A0A087X2S5_POEFO Loading...

Cytochrome P450 26B1

AlphaFold DB , UniProt , Accession A0A087X2S5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 512 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
1M52.8Low69.1Low201 Ų201117.8 Ų117.899%0.9962%0.622SS**  0-60.30-77.8-151.5-90.400113.4D4M1-D4 WeakPolarHBondContact CA-OD2 3.46Å; M1-D4 PolarHBondContact N-OD2 2.76Å
2L53.4Low70.8Confident140 Ų140116.6 Ų116.673%0.73362%0.615SS**Hα-helixtrans-72.3-38175.9-85.4159.8000113.4S5 F6L2-S5 PolarHBondContact O-N 3.39Å; L2-S5 PolarHBondContact O-OG 3.26Å; L2-F6 PolarHBondContact O-N 3.47Å
3F54.4Low72.2Confident179 Ų179112.1 Ų112.179%0.78561%0.605SS**Hα-helixtrans-67.5-41.6178-79.8-83.5000113.1S5 F6 D7F3-S5 PolarHBondContact O-N 3.3Å; F3-F6 PolarHBondContact O-N 3.26Å; F3-F6 VanDerWaalsContact O-N 3.13Å; F3-D7 PolarHBondContact O-N 2.88Å
4D58Low73.7Confident111 Ų111109.8 Ų109.859%0.59460%0.597SS**Hα-helixtrans-61.7-31.3177.1-51-63.8000113M1 L8M1-D4 WeakPolarHBondContact CA-OD2 3.46Å; M1-D4 PolarHBondContact N-OD2 2.76Å; D4-L8 PolarHBondContact O-N 3.2Å
5S60.1Low74.9Confident50 Ų50109.3 Ų109.335%0.3559%0.593SS.*Hα-helixtrans-72.6-31.617869.60000113L2 F3 I9L2-S5 PolarHBondContact O-N 3.39Å; L2-S5 PolarHBondContact O-OG 3.26Å; F3-S5 PolarHBondContact O-N 3.3Å; S5-I9 WeakPolarHBondContact O-CD1 3.47Å; S5-I9 WeakPolarHBondContact O-CG1 3.37Å; S5-I9 PolarHBondContact O-N 3.1Å; S5-I9 VanDerWaalsContact O-N 3.14Å
6F67.4Low76.1Confident151 Ų151105.5 Ų105.566%0.66258%0.581SS**Hα-helixtrans-71.9-40176.6-101.6-88.3000112.1L2 F3 L8 I9 S10L2-F6 PolarHBondContact O-N 3.47Å; F3-F6 PolarHBondContact O-N 3.26Å; F3-F6 VanDerWaalsContact O-N 3.13Å; F6-L8 VanDerWaalsContact C-N 3.34Å; F6-I9 PolarHBondContact O-N 3.47Å; F6-S10 WeakPolarHBondContact O-CB 3.38Å; F6-S10 PolarHBondContact O-N 3.44Å
7D76.9Confident77.1Confident118 Ų118102.5 Ų102.563%0.63157%0.573SS**Hα-helixtrans-65.6-38.6176.5-74.3-26.1000111.7F3 S10 A11F3-D7 PolarHBondContact O-N 2.88Å; D7-S10 PolarHBondContact O-N 3.03Å; D7-A11 VanDerWaalsContact O-CB 3.25Å; D7-A11 WeakPolarHBondContact O-CB 3.42Å; D7-A11 PolarHBondContact O-N 2.93Å
8L79.5Confident78Confident110 Ų110100.6 Ų100.658%0.57657%0.567SS**Hα-helixtrans-64.9-43.4174.7-173.666.9000112.1D4 F6 A11 L12D4-L8 PolarHBondContact O-N 3.2Å; F6-L8 VanDerWaalsContact C-N 3.34Å; L8-A11 PolarHBondContact O-N 3.49Å; L8-L12 HydrophobicContact CG-CD1 4.14Å; L8-L12 WeakPolarHBondContact O-CB 3.03Å; L8-L12 VanDerWaalsContact O-CG 3.24Å; L8-L12 WeakPolarHBondContact O-CG 3.24Å; L8-L12 PolarHBondContact O-N 3.07Å
9I84.1Confident78.9Confident107 Ų107100.4 Ų100.455%0.54956%0.564SS.*Hα-helixtrans-65.1-42.6177.7-68.4164.8000110.8S5 F6 L12 A13S5-I9 WeakPolarHBondContact O-CD1 3.47Å; S5-I9 WeakPolarHBondContact O-CG1 3.37Å; S5-I9 PolarHBondContact O-N 3.1Å; S5-I9 VanDerWaalsContact O-N 3.14Å; F6-I9 PolarHBondContact O-N 3.47Å; I9-L12 PolarHBondContact O-N 3.17Å; I9-A13 WeakPolarHBondContact O-CB 3.48Å; I9-A13 PolarHBondContact O-N 3.33Å
10S86.3Confident79.7Confident71 Ų7199.7 Ų99.750%0.49756%0.562SS.*Hα-helixtrans-63.6-43.1176.4-175.30000112.1F6 D7 A13 T14F6-S10 WeakPolarHBondContact O-CB 3.38Å; F6-S10 PolarHBondContact O-N 3.44Å; D7-S10 PolarHBondContact O-N 3.03Å; S10-A13 PolarHBondContact O-N 3.49Å; S10-T14 WeakPolarHBondContact O-CB 3.4Å; S10-T14 PolarHBondContact O-N 2.9Å; S10-T14 PolarHBondContact O-OG1 3.09Å
11A87Confident80.4Confident58 Ų5898.4 Ų98.448%0.47956%0.559SS.*Hα-helixtrans-63.5-43.2175.700000111.9D7 L8 T14 L15D7-A11 VanDerWaalsContact O-CB 3.25Å; D7-A11 WeakPolarHBondContact O-CB 3.42Å; D7-A11 PolarHBondContact O-N 2.93Å; L8-A11 PolarHBondContact O-N 3.49Å; A11-T14 PolarHBondContact O-N 3.18Å; A11-L15 WeakPolarHBondContact O-CB 3.16Å; A11-L15 PolarHBondContact O-N 3.24Å
12L89.9Confident82.4Confident103 Ų10394.6 Ų94.654%0.53954%0.54SS..Hα-helixtrans-65.6-41.1176.1-73.2170.8000112.2L8 I9 L15 A16L8-L12 HydrophobicContact CG-CD1 4.14Å; L8-L12 WeakPolarHBondContact O-CB 3.03Å; L8-L12 VanDerWaalsContact O-CG 3.24Å; L8-L12 WeakPolarHBondContact O-CG 3.24Å; L8-L12 PolarHBondContact O-N 3.07Å; I9-L12 PolarHBondContact O-N 3.17Å; L12-L15 PolarHBondContact O-N 3.31Å; L12-A16 VanDerWaalsContact O-CB 3.32Å; L12-A16 WeakPolarHBondContact O-CB 3.1Å; L12-A16 PolarHBondContact O-N 2.79Å
13A89.4Confident84.3Confident58 Ų5890.8 Ų90.848%0.47953%0.529SS..Hα-helixtrans-64.9-41.1175.900000111.7I9 S10 A16 A17I9-A13 WeakPolarHBondContact O-CB 3.48Å; I9-A13 PolarHBondContact O-N 3.33Å; S10-A13 PolarHBondContact O-N 3.49Å; A13-A16 PolarHBondContact O-N 2.64Å; A13-A17 WeakPolarHBondContact O-CB 3.25Å; A13-A17 PolarHBondContact O-N 3.5Å
14T92Very high86.2Confident80 Ų8087.3 Ų87.349%0.49152%0.518SS..Hα-helixtrans-64.7-46.1175.8-55.40000110.8S10 A11 A16 A17 C18S10-T14 WeakPolarHBondContact O-CB 3.4Å; S10-T14 PolarHBondContact O-N 2.9Å; S10-T14 PolarHBondContact O-OG1 3.09Å; A11-T14 PolarHBondContact O-N 3.18Å; T14-A16 VanDerWaalsContact C-N 3.35Å; T14-A16 PolarHBondContact O-N 3.35Å; T14-A17 PolarHBondContact O-N 3.27Å; T14-C18 WeakPolarHBondContact O-CB 3.46Å; T14-C18 PolarHBondContact O-N 2.64Å; T14-C18 PolarHBondContact O-SG 2.71Å
15L92.8Very high88Confident103 Ų10388 Ų8854%0.53952%0.521SS..Hα-helixtrans-59.5-45.5175.3-176.269.4000111.2A11 L12 C18 L19A11-L15 WeakPolarHBondContact O-CB 3.16Å; A11-L15 PolarHBondContact O-N 3.24Å; L12-L15 PolarHBondContact O-N 3.31Å; L15-C18 PolarHBondContact O-N 2.76Å; L15-L19 HydrophobicContact CG-CD1 4.23Å; L15-L19 WeakPolarHBondContact O-CB 3.34Å; L15-L19 VanDerWaalsContact O-CG 3.27Å; L15-L19 WeakPolarHBondContact O-CG 3.3Å; L15-L19 PolarHBondContact O-N 3.26Å
16A93.1Very high89.5Confident48 Ų4889.1 Ų89.140%0.39753%0.525SS..Hα-helixtrans-61.3-44.6176.500000111.8L12 A13 T14 C18 L19 V20L12-A16 VanDerWaalsContact O-CB 3.32Å; L12-A16 WeakPolarHBondContact O-CB 3.1Å; L12-A16 PolarHBondContact O-N 2.79Å; A13-A16 PolarHBondContact O-N 2.64Å; T14-A16 VanDerWaalsContact C-N 3.35Å; T14-A16 PolarHBondContact O-N 3.35Å; A16-C18 PolarHBondContact O-N 3.38Å; A16-L19 PolarHBondContact O-N 2.81Å; A16-V20 WeakPolarHBondContact O-CB 3.43Å; A16-V20 VanDerWaalsContact O-CG2 3.3Å; A16-V20 WeakPolarHBondContact O-CG2 3.28Å; A16-V20 PolarHBondContact O-N 2.79Å
17A93.2Very high90.7Very high54 Ų5484.5 Ų84.545%0.44652%0.516SS..Hα-helixtrans-63.3-40.1176.600000112.3A13 T14 V20 S21A13-A17 WeakPolarHBondContact O-CB 3.25Å; A13-A17 PolarHBondContact O-N 3.5Å; T14-A17 PolarHBondContact O-N 3.27Å; A17-V20 PolarHBondContact O-N 3.12Å; A17-S21 VanDerWaalsContact O-CB 3.29Å; A17-S21 WeakPolarHBondContact O-CB 3.4Å; A17-S21 PolarHBondContact O-N 3.19Å; A17-S21 PolarHBondContact O-OG 3.41Å
18C94.6Very high91.5Very high69 Ų6982.6 Ų82.647%0.46651%0.508SS..Hα-helixtrans-63.2-44.7173.6-72.40000111.6T14 L15 A16 S21 M22T14-C18 WeakPolarHBondContact O-CB 3.46Å; T14-C18 PolarHBondContact O-N 2.64Å; T14-C18 PolarHBondContact O-SG 2.71Å; L15-C18 PolarHBondContact O-N 2.76Å; A16-C18 PolarHBondContact O-N 3.38Å; C18-S21 PolarHBondContact O-N 2.77Å; C18-M22 WeakPolarHBondContact O-CB 3.27Å; C18-M22 WeakPolarHBondContact O-CG 3.17Å; C18-M22 PolarHBondContact O-N 3.35Å
19L94.8Very high92.2Very high97 Ų9779.2 Ų79.251%0.50849%0.494SS..Hα-helixtrans-63.6-43.7177.4-71.3173.1000111.7L15 A16 M22 A23L15-L19 HydrophobicContact CG-CD1 4.23Å; L15-L19 WeakPolarHBondContact O-CB 3.34Å; L15-L19 VanDerWaalsContact O-CG 3.27Å; L15-L19 WeakPolarHBondContact O-CG 3.3Å; L15-L19 PolarHBondContact O-N 3.26Å; A16-L19 PolarHBondContact O-N 2.81Å; L19-M22 HydrophobicContact CD2-CE 4.1Å; L19-M22 PolarHBondContact O-N 2.88Å; L19-A23 WeakPolarHBondContact O-CB 3.38Å; L19-A23 PolarHBondContact O-N 3.35Å
20V95.3Very high92.7Very high86 Ų8676.7 Ų76.752%0.52148%0.479SS..Hα-helixtrans-63-43.9175.4170.70000111A16 A17 A23 L24A16-V20 WeakPolarHBondContact O-CB 3.43Å; A16-V20 VanDerWaalsContact O-CG2 3.3Å; A16-V20 WeakPolarHBondContact O-CG2 3.28Å; A16-V20 PolarHBondContact O-N 2.79Å; A17-V20 PolarHBondContact O-N 3.12Å; V20-A23 PolarHBondContact O-N 2.87Å; V20-L24 HydrophobicContact CG1-CD1 3.96Å; V20-L24 HydrophobicContact CG1-CG 4.47Å; V20-L24 WeakPolarHBondContact O-CB 3.45Å; V20-L24 WeakPolarHBondContact O-CG 3.35Å; V20-L24 PolarHBondContact O-N 2.74Å
21S94.4Very high93Very high72 Ų7279.6 Ų79.650%0.50349%0.485SS..Hα-helixtrans-63.2-42.9177.9-60.20000111.8A17 C18 L24 L25A17-S21 VanDerWaalsContact O-CB 3.29Å; A17-S21 WeakPolarHBondContact O-CB 3.4Å; A17-S21 PolarHBondContact O-N 3.19Å; A17-S21 PolarHBondContact O-OG 3.41Å; C18-S21 PolarHBondContact O-N 2.77Å; S21-L24 PolarHBondContact O-N 3.38Å; S21-L25 WeakPolarHBondContact O-CB 3.49Å; S21-L25 PolarHBondContact O-N 2.85Å
22M93.9Very high93.4Very high121 Ų12182 Ų8260%0.59649%0.489SS*.Hα-helixtrans-63.6-42.9174.1-74.8-153.9-6400111.8C18 L19 L25 V26C18-M22 WeakPolarHBondContact O-CB 3.27Å; C18-M22 WeakPolarHBondContact O-CG 3.17Å; C18-M22 PolarHBondContact O-N 3.35Å; L19-M22 HydrophobicContact CD2-CE 4.1Å; L19-M22 PolarHBondContact O-N 2.88Å; M22-L25 PolarHBondContact O-N 3.46Å; M22-V26 VanDerWaalsContact O-CG2 3.32Å; M22-V26 WeakPolarHBondContact O-CG2 3.43Å; M22-V26 PolarHBondContact O-N 3.41Å
