43Å; L177-L181 WeakPolarHBondContact O-CB 3.48Å; L177-L181 VanDerWaalsContact O-CG 3.29Å; L177-L181 WeakPolarHBondContact O-CG 3.44Å; L177-L181 PolarHBondContact O-N 3.27Å
178M92.8Very high88.3Confident18 Ų1845.9 Ų45.99%0.08925%0.251CS..Hα-helixtrans-61.2-40.1175-73.1-62-7200112A174 V175 S176 L181 S182 Y205 M208 L209 L212A174-M178 WeakPolarHBondContact O-CG 3.42Å; A174-M178 PolarHBondContact O-N 3.01Å; V175-M178 PolarHBondContact O-N 3.4Å; S176-M178 PolarHBondContact O-N 3.17Å; M178-L181 CarbonylContact O-C 3.59Å; M178-L181 PolarHBondContact O-N 2.87Å; M178-S182 PolarHBondContact O-N 3.14Å; M178-Y205 HydrophobicContact CE-CD2 3.52Å; M178-Y205 HydrophobicContact CE-CE2 3.4Å; M178-Y205 HydrophobicContact CE-CG 4.17Å; M178-Y205 PolarHBondContact O-OH 2.9Å; M178-Y205 HydrophobicContact SD-CE2 4.32Å; M178-M208 HydrophobicContact CE-CB 3.99Å; M178-M208 HydrophobicContact CE-CG 3.98Å; M178-M208 HydrophobicContact SD-CG 4.18Å; M178-L209 HydrophobicContact CB-CD1 3.99Å; M178-L209 HydrophobicContact CE-CB 4.2Å; M178-L212 HydrophobicContact CG-CD1 3.53Å; M178-L212 HydrophobicContact SD-CD1 4.46Å
179A91.9Very high88.2Confident10 Ų1047.9 Ų47.98%0.08326%0.259CS..Hα-helixtrans-62-43174.500000111.7V175 S176 L177 L181 S182 I516V175-A179 PolarHBondContact O-N 2.86Å; S176-A179 WeakPolarHBondContact O-CB 3.39Å; S176-A179 PolarHBondContact O-N 3.37Å; L177-A179 VanDerWaalsContact C-N 3.31Å; L177-A179 PolarHBondContact O-N 3.5Å; A179-L181 PolarHBondContact O-N 3.27Å; A179-S182 VanDerWaalsContact O-CB 3.27Å; A179-S182 WeakPolarHBondContact O-CB 3.37Å; A179-S182 PolarHBondContact O-N 3.01Å; A179-S182 PolarHBondContact O-OG 3.47Å; A179-I516 HydrophobicContact CB-CG1 4.29Å
180V90.3Very high88Confident106 Ų10649.2 Ų49.264%0.64227%0.265SS*.Hα-helixtrans-64.1-40.3174.61740000111.6S176 L177 S182 P184S176-V180 WeakPolarHBondContact O-CG2 3.44Å; S176-V180 PolarHBondContact O-N 3.35Å; L177-V180 PolarHBondContact O-N 3.04Å; V180-S182 PolarHBondContact O-N 3.42Å; V180-P184 WeakPolarHBondContact O-CD 3.36Å
181L88.7Confident87.7Confident57 Ų5751.8 Ų51.830%0.29827%0.271SS..Hα-helixtrans-71.5-11.5178-69.9175000113.6L177 M178 A179 W183 P184 T185L177-L181 HydrophobicContact CD1-CD1 4.34Å; L177-L181 HydrophobicContact CD1-CG 4.34Å; L177-L181 HydrophobicContact CG-CD1 4.03Å; L177-L181 HydrophobicContact CG-CG 4.43Å; L177-L181 WeakPolarHBondContact O-CB 3.48Å; L177-L181 VanDerWaalsContact O-CG 3.29Å; L177-L181 WeakPolarHBondContact O-CG 3.44Å; L177-L181 PolarHBondContact O-N 3.27Å; M178-L181 CarbonylContact O-C 3.59Å; M178-L181 PolarHBondContact O-N 2.87Å; A179-L181 PolarHBondContact O-N 3.27Å; L181-W183 VanDerWaalsContact C-N 3.33Å; L181-W183 PolarHBondContact O-N 2.9Å; L181-P184 HydrophobicContact CD2-CG 4.4Å; L181-P184 VanDerWaalsContact O-CD 3.31Å; L181-P184 WeakPolarHBondContact O-CD 3.46Å; L181-P184 WeakPolarHBondContact O-CG 3.31Å; L181-T185 VanDerWaalsContact O-CB 3.31Å; L181-T185 WeakPolarHBondContact O-CB 3.12Å; L181-T185 PolarHBondContact O-N 3.32Å; L181-T185 VanDerWaalsContact O-N 3.17Å; L181-T185 PolarHBondContact O-OG1 2.98Å
182S91.4Very high87Confident0 Ų052.5 Ų52.50%027%0.274CS..Hα-helixtrans-62.5-39.5176.372.40000112M178 A179 V180 T185 A186 Y205 I519M178-S182 PolarHBondContact O-N 3.14Å; A179-S182 VanDerWaalsContact O-CB 3.27Å; A179-S182 WeakPolarHBondContact O-CB 3.37Å; A179-S182 PolarHBondContact O-N 3.01Å; A179-S182 PolarHBondContact O-OG 3.47Å; V180-S182 PolarHBondContact O-N 3.42Å; S182-T185 PolarHBondContact O-N 3.23Å; S182-A186 VanDerWaalsContact O-CB 3.31Å; S182-A186 WeakPolarHBondContact O-CB 3.29Å; S182-A186 PolarHBondContact O-N 3.46Å; S182-Y205 WeakPolarHBondContact CB-OH 3.09Å; S182-I519 WeakPolarHBondContact OG-CD1 3.33Å
183W88.1Confident86.1Confident153 Ų15356.1 Ų56.158%0.5829%0.292SS*.Hα-helixtrans-59.9-56.2179173.1-97.4000113.8L181 T185 A186 L187 I519L181-W183 VanDerWaalsContact C-N 3.33Å; L181-W183 PolarHBondContact O-N 2.9Å; W183-T185 PolarHBondContact O-N 3.45Å; W183-A186 PolarHBondContact O-N 3.31Å; W183-L187 HydrophobicContact CD2-CD1 4.22Å; W183-L187 HydrophobicContact CG-CD1 4.35Å; W183-L187 HydrophobicContact CZ2-CD1 4Å; W183-L187 VanDerWaalsContact NE1-CD1 3.29Å; W183-L187 WeakPolarHBondContact O-CG 3.47Å; W183-L187 PolarHBondContact O-N 2.84Å; W183-I519 HydrophobicContact CB-CG2 4.2Å; W183-I519 HydrophobicContact CE3-CG2 4.19Å
184P85.1Confident85.6Confident26 Ų2659.3 Ų59.317%0.16930%0.296CS..Hα-helixtrans-63.8-31.7176.122.9-31.2000112.1V114 V180 L181 H188V114-P184 HydrophobicContact CG1-CB 4.24Å; V114-P184 HydrophobicContact CG1-CG 4.21Å; V180-P184 WeakPolarHBondContact O-CD 3.36Å; L181-P184 HydrophobicContact CD2-CG 4.4Å; L181-P184 VanDerWaalsContact O-CD 3.31Å; L181-P184 WeakPolarHBondContact O-CD 3.46Å; L181-P184 WeakPolarHBondContact O-CG 3.31Å; P184-H188 WeakPolarHBondContact O-CB 3.38Å; P184-H188 PolarHBondContact O-N 3.49Å
185T85.4Confident85.2Confident26 Ų2665.5 Ų65.516%0.1632%0.317CS..Hα-helixtrans-68.2-44.7177.2-54.40000111.8L181 S182 W183 H188 F189 V201 Y205 F520L181-T185 VanDerWaalsContact O-CB 3.31Å; L181-T185 WeakPolarHBondContact O-CB 3.12Å; L181-T185 PolarHBondContact O-N 3.32Å; L181-T185 VanDerWaalsContact O-N 3.17Å; L181-T185 PolarHBondContact O-OG1 2.98Å; S182-T185 PolarHBondContact O-N 3.23Å; W183-T185 PolarHBondContact O-N 3.45Å; T185-H188 PolarHBondContact O-N 3.16Å; T185-F189 WeakPolarHBondContact O-CB 3.23Å; T185-F189 PolarHBondContact O-N 3.3Å; T185-V201 HydrophobicContact CG2-CG1 4.06Å; T185-Y205 HydrophobicContact CG2-CD2 4.22Å; T185-Y205 HydrophobicContact CG2-CG 4.29Å; T185-F520 HydrophobicContact CG2-CZ 3.97Å
186A85.9Confident84.6Confident3 Ų370.9 Ų70.93%0.02535%0.35CS..Hα-helixtrans-62.5-46.817600000111.2S182 W183 H188 F189 F190 I519 F520S182-A186 VanDerWaalsContact O-CB 3.31Å; S182-A186 WeakPolarHBondContact O-CB 3.29Å; S182-A186 PolarHBondContact O-N 3.46Å; W183-A186 PolarHBondContact O-N 3.31Å; A186-H188 VanDerWaalsContact C-N 3.28Å; A186-H188 PolarHBondContact O-N 2.92Å; A186-F189 WeakPolarHBondContact O-CB 3.39Å; A186-F189 PolarHBondContact O-N 3.02Å; A186-F189 VanDerWaalsContact O-N 3.14Å; A186-F190 HydrophobicContact CB-CE2 4.43Å; A186-F190 WeakPolarHBondContact O-CD2 3.39Å; A186-F190 PolarHBondContact O-N 3.38Å; A186-I519 HydrophobicContact CB-CG2 3.96Å; A186-F520 HydrophobicContact CB-CD1 3.85Å; A186-F520 HydrophobicContact CB-CD2 4.15Å; A186-F520 HydrophobicContact CB-CE1 3.81Å; A186-F520 HydrophobicContact CB-CE2 4.11Å; A186-F520 HydrophobicContact CB-CG 4.03Å; A186-F520 HydrophobicContact CB-CZ 3.95Å
187L82.8Confident84.1Confident44 Ų4473.5 Ų73.523%0.2335%0.351CS..Hα-helixtrans-56.2-43.1173.5-80.5167.3000112.2W183 R191W183-L187 HydrophobicContact CD2-CD1 4.22Å; W183-L187 HydrophobicContact CG-CD1 4.35Å; W183-L187 HydrophobicContact CZ2-CD1 4Å; W183-L187 VanDerWaalsContact NE1-CD1 3.29Å; W183-L187 WeakPolarHBondContact O-CG 3.47Å; W183-L187 PolarHBondContact O-N 2.84Å; L187-R191 WeakPolarHBondContact O-CB 3.42Å; L187-R191 VanDerWaalsContact O-CG 3.25Å; L187-R191 WeakPolarHBondContact O-CG 3.39Å; L187-R191 PolarHBondContact O-N 3.24Å
188H80Confident83.7Confident60 Ų6069.8 Ų69.828%0.27833%0.331SS..Hα-helixtrans-66.8-42.4177.1-167.571.9000111.7C41 P184 T185 A186 R191 M192C41-H188 VanDerWaalsContact SG-CE1 3.56Å; P184-H188 WeakPolarHBondContact O-CB 3.38Å; P184-H188 PolarHBondContact O-N 3.49Å; T185-H188 PolarHBondContact O-N 3.16Å; A186-H188 VanDerWaalsContact C-N 3.28Å; A186-H188 PolarHBondContact O-N 2.92Å; H188-R191 PolarHBondContact O-N 3.27Å; H188-M192 WeakPolarHBondContact O-CG 3.29Å; H188-M192 PolarHBondContact O-N 3.05Å
189F83.4Confident83.4Confident45 Ų4573.5 Ų73.520%0.19735%0.354CS..Hα-helixtrans-57.5-50.1176.8179.4-91.8000111.8T185 A186 R191 M192 Q198 L202 F520T185-F189 WeakPolarHBondContact O-CB 3.23Å; T185-F189 PolarHBondContact O-N 3.3Å; A186-F189 WeakPolarHBondContact O-CB 3.39Å; A186-F189 PolarHBondContact O-N 3.02Å; A186-F189 VanDerWaalsContact O-N 3.14Å; F189-R191 VanDerWaalsContact C-N 3.33Å; F189-R191 PolarHBondContact O-N 3.41Å; F189-M192 PolarHBondContact O-N 3.45Å; F189-Q198 HydrophobicContact CD2-CB 3.87Å; F189-Q198 HydrophobicContact CD2-CG 4.11Å; F189-Q198 HydrophobicContact CE2-CB 3.59Å; F189-Q198 HydrophobicContact CE2-CG 4.15Å; F189-Q198 HydrophobicContact CZ-CB 4.28Å; F189-Q198 PolarHBondContact O-NE2 3.06Å; F189-L202 HydrophobicContact CD2-CB 4.22Å; F189-L202 HydrophobicContact CE2-CB 4.08Å; F189-L202 HydrophobicContact CE2-CD2 3.94Å; F189-L202 HydrophobicContact CZ-CD2 4.35Å; F189-F520 HydrophobicContact CB-CE1 4.39Å
190F81.7Confident83.1Confident134 Ų13476.8 Ų76.859%0.58837%0.373SS*.Hα-helixtrans-68.7-27.1-179.9-72.1-62.8000114A186 F520A186-F190 HydrophobicContact CB-CE2 4.43Å; A186-F190 WeakPolarHBondContact O-CD2 3.39Å; A186-F190 PolarHBondContact O-N 3.38Å; F190-F520 WeakPolarHBondContact CZ-O 3.47Å
191R76.7Confident82.9Confident112 Ų11273.9 Ų73.942%0.42336%0.355SS..Hα-helixtrans-82.3-16.5178.3-72.7177.3-176.2172.27.6114.2S118 G120 L187 H188 F189S118-R191 VanDerWaalsContact O-CZ 3.3Å; S118-R191 PolarHBondContact O-NH1 2.67Å; S118-R191 PolarHBondContact O-NH2 2.85Å; S118-R191 VanDerWaalsContact O-NH2 3.1Å; G120-R191 VanDerWaalsContact N-NH1 3.19Å; L187-R191 WeakPolarHBondContact O-CB 3.42Å; L187-R191 VanDerWaalsContact O-CG 3.25Å; L187-R191 WeakPolarHBondContact O-CG 3.39Å; L187-R191 PolarHBondContact O-N 3.24Å; H188-R191 PolarHBondContact O-N 3.27Å; F189-R191 VanDerWaalsContact C-N 3.33Å; F189-R191 PolarHBondContact O-N 3.41Å
192M76.1Confident83Confident24 Ų2473.4 Ų73.412%0.11835%0.353CS..  trans-77.5130.3-179.3-80.8-168.5-71.400112.1H188 F189 R197 Q198 V201H188-M192 WeakPolarHBondContact O-CG 3.29Å; H188-M192 PolarHBondContact O-N 3.05Å; F189-M192 PolarHBondContact O-N 3.45Å; M192-R197 HydrophobicContact SD-CB 3.72Å; M192-Q198 HydrophobicContact CB-CG 3.79Å; M192-Q198 HydrophobicContact CE-CB 4.4Å; M192-Q198 HydrophobicContact CE-CG 3.94Å; M192-Q198 PolarHBondContact O-NE2 3.36Å; M192-V201 HydrophobicContact CE-CB 4.16Å; M192-V201 HydrophobicContact CE-CG2 3.99Å
193N70.9Confident82.9Confident115 Ų11576 Ų7662%0.61537%0.374SS*.  trans-83.6-17.7176.7-80.9-16.9000114.3P37P37-N193 PolarHBondContact O-ND2 2.99Å
194K79.5Confident83Confident124 Ų12474.3 Ų74.354%0.53938%0.376SS..  trans-99.7111.7-176.4-70.2-167177.8-171.20111.8V196 R197 Q198K194-V196 PolarHBondContact O-N 3.19Å; K194-R197 HydrophobicContact CB-CB 4.49Å; K194-R197 HydrophobicContact CB-CG 4.45Å; K194-R197 PolarHBondContact O-N 2.84Å; K194-Q198 PolarHBondContact O-N 3.2Å; K194-Q198 VanDerWaalsContact O-N 3.13Å
195K81.6Confident83.3Confident159 Ų15973.9 Ų73.969%0.69137%0.371SS*.Hα-helixtrans-49.5-40.9175.7-72.3-80.6178.3-1780113.4R197 Q198 V199K195-R197 PolarHBondContact O-N 3.3Å; K195-Q198 WeakPolarHBondContact O-CB 3.39Å; K195-Q198 PolarHBondContact O-N 2.73Å; K195-V199 VanDerWaalsContact O-CG2 3.32Å; K195-V199 WeakPolarHBondContact O-CG2 3.31Å; K195-V199 PolarHBondContact O-N 3.13Å
196V82.4Confident83.6Confident114 Ų11476.8 Ų76.869%0.69139%0.385SS*.Hα-helixtrans-59.9-44.1178.7179.90000111.9K194 V199 V200K194-V196 PolarHBondContact O-N 3.19Å; V196-V199 PolarHBondContact O-N 2.87Å; V196-V200 VanDerWaalsContact O-CG2 3.28Å; V196-V200 WeakPolarHBondContact O-CG2 3.48Å; V196-V200 PolarHBondContact O-N 3.03Å
197R79.3Confident83.9Confident113 Ų11380 Ų8043%0.42641%0.408SS..Hα-helixtrans-72.3-36179.5-68.7-174.5-180171.6-1.9112.1M192 K194 K195 V200 V201M192-R197 HydrophobicContact SD-CB 3.72Å; K194-R197 HydrophobicContact CB-CB 4.49Å; K194-R197 HydrophobicContact CB-CG 4.45Å; K194-R197 PolarHBondContact O-N 2.84Å; K195-R197 PolarHBondContact O-N 3.3Å; R197-V200 PolarHBondContact O-N 2.88Å; R197-V201 WeakPolarHBondContact O-CG2 3.47Å; R197-V201 PolarHBondContact O-N 2.61Å
198Q82.9Confident84.4Confident22 Ų2282.6 Ų82.610%0.10342%0.42CS..Hα-helixtrans-56.6-50.1171.9-76.7178-31.200111.5F189 M192 K194 K195 V200 V201 L202F189-Q198 HydrophobicContact CD2-CB 3.87Å; F189-Q198 HydrophobicContact CD2-CG 4.11Å; F189-Q198 HydrophobicContact CE2-CB 3.59Å; F189-Q198 HydrophobicContact CE2-CG 4.15Å; F189-Q198 HydrophobicContact CZ-CB 4.28Å; F189-Q198 PolarHBondContact O-NE2 3.06Å; M192-Q198 HydrophobicContact CB-CG 3.79Å; M192-Q198 HydrophobicContact CE-CB 4.4Å; M192-Q198 HydrophobicContact CE-CG 3.94Å; M192-Q198 PolarHBondContact O-NE2 3.36Å; K194-Q198 PolarHBondContact O-N 3.2Å; K194-Q198 VanDerWaalsContact O-N 3.13Å; K195-Q198 WeakPolarHBondContact O-CB 3.39Å; K195-Q198 PolarHBondContact O-N 2.73Å; Q198-V200 PolarHBondContact O-N 2.66Å; Q198-V201 PolarHBondContact O-N 3.42Å; Q198-L202 WeakPolarHBondContact O-CB 3.41Å; Q198-L202 PolarHBondContact O-N 3.32Å
199V87.1Confident85Confident97 Ų9780.3 Ų80.359%0.58841%0.41SS*.Hα-helixtrans-61.3-44.2178.2173.40000110.9K195 V196 A203K195-V199 VanDerWaalsContact O-CG2 3.32Å; K195-V199 WeakPolarHBondContact O-CG2 3.31Å; K195-V199 PolarHBondContact O-N 3.13Å; V196-V199 PolarHBondContact O-N 2.87Å; V199-A203 WeakPolarHBondContact O-CB 3.39Å; V199-A203 PolarHBondContact O-N 3.45Å
200V86.8Confident85.5Confident78 Ų7884.1 Ų84.147%0.47343%0.426SS..Hα-helixtrans-63.1-48.3179.9170.20000112.1V196 R197 Q198 A203 L204V196-V200 VanDerWaalsContact O-CG2 3.28Å; V196-V200 WeakPolarHBondContact O-CG2 3.48Å; V196-V200 PolarHBondContact O-N 3.03Å; R197-V200 PolarHBondContact O-N 2.88Å; Q198-V200 PolarHBondContact O-N 2.66Å; V200-A203 PolarHBondContact O-N 3.24Å; V200-L204 HydrophobicContact CG1-CD1 3.95Å; V200-L204 VanDerWaalsContact O-CG 3.3Å; V200-L204 WeakPolarHBondContact O-CG 3.21Å; V200-L204 PolarHBondContact O-N 2.9Å
201V86.1Confident86Confident45 Ų4580.7 Ų80.727%0.27342%0.419SS..Hα-helixtrans-64-44.8-179.1172.30000111T185 M192 R197 Q198 L204 Y205T185-V201 HydrophobicContact CG2-CG1 4.06Å; M192-V201 HydrophobicContact CE-CB 4.16Å; M192-V201 HydrophobicContact CE-CG2 3.99Å; R197-V201 WeakPolarHBondContact O-CG2 3.47Å; R197-V201 PolarHBondContact O-N 2.61Å; Q198-V201 PolarHBondContact O-N 3.42Å; V201-L204 PolarHBondContact O-N 3.48Å; V201-Y205 WeakPolarHBondContact O-CB 3.44Å; V201-Y205 PolarHBondContact O-N 3Å
202L89Confident86.7Confident48 Ų4876.5 Ų76.525%0.25141%0.405SS..Hα-helixtrans-65.4-42.1178.4-175.763.1000111.5F189 Q198 L204 Y205 L206 F520F189-L202 HydrophobicContact CD2-CB 4.22Å; F189-L202 HydrophobicContact CE2-CB 4.08Å; F189-L202 HydrophobicContact CE2-CD2 3.94Å; F189-L202 HydrophobicContact CZ-CD2 4.35Å; Q198-L202 WeakPolarHBondContact O-CB 3.41Å; Q198-L202 PolarHBondContact O-N 3.32Å; L202-L204 PolarHBondContact O-N 2.84Å; L202-Y205 PolarHBondContact O-N 2.91Å; L202-L206 HydrophobicContact CD1-CD1 4.12Å; L202-L206 HydrophobicContact CD1-CG 4.14Å; L202-L206 HydrophobicContact CD2-CD1 4.49Å; L202-L206 HydrophobicContact CG-CD1 3.88Å; L202-L206 HydrophobicContact CG-CG 4.3Å; L202-L206 WeakPolarHBondContact O-CB 3.47Å; L202-L206 VanDerWaalsContact O-CG 3.31Å; L202-L206 WeakPolarHBondContact O-CG 3.19Å; L202-L206 PolarHBondContact O-N 2.75Å; L202-F520 HydrophobicContact CD1-CE1 3.92Å; L202-F520 HydrophobicContact CD1-CZ 4.15Å
203A90Very high87.5Confident53 Ų5377.2 Ų77.244%0.43841%0.406SS..Hα-helixtrans-62.4-42.1177.300000112.1V199 V200 S207V199-A203 WeakPolarHBondContact O-CB 3.39Å; V199-A203 PolarHBondContact O-N 3.45Å; V200-A203 PolarHBondContact O-N 3.24Å; A203-S207 WeakPolarHBondContact O-CB 3.24Å; A203-S207 PolarHBondContact O-N 3.44Å
204L90.1Very high88.5Confident118 Ų11875.4 Ų75.462%0.61840%0.396SS*.Hα-helixtrans-63.4-44.8176-72.6169.6000111.7V200 V201 L202 S207 M208V200-L204 HydrophobicContact CG1-CD1 3.95Å; V200-L204 VanDerWaalsContact O-CG 3.3Å; V200-L204 WeakPolarHBondContact O-CG 3.21Å; V200-L204 PolarHBondContact O-N 2.9Å; V201-L204 PolarHBondContact O-N 3.48Å; L202-L204 PolarHBondContact O-N 2.84Å; L204-S207 PolarHBondContact O-N 3.07Å; L204-M208 WeakPolarHBondContact O-CB 3.1Å; L204-M208 PolarHBondContact O-N 3.04Å
205Y91.6Very high88.9Confident17 Ų1772.8 Ų72.87%0.06739%0.39CS..Hα-helixtrans-61.7-49.5177.4178.4-91.9000111.7M178 S182 T185 V201 L202 S207 M208 L209 I516 F520M178-Y205 HydrophobicContact CE-CD2 3.52Å; M178-Y205 HydrophobicContact CE-CE2 3.4Å; M178-Y205 HydrophobicContact CE-CG 4.17Å; M178-Y205 PolarHBondContact O-OH 2.9Å; M178-Y205 HydrophobicContact SD-CE2 4.32Å; S182-Y205 WeakPolarHBondContact CB-OH 3.09Å; T185-Y205 HydrophobicContact CG2-CD2 4.22Å; T185-Y205 HydrophobicContact CG2-CG 4.29Å; V201-Y205 WeakPolarHBondContact O-CB 3.44Å; V201-Y205 PolarHBondContact O-N 3Å; L202-Y205 PolarHBondContact O-N 2.91Å; Y205-S207 PolarHBondContact O-N 3.45Å; Y205-M208 PolarHBondContact O-N 3.21Å; Y205-L209 HydrophobicContact CE1-CD2 4.3Å; Y205-L209 WeakPolarHBondContact O-CB 3.48Å; Y205-L209 PolarHBondContact O-N 2.91Å; Y205-I516 HydrophobicContact CE1-CG2 4.09Å; Y205-I516 WeakPolarHBondContact OH-CD1 3.45Å; Y205-F520 HydrophobicContact CE1-CE2 4.36Å
206L92.6Very high89.2Confident87 Ų8765.5 Ų65.546%0.45536%0.359SS..Hα-helixtrans-65.5-37.3178.8-69.7176.2000112.3L202 L209 F210L202-L206 HydrophobicContact CD1-CD1 4.12Å; L202-L206 HydrophobicContact CD1-CG 4.14Å; L202-L206 HydrophobicContact CD2-CD1 4.49Å; L202-L206 HydrophobicContact CG-CD1 3.88Å; L202-L206 HydrophobicContact CG-CG 4.3Å; L202-L206 WeakPolarHBondContact O-CB 3.47Å; L202-L206 VanDerWaalsContact O-CG 3.31Å; L202-L206 WeakPolarHBondContact O-CG 3.19Å; L202-L206 PolarHBondContact O-N 2.75Å; L206-L209 PolarHBondContact O-N 2.84Å; L206-F210 VanDerWaalsContact O-CB 3.23Å; L206-F210 WeakPolarHBondContact O-CB 3.46Å; L206-F210 PolarHBondContact O-N 2.99Å
207S92.4Very high89.3Confident72 Ų7266 Ų6650%0.50336%0.358SS..Hα-helixtrans-63.4-42.6175.5-174.10000111.6A203 L204 Y205 S211A203-S207 WeakPolarHBondContact O-CB 3.24Å; A203-S207 PolarHBondContact O-N 3.44Å; L204-S207 PolarHBondContact O-N 3.07Å; Y205-S207 PolarHBondContact O-N 3.45Å; S207-S211 WeakPolarHBondContact O-CB 3.49Å; S207-S211 PolarHBondContact O-N 3.38Å; S207-S211 PolarHBondContact O-OG 2.89Å
208M92.1Very high89.4Confident98 Ų9864 Ų6448%0.48337%0.372SS..Hα-helixtrans-65.6-45.8176.2-173.667.8174.500111.1M178 L204 Y205 S211 L212M178-M208 HydrophobicContact CE-CB 3.99Å; M178-M208 HydrophobicContact CE-CG 3.98Å; M178-M208 HydrophobicContact SD-CG 4.18Å; L204-M208 WeakPolarHBondContact O-CB 3.1Å; L204-M208 PolarHBondContact O-N 3.04Å; Y205-M208 PolarHBondContact O-N 3.21Å; M208-S211 PolarHBondContact O-N 3.03Å; M208-L212 HydrophobicContact CG-CD1 4.37Å; M208-L212 WeakPolarHBondContact O-CG 3.28Å; M208-L212 PolarHBondContact O-N 3.18Å
209L93.2Very high89.3Confident12 Ų1264.7 Ų64.76%0.06338%0.376CS..Hα-helixtrans-61.1-47.8178.4-176.168.1000111.9M178 Y205 L206 S211 L212 Y213 I516M178-L209 HydrophobicContact CB-CD1 3.99Å; M178-L209 HydrophobicContact CE-CB 4.2Å; Y205-L209 HydrophobicContact CE1-CD2 4.3Å; Y205-L209 WeakPolarHBondContact O-CB 3.48Å; Y205-L209 PolarHBondContact O-N 2.91Å; L206-L209 PolarHBondContact O-N 2.84Å; L209-S211 VanDerWaalsContact C-N 3.31Å; L209-S211 PolarHBondContact O-N 3.32Å; L209-L212 WeakPolarHBondContact O-CB 3.23Å; L209-L212 PolarHBondContact O-N 3.39Å; L209-Y213 HydrophobicContact CD1-CD1 4.48Å; L209-Y213 HydrophobicContact CD1-CE1 3.78Å; L209-Y213 HydrophobicContact CD1-CE2 4.24Å; L209-Y213 HydrophobicContact CD2-CE2 4.1Å; L209-Y213 HydrophobicContact CG-CD2 4.38Å; L209-Y213 HydrophobicContact CG-CE1 4.25Å; L209-Y213 HydrophobicContact CG-CE2 3.84Å; L209-Y213 PolarHBondContact O-N 2.67Å; L209-I516 HydrophobicContact CD1-CD1 3.86Å; L209-I516 HydrophobicContact CD2-CD1 3.63Å; L209-I516 HydrophobicContact CG-CD1 4.41Å
210F93.8Very high88.9Confident125 Ų12566 Ų6655%0.54837%0.371SS..Hα-helixtrans-61.4-41.5177.4-179.2-103.8000111.7L206 L212 Y213 L214L206-F210 VanDerWaalsContact O-CB 3.23Å; L206-F210 WeakPolarHBondContact O-CB 3.46Å; L206-F210 PolarHBondContact O-N 2.99Å; F210-L212 VanDerWaalsContact C-N 3.31Å; F210-L212 PolarHBondContact O-N 3.05Å; F210-Y213 PolarHBondContact O-N 3.23Å; F210-L214 HydrophobicContact CD1-CD1 4Å; F210-L214 HydrophobicContact CE1-CD1 3.37Å; F210-L214 HydrophobicContact CE1-CG 4.25Å; F210-L214 HydrophobicContact CE2-CD1 4.37Å; F210-L214 HydrophobicContact CZ-CD1 3.6Å; F210-L214 HydrophobicContact CZ-CD2 4.45Å; F210-L214 HydrophobicContact CZ-CG 4.21Å; F210-L214 WeakPolarHBondContact O-CG 3.45Å; F210-L214 PolarHBondContact O-N 3.02Å
211S91.8Very high88.8Confident61 Ų6162.7 Ų62.743%0.42735%0.351SS..Hα-helixtrans-60.6-43.8175.5-570000111S207 M208 L209 L214 V215S207-S211 WeakPolarHBondContact O-CB 3.49Å; S207-S211 PolarHBondContact O-N 3.38Å; S207-S211 PolarHBondContact O-OG 2.89Å; M208-S211 PolarHBondContact O-N 3.03Å; L209-S211 VanDerWaalsContact C-N 3.31Å; L209-S211 PolarHBondContact O-N 3.32Å; S211-L214 PolarHBondContact O-N 3.44Å; S211-V215 WeakPolarHBondContact O-CG2 3.5Å; S211-V215 PolarHBondContact O-N 2.89Å
212L91.7Very high88.9Confident24 Ų2460.6 Ų60.613%0.12634%0.339CS..Hα-helixtrans-61.4-46.4177.2-73.2169.1000112.1H171 A174 V175 M178 M208 L209 F210 L214 V215 P216H171-L212 PolarHBondContact CD2-O 3.08Å; H171-L212 VanDerWaalsContact CD2-O 3.26Å; H171-L212 PolarHBondContact NE2-O 3.36Å; A174-L212 HydrophobicContact CB-CD1 4.3Å; A174-L212 HydrophobicContact CB-CD2 3.9Å; V175-L212 HydrophobicContact CG2-CB 4.25Å; M178-L212 HydrophobicContact CG-CD1 3.53Å; M178-L212 HydrophobicContact SD-CD1 4.46Å; M208-L212 HydrophobicContact CG-CD1 4.37Å; M208-L212 WeakPolarHBondContact O-CG 3.28Å; M208-L212 PolarHBondContact O-N 3.18Å; L209-L212 WeakPolarHBondContact O-CB 3.23Å; L209-L212 PolarHBondContact O-N 3.39Å; F210-L212 VanDerWaalsContact C-N 3.31Å; F210-L212 PolarHBondContact O-N 3.05Å; L212-L214 PolarHBondContact O-N 2.87Å; L212-L214 VanDerWaalsContact O-N 3.14Å; L212-V215 WeakPolarHBondContact O-CB 3.44Å; L212-V215 PolarHBondContact O-N 3.48Å; L212-P216 WeakPolarHBondContact O-CD 3.29Å
213Y93.1Very high88.9Confident40 Ų4058.4 Ų58.416%0.15733%0.327CS..Hα-helixtrans-59.7-24.5176.4-68.4-16000113.8V175 L209 F210 W505 D509 S512 A513V175-Y213 HydrophobicContact CG1-CE1 3.79Å; V175-Y213 HydrophobicContact CG2-CD1 4.15Å; V175-Y213 HydrophobicContact CG2-CE1 4.18Å; L209-Y213 HydrophobicContact CD1-CD1 4.48Å; L209-Y213 HydrophobicContact CD1-CE1 3.78Å; L209-Y213 HydrophobicContact CD1-CE2 4.24Å; L209-Y213 HydrophobicContact CD2-CE2 4.1Å; L209-Y213 HydrophobicContact CG-CD2 4.38Å; L209-Y213 HydrophobicContact CG-CE1 4.25Å; L209-Y213 HydrophobicContact CG-CE2 3.84Å; L209-Y213 PolarHBondContact O-N 2.67Å; F210-Y213 PolarHBondContact O-N 3.23Å; Y213-W505 WeakPolarHBondContact O-CZ2 3.43Å; Y213-W505 PolarHBondContact O-NE1 2.9Å; Y213-D509 WeakPolarHBondContact CB-OD2 3.5Å; Y213-D509 HydrophobicContact CD1-CB 4.02Å; Y213-D509 VanDerWaalsContact CD1-OD1 3.3Å; Y213-D509 WeakPolarHBondContact CD1-OD1 3.41Å; Y213-D509 WeakPolarHBondContact CD1-OD2 3.43Å; Y213-D509 HydrophobicContact CE1-CB 3.98Å; Y213-D509 HydrophobicContact CG-CB 4.47Å; Y213-D509 PolarHBondContact OH-O 3.3Å; Y213-S512 PolarHBondContact OH-OG 2.98Å; Y213-A513 PolarHBondContact OH-N 3.31Å
214L91.2Very high88.9Confident77 Ų7757.5 Ų57.540%0.40332%0.315SS..Hα-helixtrans-88.9-14.8176-64.8-178.2000113.9F210 S211 L212 P216 L217F210-L214 HydrophobicContact CD1-CD1 4Å; F210-L214 HydrophobicContact CE1-CD1 3.37Å; F210-L214 HydrophobicContact CE1-CG 4.25Å; F210-L214 HydrophobicContact CE2-CD1 4.37Å; F210-L214 HydrophobicContact CZ-CD1 3.6Å; F210-L214 HydrophobicContact CZ-CD2 4.45Å; F210-L214 HydrophobicContact CZ-CG 4.21Å; F210-L214 WeakPolarHBondContact O-CG 3.45Å; F210-L214 PolarHBondContact O-N 3.02Å; S211-L214 PolarHBondContact O-N 3.44Å; L212-L214 PolarHBondContact O-N 2.87Å; L212-L214 VanDerWaalsContact O-N 3.14Å; L214-P216 VanDerWaalsContact C-CD 3.45Å; L214-P216 VanDerWaalsContact C-N 3.34Å; L214-L217 HydrophobicContact CD2-CD1 3.86Å; L214-L217 WeakPolarHBondContact O-CB 3.36Å; L214-L217 PolarHBondContact O-N 2.92Å; L214-L217 VanDerWaalsContact O-N 3.16Å
215V88.5Confident88.8Confident68 Ų6853.5 Ų53.541%0.41229%0.292SS..G310 helixtrans-54.3-43.6-178.9173.40000112.4S211 L212 L217 G218 M219S211-V215 WeakPolarHBondContact O-CG2 3.5Å; S211-V215 PolarHBondContact O-N 2.89Å; L212-V215 WeakPolarHBondContact O-CB 3.44Å; L212-V215 PolarHBondContact O-N 3.48Å; V215-L217 PolarHBondContact O-N 3.18Å; V215-L217 VanDerWaalsContact O-N 3.11Å; V215-G218 PolarHBondContact O-N 3.38Å; V215-M219 HydrophobicContact CG1-CE 4.1Å; V215-M219 HydrophobicContact CG1-CG 4.13Å; V215-M219 HydrophobicContact CG1-SD 4.2Å; V215-M219 WeakPolarHBondContact O-CG 3.4Å; V215-M219 PolarHBondContact O-N 3.42Å
216P87.8Confident88.8Confident6 Ų657.9 Ų57.94%0.03931%0.313CS..G310 helixtrans-57.8-25.9-179.5-28.739.3000115.3H171 L212 L214 G218 M219 Y501 W505H171-P216 WeakPolarHBondContact NE2-CG 3.4Å; L212-P216 WeakPolarHBondContact O-CD 3.29Å; L214-P216 VanDerWaalsContact C-CD 3.45Å; L214-P216 VanDerWaalsContact C-N 3.34Å; P216-G218 PolarHBondContact O-N 3.43Å; P216-M219 VanDerWaalsContact CA-CE 3.43Å; P216-M219 HydrophobicContact CB-CE 3.78Å; P216-M219 HydrophobicContact CG-CE 3.59Å; P216-M219 PolarHBondContact O-N 2.79Å; P216-Y501 WeakPolarHBondContact CB-OH 3.29Å; P216-Y501 PolarHBondContact O-OH 3.2Å; P216-W505 HydrophobicContact CB-CD2 3.4Å; P216-W505 HydrophobicContact CB-CE3 3.68Å; P216-W505 HydrophobicContact CB-CG 3.81Å; P216-W505 HydrophobicContact CB-CH2 4.26Å; P216-W505 HydrophobicContact CB-CZ2 3.98Å; P216-W505 HydrophobicContact CB-CZ3 4.1Å; P216-W505 HydrophobicContact CG-CD2 3.82Å; P216-W505 HydrophobicContact CG-CG 3.82Å; P216-W505 HydrophobicContact CG-CZ2 4.33Å
217L85.3Confident88.5Confident126 Ų12657.7 Ų57.766%0.6632%0.324SS*.G310 helixtrans-65.1-26.4174.7-68170.5000113.2L214 V215 W505L214-L217 HydrophobicContact CD2-CD1 3.86Å; L214-L217 WeakPolarHBondContact O-CB 3.36Å; L214-L217 PolarHBondContact O-N 2.92Å; L214-L217 VanDerWaalsContact O-N 3.16Å; V215-L217 PolarHBondContact O-N 3.18Å; V215-L217 VanDerWaalsContact O-N 3.11Å; L217-W505 HydrophobicContact CD1-CH2 4.46Å; L217-W505 HydrophobicContact CD2-CH2 3.48Å; L217-W505 VanDerWaalsContact CD2-CH2 3.48Å; L217-W505 HydrophobicContact CD2-CZ3 4.02Å; L217-W505 HydrophobicContact CG-CH2 3.57Å; L217-W505 HydrophobicContact CG-CZ2 4.21Å; L217-W505 HydrophobicContact CG-CZ3 4.41Å
218G80.6Confident88.1Confident71 Ų7158.3 Ų58.373%0.73234%0.342SS*.G310 helixtrans-97.6-1.1179.300000114.1V215 P216V215-G218 PolarHBondContact O-N 3.38Å; P216-G218 PolarHBondContact O-N 3.43Å
219M80.8Confident88Confident35 Ų3557.3 Ų57.317%0.17234%0.341CS..  trans-86.1125.4-178.1-64.8-160.4-9500110.6A167 H171 V215 P216 Y501A167-M219 VanDerWaalsContact C-SD 3.53Å; A167-M219 HydrophobicContact CB-CG 4.25Å; A167-M219 HydrophobicContact CB-SD 3.26Å; A167-M219 WeakPolarHBondContact CB-SD 3.23Å; H171-M219 HydrophobicContact CB-CE 3.64Å; V215-M219 HydrophobicContact CG1-CE 4.1Å; V215-M219 HydrophobicContact CG1-CG 4.13Å; V215-M219 HydrophobicContact CG1-SD 4.2Å; V215-M219 WeakPolarHBondContact O-CG 3.4Å; V215-M219 PolarHBondContact O-N 3.42Å; P216-M219 VanDerWaalsContact CA-CE 3.43Å; P216-M219 HydrophobicContact CB-CE 3.78Å; P216-M219 HydrophobicContact CG-CE 3.59Å; P216-M219 PolarHBondContact O-N 2.79Å; M219-Y501 WeakPolarHBondContact CE-OH 3.18Å