23A93.3Very high93.6Very high60 Ų6077.9 Ų77.950%0.49647%0.467SS..Hα-helixtrans-62.5-43.7177.900000112L19 V20 V26 A27L19-A23 WeakPolarHBondContact O-CB 3.38Å; L19-A23 PolarHBondContact O-N 3.35Å; V20-A23 PolarHBondContact O-N 2.87Å; A23-V26 PolarHBondContact O-N 3.49Å; A23-A27 WeakPolarHBondContact O-CB 3.21Å; A23-A27 PolarHBondContact O-N 3.16Å
24L95.1Very high93.7Very high106 Ų10678.2 Ų78.256%0.55546%0.458SS*.Hα-helixtrans-62.8-44.5174.9-76.2168.9000111.6V20 S21 V26 A27 V28V20-L24 HydrophobicContact CG1-CD1 3.96Å; V20-L24 HydrophobicContact CG1-CG 4.47Å; V20-L24 WeakPolarHBondContact O-CB 3.45Å; V20-L24 WeakPolarHBondContact O-CG 3.35Å; V20-L24 PolarHBondContact O-N 2.74Å; S21-L24 PolarHBondContact O-N 3.38Å; L24-V26 VanDerWaalsContact C-N 3.34Å; L24-V26 PolarHBondContact O-N 2.92Å; L24-A27 PolarHBondContact O-N 3.39Å; L24-V28 WeakPolarHBondContact O-CB 3.39Å; L24-V28 VanDerWaalsContact O-CG2 3.3Å; L24-V28 WeakPolarHBondContact O-CG2 3.32Å; L24-V28 PolarHBondContact O-N 3.23Å
25L94.1Very high93.7Very high125 Ų12579.3 Ų79.365%0.65446%0.46SS*.Hα-helixtrans-62.6-42178.3-172.1142.5000111.5S21 M22 S29S21-L25 WeakPolarHBondContact O-CB 3.49Å; S21-L25 PolarHBondContact O-N 2.85Å; M22-L25 PolarHBondContact O-N 3.46Å; L25-S29 WeakPolarHBondContact O-CB 3.34Å; L25-S29 PolarHBondContact O-N 3.47Å; L25-S29 PolarHBondContact O-OG 2.85Å
26V91.9Very high93.8Very high74 Ų7481.8 Ų81.845%0.44846%0.463SS..Hα-helixtrans-62.4-47.7173.9171.30000110.6M22 A23 L24 S29 Q30M22-V26 VanDerWaalsContact O-CG2 3.32Å; M22-V26 WeakPolarHBondContact O-CG2 3.43Å; M22-V26 PolarHBondContact O-N 3.41Å; A23-V26 PolarHBondContact O-N 3.49Å; L24-V26 VanDerWaalsContact C-N 3.34Å; L24-V26 PolarHBondContact O-N 2.92Å; V26-S29 PolarHBondContact O-N 3.12Å; V26-S29 PolarHBondContact O-OG 3.25Å; V26-Q30 WeakPolarHBondContact O-CB 3.46Å; V26-Q30 PolarHBondContact O-N 3.24Å
27A92.8Very high93.7Very high55 Ų5580.4 Ų80.446%0.45545%0.447SS..Hα-helixtrans-61-47.5179.900000112.3A23 L24 Q30 Q31A23-A27 WeakPolarHBondContact O-CB 3.21Å; A23-A27 PolarHBondContact O-N 3.16Å; L24-A27 PolarHBondContact O-N 3.39Å; A27-Q30 PolarHBondContact O-N 2.67Å; A27-Q31 WeakPolarHBondContact O-CB 3.42Å; A27-Q31 PolarHBondContact O-N 3.13Å
28V95Very high93.5Very high77 Ų7781.6 Ų81.647%0.46745%0.449SS..Hα-helixtrans-62.9-44.6176.51730000110.6L24 Q30 Q31 L32L24-V28 WeakPolarHBondContact O-CB 3.39Å; L24-V28 VanDerWaalsContact O-CG2 3.3Å; L24-V28 WeakPolarHBondContact O-CG2 3.32Å; L24-V28 PolarHBondContact O-N 3.23Å; V28-Q30 VanDerWaalsContact C-N 3.28Å; V28-Q30 PolarHBondContact O-N 3.26Å; V28-Q31 PolarHBondContact O-N 3.21Å; V28-L32 HydrophobicContact CG1-CD1 3.95Å; V28-L32 HydrophobicContact CG1-CG 4.25Å; V28-L32 WeakPolarHBondContact O-CB 3.41Å; V28-L32 WeakPolarHBondContact O-CG 3.24Å; V28-L32 PolarHBondContact O-N 3.36Å
29S94.4Very high93.5Very high40 Ų4082 Ų8228%0.2846%0.457SS..Hα-helixtrans-60.6-39.9177.577.50000111.8L25 V26 W33L25-S29 WeakPolarHBondContact O-CB 3.34Å; L25-S29 PolarHBondContact O-N 3.47Å; L25-S29 PolarHBondContact O-OG 2.85Å; V26-S29 PolarHBondContact O-N 3.12Å; V26-S29 PolarHBondContact O-OG 3.25Å; S29-W33 VanDerWaalsContact O-CB 3.24Å; S29-W33 WeakPolarHBondContact O-CB 3.49Å; S29-W33 PolarHBondContact O-N 3.39Å
30Q92.9Very high93.4Very high54 Ų5479.7 Ų79.725%0.25245%0.447SS..Hα-helixtrans-67.5-40.1177.3-16965.112.300111.1V26 A27 V28 W33 Q34 G55V26-Q30 WeakPolarHBondContact O-CB 3.46Å; V26-Q30 PolarHBondContact O-N 3.24Å; A27-Q30 PolarHBondContact O-N 2.67Å; V28-Q30 VanDerWaalsContact C-N 3.28Å; V28-Q30 PolarHBondContact O-N 3.26Å; Q30-W33 WeakPolarHBondContact O-CB 3.09Å; Q30-W33 PolarHBondContact O-N 3.34Å; Q30-Q34 WeakPolarHBondContact O-CG 3.23Å; Q30-Q34 PolarHBondContact O-N 2.96Å; Q30-G55 PolarHBondContact NE2-O 3.49Å
31Q93.1Very high93.3Very high131 Ų13180.3 Ų80.361%0.61244%0.44SS*.Hα-helixtrans-68.6-44178.1-168.1163.4-3.800111.8A27 V28 W33 Q34 L35A27-Q31 WeakPolarHBondContact O-CB 3.42Å; A27-Q31 PolarHBondContact O-N 3.13Å; V28-Q31 PolarHBondContact O-N 3.21Å; Q31-W33 VanDerWaalsContact C-N 3.28Å; Q31-W33 PolarHBondContact O-N 3.45Å; Q31-Q34 PolarHBondContact O-N 2.83Å; Q31-L35 HydrophobicContact CG-CD1 4.33Å; Q31-L35 WeakPolarHBondContact O-CB 3.46Å; Q31-L35 VanDerWaalsContact O-CG 3.3Å; Q31-L35 WeakPolarHBondContact O-CG 3.45Å; Q31-L35 PolarHBondContact O-N 3.04Å
32L95.1Very high93.4Very high109 Ų10979 Ų7957%0.57143%0.428SS*.Hα-helixtrans-60.9-38.1172.8-69.8176.1000111.7V28 L35 R36V28-L32 HydrophobicContact CG1-CD1 3.95Å; V28-L32 HydrophobicContact CG1-CG 4.25Å; V28-L32 WeakPolarHBondContact O-CB 3.41Å; V28-L32 WeakPolarHBondContact O-CG 3.24Å; V28-L32 PolarHBondContact O-N 3.36Å; L32-L35 PolarHBondContact O-N 3.45Å; L32-R36 WeakPolarHBondContact O-CB 3.45Å; L32-R36 PolarHBondContact O-N 2.85Å
33W94.3Very high93.4Very high17 Ų1782.2 Ų82.26%0.06444%0.438CS..Hα-helixtrans-63.5-45.2175.3-176-116.7000112.4S29 Q30 Q31 R36 W37 M54 G55 P57 F58 H87S29-W33 VanDerWaalsContact O-CB 3.24Å; S29-W33 WeakPolarHBondContact O-CB 3.49Å; S29-W33 PolarHBondContact O-N 3.39Å; Q30-W33 WeakPolarHBondContact O-CB 3.09Å; Q30-W33 PolarHBondContact O-N 3.34Å; Q31-W33 VanDerWaalsContact C-N 3.28Å; Q31-W33 PolarHBondContact O-N 3.45Å; W33-R36 PolarHBondContact O-N 3.32Å; W33-W37 AromaticContact CD2-CD1 3.88Å; W33-W37 AromaticContact CD2-NE1 3.38Å; W33-W37 AromaticContact CE2-CD1 3.74Å; W33-W37 AromaticContact CE2-NE1 3.08Å; W33-W37 AromaticContact CE3-NE1 3.67Å; W33-W37 AromaticContact CH2-CE2 3.81Å; W33-W37 AromaticContact CH2-CZ2 3.61Å; W33-W37 HydrophobicContact CH2-CZ2 3.61Å; W33-W37 AromaticContact CH2-NE1 3.39Å; W33-W37 AromaticContact CZ2-CE2 3.87Å; W33-W37 HydrophobicContact CZ2-CZ2 4.04Å; W33-W37 AromaticContact CZ2-NE1 3.09Å; W33-W37 HydrophobicContact CZ3-CZ2 4.06Å; W33-W37 AromaticContact CZ3-NE1 3.67Å; W33-W37 AromaticContact NE1-CD1 3.93Å; W33-W37 AromaticContact NE1-NE1 3.69Å; W33-W37 PolarHBondContact O-N 3.43Å; W33-M54 PolarHBondContact NE1-O 2.86Å; W33-G55 PolarHBondContact NE1-O 3.19Å; W33-P57 HydrophobicContact CB-CG 4.05Å; W33-P57 HydrophobicContact CD2-CB 4.17Å; W33-P57 HydrophobicContact CD2-CG 4.49Å; W33-P57 HydrophobicContact CE3-CB 4.14Å; W33-P57 HydrophobicContact CG-CB 4.38Å; W33-P57 HydrophobicContact CG-CG 4.18Å; W33-F58 VanDerWaalsContact CH2-N 3.33Å; W33-H87 AromaticContact CH2-CD2 3.98Å; W33-H87 AromaticContact CH2-CE1 3.87Å; W33-H87 AromaticContact CH2-NE2 3.51Å; W33-H87 AromaticContact CZ2-CD2 3.63Å; W33-H87 AromaticContact CZ2-CE1 3.86Å; W33-H87 AromaticContact CZ2-CG 3.89Å; W33-H87 AromaticContact CZ2-NE2 3.62Å
34Q91Very high93.6Very high64 Ų6486.7 Ų86.730%0.29945%0.454SS..Hα-helixtrans-64.6-42.2174.8-67.9-61.1-25.600112Q30 Q31 W37 T38Q30-Q34 WeakPolarHBondContact O-CG 3.23Å; Q30-Q34 PolarHBondContact O-N 2.96Å; Q31-Q34 PolarHBondContact O-N 2.83Å; Q34-W37 PolarHBondContact O-N 3.46Å; Q34-T38 WeakPolarHBondContact O-CB 3.45Å; Q34-T38 PolarHBondContact O-N 3.26Å; Q34-T38 PolarHBondContact O-OG1 3.01Å
35L93.1Very high93.5Very high103 Ų10382.8 Ų82.854%0.53944%0.435SS..Hα-helixtrans-61.3-45.9176.8-75.8168.1000111.4Q31 L32 W37 T38 A39Q31-L35 HydrophobicContact CG-CD1 4.33Å; Q31-L35 WeakPolarHBondContact O-CB 3.46Å; Q31-L35 VanDerWaalsContact O-CG 3.3Å; Q31-L35 WeakPolarHBondContact O-CG 3.45Å; Q31-L35 PolarHBondContact O-N 3.04Å; L32-L35 PolarHBondContact O-N 3.45Å; L35-W37 VanDerWaalsContact C-N 3.32Å; L35-W37 PolarHBondContact O-N 3.18Å; L35-T38 PolarHBondContact O-N 3.01Å; L35-A39 WeakPolarHBondContact O-CB 3.18Å; L35-A39 PolarHBondContact O-N 2.78Å
36R93.8Very high93.6Very high155 Ų15586.7 Ų86.759%0.58545%0.447SS*.Hα-helixtrans-51.4-51176175.5-175.9175.884.21.4111.4L32 W33 A39L32-R36 WeakPolarHBondContact O-CB 3.45Å; L32-R36 PolarHBondContact O-N 2.85Å; W33-R36 PolarHBondContact O-N 3.32Å; R36-A39 PolarHBondContact O-N 3.15Å
37W91.9Very high93.9Very high20 Ų2085.3 Ų85.38%0.07644%0.437CS..Hα-helixtrans-76.3-31.6-176.7-64.6120000113.1W33 Q34 L35 A39 T40 M54 H87 P92 W390W33-W37 AromaticContact CD2-CD1 3.88Å; W33-W37 AromaticContact CD2-NE1 3.38Å; W33-W37 AromaticContact CE2-CD1 3.74Å; W33-W37 AromaticContact CE2-NE1 3.08Å; W33-W37 AromaticContact CE3-NE1 3.67Å; W33-W37 AromaticContact CH2-CE2 3.81Å; W33-W37 AromaticContact CH2-CZ2 3.61Å; W33-W37 HydrophobicContact CH2-CZ2 3.61Å; W33-W37 AromaticContact CH2-NE1 3.39Å; W33-W37 AromaticContact CZ2-CE2 3.87Å; W33-W37 HydrophobicContact CZ2-CZ2 4.04Å; W33-W37 AromaticContact CZ2-NE1 3.09Å; W33-W37 HydrophobicContact CZ3-CZ2 4.06Å; W33-W37 AromaticContact CZ3-NE1 3.67Å; W33-W37 AromaticContact NE1-CD1 3.93Å; W33-W37 AromaticContact NE1-NE1 3.69Å; W33-W37 PolarHBondContact O-N 3.43Å; Q34-W37 PolarHBondContact O-N 3.46Å; L35-W37 VanDerWaalsContact C-N 3.32Å; L35-W37 PolarHBondContact O-N 3.18Å; W37-A39 VanDerWaalsContact C-N 3.27Å; W37-A39 PolarHBondContact O-N 3.26Å; W37-T40 HydrophobicContact CE3-CG2 3.93Å; W37-T40 HydrophobicContact CZ3-CG2 4.29Å; W37-T40 PolarHBondContact O-N 3.32Å; W37-T40 PolarHBondContact O-OG1 2.91Å; W37-M54 HydrophobicContact CB-CE 4.36Å; W37-M54 HydrophobicContact CB-CG 4.01Å; W37-M54 HydrophobicContact CD2-CE 3.64Å; W37-M54 HydrophobicContact CE3-CE 4.25Å; W37-M54 HydrophobicContact CG-CB 4.42Å; W37-M54 HydrophobicContact CG-CE 3.65Å; W37-M54 HydrophobicContact CG-CG 3.86Å; W37-M54 HydrophobicContact CG-SD 4.43Å; W37-M54 HydrophobicContact CZ2-CE 4.42Å; W37-H87 AromaticContact CZ2-CD2 3.68Å; W37-H87 AromaticContact CZ2-NE2 3.67Å; W37-P92 HydrophobicContact CE3-CB 4.18Å; W37-P92 HydrophobicContact CE3-CG 4.46Å; W37-P92 HydrophobicContact CH2-CB 3.92Å; W37-P92 HydrophobicContact CH2-CG 3.66Å; W37-P92 HydrophobicContact CZ2-CB 4.46Å; W37-P92 HydrophobicContact CZ3-CB 3.77Å; W37-P92 HydrophobicContact CZ3-CG 3.6Å; W37-W390 HydrophobicContact CE3-CZ2 4.11Å
38T89.5Confident94Very high78 Ų7886.2 Ų86.248%0.47944%0.438SS..Hα-helixtrans-66-34.1172.5-540000111.3Q34 L35 T40 R41Q34-T38 WeakPolarHBondContact O-CB 3.45Å; Q34-T38 PolarHBondContact O-N 3.26Å; Q34-T38 PolarHBondContact O-OG1 3.01Å; L35-T38 PolarHBondContact O-N 3.01Å; T38-T40 PolarHBondContact O-N 3.25Å; T38-R41 WeakPolarHBondContact O-CB 3.43Å; T38-R41 PolarHBondContact O-N 2.82Å
39A92.9Very high94Very high77 Ų7783.9 Ų83.964%0.63642%0.423SS*.Hα-helixtrans-67.4-19.6175.700000113.7L35 R36 W37 R41L35-A39 WeakPolarHBondContact O-CB 3.18Å; L35-A39 PolarHBondContact O-N 2.78Å; R36-A39 PolarHBondContact O-N 3.15Å; W37-A39 VanDerWaalsContact C-N 3.27Å; W37-A39 PolarHBondContact O-N 3.26Å; A39-R41 PolarHBondContact O-N 2.84Å
40T93.1Very high94.1Very high50 Ų5082.1 Ų82.131%0.30741%0.41SS..THydrogen-bonded Turntrans-77.7-3.3174.169.40000114W37 T38 P387 W390W37-T40 HydrophobicContact CE3-CG2 3.93Å; W37-T40 HydrophobicContact CZ3-CG2 4.29Å; W37-T40 PolarHBondContact O-N 3.32Å; W37-T40 PolarHBondContact O-OG1 2.91Å; T38-T40 PolarHBondContact O-N 3.25Å; T40-P387 WeakPolarHBondContact O-CB 3.47Å; T40-W390 VanDerWaalsContact OG1-CZ2 3.24Å; T40-W390 WeakPolarHBondContact OG1-CZ2 3.27Å; T40-W390 PolarHBondContact OG1-NE1 3.28Å; T40-W390 VanDerWaalsContact OG1-NE1 3.13Å
41R94.4Very high94.3Very high99 Ų9986.6 Ų86.637%0.37443%0.429SS..SBendtrans-58.9136.3172.3-176.8-174.1173.9-144-3.7110.1T38 A39 K43 C45 L47 M49 Q385T38-R41 WeakPolarHBondContact O-CB 3.43Å; T38-R41 PolarHBondContact O-N 2.82Å; A39-R41 PolarHBondContact O-N 2.84Å; R41-K43 PolarHBondContact O-N 2.9Å; R41-C45 PolarHBondContact NH2-O 3.24Å; R41-L47 PolarHBondContact NH2-O 2.94Å; R41-M49 HydrophobicContact CB-CG 3.94Å; R41-M49 HydrophobicContact CB-SD 3.99Å; R41-M49 HydrophobicContact CG-CG 3.92Å; R41-M49 HydrophobicContact CG-SD 4.12Å; R41-Q385 VanDerWaalsContact CG-NE2 3.29Å
42D95.9Very high94.4Very high44 Ų4481.3 Ų81.324%0.23541%0.409CS..  trans-71.4113.9168.3-170.1-19.1000109.9N44 C45 T378 Q385D42-N44 VanDerWaalsContact C-N 3.26Å; D42-N44 PolarHBondContact O-N 3.46Å; D42-N44 WeakPolarHBondContact OD1-CB 3.41Å; D42-N44 PolarHBondContact OD1-N 2.93Å; D42-C45 HydrophobicContact CB-CB 4.08Å; D42-C45 PolarHBondContact O-N 3.25Å; D42-T378 HydrophobicContact CB-CG2 3.81Å; D42-T378 WeakPolarHBondContact CB-OG1 3.34Å; D42-T378 WeakPolarHBondContact OD2-CB 3.2Å; D42-T378 PolarHBondContact OD2-OG1 3.33Å; D42-Q385 VanDerWaalsContact CB-OE1 3.3Å; D42-Q385 PolarHBondContact O-NE2 2.56Å
43K94.6Very high94.4Very high188 Ų18877.7 Ų77.782%0.81739%0.393SS*.THydrogen-bonded Turntrans-70.6-22.4-179.3-63.1-177.9-178.1178.10112.7R41 C45R41-K43 PolarHBondContact O-N 2.9Å; K43-C45 VanDerWaalsContact C-N 3.29Å
44N95.8Very high94.4Very high154 Ų15476.9 Ų76.982%0.82439%0.39SS*.THydrogen-bonded Turntrans-80.5-16.1177-61.4-33000111.6D42D42-N44 VanDerWaalsContact C-N 3.26Å; D42-N44 PolarHBondContact O-N 3.46Å; D42-N44 WeakPolarHBondContact OD1-CB 3.41Å; D42-N44 PolarHBondContact OD1-N 2.93Å
45C94.9Very high94.6Very high25 Ų2574.3 Ų74.317%0.16938%0.38CS..  trans-93.6118.7176.5-169.90000111.3R41 D42 K43 L47 T378 Q385R41-C45 PolarHBondContact NH2-O 3.24Å; D42-C45 HydrophobicContact CB-CB 4.08Å; D42-C45 PolarHBondContact O-N 3.25Å; K43-C45 VanDerWaalsContact C-N 3.29Å; C45-L47 PolarHBondContact O-N 3.45Å; C45-T378 HydrophobicContact CB-CG2 4.11Å; C45-Q385 HydrophobicContact CB-CB 4.32Å; C45-Q385 PolarHBondContact O-NE2 3.2Å
46K95.5Very high94.6Very high206 Ų20675 Ų7590%0.89638%0.379SS*.  trans-67.3-22.1179.2-65-175.7-179.3179.60113.3
47L97.2Very high94.4Very high45 Ų4569 Ų6924%0.23636%0.36CS..SBendtrans-66.3150.5-179-59.2176.4000111.8R41 C45 E380 Q385R41-L47 PolarHBondContact NH2-O 2.94Å; C45-L47 PolarHBondContact O-N 3.45Å; L47-E380 HydrophobicContact CD1-CB 3.65Å; L47-E380 HydrophobicContact CD1-CG 3.47Å; L47-E380 VanDerWaalsContact CD1-CG 3.47Å; L47-Q385 HydrophobicContact CB-CB 4.18Å; L47-Q385 PolarHBondContact O-NE2 3.19Å
48P95.6Very high94.1Very high74 Ų7475.9 Ų75.948%0.48139%0.391SS..PPolyproline II helixtrans-74.7160.9175.231.4-34.2000111.6V384 Q385P48-V384 HydrophobicContact CG-CG1 4.31Å; P48-V384 WeakPolarHBondContact O-CA 3.43Å; P48-V384 WeakPolarHBondContact O-CB 3.38Å; P48-Q385 WeakPolarHBondContact O-CG 3.37Å; P48-Q385 PolarHBondContact O-N 3.26Å
49M94.9Very high94.1Very high29 Ų2976.7 Ų76.714%0.14339%0.391CS..PPolyproline II helixtrans-64.5153.7168.3-74.6-67-71.800110.8R41 K51 Q385 P387 W390R41-M49 HydrophobicContact CB-CG 3.94Å; R41-M49 HydrophobicContact CB-SD 3.99Å; R41-M49 HydrophobicContact CG-CG 3.92Å; R41-M49 HydrophobicContact CG-SD 4.12Å; M49-K51 PolarHBondContact O-N 3.48Å; M49-Q385 HydrophobicContact SD-CG 4.03Å; M49-P387 HydrophobicContact CE-CG 3.75Å; M49-P387 HydrophobicContact SD-CG 3.41Å; M49-P387 WeakPolarHBondContact SD-CG 3.26Å; M49-W390 HydrophobicContact CE-CH2 3.91Å; M49-W390 HydrophobicContact CE-CZ2 3.52Å
50P96.3Very high94.2Very high2 Ų273.1 Ų73.11%0.01336%0.362CS..PPolyproline II helixtrans-59.1141.4174.4-21.835.7000110.3V83 K85 I94 V384 Q385 I386P50-V83 HydrophobicContact CB-CG1 4.43Å; P50-V83 HydrophobicContact CG-CG1 4.49Å; P50-K85 HydrophobicContact CB-CB 4.38Å; P50-K85 WeakPolarHBondContact O-CD 3.43Å; P50-K85 WeakPolarHBondContact O-CE 3.47Å; P50-K85 WeakPolarHBondContact O-CG 3.4Å; P50-I94 HydrophobicContact CB-CD1 4.32Å; P50-I94 HydrophobicContact CG-CD1 3.87Å; P50-V384 HydrophobicContact CB-CG2 4.02Å; P50-V384 HydrophobicContact CG-CB 4.21Å; P50-V384 HydrophobicContact CG-CG2 3.78Å; P50-Q385 WeakPolarHBondContact CD-O 3.45Å; P50-Q385 WeakPolarHBondContact CG-O 3.44Å; P50-I386 HydrophobicContact CG-CD1 4.07Å
51K96.7Very high94.3Very high149 Ų14971.1 Ų71.165%0.64835%0.349SS*.PPolyproline II helixtrans-61.9155.4171-66.3-179.5-178.1175.60109.4M49 Y80 F84 K85M49-K51 PolarHBondContact O-N 3.48Å; K51-Y80 HydrophobicContact CB-CD1 3.98Å; K51-Y80 HydrophobicContact CB-CG 4.32Å; K51-F84 CarbonylContact O-C 3.5Å; K51-F84 WeakPolarHBondContact O-CA 3.39Å; K51-F84 VanDerWaalsContact O-CB 3.27Å; K51-F84 WeakPolarHBondContact O-CB 3.3Å; K51-K85 PolarHBondContact O-N 3.33Å
52G95.9Very high94.1Very high20 Ų2067.1 Ų67.121%0.20634%0.336CS..BIsolated β-bridgetrans141.8178.8177.900000113.9K85G52-K85 VanDerWaalsContact CA-O 3.3Å; G52-K85 WeakPolarHBondContact CA-O 3.44Å
53S94.9Very high93.8Very high33 Ų3368.2 Ų68.223%0.23135%0.346CS..  trans-116.2130.6-175.7179.80000110.9G55 E61 K85 T86S53-G55 PolarHBondContact O-N 3.44Å; S53-G55 PolarHBondContact OG-N 3Å; S53-G55 VanDerWaalsContact OG-N 3.1Å; S53-E61 VanDerWaalsContact O-OE2 3.12Å; S53-K85 PolarHBondContact N-O 3.1Å; S53-T86 VanDerWaalsContact O-CA 3.3Å; S53-T86 WeakPolarHBondContact O-CA 3.06Å
54M95.1Very high93.6Very high0 Ų063.3 Ų63.30%033%0.326CS..  trans-84.14.7170.9-57.6-54.1-70.100112.4W33 W37 G60 K85 H87 P92 W390W33-M54 PolarHBondContact NE1-O 2.86Å; W37-M54 HydrophobicContact CB-CE 4.36Å; W37-M54 HydrophobicContact CB-CG 4.01Å; W37-M54 HydrophobicContact CD2-CE 3.64Å; W37-M54 HydrophobicContact CE3-CE 4.25Å; W37-M54 HydrophobicContact CG-CB 4.42Å; W37-M54 HydrophobicContact CG-CE 3.65Å; W37-M54 HydrophobicContact CG-CG 3.86Å; W37-M54 HydrophobicContact CG-SD 4.43Å; W37-M54 HydrophobicContact CZ2-CE 4.42Å; M54-G60 WeakPolarHBondContact O-CA 3.32Å; M54-K85 HydrophobicContact SD-CB 4.29Å; M54-K85 HydrophobicContact SD-CD 3.88Å; M54-K85 HydrophobicContact SD-CG 4.07Å; M54-H87 HydrophobicContact CE-CB 3.89Å; M54-H87 WeakPolarHBondContact O-CB 3.3Å; M54-P92 HydrophobicContact CE-CB 3.79Å; M54-W390 HydrophobicContact CE-CH2 3.85Å; M54-W390 HydrophobicContact CE-CZ3 4.18Å; M54-W390 HydrophobicContact SD-CH2 4.02Å; M54-W390 HydrophobicContact SD-CZ3 4.35Å
55G94Very high93.3Very high9 Ų957.9 Ų57.99%0.09329%0.294CS..  trans58.3-150.7-179.800000114Q30 W33 S53Q30-G55 PolarHBondContact NE2-O 3.49Å; W33-G55 PolarHBondContact NE1-O 3.19Å; S53-G55 PolarHBondContact O-N 3.44Å; S53-G55 PolarHBondContact OG-N 3Å; S53-G55 VanDerWaalsContact OG-N 3.1Å
56F92.7Very high92.9Very high119 Ų11962.3 Ų62.352%0.52232%0.315SS..BIsolated β-bridgetrans-77.5155.6175.3-72.7-76.7000111.4F58 G60F56-F58 PolarHBondContact O-N 3.37Å; F56-G60 PolarHBondContact N-O 2.97Å; F56-G60 VanDerWaalsContact O-CA 3.25Å; F56-G60 WeakPolarHBondContact O-CA 3.41Å; F56-G60 PolarHBondContact O-N 3.36Å