220Y78.3Confident88Confident126 Ų12659 Ų5949%0.49435%0.35SS..  trans-123.9116.8173.4179.3-89.3000109.1P222 Q443Y220-P222 HydrophobicContact CE1-CG 4.48Å; Y220-Q443 PolarHBondContact OH-OE1 3.46Å
221S85.6Confident87.8Confident7 Ų754.8 Ų54.85%0.04934%0.342CS..  trans-120.4130.5175.1171.50000110.1Q164 C223 I224Q164-S221 WeakPolarHBondContact O-CB 3.36Å; Q164-S221 PolarHBondContact O-OG 2.95Å; S221-C223 PolarHBondContact O-N 3.32Å; S221-C223 VanDerWaalsContact O-N 3.15Å; S221-C223 PolarHBondContact OG-N 3.06Å; S221-I224 PolarHBondContact O-N 3.48Å; S221-I224 VanDerWaalsContact O-N 3.11Å
222P87.2Confident87.9Confident2 Ų257.7 Ų57.71%0.01336%0.36CS..THydrogen-bonded Turntrans-60.4-18.5170.1-2234.2000113.9Y220 K225 Q443 L469 C472 A473Y220-P222 HydrophobicContact CE1-CG 4.48Å; P222-K225 VanDerWaalsContact O-CD 3.28Å; P222-K225 WeakPolarHBondContact O-CD 3.47Å; P222-K225 VanDerWaalsContact O-CE 3.27Å; P222-K225 WeakPolarHBondContact O-CE 3.44Å; P222-K225 VanDerWaalsContact O-CG 3.3Å; P222-K225 WeakPolarHBondContact O-CG 3.38Å; P222-Q443 HydrophobicContact CB-CB 4.32Å; P222-Q443 HydrophobicContact CG-CB 4.35Å; P222-L469 HydrophobicContact CB-CD1 4.48Å; P222-L469 HydrophobicContact CG-CD1 4.1Å; P222-C472 HydrophobicContact CB-CB 4.03Å; P222-C472 WeakPolarHBondContact O-CB 3.28Å; P222-A473 HydrophobicContact CB-CB 4.36Å
223C89.2Confident88.1Confident1 Ų158.8 Ų58.81%0.00737%0.372CS..THydrogen-bonded Turntrans-90.1-2.5178.7-66.30000113.6S221 K225 C472 F494 M496S221-C223 PolarHBondContact O-N 3.32Å; S221-C223 VanDerWaalsContact O-N 3.15Å; S221-C223 PolarHBondContact OG-N 3.06Å; C223-K225 PolarHBondContact O-N 3.08Å; C223-C472 WeakPolarHBondContact CA-SG 3.23Å; C223-C472 HydrophobicContact CB-CB 3.88Å; C223-C472 WeakPolarHBondContact CB-SG 3.46Å; C223-C472 WeakPolarHBondContact SG-CB 3.14Å; C223-C472 CovalentContact SG-SG 2.04Å; C223-C472 PolarHBondContact SG-SG 3.46Å; C223-F494 HydrophobicContact CB-CD1 3.71Å; C223-F494 HydrophobicContact CB-CE1 4.15Å; C223-F494 WeakPolarHBondContact CB-O 3.45Å; C223-F494 PolarHBondContact SG-O 2.9Å; C223-M496 PolarHBondContact O-N 3.19Å; C223-M496 VanDerWaalsContact O-N 3.14Å
224I89.6Confident88.2Confident35 Ų3557 Ų5718%0.17937%0.366CS..BIsolated β-bridgetrans-88.399.4165.7-61.6168.1000107.1S221 M496 P498 Y501S221-I224 PolarHBondContact O-N 3.48Å; S221-I224 VanDerWaalsContact O-N 3.11Å; I224-M496 CarbonylContact C-O 3.5Å; I224-M496 VanDerWaalsContact CA-O 3.22Å; I224-M496 WeakPolarHBondContact CA-O 3.28Å; I224-P498 HydrophobicContact CG2-CB 4.37Å; I224-P498 HydrophobicContact CG2-CG 4.07Å; I224-Y501 HydrophobicContact CD1-CD1 4.1Å; I224-Y501 HydrophobicContact CD1-CD2 3.66Å; I224-Y501 HydrophobicContact CD1-CE1 4.26Å; I224-Y501 HydrophobicContact CD1-CE2 3.84Å; I224-Y501 HydrophobicContact CD1-CG 3.78Å; I224-Y501 HydrophobicContact CG1-CD2 4.45Å; I224-Y501 HydrophobicContact CG1-CG 4.48Å
225K89.1Confident88.5Confident34 Ų3455.1 Ų55.115%0.14836%0.361CS..  trans-141.2148.3-169.1-85.5-175163.4-169.30112.2P222 C223 C472 L495 M496 T497P222-K225 VanDerWaalsContact O-CD 3.28Å; P222-K225 WeakPolarHBondContact O-CD 3.47Å; P222-K225 VanDerWaalsContact O-CE 3.27Å; P222-K225 WeakPolarHBondContact O-CE 3.44Å; P222-K225 VanDerWaalsContact O-CG 3.3Å; P222-K225 WeakPolarHBondContact O-CG 3.38Å; C223-K225 PolarHBondContact O-N 3.08Å; K225-C472 WeakPolarHBondContact CE-O 3.29Å; K225-C472 PolarHBondContact NZ-O 3.45Å; K225-L495 HydrophobicContact CB-CD1 4.41Å; K225-M496 PolarHBondContact N-O 3.47Å; K225-T497 WeakPolarHBondContact O-CA 3.39Å
226E90.7Very high89Confident108 Ų10852.3 Ų52.351%0.50534%0.343SS..  trans-61144.1173-67.2-59.1157.900111.3G228 T229 P498E226-G228 PolarHBondContact O-N 3.24Å; E226-T229 HydrophobicContact CB-CG2 3.72Å; E226-T229 WeakPolarHBondContact O-CB 3.42Å; E226-T229 PolarHBondContact O-N 3.41Å; E226-T229 VanDerWaalsContact O-N 3.12Å; E226-T229 PolarHBondContact O-OG1 3.09Å; E226-P498 WeakPolarHBondContact OE1-CG 3.18Å
227A86.3Confident89.5Confident84 Ų8452.2 Ų52.269%0.69434%0.342SS*.THydrogen-bonded Turntrans-57.2132.2179.600000110.8T229 T497A227-T229 VanDerWaalsContact C-N 3.31Å; A227-T229 PolarHBondContact O-N 2.98Å; A227-T497 HydrophobicContact CB-CG2 4.3Å
228G85.1Confident90.1Very high84 Ų8446.2 Ų46.287%0.86631%0.311SS*.THydrogen-bonded Turntrans79.12.7-179.700000115.8E226E226-G228 PolarHBondContact O-N 3.24Å
229T90Very high90.9Very high77 Ų7743.7 Ų43.747%0.47228%0.28SS..  trans-93.70.8175.866.40000114.2E226 A227 G231E226-T229 HydrophobicContact CB-CG2 3.72Å; E226-T229 WeakPolarHBondContact O-CB 3.42Å; E226-T229 PolarHBondContact O-N 3.41Å; E226-T229 VanDerWaalsContact O-N 3.12Å; E226-T229 PolarHBondContact O-OG1 3.09Å; A227-T229 VanDerWaalsContact C-N 3.31Å; A227-T229 PolarHBondContact O-N 2.98Å; T229-G231 PolarHBondContact O-N 3.17Å
230L91.5Very high91.7Very high48 Ų4843.5 Ų43.525%0.25128%0.277SS..  trans-71.8125.2174-173.168.6000109.4W471 P492 L495L230-W471 HydrophobicContact CD1-CG 4.33Å; L230-W471 HydrophobicContact CD2-CD2 4.47Å; L230-W471 HydrophobicContact CD2-CZ2 3.92Å; L230-P492 HydrophobicContact CD1-CG 4.25Å; L230-P492 HydrophobicContact CD2-CG 3.59Å; L230-L495 HydrophobicContact CD2-CD2 4.14Å
231G90.9Very high92.6Very high37 Ų3737.5 Ų37.538%0.38125%0.254SS..  trans-70179.3174.200000112.7T229 W471T229-G231 PolarHBondContact O-N 3.17Å; G231-W471 PolarHBondContact O-NE1 3.08Å
232P93.8Very high93.1Very high122 Ų12237.1 Ų37.179%0.79225%0.252SS*.PPolyproline II helixtrans-60158.117329-35.5000111.2W471P232-W471 PolarHBondContact O-NE1 3.06Å; P232-W471 VanDerWaalsContact O-NE1 3.14Å
233A95.2Very high93.5Very high46 Ų4637.2 Ų37.238%0.3825%0.252SS..PPolyproline II helixtrans-60.3139.8173.900000110.4A235 W471A233-A235 PolarHBondContact O-N 3.48Å; A233-W471 HydrophobicContact CB-CD2 4.25Å; A233-W471 HydrophobicContact CB-CE3 4.34Å; A233-W471 HydrophobicContact CB-CH2 3.83Å; A233-W471 HydrophobicContact CB-CZ2 3.75Å; A233-W471 HydrophobicContact CB-CZ3 4.13Å
234P96.6Very high93.8Very high4 Ų438.5 Ų38.53%0.02626%0.258CS..PPolyproline II helixtrans-59.3134.8174.9-19.929.5000110.6Y467 W471 A475 Q476 V478P234-Y467 HydrophobicContact CB-CE2 4.06Å; P234-Y467 HydrophobicContact CG-CE2 4.03Å; P234-Y467 PolarHBondContact O-OH 3.22Å; P234-W471 HydrophobicContact CG-CB 3.84Å; P234-W471 HydrophobicContact CG-CG 4.28Å; P234-A475 WeakPolarHBondContact CG-O 3.21Å; P234-Q476 WeakPolarHBondContact CA-O 3.25Å; P234-V478 HydrophobicContact CB-CG1 4.12Å
235A97.1Very high94.1Very high36 Ų3638.2 Ų38.230%0.29826%0.257SS..EExtended strand (participates in β ladder)trans-61.8142173.400000110.6A233 E262 Q476 S477 V478A233-A235 PolarHBondContact O-N 3.48Å; A235-E262 HydrophobicContact CB-CB 4.21Å; A235-E262 HydrophobicContact CB-CG 4.44Å; A235-Q476 PolarHBondContact N-O 3.41Å; A235-S477 CarbonylContact O-C 3.31Å; A235-S477 WeakPolarHBondContact O-CA 3.37Å; A235-S477 VanDerWaalsContact O-CB 3.24Å; A235-S477 WeakPolarHBondContact O-CB 3.25Å; A235-V478 PolarHBondContact O-N 3.06Å
236L98.1Very high94.4Very high9 Ų936.6 Ų36.65%0.04725%0.25CS..EExtended strand (participates in β ladder)trans-94.9125.4179.3-57.4178.3000110.2G261 E262 G263 Y467 V478 T480 V483 L486L236-G261 CarbonylContact O-C 3.48Å; L236-G261 WeakPolarHBondContact O-CA 3.45Å; L236-E262 PolarHBondContact O-N 3.37Å; L236-G263 PolarHBondContact O-N 3.39Å; L236-Y467 HydrophobicContact CD2-CD2 4.2Å; L236-Y467 HydrophobicContact CD2-CE2 3.59Å; L236-V478 HydrophobicContact CD2-CG2 3.49Å; L236-V478 VanDerWaalsContact CD2-CG2 3.49Å; L236-T480 HydrophobicContact CB-CG2 4.44Å; L236-T480 HydrophobicContact CD2-CG2 4.39Å; L236-V483 HydrophobicContact CB-CG2 4.05Å; L236-V483 HydrophobicContact CD1-CG2 4.07Å; L236-L486 HydrophobicContact CD1-CB 3.97Å; L236-L486 HydrophobicContact CD2-CB 3.96Å; L236-L486 HydrophobicContact CD2-CD1 4.31Å
237I98.2Very high94.7Very high4 Ų431.5 Ų31.52%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-107120.9171.6-56.1-178.5000107.5H239 G263 E265 V478 T479 T480I237-H239 PolarHBondContact O-N 2.93Å; I237-G263 CarbonylContact C-O 3.55Å; I237-G263 WeakPolarHBondContact CA-O 3.21Å; I237-E265 HydrophobicContact CG2-CB 3.69Å; I237-V478 PolarHBondContact N-O 3.37Å; I237-T479 CarbonylContact O-C 3.6Å; I237-T479 VanDerWaalsContact O-CA 3.25Å; I237-T479 WeakPolarHBondContact O-CA 3.25Å; I237-T480 PolarHBondContact O-N 2.71Å
238G98.1Very high95.3Very high0 Ų028.1 Ų28.10%020%0.196CC..EExtended strand (participates in β ladder)trans-70.8109.7-179.700000111.5R240 G241 G263 E265G238-R240 PolarHBondContact O-N 2.96Å; G238-G241 CarbonylContact C-O 3.58Å; G238-G241 WeakPolarHBondContact CA-O 3.29Å; G238-G241 PolarHBondContact O-N 3.06Å; G238-G263 PolarHBondContact N-O 2.98Å; G238-E265 PolarHBondContact O-N 2.84Å
239H97.8Very high95.9Very high19 Ų1924.5 Ų24.59%0.08816%0.157CC..THydrogen-bonded Turntrans-66.4112.9177.8-177.4-124000109.7I237 G241 P243 E265 V460 T479 T480 N481I237-H239 PolarHBondContact O-N 2.93Å; H239-G241 PolarHBondContact N-O 3.4Å; H239-G241 PolarHBondContact O-N 2.96Å; H239-G241 VanDerWaalsContact O-N 3.16Å; H239-P243 WeakPolarHBondContact O-CD 3.48Å; H239-P243 VanDerWaalsContact O-CG 3.28Å; H239-P243 WeakPolarHBondContact O-CG 3.41Å; H239-E265 WeakPolarHBondContact CA-OE2 3.34Å; H239-E265 IonicContact CD2-OE2 3.36Å; H239-E265 PolarHBondContact CD2-OE2 2.77Å; H239-E265 IonicContact CG-OE2 3.75Å; H239-E265 IonicContact NE2-OE2 2.64Å; H239-V460 HydrophobicContact CB-CG1 4.11Å; H239-T479 HydrophobicContact CB-CG2 3.48Å; H239-T479 VanDerWaalsContact CB-CG2 3.48Å; H239-T480 WeakPolarHBondContact CB-O 3.39Å; H239-T480 PolarHBondContact N-O 2.82Å; H239-N481 PolarHBondContact ND1-OD1 3.33Å
240R97.8Very high96.3Very high30 Ų3020.9 Ų20.911%0.11314%0.135CC..THydrogen-bonded Turntrans53.332-172.8-50.8178.2-164.4164.114112.7G238 E248 N249 S253 E265 D267 H280G238-R240 PolarHBondContact O-N 2.96Å; R240-E248 HydrophobicContact CB-CB 3.91Å; R240-E248 WeakPolarHBondContact CD-OE1 3.3Å; R240-E248 IonicContact CZ-OE1 3.61Å; R240-E248 IonicContact NE-OE1 3.58Å; R240-E248 IonicContact NH1-OE1 3.57Å; R240-E248 PolarHBondContact NH1-OE1 2.97Å; R240-N249 WeakPolarHBondContact CA-OD1 3.44Å; R240-N249 WeakPolarHBondContact CB-OD1 3.47Å; R240-N249 PolarHBondContact O-N 2.86Å; R240-S253 PolarHBondContact O-OG 3.15Å; R240-E265 WeakPolarHBondContact CA-O 3.47Å; R240-E265 PolarHBondContact N-O 2.8Å; R240-E265 PolarHBondContact N-OE2 2.75Å; R240-D267 IonicContact NE-OD2 3.33Å; R240-D267 PolarHBondContact NE-OD2 2.83Å; R240-H280 PolarHBondContact NH1-ND1 2.75Å; R240-H280 PolarHBondContact NH2-CD2 3.41Å; R240-H280 PolarHBondContact NH2-CE1 3.02Å; R240-H280 PolarHBondContact NH2-NE2 3.46Å
241G97.3Very high96.6Very high0 Ų020.8 Ų20.80%013%0.134CC..SBendtrans85.2-126.6-168.400000113.2G238 H239 P243 S253 E265G238-G241 CarbonylContact C-O 3.58Å; G238-G241 WeakPolarHBondContact CA-O 3.29Å; G238-G241 PolarHBondContact O-N 3.06Å; H239-G241 PolarHBondContact N-O 3.4Å; H239-G241 PolarHBondContact O-N 2.96Å; H239-G241 VanDerWaalsContact O-N 3.16Å; G241-P243 VanDerWaalsContact C-CD 3.46Å; G241-P243 WeakPolarHBondContact O-CD 3.47Å; G241-S253 CarbonylContact C-O 3.52Å; G241-S253 WeakPolarHBondContact CA-O 3.31Å; G241-S253 WeakPolarHBondContact CA-OG 3.42Å; G241-E265 PolarHBondContact N-O 3.43Å
242A96.6Very high96.9Very high0 Ų019 Ų190%012%0.116CC..  trans-120.272.7178.700000110.7M244 L245 A246 S253 K256 A257 V483A242-M244 PolarHBondContact O-N 3.21Å; A242-M244 VanDerWaalsContact O-N 3.1Å; A242-L245 HydrophobicContact CB-CB 4.27Å; A242-L245 HydrophobicContact CB-CD1 4.37Å; A242-L245 PolarHBondContact O-N 3.36Å; A242-A246 PolarHBondContact O-N 2.87Å; A242-S253 PolarHBondContact N-O 3.26Å; A242-S253 PolarHBondContact N-OG 3.32Å; A242-K256 HydrophobicContact CB-CB 3.84Å; A242-A257 HydrophobicContact CB-CB 4.15Å; A242-V483 HydrophobicContact CB-CG1 3.92Å
243P95.3Very high97.1Very high4 Ų413.2 Ų13.23%0.0268%0.078CC..THydrogen-bonded Turntrans-68.9-12.7-169.527.4-36.5000114.1H239 G241 A246 E248 F319 F325 N481H239-P243 WeakPolarHBondContact O-CD 3.48Å; H239-P243 VanDerWaalsContact O-CG 3.28Å; H239-P243 WeakPolarHBondContact O-CG 3.41Å; G241-P243 VanDerWaalsContact C-CD 3.46Å; G241-P243 WeakPolarHBondContact O-CD 3.47Å; P243-A246 CarbonylContact C-O 3.56Å; P243-A246 VanDerWaalsContact CA-O 3.25Å; P243-A246 WeakPolarHBondContact CA-O 3.04Å; P243-E248 HydrophobicContact CB-CB 3.9Å; P243-F319 VanDerWaalsContact O-CE2 3.3Å; P243-F319 WeakPolarHBondContact O-CE2 3.26Å; P243-F325 HydrophobicContact CB-CE2 3.97Å; P243-F325 HydrophobicContact CB-CZ 4.43Å; P243-F325 WeakPolarHBondContact O-CD2 3.47Å; P243-F325 VanDerWaalsContact O-CE2 3.29Å; P243-F325 WeakPolarHBondContact O-CE2 3.47Å; P243-N481 HydrophobicContact CG-CB 3.74Å; P243-N481 WeakPolarHBondContact CG-OD1 3.48Å
244M95Very high97.2Very high27 Ų2711 Ų1113%0.1336%0.06CC..THydrogen-bonded Turntrans-79.7-15.8167.7-71.2-172.474.900113.7A242 F325 T327 N481 S482 I485A242-M244 PolarHBondContact O-N 3.21Å; A242-M244 VanDerWaalsContact O-N 3.1Å; M244-F325 HydrophobicContact CB-CG 4.46Å; M244-F325 HydrophobicContact CE-CB 4.29Å; M244-F325 HydrophobicContact CG-CB 3.96Å; M244-F325 HydrophobicContact CG-CD1 3.77Å; M244-F325 HydrophobicContact CG-CD2 4.03Å; M244-F325 HydrophobicContact CG-CE1 4.26Å; M244-F325 HydrophobicContact CG-CG 3.65Å; M244-T327 HydrophobicContact CB-CG2 4.34Å; M244-T327 HydrophobicContact CE-CG2 3.9Å; M244-T327 WeakPolarHBondContact O-CB 3.38Å; M244-T327 WeakPolarHBondContact O-CG2 3.33Å; M244-T327 PolarHBondContact O-OG1 2.82Å; M244-N481 WeakPolarHBondContact CB-O 3.06Å; M244-N481 HydrophobicContact CG-CB 4.19Å; M244-N481 WeakPolarHBondContact CG-O 3.48Å; M244-S482 WeakPolarHBondContact SD-CB 3.45Å; M244-I485 HydrophobicContact CE-CD1 4Å; M244-I485 HydrophobicContact SD-CD1 4.41Å
245L95.1Very high97.2Very high30 Ų3015.1 Ų15.116%0.1578%0.079CC..THydrogen-bonded Turntrans-112.1-22.7-178.6-63.2-179.5000113.1A242 K256 L331 H484A242-L245 HydrophobicContact CB-CB 4.27Å; A242-L245 HydrophobicContact CB-CD1 4.37Å; A242-L245 PolarHBondContact O-N 3.36Å; L245-K256 HydrophobicContact CB-CB 4.46Å; L245-K256 HydrophobicContact CB-CG 4.46Å; L245-K256 HydrophobicContact CD1-CB 4.37Å; L245-L331 WeakPolarHBondContact O-CD2 3.49Å; L245-H484 HydrophobicContact CD1-CB 3.83Å
246A96.6Very high97.2Very high0 Ų015.1 Ų15.10%07%0.072CC..SBendtrans-151.9164.6-175.600000110.5A242 P243 E248 M252A242-A246 PolarHBondContact O-N 2.87Å; P243-A246 CarbonylContact C-O 3.56Å; P243-A246 VanDerWaalsContact CA-O 3.25Å; P243-A246 WeakPolarHBondContact CA-O 3.04Å; A246-E248 PolarHBondContact O-N 3.44Å; A246-M252 HydrophobicContact CB-CB 4.27Å; A246-M252 HydrophobicContact CB-CE 4.14Å; A246-M252 HydrophobicContact CB-CG 3.77Å; A246-M252 HydrophobicContact CB-SD 3.9Å
247P97.3Very high97.2Very high0 Ų014.7 Ų14.70%07%0.07CC..  trans-61.9129.9178.1-14.426.7000111T250 S253 A315 W318 F319 A339 Q342P247-T250 HydrophobicContact CB-CG2 3.95Å; P247-T250 WeakPolarHBondContact O-CB 3.45Å; P247-T250 WeakPolarHBondContact O-CG2 3.2Å; P247-T250 PolarHBondContact O-OG1 2.86Å; P247-S253 WeakPolarHBondContact O-CB 3.39Å; P247-A315 WeakPolarHBondContact CB-O 3.26Å; P247-W318 HydrophobicContact CB-CZ2 4.36Å; P247-F319 HydrophobicContact CB-CB 3.85Å; P247-F319 HydrophobicContact CB-CG 4.27Å; P247-F319 HydrophobicContact CG-CB 3.78Å; P247-F319 HydrophobicContact CG-CD1 4.17Å; P247-F319 HydrophobicContact CG-CG 4.04Å; P247-A339 HydrophobicContact CG-CB 4.23Å; P247-A339 WeakPolarHBondContact CG-O 3.34Å; P247-Q342 HydrophobicContact CG-CG 4.17Å
248E97.3Very high97.1Very high13 Ų1316.2 Ų16.26%0.0618%0.079CC..THydrogen-bonded Turntrans-54.9148.3-176.974.5-172.3-109.200113.3R240 P243 A246 T250 R286 T287 W318R240-E248 HydrophobicContact CB-CB 3.91Å; R240-E248 WeakPolarHBondContact CD-OE1 3.3Å; R240-E248 IonicContact CZ-OE1 3.61Å; R240-E248 IonicContact NE-OE1 3.58Å; R240-E248 IonicContact NH1-OE1 3.57Å; R240-E248 PolarHBondContact NH1-OE1 2.97Å; P243-E248 HydrophobicContact CB-CB 3.9Å; A246-E248 PolarHBondContact O-N 3.44Å; E248-T250 VanDerWaalsContact C-N 3.29Å; E248-T250 PolarHBondContact O-N 3.45Å; E248-R286 IonicContact OE1-CZ 2.75Å; E248-R286 IonicContact OE1-NH1 3.45Å; E248-R286 PolarHBondContact OE1-NH1 3.43Å; E248-R286 IonicContact OE1-NH2 3.56Å; E248-R286 PolarHBondContact OE1-NH2 2.86Å; E248-R286 IonicContact OE2-CZ 2.82Å; E248-R286 IonicContact OE2-NH1 3.18Å; E248-R286 PolarHBondContact OE2-NH1 2.68Å; E248-R286 IonicContact OE2-NH2 2.69Å; E248-T287 HydrophobicContact CG-CG2 4.14Å; E248-W318 HydrophobicContact CG-CH2 4.44Å; E248-W318 HydrophobicContact CG-CZ2 4.04Å
249N98.1Very high96.9Very high9 Ų922.6 Ų22.65%0.04811%0.109CC..THydrogen-bonded Turntrans53.839.8179.5-72.5-33.8000113.7R240 T266 D267 L278 P345R240-N249 WeakPolarHBondContact CA-OD1 3.44Å; R240-N249 WeakPolarHBondContact CB-OD1 3.47Å; R240-N249 PolarHBondContact O-N 2.86Å; N249-T266 PolarHBondContact OD1-OG1 3.01Å; N249-D267 PolarHBondContact ND2-OD2 3.2Å; N249-L278 HydrophobicContact CB-CB 4.19Å; N249-P345 WeakPolarHBondContact O-CD 3.32Å; N249-P345 WeakPolarHBondContact O-CG 3.47Å
250T98.3Very high96.6Very high1 Ų124 Ų241%0.00612%0.121CC..SBendtrans-123.1159.4173.465.40000111.5P247 E248 M252 S253 F254 A315 Q342P247-T250 HydrophobicContact CB-CG2 3.95Å; P247-T250 WeakPolarHBondContact O-CB 3.45Å; P247-T250 WeakPolarHBondContact O-CG2 3.2Å; P247-T250 PolarHBondContact O-OG1 2.86Å; E248-T250 VanDerWaalsContact C-N 3.29Å; E248-T250 PolarHBondContact O-N 3.45Å; T250-M252 VanDerWaalsContact C-N 3.3Å; T250-M252 PolarHBondContact O-N 3.23Å; T250-S253 WeakPolarHBondContact O-CB 3.37Å; T250-S253 PolarHBondContact O-N 3.48Å; T250-S253 PolarHBondContact OG1-N 3.34Å; T250-F254 WeakPolarHBondContact O-CD2 3.21Å; T250-F254 WeakPolarHBondContact O-CE2 3.14Å; T250-F254 PolarHBondContact O-N 2.96Å; T250-F254 VanDerWaalsContact O-N 3.1Å; T250-A315 HydrophobicContact CG2-CB 4.25Å; T250-Q342 HydrophobicContact CG2-CB 3.7Å; T250-Q342 HydrophobicContact CG2-CG 4.13Å
251L98.1Very high96.4Very high46 Ų4622.7 Ų22.724%0.24112%0.117CC..Hα-helixtrans-57.5-43179.1-65.1-179.7000112.2S253 F254 E255 P345 Q349 V353L251-S253 VanDerWaalsContact C-N 3.27Å; L251-S253 PolarHBondContact O-N 2.89Å; L251-F254 PolarHBondContact O-N 3.06Å; L251-F254 VanDerWaalsContact O-N 3.14Å; L251-E255 WeakPolarHBondContact O-CG 3.26Å; L251-E255 PolarHBondContact O-N 3.44Å; L251-P345 HydrophobicContact CD2-CB 4.02Å; L251-P345 HydrophobicContact CG-CB 4.2Å; L251-Q349 HydrophobicContact CD2-CB 3.99Å; L251-V353 HydrophobicContact CD2-CG2 4.2Å
252M97.3Very high96.3Very high0 Ų028.1 Ų28.10%014%0.142CC..Hα-helixtrans-57.5-40.8174.9-177.8-172.4176.900112A246 T250 F254 E255 K256 D335 Q338 A339 Q342A246-M252 HydrophobicContact CB-CB 4.27Å; A246-M252 HydrophobicContact CB-CE 4.14Å; A246-M252 HydrophobicContact CB-CG 3.77Å; A246-M252 HydrophobicContact CB-SD 3.9Å; T250-M252 VanDerWaalsContact C-N 3.3Å; T250-M252 PolarHBondContact O-N 3.23Å; M252-F254 VanDerWaalsContact C-N 3.35Å; M252-F254 PolarHBondContact O-N 2.99Å; M252-E255 PolarHBondContact O-N 3.11Å; M252-K256 VanDerWaalsContact O-CG 3.28Å; M252-K256 WeakPolarHBondContact O-CG 3.48Å; M252-K256 PolarHBondContact O-N 2.93Å; M252-D335 HydrophobicContact CE-CB 3.88Å; M252-D335 WeakPolarHBondContact CE-O 3.49Å; M252-Q338 HydrophobicContact CB-CG 4.45Å; M252-Q338 HydrophobicContact CE-CB 4.43Å; M252-Q338 HydrophobicContact CG-CG 4.17Å; M252-Q338 HydrophobicContact SD-CB 4.02Å; M252-Q338 HydrophobicContact SD-CG 3.76Å; M252-A339 HydrophobicContact CE-CB 4.17Å; M252-A339 VanDerWaalsContact SD-CA 3.52Å; M252-A339 HydrophobicContact SD-CB 3.77Å; M252-A339 PolarHBondContact SD-N 3.43Å; M252-A339 VanDerWaalsContact SD-N 3.45Å; M252-Q342 HydrophobicContact CB-CG 4.36Å
253S97.8Very high96.3Very high0 Ų028.1 Ų28.10%014%0.142CC..Hα-helixtrans-63.7-40.2177.9-172.60000112.4R240 G241 A242 P247 T250 L251 A257R240-S253 PolarHBondContact O-OG 3.15Å; G241-S253 CarbonylContact C-O 3.52Å; G241-S253 WeakPolarHBondContact CA-O 3.31Å; G241-S253 WeakPolarHBondContact CA-OG 3.42Å; A242-S253 PolarHBondContact N-O 3.26Å; A242-S253 PolarHBondContact N-OG 3.32Å; P247-S253 WeakPolarHBondContact O-CB 3.39Å; T250-S253 WeakPolarHBondContact O-CB 3.37Å; T250-S253 PolarHBondContact O-N 3.48Å; T250-S253 PolarHBondContact OG1-N 3.34Å; L251-S253 VanDerWaalsContact C-N 3.27Å; L251-S253 PolarHBondContact O-N 2.89Å; S253-A257 WeakPolarHBondContact O-CB 3.49Å; S253-A257 PolarHBondContact O-N 2.8Å
254F98.3Very high96.4Very high0 Ų028 Ų280%014%0.141CC..Hα-helixtrans-70.8-42.1176.3-59.1-58.5000112.2T250 L251 M252 K256 A257 V258 L264 L278 P345 F350 V353T250-F254 WeakPolarHBondContact O-CD2 3.21Å; T250-F254 WeakPolarHBondContact O-CE2 3.14Å; T250-F254 PolarHBondContact O-N 2.96Å; T250-F254 VanDerWaalsContact O-N 3.1Å; L251-F254 PolarHBondContact O-N 3.06Å; L251-F254 VanDerWaalsContact O-N 3.14Å; M252-F254 VanDerWaalsContact C-N 3.35Å; M252-F254 PolarHBondContact O-N 2.99Å; F254-K256 VanDerWaalsContact C-N 3.34Å; F254-K256 PolarHBondContact O-N 3.05Å; F254-A257 PolarHBondContact O-N 2.71Å; F254-A257 VanDerWaalsContact O-N 3.09Å; F254-V258 WeakPolarHBondContact O-CG2 3.4Å; F254-V258 PolarHBondContact O-N 2.79Å; F254-L264 HydrophobicContact CB-CD1 4.25Å; F254-L264 HydrophobicContact CD1-CB 4.46Å; F254-L264 HydrophobicContact CD1-CD1 4.41Å; F254-L264 HydrophobicContact CD1-CD2 4.38Å; F254-L278 HydrophobicContact CE2-CD1 3.35Å; F254-L278 HydrophobicContact CZ-CD1 3.49Å; F254-L278 VanDerWaalsContact CZ-CD1 3.49Å; F254-P345 HydrophobicContact CE2-CG 4.32Å; F254-F350 AromaticContact CD1-CD2 3.69Å; F254-F350 HydrophobicContact CD1-CD2 3.69Å; F254-F350 AromaticContact CD1-CE2 3.58Å; F254-F350 HydrophobicContact CD1-CE2 3.58Å; F254-F350 AromaticContact CD2-CD2 3.74Å; F254-F350 HydrophobicContact CD2-CD2 3.74Å; F254-F350 HydrophobicContact CD2-CE2 4.47Å; F254-F350 AromaticContact CE1-CD2 3.57Å; F254-F350 HydrophobicContact CE1-CD2 3.57Å; F254-F350 AromaticContact CE1-CE2 3.42Å; F254-F350 HydrophobicContact CE1-CE2 3.42Å; F254-F350 VanDerWaalsContact CE1-CE2 3.42Å; F254-F350 HydrophobicContact CE2-CB 4.47Å; F254-F350 AromaticContact CE2-CD2 3.64Å; F254-F350 HydrophobicContact CE2-CD2 3.64Å; F254-F350 HydrophobicContact CE2-CE2 4.36Å; F254-F350 HydrophobicContact CE2-CG 4.44Å; F254-F350 AromaticContact CG-CD2 3.77Å; F254-F350 HydrophobicContact CG-CD2 3.77Å; F254-F350 HydrophobicContact CG-CE2 4.12Å; F254-F350 AromaticContact CZ-CD2 3.54Å; F254-F350 HydrophobicContact CZ-CD2 3.54Å; F254-F350 AromaticContact CZ-CE2 3.84Å; F254-F350 HydrophobicContact CZ-CE2 3.84Å; F254-F350 HydrophobicContact CZ-CG 4.47Å; F254-V353 HydrophobicContact CB-CG1 4.1Å
255E97.1Very high96.6Very high89 Ų8927 Ų2742%0.41614%0.137SC..Hα-helixtrans-56.2-47.7174.7-72.5168.9-18000111.2L251 M252 A257 V258 E259 Q338L251-E255 WeakPolarHBondContact O-CG 3.26Å; L251-E255 PolarHBondContact O-N 3.44Å; M252-E255 PolarHBondContact O-N 3.11Å; E255-A257 VanDerWaalsContact C-N 3.3Å; E255-A257 PolarHBondContact O-N 3Å; E255-V258 WeakPolarHBondContact O-CB 3.25Å; E255-V258 PolarHBondContact O-N 2.97Å; E255-E259 PolarHBondContact O-N 2.88Å; E255-Q338 PolarHBondContact OE2-NE2 2.85Å
256K96.2Very high96.7Very high37 Ų3725.6 Ų25.616%0.16113%0.129CC..Hα-helixtrans-63.6-34.1175.8-68.3-65.8-177.2-176.40112.8A242 L245 M252 F254 D335A242-K256 HydrophobicContact CB-CB 3.84Å; L245-K256 HydrophobicContact CB-CB 4.46Å; L245-K256 HydrophobicContact CB-CG 4.46Å; L245-K256 HydrophobicContact CD1-CB 4.37Å; M252-K256 VanDerWaalsContact O-CG 3.28Å; M252-K256 WeakPolarHBondContact O-CG 3.48Å; M252-K256 PolarHBondContact O-N 2.93Å; F254-K256 VanDerWaalsContact C-N 3.34Å; F254-K256 PolarHBondContact O-N 3.05Å; K256-D335 WeakPolarHBondContact CE-OD1 3.42Å; K256-D335 IonicContact NZ-OD1 3.92Å; K256-D335 PolarHBondContact NZ-OD1 3.46Å; K256-D335 IonicContact NZ-OD2 3.22Å
257A97.1Very high96.8Very high0 Ų026.3 Ų26.30%013%0.133CC..Hα-helixtrans-71.5-35.7176.300000112.6A242 S253 F254 E255 E259 S260 G261 L264A242-A257 HydrophobicContact CB-CB 4.15Å; S253-A257 WeakPolarHBondContact O-CB 3.49Å; S253-A257 PolarHBondContact O-N 2.8Å; F254-A257 PolarHBondContact O-N 2.71Å; F254-A257 VanDerWaalsContact O-N 3.09Å; E255-A257 VanDerWaalsContact C-N 3.3Å; E255-A257 PolarHBondContact O-N 3Å; A257-E259 PolarHBondContact O-N 3.26Å; A257-S260 PolarHBondContact O-N 3.26Å; A257-G261 WeakPolarHBondContact O-CA 3.38Å; A257-G261 PolarHBondContact O-N 3.43Å; A257-L264 HydrophobicContact CB-CD2 3.43Å; A257-L264 VanDerWaalsContact CB-CD2 3.43Å
258V96.9Very high96.8Very high36 Ų3626.3 Ų26.322%0.21813%0.133CC..Hα-helixtrans-60.5-32.5176.8167.10000112F254 E255 S260 L264 V353 S357 K359F254-V258 WeakPolarHBondContact O-CG2 3.4Å; F254-V258 PolarHBondContact O-N 2.79Å; E255-V258 WeakPolarHBondContact O-CB 3.25Å; E255-V258 PolarHBondContact O-N 2.97Å; V258-S260 PolarHBondContact O-N 3.31Å; V258-L264 HydrophobicContact CG2-CD1 4Å; V258-L264 HydrophobicContact CG2-CD2 4.25Å; V258-V353 HydrophobicContact CG2-CG1 4.05Å; V258-S357 VanDerWaalsContact CG1-CB 3.42Å; V258-K359 HydrophobicContact CG2-CG 4.28Å
259E94.6Very high96.8Very high133 Ų13325.7 Ų25.762%0.62113%0.13SC*.THydrogen-bonded Turntrans-61.1-27.9179.8-67.1174.1-169.800113.5E255 A257E255-E259 PolarHBondContact O-N 2.88Å; A257-E259 PolarHBondContact O-N 3.26Å
260S90.3Very high96.7Very high50 Ų5025.3 Ų25.335%0.3513%0.128SC..THydrogen-bonded Turntrans-138.8-9.1-171-62.40000115.4A257 V258A257-S260 PolarHBondContact O-N 3.26Å; V258-S260 PolarHBondContact O-N 3.31Å
261G93.4Very high96.7Very high1 Ų125.2 Ų25.21%0.0113%0.128CC..  trans-106.1161.6179.800000112.5L236 A257 K359L236-G261 CarbonylContact O-C 3.48Å; L236-G261 WeakPolarHBondContact O-CA 3.45Å; A257-G261 WeakPolarHBondContact O-CA 3.38Å; A257-G261 PolarHBondContact O-N 3.43Å; G261-K359 WeakPolarHBondContact O-CD 3.36Å; G261-K359 WeakPolarHBondContact O-CE 3.45Å; G261-K359 PolarHBondContact O-NZ 3.34Å
262E95.3Very high96.7Very high114 Ų11428 Ų2853%0.53314%0.136SC..SBendtrans-103.7-12.1175.7-62.6-64-177.100113.2A235 L236 K359 L360A235-E262 HydrophobicContact CB-CB 4.21Å; A235-E262 HydrophobicContact CB-CG 4.44Å; L236-E262 PolarHBondContact O-N 3.37Å; E262-K359 WeakPolarHBondContact O-CD 3.2Å; E262-K359 IonicContact OE2-NZ 3.24Å; E262-K359 PolarHBondContact OE2-NZ 2.71Å; E262-L360 PolarHBondContact O-N 3.47Å; E262-L360 VanDerWaalsContact O-N 3.11Å
263G96.8Very high96.7Very high1 Ų131.4 Ų31.41%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-144.1167.2172.300000112.4L236 I237 G238 L360L236-G263 PolarHBondContact O-N 3.39Å; I237-G263 CarbonylContact C-O 3.55Å; I237-G263 WeakPolarHBondContact CA-O 3.21Å; G238-G263 PolarHBondContact N-O 2.98Å; G263-L360 CarbonylContact C-O 3.45Å; G263-L360 WeakPolarHBondContact CA-O 3.13Å