57P91.3Very high92.4Very high27 Ų2759.9 Ų59.918%0.17531%0.311CS..THydrogen-bonded Turntrans-52.8135.8175.6-24.634.4000112W33 I59W33-P57 HydrophobicContact CB-CG 4.05Å; W33-P57 HydrophobicContact CD2-CB 4.17Å; W33-P57 HydrophobicContact CD2-CG 4.49Å; W33-P57 HydrophobicContact CE3-CB 4.14Å; W33-P57 HydrophobicContact CG-CB 4.38Å; W33-P57 HydrophobicContact CG-CG 4.18Å; P57-I59 PolarHBondContact O-N 2.91Å
58F84.6Confident91.9Very high165 Ų16562.1 Ų62.172%0.72432%0.32SS*.THydrogen-bonded Turntrans65.3-48.6-179-50.4-80000116.1W33 F56 H87W33-F58 VanDerWaalsContact CH2-N 3.33Å; F56-F58 PolarHBondContact O-N 3.37Å; F58-H87 PolarHBondContact O-CE1 2.89Å
59I89.4Confident91.2Very high95 Ų9560.1 Ų60.149%0.48731%0.313SS..THydrogen-bonded Turntrans-76.9-31.8-177.8-61.5172.9000111P57 T62P57-I59 PolarHBondContact O-N 2.91Å; I59-T62 VanDerWaalsContact O-CB 3.26Å; I59-T62 WeakPolarHBondContact O-CB 3.41Å; I59-T62 PolarHBondContact O-N 3.49Å; I59-T62 PolarHBondContact O-OG1 3.25Å
60G94.6Very high90.2Very high2 Ų261.5 Ų61.52%0.02133%0.326CS..BIsolated β-bridgetrans63-132.7-176.800000112.8M54 F56 H87M54-G60 WeakPolarHBondContact O-CA 3.32Å; F56-G60 PolarHBondContact N-O 2.97Å; F56-G60 VanDerWaalsContact O-CA 3.25Å; F56-G60 WeakPolarHBondContact O-CA 3.41Å; F56-G60 PolarHBondContact O-N 3.36Å; G60-H87 CarbonylContact C-O 3.56Å; G60-H87 WeakPolarHBondContact CA-O 3.37Å
61E95.1Very high89.7Confident8 Ų863 Ų634%0.03734%0.342CS..THydrogen-bonded Turntrans-9911.6175.6-62-166.596.500112.6S53 C63 H64 W65 F72 R76 T86 H87 L88S53-E61 VanDerWaalsContact O-OE2 3.12Å; E61-C63 PolarHBondContact O-N 3.03Å; E61-H64 WeakPolarHBondContact O-CB 3.3Å; E61-H64 PolarHBondContact O-N 2.74Å; E61-W65 PolarHBondContact O-N 3.13Å; E61-F72 HydrophobicContact CB-CE2 3.81Å; E61-F72 HydrophobicContact CB-CZ 3.68Å; E61-F72 HydrophobicContact CG-CZ 4.42Å; E61-R76 IonicContact OE1-CZ 3.44Å; E61-R76 IonicContact OE1-NE 3.25Å; E61-R76 PolarHBondContact OE1-NE 2.81Å; E61-R76 VanDerWaalsContact OE1-NE 3.1Å; E61-R76 IonicContact OE1-NH2 2.64Å; E61-R76 PolarHBondContact OE1-NH2 2.79Å; E61-R76 IonicContact OE2-NE 3.19Å; E61-T86 WeakPolarHBondContact OE2-CB 3.45Å; E61-T86 PolarHBondContact OE2-OG1 2.94Å; E61-H87 PolarHBondContact N-O 2.87Å; E61-L88 HydrophobicContact CB-CD2 4.16Å
62T91.3Very high89.5Confident16 Ų1655.9 Ų55.910%0.09831%0.311CS..Hα-helixtrans-55.2-44-172.5-53.40000113.3I59 H64 W65 L66 L89I59-T62 VanDerWaalsContact O-CB 3.26Å; I59-T62 WeakPolarHBondContact O-CB 3.41Å; I59-T62 PolarHBondContact O-N 3.49Å; I59-T62 PolarHBondContact O-OG1 3.25Å; T62-H64 PolarHBondContact O-N 2.93Å; T62-W65 WeakPolarHBondContact O-CB 3.3Å; T62-W65 PolarHBondContact O-N 2.93Å; T62-L66 HydrophobicContact CG2-CD1 4.2Å; T62-L66 HydrophobicContact CG2-CG 4.44Å; T62-L66 WeakPolarHBondContact O-CG 3.36Å; T62-L66 PolarHBondContact O-N 2.85Å; T62-L89 HydrophobicContact CG2-CD2 3.69Å; T62-L89 HydrophobicContact CG2-CG 4.38Å; T62-L89 PolarHBondContact OG1-N 3.41Å
63C89.2Confident89.2Confident67 Ų6755.6 Ų55.645%0.45330%0.304SS..Hα-helixtrans-64.4-40.4178.6-58.20000112.2E61 W65 L66 L67E61-C63 PolarHBondContact O-N 3.03Å; C63-W65 VanDerWaalsContact C-N 3.29Å; C63-W65 PolarHBondContact O-N 2.98Å; C63-L66 PolarHBondContact O-N 3.13Å; C63-L67 WeakPolarHBondContact O-CB 3.45Å; C63-L67 VanDerWaalsContact O-CG 3.28Å; C63-L67 WeakPolarHBondContact O-CG 3.24Å; C63-L67 PolarHBondContact O-N 2.78Å
64H90.6Very high89Confident84 Ų8456.1 Ų56.139%0.38931%0.311SS..Hα-helixtrans-63.4-39.8175.8-67.788000111E61 T62 L67 Q68 F72E61-H64 WeakPolarHBondContact O-CB 3.3Å; E61-H64 PolarHBondContact O-N 2.74Å; T62-H64 PolarHBondContact O-N 2.93Å; H64-L67 PolarHBondContact O-N 3.08Å; H64-Q68 VanDerWaalsContact O-CB 3.28Å; H64-Q68 WeakPolarHBondContact O-CB 3.34Å; H64-Q68 WeakPolarHBondContact O-CG 3.47Å; H64-Q68 PolarHBondContact O-N 3.41Å; H64-F72 HydrophobicContact CB-CD2 4.04Å; H64-F72 HydrophobicContact CB-CE2 3.92Å
65W90Very high88.9Confident41 Ų4158.3 Ų58.316%0.15533%0.326CS..Hα-helixtrans-65-44.4176.2173.872000112.3E61 T62 C63 L67 G69 F72 H73 L88 L89 V477E61-W65 PolarHBondContact O-N 3.13Å; T62-W65 WeakPolarHBondContact O-CB 3.3Å; T62-W65 PolarHBondContact O-N 2.93Å; C63-W65 VanDerWaalsContact C-N 3.29Å; C63-W65 PolarHBondContact O-N 2.98Å; W65-L67 VanDerWaalsContact C-N 3.35Å; W65-L67 PolarHBondContact O-N 2.95Å; W65-G69 WeakPolarHBondContact O-CA 3.37Å; W65-G69 PolarHBondContact O-N 2.96Å; W65-F72 HydrophobicContact CB-CD1 4.09Å; W65-F72 HydrophobicContact CB-CD2 4.04Å; W65-F72 HydrophobicContact CB-CE1 4.29Å; W65-F72 HydrophobicContact CB-CE2 4.22Å; W65-F72 HydrophobicContact CB-CG 3.97Å; W65-F72 HydrophobicContact CB-CZ 4.35Å; W65-F72 AromaticContact CD1-CD1 3.63Å; W65-F72 AromaticContact CD1-CG 3.96Å; W65-F72 HydrophobicContact CG-CD1 4.25Å; W65-F72 HydrophobicContact CG-CG 4.41Å; W65-H73 AromaticContact CD1-CE1 3.76Å; W65-H73 AromaticContact CD1-NE2 3.6Å; W65-H73 AromaticContact NE1-CE1 3.73Å; W65-H73 AromaticContact NE1-NE2 3.21Å; W65-H73 PolarHBondContact NE1-NE2 3.26Å; W65-L88 HydrophobicContact CB-CD2 3.68Å; W65-L88 HydrophobicContact CG-CD1 4.24Å; W65-L88 HydrophobicContact CG-CD2 4.06Å; W65-L89 HydrophobicContact CZ3-CD1 4.4Å; W65-L89 HydrophobicContact CZ3-CD2 4.26Å; W65-L89 HydrophobicContact CZ3-CG 4.46Å; W65-V477 HydrophobicContact CZ2-CG1 4.4Å
66L85.2Confident89Confident117 Ų11759.4 Ų59.461%0.61333%0.327SS*.Hα-helixtrans-63.1-39.2176.5-70.6173.1000112.4T62 C63T62-L66 HydrophobicContact CG2-CD1 4.2Å; T62-L66 HydrophobicContact CG2-CG 4.44Å; T62-L66 WeakPolarHBondContact O-CG 3.36Å; T62-L66 PolarHBondContact O-N 2.85Å; C63-L66 PolarHBondContact O-N 3.13Å
67L86.6Confident89Confident155 Ų15555.3 Ų55.381%0.81231%0.308SS*.Hα-helixtrans-75.8-42.6-179.8-69.2170.5000112.9C63 H64 W65C63-L67 WeakPolarHBondContact O-CB 3.45Å; C63-L67 VanDerWaalsContact O-CG 3.28Å; C63-L67 WeakPolarHBondContact O-CG 3.24Å; C63-L67 PolarHBondContact O-N 2.78Å; H64-L67 PolarHBondContact O-N 3.08Å; W65-L67 VanDerWaalsContact C-N 3.35Å; W65-L67 PolarHBondContact O-N 2.95Å
68Q85.3Confident89.2Confident92 Ų9262.5 Ų62.543%0.4334%0.339SS..Hα-helixtrans-88.6-15-175.7-66.6-175.4-13.400113.7H64 S70 G71 F72 R76H64-Q68 VanDerWaalsContact O-CB 3.28Å; H64-Q68 WeakPolarHBondContact O-CB 3.34Å; H64-Q68 WeakPolarHBondContact O-CG 3.47Å; H64-Q68 PolarHBondContact O-N 3.41Å; Q68-S70 PolarHBondContact O-N 3.27Å; Q68-G71 PolarHBondContact O-N 3.34Å; Q68-G71 VanDerWaalsContact O-N 3.11Å; Q68-F72 HydrophobicContact CB-CB 3.98Å; Q68-R76 VanDerWaalsContact OE1-NH1 3.15Å
69G81.8Confident89.7Confident32 Ų3261.8 Ų61.833%0.3334%0.336SS..THydrogen-bonded Turntrans54.8-129.1-178.900000112.6W65 G71 F72W65-G69 WeakPolarHBondContact O-CA 3.37Å; W65-G69 PolarHBondContact O-N 2.96Å; G69-G71 PolarHBondContact O-N 3Å; G69-F72 VanDerWaalsContact O-CB 3.28Å; G69-F72 WeakPolarHBondContact O-CB 3.43Å; G69-F72 PolarHBondContact O-N 2.87Å
70S74Confident90Very high58 Ų5859.7 Ų59.741%0.40632%0.323SS..Hα-helixtrans-60.9-30.917953.70000113.4Q68 F72 H73Q68-S70 PolarHBondContact O-N 3.27Å; S70-F72 PolarHBondContact O-N 3.16Å; S70-H73 PolarHBondContact O-N 3.1Å
71G85.7Confident90.1Very high34 Ų3461.1 Ų61.135%0.35134%0.337SS..Hα-helixtrans-63.7-23.7178.400000113.7Q68 G69 H73 S75Q68-G71 PolarHBondContact O-N 3.34Å; Q68-G71 VanDerWaalsContact O-N 3.11Å; G69-G71 PolarHBondContact O-N 3Å; G71-H73 PolarHBondContact O-N 2.84Å; G71-S75 WeakPolarHBondContact O-CB 3.46Å; G71-S75 PolarHBondContact O-N 2.67Å; G71-S75 PolarHBondContact O-OG 3.28Å
72F91.3Very high90.1Very high0 Ų063.6 Ų63.60%035%0.35CS..Hα-helixtrans-58.9-48.7176.3177.1-94.3000111.9E61 H64 W65 Q68 G69 S70 S75 R76 L88E61-F72 HydrophobicContact CB-CE2 3.81Å; E61-F72 HydrophobicContact CB-CZ 3.68Å; E61-F72 HydrophobicContact CG-CZ 4.42Å; H64-F72 HydrophobicContact CB-CD2 4.04Å; H64-F72 HydrophobicContact CB-CE2 3.92Å; W65-F72 HydrophobicContact CB-CD1 4.09Å; W65-F72 HydrophobicContact CB-CD2 4.04Å; W65-F72 HydrophobicContact CB-CE1 4.29Å; W65-F72 HydrophobicContact CB-CE2 4.22Å; W65-F72 HydrophobicContact CB-CG 3.97Å; W65-F72 HydrophobicContact CB-CZ 4.35Å; W65-F72 AromaticContact CD1-CD1 3.63Å; W65-F72 AromaticContact CD1-CG 3.96Å; W65-F72 HydrophobicContact CG-CD1 4.25Å; W65-F72 HydrophobicContact CG-CG 4.41Å; Q68-F72 HydrophobicContact CB-CB 3.98Å; G69-F72 VanDerWaalsContact O-CB 3.28Å; G69-F72 WeakPolarHBondContact O-CB 3.43Å; G69-F72 PolarHBondContact O-N 2.87Å; S70-F72 PolarHBondContact O-N 3.16Å; F72-S75 PolarHBondContact O-OG 2.94Å; F72-S75 VanDerWaalsContact O-OG 3.08Å; F72-R76 VanDerWaalsContact CE2-NE 3.32Å; F72-R76 HydrophobicContact CZ-CG 4.5Å; F72-R76 WeakPolarHBondContact O-CD 3.48Å; F72-R76 PolarHBondContact O-N 2.86Å; F72-L88 HydrophobicContact CE1-CD1 4.29Å; F72-L88 HydrophobicContact CE1-CD2 4.27Å; F72-L88 HydrophobicContact CZ-CD2 4.16Å
73H91Very high90.4Very high13 Ų1363.1 Ų63.16%0.0635%0.348CS..Hα-helixtrans-71.6-38.9-176-64.2-53.9000111.7W65 S70 G71 R76 R77 R95W65-H73 AromaticContact CD1-CE1 3.76Å; W65-H73 AromaticContact CD1-NE2 3.6Å; W65-H73 AromaticContact NE1-CE1 3.73Å; W65-H73 AromaticContact NE1-NE2 3.21Å; W65-H73 PolarHBondContact NE1-NE2 3.26Å; S70-H73 PolarHBondContact O-N 3.1Å; G71-H73 PolarHBondContact O-N 2.84Å; H73-R76 PolarHBondContact O-N 2.98Å; H73-R77 VanDerWaalsContact O-CB 3.32Å; H73-R77 WeakPolarHBondContact O-CB 3.43Å; H73-R77 PolarHBondContact O-N 2.9Å; H73-R95 PolarHBondContact CD2-NH2 3.08Å; H73-R95 PolarHBondContact CE1-NE 3.49Å; H73-R95 VanDerWaalsContact CE1-NE 3.28Å; H73-R95 PolarHBondContact ND1-NE 3.03Å; H73-R95 VanDerWaalsContact ND1-NE 3.16Å
74A90.1Very high90.8Very high45 Ų4560 Ų6037%0.37233%0.327SS..Hα-helixtrans-61.1-46.6176.100000111.5R76 R77 Q78A74-R76 PolarHBondContact O-N 3.22Å; A74-R77 PolarHBondContact O-N 3.03Å; A74-Q78 PolarHBondContact O-N 3Å
75S93.5Very high91.1Very high45 Ų4557 Ų5732%0.31531%0.312SS..Hα-helixtrans-65.6-38.3-179.2690000112.9G71 F72 K79G71-S75 WeakPolarHBondContact O-CB 3.46Å; G71-S75 PolarHBondContact O-N 2.67Å; G71-S75 PolarHBondContact O-OG 3.28Å; F72-S75 PolarHBondContact O-OG 2.94Å; F72-S75 VanDerWaalsContact O-OG 3.08Å; S75-K79 WeakPolarHBondContact O-CB 3.35Å; S75-K79 PolarHBondContact O-N 3.3Å; S75-K79 VanDerWaalsContact O-N 3.15Å
76R95.3Very high91.4Very high32 Ų3255 Ų5512%0.12131%0.305CS..Hα-helixtrans-69.5-38.7174.4-88.273.5-175.5164.2-6.5112E61 Q68 F72 H73 A74 K79 Y80 F84E61-R76 IonicContact OE1-CZ 3.44Å; E61-R76 IonicContact OE1-NE 3.25Å; E61-R76 PolarHBondContact OE1-NE 2.81Å; E61-R76 VanDerWaalsContact OE1-NE 3.1Å; E61-R76 IonicContact OE1-NH2 2.64Å; E61-R76 PolarHBondContact OE1-NH2 2.79Å; E61-R76 IonicContact OE2-NE 3.19Å; Q68-R76 VanDerWaalsContact OE1-NH1 3.15Å; F72-R76 VanDerWaalsContact CE2-NE 3.32Å; F72-R76 HydrophobicContact CZ-CG 4.5Å; F72-R76 WeakPolarHBondContact O-CD 3.48Å; F72-R76 PolarHBondContact O-N 2.86Å; H73-R76 PolarHBondContact O-N 2.98Å; A74-R76 PolarHBondContact O-N 3.22Å; R76-K79 PolarHBondContact O-N 2.8Å; R76-Y80 HydrophobicContact CB-CD2 4.05Å; R76-Y80 HydrophobicContact CB-CE2 4.45Å; R76-Y80 HydrophobicContact CG-CD2 3.98Å; R76-Y80 HydrophobicContact CG-CE2 3.89Å; R76-Y80 WeakPolarHBondContact O-CB 3.4Å; R76-Y80 WeakPolarHBondContact O-CD2 3.31Å; R76-Y80 PolarHBondContact O-N 3.32Å; R76-F84 HydrophobicContact CB-CD1 4.42Å; R76-F84 HydrophobicContact CB-CD2 3.99Å; R76-F84 HydrophobicContact CB-CE1 3.97Å; R76-F84 HydrophobicContact CB-CE2 3.5Å; R76-F84 HydrophobicContact CB-CG 4.42Å; R76-F84 HydrophobicContact CB-CZ 3.48Å; R76-F84 VanDerWaalsContact CB-CZ 3.48Å; R76-F84 HydrophobicContact CG-CD2 4.38Å; R76-F84 HydrophobicContact CG-CE2 3.96Å; R76-F84 HydrophobicContact CG-CZ 4.38Å
77R94.1Very high91.9Very high34 Ų3449.6 Ų49.613%0.12828%0.276CS..Hα-helixtrans-61.9-46.5175.9-168.5-166-42.414210.7111.2H73 A74 K79 Y80 G81 F84 D398H73-R77 VanDerWaalsContact O-CB 3.32Å; H73-R77 WeakPolarHBondContact O-CB 3.43Å; H73-R77 PolarHBondContact O-N 2.9Å; A74-R77 PolarHBondContact O-N 3.03Å; R77-K79 VanDerWaalsContact C-N 3.25Å; R77-K79 PolarHBondContact O-N 2.97Å; R77-Y80 PolarHBondContact O-N 3.11Å; R77-G81 WeakPolarHBondContact CA-O 3.42Å; R77-G81 CarbonylContact O-C 3.57Å; R77-G81 VanDerWaalsContact O-CA 3.25Å; R77-G81 WeakPolarHBondContact O-CA 3.44Å; R77-G81 PolarHBondContact O-N 3.48Å; R77-F84 HydrophobicContact CB-CE1 4.45Å; R77-D398 IonicContact NH2-OD1 3.25Å; R77-D398 PolarHBondContact NH2-OD1 2.95Å; R77-D398 IonicContact NH2-OD2 2.74Å; R77-D398 PolarHBondContact NH2-OD2 3.44Å
78Q93.8Very high92.1Very high177 Ų17742.8 Ų42.883%0.82724%0.241SC*.Hα-helixtrans-59.6-37.5176.5-170.9-179.212.400111.9A74A74-Q78 PolarHBondContact O-N 3Å
79K96.2Very high92.1Very high151 Ų15143.9 Ų43.966%0.65725%0.249SC*.Hα-helixtrans-80.9-38.6-178.6-171.6174.7178-177.20114.2S75 R76 R77S75-K79 WeakPolarHBondContact O-CB 3.35Å; S75-K79 PolarHBondContact O-N 3.3Å; S75-K79 VanDerWaalsContact O-N 3.15Å; R76-K79 PolarHBondContact O-N 2.8Å; R77-K79 VanDerWaalsContact C-N 3.25Å; R77-K79 PolarHBondContact O-N 2.97Å
80Y96.4Very high92.3Very high51 Ų5144.7 Ų44.720%0.226%0.257CS..Hα-helixtrans-115.7-11.4-167-57.9-51.1000114.1K51 R76 R77 F84K51-Y80 HydrophobicContact CB-CD1 3.98Å; K51-Y80 HydrophobicContact CB-CG 4.32Å; R76-Y80 HydrophobicContact CB-CD2 4.05Å; R76-Y80 HydrophobicContact CB-CE2 4.45Å; R76-Y80 HydrophobicContact CG-CD2 3.98Å; R76-Y80 HydrophobicContact CG-CE2 3.89Å; R76-Y80 WeakPolarHBondContact O-CB 3.4Å; R76-Y80 WeakPolarHBondContact O-CD2 3.31Å; R76-Y80 PolarHBondContact O-N 3.32Å; R77-Y80 PolarHBondContact O-N 3.11Å; Y80-F84 HydrophobicContact CD2-CB 4.34Å; Y80-F84 HydrophobicContact CG-CB 4.36Å
81G95.1Very high92.9Very high32 Ų3248.3 Ų48.333%0.3326%0.262SS..  trans94.7-171.1-176.100000113.4R77 V83R77-G81 WeakPolarHBondContact CA-O 3.42Å; R77-G81 CarbonylContact O-C 3.57Å; R77-G81 VanDerWaalsContact O-CA 3.25Å; R77-G81 WeakPolarHBondContact O-CA 3.44Å; R77-G81 PolarHBondContact O-N 3.48Å; G81-V83 VanDerWaalsContact C-N 3.27Å; G81-V83 PolarHBondContact O-N 2.81Å
82N95.8Very high93.2Very high59 Ų5948 Ų4832%0.31625%0.253SS..SBendtrans-72.1-19.1-173.3-71.4-31.1000114.4T97N82-T97 VanDerWaalsContact CA-OG1 3.28Å; N82-T97 WeakPolarHBondContact CA-OG1 3.45Å; N82-T97 WeakPolarHBondContact CB-OG1 3.45Å; N82-T97 PolarHBondContact O-N 3.28Å; N82-T97 PolarHBondContact O-OG1 2.89Å; N82-T97 PolarHBondContact OD1-OG1 2.88Å
83V97.8Very high93.4Very high7 Ų748.2 Ų48.24%0.04226%0.255CS..EExtended strand (participates in β ladder)trans-126.3109.3-180-177.20000108.6P50 G81 I94 R95 L381 D382 V384 I386P50-V83 HydrophobicContact CB-CG1 4.43Å; P50-V83 HydrophobicContact CG-CG1 4.49Å; G81-V83 VanDerWaalsContact C-N 3.27Å; G81-V83 PolarHBondContact O-N 2.81Å; V83-I94 HydrophobicContact CG1-CG2 3.85Å; V83-R95 WeakPolarHBondContact CA-O 3.39Å; V83-L381 HydrophobicContact CG1-CB 4.17Å; V83-L381 HydrophobicContact CG2-CB 3.91Å; V83-D382 HydrophobicContact CB-CB 4.48Å; V83-D382 HydrophobicContact CG2-CB 3.98Å; V83-V384 HydrophobicContact CB-CG2 4.26Å; V83-V384 HydrophobicContact CG1-CG2 3.71Å; V83-I386 HydrophobicContact CG1-CD1 3.92Å
84F97.5Very high93.7Very high2 Ų247.6 Ų47.61%0.00925%0.252CS..EExtended strand (participates in β ladder)trans-141.6149.9-178.169.9-94.4000112.6K51 R76 R77 Y80 T86 I94 R95K51-F84 CarbonylContact O-C 3.5Å; K51-F84 WeakPolarHBondContact O-CA 3.39Å; K51-F84 VanDerWaalsContact O-CB 3.27Å; K51-F84 WeakPolarHBondContact O-CB 3.3Å; R76-F84 HydrophobicContact CB-CD1 4.42Å; R76-F84 HydrophobicContact CB-CD2 3.99Å; R76-F84 HydrophobicContact CB-CE1 3.97Å; R76-F84 HydrophobicContact CB-CE2 3.5Å; R76-F84 HydrophobicContact CB-CG 4.42Å; R76-F84 HydrophobicContact CB-CZ 3.48Å; R76-F84 VanDerWaalsContact CB-CZ 3.48Å; R76-F84 HydrophobicContact CG-CD2 4.38Å; R76-F84 HydrophobicContact CG-CE2 3.96Å; R76-F84 HydrophobicContact CG-CZ 4.38Å; R77-F84 HydrophobicContact CB-CE1 4.45Å; Y80-F84 HydrophobicContact CD2-CB 4.34Å; Y80-F84 HydrophobicContact CG-CB 4.36Å; F84-T86 HydrophobicContact CE2-CG2 4.35Å; F84-I94 CarbonylContact O-C 3.59Å; F84-I94 WeakPolarHBondContact O-CA 3.36Å; F84-R95 HydrophobicContact CD1-CB 4.07Å; F84-R95 HydrophobicContact CD2-CB 4.28Å; F84-R95 HydrophobicContact CE1-CB 3.58Å; F84-R95 HydrophobicContact CE1-CG 4.33Å; F84-R95 HydrophobicContact CE2-CB 3.81Å; F84-R95 HydrophobicContact CE2-CG 3.86Å; F84-R95 HydrophobicContact CG-CB 4.4Å; F84-R95 HydrophobicContact CZ-CB 3.44Å; F84-R95 VanDerWaalsContact CZ-CB 3.44Å; F84-R95 HydrophobicContact CZ-CG 3.67Å; F84-R95 PolarHBondContact N-O 3.48Å; F84-R95 VanDerWaalsContact N-O 3.13Å; F84-R95 PolarHBondContact O-N 3.27Å
85K97.1Very high94Very high19 Ų1945.7 Ų45.78%0.08324%0.235CC..EExtended strand (participates in β ladder)trans-89.2144.3174.768.5178.2-179.8157.50111.9P50 K51 G52 S53 M54 L93 I94 W390P50-K85 HydrophobicContact CB-CB 4.38Å; P50-K85 WeakPolarHBondContact O-CD 3.43Å; P50-K85 WeakPolarHBondContact O-CE 3.47Å; P50-K85 WeakPolarHBondContact O-CG 3.4Å; K51-K85 PolarHBondContact O-N 3.33Å; G52-K85 VanDerWaalsContact CA-O 3.3Å; G52-K85 WeakPolarHBondContact CA-O 3.44Å; S53-K85 PolarHBondContact N-O 3.1Å; M54-K85 HydrophobicContact SD-CB 4.29Å; M54-K85 HydrophobicContact SD-CD 3.88Å; M54-K85 HydrophobicContact SD-CG 4.07Å; K85-L93 CarbonylContact C-O 3.46Å; K85-L93 WeakPolarHBondContact CA-O 3.36Å; K85-I94 HydrophobicContact CB-CD1 3.48Å; K85-I94 VanDerWaalsContact CB-CD1 3.48Å; K85-W390 HydrophobicContact CB-CH2 4.37Å; K85-W390 HydrophobicContact CB-CZ3 3.92Å; K85-W390 HydrophobicContact CD-CH2 4.26Å
86T96.3Very high94.2Very high0 Ų043.5 Ų43.50%022%0.22CC..EExtended strand (participates in β ladder)trans-146.8178.4169.6-172.10000110S53 E61 F84 L88 L93 R95S53-T86 VanDerWaalsContact O-CA 3.3Å; S53-T86 WeakPolarHBondContact O-CA 3.06Å; E61-T86 WeakPolarHBondContact OE2-CB 3.45Å; E61-T86 PolarHBondContact OE2-OG1 2.94Å; F84-T86 HydrophobicContact CE2-CG2 4.35Å; T86-L88 HydrophobicContact CG2-CD1 4.02Å; T86-L88 HydrophobicContact CG2-CG 3.91Å; T86-L93 HydrophobicContact CG2-CB 4.07Å; T86-L93 HydrophobicContact CG2-CD2 4.22Å; T86-L93 HydrophobicContact CG2-CG 4.42Å; T86-L93 PolarHBondContact N-O 2.87Å; T86-L93 PolarHBondContact O-N 3.47Å; T86-R95 HydrophobicContact CG2-CG 4.38Å