264L98.3Very high96.7Very high1 Ų132 Ų321%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-124.5134.8176.7-58.3175.2000108.7F254 A257 V258 F350 V353 A354 K359 L360 V361 L362F254-L264 HydrophobicContact CB-CD1 4.25Å; F254-L264 HydrophobicContact CD1-CB 4.46Å; F254-L264 HydrophobicContact CD1-CD1 4.41Å; F254-L264 HydrophobicContact CD1-CD2 4.38Å; A257-L264 HydrophobicContact CB-CD2 3.43Å; A257-L264 VanDerWaalsContact CB-CD2 3.43Å; V258-L264 HydrophobicContact CG2-CD1 4Å; V258-L264 HydrophobicContact CG2-CD2 4.25Å; L264-F350 HydrophobicContact CB-CE2 3.71Å; L264-F350 HydrophobicContact CB-CZ 3.95Å; L264-F350 HydrophobicContact CD1-CE2 4.08Å; L264-V353 HydrophobicContact CD1-CG1 4.4Å; L264-A354 HydrophobicContact CD1-CB 4.06Å; L264-K359 HydrophobicContact CG-CB 4.48Å; L264-L360 PolarHBondContact N-O 2.64Å; L264-V361 WeakPolarHBondContact O-CA 3.36Å; L264-L362 PolarHBondContact O-N 2.89Å
265E98.2Very high96.7Very high7 Ų734.1 Ų34.13%0.03317%0.173CC..EExtended strand (participates in β ladder)trans-114144.4173.7-176.2-75.9159.600110I237 G238 H239 R240 G241 L362 T479I237-E265 HydrophobicContact CG2-CB 3.69Å; G238-E265 PolarHBondContact O-N 2.84Å; H239-E265 WeakPolarHBondContact CA-OE2 3.34Å; H239-E265 IonicContact CD2-OE2 3.36Å; H239-E265 PolarHBondContact CD2-OE2 2.77Å; H239-E265 IonicContact CG-OE2 3.75Å; H239-E265 IonicContact NE2-OE2 2.64Å; R240-E265 WeakPolarHBondContact CA-O 3.47Å; R240-E265 PolarHBondContact N-O 2.8Å; R240-E265 PolarHBondContact N-OE2 2.75Å; G241-E265 PolarHBondContact N-O 3.43Å; E265-L362 WeakPolarHBondContact CA-O 3.34Å; E265-L362 HydrophobicContact CB-CB 4.2Å; E265-L362 HydrophobicContact CB-CD2 4.43Å; E265-L362 HydrophobicContact CG-CB 4.17Å; E265-L362 HydrophobicContact CG-CD2 3.94Å; E265-L362 HydrophobicContact CG-CG 4.02Å; E265-T479 HydrophobicContact CB-CG2 4.11Å; E265-T479 HydrophobicContact CG-CG2 4.15Å
266T97.9Very high96.8Very high0 Ų030.2 Ų30.20%016%0.155CC..EExtended strand (participates in β ladder)trans-154.8165.6178.5-172.70000112N249 V268 L278 F350 L362 F363 D364N249-T266 PolarHBondContact OD1-OG1 3.01Å; T266-V268 HydrophobicContact CG2-CG2 4.19Å; T266-L278 HydrophobicContact CG2-CD2 3.94Å; T266-L278 WeakPolarHBondContact OG1-CD1 3.23Å; T266-L278 WeakPolarHBondContact OG1-CD2 3.38Å; T266-F350 HydrophobicContact CG2-CD1 3.92Å; T266-F350 HydrophobicContact CG2-CD2 4.39Å; T266-F350 HydrophobicContact CG2-CE1 3.45Å; T266-F350 VanDerWaalsContact CG2-CE1 3.45Å; T266-F350 HydrophobicContact CG2-CE2 3.99Å; T266-F350 HydrophobicContact CG2-CG 4.35Å; T266-F350 HydrophobicContact CG2-CZ 3.5Å; T266-L362 PolarHBondContact N-O 3.29Å; T266-L362 VanDerWaalsContact N-O 3.14Å; T266-F363 HydrophobicContact CG2-CB 3.73Å; T266-F363 CarbonylContact O-C 3.56Å; T266-F363 WeakPolarHBondContact O-CA 3.49Å; T266-F363 WeakPolarHBondContact O-CB 3.11Å; T266-D364 PolarHBondContact O-N 3.41Å
267D97.6Very high96.9Very high14 Ų1428.5 Ų28.58%0.07515%0.148CC..EExtended strand (participates in β ladder)trans-107.1132.7171.9-53.6-89.1000111.4R240 N249 L278 M279 H280R240-D267 IonicContact NE-OD2 3.33Å; R240-D267 PolarHBondContact NE-OD2 2.83Å; N249-D267 PolarHBondContact ND2-OD2 3.2Å; D267-L278 CarbonylContact O-C 3.59Å; D267-L278 WeakPolarHBondContact O-CA 3.25Å; D267-M279 VanDerWaalsContact CB-O 3.3Å; D267-M279 WeakPolarHBondContact CB-O 3.48Å; D267-M279 PolarHBondContact O-N 3.01Å; D267-H280 HydrophobicContact CB-CB 4.28Å; D267-H280 IonicContact OD1-CD2 3.73Å; D267-H280 PolarHBondContact OD1-CD2 3.45Å; D267-H280 WeakPolarHBondContact OD2-CA 3.46Å; D267-H280 VanDerWaalsContact OD2-CB 3.23Å; D267-H280 WeakPolarHBondContact OD2-CB 3Å; D267-H280 IonicContact OD2-CD2 3.61Å; D267-H280 PolarHBondContact OD2-CD2 3.03Å; D267-H280 IonicContact OD2-CG 3.8Å
268V97.9Very high96.9Very high1 Ų128.5 Ų28.51%0.00615%0.148CC..EExtended strand (participates in β ladder)trans-117.3135.7-176.2-175.80000110.9T266 P276 L278 L347 F363 D364 L365 R366T266-V268 HydrophobicContact CG2-CG2 4.19Å; V268-P276 HydrophobicContact CG1-CB 4.2Å; V268-L278 HydrophobicContact CG2-CD2 3.92Å; V268-L347 HydrophobicContact CG1-CD2 4.24Å; V268-L347 HydrophobicContact CG2-CD1 3.85Å; V268-F363 HydrophobicContact CB-CD2 4.37Å; V268-F363 HydrophobicContact CG2-CB 3.99Å; V268-F363 HydrophobicContact CG2-CD2 3.86Å; V268-F363 HydrophobicContact CG2-CG 3.99Å; V268-D364 PolarHBondContact N-O 2.94Å; V268-L365 HydrophobicContact CB-CD1 3.87Å; V268-L365 HydrophobicContact CG1-CD1 3.71Å; V268-R366 PolarHBondContact O-N 3.06Å
269T96.7Very high96.9Very high0 Ų027.1 Ų27.10%014%0.139CC..EExtended strand (participates in β ladder)trans-137179.8165.2-166.90000109.9P276 F277 M279T269-P276 CarbonylContact O-C 3.51Å; T269-P276 VanDerWaalsContact O-CA 3.31Å; T269-P276 WeakPolarHBondContact O-CA 3.42Å; T269-F277 HydrophobicContact CG2-CD1 4.03Å; T269-F277 HydrophobicContact CG2-CD2 4.24Å; T269-F277 HydrophobicContact CG2-CE1 3.41Å; T269-F277 VanDerWaalsContact CG2-CE1 3.41Å; T269-F277 HydrophobicContact CG2-CE2 3.69Å; T269-F277 HydrophobicContact CG2-CG 4.42Å; T269-F277 HydrophobicContact CG2-CZ 3.23Å; T269-F277 PolarHBondContact N-O 2.7Å; T269-F277 PolarHBondContact O-N 2.87Å; T269-M279 HydrophobicContact CG2-CB 4.27Å
270I97.9Very high97Very high0 Ų023.9 Ų23.90%012%0.124CC..EExtended strand (participates in β ladder)trans-121.8134.2-177.2-54.6-170.9000109.5P276 A303 P368 Y374 Y378 T381I270-P276 HydrophobicContact CG1-CB 4.5Å; I270-P276 HydrophobicContact CG1-CG 4.42Å; I270-A303 VanDerWaalsContact O-CA 3.29Å; I270-A303 WeakPolarHBondContact O-CA 3.46Å; I270-A303 WeakPolarHBondContact O-CB 3.33Å; I270-P368 HydrophobicContact CB-CG 4.16Å; I270-Y374 HydrophobicContact CG2-CG 4.42Å; I270-Y378 VanDerWaalsContact CD1-CA 3.41Å; I270-Y378 VanDerWaalsContact CD1-CB 3.46Å; I270-T381 HydrophobicContact CD1-CG2 4.23Å
271S97.9Very high97.2Very high0 Ų022.8 Ų22.80%011%0.114CC..  trans-70.3165.3175.468.50000111.8D273 G274 V275 A303 F305 H372S271-D273 VanDerWaalsContact CB-OD1 3.29Å; S271-D273 WeakPolarHBondContact CB-OD1 3.47Å; S271-D273 PolarHBondContact O-N 2.75Å; S271-D273 VanDerWaalsContact O-N 3.13Å; S271-D273 PolarHBondContact OG-OD1 2.86Å; S271-G274 PolarHBondContact O-N 2.79Å; S271-G274 PolarHBondContact OG-N 3.11Å; S271-V275 PolarHBondContact N-O 3.2Å; S271-V275 WeakPolarHBondContact OG-CB 3.14Å; S271-V275 PolarHBondContact OG-N 2.89Å; S271-V275 PolarHBondContact OG-O 2.81Å; S271-A303 CarbonylContact C-O 3.57Å; S271-F305 WeakPolarHBondContact CB-O 3.22Å; S271-H372 PolarHBondContact O-CE1 3.43Å; S271-H372 VanDerWaalsContact O-CE1 3.25Å; S271-H372 PolarHBondContact O-NE2 3.34Å
272Y97.6Very high97.2Very high105 Ų10526 Ų2641%0.41214%0.136SC..THydrogen-bonded Turntrans-58.4-32.7-176.8-168.6-102.9000113.3A303 M304 F305 T306 H372 P373Y272-A303 WeakPolarHBondContact CA-O 3.26Å; Y272-A303 PolarHBondContact N-O 3.42Å; Y272-M304 HydrophobicContact CD2-CE 4.14Å; Y272-M304 HydrophobicContact CD2-SD 4.24Å; Y272-M304 HydrophobicContact CE2-CE 3.93Å; Y272-M304 HydrophobicContact CE2-SD 4.46Å; Y272-F305 PolarHBondContact N-O 3.46Å; Y272-T306 HydrophobicContact CD1-CG2 4.42Å; Y272-H372 WeakPolarHBondContact CA-NE2 3.31Å; Y272-P373 HydrophobicContact CE2-CG 4.1Å
273D97.7Very high97.2Very high70 Ų7021.9 Ų21.937%0.37412%0.119SC..THydrogen-bonded Turntrans-90.6-0.9177.754.4-14000114.4S271 T306 W307 Y374S271-D273 VanDerWaalsContact CB-OD1 3.29Å; S271-D273 WeakPolarHBondContact CB-OD1 3.47Å; S271-D273 PolarHBondContact O-N 2.75Å; S271-D273 VanDerWaalsContact O-N 3.13Å; S271-D273 PolarHBondContact OG-OD1 2.86Å; D273-T306 WeakPolarHBondContact OD1-CA 3.38Å; D273-W307 PolarHBondContact OD1-N 3.18Å; D273-W307 PolarHBondContact OD2-N 2.87Å; D273-Y374 VanDerWaalsContact C-CE2 3.48Å; D273-Y374 PolarHBondContact O-OH 3.12Å; D273-Y374 VanDerWaalsContact O-OH 3.1Å
274G97.3Very high97.2Very high13 Ų1321.9 Ų21.913%0.13412%0.118CC..SBendtrans102.315.316700000116.2S271 P276 Y374 T381S271-G274 PolarHBondContact O-N 2.79Å; S271-G274 PolarHBondContact OG-N 3.11Å; G274-P276 WeakPolarHBondContact O-CD 3.36Å; G274-Y374 VanDerWaalsContact CA-CZ 3.47Å; G274-T381 WeakPolarHBondContact O-CG2 3.49Å
275V98.3Very high97Very high44 Ų4425.2 Ų25.227%0.26714%0.135SC..  trans-91.2120.4178.1-176.70000109.6S271 F277 W307S271-V275 PolarHBondContact N-O 3.2Å; S271-V275 WeakPolarHBondContact OG-CB 3.14Å; S271-V275 PolarHBondContact OG-N 2.89Å; S271-V275 PolarHBondContact OG-O 2.81Å; V275-F277 PolarHBondContact O-N 3.14Å; V275-W307 HydrophobicContact CB-CB 4.02Å; V275-W307 HydrophobicContact CB-CD2 4.28Å; V275-W307 HydrophobicContact CB-CG 4.08Å; V275-W307 HydrophobicContact CG1-CD2 3.89Å; V275-W307 HydrophobicContact CG1-CE3 4.13Å; V275-W307 HydrophobicContact CG1-CG 4.08Å; V275-W307 HydrophobicContact CG2-CB 3.78Å; V275-W307 HydrophobicContact CG2-CG 3.95Å
276P98.4Very high96.8Very high8 Ų825.8 Ų25.85%0.05214%0.137CC..EExtended strand (participates in β ladder)trans-68.1128.8171.5-21.635.5000111.1V268 T269 I270 G274 L347 T381 V385V268-P276 HydrophobicContact CG1-CB 4.2Å; T269-P276 CarbonylContact O-C 3.51Å; T269-P276 VanDerWaalsContact O-CA 3.31Å; T269-P276 WeakPolarHBondContact O-CA 3.42Å; I270-P276 HydrophobicContact CG1-CB 4.5Å; I270-P276 HydrophobicContact CG1-CG 4.42Å; G274-P276 WeakPolarHBondContact O-CD 3.36Å; P276-L347 HydrophobicContact CB-CB 3.82Å; P276-L347 HydrophobicContact CB-CD2 3.92Å; P276-L347 PolarHBondContact O-N 3.19Å; P276-T381 HydrophobicContact CG-CG2 4.07Å; P276-V385 HydrophobicContact CG-CG2 4Å
277F98.5Very high96.7Very high0 Ų026.2 Ų26.20%014%0.139CC..EExtended strand (participates in β ladder)trans-140.5164.6-177.474.8-85.9000111.9T269 V275 M279 A302 W307 I310 V344T269-F277 HydrophobicContact CG2-CD1 4.03Å; T269-F277 HydrophobicContact CG2-CD2 4.24Å; T269-F277 HydrophobicContact CG2-CE1 3.41Å; T269-F277 VanDerWaalsContact CG2-CE1 3.41Å; T269-F277 HydrophobicContact CG2-CE2 3.69Å; T269-F277 HydrophobicContact CG2-CG 4.42Å; T269-F277 HydrophobicContact CG2-CZ 3.23Å; T269-F277 PolarHBondContact N-O 2.7Å; T269-F277 PolarHBondContact O-N 2.87Å; V275-F277 PolarHBondContact O-N 3.14Å; F277-M279 HydrophobicContact CD2-CB 4.17Å; F277-M279 HydrophobicContact CE2-CB 3.69Å; F277-M279 HydrophobicContact CE2-CG 4.46Å; F277-A302 HydrophobicContact CE2-CB 4.48Å; F277-A302 HydrophobicContact CZ-CB 4.1Å; F277-W307 HydrophobicContact CB-CE3 4.16Å; F277-W307 HydrophobicContact CB-CH2 4.45Å; F277-W307 HydrophobicContact CB-CZ3 3.57Å; F277-W307 HydrophobicContact CG-CZ3 4.35Å; F277-I310 HydrophobicContact CD1-CD1 3.92Å; F277-I310 HydrophobicContact CD2-CD1 4.3Å; F277-I310 HydrophobicContact CD2-CG2 4.5Å; F277-I310 HydrophobicContact CE1-CD1 3.56Å; F277-I310 HydrophobicContact CE2-CD1 3.96Å; F277-I310 HydrophobicContact CG-CD1 4.27Å; F277-I310 HydrophobicContact CZ-CD1 3.56Å; F277-V344 HydrophobicContact CD2-CG1 3.66Å; F277-V344 HydrophobicContact CE2-CG1 4.34Å
278L98.3Very high96.6Very high0 Ų026 Ų260%014%0.138CC..EExtended strand (participates in β ladder)trans-94.5124.7-172.9-48.1-174.2000112.1N249 F254 T266 D267 V268 V344 P345 L347 F350N249-L278 HydrophobicContact CB-CB 4.19Å; F254-L278 HydrophobicContact CE2-CD1 3.35Å; F254-L278 HydrophobicContact CZ-CD1 3.49Å; F254-L278 VanDerWaalsContact CZ-CD1 3.49Å; T266-L278 HydrophobicContact CG2-CD2 3.94Å; T266-L278 WeakPolarHBondContact OG1-CD1 3.23Å; T266-L278 WeakPolarHBondContact OG1-CD2 3.38Å; D267-L278 CarbonylContact O-C 3.59Å; D267-L278 WeakPolarHBondContact O-CA 3.25Å; V268-L278 HydrophobicContact CG2-CD2 3.92Å; L278-V344 VanDerWaalsContact O-CG1 3.26Å; L278-V344 WeakPolarHBondContact O-CG1 3.26Å; L278-P345 HydrophobicContact CB-CG 4.02Å; L278-P345 HydrophobicContact CD1-CB 4.25Å; L278-P345 HydrophobicContact CD1-CG 3.5Å; L278-P345 VanDerWaalsContact CD1-CG 3.5Å; L278-P345 HydrophobicContact CG-CG 3.89Å; L278-P345 PolarHBondContact N-O 3.3Å; L278-L347 HydrophobicContact CD2-CD1 4.27Å; L278-F350 HydrophobicContact CD1-CB 3.59Å; L278-F350 HydrophobicContact CD1-CD2 4.15Å; L278-F350 HydrophobicContact CD1-CG 3.92Å; L278-F350 HydrophobicContact CD2-CB 4.46Å; L278-F350 HydrophobicContact CG-CB 4.45Å
279M97.2Very high96.6Very high7 Ų727.3 Ų27.33%0.03415%0.145CC..  trans-165.7126.6176.4-177.357.253.700110.2D267 T269 F277 D281 L284 T288 A302 V344 R366D267-M279 VanDerWaalsContact CB-O 3.3Å; D267-M279 WeakPolarHBondContact CB-O 3.48Å; D267-M279 PolarHBondContact O-N 3.01Å; T269-M279 HydrophobicContact CG2-CB 4.27Å; F277-M279 HydrophobicContact CD2-CB 4.17Å; F277-M279 HydrophobicContact CE2-CB 3.69Å; F277-M279 HydrophobicContact CE2-CG 4.46Å; M279-D281 WeakPolarHBondContact CG-O 3.35Å; M279-L284 HydrophobicContact CE-CD2 3.49Å; M279-L284 VanDerWaalsContact CE-CD2 3.49Å; M279-L284 HydrophobicContact CG-CD2 4.38Å; M279-L284 HydrophobicContact SD-CD2 4.2Å; M279-T288 HydrophobicContact CE-CG2 4.32Å; M279-A302 HydrophobicContact CG-CB 4.18Å; M279-V344 HydrophobicContact CE-CG1 4.3Å; M279-V344 HydrophobicContact CE-CG2 4.12Å; M279-R366 PolarHBondContact O-NH2 2.64Å
280H96.1Very high96.6Very high66 Ų6627.3 Ų27.331%0.30615%0.146SC..SBendtrans-75.4-47.3176.7174.4-100.8000112.3R240 D267 R366R240-H280 PolarHBondContact NH1-ND1 2.75Å; R240-H280 PolarHBondContact NH2-CD2 3.41Å; R240-H280 PolarHBondContact NH2-CE1 3.02Å; R240-H280 PolarHBondContact NH2-NE2 3.46Å; D267-H280 HydrophobicContact CB-CB 4.28Å; D267-H280 IonicContact OD1-CD2 3.73Å; D267-H280 PolarHBondContact OD1-CD2 3.45Å; D267-H280 WeakPolarHBondContact OD2-CA 3.46Å; D267-H280 VanDerWaalsContact OD2-CB 3.23Å; D267-H280 WeakPolarHBondContact OD2-CB 3Å; D267-H280 IonicContact OD2-CD2 3.61Å; D267-H280 PolarHBondContact OD2-CD2 3.03Å; D267-H280 IonicContact OD2-CG 3.8Å; H280-R366 PolarHBondContact O-NH1 3.47Å
281D94.5Very high96.4Very high27 Ų2730.2 Ų30.214%0.14417%0.169CC..SBendtrans-80.2160.5-169.9-67.88.9000112M279 T283 R286 R366M279-D281 WeakPolarHBondContact CG-O 3.35Å; D281-T283 VanDerWaalsContact CB-O 3.32Å; D281-T283 WeakPolarHBondContact CB-O 3.49Å; D281-R286 VanDerWaalsContact CG-NE 3.31Å; D281-R286 IonicContact OD1-CZ 3.8Å; D281-R286 IonicContact OD1-NE 3.06Å; D281-R286 PolarHBondContact OD1-NE 3.34Å; D281-R286 IonicContact OD1-NH2 2.71Å; D281-R286 PolarHBondContact OD1-NH2 3.43Å; D281-R286 WeakPolarHBondContact OD2-CB 3.3Å; D281-R286 WeakPolarHBondContact OD2-CD 3.49Å; D281-R286 IonicContact OD2-CZ 2.62Å; D281-R286 IonicContact OD2-NE 3.94Å; D281-R286 PolarHBondContact OD2-NE 2.82Å; D281-R286 IonicContact OD2-NH2 2.85Å; D281-R366 VanDerWaalsContact O-CZ 3.28Å; D281-R366 PolarHBondContact O-NH1 3.1Å; D281-R366 PolarHBondContact O-NH2 2.83Å
282S93.7Very high96.3Very high67 Ų6737.8 Ų37.847%0.46921%0.205SC..SBendtrans-71.3-22.3171.356.60000112.3D301 A302S282-D301 CarbonylContact O-C 3.43Å; S282-D301 WeakPolarHBondContact O-CA 3.18Å; S282-A302 PolarHBondContact O-N 2.86Å
283T95Very high96.3Very high28 Ų2835.2 Ų35.217%0.17220%0.2CC..BIsolated β-bridgetrans-123.6166.4-179.571.10000110.7D281D281-T283 VanDerWaalsContact CB-O 3.32Å; D281-T283 WeakPolarHBondContact CB-O 3.49Å
284L96.1Very high96.2Very high1 Ų133.6 Ų33.61%0.00519%0.189CC..SBendtrans-90.60.1-179.1-62.8166.7000113.1M279 R286 T288 V290 A302 F305 L313M279-L284 HydrophobicContact CE-CD2 3.49Å; M279-L284 VanDerWaalsContact CE-CD2 3.49Å; M279-L284 HydrophobicContact CG-CD2 4.38Å; M279-L284 HydrophobicContact SD-CD2 4.2Å; L284-R286 PolarHBondContact O-N 2.82Å; L284-T288 HydrophobicContact CB-CG2 4.36Å; L284-T288 HydrophobicContact CD2-CG2 4.3Å; L284-T288 WeakPolarHBondContact O-CB 3.43Å; L284-T288 PolarHBondContact O-N 3.41Å; L284-T288 PolarHBondContact O-OG1 3.06Å; L284-V290 HydrophobicContact CB-CB 3.88Å; L284-V290 HydrophobicContact CB-CG1 3.89Å; L284-V290 HydrophobicContact CB-CG2 4.13Å; L284-A302 HydrophobicContact CD1-CB 4.44Å; L284-A302 HydrophobicContact CD2-CB 3.78Å; L284-A302 HydrophobicContact CG-CB 3.81Å; L284-F305 HydrophobicContact CD1-CD1 4.32Å; L284-F305 HydrophobicContact CD1-CD2 3.68Å; L284-F305 HydrophobicContact CD1-CE1 4.46Å; L284-F305 HydrophobicContact CD1-CE2 3.83Å; L284-F305 HydrophobicContact CD1-CG 3.93Å; L284-F305 HydrophobicContact CD1-CZ 4.21Å; L284-L313 HydrophobicContact CB-CD1 4.31Å; L284-L313 HydrophobicContact CD1-CD1 3.63Å; L284-L313 HydrophobicContact CG-CD1 4.36Å
285M93.6Very high96.1Very high71 Ų7136.6 Ų36.635%0.3521%0.207SC..THydrogen-bonded Turntrans-65.4-37.8-170.5-77.7-148.3-61.200114.7V290 T298M285-V290 HydrophobicContact CG-CG1 4.15Å; M285-T298 VanDerWaalsContact CG-O 3.25Å; M285-T298 WeakPolarHBondContact CG-O 3.43Å
286R93.6Very high96Very high20 Ų2042.2 Ų42.28%0.07524%0.235CC..THydrogen-bonded Turntrans-73.8-47.1-170.8-170176.758.784.11.3111W79 E248 D281 L284 R322W79-R286 HydrophobicContact CD2-CG 4.31Å; W79-R286 HydrophobicContact CE3-CG 3.63Å; W79-R286 HydrophobicContact CH2-CG 3.41Å; W79-R286 VanDerWaalsContact CH2-CG 3.41Å; W79-R286 HydrophobicContact CZ2-CG 4.11Å; W79-R286 HydrophobicContact CZ3-CG 3.16Å; E248-R286 IonicContact OE1-CZ 2.75Å; E248-R286 IonicContact OE1-NH1 3.45Å; E248-R286 PolarHBondContact OE1-NH1 3.43Å; E248-R286 IonicContact OE1-NH2 3.56Å; E248-R286 PolarHBondContact OE1-NH2 2.86Å; E248-R286 IonicContact OE2-CZ 2.82Å; E248-R286 IonicContact OE2-NH1 3.18Å; E248-R286 PolarHBondContact OE2-NH1 2.68Å; E248-R286 IonicContact OE2-NH2 2.69Å; D281-R286 VanDerWaalsContact CG-NE 3.31Å; D281-R286 IonicContact OD1-CZ 3.8Å; D281-R286 IonicContact OD1-NE 3.06Å; D281-R286 PolarHBondContact OD1-NE 3.34Å; D281-R286 IonicContact OD1-NH2 2.71Å; D281-R286 PolarHBondContact OD1-NH2 3.43Å; D281-R286 WeakPolarHBondContact OD2-CB 3.3Å; D281-R286 WeakPolarHBondContact OD2-CD 3.49Å; D281-R286 IonicContact OD2-CZ 2.62Å; D281-R286 IonicContact OD2-NE 3.94Å; D281-R286 PolarHBondContact OD2-NE 2.82Å; D281-R286 IonicContact OD2-NH2 2.85Å; L284-R286 PolarHBondContact O-N 2.82Å; R286-R322 PolarHBondContact O-NH1 2.87Å
287T95.9Very high95.8Very high8 Ų845.1 Ų45.15%0.04925%0.245CC..THydrogen-bonded Turntrans-11011.6-167.653.40000113.2E248 A315 W318E248-T287 HydrophobicContact CG-CG2 4.14Å; T287-A315 CarbonylContact O-C 3.43Å; T287-A315 VanDerWaalsContact O-CA 3.28Å; T287-A315 WeakPolarHBondContact O-CA 3.4Å; T287-W318 HydrophobicContact CG2-CH2 4.3Å; T287-W318 HydrophobicContact CG2-CZ2 3.76Å; T287-W318 PolarHBondContact O-NE1 3.49Å; T287-W318 VanDerWaalsContact O-NE1 3.12Å
288T97Very high95.5Very high9 Ų946.1 Ų46.16%0.05525%0.251CS..SBendtrans-142.4173.3177.1820000113.4M279 L284 V290 L313 N314 A315 V344M279-T288 HydrophobicContact CE-CG2 4.32Å; L284-T288 HydrophobicContact CB-CG2 4.36Å; L284-T288 HydrophobicContact CD2-CG2 4.3Å; L284-T288 WeakPolarHBondContact O-CB 3.43Å; L284-T288 PolarHBondContact O-N 3.41Å; L284-T288 PolarHBondContact O-OG1 3.06Å; T288-V290 VanDerWaalsContact C-N 3.31Å; T288-V290 PolarHBondContact O-N 3.17Å; T288-V290 WeakPolarHBondContact OG1-CB 3.43Å; T288-V290 PolarHBondContact OG1-N 3.36Å; T288-V290 VanDerWaalsContact OG1-N 3.17Å; T288-L313 HydrophobicContact CG2-CB 4.43Å; T288-L313 HydrophobicContact CG2-CD1 4.37Å; T288-N314 WeakPolarHBondContact CA-O 3.49Å; T288-N314 WeakPolarHBondContact CB-O 3.28Å; T288-A315 HydrophobicContact CG2-CB 4.5Å; T288-V344 HydrophobicContact CG2-CG2 4.11Å
289N96.4Very high95.2Very high29 Ų2953.2 Ų53.216%0.15528%0.284CS..  trans-89.428.7171.572.7-28.8000114.2A291 E292 V293 L313 N314N289-A291 PolarHBondContact O-N 2.71Å; N289-E292 WeakPolarHBondContact O-CB 3.36Å; N289-E292 PolarHBondContact O-N 3.24Å; N289-V293 PolarHBondContact O-N 2.79Å; N289-L313 WeakPolarHBondContact OD1-CA 3.4Å; N289-N314 PolarHBondContact N-O 2.91Å; N289-N314 PolarHBondContact OD1-N 3.47Å
290V96.6Very high95.1Very high1 Ų155.8 Ų55.81%0.00630%0.298CS..Hα-helixtrans-53.5-30.7-179.468.90000113.9L284 M285 T288 E292 V293 F294 F305 L313L284-V290 HydrophobicContact CB-CB 3.88Å; L284-V290 HydrophobicContact CB-CG1 3.89Å; L284-V290 HydrophobicContact CB-CG2 4.13Å; M285-V290 HydrophobicContact CG-CG1 4.15Å; T288-V290 VanDerWaalsContact C-N 3.31Å; T288-V290 PolarHBondContact O-N 3.17Å; T288-V290 WeakPolarHBondContact OG1-CB 3.43Å; T288-V290 PolarHBondContact OG1-N 3.36Å; T288-V290 VanDerWaalsContact OG1-N 3.17Å; V290-E292 PolarHBondContact O-N 3.38Å; V290-V293 PolarHBondContact O-N 3.35Å; V290-F294 HydrophobicContact CG2-CB 4.13Å; V290-F294 HydrophobicContact CG2-CD2 4.3Å; V290-F294 CarbonylContact O-C 3.2Å; V290-F294 WeakPolarHBondContact O-CA 3.3Å; V290-F294 PolarHBondContact O-N 3.44Å; V290-F305 HydrophobicContact CG2-CE1 4.34Å; V290-F305 HydrophobicContact CG2-CZ 4.1Å; V290-L313 HydrophobicContact CB-CD1 4.27Å; V290-L313 HydrophobicContact CB-CD2 4.26Å; V290-L313 HydrophobicContact CG2-CD1 4.48Å
291A94.4Very high95.2Very high60 Ų6054.5 Ų54.550%0.49629%0.293SS..Hα-helixtrans-66.5-2617800000113.3N289 P295 T298N289-A291 PolarHBondContact O-N 2.71Å; A291-P295 WeakPolarHBondContact O-CA 3.28Å; A291-P295 WeakPolarHBondContact O-CB 3.36Å; A291-T298 HydrophobicContact CB-CG2 3.85Å
292E95.8Very high95.3Very high159 Ų15953.2 Ų53.274%0.74329%0.286SS*.Hα-helixtrans-85.6-42.9177.1-61.4174.1-178.800111N289 V290N289-E292 WeakPolarHBondContact O-CB 3.36Å; N289-E292 PolarHBondContact O-N 3.24Å; V290-E292 PolarHBondContact O-N 3.38Å
293V97.1Very high95.5Very high51 Ų5150 Ų5031%0.30926%0.264SS..Hα-helixtrans-82.2-40.2-175-174.50000112.1N289 V290 Q312 L313N289-V293 PolarHBondContact O-N 2.79Å; V290-V293 PolarHBondContact O-N 3.35Å; V293-Q312 HydrophobicContact CG1-CB 4.5Å; V293-L313 HydrophobicContact CB-CD2 3.8Å; V293-L313 HydrophobicContact CG1-CD2 4.2Å; V293-L313 HydrophobicContact CG2-CD2 3.9Å
294F96.9Very high95.6Very high36 Ų3651.2 Ų51.216%0.15827%0.268CS..  trans-133.465.3-177-57.1-69.1000112V290 N296 R297 F305 E309 L313V290-F294 HydrophobicContact CG2-CB 4.13Å; V290-F294 HydrophobicContact CG2-CD2 4.3Å; V290-F294 CarbonylContact O-C 3.2Å; V290-F294 WeakPolarHBondContact O-CA 3.3Å; V290-F294 PolarHBondContact O-N 3.44Å; F294-N296 PolarHBondContact O-N 3.11Å; F294-R297 HydrophobicContact CB-CB 4.29Å; F294-R297 PolarHBondContact O-N 2.74Å; F294-F305 HydrophobicContact CB-CE1 4.27Å; F294-F305 HydrophobicContact CD2-CD1 4.41Å; F294-F305 AromaticContact CD2-CE1 3.92Å; F294-F305 HydrophobicContact CD2-CE1 3.92Å; F294-F305 HydrophobicContact CG-CE1 4.14Å; F294-E309 HydrophobicContact CE1-CG 4.45Å; F294-E309 HydrophobicContact CE2-CB 4.11Å; F294-E309 HydrophobicContact CZ-CB 3.89Å; F294-E309 HydrophobicContact CZ-CG 3.93Å; F294-L313 HydrophobicContact CD2-CD2 4.03Å; F294-L313 HydrophobicContact CE2-CD2 4.06Å
295P94.6Very high95.7Very high76 Ų7651.1 Ų51.149%0.49427%0.268SS..G310 helixtrans-57.7-30.3-17221.1-33.8000114.3A291 R297A291-P295 WeakPolarHBondContact O-CA 3.28Å; A291-P295 WeakPolarHBondContact O-CB 3.36Å; P295-R297 VanDerWaalsContact C-N 3.33Å; P295-R297 PolarHBondContact O-N 2.84Å
296N95.9Very high95.9Very high162 Ų16249.6 Ų49.687%0.86626%0.262SS*.G310 helixtrans-84.4-2.5-179.2-64.9-26.8000114.1F294F294-N296 PolarHBondContact O-N 3.11Å
297R95.1Very high96.1Very high70 Ų7051.2 Ų51.226%0.26427%0.269SS..G310 helixtrans-125.416.1-175.4-67.2171.964.1-173.10.4113F294 P295 H299 L300 M304 F305 E309F294-R297 HydrophobicContact CB-CB 4.29Å; F294-R297 PolarHBondContact O-N 2.74Å; P295-R297 VanDerWaalsContact C-N 3.33Å; P295-R297 PolarHBondContact O-N 2.84Å; R297-H299 VanDerWaalsContact C-N 3.29Å; R297-H299 PolarHBondContact O-N 3.46Å; R297-L300 HydrophobicContact CB-CB 4.19Å; R297-L300 HydrophobicContact CB-CD2 4.34Å; R297-L300 HydrophobicContact CG-CD2 4.34Å; R297-L300 WeakPolarHBondContact O-CB 3.48Å; R297-L300 PolarHBondContact O-N 2.75Å; R297-M304 PolarHBondContact NH2-O 3.35Å; R297-M304 VanDerWaalsContact NH2-O 3.13Å; R297-F305 HydrophobicContact CB-CE1 4.1Å; R297-F305 HydrophobicContact CB-CZ 3.68Å; R297-F305 VanDerWaalsContact NH2-CD1 3.31Å; R297-F305 WeakPolarHBondContact O-CZ 3.25Å; R297-E309 IonicContact CZ-OE1 3.69Å; R297-E309 IonicContact CZ-OE2 3.77Å; R297-E309 VanDerWaalsContact NH1-CD 3.35Å; R297-E309 IonicContact NH1-OE1 2.71Å; R297-E309 PolarHBondContact NH1-OE1 3.11Å; R297-E309 IonicContact NH1-OE2 3.47Å; R297-E309 PolarHBondContact NH1-OE2 2.9Å; R297-E309 IonicContact NH2-OE1 3.75Å; R297-E309 IonicContact NH2-OE2 3.12Å; R297-E309 PolarHBondContact NH2-OE2 3.27Å; R297-E309 VanDerWaalsContact NH2-OE2 3.12Å
298T92.2Very high96.2Very high20 Ų2053.8 Ų53.812%0.12329%0.291CS..THydrogen-bonded Turntrans-57.4-38.1-177.350.20000113.8M285 A291 L300M285-T298 VanDerWaalsContact CG-O 3.25Å; M285-T298 WeakPolarHBondContact CG-O 3.43Å; A291-T298 HydrophobicContact CB-CG2 3.85Å; T298-L300 VanDerWaalsContact C-N 3.34Å
299H92.5Very high96.3Very high149 Ų14955.3 Ų55.369%0.6930%0.297SS*.THydrogen-bonded Turntrans-89.82179-60.2-70.7000113.9R297R297-H299 VanDerWaalsContact C-N 3.29Å; R297-H299 PolarHBondContact O-N 3.46Å
300L95Very high96.4Very high62 Ų6253.9 Ų53.933%0.32529%0.29SS..SBendtrans-73.4144.7177.2-170.667.3000109.4R297 T298 A302 M304 F305R297-L300 HydrophobicContact CB-CB 4.19Å; R297-L300 HydrophobicContact CB-CD2 4.34Å; R297-L300 HydrophobicContact CG-CD2 4.34Å; R297-L300 WeakPolarHBondContact O-CB 3.48Å; R297-L300 PolarHBondContact O-N 2.75Å; T298-L300 VanDerWaalsContact C-N 3.34Å; L300-A302 PolarHBondContact O-N 3.1Å; L300-M304 HydrophobicContact CD1-CB 4.05Å; L300-M304 HydrophobicContact CD1-CG 4.28Å; L300-M304 HydrophobicContact CD2-CB 3.74Å; L300-M304 HydrophobicContact CG-CB 3.74Å; L300-M304 HydrophobicContact CG-CG 4.39Å; L300-F305 HydrophobicContact CB-CE2 3.91Å; L300-F305 HydrophobicContact CB-CZ 4.3Å; L300-F305 HydrophobicContact CD2-CD2 4.37Å; L300-F305 HydrophobicContact CD2-CE2 3.93Å; L300-F305 HydrophobicContact CD2-CZ 4.26Å; L300-F305 HydrophobicContact CG-CE2 4.16Å
301D97Very high96.4Very high39 Ų3957 Ų5721%0.20930%0.304CS..BIsolated β-bridgetrans-60136.6175.6-168.3-65.1000110.5S282 A303 M304 F305 P369S282-D301 CarbonylContact O-C 3.43Å; S282-D301 WeakPolarHBondContact O-CA 3.18Å; D301-A303 PolarHBondContact O-N 3.12Å; D301-A303 VanDerWaalsContact OD1-CB 3.26Å; D301-A303 WeakPolarHBondContact OD1-CB 3.35Å; D301-A303 PolarHBondContact OD1-N 2.95Å; D301-M304 HydrophobicContact CB-CG 4.08Å; D301-M304 WeakPolarHBondContact O-CB 3.17Å; D301-M304 PolarHBondContact O-N 2.87Å; D301-F305 WeakPolarHBondContact O-CD2 3.45Å; D301-P369 HydrophobicContact CB-CG 3.98Å
302A97Very high96.6Very high0 Ų059.8 Ų59.80%031%0.307CS..G310 helixtrans-56.4-33.3-178.600000112F277 M279 S282 L284 L300 M304 F305F277-A302 HydrophobicContact CE2-CB 4.48Å; F277-A302 HydrophobicContact CZ-CB 4.1Å; M279-A302 HydrophobicContact CG-CB 4.18Å; S282-A302 PolarHBondContact O-N 2.86Å; L284-A302 HydrophobicContact CD1-CB 4.44Å; L284-A302 HydrophobicContact CD2-CB 3.78Å; L284-A302 HydrophobicContact CG-CB 3.81Å; L300-A302 PolarHBondContact O-N 3.1Å; A302-M304 PolarHBondContact O-N 2.87Å; A302-F305 PolarHBondContact O-N 2.87Å
303A97.4Very high96.7Very high0 Ų052.5 Ų52.50%027%0.273CS..G310 helixtrans-66.4-18.3176.300000113.2I270 S271 Y272 D301 F305 P368 P369 H372I270-A303 VanDerWaalsContact O-CA 3.29Å; I270-A303 WeakPolarHBondContact O-CA 3.46Å; I270-A303 WeakPolarHBondContact O-CB 3.33Å; S271-A303 CarbonylContact C-O 3.57Å; Y272-A303 WeakPolarHBondContact CA-O 3.26Å; Y272-A303 PolarHBondContact N-O 3.42Å; D301-A303 PolarHBondContact O-N 3.12Å; D301-A303 VanDerWaalsContact OD1-CB 3.26Å; D301-A303 WeakPolarHBondContact OD1-CB 3.35Å; D301-A303 PolarHBondContact OD1-N 2.95Å; A303-F305 VanDerWaalsContact C-N 3.26Å; A303-F305 PolarHBondContact O-N 2.62Å; A303-P368 HydrophobicContact CB-CB 4.21Å; A303-P369 HydrophobicContact CB-CG 4.47Å; A303-H372 PolarHBondContact O-CD2 3.48Å; A303-H372 VanDerWaalsContact O-CD2 3.27Å; A303-H372 PolarHBondContact O-NE2 3.32Å