87H94.9Very high94.3Very high4 Ų442 Ų422%0.01922%0.215CC..EExtended strand (participates in β ladder)trans-132.2111.2173.4-169.1-81.7000108.7W33 W37 M54 F58 G60 E61 R91W33-H87 AromaticContact CH2-CD2 3.98Å; W33-H87 AromaticContact CH2-CE1 3.87Å; W33-H87 AromaticContact CH2-NE2 3.51Å; W33-H87 AromaticContact CZ2-CD2 3.63Å; W33-H87 AromaticContact CZ2-CE1 3.86Å; W33-H87 AromaticContact CZ2-CG 3.89Å; W33-H87 AromaticContact CZ2-NE2 3.62Å; W37-H87 AromaticContact CZ2-CD2 3.68Å; W37-H87 AromaticContact CZ2-NE2 3.67Å; M54-H87 HydrophobicContact CE-CB 3.89Å; M54-H87 WeakPolarHBondContact O-CB 3.3Å; F58-H87 PolarHBondContact O-CE1 2.89Å; G60-H87 CarbonylContact C-O 3.56Å; G60-H87 WeakPolarHBondContact CA-O 3.37Å; E61-H87 PolarHBondContact N-O 2.87Å; H87-R91 CarbonylContact C-O 2.93Å; H87-R91 WeakPolarHBondContact CA-O 3.48Å; H87-R91 VanDerWaalsContact CD2-C 3.46Å; H87-R91 PolarHBondContact CE1-N 2.89Å
88L91Very high94.3Very high11 Ų1141 Ų416%0.05822%0.215CC..EExtended strand (participates in β ladder)trans-128.2139.7-175.8-63.5179.4000109.4E61 W65 F72 T86 G90 R91 L93E61-L88 HydrophobicContact CB-CD2 4.16Å; W65-L88 HydrophobicContact CB-CD2 3.68Å; W65-L88 HydrophobicContact CG-CD1 4.24Å; W65-L88 HydrophobicContact CG-CD2 4.06Å; F72-L88 HydrophobicContact CE1-CD1 4.29Å; F72-L88 HydrophobicContact CE1-CD2 4.27Å; F72-L88 HydrophobicContact CZ-CD2 4.16Å; T86-L88 HydrophobicContact CG2-CD1 4.02Å; T86-L88 HydrophobicContact CG2-CG 3.91Å; L88-G90 PolarHBondContact O-N 2.88Å; L88-G90 VanDerWaalsContact O-N 3.17Å; L88-R91 PolarHBondContact N-O 3.27Å; L88-R91 PolarHBondContact O-N 2.87Å; L88-L93 HydrophobicContact CD1-CD2 3.99Å
89L86Confident94.3Very high115 Ų11533.2 Ų33.260%0.60218%0.18SC*.THydrogen-bonded Turntrans51.640.7175.9-56.2172.4000113T62 W65 R91T62-L89 HydrophobicContact CG2-CD2 3.69Å; T62-L89 HydrophobicContact CG2-CG 4.38Å; T62-L89 PolarHBondContact OG1-N 3.41Å; W65-L89 HydrophobicContact CZ3-CD1 4.4Å; W65-L89 HydrophobicContact CZ3-CD2 4.26Å; W65-L89 HydrophobicContact CZ3-CG 4.46Å; L89-R91 VanDerWaalsContact C-N 3.32Å; L89-R91 PolarHBondContact O-N 3.35Å
90G85Confident94.3Very high49 Ų4930.9 Ų30.951%0.50517%0.172SC..THydrogen-bonded Turntrans79.36.317800000115.5L88L88-G90 PolarHBondContact O-N 2.88Å; L88-G90 VanDerWaalsContact O-N 3.17Å
91R86.9Confident94.3Very high135 Ų13528.9 Ų28.951%0.50917%0.165SC..EExtended strand (participates in β ladder)trans-127.7143.9-177.2-64.3-174175.9-165.4-1.5113.1H87 L88 L89 D116H87-R91 CarbonylContact C-O 2.93Å; H87-R91 WeakPolarHBondContact CA-O 3.48Å; H87-R91 VanDerWaalsContact CD2-C 3.46Å; H87-R91 PolarHBondContact CE1-N 2.89Å; L88-R91 PolarHBondContact N-O 3.27Å; L88-R91 PolarHBondContact O-N 2.87Å; L89-R91 VanDerWaalsContact C-N 3.32Å; L89-R91 PolarHBondContact O-N 3.35Å; R91-D116 IonicContact NH1-OD1 3.5Å; R91-D116 IonicContact NH1-OD2 2.75Å
92P92.4Very high94.4Very high26 Ų2627.4 Ų27.417%0.16915%0.149CC..EExtended strand (participates in β ladder)trans-68.8135.6168.332.3-36.1000109.8W37 M54 W390 S391W37-P92 HydrophobicContact CE3-CB 4.18Å; W37-P92 HydrophobicContact CE3-CG 4.46Å; W37-P92 HydrophobicContact CH2-CB 3.92Å; W37-P92 HydrophobicContact CH2-CG 3.66Å; W37-P92 HydrophobicContact CZ2-CB 4.46Å; W37-P92 HydrophobicContact CZ3-CB 3.77Å; W37-P92 HydrophobicContact CZ3-CG 3.6Å; M54-P92 HydrophobicContact CE-CB 3.79Å; P92-W390 HydrophobicContact CB-CD2 4.2Å; P92-W390 HydrophobicContact CB-CE3 3.83Å; P92-W390 HydrophobicContact CB-CH2 4.07Å; P92-W390 HydrophobicContact CB-CZ2 4.41Å; P92-W390 HydrophobicContact CB-CZ3 3.76Å; P92-S391 WeakPolarHBondContact O-CB 3.27Å
93L95Very high94.4Very high6 Ų627.2 Ų27.23%0.03114%0.144CC..EExtended strand (participates in β ladder)trans-137.9131.8-174.6-178.166.2000110.7K85 T86 L88 R95 Y372 S391 M393K85-L93 CarbonylContact C-O 3.46Å; K85-L93 WeakPolarHBondContact CA-O 3.36Å; T86-L93 HydrophobicContact CG2-CB 4.07Å; T86-L93 HydrophobicContact CG2-CD2 4.22Å; T86-L93 HydrophobicContact CG2-CG 4.42Å; T86-L93 PolarHBondContact N-O 2.87Å; T86-L93 PolarHBondContact O-N 3.47Å; L88-L93 HydrophobicContact CD1-CD2 3.99Å; L93-R95 HydrophobicContact CD2-CG 4.22Å; L93-Y372 HydrophobicContact CD1-CD1 3.88Å; L93-Y372 HydrophobicContact CD1-CE1 3.86Å; L93-Y372 HydrophobicContact CD2-CE1 4.08Å; L93-S391 CarbonylContact C-O 3.46Å; L93-S391 WeakPolarHBondContact CA-O 3.36Å; L93-M393 HydrophobicContact CD1-CB 3.72Å; L93-M393 HydrophobicContact CD2-CB 4.18Å; L93-M393 HydrophobicContact CD2-SD 4.4Å; L93-M393 HydrophobicContact CG-CB 4.3Å
94I97.6Very high94.4Very high0 Ų030.5 Ų30.50%016%0.157CC..EExtended strand (participates in β ladder)trans-96.2120.9163.1-52.6-54000109P50 V83 F84 K85 V96 I386 W390 S391 V392 M393P50-I94 HydrophobicContact CB-CD1 4.32Å; P50-I94 HydrophobicContact CG-CD1 3.87Å; V83-I94 HydrophobicContact CG1-CG2 3.85Å; F84-I94 CarbonylContact O-C 3.59Å; F84-I94 WeakPolarHBondContact O-CA 3.36Å; K85-I94 HydrophobicContact CB-CD1 3.48Å; K85-I94 VanDerWaalsContact CB-CD1 3.48Å; I94-V96 HydrophobicContact CG2-CG2 3.96Å; I94-I386 HydrophobicContact CG1-CD1 4.32Å; I94-I386 HydrophobicContact CG1-CG2 4.41Å; I94-I386 HydrophobicContact CG2-CD1 3.86Å; I94-W390 HydrophobicContact CD1-CD2 4.36Å; I94-W390 HydrophobicContact CD1-CE3 3.38Å; I94-W390 HydrophobicContact CD1-CZ3 3.52Å; I94-W390 HydrophobicContact CG1-CE3 3.74Å; I94-W390 HydrophobicContact CG1-CZ3 4.37Å; I94-S391 PolarHBondContact N-O 3.49Å; I94-V392 HydrophobicContact CB-CG2 4.49Å; I94-V392 CarbonylContact O-C 3.51Å; I94-V392 WeakPolarHBondContact O-CA 3.23Å; I94-M393 PolarHBondContact O-N 2.76Å
95R96.8Very high94.5Very high4 Ų430.4 Ų30.42%0.01516%0.157CC..EExtended strand (participates in β ladder)trans-86.7132.1169.1-72-71-86120.20.9108.9H73 V83 F84 T86 L93 M393 D398H73-R95 PolarHBondContact CD2-NH2 3.08Å; H73-R95 PolarHBondContact CE1-NE 3.49Å; H73-R95 VanDerWaalsContact CE1-NE 3.28Å; H73-R95 PolarHBondContact ND1-NE 3.03Å; H73-R95 VanDerWaalsContact ND1-NE 3.16Å; V83-R95 WeakPolarHBondContact CA-O 3.39Å; F84-R95 HydrophobicContact CD1-CB 4.07Å; F84-R95 HydrophobicContact CD2-CB 4.28Å; F84-R95 HydrophobicContact CE1-CB 3.58Å; F84-R95 HydrophobicContact CE1-CG 4.33Å; F84-R95 HydrophobicContact CE2-CB 3.81Å; F84-R95 HydrophobicContact CE2-CG 3.86Å; F84-R95 HydrophobicContact CG-CB 4.4Å; F84-R95 HydrophobicContact CZ-CB 3.44Å; F84-R95 VanDerWaalsContact CZ-CB 3.44Å; F84-R95 HydrophobicContact CZ-CG 3.67Å; F84-R95 PolarHBondContact N-O 3.48Å; F84-R95 VanDerWaalsContact N-O 3.13Å; F84-R95 PolarHBondContact O-N 3.27Å; T86-R95 HydrophobicContact CG2-CG 4.38Å; L93-R95 HydrophobicContact CD2-CG 4.22Å; R95-M393 WeakPolarHBondContact CD-SD 3.26Å; R95-M393 PolarHBondContact NH1-O 3.24Å; R95-D398 IonicContact CZ-OD2 3.72Å; R95-D398 IonicContact NH2-OD2 3.63Å; R95-D398 PolarHBondContact NH2-OD2 2.94Å
96V97.8Very high94.5Very high0 Ų029.6 Ų29.60%015%0.154CC..EExtended strand (participates in β ladder)trans-126.1129-177-179.60000109.6I94 N101 V102 V105 L381 V392 M393 Y394 S395I94-V96 HydrophobicContact CG2-CG2 3.96Å; V96-N101 HydrophobicContact CG1-CB 3.49Å; V96-N101 VanDerWaalsContact CG1-CB 3.49Å; V96-V102 HydrophobicContact CG1-CG2 4.31Å; V96-V105 HydrophobicContact CG1-CG2 4.25Å; V96-L381 HydrophobicContact CB-CD1 4.47Å; V96-L381 HydrophobicContact CG1-CD1 3.94Å; V96-L381 HydrophobicContact CG2-CD1 3.62Å; V96-V392 HydrophobicContact CB-CG1 4.43Å; V96-V392 HydrophobicContact CG2-CG1 3.57Å; V96-M393 PolarHBondContact N-O 2.74Å; V96-Y394 CarbonylContact O-C 3.54Å; V96-Y394 VanDerWaalsContact O-CA 3.3Å; V96-Y394 WeakPolarHBondContact O-CA 3.35Å; V96-S395 PolarHBondContact O-N 2.77Å
97T96.3Very high94.5Very high1 Ų134.9 Ų34.91%0.00618%0.18CC..  trans-138.7165.9178.759.90000110N82 N101 D398N82-T97 VanDerWaalsContact CA-OG1 3.28Å; N82-T97 WeakPolarHBondContact CA-OG1 3.45Å; N82-T97 WeakPolarHBondContact CB-OG1 3.45Å; N82-T97 PolarHBondContact O-N 3.28Å; N82-T97 PolarHBondContact O-OG1 2.89Å; N82-T97 PolarHBondContact OD1-OG1 2.88Å; T97-N101 PolarHBondContact O-ND2 2.69Å; T97-N101 VanDerWaalsContact O-ND2 3.16Å; T97-D398 HydrophobicContact CG2-CB 3.55Å
98G94.8Very high94.6Very high13 Ų1334.9 Ų34.913%0.13418%0.181CC..SBendtrans89.8139.5-179.800000112.4E100 N101 V102 T399G98-E100 VanDerWaalsContact C-N 3.34Å; G98-E100 PolarHBondContact O-N 2.92Å; G98-N101 PolarHBondContact O-N 2.87Å; G98-V102 WeakPolarHBondContact O-CB 3.32Å; G98-V102 WeakPolarHBondContact O-CG2 3.29Å; G98-V102 PolarHBondContact O-N 3.31Å; G98-T399 PolarHBondContact N-OG1 2.81Å
99A94.3Very high94.9Very high12 Ų1234.8 Ų34.810%0.09918%0.18CC..Hα-helixtrans-54.9-45.7-167.300000113.3R103 T399 F429 H430A99-R103 WeakPolarHBondContact O-CB 3.47Å; A99-R103 PolarHBondContact O-N 3.41Å; A99-T399 HydrophobicContact CB-CG2 4.43Å; A99-F429 HydrophobicContact CB-CB 4.14Å; A99-F429 WeakPolarHBondContact CB-O 3.3Å; A99-H430 WeakPolarHBondContact CB-ND1 3.27Å