304M97.3Very high96.7Very high52 Ų5251.7 Ų51.726%0.25627%0.267SS..G310 helixtrans-888.6179.9-60-65.5-63.400113.2Y272 R297 L300 D301 A302 P369 H372Y272-M304 HydrophobicContact CD2-CE 4.14Å; Y272-M304 HydrophobicContact CD2-SD 4.24Å; Y272-M304 HydrophobicContact CE2-CE 3.93Å; Y272-M304 HydrophobicContact CE2-SD 4.46Å; R297-M304 PolarHBondContact NH2-O 3.35Å; R297-M304 VanDerWaalsContact NH2-O 3.13Å; L300-M304 HydrophobicContact CD1-CB 4.05Å; L300-M304 HydrophobicContact CD1-CG 4.28Å; L300-M304 HydrophobicContact CD2-CB 3.74Å; L300-M304 HydrophobicContact CG-CB 3.74Å; L300-M304 HydrophobicContact CG-CG 4.39Å; D301-M304 HydrophobicContact CB-CG 4.08Å; D301-M304 WeakPolarHBondContact O-CB 3.17Å; D301-M304 PolarHBondContact O-N 2.87Å; A302-M304 PolarHBondContact O-N 2.87Å; M304-P369 HydrophobicContact CG-CG 3.96Å; M304-P369 HydrophobicContact SD-CG 3.9Å; M304-H372 HydrophobicContact SD-CB 4.48Å
305F97.9Very high96.7Very high0 Ų050.3 Ų50.30%026%0.262CS..SBendtrans-99.9146169.9-69-101.8000110S271 Y272 L284 V290 F294 R297 L300 D301 A302 A303 E309 I310S271-F305 WeakPolarHBondContact CB-O 3.22Å; Y272-F305 PolarHBondContact N-O 3.46Å; L284-F305 HydrophobicContact CD1-CD1 4.32Å; L284-F305 HydrophobicContact CD1-CD2 3.68Å; L284-F305 HydrophobicContact CD1-CE1 4.46Å; L284-F305 HydrophobicContact CD1-CE2 3.83Å; L284-F305 HydrophobicContact CD1-CG 3.93Å; L284-F305 HydrophobicContact CD1-CZ 4.21Å; V290-F305 HydrophobicContact CG2-CE1 4.34Å; V290-F305 HydrophobicContact CG2-CZ 4.1Å; F294-F305 HydrophobicContact CB-CE1 4.27Å; F294-F305 HydrophobicContact CD2-CD1 4.41Å; F294-F305 AromaticContact CD2-CE1 3.92Å; F294-F305 HydrophobicContact CD2-CE1 3.92Å; F294-F305 HydrophobicContact CG-CE1 4.14Å; R297-F305 HydrophobicContact CB-CE1 4.1Å; R297-F305 HydrophobicContact CB-CZ 3.68Å; R297-F305 VanDerWaalsContact NH2-CD1 3.31Å; R297-F305 WeakPolarHBondContact O-CZ 3.25Å; L300-F305 HydrophobicContact CB-CE2 3.91Å; L300-F305 HydrophobicContact CB-CZ 4.3Å; L300-F305 HydrophobicContact CD2-CD2 4.37Å; L300-F305 HydrophobicContact CD2-CE2 3.93Å; L300-F305 HydrophobicContact CD2-CZ 4.26Å; L300-F305 HydrophobicContact CG-CE2 4.16Å; D301-F305 WeakPolarHBondContact O-CD2 3.45Å; A302-F305 PolarHBondContact O-N 2.87Å; A303-F305 VanDerWaalsContact C-N 3.26Å; A303-F305 PolarHBondContact O-N 2.62Å; F305-E309 WeakPolarHBondContact CA-OE2 3.32Å; F305-E309 HydrophobicContact CB-CB 4.41Å; F305-E309 HydrophobicContact CD1-CB 4.23Å; F305-I310 HydrophobicContact CB-CD1 4.11Å; F305-I310 HydrophobicContact CB-CG1 3.76Å
306T98.2Very high96.8Very high39 Ų3946.7 Ų46.724%0.23924%0.238CC..  trans-74.9158.6171.2610000110.5Y272 D273 A308 E309 I310Y272-T306 HydrophobicContact CD1-CG2 4.42Å; D273-T306 WeakPolarHBondContact OD1-CA 3.38Å; T306-A308 VanDerWaalsContact C-N 3.26Å; T306-A308 PolarHBondContact O-N 3Å; T306-E309 PolarHBondContact N-OE2 2.86Å; T306-E309 WeakPolarHBondContact O-CB 3.4Å; T306-E309 PolarHBondContact O-N 3.45Å; T306-E309 VanDerWaalsContact O-N 3.08Å; T306-E309 VanDerWaalsContact OG1-CG 3.23Å; T306-E309 WeakPolarHBondContact OG1-CG 3.13Å; T306-E309 PolarHBondContact OG1-N 2.96Å; T306-E309 PolarHBondContact OG1-OE2 3.27Å; T306-I310 WeakPolarHBondContact O-CG1 3.28Å; T306-I310 PolarHBondContact O-N 3.2Å
307W98.2Very high96.8Very high54 Ų5441.4 Ų41.421%0.20521%0.214CC..Hα-helixtrans-58-40.6178.3179.4-121.4000112.4D273 V275 F277 E309 I310 Q311 V344D273-W307 PolarHBondContact OD1-N 3.18Å; D273-W307 PolarHBondContact OD2-N 2.87Å; V275-W307 HydrophobicContact CB-CB 4.02Å; V275-W307 HydrophobicContact CB-CD2 4.28Å; V275-W307 HydrophobicContact CB-CG 4.08Å; V275-W307 HydrophobicContact CG1-CD2 3.89Å; V275-W307 HydrophobicContact CG1-CE3 4.13Å; V275-W307 HydrophobicContact CG1-CG 4.08Å; V275-W307 HydrophobicContact CG2-CB 3.78Å; V275-W307 HydrophobicContact CG2-CG 3.95Å; F277-W307 HydrophobicContact CB-CE3 4.16Å; F277-W307 HydrophobicContact CB-CH2 4.45Å; F277-W307 HydrophobicContact CB-CZ3 3.57Å; F277-W307 HydrophobicContact CG-CZ3 4.35Å; W307-E309 VanDerWaalsContact C-N 3.3Å; W307-E309 PolarHBondContact O-N 3.46Å; W307-I310 HydrophobicContact CE3-CB 4.33Å; W307-I310 HydrophobicContact CE3-CG2 4.24Å; W307-I310 HydrophobicContact CZ3-CG2 4.07Å; W307-I310 PolarHBondContact O-N 3Å; W307-Q311 HydrophobicContact CD2-CG 4.04Å; W307-Q311 HydrophobicContact CE3-CG 4.49Å; W307-Q311 HydrophobicContact CH2-CG 4.25Å; W307-Q311 VanDerWaalsContact CZ2-CD 3.43Å; W307-Q311 HydrophobicContact CZ2-CG 3.76Å; W307-Q311 WeakPolarHBondContact O-CG 3.49Å; W307-Q311 PolarHBondContact O-N 3.33Å; W307-V344 WeakPolarHBondContact CH2-O 3.21Å
308A98.1Very high96.8Very high62 Ų6238.4 Ų38.451%0.51220%0.203SC..Hα-helixtrans-65.2-30.6177.500000113.4T306 Q312T306-A308 VanDerWaalsContact C-N 3.26Å; T306-A308 PolarHBondContact O-N 3Å; A308-Q312 WeakPolarHBondContact O-CG 3.12Å; A308-Q312 PolarHBondContact O-NE2 3.49Å
309E98.1Very high96.9Very high40 Ų4037.5 Ų37.519%0.18720%0.197CC..Hα-helixtrans-72.9-43.5172.5-71.7170.9147.100111.1F294 R297 F305 T306 W307 Q311 Q312F294-E309 HydrophobicContact CE1-CG 4.45Å; F294-E309 HydrophobicContact CE2-CB 4.11Å; F294-E309 HydrophobicContact CZ-CB 3.89Å; F294-E309 HydrophobicContact CZ-CG 3.93Å; R297-E309 IonicContact CZ-OE1 3.69Å; R297-E309 IonicContact CZ-OE2 3.77Å; R297-E309 VanDerWaalsContact NH1-CD 3.35Å; R297-E309 IonicContact NH1-OE1 2.71Å; R297-E309 PolarHBondContact NH1-OE1 3.11Å; R297-E309 IonicContact NH1-OE2 3.47Å; R297-E309 PolarHBondContact NH1-OE2 2.9Å; R297-E309 IonicContact NH2-OE1 3.75Å; R297-E309 IonicContact NH2-OE2 3.12Å; R297-E309 PolarHBondContact NH2-OE2 3.27Å; R297-E309 VanDerWaalsContact NH2-OE2 3.12Å; F305-E309 WeakPolarHBondContact CA-OE2 3.32Å; F305-E309 HydrophobicContact CB-CB 4.41Å; F305-E309 HydrophobicContact CD1-CB 4.23Å; T306-E309 PolarHBondContact N-OE2 2.86Å; T306-E309 WeakPolarHBondContact O-CB 3.4Å; T306-E309 PolarHBondContact O-N 3.45Å; T306-E309 VanDerWaalsContact O-N 3.08Å; T306-E309 VanDerWaalsContact OG1-CG 3.23Å; T306-E309 WeakPolarHBondContact OG1-CG 3.13Å; T306-E309 PolarHBondContact OG1-N 2.96Å; T306-E309 PolarHBondContact OG1-OE2 3.27Å; W307-E309 VanDerWaalsContact C-N 3.3Å; W307-E309 PolarHBondContact O-N 3.46Å; E309-Q311 VanDerWaalsContact C-N 3.3Å; E309-Q311 PolarHBondContact O-N 3.19Å; E309-Q312 WeakPolarHBondContact O-CB 3.18Å; E309-Q312 PolarHBondContact O-N 3.09Å; E309-Q312 VanDerWaalsContact O-N 3.15Å
310I98.1Very high97Very high0 Ų031.5 Ų31.50%017%0.17CC..Hα-helixtrans-60.6-41.4178.8-68.7163.8000110.8F277 F305 T306 W307 Q312 L313 V344F277-I310 HydrophobicContact CD1-CD1 3.92Å; F277-I310 HydrophobicContact CD2-CD1 4.3Å; F277-I310 HydrophobicContact CD2-CG2 4.5Å; F277-I310 HydrophobicContact CE1-CD1 3.56Å; F277-I310 HydrophobicContact CE2-CD1 3.96Å; F277-I310 HydrophobicContact CG-CD1 4.27Å; F277-I310 HydrophobicContact CZ-CD1 3.56Å; F305-I310 HydrophobicContact CB-CD1 4.11Å; F305-I310 HydrophobicContact CB-CG1 3.76Å; T306-I310 WeakPolarHBondContact O-CG1 3.28Å; T306-I310 PolarHBondContact O-N 3.2Å; W307-I310 HydrophobicContact CE3-CB 4.33Å; W307-I310 HydrophobicContact CE3-CG2 4.24Å; W307-I310 HydrophobicContact CZ3-CG2 4.07Å; W307-I310 PolarHBondContact O-N 3Å; I310-Q312 PolarHBondContact O-N 3.4Å; I310-L313 WeakPolarHBondContact O-CB 3.3Å; I310-L313 PolarHBondContact O-N 2.84Å; I310-V344 HydrophobicContact CG2-CB 3.64Å; I310-V344 HydrophobicContact CG2-CG1 3.8Å; I310-V344 HydrophobicContact CG2-CG2 4.05Å
311Q97.8Very high96.9Very high66 Ų6635.6 Ų35.631%0.30819%0.192SC..THydrogen-bonded Turntrans-66.8-14178.9-73.2-55.7-71.200114.7W307 E309 L313 V344W307-Q311 HydrophobicContact CD2-CG 4.04Å; W307-Q311 HydrophobicContact CE3-CG 4.49Å; W307-Q311 HydrophobicContact CH2-CG 4.25Å; W307-Q311 VanDerWaalsContact CZ2-CD 3.43Å; W307-Q311 HydrophobicContact CZ2-CG 3.76Å; W307-Q311 WeakPolarHBondContact O-CG 3.49Å; W307-Q311 PolarHBondContact O-N 3.33Å; E309-Q311 VanDerWaalsContact C-N 3.3Å; E309-Q311 PolarHBondContact O-N 3.19Å; Q311-L313 VanDerWaalsContact C-N 3.27Å; Q311-V344 PolarHBondContact NE2-O 3.42Å
312Q97.4Very high96.6Very high119 Ų11936 Ų3656%0.55619%0.19SC*.THydrogen-bonded Turntrans-79.5-13.7173.2-68.7167.957.300112.7V293 A308 E309 I310V293-Q312 HydrophobicContact CG1-CB 4.5Å; A308-Q312 WeakPolarHBondContact O-CG 3.12Å; A308-Q312 PolarHBondContact O-NE2 3.49Å; E309-Q312 WeakPolarHBondContact O-CB 3.18Å; E309-Q312 PolarHBondContact O-N 3.09Å; E309-Q312 VanDerWaalsContact O-N 3.15Å; I310-Q312 PolarHBondContact O-N 3.4Å
313L97.9Very high96.3Very high5 Ų538.2 Ų38.23%0.02620%0.202CC..SBendtrans-85.8140.4-175.6-57.8179.2000111.5L284 T288 N289 V290 V293 F294 I310 Q311L284-L313 HydrophobicContact CB-CD1 4.31Å; L284-L313 HydrophobicContact CD1-CD1 3.63Å; L284-L313 HydrophobicContact CG-CD1 4.36Å; T288-L313 HydrophobicContact CG2-CB 4.43Å; T288-L313 HydrophobicContact CG2-CD1 4.37Å; N289-L313 WeakPolarHBondContact OD1-CA 3.4Å; V290-L313 HydrophobicContact CB-CD1 4.27Å; V290-L313 HydrophobicContact CB-CD2 4.26Å; V290-L313 HydrophobicContact CG2-CD1 4.48Å; V293-L313 HydrophobicContact CB-CD2 3.8Å; V293-L313 HydrophobicContact CG1-CD2 4.2Å; V293-L313 HydrophobicContact CG2-CD2 3.9Å; F294-L313 HydrophobicContact CD2-CD2 4.03Å; F294-L313 HydrophobicContact CE2-CD2 4.06Å; I310-L313 WeakPolarHBondContact O-CB 3.3Å; I310-L313 PolarHBondContact O-N 2.84Å; Q311-L313 VanDerWaalsContact C-N 3.27Å
314N98Very high95.9Very high35 Ų3538.8 Ų38.819%0.18721%0.206CC..  trans-85.7122.6167.8-175.3-73000109T288 N289 G316 S317 Q340T288-N314 WeakPolarHBondContact CA-O 3.49Å; T288-N314 WeakPolarHBondContact CB-O 3.28Å; N289-N314 PolarHBondContact N-O 2.91Å; N289-N314 PolarHBondContact OD1-N 3.47Å; N314-G316 PolarHBondContact OD1-N 3.37Å; N314-S317 WeakPolarHBondContact OD1-CB 3.47Å; N314-S317 PolarHBondContact OD1-N 3.24Å; N314-S317 PolarHBondContact OD1-OG 3.27Å; N314-Q340 PolarHBondContact ND2-O 3.15Å; N314-Q340 PolarHBondContact OD1-O 3.11Å
315A97.6Very high95.6Very high6 Ų638.5 Ų38.55%0.0520%0.203CC..SBendtrans-102.811.4-178.300000113.5P247 T250 T287 T288 W318 Q342 V344P247-A315 WeakPolarHBondContact CB-O 3.26Å; T250-A315 HydrophobicContact CG2-CB 4.25Å; T287-A315 CarbonylContact O-C 3.43Å; T287-A315 VanDerWaalsContact O-CA 3.28Å; T287-A315 WeakPolarHBondContact O-CA 3.4Å; T288-A315 HydrophobicContact CG2-CB 4.5Å; A315-W318 PolarHBondContact O-NE1 2.76Å; A315-Q342 PolarHBondContact N-O 3.14Å; A315-V344 HydrophobicContact CB-CG2 3.86Å
316G96.4Very high95.2Very high0 Ų040.8 Ų40.80%023%0.227CC..SBendtrans-124.8-37.1-166.900000116.1N314 W318 F319 A339N314-G316 PolarHBondContact OD1-N 3.37Å; G316-W318 PolarHBondContact O-N 2.79Å; G316-F319 WeakPolarHBondContact O-CB 3.38Å; G316-F319 PolarHBondContact O-N 3.12Å; G316-F319 VanDerWaalsContact O-N 3.09Å; G316-A339 CarbonylContact C-O 3.54Å; G316-A339 VanDerWaalsContact C-O 3.29Å; G316-A339 WeakPolarHBondContact CA-O 3.5Å
317S95Very high94.8Very high51 Ų5139.6 Ų39.636%0.35722%0.22SC..Hα-helixtrans-58.5-35.3-175.463.10000113.5N314 F319 L320 L321N314-S317 WeakPolarHBondContact OD1-CB 3.47Å; N314-S317 PolarHBondContact OD1-N 3.24Å; N314-S317 PolarHBondContact OD1-OG 3.27Å; S317-F319 PolarHBondContact O-N 3.37Å; S317-L320 PolarHBondContact O-N 2.96Å; S317-L321 PolarHBondContact O-N 3.15Å
318W94.8Very high94.4Very high7 Ų737.3 Ų37.33%0.02721%0.212CC..Hα-helixtrans-58.5-33.5179.374.8-89.5000112.4W79 P247 E248 T287 A315 G316 L321 R322 P324W79-W318 HydrophobicContact CH2-CE3 4.08Å; W79-W318 AromaticContact CH2-CZ3 3.78Å; W79-W318 HydrophobicContact CH2-CZ3 3.78Å; W79-W318 HydrophobicContact CZ2-CE3 4.34Å; W79-W318 HydrophobicContact CZ2-CH2 4.2Å; W79-W318 AromaticContact CZ2-CZ3 3.57Å; W79-W318 HydrophobicContact CZ2-CZ3 3.57Å; P247-W318 HydrophobicContact CB-CZ2 4.36Å; E248-W318 HydrophobicContact CG-CH2 4.44Å; E248-W318 HydrophobicContact CG-CZ2 4.04Å; T287-W318 HydrophobicContact CG2-CH2 4.3Å; T287-W318 HydrophobicContact CG2-CZ2 3.76Å; T287-W318 PolarHBondContact O-NE1 3.49Å; T287-W318 VanDerWaalsContact O-NE1 3.12Å; A315-W318 PolarHBondContact O-NE1 2.76Å; G316-W318 PolarHBondContact O-N 2.79Å; W318-L321 PolarHBondContact O-N 2.85Å; W318-R322 WeakPolarHBondContact O-CB 3.22Å; W318-R322 PolarHBondContact O-N 3.42Å; W318-P324 HydrophobicContact CH2-CG 4.29Å; W318-P324 HydrophobicContact CZ3-CG 3.88Å
319F95.3Very high94Very high1 Ų139.6 Ų39.60%0.00422%0.224CC..Hα-helixtrans-65.5-44-175.2168.8-101.3000111P243 P247 G316 S317 D323 P324 L331 A339P243-F319 VanDerWaalsContact O-CE2 3.3Å; P243-F319 WeakPolarHBondContact O-CE2 3.26Å; P247-F319 HydrophobicContact CB-CB 3.85Å; P247-F319 HydrophobicContact CB-CG 4.27Å; P247-F319 HydrophobicContact CG-CB 3.78Å; P247-F319 HydrophobicContact CG-CD1 4.17Å; P247-F319 HydrophobicContact CG-CG 4.04Å; G316-F319 WeakPolarHBondContact O-CB 3.38Å; G316-F319 PolarHBondContact O-N 3.12Å; G316-F319 VanDerWaalsContact O-N 3.09Å; S317-F319 PolarHBondContact O-N 3.37Å; F319-D323 VanDerWaalsContact O-CA 3.25Å; F319-D323 WeakPolarHBondContact O-CA 3.4Å; F319-D323 PolarHBondContact O-N 3.31Å; F319-P324 HydrophobicContact CD2-CG 4.29Å; F319-L331 HydrophobicContact CE1-CD1 3.69Å; F319-L331 HydrophobicContact CZ-CD1 4.34Å; F319-A339 HydrophobicContact CD1-CB 4.39Å
320L94.3Very high93.6Very high24 Ų2441.8 Ų41.813%0.12624%0.244CC..Hα-helixtrans-78-27.3176.7-60.8-172.8000113.2S317 A328 L331 R336 Q340S317-L320 PolarHBondContact O-N 2.96Å; L320-A328 HydrophobicContact CD2-CB 3.82Å; L320-L331 HydrophobicContact CD2-CD1 4.06Å; L320-R336 HydrophobicContact CD1-CB 4.03Å; L320-R336 HydrophobicContact CD1-CG 4.37Å; L320-R336 HydrophobicContact CD2-CG 4.48Å; L320-Q340 HydrophobicContact CD1-CG 3.41Å; L320-Q340 VanDerWaalsContact CD1-CG 3.41Å; L320-Q340 HydrophobicContact CG-CG 4.33Å
321L92.2Very high93.3Very high148 Ų14842.7 Ų42.778%0.77525%0.249SC*.Hα-helixtrans-71.8-42.3178.6-177.270.4000111.6S317 W318S317-L321 PolarHBondContact O-N 3.15Å; W318-L321 PolarHBondContact O-N 2.85Å
322R91.3Very high93.2Very high47 Ų4741.9 Ų41.918%0.17725%0.25CC..Hα-helixtrans-93.7-32.9-176-63.9-175.5-170.815310.2112.1W88 R286 W318W88-R322 HydrophobicContact CB-CB 4.43Å; W88-R322 HydrophobicContact CB-CG 3.97Å; W88-R322 VanDerWaalsContact CD1-O 3.24Å; W88-R322 HydrophobicContact CD2-CB 3.98Å; W88-R322 HydrophobicContact CD2-CG 4.35Å; W88-R322 HydrophobicContact CG-CB 3.73Å; W88-R322 HydrophobicContact CG-CG 3.81Å; W88-R322 PolarHBondContact NE1-O 2.79Å; R286-R322 PolarHBondContact O-NH1 2.87Å; W318-R322 WeakPolarHBondContact O-CB 3.22Å; W318-R322 PolarHBondContact O-N 3.42Å
323D91.5Very high93Very high46 Ų4644 Ų4425%0.24626%0.26CS..  trans49.862.3-178.4-167.715.6000112.6F319 F325 G326 T327 A328F319-D323 VanDerWaalsContact O-CA 3.25Å; F319-D323 WeakPolarHBondContact O-CA 3.4Å; F319-D323 PolarHBondContact O-N 3.31Å; D323-F325 PolarHBondContact O-N 3.05Å; D323-F325 VanDerWaalsContact O-N 3.09Å; D323-G326 VanDerWaalsContact CG-CA 3.45Å; D323-G326 PolarHBondContact O-N 3.21Å; D323-G326 VanDerWaalsContact O-N 3.12Å; D323-G326 VanDerWaalsContact OD1-C 3.29Å; D323-G326 VanDerWaalsContact OD1-CA 3.27Å; D323-G326 WeakPolarHBondContact OD1-CA 3.2Å; D323-G326 PolarHBondContact OD1-N 3.37Å; D323-G326 VanDerWaalsContact OD1-N 3.13Å; D323-G326 VanDerWaalsContact OD2-CA 3.31Å; D323-G326 WeakPolarHBondContact OD2-CA 3.3Å; D323-T327 PolarHBondContact OD1-N 3.03Å; D323-A328 HydrophobicContact CB-CB 3.95Å; D323-A328 WeakPolarHBondContact OD1-CB 3.47Å; D323-A328 PolarHBondContact OD1-N 2.92Å
324P89.4Confident92.9Very high13 Ų1348.8 Ų48.88%0.08429%0.29CS..THydrogen-bonded Turntrans-60.8-25.7-169.225.7-36.3000114.4W79 W88 W318 F319W79-P324 HydrophobicContact CZ2-CB 4.15Å; W88-P324 HydrophobicContact CH2-CB 3.95Å; W88-P324 HydrophobicContact CZ2-CB 3.89Å; W318-P324 HydrophobicContact CH2-CG 4.29Å; W318-P324 HydrophobicContact CZ3-CG 3.88Å; F319-P324 HydrophobicContact CD2-CG 4.29Å
325F90Very high92.8Very high46 Ų4648.6 Ų48.620%0.20229%0.289CS..THydrogen-bonded Turntrans-109.71.7-178.6-61.5-75.7000113.5N75 P243 M244 D323 T327 N481N75-F325 HydrophobicContact CB-CD1 4.45Å; N75-F325 HydrophobicContact CB-CE1 3.8Å; N75-F325 HydrophobicContact CB-CZ 4.36Å; P243-F325 HydrophobicContact CB-CE2 3.97Å; P243-F325 HydrophobicContact CB-CZ 4.43Å; P243-F325 WeakPolarHBondContact O-CD2 3.47Å; P243-F325 VanDerWaalsContact O-CE2 3.29Å; P243-F325 WeakPolarHBondContact O-CE2 3.47Å; M244-F325 HydrophobicContact CB-CG 4.46Å; M244-F325 HydrophobicContact CE-CB 4.29Å; M244-F325 HydrophobicContact CG-CB 3.96Å; M244-F325 HydrophobicContact CG-CD1 3.77Å; M244-F325 HydrophobicContact CG-CD2 4.03Å; M244-F325 HydrophobicContact CG-CE1 4.26Å; M244-F325 HydrophobicContact CG-CG 3.65Å; D323-F325 PolarHBondContact O-N 3.05Å; D323-F325 VanDerWaalsContact O-N 3.09Å; F325-T327 HydrophobicContact CB-CG2 4.04Å; F325-T327 PolarHBondContact O-N 3.1Å; F325-N481 HydrophobicContact CE1-CB 4.35Å; F325-N481 HydrophobicContact CZ-CB 4.36Å
326G89.9Confident92.7Very high48 Ų4853.2 Ų53.250%0.49531%0.305SS..SBendtrans68.120.6-177.100000114.4D323D323-G326 VanDerWaalsContact CG-CA 3.45Å; D323-G326 PolarHBondContact O-N 3.21Å; D323-G326 VanDerWaalsContact O-N 3.12Å; D323-G326 VanDerWaalsContact OD1-C 3.29Å; D323-G326 VanDerWaalsContact OD1-CA 3.27Å; D323-G326 WeakPolarHBondContact OD1-CA 3.2Å; D323-G326 PolarHBondContact OD1-N 3.37Å; D323-G326 VanDerWaalsContact OD1-N 3.13Å; D323-G326 VanDerWaalsContact OD2-CA 3.31Å; D323-G326 WeakPolarHBondContact OD2-CA 3.3Å
327T90Very high92.6Very high14 Ų1456.5 Ų56.59%0.08633%0.328CS..  trans-102.6-11.6-172.955.50000113.5M244 D323 F325 S329 S330M244-T327 HydrophobicContact CB-CG2 4.34Å; M244-T327 HydrophobicContact CE-CG2 3.9Å; M244-T327 WeakPolarHBondContact O-CB 3.38Å; M244-T327 WeakPolarHBondContact O-CG2 3.33Å; M244-T327 PolarHBondContact O-OG1 2.82Å; D323-T327 PolarHBondContact OD1-N 3.03Å; F325-T327 HydrophobicContact CB-CG2 4.04Å; F325-T327 PolarHBondContact O-N 3.1Å; T327-S329 PolarHBondContact O-N 3.5Å; T327-S330 WeakPolarHBondContact O-CB 3.28Å; T327-S330 PolarHBondContact O-N 3.39Å; T327-S330 PolarHBondContact O-OG 3.28Å
328A89.1Confident92.7Very high5 Ų557.7 Ų57.74%0.04133%0.328CS..THydrogen-bonded Turntrans-58.6-25-17700000113.7L320 D323 R336L320-A328 HydrophobicContact CD2-CB 3.82Å; D323-A328 HydrophobicContact CB-CB 3.95Å; D323-A328 WeakPolarHBondContact OD1-CB 3.47Å; D323-A328 PolarHBondContact OD1-N 2.92Å; A328-R336 PolarHBondContact O-NE 3.43Å
329S89.2Confident92.7Very high110 Ų11057.3 Ų57.377%0.76933%0.326SS*.THydrogen-bonded Turntrans-75.3-21.5175.4650000114.1T327T327-S329 PolarHBondContact O-N 3.5Å
330S90.4Very high92.7Very high86 Ų8661.8 Ų61.860%0.60135%0.347SS*.THydrogen-bonded Turntrans-86.8-12.4-179.770.90000113.7T327T327-S330 WeakPolarHBondContact O-CB 3.28Å; T327-S330 PolarHBondContact O-N 3.39Å; T327-S330 PolarHBondContact O-OG 3.28Å
331L92.5Very high92.8Very high20 Ų2066.8 Ų66.811%0.10537%0.374CS..SBendtrans-76.4142.2-177.2-64-177.9000112.3L245 F319 L320 D335 R336L245-L331 WeakPolarHBondContact O-CD2 3.49Å; F319-L331 HydrophobicContact CE1-CD1 3.69Å; F319-L331 HydrophobicContact CZ-CD1 4.34Å; L320-L331 HydrophobicContact CD2-CD1 4.06Å; L331-D335 HydrophobicContact CB-CB 4.27Å; L331-D335 HydrophobicContact CD2-CB 4.48Å; L331-R336 HydrophobicContact CB-CG 3.65Å; L331-R336 HydrophobicContact CD1-CG 4.49Å
332S94.9Very high93Very high48 Ų4860.9 Ų60.934%0.33634%0.342SS..  trans-63.8157.9172.172.20000111.3T334 D335 R336S332-T334 PolarHBondContact O-N 3.41Å; S332-T334 PolarHBondContact OG-OG1 3.25Å; S332-D335 PolarHBondContact O-N 2.95Å; S332-D335 WeakPolarHBondContact OG-CB 3.44Å; S332-D335 PolarHBondContact OG-N 2.67Å; S332-D335 PolarHBondContact OG-OD2 2.63Å; S332-R336 VanDerWaalsContact O-CG 3.28Å; S332-R336 WeakPolarHBondContact O-CG 3.38Å; S332-R336 PolarHBondContact O-N 3.42Å
333E94.2Very high93.3Very high163 Ų16360.8 Ų60.876%0.76235%0.349SS*.Hα-helixtrans-58.5-38.2178.1-171.7168.5-161.900112R336 S337E333-R336 PolarHBondContact O-N 3.01Å; E333-S337 PolarHBondContact O-N 3.47Å; E333-S337 PolarHBondContact O-OG 2.91Å
334T94.9Very high93.6Very high107 Ų10758.7 Ų58.766%0.65634%0.338SS*.Hα-helixtrans-64.8-46.117546.10000112.4S332 R336 S337 Q338S332-T334 PolarHBondContact O-N 3.41Å; S332-T334 PolarHBondContact OG-OG1 3.25Å; T334-R336 VanDerWaalsContact C-N 3.28Å; T334-R336 PolarHBondContact O-N 2.91Å; T334-S337 PolarHBondContact O-N 3.1Å; T334-Q338 PolarHBondContact O-N 3.41Å
335D95.2Very high94Very high30 Ų3058.1 Ų58.116%0.1633%0.334CS..Hα-helixtrans-63.8-37.2177.1-69.2-48.2000110.6M252 K256 L331 S332 Q338 A339M252-D335 HydrophobicContact CE-CB 3.88Å; M252-D335 WeakPolarHBondContact CE-O 3.49Å; K256-D335 WeakPolarHBondContact CE-OD1 3.42Å; K256-D335 IonicContact NZ-OD1 3.92Å; K256-D335 PolarHBondContact NZ-OD1 3.46Å; K256-D335 IonicContact NZ-OD2 3.22Å; L331-D335 HydrophobicContact CB-CB 4.27Å; L331-D335 HydrophobicContact CD2-CB 4.48Å; S332-D335 PolarHBondContact O-N 2.95Å; S332-D335 WeakPolarHBondContact OG-CB 3.44Å; S332-D335 PolarHBondContact OG-N 2.67Å; S332-D335 PolarHBondContact OG-OD2 2.63Å; D335-Q338 PolarHBondContact O-N 3.41Å; D335-A339 WeakPolarHBondContact O-CB 3.48Å; D335-A339 PolarHBondContact O-N 2.89Å
336R95.3Very high94.4Very high103 Ų10356.6 Ų56.639%0.38933%0.329SS..Hα-helixtrans-64.2-45.6176.7-68.9174.697.3-114.10111.4L320 A328 L331 S332 E333 T334 A339 Q340L320-R336 HydrophobicContact CD1-CB 4.03Å; L320-R336 HydrophobicContact CD1-CG 4.37Å; L320-R336 HydrophobicContact CD2-CG 4.48Å; A328-R336 PolarHBondContact O-NE 3.43Å; L331-R336 HydrophobicContact CB-CG 3.65Å; L331-R336 HydrophobicContact CD1-CG 4.49Å; S332-R336 VanDerWaalsContact O-CG 3.28Å; S332-R336 WeakPolarHBondContact O-CG 3.38Å; S332-R336 PolarHBondContact O-N 3.42Å; E333-R336 PolarHBondContact O-N 3.01Å; T334-R336 VanDerWaalsContact C-N 3.28Å; T334-R336 PolarHBondContact O-N 2.91Å; R336-A339 PolarHBondContact O-N 3.4Å; R336-Q340 WeakPolarHBondContact O-CG 3.23Å; R336-Q340 PolarHBondContact O-N 3.38Å
337S95.1Very high94.8Very high70 Ų7054.3 Ų54.349%0.4931%0.306SS..Hα-helixtrans-63-40.9176-65.20000112.3E333 T334 N341E333-S337 PolarHBondContact O-N 3.47Å; E333-S337 PolarHBondContact O-OG 2.91Å; T334-S337 PolarHBondContact O-N 3.1Å; S337-N341 PolarHBondContact O-N 3.14Å
338Q96.4Very high95.2Very high75 Ų7554.6 Ų54.635%0.3531%0.309SS..Hα-helixtrans-65.5-45.7176.1-173.9178.1-6.500111.4M252 E255 T334 D335 Q340 N341 Q342M252-Q338 HydrophobicContact CB-CG 4.45Å; M252-Q338 HydrophobicContact CE-CB 4.43Å; M252-Q338 HydrophobicContact CG-CG 4.17Å; M252-Q338 HydrophobicContact SD-CB 4.02Å; M252-Q338 HydrophobicContact SD-CG 3.76Å; E255-Q338 PolarHBondContact OE2-NE2 2.85Å; T334-Q338 PolarHBondContact O-N 3.41Å; D335-Q338 PolarHBondContact O-N 3.41Å; Q338-Q340 VanDerWaalsContact C-N 3.29Å; Q338-Q340 PolarHBondContact O-N 3.38Å; Q338-N341 CarbonylContact O-C 3.55Å; Q338-N341 PolarHBondContact O-N 3.27Å; Q338-Q342 PolarHBondContact O-NE2 2.92Å
339A95.9Very high95.7Very high0 Ų057.3 Ų57.30%032%0.321CS..Hα-helixtrans-61-36.4179.300000112.1P247 M252 G316 F319 D335 R336 N341P247-A339 HydrophobicContact CG-CB 4.23Å; P247-A339 WeakPolarHBondContact CG-O 3.34Å; M252-A339 HydrophobicContact CE-CB 4.17Å; M252-A339 VanDerWaalsContact SD-CA 3.52Å; M252-A339 HydrophobicContact SD-CB 3.77Å; M252-A339 PolarHBondContact SD-N 3.43Å; M252-A339 VanDerWaalsContact SD-N 3.45Å; G316-A339 CarbonylContact C-O 3.54Å; G316-A339 VanDerWaalsContact C-O 3.29Å; G316-A339 WeakPolarHBondContact CA-O 3.5Å; F319-A339 HydrophobicContact CD1-CB 4.39Å; D335-A339 WeakPolarHBondContact O-CB 3.48Å; D335-A339 PolarHBondContact O-N 2.89Å; R336-A339 PolarHBondContact O-N 3.4Å; A339-N341 VanDerWaalsContact C-N 3.27Å; A339-N341 PolarHBondContact O-N 3.46Å
340Q95.4Very high96.1Very high95 Ų9552.1 Ų52.144%0.44429%0.285SS..Hα-helixtrans-67-27.9176.2-74.5176.9-7.700113.3N314 L320 R336 Q338N314-Q340 PolarHBondContact ND2-O 3.15Å; N314-Q340 PolarHBondContact OD1-O 3.11Å; L320-Q340 HydrophobicContact CD1-CG 3.41Å; L320-Q340 VanDerWaalsContact CD1-CG 3.41Å; L320-Q340 HydrophobicContact CG-CG 4.33Å; R336-Q340 WeakPolarHBondContact O-CG 3.23Å; R336-Q340 PolarHBondContact O-N 3.38Å; Q338-Q340 VanDerWaalsContact C-N 3.29Å; Q338-Q340 PolarHBondContact O-N 3.38Å
341N95Very high96.5Very high129 Ų12948 Ų4869%0.6926%0.256SS*.THydrogen-bonded Turntrans-111.251.8-172-164.333.4000111.9S337 Q338 A339S337-N341 PolarHBondContact O-N 3.14Å; Q338-N341 CarbonylContact O-C 3.55Å; Q338-N341 PolarHBondContact O-N 3.27Å; A339-N341 VanDerWaalsContact C-N 3.27Å; A339-N341 PolarHBondContact O-N 3.46Å
342Q97.6Very high96.7Very high23 Ų2351.9 Ų51.911%0.10727%0.274CS..  trans-100.3146.6173.5-62.8-60.4-6900111P247 T250 M252 A315 Q338P247-Q342 HydrophobicContact CG-CG 4.17Å; T250-Q342 HydrophobicContact CG2-CB 3.7Å; T250-Q342 HydrophobicContact CG2-CG 4.13Å; M252-Q342 HydrophobicContact CB-CG 4.36Å; A315-Q342 PolarHBondContact N-O 3.14Å; Q338-Q342 PolarHBondContact O-NE2 2.92Å
343S97.3Very high96.9Very high45 Ų4551 Ų5132%0.31527%0.267SS..  trans-110.1166.9168.561.70000110.4P345S343-P345 WeakPolarHBondContact O-CD 3.45Å
344V98.1Very high97Very high2 Ų243.3 Ų43.31%0.01223%0.23CC..PPolyproline II helixtrans-71.2119.8172.6-179.60000108.9F277 L278 M279 T288 W307 I310 Q311 A315F277-V344 HydrophobicContact CD2-CG1 3.66Å; F277-V344 HydrophobicContact CE2-CG1 4.34Å; L278-V344 VanDerWaalsContact O-CG1 3.26Å; L278-V344 WeakPolarHBondContact O-CG1 3.26Å; M279-V344 HydrophobicContact CE-CG1 4.3Å; M279-V344 HydrophobicContact CE-CG2 4.12Å; T288-V344 HydrophobicContact CG2-CG2 4.11Å; W307-V344 WeakPolarHBondContact CH2-O 3.21Å; I310-V344 HydrophobicContact CG2-CB 3.64Å; I310-V344 HydrophobicContact CG2-CG1 3.8Å; I310-V344 HydrophobicContact CG2-CG2 4.05Å; Q311-V344 PolarHBondContact NE2-O 3.42Å; A315-V344 HydrophobicContact CB-CG2 3.86Å
345P98.1Very high97.1Very high1 Ų140 Ų401%0.00621%0.214CC..PPolyproline II helixtrans-79.3153-178.530.9-33.6000112.4N249 L251 F254 L278 S343N249-P345 WeakPolarHBondContact O-CD 3.32Å; N249-P345 WeakPolarHBondContact O-CG 3.47Å; L251-P345 HydrophobicContact CD2-CB 4.02Å; L251-P345 HydrophobicContact CG-CB 4.2Å; F254-P345 HydrophobicContact CE2-CG 4.32Å; L278-P345 HydrophobicContact CB-CG 4.02Å; L278-P345 HydrophobicContact CD1-CB 4.25Å; L278-P345 HydrophobicContact CD1-CG 3.5Å; L278-P345 VanDerWaalsContact CD1-CG 3.5Å; L278-P345 HydrophobicContact CG-CG 3.89Å; L278-P345 PolarHBondContact N-O 3.3Å; S343-P345 WeakPolarHBondContact O-CD 3.45Å
346S98.5Very high97.2Very high14 Ų1443 Ų4310%0.09824%0.243CC..BIsolated β-bridgetrans-77.8159.7166.563.50000110.4A348 Q349 F350S346-A348 PolarHBondContact O-N 3.24Å; S346-Q349 PolarHBondContact O-N 2.95Å; S346-Q349 VanDerWaalsContact OG-CG 3.31Å; S346-Q349 WeakPolarHBondContact OG-CG 3.49Å; S346-Q349 PolarHBondContact OG-N 3.28Å; S346-Q349 PolarHBondContact OG-OE1 3.39Å; S346-F350 PolarHBondContact O-N 3.25Å