100E94.9Very high95.3Very high103 Ų10331.6 Ų31.648%0.48116%0.162SC..Hα-helixtrans-69.6-42.1-176.9-17653.3-154.600112.8G98 R103 K104G98-E100 VanDerWaalsContact C-N 3.34Å; G98-E100 PolarHBondContact O-N 2.92Å; E100-R103 WeakPolarHBondContact O-CB 3.46Å; E100-R103 PolarHBondContact O-N 3.32Å; E100-R103 IonicContact OE1-CZ 3.24Å; E100-R103 IonicContact OE1-NE 2.79Å; E100-R103 PolarHBondContact OE1-NE 2.94Å; E100-R103 IonicContact OE1-NH2 2.75Å; E100-R103 PolarHBondContact OE1-NH2 3.25Å; E100-R103 IonicContact OE2-CZ 3.82Å; E100-R103 IonicContact OE2-NE 3.5Å; E100-R103 PolarHBondContact OE2-NE 2.66Å; E100-R103 IonicContact OE2-NH2 3.92Å; E100-R103 PolarHBondContact OE2-NH2 3.09Å; E100-K104 PolarHBondContact O-N 2.85Å
101N97Very high95.8Very high9 Ų933.2 Ų33.25%0.04816%0.162CC..Hα-helixtrans-66.3-46.7176.8-67-48.2000111.7V96 T97 G98 R103 K104 V105 L381 D382V96-N101 HydrophobicContact CG1-CB 3.49Å; V96-N101 VanDerWaalsContact CG1-CB 3.49Å; T97-N101 PolarHBondContact O-ND2 2.69Å; T97-N101 VanDerWaalsContact O-ND2 3.16Å; G98-N101 PolarHBondContact O-N 2.87Å; N101-R103 VanDerWaalsContact C-N 3.31Å; N101-R103 PolarHBondContact O-N 2.7Å; N101-K104 PolarHBondContact O-N 3.3Å; N101-V105 WeakPolarHBondContact O-CG2 3.49Å; N101-V105 PolarHBondContact O-N 2.9Å; N101-L381 HydrophobicContact CB-CD2 4.14Å; N101-D382 PolarHBondContact ND2-OD1 2.99Å; N101-D382 VanDerWaalsContact ND2-OD1 3.1Å; N101-D382 PolarHBondContact ND2-OD2 3.01Å; N101-D382 PolarHBondContact OD1-N 2.89Å; N101-D382 PolarHBondContact OD1-OD1 3.48Å; N101-D382 VanDerWaalsContact OD1-OD1 3.07Å
102V97.5Very high96.3Very high0 Ų028.2 Ų28.20%015%0.145CC..Hα-helixtrans-64.6-39178.8176.40000110.4V96 G98 K104 V105 L106 Y394 T399 L432V96-V102 HydrophobicContact CG1-CG2 4.31Å; G98-V102 WeakPolarHBondContact O-CB 3.32Å; G98-V102 WeakPolarHBondContact O-CG2 3.29Å; G98-V102 PolarHBondContact O-N 3.31Å; V102-K104 PolarHBondContact O-N 2.86Å; V102-V105 PolarHBondContact O-N 3.33Å; V102-L106 HydrophobicContact CG1-CD1 3.57Å; V102-L106 HydrophobicContact CG1-CG 4.11Å; V102-L106 WeakPolarHBondContact O-CB 3.35Å; V102-L106 VanDerWaalsContact O-CG 3.27Å; V102-L106 WeakPolarHBondContact O-CG 3.35Å; V102-L106 PolarHBondContact O-N 2.74Å; V102-Y394 HydrophobicContact CG1-CD2 3.9Å; V102-Y394 HydrophobicContact CG1-CG 4.31Å; V102-T399 WeakPolarHBondContact CG2-OG1 3.32Å; V102-L432 HydrophobicContact CB-CD1 4.47Å; V102-L432 HydrophobicContact CG1-CD1 3.62Å
103R96.4Very high96.6Very high56 Ų5627 Ų2721%0.21114%0.137CC..Hα-helixtrans-56.9-49.2171.4-177.7-176.382.275.90.5111.4A99 E100 N101 V105 L106 M107 F429A99-R103 WeakPolarHBondContact O-CB 3.47Å; A99-R103 PolarHBondContact O-N 3.41Å; E100-R103 WeakPolarHBondContact O-CB 3.46Å; E100-R103 PolarHBondContact O-N 3.32Å; E100-R103 IonicContact OE1-CZ 3.24Å; E100-R103 IonicContact OE1-NE 2.79Å; E100-R103 PolarHBondContact OE1-NE 2.94Å; E100-R103 IonicContact OE1-NH2 2.75Å; E100-R103 PolarHBondContact OE1-NH2 3.25Å; E100-R103 IonicContact OE2-CZ 3.82Å; E100-R103 IonicContact OE2-NE 3.5Å; E100-R103 PolarHBondContact OE2-NE 2.66Å; E100-R103 IonicContact OE2-NH2 3.92Å; E100-R103 PolarHBondContact OE2-NH2 3.09Å; N101-R103 VanDerWaalsContact C-N 3.31Å; N101-R103 PolarHBondContact O-N 2.7Å; R103-V105 VanDerWaalsContact C-N 3.34Å; R103-V105 PolarHBondContact O-N 3.1Å; R103-L106 PolarHBondContact O-N 2.91Å; R103-M107 HydrophobicContact CG-CG 4Å; R103-M107 VanDerWaalsContact O-CB 3.27Å; R103-M107 WeakPolarHBondContact O-CB 3.36Å; R103-M107 WeakPolarHBondContact O-CG 3.33Å; R103-M107 PolarHBondContact O-N 2.9Å; R103-F429 HydrophobicContact CB-CB 4.16Å; R103-F429 HydrophobicContact CB-CD1 3.88Å; R103-F429 HydrophobicContact CB-CD2 3.89Å; R103-F429 HydrophobicContact CB-CE1 4.22Å; R103-F429 HydrophobicContact CB-CE2 4.25Å; R103-F429 HydrophobicContact CB-CG 3.72Å; R103-F429 HydrophobicContact CB-CZ 4.4Å; R103-F429 HydrophobicContact CG-CD1 4.26Å; R103-F429 HydrophobicContact CG-CD2 3.6Å; R103-F429 HydrophobicContact CG-CE1 4.24Å; R103-F429 HydrophobicContact CG-CE2 3.59Å; R103-F429 HydrophobicContact CG-CG 3.98Å; R103-F429 HydrophobicContact CG-CZ 3.92Å
104K97.8Very high96.6Very high75 Ų7528 Ų2833%0.32614%0.144SC..Hα-helixtrans-60.8-42.1-179.9-172.3168.1-179-179.10112E100 N101 V102 G108 L112 E380 L381E100-K104 PolarHBondContact O-N 2.85Å; N101-K104 PolarHBondContact O-N 3.3Å; V102-K104 PolarHBondContact O-N 2.86Å; K104-G108 PolarHBondContact O-N 2.61Å; K104-L112 HydrophobicContact CG-CD1 4.1Å; K104-E380 VanDerWaalsContact CE-O 3.24Å; K104-E380 WeakPolarHBondContact CE-O 3.35Å; K104-E380 PolarHBondContact NZ-O 3.28Å; K104-L381 HydrophobicContact CB-CD2 4.03Å; K104-L381 HydrophobicContact CD-CD2 3.88Å; K104-L381 HydrophobicContact CG-CD2 4.19Å
105V98.2Very high96.5Very high0 Ų029.1 Ų29.10%015%0.151CC..Hα-helixtrans-63.6-49.9175.4174.30000111.2V96 N101 V102 R103 G108 V113 R373 F379 L381 V392 Y394V96-V105 HydrophobicContact CG1-CG2 4.25Å; N101-V105 WeakPolarHBondContact O-CG2 3.49Å; N101-V105 PolarHBondContact O-N 2.9Å; V102-V105 PolarHBondContact O-N 3.33Å; R103-V105 VanDerWaalsContact C-N 3.34Å; R103-V105 PolarHBondContact O-N 3.1Å; V105-G108 PolarHBondContact O-N 2.8Å; V105-V113 HydrophobicContact CG1-CG1 4.47Å; V105-V113 HydrophobicContact CG1-CG2 4.17Å; V105-V113 VanDerWaalsContact O-CG2 3.23Å; V105-V113 WeakPolarHBondContact O-CG2 3.32Å; V105-R373 HydrophobicContact CG1-CG 4.22Å; V105-F379 HydrophobicContact CG2-CE2 4.44Å; V105-L381 HydrophobicContact CG2-CD1 3.94Å; V105-L381 HydrophobicContact CG2-CD2 4.43Å; V105-V392 HydrophobicContact CG1-CG1 4.38Å; V105-V392 HydrophobicContact CG2-CG1 4.19Å; V105-Y394 HydrophobicContact CG1-CD1 3.99Å
106L97.6Very high96.2Very high2 Ų230.4 Ų30.41%0.0116%0.158CC..Hα-helixtrans-68.1-38.5-176.3-71.8173.2000113.4V102 R103 G108 Y394 F429 L432V102-L106 HydrophobicContact CG1-CD1 3.57Å; V102-L106 HydrophobicContact CG1-CG 4.11Å; V102-L106 WeakPolarHBondContact O-CB 3.35Å; V102-L106 VanDerWaalsContact O-CG 3.27Å; V102-L106 WeakPolarHBondContact O-CG 3.35Å; V102-L106 PolarHBondContact O-N 2.74Å; R103-L106 PolarHBondContact O-N 2.91Å; L106-G108 VanDerWaalsContact C-N 3.29Å; L106-Y394 HydrophobicContact CD1-CE2 4.49Å; L106-Y394 HydrophobicContact CD2-CD1 4.35Å; L106-Y394 HydrophobicContact CD2-CD2 4.38Å; L106-Y394 HydrophobicContact CD2-CE1 3.77Å; L106-Y394 HydrophobicContact CD2-CE2 3.82Å; L106-Y394 VanDerWaalsContact CD2-CZ 3.47Å; L106-Y394 HydrophobicContact CG-CE2 4.44Å; L106-F429 HydrophobicContact CB-CE1 4.19Å; L106-F429 HydrophobicContact CD1-CD1 4.06Å; L106-F429 HydrophobicContact CD1-CE1 3.75Å; L106-L432 HydrophobicContact CD1-CD1 4.08Å
107M97.3Very high95.8Very high111 Ų11134.2 Ų34.255%0.54717%0.172SC..Hα-helixtrans-75.8-20.7176.2-62.8-61.7-73.500112.1R103 E109 F429R103-M107 HydrophobicContact CG-CG 4Å; R103-M107 VanDerWaalsContact O-CB 3.27Å; R103-M107 WeakPolarHBondContact O-CB 3.36Å; R103-M107 WeakPolarHBondContact O-CG 3.33Å; R103-M107 PolarHBondContact O-N 2.9Å; M107-E109 VanDerWaalsContact C-N 3.32Å; M107-F429 HydrophobicContact CG-CZ 4.28Å; M107-F429 HydrophobicContact SD-CZ 4.11Å
108G96.9Very high95.5Very high4 Ų436.2 Ų36.24%0.04119%0.185CC..THydrogen-bonded Turntrans-858.3176.800000114.9K104 V105 L106 H110 T111 L112 V113K104-G108 PolarHBondContact O-N 2.61Å; V105-G108 PolarHBondContact O-N 2.8Å; L106-G108 VanDerWaalsContact C-N 3.29Å; G108-H110 PolarHBondContact O-N 2.81Å; G108-T111 PolarHBondContact O-N 3.39Å; G108-T111 VanDerWaalsContact O-N 3.11Å; G108-T111 PolarHBondContact O-OG1 2.64Å; G108-L112 PolarHBondContact O-N 3.27Å; G108-V113 PolarHBondContact O-N 3.11Å
109E97Very high95.3Very high9 Ų941.3 Ų41.34%0.04221%0.206CC..BIsolated β-bridgetrans-59.1137.4175.4-176.481.9-173.600111.2M107 T111 V113 V115 R373 V438 R439M107-E109 VanDerWaalsContact C-N 3.32Å; E109-T111 PolarHBondContact O-N 3.21Å; E109-V113 CarbonylContact C-O 3.5Å; E109-V113 WeakPolarHBondContact CA-O 3.16Å; E109-V115 PolarHBondContact OE1-N 3.48Å; E109-R373 WeakPolarHBondContact OE2-CD 2.96Å; E109-R373 IonicContact OE2-CZ 3.98Å; E109-R373 IonicContact OE2-NE 3.88Å; E109-R373 PolarHBondContact OE2-NE 3.18Å; E109-R373 IonicContact OE2-NH2 3.1Å; E109-V438 HydrophobicContact CB-CG2 3.63Å; E109-V438 HydrophobicContact CG-CG2 3.56Å; E109-R439 HydrophobicContact CG-CG 3.7Å; E109-R439 IonicContact OE1-CZ 2.88Å; E109-R439 IonicContact OE1-NE 3.61Å; E109-R439 PolarHBondContact OE1-NE 3.19Å; E109-R439 IonicContact OE1-NH2 3.54Å; E109-R439 PolarHBondContact OE1-NH2 3.02Å
110H94.1Very high95.3Very high49 Ų4940.9 Ų40.923%0.22720%0.202CC..THydrogen-bonded Turntrans68.44-173.9-48.6-57.5000115G108 V113 G135 H138G108-H110 PolarHBondContact O-N 2.81Å; H110-V113 PolarHBondContact N-O 3.04Å; H110-G135 PolarHBondContact CE1-N 3.29Å; H110-G135 PolarHBondContact ND1-N 3.25Å; H110-H138 AromaticContact NE2-ND1 3.43Å; H110-H138 PolarHBondContact NE2-ND1 2.91Å