347L98.4Very high97.2Very high0 Ų040 Ų400%024%0.238CC..Hα-helixtrans-58.4-39.5172.2178.261.5000111.4V268 P276 L278 Q349 F350 L351 T382 V385 V386V268-L347 HydrophobicContact CG1-CD2 4.24Å; V268-L347 HydrophobicContact CG2-CD1 3.85Å; P276-L347 HydrophobicContact CB-CB 3.82Å; P276-L347 HydrophobicContact CB-CD2 3.92Å; P276-L347 PolarHBondContact O-N 3.19Å; L278-L347 HydrophobicContact CD2-CD1 4.27Å; L347-Q349 PolarHBondContact O-N 3.39Å; L347-F350 HydrophobicContact CD1-CD1 4Å; L347-F350 PolarHBondContact O-N 2.9Å; L347-L351 HydrophobicContact CD1-CD1 4.17Å; L347-L351 HydrophobicContact CD1-CD2 4.32Å; L347-L351 HydrophobicContact CD1-CG 3.98Å; L347-L351 HydrophobicContact CD2-CD1 4.46Å; L347-L351 HydrophobicContact CG-CD1 3.9Å; L347-L351 HydrophobicContact CG-CG 4.15Å; L347-L351 VanDerWaalsContact O-CG 3.27Å; L347-L351 WeakPolarHBondContact O-CG 3.35Å; L347-L351 PolarHBondContact O-N 3.44Å; L347-T382 HydrophobicContact CD2-CG2 3.76Å; L347-V385 HydrophobicContact CB-CG1 4.21Å; L347-V385 HydrophobicContact CD2-CB 4.16Å; L347-V385 HydrophobicContact CD2-CG1 3.99Å; L347-V385 HydrophobicContact CG-CG1 3.99Å; L347-V386 HydrophobicContact CD2-CG2 4.48Å
348A98.3Very high97.3Very high20 Ų2039.2 Ų39.217%0.16524%0.241CC..Hα-helixtrans-56.9-50.817900000111.8S346 F350 L351 E352 V385S346-A348 PolarHBondContact O-N 3.24Å; A348-F350 VanDerWaalsContact C-N 3.31Å; A348-F350 PolarHBondContact O-N 3.25Å; A348-L351 PolarHBondContact O-N 2.79Å; A348-E352 WeakPolarHBondContact O-CG 3.01Å; A348-E352 PolarHBondContact O-N 3.19Å; A348-V385 HydrophobicContact CB-CG1 4.05Å
349Q98.4Very high97.3Very high63 Ų6337 Ų3729%0.29423%0.23SC..Hα-helixtrans-61.4-38.9179.5-68.5166.2-59.600112.4L251 S346 L347 E352 V353L251-Q349 HydrophobicContact CD2-CB 3.99Å; S346-Q349 PolarHBondContact O-N 2.95Å; S346-Q349 VanDerWaalsContact OG-CG 3.31Å; S346-Q349 WeakPolarHBondContact OG-CG 3.49Å; S346-Q349 PolarHBondContact OG-N 3.28Å; S346-Q349 PolarHBondContact OG-OE1 3.39Å; L347-Q349 PolarHBondContact O-N 3.39Å; Q349-E352 PolarHBondContact O-N 2.7Å; Q349-V353 WeakPolarHBondContact O-CG2 3.4Å; Q349-V353 PolarHBondContact O-N 3.09Å
350F98.3Very high97.4Very high0 Ų039.4 Ų39.40%024%0.243CC..Hα-helixtrans-64.4-45175.1161.8-101.1000112.4F254 L264 T266 L278 S346 L347 A348 E352 V353 A354 V361F254-F350 AromaticContact CD1-CD2 3.69Å; F254-F350 HydrophobicContact CD1-CD2 3.69Å; F254-F350 AromaticContact CD1-CE2 3.58Å; F254-F350 HydrophobicContact CD1-CE2 3.58Å; F254-F350 AromaticContact CD2-CD2 3.74Å; F254-F350 HydrophobicContact CD2-CD2 3.74Å; F254-F350 HydrophobicContact CD2-CE2 4.47Å; F254-F350 AromaticContact CE1-CD2 3.57Å; F254-F350 HydrophobicContact CE1-CD2 3.57Å; F254-F350 AromaticContact CE1-CE2 3.42Å; F254-F350 HydrophobicContact CE1-CE2 3.42Å; F254-F350 VanDerWaalsContact CE1-CE2 3.42Å; F254-F350 HydrophobicContact CE2-CB 4.47Å; F254-F350 AromaticContact CE2-CD2 3.64Å; F254-F350 HydrophobicContact CE2-CD2 3.64Å; F254-F350 HydrophobicContact CE2-CE2 4.36Å; F254-F350 HydrophobicContact CE2-CG 4.44Å; F254-F350 AromaticContact CG-CD2 3.77Å; F254-F350 HydrophobicContact CG-CD2 3.77Å; F254-F350 HydrophobicContact CG-CE2 4.12Å; F254-F350 AromaticContact CZ-CD2 3.54Å; F254-F350 HydrophobicContact CZ-CD2 3.54Å; F254-F350 AromaticContact CZ-CE2 3.84Å; F254-F350 HydrophobicContact CZ-CE2 3.84Å; F254-F350 HydrophobicContact CZ-CG 4.47Å; L264-F350 HydrophobicContact CB-CE2 3.71Å; L264-F350 HydrophobicContact CB-CZ 3.95Å; L264-F350 HydrophobicContact CD1-CE2 4.08Å; T266-F350 HydrophobicContact CG2-CD1 3.92Å; T266-F350 HydrophobicContact CG2-CD2 4.39Å; T266-F350 HydrophobicContact CG2-CE1 3.45Å; T266-F350 VanDerWaalsContact CG2-CE1 3.45Å; T266-F350 HydrophobicContact CG2-CE2 3.99Å; T266-F350 HydrophobicContact CG2-CG 4.35Å; T266-F350 HydrophobicContact CG2-CZ 3.5Å; L278-F350 HydrophobicContact CD1-CB 3.59Å; L278-F350 HydrophobicContact CD1-CD2 4.15Å; L278-F350 HydrophobicContact CD1-CG 3.92Å; L278-F350 HydrophobicContact CD2-CB 4.46Å; L278-F350 HydrophobicContact CG-CB 4.45Å; S346-F350 PolarHBondContact O-N 3.25Å; L347-F350 HydrophobicContact CD1-CD1 4Å; L347-F350 PolarHBondContact O-N 2.9Å; A348-F350 VanDerWaalsContact C-N 3.31Å; A348-F350 PolarHBondContact O-N 3.25Å; F350-E352 VanDerWaalsContact C-N 3.3Å; F350-E352 PolarHBondContact O-N 2.9Å; F350-V353 PolarHBondContact O-N 3.01Å; F350-A354 PolarHBondContact O-N 3.28Å; F350-A354 VanDerWaalsContact O-N 3.09Å; F350-V361 HydrophobicContact CE1-CB 4.45Å; F350-V361 HydrophobicContact CE1-CG1 3.52Å; F350-V361 HydrophobicContact CE1-CG2 4.11Å; F350-V361 HydrophobicContact CZ-CG1 3.9Å; F350-V361 HydrophobicContact CZ-CG2 4.14Å
351L98.3Very high97.5Very high0 Ų034.9 Ų34.90%022%0.221CC..Hα-helixtrans-64.9-35.3178.4-68.3179.4000112L347 A348 A354 A355 V361 V385 V386 H389 I390L347-L351 HydrophobicContact CD1-CD1 4.17Å; L347-L351 HydrophobicContact CD1-CD2 4.32Å; L347-L351 HydrophobicContact CD1-CG 3.98Å; L347-L351 HydrophobicContact CD2-CD1 4.46Å; L347-L351 HydrophobicContact CG-CD1 3.9Å; L347-L351 HydrophobicContact CG-CG 4.15Å; L347-L351 VanDerWaalsContact O-CG 3.27Å; L347-L351 WeakPolarHBondContact O-CG 3.35Å; L347-L351 PolarHBondContact O-N 3.44Å; A348-L351 PolarHBondContact O-N 2.79Å; L351-A354 PolarHBondContact O-N 2.83Å; L351-A355 WeakPolarHBondContact O-CB 3.46Å; L351-A355 PolarHBondContact O-N 3.24Å; L351-V361 HydrophobicContact CD2-CG1 4.05Å; L351-V361 HydrophobicContact CD2-CG2 4.23Å; L351-V385 HydrophobicContact CD1-CG1 4.25Å; L351-V386 HydrophobicContact CD1-CB 4.39Å; L351-V386 HydrophobicContact CD1-CG2 4.02Å; L351-H389 HydrophobicContact CB-CB 3.88Å; L351-H389 HydrophobicContact CD1-CB 4.25Å; L351-I390 HydrophobicContact CB-CB 4.35Å; L351-I390 HydrophobicContact CD1-CG2 4.24Å; L351-I390 HydrophobicContact CD2-CB 4.46Å; L351-I390 HydrophobicContact CD2-CD1 4.38Å; L351-I390 HydrophobicContact CD2-CG2 3.95Å; L351-I390 HydrophobicContact CG-CG2 4.47Å
352E97.9Very high97.6Very high102 Ų10228.9 Ų28.948%0.47719%0.189SC..Hα-helixtrans-61.4-42.6173.4-73.7170.3-18000111.8A348 Q349 F350 A355 A356 H389A348-E352 WeakPolarHBondContact O-CG 3.01Å; A348-E352 PolarHBondContact O-N 3.19Å; Q349-E352 PolarHBondContact O-N 2.7Å; F350-E352 VanDerWaalsContact C-N 3.3Å; F350-E352 PolarHBondContact O-N 2.9Å; E352-A355 PolarHBondContact O-N 2.88Å; E352-A356 VanDerWaalsContact O-CB 3.22Å; E352-A356 WeakPolarHBondContact O-CB 3.32Å; E352-A356 PolarHBondContact O-N 3.3Å; E352-H389 IonicContact OE1-CD2 2.79Å; E352-H389 PolarHBondContact OE1-CD2 3.07Å
353V97.6Very high97.5Very high30 Ų3027.8 Ų27.818%0.18218%0.184CC..Hα-helixtrans-61.3-45.6174.9172.60000110.9L251 F254 V258 L264 Q349 F350 S357L251-V353 HydrophobicContact CD2-CG2 4.2Å; F254-V353 HydrophobicContact CB-CG1 4.1Å; V258-V353 HydrophobicContact CG2-CG1 4.05Å; L264-V353 HydrophobicContact CD1-CG1 4.4Å; Q349-V353 WeakPolarHBondContact O-CG2 3.4Å; Q349-V353 PolarHBondContact O-N 3.09Å; F350-V353 PolarHBondContact O-N 3.01Å; V353-S357 WeakPolarHBondContact O-CB 3.01Å; V353-S357 PolarHBondContact O-N 3.32Å; V353-S357 PolarHBondContact O-OG 2.87Å
354A97.5Very high97.4Very high0 Ų029 Ų290%019%0.187CC..Hα-helixtrans-67.2-41.4178.800000112.7L264 F350 L351 S357 G358 K359 V361 I390L264-A354 HydrophobicContact CD1-CB 4.06Å; F350-A354 PolarHBondContact O-N 3.28Å; F350-A354 VanDerWaalsContact O-N 3.09Å; L351-A354 PolarHBondContact O-N 2.83Å; A354-S357 PolarHBondContact O-N 2.6Å; A354-S357 PolarHBondContact O-OG 3.18Å; A354-G358 PolarHBondContact O-N 2.86Å; A354-K359 PolarHBondContact O-N 2.96Å; A354-V361 HydrophobicContact CB-CG2 3.31Å; A354-I390 HydrophobicContact CB-CD1 3.87Å
355A97Very high97.3Very high37 Ų3729.8 Ų29.831%0.30619%0.191SC..Hα-helixtrans-65.3-45.5178.300000111.5L351 E352 S357 G358 I390L351-A355 WeakPolarHBondContact O-CB 3.46Å; L351-A355 PolarHBondContact O-N 3.24Å; E352-A355 PolarHBondContact O-N 2.88Å; A355-S357 PolarHBondContact O-N 3.14Å; A355-G358 PolarHBondContact O-N 3.06Å; A355-I390 HydrophobicContact CB-CB 4.35Å; A355-I390 HydrophobicContact CB-CD1 4.4Å; A355-I390 HydrophobicContact CB-CG1 4Å
356A97Very high97.1Very high95 Ų9532.7 Ų32.779%0.78520%0.202SC*.Hα-helixtrans-62.8-29.617900000112.9E352E352-A356 VanDerWaalsContact O-CB 3.22Å; E352-A356 WeakPolarHBondContact O-CB 3.32Å; E352-A356 PolarHBondContact O-N 3.3Å
357S96.1Very high96.9Very high39 Ų3937.2 Ų37.227%0.27322%0.217SC..Hα-helixtrans-98.6-3.8-179.757.30000114.3V258 V353 A354 A355 K359V258-S357 VanDerWaalsContact CG1-CB 3.42Å; V353-S357 WeakPolarHBondContact O-CB 3.01Å; V353-S357 PolarHBondContact O-N 3.32Å; V353-S357 PolarHBondContact O-OG 2.87Å; A354-S357 PolarHBondContact O-N 2.6Å; A354-S357 PolarHBondContact O-OG 3.18Å; A355-S357 PolarHBondContact O-N 3.14Å; S357-K359 VanDerWaalsContact C-N 3.26Å; S357-K359 PolarHBondContact O-N 2.73Å; S357-K359 VanDerWaalsContact OG-CG 3.23Å; S357-K359 WeakPolarHBondContact OG-CG 3.26Å
358G96Very high96.8Very high53 Ų5337.3 Ų37.355%0.54622%0.217SC..THydrogen-bonded Turntrans67.720.8-178.200000114.5A354 A355 Q394A354-G358 PolarHBondContact O-N 2.86Å; A355-G358 PolarHBondContact O-N 3.06Å; G358-Q394 PolarHBondContact O-NE2 3.22Å
359K96.4Very high96.7Very high29 Ų2937.9 Ų37.913%0.12622%0.219CC..  trans-85.5152.6-173.4-61.1-68.4167.4179.80112.5V258 G261 E262 L264 A354 S357 Q394V258-K359 HydrophobicContact CG2-CG 4.28Å; G261-K359 WeakPolarHBondContact O-CD 3.36Å; G261-K359 WeakPolarHBondContact O-CE 3.45Å; G261-K359 PolarHBondContact O-NZ 3.34Å; E262-K359 WeakPolarHBondContact O-CD 3.2Å; E262-K359 IonicContact OE2-NZ 3.24Å; E262-K359 PolarHBondContact OE2-NZ 2.71Å; L264-K359 HydrophobicContact CG-CB 4.48Å; A354-K359 PolarHBondContact O-N 2.96Å; S357-K359 VanDerWaalsContact C-N 3.26Å; S357-K359 PolarHBondContact O-N 2.73Å; S357-K359 VanDerWaalsContact OG-CG 3.23Å; S357-K359 WeakPolarHBondContact OG-CG 3.26Å; K359-Q394 PolarHBondContact O-NE2 3.09Å
360L97.3Very high96.5Very high51 Ų5144.4 Ų44.427%0.26724%0.243SC..EExtended strand (participates in β ladder)trans-70.2148.2171.5-68.2174.9000110.4E262 G263 L264 Q394E262-L360 PolarHBondContact O-N 3.47Å; E262-L360 VanDerWaalsContact O-N 3.11Å; G263-L360 CarbonylContact C-O 3.45Å; G263-L360 WeakPolarHBondContact CA-O 3.13Å; L264-L360 PolarHBondContact N-O 2.64Å; L360-Q394 WeakPolarHBondContact CA-O 3.4Å
361V97.8Very high96.3Very high0 Ų047.8 Ų47.80%028%0.278CS..EExtended strand (participates in β ladder)trans-119.9124.1178.6167.40000109.3L264 F350 L351 A354 F363 I390 Q394 V395 L396L264-V361 WeakPolarHBondContact O-CA 3.36Å; F350-V361 HydrophobicContact CE1-CB 4.45Å; F350-V361 HydrophobicContact CE1-CG1 3.52Å; F350-V361 HydrophobicContact CE1-CG2 4.11Å; F350-V361 HydrophobicContact CZ-CG1 3.9Å; F350-V361 HydrophobicContact CZ-CG2 4.14Å; L351-V361 HydrophobicContact CD2-CG1 4.05Å; L351-V361 HydrophobicContact CD2-CG2 4.23Å; A354-V361 HydrophobicContact CB-CG2 3.31Å; V361-F363 HydrophobicContact CG1-CD1 3.78Å; V361-F363 HydrophobicContact CG1-CE1 4.34Å; V361-I390 HydrophobicContact CG2-CD1 3.72Å; V361-Q394 PolarHBondContact N-O 3.38Å; V361-V395 HydrophobicContact CB-CG2 4.28Å; V361-V395 WeakPolarHBondContact O-CA 3.39Å; V361-L396 WeakPolarHBondContact O-CB 3.28Å; V361-L396 PolarHBondContact O-N 3.43Å
362L97.5Very high96.2Very high3 Ų348.2 Ų48.22%0.01628%0.28CS..EExtended strand (participates in β ladder)trans-115.4138.6168.4179.563.9000107.6L264 E265 T266 L396 L398L264-L362 PolarHBondContact O-N 2.89Å; E265-L362 WeakPolarHBondContact CA-O 3.34Å; E265-L362 HydrophobicContact CB-CB 4.2Å; E265-L362 HydrophobicContact CB-CD2 4.43Å; E265-L362 HydrophobicContact CG-CB 4.17Å; E265-L362 HydrophobicContact CG-CD2 3.94Å; E265-L362 HydrophobicContact CG-CG 4.02Å; T266-L362 PolarHBondContact N-O 3.29Å; T266-L362 VanDerWaalsContact N-O 3.14Å; L362-L396 HydrophobicContact CB-CB 4.37Å; L362-L396 HydrophobicContact CB-CD1 4.37Å; L362-L396 HydrophobicContact CD1-CB 3.75Å; L362-L396 HydrophobicContact CD1-CD1 4.39Å; L362-L398 HydrophobicContact CD1-CB 4.14Å; L362-L398 HydrophobicContact CD1-CD2 4.25Å
363F96.5Very high96.1Very high0 Ų047 Ų470%028%0.281CS..EExtended strand (participates in β ladder)trans-151.1149.3170.462-95.9000113.5T266 V268 V361 L365 T382 V386 V395 W397 L398T266-F363 HydrophobicContact CG2-CB 3.73Å; T266-F363 CarbonylContact O-C 3.56Å; T266-F363 WeakPolarHBondContact O-CA 3.49Å; T266-F363 WeakPolarHBondContact O-CB 3.11Å; V268-F363 HydrophobicContact CB-CD2 4.37Å; V268-F363 HydrophobicContact CG2-CB 3.99Å; V268-F363 HydrophobicContact CG2-CD2 3.86Å; V268-F363 HydrophobicContact CG2-CG 3.99Å; V361-F363 HydrophobicContact CG1-CD1 3.78Å; V361-F363 HydrophobicContact CG1-CE1 4.34Å; F363-L365 HydrophobicContact CD2-CB 4.27Å; F363-L365 HydrophobicContact CE2-CB 4.14Å; F363-T382 HydrophobicContact CE2-CG2 4.11Å; F363-T382 HydrophobicContact CZ-CG2 4.16Å; F363-V386 HydrophobicContact CE1-CG2 4.38Å; F363-V386 HydrophobicContact CZ-CG2 4.34Å; F363-V395 HydrophobicContact CD1-CG1 4.43Å; F363-V395 HydrophobicContact CE1-CG1 3.64Å; F363-V395 HydrophobicContact CZ-CG1 4.41Å; F363-W397 HydrophobicContact CE2-CE3 4.35Å; F363-W397 HydrophobicContact CE2-CZ3 4.1Å; F363-W397 AromaticContact CZ-CE3 3.71Å; F363-W397 HydrophobicContact CZ-CE3 3.71Å; F363-W397 HydrophobicContact CZ-CH2 4.42Å; F363-W397 AromaticContact CZ-CZ3 3.57Å; F363-W397 HydrophobicContact CZ-CZ3 3.57Å; F363-L398 WeakPolarHBondContact O-CB 3.05Å
364D94.9Very high96.1Very high69 Ų6949.3 Ų49.337%0.36929%0.287SS..EExtended strand (participates in β ladder)trans-86.7128.5165.8-85.3-49.3000110T266 V268 L398T266-D364 PolarHBondContact O-N 3.41Å; V268-D364 PolarHBondContact N-O 2.94Å; D364-L398 WeakPolarHBondContact OD1-CD2 3.42Å
365L95.4Very high96Very high19 Ų1951.6 Ų51.610%0.09930%0.295CS..EExtended strand (participates in β ladder)trans-105.6111.8176-174.562.6000110.1V268 F363 Y378 I379 T382 W397 P399V268-L365 HydrophobicContact CB-CD1 3.87Å; V268-L365 HydrophobicContact CG1-CD1 3.71Å; F363-L365 HydrophobicContact CD2-CB 4.27Å; F363-L365 HydrophobicContact CE2-CB 4.14Å; L365-Y378 HydrophobicContact CD1-CD2 4.3Å; L365-Y378 HydrophobicContact CD2-CD2 3.68Å; L365-Y378 HydrophobicContact CD2-CE2 3.58Å; L365-Y378 HydrophobicContact CG-CD2 3.79Å; L365-Y378 HydrophobicContact CG-CE2 3.69Å; L365-I379 HydrophobicContact CD2-CG1 4.18Å; L365-T382 HydrophobicContact CD1-CG2 4.05Å; L365-T382 WeakPolarHBondContact CD1-OG1 3.44Å; L365-T382 HydrophobicContact CD2-CG2 4.2Å; L365-W397 HydrophobicContact CD2-CH2 4.17Å; L365-W397 HydrophobicContact CD2-CZ2 4.32Å; L365-P399 HydrophobicContact CB-CB 4.49Å; L365-P399 HydrophobicContact CB-CG 3.52Å; L365-P399 HydrophobicContact CD2-CG 4.44Å
366R94.3Very high95.8Very high63 Ų6361.7 Ų61.724%0.23833%0.326CS..PPolyproline II helixtrans-89.2132.1178179.8175.544.8-138.8-18.9111.4V268 M279 H280 D281 P368V268-R366 PolarHBondContact O-N 3.06Å; M279-R366 PolarHBondContact O-NH2 2.64Å; H280-R366 PolarHBondContact O-NH1 3.47Å; D281-R366 VanDerWaalsContact O-CZ 3.28Å; D281-R366 PolarHBondContact O-NH1 3.1Å; D281-R366 PolarHBondContact O-NH2 2.83Å; R366-P368 WeakPolarHBondContact O-CD 3.47Å
367R94.9Very high95.7Very high109 Ų10959.3 Ų59.341%0.41130%0.303SS..PPolyproline II helixtrans-69.5124.1172.7-173-174-74.1-156-9.2110.8R375 Y378 E401R367-R375 HydrophobicContact CG-CG 4.16Å; R367-Y378 HydrophobicContact CB-CE1 4.29Å; R367-Y378 HydrophobicContact CB-CE2 4.24Å; R367-Y378 HydrophobicContact CG-CD1 4.27Å; R367-Y378 HydrophobicContact CG-CE1 3.91Å; R367-E401 IonicContact CZ-OE1 2.71Å; R367-E401 IonicContact CZ-OE2 3.49Å; R367-E401 IonicContact NE-OE1 3.5Å; R367-E401 IonicContact NE-OE2 3.94Å; R367-E401 PolarHBondContact NE-OE2 3.31Å; R367-E401 VanDerWaalsContact NH2-CD 3.25Å; R367-E401 IonicContact NH2-OE1 3.44Å; R367-E401 PolarHBondContact NH2-OE1 3.49Å; R367-E401 IonicContact NH2-OE2 3.75Å; R367-E401 PolarHBondContact NH2-OE2 2.99Å
368P95.6Very high95.6Very high1 Ų157.9 Ų57.91%0.00629%0.292CS..PPolyproline II helixtrans-58.6152176.5-25.534.6000113I270 A303 R366 H372 R375I270-P368 HydrophobicContact CB-CG 4.16Å; A303-P368 HydrophobicContact CB-CB 4.21Å; R366-P368 WeakPolarHBondContact O-CD 3.47Å; P368-H372 HydrophobicContact CB-CB 3.78Å; P368-H372 VanDerWaalsContact CB-CG 3.49Å; P368-R375 WeakPolarHBondContact O-CD 3.46Å; P368-R375 WeakPolarHBondContact O-CG 3.42Å; P368-R375 PolarHBondContact O-NH1 3.06Å
369P95.4Very high95.6Very high32 Ų3255.9 Ų55.921%0.20827%0.269CS..PPolyproline II helixtrans-64.8169.1-173.628.7-37.5000114D301 A303 M304 H372 R375D301-P369 HydrophobicContact CB-CG 3.98Å; A303-P369 HydrophobicContact CB-CG 4.47Å; M304-P369 HydrophobicContact CG-CG 3.96Å; M304-P369 HydrophobicContact SD-CG 3.9Å; P369-H372 WeakPolarHBondContact O-CB 3.48Å; P369-H372 PolarHBondContact O-N 3.1Å; P369-R375 WeakPolarHBondContact O-CD 3.31Å
370Y94.4Very high95.5Very high200 Ų20058.3 Ų58.378%0.78428%0.283SS*.THydrogen-bonded Turntrans-59138.9177.5-71.9-75.8000111.7H372 R375Y370-H372 VanDerWaalsContact C-N 3.3Å; Y370-R375 VanDerWaalsContact CE1-NH2 3.32Å; Y370-R375 PolarHBondContact OH-NH2 3.02Å
371G93.6Very high95.4Very high72 Ų7256.8 Ų56.874%0.74228%0.276SS*.THydrogen-bonded Turntrans86.5-8.6-176.200000114.7
372H97.1Very high95.3Very high8 Ų856.8 Ų56.84%0.03728%0.276CS..  trans-70.4132.5176.3-169-84.2000111.9S271 Y272 A303 M304 P368 P369 Y370 Y374 R375S271-H372 PolarHBondContact O-CE1 3.43Å; S271-H372 VanDerWaalsContact O-CE1 3.25Å; S271-H372 PolarHBondContact O-NE2 3.34Å; Y272-H372 WeakPolarHBondContact CA-NE2 3.31Å; A303-H372 PolarHBondContact O-CD2 3.48Å; A303-H372 VanDerWaalsContact O-CD2 3.27Å; A303-H372 PolarHBondContact O-NE2 3.32Å; M304-H372 HydrophobicContact SD-CB 4.48Å; P368-H372 HydrophobicContact CB-CB 3.78Å; P368-H372 VanDerWaalsContact CB-CG 3.49Å; P369-H372 WeakPolarHBondContact O-CB 3.48Å; P369-H372 PolarHBondContact O-N 3.1Å; Y370-H372 VanDerWaalsContact C-N 3.3Å; H372-Y374 VanDerWaalsContact C-N 3.28Å; H372-Y374 AromaticContact CE1-CD2 3.87Å; H372-Y374 PolarHBondContact ND1-N 2.91Å; H372-Y374 VanDerWaalsContact ND1-N 3.13Å; H372-Y374 PolarHBondContact O-N 3.03Å; H372-R375 HydrophobicContact CB-CB 4.3Å; H372-R375 WeakPolarHBondContact O-CB 3.46Å; H372-R375 PolarHBondContact O-N 3.28Å; H372-R375 VanDerWaalsContact O-N 3.15Å
373P96.8Very high95.2Very high77 Ų7756.8 Ų56.850%0.528%0.276SS..THydrogen-bonded Turntrans-56.6-39-176.2-25.433.4000113.7Y272Y272-P373 HydrophobicContact CE2-CG 4.1Å
374Y96.4Very high95.1Very high78 Ų7862.1 Ų62.131%0.30630%0.301SS..THydrogen-bonded Turntrans-92.66.8-176.8-62.5-90.9000114.6I270 D273 G274 H372 R376 S377 Y378I270-Y374 HydrophobicContact CG2-CG 4.42Å; D273-Y374 VanDerWaalsContact C-CE2 3.48Å; D273-Y374 PolarHBondContact O-OH 3.12Å; D273-Y374 VanDerWaalsContact O-OH 3.1Å; G274-Y374 VanDerWaalsContact CA-CZ 3.47Å; H372-Y374 VanDerWaalsContact C-N 3.28Å; H372-Y374 AromaticContact CE1-CD2 3.87Å; H372-Y374 PolarHBondContact ND1-N 2.91Å; H372-Y374 VanDerWaalsContact ND1-N 3.13Å; H372-Y374 PolarHBondContact O-N 3.03Å; Y374-R376 PolarHBondContact O-N 3Å; Y374-S377 CarbonylContact O-C 3.29Å; Y374-S377 PolarHBondContact O-N 3.4Å; Y374-S377 VanDerWaalsContact O-N 3.08Å; Y374-Y378 WeakPolarHBondContact O-CB 3.36Å; Y374-Y378 PolarHBondContact O-N 3.35Å
375R94.9Very high95.3Very high48 Ų4860.1 Ų60.118%0.18129%0.291CS..THydrogen-bonded Turntrans-55.7-31.9-176177.4173175.191.4-4.4113.7R367 P368 P369 Y370 H372 Y378R367-R375 HydrophobicContact CG-CG 4.16Å; P368-R375 WeakPolarHBondContact O-CD 3.46Å; P368-R375 WeakPolarHBondContact O-CG 3.42Å; P368-R375 PolarHBondContact O-NH1 3.06Å; P369-R375 WeakPolarHBondContact O-CD 3.31Å; Y370-R375 VanDerWaalsContact CE1-NH2 3.32Å; Y370-R375 PolarHBondContact OH-NH2 3.02Å; H372-R375 HydrophobicContact CB-CB 4.3Å; H372-R375 WeakPolarHBondContact O-CB 3.46Å; H372-R375 PolarHBondContact O-N 3.28Å; H372-R375 VanDerWaalsContact O-N 3.15Å; R375-Y378 WeakPolarHBondContact O-CD1 3.09Å
376R93.9Very high95.3Very high250 Ų25059.2 Ų59.294%0.94329%0.286SS*.THydrogen-bonded Turntrans-91.6-21.5-179.9-67.2-174.4179.1177.30.1113.9Y374Y374-R376 PolarHBondContact O-N 3Å
377S94.4Very high95.3Very high45 Ų4560.6 Ų60.632%0.31530%0.295SS..THydrogen-bonded Turntrans-109.59.8-17653.40000112.8Y374 I379 N380 T381Y374-S377 CarbonylContact O-C 3.29Å; Y374-S377 PolarHBondContact O-N 3.4Å; Y374-S377 VanDerWaalsContact O-N 3.08Å; S377-I379 PolarHBondContact O-N 3.49Å; S377-N380 PolarHBondContact O-N 2.95Å; S377-T381 PolarHBondContact O-N 2.93Å; S377-T381 PolarHBondContact O-OG1 2.95Å
378Y94.6Very high95.4Very high9 Ų958.9 Ų58.94%0.03530%0.304CS..Hα-helixtrans-61.1-43.6-17279.4-75.5000112.7I270 L365 R367 Y374 R375 N380 T381 T382 E401I270-Y378 VanDerWaalsContact CD1-CA 3.41Å; I270-Y378 VanDerWaalsContact CD1-CB 3.46Å; L365-Y378 HydrophobicContact CD1-CD2 4.3Å; L365-Y378 HydrophobicContact CD2-CD2 3.68Å; L365-Y378 HydrophobicContact CD2-CE2 3.58Å; L365-Y378 HydrophobicContact CG-CD2 3.79Å; L365-Y378 HydrophobicContact CG-CE2 3.69Å; R367-Y378 HydrophobicContact CB-CE1 4.29Å; R367-Y378 HydrophobicContact CB-CE2 4.24Å; R367-Y378 HydrophobicContact CG-CD1 4.27Å; R367-Y378 HydrophobicContact CG-CE1 3.91Å; Y374-Y378 WeakPolarHBondContact O-CB 3.36Å; Y374-Y378 PolarHBondContact O-N 3.35Å; R375-Y378 WeakPolarHBondContact O-CD1 3.09Å; Y378-N380 PolarHBondContact O-N 2.88Å; Y378-T381 PolarHBondContact O-N 3.2Å; Y378-T382 WeakPolarHBondContact O-CB 3.31Å; Y378-T382 PolarHBondContact O-N 2.97Å; Y378-T382 PolarHBondContact O-OG1 3.23Å; Y378-T382 VanDerWaalsContact O-OG1 3.1Å; Y378-E401 PolarHBondContact OH-OE2 3Å
379I94.9Very high95.5Very high11 Ų1161.9 Ų61.96%0.05632%0.318CS..Hα-helixtrans-58.1-49.4175.1-67173.7000111.2L365 S377 T381 T382 L383 W397 E401 D402 V406L365-I379 HydrophobicContact CD2-CG1 4.18Å; S377-I379 PolarHBondContact O-N 3.49Å; I379-T381 VanDerWaalsContact C-N 3.34Å; I379-T381 PolarHBondContact O-N 3.44Å; I379-T382 PolarHBondContact O-N 3.28Å; I379-L383 WeakPolarHBondContact O-CB 3.31Å; I379-L383 PolarHBondContact O-N 2.82Å; I379-W397 HydrophobicContact CG2-CH2 4.32Å; I379-W397 HydrophobicContact CG2-CZ2 3.99Å; I379-E401 HydrophobicContact CD1-CB 4.09Å; I379-D402 HydrophobicContact CD1-CB 3.98Å; I379-V406 HydrophobicContact CG2-CG2 3.67Å
380N94.3Very high95.5Very high79 Ų7961 Ų6142%0.42231%0.312SS..Hα-helixtrans-63.8-40.8-179.6-171.928.5000111.7S377 Y378 L383 Q384S377-N380 PolarHBondContact O-N 2.95Å; Y378-N380 PolarHBondContact O-N 2.88Å; N380-L383 PolarHBondContact O-N 3.36Å; N380-Q384 WeakPolarHBondContact O-CG 3.35Å; N380-Q384 PolarHBondContact O-N 2.94Å
381T95.5Very high95.6Very high19 Ų1956 Ų5612%0.11730%0.298CS..Hα-helixtrans-63-44.4178.2-50.30000110.8I270 G274 P276 S377 Y378 I379 V385I270-T381 HydrophobicContact CD1-CG2 4.23Å; G274-T381 WeakPolarHBondContact O-CG2 3.49Å; P276-T381 HydrophobicContact CG-CG2 4.07Å; S377-T381 PolarHBondContact O-N 2.93Å; S377-T381 PolarHBondContact O-OG1 2.95Å; Y378-T381 PolarHBondContact O-N 3.2Å; I379-T381 VanDerWaalsContact C-N 3.34Å; I379-T381 PolarHBondContact O-N 3.44Å; T381-V385 PolarHBondContact O-N 2.93Å
382T96.1Very high95.7Very high0 Ų053.2 Ų53.20%027%0.267CS..Hα-helixtrans-64.5-44.8175.1-62.30000111.8L347 F363 L365 Y378 I379 Q384 V385 V386 W397L347-T382 HydrophobicContact CD2-CG2 3.76Å; F363-T382 HydrophobicContact CE2-CG2 4.11Å; F363-T382 HydrophobicContact CZ-CG2 4.16Å; L365-T382 HydrophobicContact CD1-CG2 4.05Å; L365-T382 WeakPolarHBondContact CD1-OG1 3.44Å; L365-T382 HydrophobicContact CD2-CG2 4.2Å; Y378-T382 WeakPolarHBondContact O-CB 3.31Å; Y378-T382 PolarHBondContact O-N 2.97Å; Y378-T382 PolarHBondContact O-OG1 3.23Å; Y378-T382 VanDerWaalsContact O-OG1 3.1Å; I379-T382 PolarHBondContact O-N 3.28Å; T382-Q384 VanDerWaalsContact C-N 3.33Å; T382-Q384 PolarHBondContact O-N 3.27Å; T382-V385 PolarHBondContact O-N 3.06Å; T382-V385 VanDerWaalsContact O-N 3.15Å; T382-V386 HydrophobicContact CG2-CG2 4.48Å; T382-V386 WeakPolarHBondContact O-CG2 3.28Å; T382-V386 PolarHBondContact O-N 2.96Å; T382-W397 HydrophobicContact CG2-CH2 4.27Å; T382-W397 HydrophobicContact CG2-CZ3 4.33Å
383L95.1Very high95.5Very high3 Ų355.2 Ų55.22%0.01628%0.282CS..Hα-helixtrans-60.8-41.4-179.2-174.764.1000112.1I379 N380 V385 V386 Q387 L409 D410 L413I379-L383 WeakPolarHBondContact O-CB 3.31Å; I379-L383 PolarHBondContact O-N 2.82Å; N380-L383 PolarHBondContact O-N 3.36Å; L383-V385 VanDerWaalsContact C-N 3.29Å; L383-V385 PolarHBondContact O-N 2.97Å; L383-V386 PolarHBondContact O-N 3.23Å; L383-Q387 HydrophobicContact CD1-CG 4.38Å; L383-Q387 HydrophobicContact CG-CG 4.44Å; L383-Q387 WeakPolarHBondContact O-CG 3.17Å; L383-Q387 PolarHBondContact O-N 3.45Å; L383-L409 HydrophobicContact CD2-CB 3.84Å; L383-L409 HydrophobicContact CD2-CD1 3.81Å; L383-L409 HydrophobicContact CD2-CG 4.49Å; L383-D410 HydrophobicContact CD1-CB 4.19Å; L383-L413 HydrophobicContact CD1-CD1 3.6Å
384Q95.4Very high95.5Very high113 Ų11353.1 Ų53.153%0.52827%0.266SS..Hα-helixtrans-58.6-40.7175.6-74.9174.5-3.600112.3N380 T382 A388N380-Q384 WeakPolarHBondContact O-CG 3.35Å; N380-Q384 PolarHBondContact O-N 2.94Å; T382-Q384 VanDerWaalsContact C-N 3.33Å; T382-Q384 PolarHBondContact O-N 3.27Å; Q384-A388 WeakPolarHBondContact O-CB 3.15Å; Q384-A388 PolarHBondContact O-N 3.47Å
385V97.2Very high95.5Very high27 Ų2749.4 Ų49.416%0.16425%0.251CS..Hα-helixtrans-68.7-41.7177177.70000110.8P276 L347 A348 L351 T381 T382 L383 A388 H389P276-V385 HydrophobicContact CG-CG2 4Å; L347-V385 HydrophobicContact CB-CG1 4.21Å; L347-V385 HydrophobicContact CD2-CB 4.16Å; L347-V385 HydrophobicContact CD2-CG1 3.99Å; L347-V385 HydrophobicContact CG-CG1 3.99Å; A348-V385 HydrophobicContact CB-CG1 4.05Å; L351-V385 HydrophobicContact CD1-CG1 4.25Å; T381-V385 PolarHBondContact O-N 2.93Å; T382-V385 PolarHBondContact O-N 3.06Å; T382-V385 VanDerWaalsContact O-N 3.15Å; L383-V385 VanDerWaalsContact C-N 3.29Å; L383-V385 PolarHBondContact O-N 2.97Å; V385-A388 PolarHBondContact O-N 2.81Å; V385-H389 PolarHBondContact O-N 3.19Å; V385-H389 PolarHBondContact O-ND1 2.9Å
386V96.7Very high95.6Very high0 Ų047.2 Ų47.20%024%0.243CC..Hα-helixtrans-57.8-53.2177171.20000111.1L347 L351 F363 T382 L383 A388 H389 I390 V395 L413L347-V386 HydrophobicContact CD2-CG2 4.48Å; L351-V386 HydrophobicContact CD1-CB 4.39Å; L351-V386 HydrophobicContact CD1-CG2 4.02Å; F363-V386 HydrophobicContact CE1-CG2 4.38Å; F363-V386 HydrophobicContact CZ-CG2 4.34Å; T382-V386 HydrophobicContact CG2-CG2 4.48Å; T382-V386 WeakPolarHBondContact O-CG2 3.28Å; T382-V386 PolarHBondContact O-N 2.96Å; L383-V386 PolarHBondContact O-N 3.23Å; V386-A388 PolarHBondContact O-N 2.9Å; V386-H389 PolarHBondContact O-N 3.34Å; V386-I390 HydrophobicContact CG1-CG2 3.97Å; V386-I390 WeakPolarHBondContact O-CG2 3.27Å; V386-I390 PolarHBondContact O-N 2.67Å; V386-I390 VanDerWaalsContact O-N 3.13Å; V386-V395 HydrophobicContact CG1-CG2 3.93Å; V386-L413 HydrophobicContact CG1-CD2 4.14Å
387Q95.1Very high95.7Very high92 Ų9235.3 Ų35.343%0.4320%0.198SC..Hα-helixtrans-61.8-26.6-178.4-70.9-179.3-31.100113.6L383 D410L383-Q387 HydrophobicContact CD1-CG 4.38Å; L383-Q387 HydrophobicContact CG-CG 4.44Å; L383-Q387 WeakPolarHBondContact O-CG 3.17Å; L383-Q387 PolarHBondContact O-N 3.45Å; Q387-D410 WeakPolarHBondContact CG-OD2 3.41Å; Q387-D410 PolarHBondContact NE2-OD2 2.78Å; Q387-D410 VanDerWaalsContact NE2-OD2 3.1Å
388A96.4Very high95.6Very high73 Ų7333.8 Ų33.860%0.60319%0.186SC*.Hα-helixtrans-83.6-25.6-178.800000114Q384 V385 V386Q384-A388 WeakPolarHBondContact O-CB 3.15Å; Q384-A388 PolarHBondContact O-N 3.47Å; V385-A388 PolarHBondContact O-N 2.81Å; V386-A388 PolarHBondContact O-N 2.9Å
389H97.1Very high95.4Very high64 Ų6434.1 Ų34.130%0.29619%0.19SC..Hα-helixtrans-120.6-16.7-167-60.882.6000115.1L351 E352 V385 V386L351-H389 HydrophobicContact CB-CB 3.88Å; L351-H389 HydrophobicContact CD1-CB 4.25Å; E352-H389 IonicContact OE1-CD2 2.79Å; E352-H389 PolarHBondContact OE1-CD2 3.07Å; V385-H389 PolarHBondContact O-N 3.19Å; V385-H389 PolarHBondContact O-ND1 2.9Å; V386-H389 PolarHBondContact O-N 3.34Å
390I96.6Very high95Very high13 Ų1337.6 Ų37.67%0.06722%0.215CC..SBendtrans-141.6157.1179.2-164.7162.6000111.3L351 A354 A355 V361 V386 S392 Q394 V395L351-I390 HydrophobicContact CB-CB 4.35Å; L351-I390 HydrophobicContact CD1-CG2 4.24Å; L351-I390 HydrophobicContact CD2-CB 4.46Å; L351-I390 HydrophobicContact CD2-CD1 4.38Å; L351-I390 HydrophobicContact CD2-CG2 3.95Å; L351-I390 HydrophobicContact CG-CG2 4.47Å; A354-I390 HydrophobicContact CB-CD1 3.87Å; A355-I390 HydrophobicContact CB-CB 4.35Å; A355-I390 HydrophobicContact CB-CD1 4.4Å; A355-I390 HydrophobicContact CB-CG1 4Å; V361-I390 HydrophobicContact CG2-CD1 3.72Å; V386-I390 HydrophobicContact CG1-CG2 3.97Å; V386-I390 WeakPolarHBondContact O-CG2 3.27Å; V386-I390 PolarHBondContact O-N 2.67Å; V386-I390 VanDerWaalsContact O-N 3.13Å; I390-S392 PolarHBondContact O-N 2.88Å; I390-Q394 HydrophobicContact CD1-CB 4.07Å; I390-Q394 HydrophobicContact CG1-CB 4.24Å; I390-V395 HydrophobicContact CG2-CG2 3.59Å
391N96Very high94.6Very high95 Ų9537.2 Ų37.251%0.50821%0.211SC..  trans-69118.4167.3-177-19.5000109S393 Q394N391-S393 PolarHBondContact ND2-OG 2.83Å; N391-S393 PolarHBondContact O-N 2.92Å; N391-S393 PolarHBondContact OD1-N 3.2Å; N391-S393 VanDerWaalsContact OD1-N 3.12Å; N391-S393 PolarHBondContact OD1-OG 2.66Å; N391-Q394 HydrophobicContact CB-CG 4.36Å; N391-Q394 WeakPolarHBondContact O-CB 3.33Å; N391-Q394 PolarHBondContact O-N 2.87Å
392S94.3Very high94.2Very high13 Ų1341 Ų419%0.09123%0.23CC..G310 helixtrans-53.3-28.4-177.8-56.60000113.9I390 Q394 V395 D410I390-S392 PolarHBondContact O-N 2.88Å; S392-Q394 PolarHBondContact O-N 3.22Å; S392-V395 PolarHBondContact O-N 3.22Å; S392-D410 WeakPolarHBondContact CB-OD1 3.42Å; S392-D410 VanDerWaalsContact CB-OD2 3.26Å; S392-D410 WeakPolarHBondContact CB-OD2 3.22Å; S392-D410 PolarHBondContact OG-OD2 2.95Å
393S94.6Very high93.9Very high50 Ų5042.3 Ų42.335%0.3524%0.235SC..G310 helixtrans-63.1-19174.461.80000114.6N391 V395 A412 Q414N391-S393 PolarHBondContact ND2-OG 2.83Å; N391-S393 PolarHBondContact O-N 2.92Å; N391-S393 PolarHBondContact OD1-N 3.2Å; N391-S393 VanDerWaalsContact OD1-N 3.12Å; N391-S393 PolarHBondContact OD1-OG 2.66Å; S393-V395 VanDerWaalsContact C-N 3.32Å; S393-A412 VanDerWaalsContact CA-O 3.3Å; S393-A412 WeakPolarHBondContact CA-O 2.96Å; S393-Q414 PolarHBondContact O-NE2 3.13Å
394Q95.6Very high93.6Very high34 Ų3446.5 Ų46.516%0.15927%0.27CS..G310 helixtrans-83.1-10.2175.3-60.5177.9-86.600112.8G358 K359 L360 V361 I390 N391 S392G358-Q394 PolarHBondContact O-NE2 3.22Å; K359-Q394 PolarHBondContact O-NE2 3.09Å; L360-Q394 WeakPolarHBondContact CA-O 3.4Å; V361-Q394 PolarHBondContact N-O 3.38Å; I390-Q394 HydrophobicContact CD1-CB 4.07Å; I390-Q394 HydrophobicContact CG1-CB 4.24Å; N391-Q394 HydrophobicContact CB-CG 4.36Å; N391-Q394 WeakPolarHBondContact O-CB 3.33Å; N391-Q394 PolarHBondContact O-N 2.87Å; S392-Q394 PolarHBondContact O-N 3.22Å
395V97.1Very high93.3Very high0 Ų045.8 Ų45.80%027%0.269CS..EExtended strand (participates in β ladder)trans-100.5122.1-171.7-179.90000110.8V361 F363 V386 I390 S392 S393 W397 L413 Q414V361-V395 HydrophobicContact CB-CG2 4.28Å; V361-V395 WeakPolarHBondContact O-CA 3.39Å; F363-V395 HydrophobicContact CD1-CG1 4.43Å; F363-V395 HydrophobicContact CE1-CG1 3.64Å; F363-V395 HydrophobicContact CZ-CG1 4.41Å; V386-V395 HydrophobicContact CG1-CG2 3.93Å; I390-V395 HydrophobicContact CG2-CG2 3.59Å; S392-V395 PolarHBondContact O-N 3.22Å; S393-V395 VanDerWaalsContact C-N 3.32Å; V395-W397 PolarHBondContact O-N 3.31Å; V395-L413 HydrophobicContact CB-CD2 3.61Å; V395-L413 HydrophobicContact CG1-CD2 3.81Å; V395-L413 HydrophobicContact CG2-CD2 4.4Å; V395-Q414 PolarHBondContact O-N 2.88Å
396L96.5Very high93Very high2 Ų244.5 Ų44.51%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-86.996.1171.4-55.1-173.2000108.6V361 L362 L398 Q414 W433V361-L396 WeakPolarHBondContact O-CB 3.28Å; V361-L396 PolarHBondContact O-N 3.43Å; L362-L396 HydrophobicContact CB-CB 4.37Å; L362-L396 HydrophobicContact CB-CD1 4.37Å; L362-L396 HydrophobicContact CD1-CB 3.75Å; L362-L396 HydrophobicContact CD1-CD1 4.39Å; L396-L398 PolarHBondContact O-N 3.42Å; L396-L398 VanDerWaalsContact O-N 3.11Å; L396-Q414 CarbonylContact C-O 3.58Å; L396-Q414 WeakPolarHBondContact CA-O 3.37Å; L396-Q414 HydrophobicContact CD2-CB 3.76Å; L396-Q414 HydrophobicContact CD2-CG 4.34Å; L396-W433 HydrophobicContact CD1-CD2 4.3Å; L396-W433 HydrophobicContact CD1-CE3 4.38Å; L396-W433 HydrophobicContact CD2-CD2 4.18Å; L396-W433 HydrophobicContact CD2-CG 4.05Å
397W95.5Very high92.7Very high0 Ų047.1 Ų47.10%028%0.28CS..EExtended strand (participates in β ladder)trans-78.496.5-178.1-171.2-88.6000111.2F363 L365 I379 T382 V395 P399 R403 V406 L413 Q414 T416F363-W397 HydrophobicContact CE2-CE3 4.35Å; F363-W397 HydrophobicContact CE2-CZ3 4.1Å; F363-W397 AromaticContact CZ-CE3 3.71Å; F363-W397 HydrophobicContact CZ-CE3 3.71Å; F363-W397 HydrophobicContact CZ-CH2 4.42Å; F363-W397 AromaticContact CZ-CZ3 3.57Å; F363-W397 HydrophobicContact CZ-CZ3 3.57Å; L365-W397 HydrophobicContact CD2-CH2 4.17Å; L365-W397 HydrophobicContact CD2-CZ2 4.32Å; I379-W397 HydrophobicContact CG2-CH2 4.32Å; I379-W397 HydrophobicContact CG2-CZ2 3.99Å; T382-W397 HydrophobicContact CG2-CH2 4.27Å; T382-W397 HydrophobicContact CG2-CZ3 4.33Å; V395-W397 PolarHBondContact O-N 3.31Å; W397-P399 HydrophobicContact CZ2-CB 4.35Å; W397-P399 HydrophobicContact CZ2-CG 4.16Å; W397-P399 PolarHBondContact NE1-O 3.1Å; W397-R403 PolarHBondContact O-NH1 3.01Å; W397-V406 HydrophobicContact CD2-CG1 4.01Å; W397-V406 HydrophobicContact CG-CG1 4.2Å; W397-V406 HydrophobicContact CZ2-CG1 4.38Å; W397-V406 HydrophobicContact CZ2-CG2 3.98Å; W397-L413 HydrophobicContact CB-CB 4.37Å; W397-L413 HydrophobicContact CD2-CD1 4.29Å; W397-L413 HydrophobicContact CE3-CD1 3.95Å; W397-Q414 PolarHBondContact N-O 3.37Å; W397-T416 PolarHBondContact O-N 3.29Å
398L92.8Very high92.4Very high12 Ų1245.8 Ų45.86%0.06329%0.291CS..  trans-75.8-36.1-178.8-172.158.1000115.5L362 F363 D364 L396 S400 T416 N435L362-L398 HydrophobicContact CD1-CB 4.14Å; L362-L398 HydrophobicContact CD1-CD2 4.25Å; F363-L398 WeakPolarHBondContact O-CB 3.05Å; D364-L398 WeakPolarHBondContact OD1-CD2 3.42Å; L396-L398 PolarHBondContact O-N 3.42Å; L396-L398 VanDerWaalsContact O-N 3.11Å; L398-S400 PolarHBondContact O-N 3.14Å; L398-T416 HydrophobicContact CD1-CG2 3.76Å; L398-N435 HydrophobicContact CD1-CB 3.73Å; L398-N435 WeakPolarHBondContact CD2-ND2 3.5Å
399P90.1Very high92.2Very high16 Ų1646.7 Ų46.710%0.10429%0.285CS..  trans-58.6126.2-177.6-25.534.8000112.4L365 W397L365-P399 HydrophobicContact CB-CB 4.49Å; L365-P399 HydrophobicContact CB-CG 3.52Å; L365-P399 HydrophobicContact CD2-CG 4.44Å; W397-P399 HydrophobicContact CZ2-CB 4.35Å; W397-P399 HydrophobicContact CZ2-CG 4.16Å; W397-P399 PolarHBondContact NE1-O 3.1Å
400S87.1Confident91.9Very high84 Ų8444.2 Ų44.259%0.58727%0.274SS*.  trans-82.3-16.817859.40000113.5L398L398-S400 PolarHBondContact O-N 3.14Å
401E86.5Confident91.7Very high72 Ų7248.7 Ų48.734%0.33630%0.304SS..THydrogen-bonded Turntrans-68.8137.2179.8-60.9-171.4177.500111.3R367 Y378 I379 R403R367-E401 IonicContact CZ-OE1 2.71Å; R367-E401 IonicContact CZ-OE2 3.49Å; R367-E401 IonicContact NE-OE1 3.5Å; R367-E401 IonicContact NE-OE2 3.94Å; R367-E401 PolarHBondContact NE-OE2 3.31Å; R367-E401 VanDerWaalsContact NH2-CD 3.25Å; R367-E401 IonicContact NH2-OE1 3.44Å; R367-E401 PolarHBondContact NH2-OE1 3.49Å; R367-E401 IonicContact NH2-OE2 3.75Å; R367-E401 PolarHBondContact NH2-OE2 2.99Å; Y378-E401 PolarHBondContact OH-OE2 3Å; I379-E401 HydrophobicContact CD1-CB 4.09Å; E401-R403 PolarHBondContact O-N 3.39Å
402D87.3Confident91.6Very high97 Ų9746.4 Ų46.452%0.51930%0.299SS..THydrogen-bonded Turntrans50.731179-61-29.5000114.3I379 A404 L405 V406I379-D402 HydrophobicContact CD1-CB 3.98Å; D402-A404 VanDerWaalsContact C-N 3.28Å; D402-A404 PolarHBondContact O-N 2.6Å; D402-L405 HydrophobicContact CB-CB 4.17Å; D402-L405 HydrophobicContact CB-CD2 4.38Å; D402-L405 WeakPolarHBondContact O-CA 3.45Å; D402-L405 VanDerWaalsContact O-CB 3.31Å; D402-L405 WeakPolarHBondContact O-CB 3.45Å; D402-L405 PolarHBondContact O-N 3.03Å; D402-V406 PolarHBondContact O-N 2.84Å
403R88.9Confident91.6Very high28 Ų2846.1 Ų46.111%0.10630%0.296CS..Hα-helixtrans-53.8-42.8-177.2-165.3-178.3-66.5-84.58.6113.1W397 E401 L405 V406 S407 Q415 T416W397-R403 PolarHBondContact O-NH1 3.01Å; E401-R403 PolarHBondContact O-N 3.39Å; R403-L405 VanDerWaalsContact C-N 3.27Å; R403-L405 PolarHBondContact O-N 3.02Å; R403-V406 PolarHBondContact O-N 3.38Å; R403-S407 VanDerWaalsContact O-CB 3.32Å; R403-S407 WeakPolarHBondContact O-CB 3.48Å; R403-S407 PolarHBondContact O-N 3.13Å; R403-Q415 HydrophobicContact CG-CG 4.47Å; R403-T416 PolarHBondContact NH1-O 2.82Å; R403-T416 VanDerWaalsContact NH1-O 3.12Å; R403-T416 PolarHBondContact NH2-O 2.92Å
404A89.1Confident91.6Very high91 Ų9146.1 Ų46.175%0.75229%0.29SS*.Hα-helixtrans-61.7-35.9177.500000112.4D402 G408D402-A404 VanDerWaalsContact C-N 3.28Å; D402-A404 PolarHBondContact O-N 2.6Å; A404-G408 PolarHBondContact O-N 3.27Å; A404-G408 VanDerWaalsContact O-N 3.09Å
405L88.3Confident91.5Very high98 Ų9845 Ų4551%0.51329%0.285SS..Hα-helixtrans-69.9-48.2175.1177.567.8000110.7D402 R403 S407 G408 L409D402-L405 HydrophobicContact CB-CB 4.17Å; D402-L405 HydrophobicContact CB-CD2 4.38Å; D402-L405 WeakPolarHBondContact O-CA 3.45Å; D402-L405 VanDerWaalsContact O-CB 3.31Å; D402-L405 WeakPolarHBondContact O-CB 3.45Å; D402-L405 PolarHBondContact O-N 3.03Å; R403-L405 VanDerWaalsContact C-N 3.27Å; R403-L405 PolarHBondContact O-N 3.02Å; L405-S407 PolarHBondContact O-N 3.23Å; L405-G408 PolarHBondContact O-N 2.92Å; L405-L409 HydrophobicContact CD1-CD1 4.06Å; L405-L409 HydrophobicContact CD1-CG 4.29Å; L405-L409 HydrophobicContact CG-CD1 3.97Å; L405-L409 WeakPolarHBondContact O-CG 3.44Å; L405-L409 PolarHBondContact O-N 3.44Å
406V91.6Very high91.4Very high1 Ų145.1 Ų45.11%0.00629%0.286CS..Hα-helixtrans-60.1-46.6179.6175.70000110.7I379 W397 D402 R403 G408 L409 D410 L413I379-V406 HydrophobicContact CG2-CG2 3.67Å; W397-V406 HydrophobicContact CD2-CG1 4.01Å; W397-V406 HydrophobicContact CG-CG1 4.2Å; W397-V406 HydrophobicContact CZ2-CG1 4.38Å; W397-V406 HydrophobicContact CZ2-CG2 3.98Å; D402-V406 PolarHBondContact O-N 2.84Å; R403-V406 PolarHBondContact O-N 3.38Å; V406-G408 VanDerWaalsContact C-N 3.3Å; V406-G408 PolarHBondContact O-N 3.48Å; V406-L409 PolarHBondContact O-N 3.17Å; V406-D410 PolarHBondContact O-N 2.93Å; V406-L413 HydrophobicContact CG1-CD1 3.55Å
407S90.1Very high91.3Very high54 Ų5445.8 Ų45.838%0.37829%0.291SS..Hα-helixtrans-63.2-35177.1178.70000112.6R403 L405 P411R403-S407 VanDerWaalsContact O-CB 3.32Å; R403-S407 WeakPolarHBondContact O-CB 3.48Å; R403-S407 PolarHBondContact O-N 3.13Å; L405-S407 PolarHBondContact O-N 3.23Å; S407-P411 WeakPolarHBondContact O-CA 3.15Å
408G89.8Confident91.1Very high64 Ų6447.3 Ų47.366%0.6631%0.307SS*.Hα-helixtrans-70.4-33.8174.500000113.8A404 L405 V406A404-G408 PolarHBondContact O-N 3.27Å; A404-G408 VanDerWaalsContact O-N 3.09Å; L405-G408 PolarHBondContact O-N 2.92Å; V406-G408 VanDerWaalsContact C-N 3.3Å; V406-G408 PolarHBondContact O-N 3.48Å
409L90.9Very high90.9Very high92 Ų9253 Ų5348%0.48234%0.336SS..Hα-helixtrans-81.6-37.1179.2-70.3174.2000112.8L383 L405 V406L383-L409 HydrophobicContact CD2-CB 3.84Å; L383-L409 HydrophobicContact CD2-CD1 3.81Å; L383-L409 HydrophobicContact CD2-CG 4.49Å; L405-L409 HydrophobicContact CD1-CD1 4.06Å; L405-L409 HydrophobicContact CD1-CG 4.29Å; L405-L409 HydrophobicContact CG-CD1 3.97Å; L405-L409 WeakPolarHBondContact O-CG 3.44Å; L405-L409 PolarHBondContact O-N 3.44Å; V406-L409 PolarHBondContact O-N 3.17Å
410D92.3Very high90.8Very high12 Ų1257.4 Ų57.46%0.06435%0.354CS..  trans-14387.7-178.9-162.5-28.1000111L383 Q387 S392 V406 A412 L413L383-D410 HydrophobicContact CD1-CB 4.19Å; Q387-D410 WeakPolarHBondContact CG-OD2 3.41Å; Q387-D410 PolarHBondContact NE2-OD2 2.78Å; Q387-D410 VanDerWaalsContact NE2-OD2 3.1Å; S392-D410 WeakPolarHBondContact CB-OD1 3.42Å; S392-D410 VanDerWaalsContact CB-OD2 3.26Å; S392-D410 WeakPolarHBondContact CB-OD2 3.22Å; S392-D410 PolarHBondContact OG-OD2 2.95Å; V406-D410 PolarHBondContact O-N 2.93Å; D410-A412 PolarHBondContact O-N 2.84Å; D410-A412 WeakPolarHBondContact OD1-CB 3.43Å; D410-A412 PolarHBondContact OD1-N 3.16Å; D410-L413 HydrophobicContact CB-CD1 3.91Å; D410-L413 HydrophobicContact CB-CG 4.01Å; D410-L413 PolarHBondContact O-N 3.02Å
411P91.2Very high90.9Very high108 Ų10854.7 Ų54.770%0.70134%0.336SS*.THydrogen-bonded Turntrans-71.8-10-178.729.2-35.6000113.2S407S407-P411 WeakPolarHBondContact O-CA 3.15Å
412A93.6Very high91.2Very high47 Ų4753.9 Ų53.939%0.38834%0.338SS..THydrogen-bonded Turntrans-80.4-19.6178.500000112.4S393 D410 Q414S393-A412 VanDerWaalsContact CA-O 3.3Å; S393-A412 WeakPolarHBondContact CA-O 2.96Å; D410-A412 PolarHBondContact O-N 2.84Å; D410-A412 WeakPolarHBondContact OD1-CB 3.43Å; D410-A412 PolarHBondContact OD1-N 3.16Å; A412-Q414 PolarHBondContact O-N 3.48Å
413L94.2Very high91.5Very high7 Ų752 Ų524%0.03733%0.328CS..SBendtrans-62128174.4-70.3176000111.4L383 V386 V395 W397 V406 D410 Q415L383-L413 HydrophobicContact CD1-CD1 3.6Å; V386-L413 HydrophobicContact CG1-CD2 4.14Å; V395-L413 HydrophobicContact CB-CD2 3.61Å; V395-L413 HydrophobicContact CG1-CD2 3.81Å; V395-L413 HydrophobicContact CG2-CD2 4.4Å; W397-L413 HydrophobicContact CB-CB 4.37Å; W397-L413 HydrophobicContact CD2-CD1 4.29Å; W397-L413 HydrophobicContact CE3-CD1 3.95Å; V406-L413 HydrophobicContact CG1-CD1 3.55Å; D410-L413 HydrophobicContact CB-CD1 3.91Å; D410-L413 HydrophobicContact CB-CG 4.01Å; D410-L413 PolarHBondContact O-N 3.02Å; L413-Q415 PolarHBondContact O-N 3.12Å
414Q94.8Very high91.7Very high50 Ų5057.4 Ų57.423%0.23435%0.354CS..EExtended strand (participates in β ladder)trans-76.3109.7176.8-65-172.468.400109.5S393 V395 L396 W397 A412 T416S393-Q414 PolarHBondContact O-NE2 3.13Å; V395-Q414 PolarHBondContact O-N 2.88Å; L396-Q414 CarbonylContact C-O 3.58Å; L396-Q414 WeakPolarHBondContact CA-O 3.37Å; L396-Q414 HydrophobicContact CD2-CB 3.76Å; L396-Q414 HydrophobicContact CD2-CG 4.34Å; W397-Q414 PolarHBondContact N-O 3.37Å; A412-Q414 PolarHBondContact O-N 3.48Å; Q414-T416 PolarHBondContact O-N 3.1Å; Q414-T416 PolarHBondContact O-OG1 3.09Å
415Q94.6Very high91.9Very high10 Ų1058 Ų585%0.04734%0.342CS..EExtended strand (participates in β ladder)trans-71.5122.9-179-61.8-58.4-41.800110.7R403 L413 I431 S432 W433R403-Q415 HydrophobicContact CG-CG 4.47Å; L413-Q415 PolarHBondContact O-N 3.12Å; Q415-I431 HydrophobicContact CB-CD1 3.9Å; Q415-I431 WeakPolarHBondContact O-CA 3.22Å; Q415-S432 PolarHBondContact O-N 3.3Å; Q415-S432 PolarHBondContact O-OG 2.77Å; Q415-W433 PolarHBondContact O-N 3.17Å
416T94.7Very high92.1Very high2 Ų253.5 Ų53.51%0.01232%0.318CS..EExtended strand (participates in β ladder)trans-118.6141-177.2-550000110.4W397 L398 R403 Q414 W433 N435W397-T416 PolarHBondContact O-N 3.29Å; L398-T416 HydrophobicContact CD1-CG2 3.76Å; R403-T416 PolarHBondContact NH1-O 2.82Å; R403-T416 VanDerWaalsContact NH1-O 3.12Å; R403-T416 PolarHBondContact NH2-O 2.92Å; Q414-T416 PolarHBondContact O-N 3.1Å; Q414-T416 PolarHBondContact O-OG1 3.09Å; T416-W433 CarbonylContact C-O 3.53Å; T416-W433 VanDerWaalsContact CA-O 3.26Å; T416-W433 WeakPolarHBondContact CA-O 3.35Å; T416-W433 HydrophobicContact CG2-CB 3.77Å; T416-W433 WeakPolarHBondContact OG1-CB 3.27Å; T416-N435 HydrophobicContact CG2-CB 3.93Å
417S94.1Very high92.1Very high17 Ų1757.3 Ų57.312%0.11934%0.342CS..EExtended strand (participates in β ladder)trans-110.5133.3173.4177.90000111.7L419 W433 L434 N435S417-L419 PolarHBondContact OG-N 3.27Å; S417-L419 PolarHBondContact OG-O 2.95Å; S417-W433 PolarHBondContact N-O 2.92Å; S417-L434 CarbonylContact O-C 3.57Å; S417-L434 WeakPolarHBondContact O-CA 3.46Å; S417-N435 PolarHBondContact O-N 2.86Å
418G91Very high92.1Very high32 Ų3260.4 Ų60.433%0.3335%0.354SS..SBendtrans-79.5-4.8169.500000114.1N435G418-N435 VanDerWaalsContact CA-O 3.3Å; G418-N435 WeakPolarHBondContact CA-O 3.27Å
419L88.9Confident92.1Very high131 Ų13162.3 Ų62.369%0.68635%0.349SS*.SBendtrans-118.7140.3-174.5-62.9177000111.1S417 A421S417-L419 PolarHBondContact OG-N 3.27Å; S417-L419 PolarHBondContact OG-O 2.95Å; L419-A421 PolarHBondContact O-N 3.18Å
420K88.1Confident92.1Very high109 Ų10960.3 Ų60.347%0.47435%0.35SS..  trans-71.8125.4171178.3176.6167.31770109.6L436 Q445K420-L436 HydrophobicContact CB-CD2 4.27Å; K420-Q445 VanDerWaalsContact CE-CD 3.5Å
421A89.8Confident92.2Very high27 Ų2760.1 Ų60.122%0.22335%0.349CS..  trans-139.1172.4179.200000110.9L419 E425 L426 Y449L419-A421 PolarHBondContact O-N 3.18Å; A421-E425 HydrophobicContact CB-CB 4.23Å; A421-L426 HydrophobicContact CB-CD2 3.85Å; A421-L426 HydrophobicContact CB-CG 4Å; A421-Y449 PolarHBondContact O-OH 3.47Å
422S92.8Very high92.3Very high54 Ų5456.8 Ų56.838%0.37833%0.328SS..  trans-69.4156.3175.368.50000111.3Q424 E425 L426S422-Q424 PolarHBondContact O-N 3.33Å; S422-E425 WeakPolarHBondContact CB-OE2 3.33Å; S422-E425 PolarHBondContact N-OE2 3.01Å; S422-E425 PolarHBondContact O-N 3.38Å; S422-E425 VanDerWaalsContact OG-CG 3.24Å; S422-E425 WeakPolarHBondContact OG-CG 3.25Å; S422-E425 PolarHBondContact OG-N 3.27Å; S422-E425 PolarHBondContact OG-OE2 2.92Å; S422-L426 VanDerWaalsContact O-CG 3.31Å; S422-L426 WeakPolarHBondContact O-CG 3.3Å; S422-L426 PolarHBondContact O-N 3.4Å
423I93.2Very high92.4Very high59 Ų5956.1 Ų56.130%0.30332%0.316SS..Hα-helixtrans-56.8-38.5177.1-68.3172.6000111.2L426 T427 K448 Y449 V452I423-L426 PolarHBondContact O-N 3.27Å; I423-T427 WeakPolarHBondContact O-CB 3.29Å; I423-T427 PolarHBondContact O-N 3.01Å; I423-T427 PolarHBondContact O-OG1 3.44Å; I423-K448 HydrophobicContact CD1-CB 4.25Å; I423-Y449 HydrophobicContact CG1-CD1 4.11Å; I423-Y449 HydrophobicContact CG1-CE1 4.27Å; I423-V452 HydrophobicContact CD1-CG2 4.49Å; I423-V452 HydrophobicContact CG1-CG2 4.45Å; I423-V452 HydrophobicContact CG2-CB 4.43Å; I423-V452 HydrophobicContact CG2-CG1 4.07Å; I423-V452 HydrophobicContact CG2-CG2 3.86Å
424Q93.3Very high92.5Very high140 Ų14055.8 Ų55.865%0.65431%0.314SS*.Hα-helixtrans-62.5-52.8179.4-176.4173.5-100110.9S422 L426 T427 D428S422-Q424 PolarHBondContact O-N 3.33Å; Q424-L426 VanDerWaalsContact C-N 3.34Å; Q424-L426 PolarHBondContact O-N 3.01Å; Q424-T427 PolarHBondContact O-N 2.78Å; Q424-D428 WeakPolarHBondContact O-CB 3.19Å; Q424-D428 PolarHBondContact O-N 3.41Å
425E92.3Very high92.6Very high105 Ų10553.7 Ų53.749%0.49130%0.304SS..Hα-helixtrans-57.9-45.2177.8-70.2160.2157.500111.8A421 S422 T427 D428 D429A421-E425 HydrophobicContact CB-CB 4.23Å; S422-E425 WeakPolarHBondContact CB-OE2 3.33Å; S422-E425 PolarHBondContact N-OE2 3.01Å; S422-E425 PolarHBondContact O-N 3.38Å; S422-E425 VanDerWaalsContact OG-CG 3.24Å; S422-E425 WeakPolarHBondContact OG-CG 3.25Å; S422-E425 PolarHBondContact OG-N 3.27Å; S422-E425 PolarHBondContact OG-OE2 2.92Å; E425-T427 VanDerWaalsContact C-N 3.32Å; E425-T427 PolarHBondContact O-N 3.35Å; E425-D428 PolarHBondContact O-N 3.38Å; E425-D429 WeakPolarHBondContact O-CB 3.11Å; E425-D429 PolarHBondContact O-N 2.88Å
426L93.4Very high92.6Very high3 Ų353.8 Ų53.82%0.01631%0.305CS..Hα-helixtrans-63.3-38.4179-65.2174.7000112.5A421 S422 I423 Q424 G430 I431 L434 Y449 I454A421-L426 HydrophobicContact CB-CD2 3.85Å; A421-L426 HydrophobicContact CB-CG 4Å; S422-L426 VanDerWaalsContact O-CG 3.31Å; S422-L426 WeakPolarHBondContact O-CG 3.3Å; S422-L426 PolarHBondContact O-N 3.4Å; I423-L426 PolarHBondContact O-N 3.27Å; Q424-L426 VanDerWaalsContact C-N 3.34Å; Q424-L426 PolarHBondContact O-N 3.01Å; L426-G430 PolarHBondContact O-N 3.34Å; L426-I431 HydrophobicContact CB-CB 4.24Å; L426-I431 HydrophobicContact CD2-CB 4.12Å; L426-I431 HydrophobicContact CD2-CG1 4.13Å; L426-I431 HydrophobicContact CD2-CG2 4.09Å; L426-I431 WeakPolarHBondContact O-CB 3.28Å; L426-I431 PolarHBondContact O-N 2.86Å; L426-L434 HydrophobicContact CD1-CD1 3.9Å; L426-L434 HydrophobicContact CD1-CD2 3.87Å; L426-L434 HydrophobicContact CD1-CG 4.25Å; L426-L434 HydrophobicContact CD2-CD2 3.69Å; L426-L434 HydrophobicContact CG-CD2 4.45Å; L426-Y449 HydrophobicContact CD1-CD1 4.06Å; L426-Y449 HydrophobicContact CD1-CE1 3.75Å; L426-I454 HydrophobicContact CB-CD1 3.75Å; L426-I454 HydrophobicContact CD1-CD1 4Å
427T91.7Very high92.5Very high81 Ų8156.2 Ų56.250%0.49732%0.316SS..Hα-helixtrans-72.6-42179.5-52.80000111.1I423 Q424 E425 D429 G430I423-T427 WeakPolarHBondContact O-CB 3.29Å; I423-T427 PolarHBondContact O-N 3.01Å; I423-T427 PolarHBondContact O-OG1 3.44Å; Q424-T427 PolarHBondContact O-N 2.78Å; E425-T427 VanDerWaalsContact C-N 3.32Å; E425-T427 PolarHBondContact O-N 3.35Å; T427-D429 VanDerWaalsContact C-N 3.25Å; T427-D429 PolarHBondContact O-N 2.87Å; T427-G430 PolarHBondContact O-N 2.95Å
428D90.5Very high92.4Very high118 Ų11855.5 Ų55.563%0.63131%0.311SS*.Hα-helixtrans-62.1-36.1177.9-69.5-14.8000111Q424 E425 G430Q424-D428 WeakPolarHBondContact O-CB 3.19Å; Q424-D428 PolarHBondContact O-N 3.41Å; E425-D428 PolarHBondContact O-N 3.38Å; D428-G430 VanDerWaalsContact C-N 3.3Å; D428-G430 PolarHBondContact O-N 3.46Å
429D88.4Confident92.2Very high105 Ų10554.5 Ų54.556%0.56130%0.299SS*.THydrogen-bonded Turntrans-83.60.6176.4-74-13.2000114E425 T427 I431E425-D429 WeakPolarHBondContact O-CB 3.11Å; E425-D429 PolarHBondContact O-N 2.88Å; T427-D429 VanDerWaalsContact C-N 3.25Å; T427-D429 PolarHBondContact O-N 2.87Å; D429-I431 VanDerWaalsContact C-N 3.29Å; D429-I431 HydrophobicContact CB-CD1 4.28Å; D429-I431 HydrophobicContact CB-CG1 3.85Å; D429-I431 PolarHBondContact O-N 3.24Å
430G90.9Very high92.1Very high49 Ų4950.5 Ų50.551%0.50528%0.28SS..THydrogen-bonded Turntrans6626.718000000114.3L426 T427 D428L426-G430 PolarHBondContact O-N 3.34Å; T427-G430 PolarHBondContact O-N 2.95Å; D428-G430 VanDerWaalsContact C-N 3.3Å; D428-G430 PolarHBondContact O-N 3.46Å
431I94.3Very high92.1Very high9 Ų945.9 Ų45.95%0.04626%0.261CS..  trans-76.8127-178.7-55.8-58.1000110.3Q415 L426 D429 W433 L434Q415-I431 HydrophobicContact CB-CD1 3.9Å; Q415-I431 WeakPolarHBondContact O-CA 3.22Å; L426-I431 HydrophobicContact CB-CB 4.24Å; L426-I431 HydrophobicContact CD2-CB 4.12Å; L426-I431 HydrophobicContact CD2-CG1 4.13Å; L426-I431 HydrophobicContact CD2-CG2 4.09Å; L426-I431 WeakPolarHBondContact O-CB 3.28Å; L426-I431 PolarHBondContact O-N 2.86Å; D429-I431 VanDerWaalsContact C-N 3.29Å; D429-I431 HydrophobicContact CB-CD1 4.28Å; D429-I431 HydrophobicContact CB-CG1 3.85Å; D429-I431 PolarHBondContact O-N 3.24Å; I431-W433 WeakPolarHBondContact CG2-O 3.38Å; I431-L434 HydrophobicContact CG2-CD2 4.43Å
432S93.9Very high92Very high38 Ų3846.3 Ų46.327%0.26626%0.262SS..  trans-106-18.7175.948.50000112.9Q415 I454 S455Q415-S432 PolarHBondContact O-N 3.3Å; Q415-S432 PolarHBondContact O-OG 2.77Å; S432-I454 WeakPolarHBondContact O-CA 3.36Å; S432-S455 PolarHBondContact O-N 2.89Å
433W95.6Very high91.8Very high32 Ų3245.4 Ų45.412%0.12125%0.252CS..EExtended strand (participates in β ladder)trans-133144.8-177.7-74.582.8000112.9L396 Q415 T416 S417 I431 S455 S477L396-W433 HydrophobicContact CD1-CD2 4.3Å; L396-W433 HydrophobicContact CD1-CE3 4.38Å; L396-W433 HydrophobicContact CD2-CD2 4.18Å; L396-W433 HydrophobicContact CD2-CG 4.05Å; Q415-W433 PolarHBondContact O-N 3.17Å; T416-W433 CarbonylContact C-O 3.53Å; T416-W433 VanDerWaalsContact CA-O 3.26Å; T416-W433 WeakPolarHBondContact CA-O 3.35Å; T416-W433 HydrophobicContact CG2-CB 3.77Å; T416-W433 WeakPolarHBondContact OG1-CB 3.27Å; S417-W433 PolarHBondContact N-O 2.92Å; I431-W433 WeakPolarHBondContact CG2-O 3.38Å; W433-S455 CarbonylContact C-O 3.58Å; W433-S455 WeakPolarHBondContact CA-O 3.43Å; W433-S477 WeakPolarHBondContact CZ3-OG 3.38Å
434L96.3Very high91.7Very high0 Ų048.5 Ų48.50%027%0.265CS..EExtended strand (participates in β ladder)trans-114.6125.2170-68176.7000109.2S417 L426 I431 L436 Y449 I454 S455 N457S417-L434 CarbonylContact O-C 3.57Å; S417-L434 WeakPolarHBondContact O-CA 3.46Å; L426-L434 HydrophobicContact CD1-CD1 3.9Å; L426-L434 HydrophobicContact CD1-CD2 3.87Å; L426-L434 HydrophobicContact CD1-CG 4.25Å; L426-L434 HydrophobicContact CD2-CD2 3.69Å; L426-L434 HydrophobicContact CG-CD2 4.45Å; I431-L434 HydrophobicContact CG2-CD2 4.43Å; L434-L436 HydrophobicContact CB-CD1 4.24Å; L434-L436 HydrophobicContact CB-CG 4.05Å; L434-L436 HydrophobicContact CD1-CD1 4.33Å; L434-Y449 HydrophobicContact CD1-CD1 4.11Å; L434-Y449 HydrophobicContact CD1-CD2 3.49Å; L434-Y449 VanDerWaalsContact CD1-CD2 3.49Å; L434-Y449 HydrophobicContact CD1-CE1 4.08Å; L434-Y449 HydrophobicContact CD1-CE2 3.44Å; L434-Y449 VanDerWaalsContact CD1-CE2 3.44Å; L434-Y449 HydrophobicContact CD1-CG 3.85Å; L434-I454 HydrophobicContact CD1-CG2 4.04Å; L434-I454 HydrophobicContact CG-CG2 3.87Å; L434-S455 PolarHBondContact N-O 3.01Å; L434-N457 PolarHBondContact O-N 2.71Å
435N96.4Very high91.6Very high6 Ų644.5 Ų44.53%0.03225%0.246CC..EExtended strand (participates in β ladder)trans-10597.9170.7-174.140000108.5L398 T416 S417 G418 N457 Y459L398-N435 HydrophobicContact CD1-CB 3.73Å; L398-N435 WeakPolarHBondContact CD2-ND2 3.5Å; T416-N435 HydrophobicContact CG2-CB 3.93Å; S417-N435 PolarHBondContact O-N 2.86Å; G418-N435 VanDerWaalsContact CA-O 3.3Å; G418-N435 WeakPolarHBondContact CA-O 3.27Å; N435-N457 PolarHBondContact OD1-ND2 2.79Å; N435-Y459 WeakPolarHBondContact O-CE1 3.39Å; N435-Y459 WeakPolarHBondContact OD1-CD1 3.37Å
436L94.9Very high91.7Very high13 Ų1339.8 Ų39.87%0.06822%0.224CC..EExtended strand (participates in β ladder)trans-116.8147.2-171.7-57.6177.8000111.9K420 L434 Y438 T456 N457 L458 Y459K420-L436 HydrophobicContact CB-CD2 4.27Å; L434-L436 HydrophobicContact CB-CD1 4.24Å; L434-L436 HydrophobicContact CB-CG 4.05Å; L434-L436 HydrophobicContact CD1-CD1 4.33Å; L436-Y438 PolarHBondContact O-N 3.21Å; L436-T456 HydrophobicContact CD1-CG2 4.38Å; L436-N457 PolarHBondContact N-O 3.44Å; L436-L458 HydrophobicContact CB-CD2 4.24Å; L436-L458 VanDerWaalsContact O-CA 3.29Å; L436-L458 WeakPolarHBondContact O-CA 3.28Å; L436-Y459 WeakPolarHBondContact O-CD1 3.5Å; L436-Y459 PolarHBondContact O-N 2.99Å
437H93Very high91.6Very high53 Ų5342.5 Ų42.525%0.24524%0.243CC..EExtended strand (participates in β ladder)trans-62136.8171.5-168.9-97.8000110.4S439 T440 Y459H437-S439 WeakPolarHBondContact ND1-CB 3.49Å; H437-S439 PolarHBondContact ND1-N 3.36Å; H437-S439 PolarHBondContact ND1-OG 3.33Å; H437-S439 PolarHBondContact O-N 3.46Å; H437-T440 WeakPolarHBondContact O-CB 3.3Å; H437-T440 PolarHBondContact O-N 3.45Å; H437-T440 PolarHBondContact O-OG1 2.95Å; H437-Y459 CarbonylContact C-O 3.44Å; H437-Y459 WeakPolarHBondContact CA-O 3.35Å; H437-Y459 PolarHBondContact CD2-O 2.88Å
438Y91.6Very high91.7Very high1 Ų144.6 Ų44.60%0.00425%0.245CC..G310 helixtrans-56.9-29.7-17472.5-97.9000113.3N72 D73 E154 T157 L436 T440 M441 Y459 I461 L466N72-Y438 WeakPolarHBondContact ND2-CE1 3.45Å; D73-Y438 PolarHBondContact OD1-OH 2.81Å; D73-Y438 PolarHBondContact OD2-OH 3.05Å; E154-Y438 PolarHBondContact OE2-OH 2.52Å; E154-Y438 VanDerWaalsContact OE2-OH 3.1Å; T157-Y438 HydrophobicContact CG2-CE2 3.88Å; T157-Y438 WeakPolarHBondContact OG1-CE2 3.33Å; T157-Y438 PolarHBondContact OG1-OH 2.64Å; T157-Y438 VanDerWaalsContact OG1-OH 3.12Å; L436-Y438 PolarHBondContact O-N 3.21Å; Y438-T440 PolarHBondContact O-N 2.92Å; Y438-M441 WeakPolarHBondContact O-CB 3.23Å; Y438-M441 PolarHBondContact O-N 3.33Å; Y438-Y459 WeakPolarHBondContact CD1-O 3.4Å; Y438-Y459 PolarHBondContact N-O 3.41Å; Y438-I461 HydrophobicContact CG-CG1 4.23Å; Y438-L466 HydrophobicContact CD1-CD2 4.45Å; Y438-L466 HydrophobicContact CD2-CD1 4.12Å; Y438-L466 HydrophobicContact CD2-CD2 3.62Å; Y438-L466 HydrophobicContact CD2-CG 4.42Å; Y438-L466 HydrophobicContact CE2-CD2 3.86Å; Y438-L466 HydrophobicContact CG-CD2 3.95Å
439S86.9Confident92Very high12 Ų1239.7 Ų39.78%0.08422%0.218CC..G310 helixtrans-67-7.1178.273.70000114.4H437H437-S439 WeakPolarHBondContact ND1-CB 3.49Å; H437-S439 PolarHBondContact ND1-N 3.36Å; H437-S439 PolarHBondContact ND1-OG 3.33Å; H437-S439 PolarHBondContact O-N 3.46Å
440T86.3Confident92.2Very high47 Ų4739.3 Ų39.329%0.28821%0.213SC..G310 helixtrans-94.91.1173.868.70000113.8H437 Y438 S442H437-T440 WeakPolarHBondContact O-CB 3.3Å; H437-T440 PolarHBondContact O-N 3.45Å; H437-T440 PolarHBondContact O-OG1 2.95Å; Y438-T440 PolarHBondContact O-N 2.92Å; T440-S442 PolarHBondContact O-N 3.28Å
441M88.3Confident92.3Very high12 Ų1241.3 Ų41.36%0.05922%0.219CC..  trans-55.1131.5-175.4-176.5-178-9.600112.6L160 Y438 I446 L458 L466 L469 A470 A473L160-M441 HydrophobicContact CD1-CE 4.33Å; Y438-M441 WeakPolarHBondContact O-CB 3.23Å; Y438-M441 PolarHBondContact O-N 3.33Å; M441-I446 HydrophobicContact CG-CD1 4.23Å; M441-L458 HydrophobicContact CB-CD1 4.15Å; M441-L458 HydrophobicContact CE-CD1 4.16Å; M441-L458 HydrophobicContact CG-CD1 3.89Å; M441-L458 HydrophobicContact SD-CD1 4.05Å; M441-L466 HydrophobicContact CE-CD1 3.79Å; M441-L469 HydrophobicContact CE-CD2 4.19Å; M441-L469 HydrophobicContact CE-CG 4.34Å; M441-L469 HydrophobicContact SD-CD2 4.37Å; M441-L469 HydrophobicContact SD-CG 4Å; M441-A470 HydrophobicContact SD-CB 4.24Å; M441-A473 HydrophobicContact CG-CB 3.98Å; M441-A473 HydrophobicContact SD-CB 3.83Å
442S88.6Confident92.3Very high36 Ų3643.8 Ų43.825%0.25223%0.234SC..  trans-152.6118.7175177.30000110.1T440 Q444 Q445 I446T440-S442 PolarHBondContact O-N 3.28Å; S442-Q444 VanDerWaalsContact C-N 3.27Å; S442-Q444 PolarHBondContact O-N 3.42Å; S442-Q445 PolarHBondContact O-N 2.88Å; S442-Q445 VanDerWaalsContact O-N 3.09Å; S442-I446 WeakPolarHBondContact O-CG1 3.47Å; S442-I446 PolarHBondContact O-N 3.39Å
443Q89.3Confident92.4Very high34 Ų3448.9 Ų48.916%0.15926%0.258CS..Hα-helixtrans-54.6-43.9178.3-178-174.82.400112.1Y220 P222 Q445 I446 C447 A473Y220-Q443 PolarHBondContact OH-OE1 3.46Å; P222-Q443 HydrophobicContact CB-CB 4.32Å; P222-Q443 HydrophobicContact CG-CB 4.35Å; Q443-Q445 VanDerWaalsContact C-N 3.26Å; Q443-Q445 PolarHBondContact O-N 3.07Å; Q443-I446 PolarHBondContact O-N 2.63Å; Q443-C447 WeakPolarHBondContact O-CB 3.41Å; Q443-C447 PolarHBondContact O-N 3.39Å; Q443-C447 PolarHBondContact O-SG 3.34Å; Q443-A473 HydrophobicContact CB-CB 4.39Å
444Q90Very high92.4Very high125 Ų12547.6 Ų47.658%0.58425%0.254SS*.Hα-helixtrans-61.7-36.4-179.6-68-178.4-5.700112.3S442 K448S442-Q444 VanDerWaalsContact C-N 3.27Å; S442-Q444 PolarHBondContact O-N 3.42Å; Q444-K448 VanDerWaalsContact O-CG 3.25Å; Q444-K448 WeakPolarHBondContact O-CG 3.25Å; Q444-K448 PolarHBondContact O-N 3.45Å
445Q91.5Very high92.4Very high56 Ų5649 Ų4926%0.26226%0.264SS..Hα-helixtrans-78.8-42.5-179.1-60.1-166.2-5900111.7K420 S442 Q443 C447 K448 Y449K420-Q445 VanDerWaalsContact CE-CD 3.5Å; S442-Q445 PolarHBondContact O-N 2.88Å; S442-Q445 VanDerWaalsContact O-N 3.09Å; Q443-Q445 VanDerWaalsContact C-N 3.26Å; Q443-Q445 PolarHBondContact O-N 3.07Å; Q445-C447 VanDerWaalsContact C-N 3.31Å; Q445-C447 PolarHBondContact O-N 3.49Å; Q445-K448 WeakPolarHBondContact O-CB 3.3Å; Q445-K448 PolarHBondContact O-N 2.84Å; Q445-K448 VanDerWaalsContact O-N 3.1Å; Q445-Y449 HydrophobicContact CB-CE2 4.14Å; Q445-Y449 WeakPolarHBondContact O-CD2 3.48Å; Q445-Y449 PolarHBondContact O-N 3.3Å
446I93.5Very high92.4Very high5 Ų548.8 Ų48.83%0.02626%0.263CS..Hα-helixtrans-58.9-45.6175.5-66.2166.9000110.1M441 S442 Q443 K448 Y449 Q450 T456 A473 G474 A475M441-I446 HydrophobicContact CG-CD1 4.23Å; S442-I446 WeakPolarHBondContact O-CG1 3.47Å; S442-I446 PolarHBondContact O-N 3.39Å; Q443-I446 PolarHBondContact O-N 2.63Å; I446-K448 VanDerWaalsContact C-N 3.3Å; I446-K448 PolarHBondContact O-N 2.8Å; I446-Y449 PolarHBondContact O-N 3.17Å; I446-Q450 WeakPolarHBondContact O-CB 3.21Å; I446-Q450 PolarHBondContact O-N 3.37Å; I446-T456 HydrophobicContact CG1-CG2 4.28Å; I446-A473 HydrophobicContact CD1-CB 4.05Å; I446-G474 WeakPolarHBondContact CG2-O 3.34Å; I446-A475 HydrophobicContact CD1-CB 4.46Å
447C92.3Very high92.6Very high60 Ų6048.2 Ų48.241%0.40526%0.26SS..Hα-helixtrans-61-38.5175.8-67.20000112.4Q443 Q445 S451Q443-C447 WeakPolarHBondContact O-CB 3.41Å; Q443-C447 PolarHBondContact O-N 3.39Å; Q443-C447 PolarHBondContact O-SG 3.34Å; Q445-C447 VanDerWaalsContact C-N 3.31Å; Q445-C447 PolarHBondContact O-N 3.49Å; C447-S451 PolarHBondContact O-N 3.26Å
448K94Very high92.7Very high125 Ų12545.8 Ų45.854%0.54325%0.248SC..Hα-helixtrans-65.4-45.6176.6-80.4175.3-177.5-177.10112I423 Q444 Q445 I446 S451I423-K448 HydrophobicContact CD1-CB 4.25Å; Q444-K448 VanDerWaalsContact O-CG 3.25Å; Q444-K448 WeakPolarHBondContact O-CG 3.25Å; Q444-K448 PolarHBondContact O-N 3.45Å; Q445-K448 WeakPolarHBondContact O-CB 3.3Å; Q445-K448 PolarHBondContact O-N 2.84Å; Q445-K448 VanDerWaalsContact O-N 3.1Å; I446-K448 VanDerWaalsContact C-N 3.3Å; I446-K448 PolarHBondContact O-N 2.8Å; K448-S451 PolarHBondContact O-N 3.27Å; K448-S451 PolarHBondContact O-OG 2.64Å
449Y95.2Very high92.9Very high15 Ų1549.2 Ų49.26%0.05926%0.262CS..Hα-helixtrans-63.5-43.1175.8-63.1-43.1000111.7A421 I423 L426 L434 Q445 I446 S451 V452 N453 I454A421-Y449 PolarHBondContact O-OH 3.47Å; I423-Y449 HydrophobicContact CG1-CD1 4.11Å; I423-Y449 HydrophobicContact CG1-CE1 4.27Å; L426-Y449 HydrophobicContact CD1-CD1 4.06Å; L426-Y449 HydrophobicContact CD1-CE1 3.75Å; L434-Y449 HydrophobicContact CD1-CD1 4.11Å; L434-Y449 HydrophobicContact CD1-CD2 3.49Å; L434-Y449 VanDerWaalsContact CD1-CD2 3.49Å; L434-Y449 HydrophobicContact CD1-CE1 4.08Å; L434-Y449 HydrophobicContact CD1-CE2 3.44Å; L434-Y449 VanDerWaalsContact CD1-CE2 3.44Å; L434-Y449 HydrophobicContact CD1-CG 3.85Å; Q445-Y449 HydrophobicContact CB-CE2 4.14Å; Q445-Y449 WeakPolarHBondContact O-CD2 3.48Å; Q445-Y449 PolarHBondContact O-N 3.3Å; I446-Y449 PolarHBondContact O-N 3.17Å; Y449-S451 PolarHBondContact O-N 3.36Å; Y449-V452 CarbonylContact O-C 3.24Å; Y449-V452 WeakPolarHBondContact O-CG2 3.23Å; Y449-V452 PolarHBondContact O-N 3.31Å; Y449-V452 VanDerWaalsContact O-N 3.09Å; Y449-N453 PolarHBondContact O-N 3.46Å; Y449-I454 CarbonylContact C-O 3.01Å; Y449-I454 VanDerWaalsContact C-O 3.31Å; Y449-I454 PolarHBondContact O-N 3.15Å
450Q93.1Very high93.2Very high98 Ų9849.7 Ų49.746%0.45826%0.264SS..Hα-helixtrans-62-32.6177.6-170.5175.49.500112.5I446 V452 N453 I454 Q476I446-Q450 WeakPolarHBondContact O-CB 3.21Å; I446-Q450 PolarHBondContact O-N 3.37Å; Q450-V452 PolarHBondContact O-N 2.86Å; Q450-V452 VanDerWaalsContact O-N 3.12Å; Q450-N453 PolarHBondContact O-N 3.37Å; Q450-I454 PolarHBondContact N-O 3.35Å; Q450-Q476 VanDerWaalsContact CD-NE2 3.32Å
451S93.8Very high93.7Very high90 Ų9047.4 Ų47.463%0.62925%0.25SS*.THydrogen-bonded Turntrans-62.9-17.5177.676.70000114.4C447 K448 Y449C447-S451 PolarHBondContact O-N 3.26Å; K448-S451 PolarHBondContact O-N 3.27Å; K448-S451 PolarHBondContact O-OG 2.64Å; Y449-S451 PolarHBondContact O-N 3.36Å
452V94.6Very high94Very high62 Ų6247.5 Ų47.538%0.37625%0.252SS..THydrogen-bonded Turntrans-116.923.3175.9-650000112I423 Y449 Q450 I454I423-V452 HydrophobicContact CD1-CG2 4.49Å; I423-V452 HydrophobicContact CG1-CG2 4.45Å; I423-V452 HydrophobicContact CG2-CB 4.43Å; I423-V452 HydrophobicContact CG2-CG1 4.07Å; I423-V452 HydrophobicContact CG2-CG2 3.86Å; Y449-V452 CarbonylContact O-C 3.24Å; Y449-V452 WeakPolarHBondContact O-CG2 3.23Å; Y449-V452 PolarHBondContact O-N 3.31Å; Y449-V452 VanDerWaalsContact O-N 3.09Å; Q450-V452 PolarHBondContact O-N 2.86Å; Q450-V452 VanDerWaalsContact O-N 3.12Å; V452-I454 VanDerWaalsContact C-N 3.26Å; V452-I454 HydrophobicContact CG2-CB 4.47Å; V452-I454 HydrophobicContact CG2-CD1 3.79Å; V452-I454 HydrophobicContact CG2-CG1 3.99Å; V452-I454 PolarHBondContact O-N 2.71Å
453N95.1Very high94.2Very high144 Ų14447.9 Ų47.977%0.7725%0.25SS*.THydrogen-bonded Turntrans60.126.2179.8-61.8-26.2000115.3Y449 Q450Y449-N453 PolarHBondContact O-N 3.46Å; Q450-N453 PolarHBondContact O-N 3.37Å
454I96.1Very high94.4Very high5 Ų548 Ų483%0.02625%0.254CS..  trans-91.8119.5170.6-62.4171.7000108.6L426 S432 L434 Y449 Q450 V452L426-I454 HydrophobicContact CB-CD1 3.75Å; L426-I454 HydrophobicContact CD1-CD1 4Å; S432-I454 WeakPolarHBondContact O-CA 3.36Å; L434-I454 HydrophobicContact CD1-CG2 4.04Å; L434-I454 HydrophobicContact CG-CG2 3.87Å; Y449-I454 CarbonylContact C-O 3.01Å; Y449-I454 VanDerWaalsContact C-O 3.31Å; Y449-I454 PolarHBondContact O-N 3.15Å; Q450-I454 PolarHBondContact N-O 3.35Å; V452-I454 VanDerWaalsContact C-N 3.26Å; V452-I454 HydrophobicContact CG2-CB 4.47Å; V452-I454 HydrophobicContact CG2-CD1 3.79Å; V452-I454 HydrophobicContact CG2-CG1 3.99Å; V452-I454 PolarHBondContact O-N 2.71Å
455S96.2Very high94.4Very high30 Ų3043.9 Ų43.921%0.2123%0.233CC..EExtended strand (participates in β ladder)trans-86.8145.8179.3-64.50000111.3S432 W433 L434S432-S455 PolarHBondContact O-N 2.89Å; W433-S455 CarbonylContact C-O 3.58Å; W433-S455 WeakPolarHBondContact CA-O 3.43Å; L434-S455 PolarHBondContact N-O 3.01Å
456T96.9Very high94.5Very high1 Ų141.2 Ų41.21%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-115.6122.7179.4-52.90000110.6L436 I446 L458 Q476 S477L436-T456 HydrophobicContact CD1-CG2 4.38Å; I446-T456 HydrophobicContact CG1-CG2 4.28Å; T456-L458 HydrophobicContact CG2-CD2 4.02Å; T456-L458 HydrophobicContact CG2-CG 4.44Å; T456-Q476 PolarHBondContact O-N 3.04Å; T456-Q476 VanDerWaalsContact O-N 3.12Å; T456-S477 PolarHBondContact O-N 3.07Å
457N97.6Very high94.6Very high2 Ų241.3 Ų41.31%0.01122%0.22CC..EExtended strand (participates in β ladder)trans-100.1135.1166.1-173.958000110.2L434 N435 L436 S477 V478 T479L434-N457 PolarHBondContact O-N 2.71Å; N435-N457 PolarHBondContact OD1-ND2 2.79Å; L436-N457 PolarHBondContact N-O 3.44Å; N457-S477 WeakPolarHBondContact CA-O 3.2Å; N457-S477 WeakPolarHBondContact CA-OG 3.32Å; N457-S477 VanDerWaalsContact CB-OG 3.23Å; N457-S477 WeakPolarHBondContact CB-OG 3.46Å; N457-S477 VanDerWaalsContact CG-OG 3.27Å; N457-S477 VanDerWaalsContact OD1-C 3.25Å; N457-S477 WeakPolarHBondContact OD1-CB 3.26Å; N457-S477 PolarHBondContact OD1-O 2.75Å; N457-S477 PolarHBondContact OD1-OG 3.35Å; N457-V478 WeakPolarHBondContact OD1-CA 3.18Å; N457-V478 PolarHBondContact OD1-N 3.34Å; N457-T479 PolarHBondContact ND2-OG1 2.76Å; N457-T479 PolarHBondContact OD1-N 2.93Å
458L96.8Very high94.6Very high1 Ų138.5 Ų38.51%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-113.1129.6175.6-61.2177.1000111.4L436 M441 T456 I461 A470 A475 S477 V478 T479L436-L458 HydrophobicContact CB-CD2 4.24Å; L436-L458 VanDerWaalsContact O-CA 3.29Å; L436-L458 WeakPolarHBondContact O-CA 3.28Å; M441-L458 HydrophobicContact CB-CD1 4.15Å; M441-L458 HydrophobicContact CE-CD1 4.16Å; M441-L458 HydrophobicContact CG-CD1 3.89Å; M441-L458 HydrophobicContact SD-CD1 4.05Å; T456-L458 HydrophobicContact CG2-CD2 4.02Å; T456-L458 HydrophobicContact CG2-CG 4.44Å; L458-I461 HydrophobicContact CB-CD1 3.67Å; L458-I461 HydrophobicContact CD1-CD1 4.27Å; L458-A470 HydrophobicContact CD1-CB 3.97Å; L458-A475 HydrophobicContact CD1-CB 3.94Å; L458-A475 HydrophobicContact CG-CB 4.3Å; L458-S477 PolarHBondContact N-O 3.41Å; L458-S477 VanDerWaalsContact N-O 3.13Å; L458-V478 HydrophobicContact CB-CG1 4.46Å; L458-V478 CarbonylContact O-C 3.57Å; L458-V478 VanDerWaalsContact O-CA 3.29Å; L458-V478 WeakPolarHBondContact O-CA 3.41Å; L458-T479 PolarHBondContact O-N 3.1Å
459Y94.8Very high94.5Very high73 Ų7332.6 Ų32.629%0.28618%0.176SC..EExtended strand (participates in β ladder)trans-130.2154.4-179.374.8-86.3000112.8N435 L436 H437 Y438N435-Y459 WeakPolarHBondContact O-CE1 3.39Å; N435-Y459 WeakPolarHBondContact OD1-CD1 3.37Å; L436-Y459 WeakPolarHBondContact O-CD1 3.5Å; L436-Y459 PolarHBondContact O-N 2.99Å; H437-Y459 CarbonylContact C-O 3.44Å; H437-Y459 WeakPolarHBondContact CA-O 3.35Å; H437-Y459 PolarHBondContact CD2-O 2.88Å; Y438-Y459 WeakPolarHBondContact CD1-O 3.4Å; Y438-Y459 PolarHBondContact N-O 3.41Å
460V94.5Very high94.5Very high22 Ų2231.9 Ų31.913%0.13317%0.173CC..  cis-94.9122.6-23.1-174.10000107.4N72 H239 T479N72-V460 PolarHBondContact ND2-O 3.46Å; N72-V460 PolarHBondContact OD1-O 3.38Å; H239-V460 HydrophobicContact CB-CG1 4.11Å; V460-T479 CarbonylContact C-O 3.56Å; V460-T479 WeakPolarHBondContact CA-O 3.31Å
461I95.3Very high94.5Very high0 Ų028.2 Ų28.20%016%0.155CC..  trans-107.8110.2-179.2-64.3177.5000108.5Y438 L458 L466 A470 V478 T479 T480 L486Y438-I461 HydrophobicContact CG-CG1 4.23Å; L458-I461 HydrophobicContact CB-CD1 3.67Å; L458-I461 HydrophobicContact CD1-CD1 4.27Å; I461-L466 HydrophobicContact CB-CD2 4.38Å; I461-L466 HydrophobicContact CD1-CG 4.24Å; I461-L466 HydrophobicContact CG1-CD2 3.93Å; I461-L466 HydrophobicContact CG1-CG 4.07Å; I461-L466 HydrophobicContact CG2-CB 3.97Å; I461-L466 HydrophobicContact CG2-CD2 4.06Å; I461-L466 HydrophobicContact CG2-CG 3.83Å; I461-A470 HydrophobicContact CD1-CB 3.94Å; I461-V478 HydrophobicContact CB-CB 4.41Å; I461-V478 HydrophobicContact CD1-CB 4.33Å; I461-V478 HydrophobicContact CD1-CG1 3.84Å; I461-T479 PolarHBondContact N-O 2.94Å; I461-T480 WeakPolarHBondContact O-CA 3.43Å; I461-T480 WeakPolarHBondContact O-CB 3.32Å; I461-T480 PolarHBondContact O-OG1 2.96Å; I461-L486 WeakPolarHBondContact O-CD1 3.21Å
462S94.9Very high94.5Very high14 Ų1423.9 Ų23.910%0.09813%0.125CC..  trans-115.3-13.1179.9-52.70000113.3N72 N481 S482N72-S462 PolarHBondContact OD1-N 2.91Å; S462-N481 WeakPolarHBondContact OG-CB 3.37Å; S462-N481 PolarHBondContact OG-N 3.19Å; S462-N481 PolarHBondContact OG-ND2 2.66Å; S462-S482 VanDerWaalsContact CA-OG 3.26Å; S462-S482 WeakPolarHBondContact CA-OG 3.45Å; S462-S482 PolarHBondContact O-OG 2.82Å
463Q93.2Very high94.4Very high44 Ų4421 Ų2121%0.20611%0.107CC..SBendtrans-91.7134.4-179.6-66.8-60.7-2900112.6Q71 N72 W465 L466 Y467Q71-Q463 HydrophobicContact CB-CG 4.4Å; Q71-Q463 PolarHBondContact O-NE2 3.18Å; N72-Q463 HydrophobicContact CB-CG 3.82Å; N72-Q463 PolarHBondContact OD1-N 2.96Å; Q463-W465 VanDerWaalsContact C-N 3.35Å; Q463-W465 PolarHBondContact O-N 2.78Å; Q463-L466 HydrophobicContact CB-CB 4.35Å; Q463-L466 PolarHBondContact O-N 2.82Å; Q463-Y467 PolarHBondContact O-N 2.69Å
464P93.8Very high94.3Very high36 Ų3615 Ų1523%0.2348%0.08CC..Hα-helixtrans-53.7-44.1179-32.138.3000114.5L466 Y467 T468 I485 L486 I489 L493P464-L466 VanDerWaalsContact C-N 3.33Å; P464-L466 PolarHBondContact O-N 2.87Å; P464-Y467 PolarHBondContact O-N 3.31Å; P464-T468 VanDerWaalsContact O-CG2 3.3Å; P464-T468 WeakPolarHBondContact O-CG2 2.96Å; P464-T468 PolarHBondContact O-N 2.81Å; P464-T468 PolarHBondContact O-OG1 3.29Å; P464-I485 HydrophobicContact CG-CG2 4.17Å; P464-L486 HydrophobicContact CG-CD2 4.36Å; P464-I489 HydrophobicContact CB-CD1 3.72Å; P464-I489 HydrophobicContact CG-CD1 4.32Å; P464-L493 HydrophobicContact CB-CD1 3.7Å
465W90.4Very high94.3Very high39 Ų3915 Ų1515%0.1488%0.08CC..Hα-helixtrans-62.7-41-178.869.2-96.9000111.7T157 V165 Q463 T468 L469T157-W465 HydrophobicContact CG2-CH2 4.16Å; T157-W465 HydrophobicContact CG2-CZ2 4.49Å; V165-W465 HydrophobicContact CG2-CE3 4.28Å; Q463-W465 VanDerWaalsContact C-N 3.35Å; Q463-W465 PolarHBondContact O-N 2.78Å; W465-T468 PolarHBondContact O-N 2.67Å; W465-T468 PolarHBondContact O-OG1 3.48Å; W465-L469 HydrophobicContact CZ3-CD2 4.46Å; W465-L469 PolarHBondContact O-N 3.23Å
466L92.3Very high94.3Very high0 Ų015.5 Ų15.50%08%0.079CC..Hα-helixtrans-71.8-36.7-179-17561.4000111.5N72 Y438 M441 I461 Q463 P464 L469 A470N72-L466 HydrophobicContact CB-CD2 4.42Å; Y438-L466 HydrophobicContact CD1-CD2 4.45Å; Y438-L466 HydrophobicContact CD2-CD1 4.12Å; Y438-L466 HydrophobicContact CD2-CD2 3.62Å; Y438-L466 HydrophobicContact CD2-CG 4.42Å; Y438-L466 HydrophobicContact CE2-CD2 3.86Å; Y438-L466 HydrophobicContact CG-CD2 3.95Å; M441-L466 HydrophobicContact CE-CD1 3.79Å; I461-L466 HydrophobicContact CB-CD2 4.38Å; I461-L466 HydrophobicContact CD1-CG 4.24Å; I461-L466 HydrophobicContact CG1-CD2 3.93Å; I461-L466 HydrophobicContact CG1-CG 4.07Å; I461-L466 HydrophobicContact CG2-CB 3.97Å; I461-L466 HydrophobicContact CG2-CD2 4.06Å; I461-L466 HydrophobicContact CG2-CG 3.83Å; Q463-L466 HydrophobicContact CB-CB 4.35Å; Q463-L466 PolarHBondContact O-N 2.82Å; P464-L466 VanDerWaalsContact C-N 3.33Å; P464-L466 PolarHBondContact O-N 2.87Å; L466-L469 HydrophobicContact CD1-CD2 4.39Å; L466-L469 PolarHBondContact O-N 3.29Å; L466-A470 PolarHBondContact O-N 2.84Å
467Y94.9Very high94.3Very high6 Ų615.5 Ų15.52%0.0248%0.079CC..Hα-helixtrans-59.7-46.4170.8172.2-112.4000111.6P234 L236 Q463 P464 L469 A470 W471 V478 L486 I489P234-Y467 HydrophobicContact CB-CE2 4.06Å; P234-Y467 HydrophobicContact CG-CE2 4.03Å; P234-Y467 PolarHBondContact O-OH 3.22Å; L236-Y467 HydrophobicContact CD2-CD2 4.2Å; L236-Y467 HydrophobicContact CD2-CE2 3.59Å; Q463-Y467 PolarHBondContact O-N 2.69Å; P464-Y467 PolarHBondContact O-N 3.31Å; Y467-L469 VanDerWaalsContact C-N 3.28Å; Y467-L469 PolarHBondContact O-N 2.91Å; Y467-A470 WeakPolarHBondContact O-CB 3.31Å; Y467-A470 PolarHBondContact O-N 3.29Å; Y467-W471 HydrophobicContact CE1-CE3 4.33Å; Y467-W471 PolarHBondContact O-N 2.95Å; Y467-V478 HydrophobicContact CD2-CG1 4.33Å; Y467-V478 HydrophobicContact CD2-CG2 3.7Å; Y467-V478 HydrophobicContact CE2-CG2 3.86Å; Y467-L486 HydrophobicContact CD1-CB 4.44Å; Y467-L486 HydrophobicContact CD1-CD2 4.37Å; Y467-L486 HydrophobicContact CD2-CD1 4.14Å; Y467-L486 HydrophobicContact CG-CB 4.42Å; Y467-L486 HydrophobicContact CG-CD1 4.1Å; Y467-L486 HydrophobicContact CG-CD2 4.17Å; Y467-L486 HydrophobicContact CG-CG 4.46Å; Y467-I489 HydrophobicContact CD1-CB 4.26Å; Y467-I489 HydrophobicContact CD1-CD1 3.91Å; Y467-I489 HydrophobicContact CD1-CG2 4.22Å; Y467-I489 HydrophobicContact CE1-CB 4.01Å; Y467-I489 HydrophobicContact CE1-CD1 4.47Å; Y467-I489 HydrophobicContact CE1-CG2 4.11Å
468T93.2Very high94.3Very high2 Ų215.4 Ų15.41%0.0128%0.079CC..Hα-helixtrans-67.9-31.9179.860.30000112.4P464 W465 W471 C472 I489 P492 L493P464-T468 VanDerWaalsContact O-CG2 3.3Å; P464-T468 WeakPolarHBondContact O-CG2 2.96Å; P464-T468 PolarHBondContact O-N 2.81Å; P464-T468 PolarHBondContact O-OG1 3.29Å; W465-T468 PolarHBondContact O-N 2.67Å; W465-T468 PolarHBondContact O-OG1 3.48Å; T468-W471 WeakPolarHBondContact O-CB 3.31Å; T468-W471 PolarHBondContact O-N 2.95Å; T468-C472 PolarHBondContact O-N 3.46Å; T468-C472 PolarHBondContact O-SG 3.41Å; T468-I489 HydrophobicContact CG2-CG2 3.91Å; T468-P492 HydrophobicContact CG2-CB 4.38Å; T468-L493 HydrophobicContact CG2-CB 4.29Å; T468-L493 HydrophobicContact CG2-CD1 4.47Å; T468-L493 HydrophobicContact CG2-CG 4.01Å
469L92.2Very high94.4Very high0 Ų015.4 Ų15.40%08%0.079CC..Hα-helixtrans-65.2-43.9171-177.561.7000111.9L160 Q164 V165 P222 M441 W465 L466 Y467 W471 C472 A473L160-L469 HydrophobicContact CB-CD2 4.22Å; Q164-L469 HydrophobicContact CB-CD1 3.67Å; Q164-L469 HydrophobicContact CB-CD2 4.21Å; V165-L469 HydrophobicContact CG2-CB 4.11Å; V165-L469 HydrophobicContact CG2-CD1 3.93Å; V165-L469 HydrophobicContact CG2-CD2 4.06Å; V165-L469 HydrophobicContact CG2-CG 4.25Å; P222-L469 HydrophobicContact CB-CD1 4.48Å; P222-L469 HydrophobicContact CG-CD1 4.1Å; M441-L469 HydrophobicContact CE-CD2 4.19Å; M441-L469 HydrophobicContact CE-CG 4.34Å; M441-L469 HydrophobicContact SD-CD2 4.37Å; M441-L469 HydrophobicContact SD-CG 4Å; W465-L469 HydrophobicContact CZ3-CD2 4.46Å; W465-L469 PolarHBondContact O-N 3.23Å; L466-L469 HydrophobicContact CD1-CD2 4.39Å; L466-L469 PolarHBondContact O-N 3.29Å; Y467-L469 VanDerWaalsContact C-N 3.28Å; Y467-L469 PolarHBondContact O-N 2.91Å; L469-W471 VanDerWaalsContact C-N 3.3Å; L469-W471 PolarHBondContact O-N 3.32Å; L469-C472 WeakPolarHBondContact O-CB 3.42Å; L469-C472 PolarHBondContact O-N 2.64Å; L469-A473 WeakPolarHBondContact O-CB 3.34Å; L469-A473 PolarHBondContact O-N 3.29Å
470A94.2Very high94.6Very high0 Ų012 Ų120%07%0.065CC..Hα-helixtrans-60.7-39.817500000112M441 L458 I461 L466 Y467 A473 G474 A475 V478M441-A470 HydrophobicContact SD-CB 4.24Å; L458-A470 HydrophobicContact CD1-CB 3.97Å; I461-A470 HydrophobicContact CD1-CB 3.94Å; L466-A470 PolarHBondContact O-N 2.84Å; Y467-A470 WeakPolarHBondContact O-CB 3.31Å; Y467-A470 PolarHBondContact O-N 3.29Å; A470-A473 PolarHBondContact O-N 3.01Å; A470-G474 PolarHBondContact O-N 3.37Å; A470-G474 VanDerWaalsContact O-N 3.11Å; A470-A475 HydrophobicContact CB-CB 4.21Å; A470-A475 WeakPolarHBondContact O-CB 3.47Å; A470-A475 PolarHBondContact O-N 3.32Å; A470-V478 HydrophobicContact CB-CG1 4Å
471W94.7Very high94.7Very high21 Ų2111.5 Ų11.58%0.086%0.062CC..Hα-helixtrans-60.7-50.5172.7-173.10.8000111.5L230 G231 P232 A233 P234 Y467 T468 L469 A473 G474 N490 P492L230-W471 HydrophobicContact CD1-CG 4.33Å; L230-W471 HydrophobicContact CD2-CD2 4.47Å; L230-W471 HydrophobicContact CD2-CZ2 3.92Å; G231-W471 PolarHBondContact O-NE1 3.08Å; P232-W471 PolarHBondContact O-NE1 3.06Å; P232-W471 VanDerWaalsContact O-NE1 3.14Å; A233-W471 HydrophobicContact CB-CD2 4.25Å; A233-W471 HydrophobicContact CB-CE3 4.34Å; A233-W471 HydrophobicContact CB-CH2 3.83Å; A233-W471 HydrophobicContact CB-CZ2 3.75Å; A233-W471 HydrophobicContact CB-CZ3 4.13Å; P234-W471 HydrophobicContact CG-CB 3.84Å; P234-W471 HydrophobicContact CG-CG 4.28Å; Y467-W471 HydrophobicContact CE1-CE3 4.33Å; Y467-W471 PolarHBondContact O-N 2.95Å; T468-W471 WeakPolarHBondContact O-CB 3.31Å; T468-W471 PolarHBondContact O-N 2.95Å; L469-W471 VanDerWaalsContact C-N 3.3Å; L469-W471 PolarHBondContact O-N 3.32Å; W471-A473 VanDerWaalsContact C-N 3.27Å; W471-A473 PolarHBondContact O-N 2.92Å; W471-G474 PolarHBondContact O-N 2.97Å; W471-N490 WeakPolarHBondContact CH2-O 3.43Å; W471-P492 HydrophobicContact CD2-CG 3.94Å; W471-P492 HydrophobicContact CE3-CG 3.86Å; W471-P492 HydrophobicContact CG-CG 4.42Å; W471-P492 HydrophobicContact CZ3-CG 4.3Å
472C92.6Very high94.7Very high0 Ų011.5 Ų11.50%06%0.062CC..Hα-helixtrans-59.2-38.5175.6-64.90000112.5P222 C223 K225 T468 L469 G474P222-C472 HydrophobicContact CB-CB 4.03Å; P222-C472 WeakPolarHBondContact O-CB 3.28Å; C223-C472 WeakPolarHBondContact CA-SG 3.23Å; C223-C472 HydrophobicContact CB-CB 3.88Å; C223-C472 WeakPolarHBondContact CB-SG 3.46Å; C223-C472 WeakPolarHBondContact SG-CB 3.14Å; C223-C472 CovalentContact SG-SG 2.04Å; C223-C472 PolarHBondContact SG-SG 3.46Å; K225-C472 WeakPolarHBondContact CE-O 3.29Å; K225-C472 PolarHBondContact NZ-O 3.45Å; T468-C472 PolarHBondContact O-N 3.46Å; T468-C472 PolarHBondContact O-SG 3.41Å; L469-C472 WeakPolarHBondContact O-CB 3.42Å; L469-C472 PolarHBondContact O-N 2.64Å; C472-G474 PolarHBondContact O-N 3.46Å
473A92.3Very high94.7Very high0 Ų010.9 Ų10.90%06%0.058CC..Hα-helixtrans-68.8-16.7177.400000113.5P222 M441 Q443 I446 L469 A470 W471P222-A473 HydrophobicContact CB-CB 4.36Å; M441-A473 HydrophobicContact CG-CB 3.98Å; M441-A473 HydrophobicContact SD-CB 3.83Å; Q443-A473 HydrophobicContact CB-CB 4.39Å; I446-A473 HydrophobicContact CD1-CB 4.05Å; L469-A473 WeakPolarHBondContact O-CB 3.34Å; L469-A473 PolarHBondContact O-N 3.29Å; A470-A473 PolarHBondContact O-N 3.01Å; W471-A473 VanDerWaalsContact C-N 3.27Å; W471-A473 PolarHBondContact O-N 2.92Å
474G94Very high94.7Very high19 Ų1911.8 Ų11.820%0.1966%0.062CC..THydrogen-bonded Turntrans91.321.2177.500000114.5I446 A470 W471 C472 Q476I446-G474 WeakPolarHBondContact CG2-O 3.34Å; A470-G474 PolarHBondContact O-N 3.37Å; A470-G474 VanDerWaalsContact O-N 3.11Å; W471-G474 PolarHBondContact O-N 2.97Å; C472-G474 PolarHBondContact O-N 3.46Å; G474-Q476 PolarHBondContact O-NE2 2.87Å; G474-Q476 VanDerWaalsContact O-NE2 3.15Å
475A95.9Very high94.7Very high4 Ų412.9 Ų12.93%0.0337%0.065CC..  trans-61.5139.9175.600000110.8P234 I446 L458 A470P234-A475 WeakPolarHBondContact CG-O 3.21Å; I446-A475 HydrophobicContact CD1-CB 4.46Å; L458-A475 HydrophobicContact CD1-CB 3.94Å; L458-A475 HydrophobicContact CG-CB 4.3Å; A470-A475 HydrophobicContact CB-CB 4.21Å; A470-A475 WeakPolarHBondContact O-CB 3.47Å; A470-A475 PolarHBondContact O-N 3.32Å
476Q96.3Very high95Very high41 Ų4111 Ų1119%0.1926%0.058CC..SBendtrans-81.3-33-178.1-72.970.330.100111.7P234 A235 Q450 T456 G474P234-Q476 WeakPolarHBondContact CA-O 3.25Å; A235-Q476 PolarHBondContact N-O 3.41Å; Q450-Q476 VanDerWaalsContact CD-NE2 3.32Å; T456-Q476 PolarHBondContact O-N 3.04Å; T456-Q476 VanDerWaalsContact O-N 3.12Å; G474-Q476 PolarHBondContact O-NE2 2.87Å; G474-Q476 VanDerWaalsContact O-NE2 3.15Å
477S97.3Very high95.2Very high1 Ų113.1 Ų13.11%0.0077%0.073CC..EExtended strand (participates in β ladder)trans-148.7163.7175.565.70000112.3A235 W433 T456 N457 L458A235-S477 CarbonylContact O-C 3.31Å; A235-S477 WeakPolarHBondContact O-CA 3.37Å; A235-S477 VanDerWaalsContact O-CB 3.24Å; A235-S477 WeakPolarHBondContact O-CB 3.25Å; W433-S477 WeakPolarHBondContact CZ3-OG 3.38Å; T456-S477 PolarHBondContact O-N 3.07Å; N457-S477 WeakPolarHBondContact CA-O 3.2Å; N457-S477 WeakPolarHBondContact CA-OG 3.32Å; N457-S477 VanDerWaalsContact CB-OG 3.23Å; N457-S477 WeakPolarHBondContact CB-OG 3.46Å; N457-S477 VanDerWaalsContact CG-OG 3.27Å; N457-S477 VanDerWaalsContact OD1-C 3.25Å; N457-S477 WeakPolarHBondContact OD1-CB 3.26Å; N457-S477 PolarHBondContact OD1-O 2.75Å; N457-S477 PolarHBondContact OD1-OG 3.35Å; L458-S477 PolarHBondContact N-O 3.41Å; L458-S477 VanDerWaalsContact N-O 3.13Å
478V97.9Very high95.1Very high0 Ų016.7 Ų16.70%010%0.099CC..EExtended strand (participates in β ladder)trans-133140.3170.1-58.20000110.1P234 A235 L236 I237 N457 L458 I461 Y467 A470P234-V478 HydrophobicContact CB-CG1 4.12Å; A235-V478 PolarHBondContact O-N 3.06Å; L236-V478 HydrophobicContact CD2-CG2 3.49Å; L236-V478 VanDerWaalsContact CD2-CG2 3.49Å; I237-V478 PolarHBondContact N-O 3.37Å; N457-V478 WeakPolarHBondContact OD1-CA 3.18Å; N457-V478 PolarHBondContact OD1-N 3.34Å; L458-V478 HydrophobicContact CB-CG1 4.46Å; L458-V478 CarbonylContact O-C 3.57Å; L458-V478 VanDerWaalsContact O-CA 3.29Å; L458-V478 WeakPolarHBondContact O-CA 3.41Å; I461-V478 HydrophobicContact CB-CB 4.41Å; I461-V478 HydrophobicContact CD1-CB 4.33Å; I461-V478 HydrophobicContact CD1-CG1 3.84Å; Y467-V478 HydrophobicContact CD2-CG1 4.33Å; Y467-V478 HydrophobicContact CD2-CG2 3.7Å; Y467-V478 HydrophobicContact CE2-CG2 3.86Å; A470-V478 HydrophobicContact CB-CG1 4Å
479T98Very high95.2Very high2 Ų217.7 Ų17.71%0.01210%0.104CC..EExtended strand (participates in β ladder)trans-90.7128.8168.7-65.70000108.9I237 H239 E265 N457 L458 V460 I461I237-T479 CarbonylContact O-C 3.6Å; I237-T479 VanDerWaalsContact O-CA 3.25Å; I237-T479 WeakPolarHBondContact O-CA 3.25Å; H239-T479 HydrophobicContact CB-CG2 3.48Å; H239-T479 VanDerWaalsContact CB-CG2 3.48Å; E265-T479 HydrophobicContact CB-CG2 4.11Å; E265-T479 HydrophobicContact CG-CG2 4.15Å; N457-T479 PolarHBondContact ND2-OG1 2.76Å; N457-T479 PolarHBondContact OD1-N 2.93Å; L458-T479 PolarHBondContact O-N 3.1Å; V460-T479 CarbonylContact C-O 3.56Å; V460-T479 WeakPolarHBondContact CA-O 3.31Å; I461-T479 PolarHBondContact N-O 2.94Å
480T97.8Very high95.2Very high0 Ų024.5 Ų24.50%014%0.14CC..EExtended strand (participates in β ladder)trans-142.2144.7-167.4-174.30000114L236 I237 H239 I461 S482 V483 L486L236-T480 HydrophobicContact CB-CG2 4.44Å; L236-T480 HydrophobicContact CD2-CG2 4.39Å; I237-T480 PolarHBondContact O-N 2.71Å; H239-T480 WeakPolarHBondContact CB-O 3.39Å; H239-T480 PolarHBondContact N-O 2.82Å; I461-T480 WeakPolarHBondContact O-CA 3.43Å; I461-T480 WeakPolarHBondContact O-CB 3.32Å; I461-T480 PolarHBondContact O-OG1 2.96Å; T480-S482 VanDerWaalsContact C-N 3.33Å; T480-S482 PolarHBondContact OG1-N 2.93Å; T480-S482 PolarHBondContact OG1-OG 3.09Å; T480-S482 VanDerWaalsContact OG1-OG 3.14Å; T480-V483 HydrophobicContact CG2-CB 4.04Å; T480-L486 HydrophobicContact CG2-CD1 4.18Å; T480-L486 VanDerWaalsContact OG1-CD1 3.28Å; T480-L486 WeakPolarHBondContact OG1-CD1 3.46Å
481N96.8Very high95.1Very high13 Ų1332.2 Ų32.27%0.0717%0.174CC..SBendtrans-79.4-19.2167.6-64-42.3000112.4H239 P243 M244 F325 S462H239-N481 PolarHBondContact ND1-OD1 3.33Å; P243-N481 HydrophobicContact CG-CB 3.74Å; P243-N481 WeakPolarHBondContact CG-OD1 3.48Å; M244-N481 WeakPolarHBondContact CB-O 3.06Å; M244-N481 HydrophobicContact CG-CB 4.19Å; M244-N481 WeakPolarHBondContact CG-O 3.48Å; F325-N481 HydrophobicContact CE1-CB 4.35Å; F325-N481 HydrophobicContact CZ-CB 4.36Å; S462-N481 WeakPolarHBondContact OG-CB 3.37Å; S462-N481 PolarHBondContact OG-N 3.19Å; S462-N481 PolarHBondContact OG-ND2 2.66Å
482S95.4Very high94.9Very high0 Ų031.6 Ų31.60%017%0.173CC..  trans-114.539.1-165.465.30000112.8M244 S462 T480 H484 I485 L486M244-S482 WeakPolarHBondContact SD-CB 3.45Å; S462-S482 VanDerWaalsContact CA-OG 3.26Å; S462-S482 WeakPolarHBondContact CA-OG 3.45Å; S462-S482 PolarHBondContact O-OG 2.82Å; T480-S482 VanDerWaalsContact C-N 3.33Å; T480-S482 PolarHBondContact OG1-N 2.93Å; T480-S482 PolarHBondContact OG1-OG 3.09Å; T480-S482 VanDerWaalsContact OG1-OG 3.14Å; S482-H484 PolarHBondContact O-N 2.92Å; S482-I485 WeakPolarHBondContact O-CA 3.32Å; S482-I485 WeakPolarHBondContact O-CB 3.41Å; S482-I485 PolarHBondContact O-N 3.2Å; S482-L486 PolarHBondContact O-N 3.24Å; S482-L486 WeakPolarHBondContact OG-CG 3.45Å
483V95.3Very high94.7Very high1 Ų137.2 Ų37.21%0.00620%0.202CC..Hα-helixtrans-49.2-39.8-175.668.40000113.6L236 A242 T480 I485 S487L236-V483 HydrophobicContact CB-CG2 4.05Å; L236-V483 HydrophobicContact CD1-CG2 4.07Å; A242-V483 HydrophobicContact CB-CG1 3.92Å; T480-V483 HydrophobicContact CG2-CB 4.04Å; V483-I485 VanDerWaalsContact C-N 3.34Å; V483-I485 PolarHBondContact O-N 3.38Å; V483-S487 WeakPolarHBondContact O-CB 3.43Å; V483-S487 PolarHBondContact O-N 3.12Å; V483-S487 PolarHBondContact O-OG 3.25Å
484H93.3Very high94.3Very high62 Ų6238.1 Ų38.129%0.28721%0.206SC..Hα-helixtrans-68.9-27.7178.167.5-78.5000114L245 S482 S487L245-H484 HydrophobicContact CD1-CB 3.83Å; S482-H484 PolarHBondContact O-N 2.92Å; H484-S487 PolarHBondContact O-OG 3.33Å
485I94.8Very high94.1Very high60 Ų6041.1 Ų41.131%0.30822%0.217SC..Hα-helixtrans-80.4-51.1176.1-54.3-175.7000109M244 P464 S482 V483 S487 S488M244-I485 HydrophobicContact CE-CD1 4Å; M244-I485 HydrophobicContact SD-CD1 4.41Å; P464-I485 HydrophobicContact CG-CG2 4.17Å; S482-I485 WeakPolarHBondContact O-CA 3.32Å; S482-I485 WeakPolarHBondContact O-CB 3.41Å; S482-I485 PolarHBondContact O-N 3.2Å; V483-I485 VanDerWaalsContact C-N 3.34Å; V483-I485 PolarHBondContact O-N 3.38Å; I485-S487 PolarHBondContact O-N 3.25Å; I485-S488 PolarHBondContact O-N 2.93Å; I485-S488 PolarHBondContact O-OG 3.41Å
486L96.6Very high93.8Very high0 Ų042.2 Ų42.20%022%0.222CC..Hα-helixtrans-70.5-31.4-173-57.8-172.8000112.9L236 I461 P464 Y467 T480 S482 S488 I489L236-L486 HydrophobicContact CD1-CB 3.97Å; L236-L486 HydrophobicContact CD2-CB 3.96Å; L236-L486 HydrophobicContact CD2-CD1 4.31Å; I461-L486 WeakPolarHBondContact O-CD1 3.21Å; P464-L486 HydrophobicContact CG-CD2 4.36Å; Y467-L486 HydrophobicContact CD1-CB 4.44Å; Y467-L486 HydrophobicContact CD1-CD2 4.37Å; Y467-L486 HydrophobicContact CD2-CD1 4.14Å; Y467-L486 HydrophobicContact CG-CB 4.42Å; Y467-L486 HydrophobicContact CG-CD1 4.1Å; Y467-L486 HydrophobicContact CG-CD2 4.17Å; Y467-L486 HydrophobicContact CG-CG 4.46Å; T480-L486 HydrophobicContact CG2-CD1 4.18Å; T480-L486 VanDerWaalsContact OG1-CD1 3.28Å; T480-L486 WeakPolarHBondContact OG1-CD1 3.46Å; S482-L486 PolarHBondContact O-N 3.24Å; S482-L486 WeakPolarHBondContact OG-CG 3.45Å; L486-S488 PolarHBondContact O-N 2.92Å; L486-I489 HydrophobicContact CD2-CD1 3.85Å; L486-I489 WeakPolarHBondContact O-CB 3.34Å; L486-I489 PolarHBondContact O-N 3.42Å
487S95.1Very high93.6Very high44 Ų4441.6 Ų41.631%0.30822%0.221SC..THydrogen-bonded Turntrans-62.8-24.717652.90000113.2V483 H484 I485 I489V483-S487 WeakPolarHBondContact O-CB 3.43Å; V483-S487 PolarHBondContact O-N 3.12Å; V483-S487 PolarHBondContact O-OG 3.25Å; H484-S487 PolarHBondContact O-OG 3.33Å; I485-S487 PolarHBondContact O-N 3.25Å; S487-I489 PolarHBondContact O-N 2.65Å
488S94.7Very high93.3Very high80 Ų8043.8 Ų43.856%0.55924%0.235SC*.THydrogen-bonded Turntrans-75.9-11.7176.175.90000113.7I485 L486 N490I485-S488 PolarHBondContact O-N 2.93Å; I485-S488 PolarHBondContact O-OG 3.41Å; L486-S488 PolarHBondContact O-N 2.92Å; S488-N490 PolarHBondContact O-N 3.25Å; S488-N490 PolarHBondContact O-ND2 3.13Å
489I94.6Very high93Very high23 Ų2351.3 Ų51.312%0.11827%0.27CS..  trans-85.795.8-175.3-57.5175.6000109.8P464 Y467 T468 L486 S487 K491P464-I489 HydrophobicContact CB-CD1 3.72Å; P464-I489 HydrophobicContact CG-CD1 4.32Å; Y467-I489 HydrophobicContact CD1-CB 4.26Å; Y467-I489 HydrophobicContact CD1-CD1 3.91Å; Y467-I489 HydrophobicContact CD1-CG2 4.22Å; Y467-I489 HydrophobicContact CE1-CB 4.01Å; Y467-I489 HydrophobicContact CE1-CD1 4.47Å; Y467-I489 HydrophobicContact CE1-CG2 4.11Å; T468-I489 HydrophobicContact CG2-CG2 3.91Å; L486-I489 HydrophobicContact CD2-CD1 3.85Å; L486-I489 WeakPolarHBondContact O-CB 3.34Å; L486-I489 PolarHBondContact O-N 3.42Å; S487-I489 PolarHBondContact O-N 2.65Å; I489-K491 WeakPolarHBondContact CG2-O 3.05Å
490N91.9Very high92.7Very high144 Ų14456.1 Ų56.177%0.7729%0.293SS*.  trans-86.4-6.7-179.4-63.9-57.3000114.5W471 S488W471-N490 WeakPolarHBondContact CH2-O 3.43Å; S488-N490 PolarHBondContact O-N 3.25Å; S488-N490 PolarHBondContact O-ND2 3.13Å
491K91.6Very high92.4Very high161 Ų16157.2 Ų57.270%0.730%0.297SS*.SBendtrans-152.7152176.160.8177-178.8175.80110.3I489 L493I489-K491 WeakPolarHBondContact CG2-O 3.05Å; K491-L493 PolarHBondContact O-N 3.19Å
492P91.2Very high92.1Very high9 Ų959 Ų596%0.05831%0.31CS..  trans-55.2140.3172.4-24.133.8000111.5L230 T468 W471 F494 L495L230-P492 HydrophobicContact CD1-CG 4.25Å; L230-P492 HydrophobicContact CD2-CG 3.59Å; T468-P492 HydrophobicContact CG2-CB 4.38Å; W471-P492 HydrophobicContact CD2-CG 3.94Å; W471-P492 HydrophobicContact CE3-CG 3.86Å; W471-P492 HydrophobicContact CG-CG 4.42Å; W471-P492 HydrophobicContact CZ3-CG 4.3Å; P492-F494 PolarHBondContact O-N 3.02Å; P492-L495 HydrophobicContact CB-CB 4.22Å
493L87.8Confident92Very high118 Ų11864.5 Ų64.562%0.61834%0.339SS*.SBendtrans-63.1-34.8176.9-71.9173.3000110.7P464 T468 K491P464-L493 HydrophobicContact CB-CD1 3.7Å; T468-L493 HydrophobicContact CG2-CB 4.29Å; T468-L493 HydrophobicContact CG2-CD1 4.47Å; T468-L493 HydrophobicContact CG2-CG 4.01Å; K491-L493 PolarHBondContact O-N 3.19Å
494F84.3Confident91.8Very high18 Ų1866.6 Ų66.68%0.07935%0.349CS..SBendtrans-126.4119174.2-179.8-106.3000109.1P168 F169 C223 P492 M496P168-F494 HydrophobicContact CG-CZ 4.05Å; F169-F494 AromaticContact CE2-CD2 3.52Å; F169-F494 HydrophobicContact CE2-CD2 3.52Å; F169-F494 AromaticContact CE2-CE2 3.56Å; F169-F494 HydrophobicContact CE2-CE2 3.56Å; F169-F494 HydrophobicContact CE2-CG 4.31Å; F169-F494 HydrophobicContact CE2-CZ 4.39Å; F169-F494 AromaticContact CZ-CD2 3.53Å; F169-F494 HydrophobicContact CZ-CD2 3.53Å; F169-F494 AromaticContact CZ-CE2 3.5Å; F169-F494 HydrophobicContact CZ-CE2 3.5Å; F169-F494 VanDerWaalsContact CZ-CE2 3.5Å; C223-F494 HydrophobicContact CB-CD1 3.71Å; C223-F494 HydrophobicContact CB-CE1 4.15Å; C223-F494 WeakPolarHBondContact CB-O 3.45Å; C223-F494 PolarHBondContact SG-O 2.9Å; P492-F494 PolarHBondContact O-N 3.02Å; F494-M496 HydrophobicContact CE2-CB 4.35Å; F494-M496 HydrophobicContact CE2-CE 3.8Å; F494-M496 HydrophobicContact CZ-CB 4.07Å; F494-M496 HydrophobicContact CZ-CE 4.22Å; F494-M496 HydrophobicContact CZ-SD 4.43Å
495L89.2Confident91.8Very high82 Ų8266 Ų6643%0.42935%0.345SS..  trans-147.3128170.9-175.870.8000106.7K225 L230 P492K225-L495 HydrophobicContact CB-CD1 4.41Å; L230-L495 HydrophobicContact CD2-CD2 4.14Å; P492-L495 HydrophobicContact CB-CB 4.22Å
496M89.9Confident91.7Very high28 Ų2867.2 Ų67.214%0.13835%0.351CS..BIsolated β-bridgetrans-142.7142-176.7-170176.3-75.100109.4C223 I224 K225 F494 E500 Y501 M504C223-M496 PolarHBondContact O-N 3.19Å; C223-M496 VanDerWaalsContact O-N 3.14Å; I224-M496 CarbonylContact C-O 3.5Å; I224-M496 VanDerWaalsContact CA-O 3.22Å; I224-M496 WeakPolarHBondContact CA-O 3.28Å; K225-M496 PolarHBondContact N-O 3.47Å; F494-M496 HydrophobicContact CE2-CB 4.35Å; F494-M496 HydrophobicContact CE2-CE 3.8Å; F494-M496 HydrophobicContact CZ-CB 4.07Å; F494-M496 HydrophobicContact CZ-CE 4.22Å; F494-M496 HydrophobicContact CZ-SD 4.43Å; M496-E500 HydrophobicContact CG-CB 3.49Å; M496-E500 VanDerWaalsContact CG-CB 3.49Å; M496-E500 HydrophobicContact SD-CB 4.26Å; M496-Y501 WeakPolarHBondContact SD-CA 3.39Å; M496-Y501 HydrophobicContact SD-CD2 4.08Å; M496-Y501 HydrophobicContact SD-CG 4.39Å; M496-Y501 PolarHBondContact SD-N 3.22Å; M496-M504 HydrophobicContact CE-CE 4.09Å; M496-M504 HydrophobicContact CE-SD 4.01Å; M496-M504 HydrophobicContact SD-CE 4.06Å
497T92.1Very high91.6Very high27 Ų2772.2 Ų72.217%0.16638%0.377CS..  trans-76.1155.3171.6600000111K225 A227 E499 E500 Y501K225-T497 WeakPolarHBondContact O-CA 3.39Å; A227-T497 HydrophobicContact CB-CG2 4.3Å; T497-E499 PolarHBondContact O-N 2.86Å; T497-E500 PolarHBondContact N-OE2 3.31Å; T497-E500 PolarHBondContact O-N 3.22Å; T497-E500 WeakPolarHBondContact OG1-CB 3.42Å; T497-E500 VanDerWaalsContact OG1-CD 3.26Å; T497-E500 WeakPolarHBondContact OG1-CG 3.2Å; T497-E500 PolarHBondContact OG1-N 3.21Å; T497-E500 PolarHBondContact OG1-OE2 2.78Å; T497-Y501 WeakPolarHBondContact O-CB 3.43Å; T497-Y501 PolarHBondContact O-N 2.77Å
498P91.2Very high91.6Very high48 Ų4871 Ų7131%0.31237%0.368SS..Hα-helixtrans-55.6-34173.4-27.437000113.1I224 E226 S502I224-P498 HydrophobicContact CG2-CB 4.37Å; I224-P498 HydrophobicContact CG2-CG 4.07Å; E226-P498 WeakPolarHBondContact OE1-CG 3.18Å; P498-S502 WeakPolarHBondContact O-CB 3.35Å; P498-S502 PolarHBondContact O-N 3.38Å
499E92.1Very high91.5Very high157 Ų15768.2 Ų68.273%0.73435%0.347SS*.Hα-helixtrans-66.6-49.5176-65.4-171.7170.800112.3T497 Y501 S502 L503T497-E499 PolarHBondContact O-N 2.86Å; E499-Y501 VanDerWaalsContact C-N 3.28Å; E499-Y501 PolarHBondContact O-N 3.15Å; E499-S502 PolarHBondContact O-N 3.13Å; E499-L503 WeakPolarHBondContact O-CB 3.5Å; E499-L503 PolarHBondContact O-N 3.23Å
500E91.7Very high91.5Very high104 Ų10472.7 Ų72.749%0.48637%0.37SS..Hα-helixtrans-60.1-40.3176.3-74.3165.7149.800111.6M496 T497 L503 M504M496-E500 HydrophobicContact CG-CB 3.49Å; M496-E500 VanDerWaalsContact CG-CB 3.49Å; M496-E500 HydrophobicContact SD-CB 4.26Å; T497-E500 PolarHBondContact N-OE2 3.31Å; T497-E500 PolarHBondContact O-N 3.22Å; T497-E500 WeakPolarHBondContact OG1-CB 3.42Å; T497-E500 VanDerWaalsContact OG1-CD 3.26Å; T497-E500 WeakPolarHBondContact OG1-CG 3.2Å; T497-E500 PolarHBondContact OG1-N 3.21Å; T497-E500 PolarHBondContact OG1-OE2 2.78Å; E500-L503 PolarHBondContact O-N 3.06Å; E500-M504 WeakPolarHBondContact O-CB 3.36Å; E500-M504 PolarHBondContact O-N 3.17Å
501Y90.8Very high91.7Very high23 Ų2369.3 Ų69.39%0.0935%0.354CS..Hα-helixtrans-63.5-47.4176.6177-104.7000111.8P168 P216 M219 I224 M496 T497 E499 L503 M504 W505P168-Y501 HydrophobicContact CB-CD2 4.38Å; P168-Y501 HydrophobicContact CB-CE2 3.9Å; P168-Y501 HydrophobicContact CG-CD2 4.41Å; P168-Y501 HydrophobicContact CG-CE2 3.88Å; P216-Y501 WeakPolarHBondContact CB-OH 3.29Å; P216-Y501 PolarHBondContact O-OH 3.2Å; M219-Y501 WeakPolarHBondContact CE-OH 3.18Å; I224-Y501 HydrophobicContact CD1-CD1 4.1Å; I224-Y501 HydrophobicContact CD1-CD2 3.66Å; I224-Y501 HydrophobicContact CD1-CE1 4.26Å; I224-Y501 HydrophobicContact CD1-CE2 3.84Å; I224-Y501 HydrophobicContact CD1-CG 3.78Å; I224-Y501 HydrophobicContact CG1-CD2 4.45Å; I224-Y501 HydrophobicContact CG1-CG 4.48Å; M496-Y501 WeakPolarHBondContact SD-CA 3.39Å; M496-Y501 HydrophobicContact SD-CD2 4.08Å; M496-Y501 HydrophobicContact SD-CG 4.39Å; M496-Y501 PolarHBondContact SD-N 3.22Å; T497-Y501 WeakPolarHBondContact O-CB 3.43Å; T497-Y501 PolarHBondContact O-N 2.77Å; E499-Y501 VanDerWaalsContact C-N 3.28Å; E499-Y501 PolarHBondContact O-N 3.15Å; Y501-L503 VanDerWaalsContact C-N 3.34Å; Y501-L503 PolarHBondContact O-N 3.41Å; Y501-M504 HydrophobicContact CD2-CE 4.02Å; Y501-M504 HydrophobicContact CE2-CE 4.35Å; Y501-M504 PolarHBondContact O-N 3.45Å; Y501-W505 WeakPolarHBondContact O-CB 3.26Å; Y501-W505 PolarHBondContact O-N 2.83Å
502S91.2Very high91.9Very high49 Ų4961.9 Ų61.934%0.34332%0.323SS..Hα-helixtrans-61.5-42.5176.5-174.80000111.6P498 E499 W505 I506P498-S502 WeakPolarHBondContact O-CB 3.35Å; P498-S502 PolarHBondContact O-N 3.38Å; E499-S502 PolarHBondContact O-N 3.13Å; S502-W505 PolarHBondContact O-N 2.95Å; S502-I506 WeakPolarHBondContact O-CB 3.41Å; S502-I506 VanDerWaalsContact O-CG1 3.23Å; S502-I506 WeakPolarHBondContact O-CG1 3.48Å; S502-I506 PolarHBondContact O-N 2.55Å
503L93.4Very high92Very high117 Ų11763.4 Ų63.461%0.61334%0.336SS*.Hα-helixtrans-62.4-48.5177-176.670.5000111.7E499 E500 Y501 W505 I506 L507E499-L503 WeakPolarHBondContact O-CB 3.5Å; E499-L503 PolarHBondContact O-N 3.23Å; E500-L503 PolarHBondContact O-N 3.06Å; Y501-L503 VanDerWaalsContact C-N 3.34Å; Y501-L503 PolarHBondContact O-N 3.41Å; L503-W505 VanDerWaalsContact C-N 3.3Å; L503-W505 PolarHBondContact O-N 3.19Å; L503-I506 PolarHBondContact O-N 3.01Å; L503-L507 WeakPolarHBondContact O-CB 3.42Å; L503-L507 PolarHBondContact O-N 2.61Å
504M91.5Very high92.4Very high44 Ų4464.5 Ų64.522%0.21734%0.336CS..Hα-helixtrans-57.8-45.4177.7178.7-179.468.600111P168 V172 M496 E500 Y501 T508P168-M504 HydrophobicContact CB-CE 3.58Å; V172-M504 HydrophobicContact CG2-CG 4.34Å; V172-M504 HydrophobicContact CG2-SD 4.33Å; M496-M504 HydrophobicContact CE-CE 4.09Å; M496-M504 HydrophobicContact CE-SD 4.01Å; M496-M504 HydrophobicContact SD-CE 4.06Å; E500-M504 WeakPolarHBondContact O-CB 3.36Å; E500-M504 PolarHBondContact O-N 3.17Å; Y501-M504 HydrophobicContact CD2-CE 4.02Å; Y501-M504 HydrophobicContact CE2-CE 4.35Å; Y501-M504 PolarHBondContact O-N 3.45Å; M504-T508 VanDerWaalsContact O-CB 3.29Å; M504-T508 WeakPolarHBondContact O-CB 3.19Å; M504-T508 PolarHBondContact O-N 2.85Å; M504-T508 PolarHBondContact O-OG1 3.44Å
505W91.9Very high92.8Very high51 Ų5167.4 Ų67.419%0.19335%0.352CS..Hα-helixtrans-62.3-56.9177.5171.421000111.6H171 Y213 P216 L217 Y501 S502 L503 L507 T508 D509H171-W505 AromaticContact CE1-CD1 3.81Å; Y213-W505 WeakPolarHBondContact O-CZ2 3.43Å; Y213-W505 PolarHBondContact O-NE1 2.9Å; P216-W505 HydrophobicContact CB-CD2 3.4Å; P216-W505 HydrophobicContact CB-CE3 3.68Å; P216-W505 HydrophobicContact CB-CG 3.81Å; P216-W505 HydrophobicContact CB-CH2 4.26Å; P216-W505 HydrophobicContact CB-CZ2 3.98Å; P216-W505 HydrophobicContact CB-CZ3 4.1Å; P216-W505 HydrophobicContact CG-CD2 3.82Å; P216-W505 HydrophobicContact CG-CG 3.82Å; P216-W505 HydrophobicContact CG-CZ2 4.33Å; L217-W505 HydrophobicContact CD1-CH2 4.46Å; L217-W505 HydrophobicContact CD2-CH2 3.48Å; L217-W505 VanDerWaalsContact CD2-CH2 3.48Å; L217-W505 HydrophobicContact CD2-CZ3 4.02Å; L217-W505 HydrophobicContact CG-CH2 3.57Å; L217-W505 HydrophobicContact CG-CZ2 4.21Å; L217-W505 HydrophobicContact CG-CZ3 4.41Å; Y501-W505 WeakPolarHBondContact O-CB 3.26Å; Y501-W505 PolarHBondContact O-N 2.83Å; S502-W505 PolarHBondContact O-N 2.95Å; L503-W505 VanDerWaalsContact C-N 3.3Å; L503-W505 PolarHBondContact O-N 3.19Å; W505-L507 VanDerWaalsContact C-N 3.29Å; W505-L507 PolarHBondContact O-N 2.86Å; W505-T508 PolarHBondContact O-N 2.99Å; W505-T508 VanDerWaalsContact O-N 3.16Å; W505-D509 VanDerWaalsContact CD1-OD2 3.26Å; W505-D509 PolarHBondContact NE1-OD2 3.18Å; W505-D509 PolarHBondContact O-N 3.27Å
506I93.4Very high93Very high84 Ų8464.1 Ų64.143%0.43134%0.335SS..Hα-helixtrans-57.2-44.5-177.8-68.9166000110.8S502 L503 D509 L510S502-I506 WeakPolarHBondContact O-CB 3.41Å; S502-I506 VanDerWaalsContact O-CG1 3.23Å; S502-I506 WeakPolarHBondContact O-CG1 3.48Å; S502-I506 PolarHBondContact O-N 2.55Å; L503-I506 PolarHBondContact O-N 3.01Å; I506-D509 PolarHBondContact O-N 3.43Å; I506-L510 HydrophobicContact CG2-CD1 3.64Å; I506-L510 HydrophobicContact CG2-CG 4.18Å; I506-L510 WeakPolarHBondContact O-CB 3.49Å; I506-L510 VanDerWaalsContact O-CG 3.25Å; I506-L510 WeakPolarHBondContact O-CG 3.29Å; I506-L510 PolarHBondContact O-N 3.25Å
507L94.7Very high93.1Very high106 Ų10670.5 Ų70.556%0.55536%0.362SS*.Hα-helixtrans-65.2-42.9-179.5-172.4125.1000111.7L503 W505 D509 V511L503-L507 WeakPolarHBondContact O-CB 3.42Å; L503-L507 PolarHBondContact O-N 2.61Å; W505-L507 VanDerWaalsContact C-N 3.29Å; W505-L507 PolarHBondContact O-N 2.86Å; L507-D509 VanDerWaalsContact C-N 3.34Å; L507-D509 PolarHBondContact O-N 3.1Å; L507-V511 HydrophobicContact CD2-CG2 4.44Å; L507-V511 HydrophobicContact CG-CG2 4.3Å; L507-V511 VanDerWaalsContact O-CB 3.31Å; L507-V511 WeakPolarHBondContact O-CB 3.17Å; L507-V511 WeakPolarHBondContact O-CG2 3.4Å; L507-V511 PolarHBondContact O-N 2.92Å
508T94Very high93Very high19 Ų1972.5 Ų72.512%0.11738%0.381CS..Hα-helixtrans-59.9-46.1177.2-60.40000111V172 V175 M504 W505 S512V172-T508 HydrophobicContact CB-CG2 4.4Å; V172-T508 HydrophobicContact CG1-CG2 4.26Å; V172-T508 HydrophobicContact CG2-CG2 4.17Å; V175-T508 HydrophobicContact CB-CG2 4.08Å; V175-T508 HydrophobicContact CG1-CG2 3.88Å; M504-T508 VanDerWaalsContact O-CB 3.29Å; M504-T508 WeakPolarHBondContact O-CB 3.19Å; M504-T508 PolarHBondContact O-N 2.85Å; M504-T508 PolarHBondContact O-OG1 3.44Å; W505-T508 PolarHBondContact O-N 2.99Å; W505-T508 VanDerWaalsContact O-N 3.16Å; T508-S512 WeakPolarHBondContact O-CB 3.42Å; T508-S512 PolarHBondContact O-N 3.41Å
509D93.4Very high92.9Very high21 Ų2172.8 Ų72.811%0.11238%0.38CS..Hα-helixtrans-69.4-44-178.1-74.110.6000111.5H171 Y213 W505 I506 L507 S512 A513H171-D509 IonicContact CE1-OD1 2.83Å; H171-D509 PolarHBondContact CE1-OD1 3.13Å; H171-D509 IonicContact NE2-OD1 3.79Å; Y213-D509 WeakPolarHBondContact CB-OD2 3.5Å; Y213-D509 HydrophobicContact CD1-CB 4.02Å; Y213-D509 VanDerWaalsContact CD1-OD1 3.3Å; Y213-D509 WeakPolarHBondContact CD1-OD1 3.41Å; Y213-D509 WeakPolarHBondContact CD1-OD2 3.43Å; Y213-D509 HydrophobicContact CE1-CB 3.98Å; Y213-D509 HydrophobicContact CG-CB 4.47Å; Y213-D509 PolarHBondContact OH-O 3.3Å; W505-D509 VanDerWaalsContact CD1-OD2 3.26Å; W505-D509 PolarHBondContact NE1-OD2 3.18Å; W505-D509 PolarHBondContact O-N 3.27Å; I506-D509 PolarHBondContact O-N 3.43Å; L507-D509 VanDerWaalsContact C-N 3.34Å; L507-D509 PolarHBondContact O-N 3.1Å; D509-S512 PolarHBondContact O-N 3.08Å; D509-A513 VanDerWaalsContact O-CB 3.25Å; D509-A513 WeakPolarHBondContact O-CB 3.37Å; D509-A513 PolarHBondContact O-N 3.15Å
510L95.1Very high92.6Very high117 Ų11769 Ų6961%0.61336%0.361SS*.Hα-helixtrans-64.1-45.2178-73.2177.1000112.4I506 A513 F514I506-L510 HydrophobicContact CG2-CD1 3.64Å; I506-L510 HydrophobicContact CG2-CG 4.18Å; I506-L510 WeakPolarHBondContact O-CB 3.49Å; I506-L510 VanDerWaalsContact O-CG 3.25Å; I506-L510 WeakPolarHBondContact O-CG 3.29Å; I506-L510 PolarHBondContact O-N 3.25Å; L510-A513 PolarHBondContact O-N 3.26Å; L510-F514 WeakPolarHBondContact O-CB 3.2Å; L510-F514 PolarHBondContact O-N 2.89Å
511V95.3Very high92.6Very high73 Ų7367.3 Ų67.344%0.44236%0.355SS..Hα-helixtrans-64-44.5177.8170.90000110.2L507 F514 L515L507-V511 HydrophobicContact CD2-CG2 4.44Å; L507-V511 HydrophobicContact CG-CG2 4.3Å; L507-V511 VanDerWaalsContact O-CB 3.31Å; L507-V511 WeakPolarHBondContact O-CB 3.17Å; L507-V511 WeakPolarHBondContact O-CG2 3.4Å; L507-V511 PolarHBondContact O-N 2.92Å; V511-F514 PolarHBondContact O-N 3.02Å; V511-L515 HydrophobicContact CG1-CD1 3.97Å; V511-L515 HydrophobicContact CG1-CG 4.42Å; V511-L515 WeakPolarHBondContact O-CB 3.48Å; V511-L515 VanDerWaalsContact O-CG 3.29Å; V511-L515 WeakPolarHBondContact O-CG 3.47Å; V511-L515 PolarHBondContact O-N 3.26Å
512S95.5Very high92.7Very high5 Ų569.6 Ų69.64%0.03537%0.369CS..Hα-helixtrans-60.4-48.6176.2178.10000111.7V175 Y213 T508 D509 F514 L515 I516V175-S512 VanDerWaalsContact CG1-OG 3.27Å; V175-S512 WeakPolarHBondContact CG1-OG 3.35Å; Y213-S512 PolarHBondContact OH-OG 2.98Å; T508-S512 WeakPolarHBondContact O-CB 3.42Å; T508-S512 PolarHBondContact O-N 3.41Å; D509-S512 PolarHBondContact O-N 3.08Å; S512-F514 VanDerWaalsContact C-N 3.33Å; S512-F514 PolarHBondContact O-N 3.47Å; S512-L515 PolarHBondContact O-N 3.35Å; S512-I516 WeakPolarHBondContact O-CB 3.37Å; S512-I516 WeakPolarHBondContact O-CD1 3.5Å; S512-I516 WeakPolarHBondContact O-CG1 3.45Å; S512-I516 PolarHBondContact O-N 3.06Å; S512-I516 WeakPolarHBondContact OG-CD1 3.49Å
513A93.9Very high92.8Very high41 Ų4170.8 Ų70.834%0.33937%0.37SS..Hα-helixtrans-60.3-42.3178.400000112Y213 D509 L510 F517Y213-A513 PolarHBondContact OH-N 3.31Å; D509-A513 VanDerWaalsContact O-CB 3.25Å; D509-A513 WeakPolarHBondContact O-CB 3.37Å; D509-A513 PolarHBondContact O-N 3.15Å; L510-A513 PolarHBondContact O-N 3.26Å; A513-F517 VanDerWaalsContact O-CB 3.25Å; A513-F517 WeakPolarHBondContact O-CB 3.23Å; A513-F517 PolarHBondContact O-N 3.26Å
514F95.1Very high92.8Very high140 Ų14068.1 Ų68.161%0.61436%0.356SS*.Hα-helixtrans-61.8-47.2175.5175.7-97.9000112.1L510 V511 S512 F517 A518L510-F514 WeakPolarHBondContact O-CB 3.2Å; L510-F514 PolarHBondContact O-N 2.89Å; V511-F514 PolarHBondContact O-N 3.02Å; S512-F514 VanDerWaalsContact C-N 3.33Å; S512-F514 PolarHBondContact O-N 3.47Å; F514-F517 PolarHBondContact O-N 3.12Å; F514-A518 WeakPolarHBondContact O-CB 3.25Å; F514-A518 PolarHBondContact O-N 2.93Å
515L93.7Very high92.9Very high80 Ų8069.6 Ų69.642%0.41937%0.365SS..Hα-helixtrans-63.2-44.5178.8-71.6172.9000111.8V511 S512 A518 I519V511-L515 HydrophobicContact CG1-CD1 3.97Å; V511-L515 HydrophobicContact CG1-CG 4.42Å; V511-L515 WeakPolarHBondContact O-CB 3.48Å; V511-L515 VanDerWaalsContact O-CG 3.29Å; V511-L515 WeakPolarHBondContact O-CG 3.47Å; V511-L515 PolarHBondContact O-N 3.26Å; S512-L515 PolarHBondContact O-N 3.35Å; L515-A518 PolarHBondContact O-N 2.71Å; L515-I519 WeakPolarHBondContact O-CD1 3.44Å; L515-I519 VanDerWaalsContact O-CG1 3.27Å; L515-I519 WeakPolarHBondContact O-CG1 3.48Å; L515-I519 PolarHBondContact O-N 3.06Å; L515-I519 VanDerWaalsContact O-N 3.12Å
516I92.9Very high92.9Very high13 Ų1370.8 Ų70.87%0.06738%0.376CS..Hα-helixtrans-62.7-44.9177.9-66.1167.1000110A179 Y205 L209 S512 A518 I519 F520A179-I516 HydrophobicContact CB-CG1 4.29Å; Y205-I516 HydrophobicContact CE1-CG2 4.09Å; Y205-I516 WeakPolarHBondContact OH-CD1 3.45Å; L209-I516 HydrophobicContact CD1-CD1 3.86Å; L209-I516 HydrophobicContact CD2-CD1 3.63Å; L209-I516 HydrophobicContact CG-CD1 4.41Å; S512-I516 WeakPolarHBondContact O-CB 3.37Å; S512-I516 WeakPolarHBondContact O-CD1 3.5Å; S512-I516 WeakPolarHBondContact O-CG1 3.45Å; S512-I516 PolarHBondContact O-N 3.06Å; S512-I516 WeakPolarHBondContact OG-CD1 3.49Å; I516-A518 VanDerWaalsContact C-N 3.33Å; I516-A518 PolarHBondContact O-N 2.97Å; I516-I519 PolarHBondContact O-N 2.77Å; I516-F520 HydrophobicContact CG2-CD2 3.95Å; I516-F520 HydrophobicContact CG2-CE2 4.2Å; I516-F520 WeakPolarHBondContact O-CD2 3.45Å; I516-F520 PolarHBondContact O-N 3.49Å; I516-F520 VanDerWaalsContact O-N 3.1Å
517F91.8Very high92.9Very high161 Ų16169.9 Ų69.971%0.70637%0.372SS*.Hα-helixtrans-63.7-36176.3179.8-96.1000112.8A513 F514 I519A513-F517 VanDerWaalsContact O-CB 3.25Å; A513-F517 WeakPolarHBondContact O-CB 3.23Å; A513-F517 PolarHBondContact O-N 3.26Å; F514-F517 PolarHBondContact O-N 3.12Å; F517-I519 VanDerWaalsContact C-N 3.27Å; F517-I519 PolarHBondContact O-N 3.47Å
518A91.2Very high92.7Very high69 Ų6967.1 Ų67.157%0.5736%0.358SS*.Hα-helixtrans-70.8-24.3176.900000113.2F514 L515 I516F514-A518 WeakPolarHBondContact O-CB 3.25Å; F514-A518 PolarHBondContact O-N 2.93Å; L515-A518 PolarHBondContact O-N 2.71Å; I516-A518 VanDerWaalsContact C-N 3.33Å; I516-A518 PolarHBondContact O-N 2.97Å
519I88.6Confident92.6Very high55 Ų5571.1 Ų71.128%0.28238%0.378SS..Hα-helixtrans-86-36.9-178.5-74.4167.7000112.4S182 W183 A186 L515 I516 F517S182-I519 WeakPolarHBondContact OG-CD1 3.33Å; W183-I519 HydrophobicContact CB-CG2 4.2Å; W183-I519 HydrophobicContact CE3-CG2 4.19Å; A186-I519 HydrophobicContact CB-CG2 3.96Å; L515-I519 WeakPolarHBondContact O-CD1 3.44Å; L515-I519 VanDerWaalsContact O-CG1 3.27Å; L515-I519 WeakPolarHBondContact O-CG1 3.48Å; L515-I519 PolarHBondContact O-N 3.06Å; L515-I519 VanDerWaalsContact O-N 3.12Å; I516-I519 PolarHBondContact O-N 2.77Å; F517-I519 VanDerWaalsContact C-N 3.27Å; F517-I519 PolarHBondContact O-N 3.47Å
520F85.3Confident92.6Very high78 Ų7875.6 Ų75.634%0.34240%0.403SS..  trans-84.30177.4-87-87.8000112T185 A186 F189 F190 L202 Y205 I516T185-F520 HydrophobicContact CG2-CZ 3.97Å; A186-F520 HydrophobicContact CB-CD1 3.85Å; A186-F520 HydrophobicContact CB-CD2 4.15Å; A186-F520 HydrophobicContact CB-CE1 3.81Å; A186-F520 HydrophobicContact CB-CE2 4.11Å; A186-F520 HydrophobicContact CB-CG 4.03Å; A186-F520 HydrophobicContact CB-CZ 3.95Å; F189-F520 HydrophobicContact CB-CE1 4.39Å; F190-F520 WeakPolarHBondContact CZ-O 3.47Å; L202-F520 HydrophobicContact CD1-CE1 3.92Å; L202-F520 HydrophobicContact CD1-CZ 4.15Å; Y205-F520 HydrophobicContact CE1-CE2 4.36Å; I516-F520 HydrophobicContact CG2-CD2 3.95Å; I516-F520 HydrophobicContact CG2-CE2 4.2Å; I516-F520 WeakPolarHBondContact O-CD2 3.45Å; I516-F520 PolarHBondContact O-N 3.49Å; I516-F520 VanDerWaalsContact O-N 3.1Å

Retrieved 520 of 520 residues in 280.9 ms (Link to these results)

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