111T95.3Very high95.2Very high83 Ų8336 Ų3651%0.50918%0.179SC..THydrogen-bonded Turntrans-130.3-65.2178.954.10000112.1G108 E109G108-T111 PolarHBondContact O-N 3.39Å; G108-T111 VanDerWaalsContact O-N 3.11Å; G108-T111 PolarHBondContact O-OG1 2.64Å; E109-T111 PolarHBondContact O-N 3.21Å
112L97.3Very high95Very high29 Ų2936.9 Ų36.915%0.15219%0.186CC..THydrogen-bonded Turntrans-82.8-38.7175.1-56.9-173.4000111.5K104 G108 M376 Q377 F379K104-L112 HydrophobicContact CG-CD1 4.1Å; G108-L112 PolarHBondContact O-N 3.27Å; L112-M376 PolarHBondContact O-N 3.2Å; L112-Q377 HydrophobicContact CD2-CG 4.34Å; L112-F379 HydrophobicContact CB-CD1 4.25Å; L112-F379 HydrophobicContact CB-CE1 4.46Å; L112-F379 HydrophobicContact CB-CG 4.42Å; L112-F379 HydrophobicContact CD1-CD2 4.19Å; L112-F379 HydrophobicContact CD1-CG 4.32Å; L112-F379 HydrophobicContact CD2-CB 4.21Å
113V97.9Very high94.8Very high0 Ų039.2 Ų39.20%020%0.2CC..EExtended strand (participates in β ladder)trans-139.5156.3-172.6-60.50000111.8V105 G108 E109 H110 R373 T374 F379V105-V113 HydrophobicContact CG1-CG1 4.47Å; V105-V113 HydrophobicContact CG1-CG2 4.17Å; V105-V113 VanDerWaalsContact O-CG2 3.23Å; V105-V113 WeakPolarHBondContact O-CG2 3.32Å; G108-V113 PolarHBondContact O-N 3.11Å; E109-V113 CarbonylContact C-O 3.5Å; E109-V113 WeakPolarHBondContact CA-O 3.16Å; H110-V113 PolarHBondContact N-O 3.04Å; V113-R373 HydrophobicContact CB-CB 3.96Å; V113-R373 HydrophobicContact CB-CG 4.33Å; V113-R373 HydrophobicContact CG1-CB 4.41Å; V113-R373 HydrophobicContact CG2-CB 4.28Å; V113-R373 HydrophobicContact CG2-CG 4.08Å; V113-T374 CarbonylContact C-O 3.55Å; V113-T374 VanDerWaalsContact CA-O 3.26Å; V113-T374 WeakPolarHBondContact CA-O 3.12Å; V113-F379 HydrophobicContact CG1-CE1 3.79Å; V113-F379 HydrophobicContact CG1-CZ 3.8Å
114T96.9Very high94.7Very high28 Ų2836.5 Ų36.517%0.17219%0.19CC..EExtended strand (participates in β ladder)trans-128.2152.3170.8-173.20000110.4D116 R373 T374 M376T114-D116 PolarHBondContact O-N 3.04Å; T114-R373 CarbonylContact O-C 3.59Å; T114-R373 WeakPolarHBondContact O-CA 3.49Å; T114-R373 VanDerWaalsContact O-CD 3.26Å; T114-R373 WeakPolarHBondContact O-CD 3.5Å; T114-T374 PolarHBondContact N-O 3.12Å; T114-T374 PolarHBondContact O-N 3.42Å; T114-M376 HydrophobicContact CG2-CG 4.01Å; T114-M376 HydrophobicContact CG2-SD 4.33Å
115V94.3Very high94.6Very high24 Ų2433 Ų3315%0.14518%0.175CC..EExtended strand (participates in β ladder)trans-49.9136.6172.672.60000111.6E109 W117 I134 R439E109-V115 PolarHBondContact OE1-N 3.48Å; V115-W117 HydrophobicContact CG2-CG 4.4Å; V115-I134 HydrophobicContact CG1-CG2 4.03Å; V115-R439 VanDerWaalsContact CG1-NH2 3.34Å
116D90.6Very high94.4Very high31 Ų3133 Ų3317%0.16618%0.175CC..  trans-12598.3176.7-17721.3000108.7R91 T114 Y372 S391R91-D116 IonicContact NH1-OD1 3.5Å; R91-D116 IonicContact NH1-OD2 2.75Å; T114-D116 PolarHBondContact O-N 3.04Å; D116-Y372 PolarHBondContact N-O 3.01Å; D116-S391 PolarHBondContact OD2-OG 2.87Å
117W89.9Confident94.2Very high80 Ų8037.6 Ų37.630%0.30321%0.205SC..  trans-99.5143.3172.3-76.2113.7000109.6V115 T121 S122 A131 F222V115-W117 HydrophobicContact CG2-CG 4.4Å; W117-T121 HydrophobicContact CD2-CG2 4.18Å; W117-T121 HydrophobicContact CE3-CG2 3.61Å; W117-T121 HydrophobicContact CZ3-CG2 4.03Å; W117-S122 VanDerWaalsContact CB-OG 3.32Å; W117-S122 WeakPolarHBondContact CB-OG 3.42Å; W117-A131 PolarHBondContact NE1-O 2.95Å; W117-F222 HydrophobicContact CZ3-CE1 4.5Å; W117-F222 HydrophobicContact CZ3-CZ 4.28Å
118P90.3Very high94Very high43 Ų4334.3 Ų34.328%0.27919%0.189SC..  trans-56144.4167.5-2435.3000111S120 T121 S122 F222P118-S120 PolarHBondContact O-N 3.12Å; P118-S120 VanDerWaalsContact O-N 3.15Å; P118-T121 WeakPolarHBondContact O-CB 3.2Å; P118-T121 PolarHBondContact O-N 2.8Å; P118-S122 PolarHBondContact O-N 2.72Å; P118-F222 HydrophobicContact CG-CD1 3.93Å; P118-F222 HydrophobicContact CG-CE1 4.14Å
119Q90.9Very high93.8Very high119 Ų11934.1 Ų34.156%0.55619%0.187SC*.Hα-helixtrans-54-39.3-179-176.662.544.200112.3S122 T123 P225Q119-S122 PolarHBondContact O-N 2.89Å; Q119-T123 PolarHBondContact NE2-OG1 3.15Å; Q119-T123 PolarHBondContact O-N 2.93Å; Q119-T123 PolarHBondContact O-OG1 3.08Å; Q119-P225 HydrophobicContact CB-CB 4.11Å; Q119-P225 HydrophobicContact CB-CG 4.29Å; Q119-P225 HydrophobicContact CG-CB 4.16Å
120S92.8Very high93.6Very high3 Ų334.4 Ų34.42%0.02119%0.189CC..Hα-helixtrans-59.7-47.4176.639.90000112P118 T123 L124 L221 S223P118-S120 PolarHBondContact O-N 3.12Å; P118-S120 VanDerWaalsContact O-N 3.15Å; S120-T123 PolarHBondContact O-N 3.05Å; S120-L124 VanDerWaalsContact O-CB 3.3Å; S120-L124 WeakPolarHBondContact O-CB 3.25Å; S120-L124 WeakPolarHBondContact O-CD1 3.17Å; S120-L124 WeakPolarHBondContact O-CG 3.21Å; S120-L124 PolarHBondContact O-N 3.46Å; S120-L221 CarbonylContact C-O 3.56Å; S120-L221 PolarHBondContact OG-O 3.31Å; S120-L221 VanDerWaalsContact OG-O 3.12Å; S120-S223 WeakPolarHBondContact CB-O 3.29Å; S120-S223 PolarHBondContact OG-O 3.45Å
121T92.9Very high93.6Very high0 Ų033 Ų330%019%0.186CC..Hα-helixtrans-61.9-46.9176.8-47.80000111.1W117 P118 T123 L124 L125 L221W117-T121 HydrophobicContact CD2-CG2 4.18Å; W117-T121 HydrophobicContact CE3-CG2 3.61Å; W117-T121 HydrophobicContact CZ3-CG2 4.03Å; P118-T121 WeakPolarHBondContact O-CB 3.2Å; P118-T121 PolarHBondContact O-N 2.8Å; T121-T123 PolarHBondContact O-N 3.1Å; T121-L124 PolarHBondContact O-N 2.81Å; T121-L125 HydrophobicContact CG2-CD1 3.93Å; T121-L125 HydrophobicContact CG2-CG 4.39Å; T121-L125 WeakPolarHBondContact O-CG 3.32Å; T121-L125 PolarHBondContact O-N 3.16Å; T121-L221 WeakPolarHBondContact CA-O 3.02Å; T121-L221 HydrophobicContact CG2-CD2 4.26Å; T121-L221 PolarHBondContact N-O 3.46Å; T121-L221 PolarHBondContact OG1-O 3.25Å
122S93.4Very high93.5Very high29 Ų2930.5 Ų30.520%0.20317%0.17CC..Hα-helixtrans-62.5-44.6-180-710000112.6W117 P118 Q119 G126 N132W117-S122 VanDerWaalsContact CB-OG 3.32Å; W117-S122 WeakPolarHBondContact CB-OG 3.42Å; P118-S122 PolarHBondContact O-N 2.72Å; Q119-S122 PolarHBondContact O-N 2.89Å; S122-G126 PolarHBondContact O-N 3.28Å; S122-N132 WeakPolarHBondContact CA-ND2 3.43Å; S122-N132 WeakPolarHBondContact CA-OD1 3.42Å; S122-N132 WeakPolarHBondContact CB-OD1 3.45Å; S122-N132 PolarHBondContact O-ND2 3.37Å; S122-N132 PolarHBondContact OG-OD1 2.89Å
123T93.5Very high93.3Very high48 Ų4829.4 Ų29.429%0.29417%0.165SC..Hα-helixtrans-63.1-43.3176.4-55.70000111.7Q119 S120 T121 G126 Y233Q119-T123 PolarHBondContact NE2-OG1 3.15Å; Q119-T123 PolarHBondContact O-N 2.93Å; Q119-T123 PolarHBondContact O-OG1 3.08Å; S120-T123 PolarHBondContact O-N 3.05Å; T121-T123 PolarHBondContact O-N 3.1Å; T123-G126 PolarHBondContact O-N 3.01Å; T123-Y233 WeakPolarHBondContact CB-OH 2.92Å; T123-Y233 VanDerWaalsContact CG2-OH 3.27Å; T123-Y233 WeakPolarHBondContact CG2-OH 3.36Å; T123-Y233 PolarHBondContact OG1-OH 3.07Å; T123-Y233 VanDerWaalsContact OG1-OH 3.13Å
124L94.8Very high93.1Very high0 Ų033.7 Ų33.70%019%0.187CC..Hα-helixtrans-69.5-40.3-175.7-74.4171.6000112.8S120 T121 G126 F217 N220 L221 G236 I237 R240S120-L124 VanDerWaalsContact O-CB 3.3Å; S120-L124 WeakPolarHBondContact O-CB 3.25Å; S120-L124 WeakPolarHBondContact O-CD1 3.17Å; S120-L124 WeakPolarHBondContact O-CG 3.21Å; S120-L124 PolarHBondContact O-N 3.46Å; T121-L124 PolarHBondContact O-N 2.81Å; L124-G126 VanDerWaalsContact C-N 3.29Å; L124-F217 HydrophobicContact CB-CE2 3.75Å; L124-F217 HydrophobicContact CB-CZ 4.15Å; L124-F217 HydrophobicContact CD2-CD2 4.46Å; L124-F217 HydrophobicContact CD2-CE2 4.24Å; L124-F217 HydrophobicContact CG-CE2 4.49Å; L124-F217 WeakPolarHBondContact O-CE2 3.47Å; L124-N220 WeakPolarHBondContact CD1-O 3.43Å; L124-L221 HydrophobicContact CB-CD2 3.68Å; L124-L221 HydrophobicContact CD1-CD2 3.97Å; L124-L221 HydrophobicContact CG-CD2 4.49Å; L124-G236 WeakPolarHBondContact CD2-O 3.46Å; L124-I237 HydrophobicContact CD2-CG1 4.11Å; L124-R240 HydrophobicContact CD2-CB 4.32Å; L124-R240 WeakPolarHBondContact O-CD 2.96Å; L124-R240 PolarHBondContact O-NE 3.48Å
125L94.6Very high92.9Very high1 Ų133.7 Ų33.71%0.00519%0.192CC..Hα-helixtrans-70.4-27.3173.4-67.6177.2000112.7T121 A131 F217 F295T121-L125 HydrophobicContact CG2-CD1 3.93Å; T121-L125 HydrophobicContact CG2-CG 4.39Å; T121-L125 WeakPolarHBondContact O-CG 3.32Å; T121-L125 PolarHBondContact O-N 3.16Å; L125-A131 HydrophobicContact CD1-CB 4.12Å; L125-F217 HydrophobicContact CD2-CE1 4.49Å; L125-F217 HydrophobicContact CD2-CZ 4.24Å; L125-F295 HydrophobicContact CD1-CD1 4.21Å; L125-F295 HydrophobicContact CD1-CE1 3.92Å; L125-F295 HydrophobicContact CD2-CB 4.16Å; L125-F295 HydrophobicContact CD2-CD1 3.53Å; L125-F295 HydrophobicContact CD2-CD2 4.4Å; L125-F295 HydrophobicContact CD2-CE1 3.99Å; L125-F295 HydrophobicContact CD2-CG 3.75Å
126G93.9Very high92.9Very high0 Ų037 Ų370%021%0.209CC..  trans89.6154.2179.300000113.5S122 T123 L124 N128 S129 N132S122-G126 PolarHBondContact O-N 3.28Å; T123-G126 PolarHBondContact O-N 3.01Å; L124-G126 VanDerWaalsContact C-N 3.29Å; G126-N128 VanDerWaalsContact C-N 3.25Å; G126-N128 PolarHBondContact O-N 2.87Å; G126-S129 PolarHBondContact O-N 3.5Å; G126-S129 PolarHBondContact O-OG 2.93Å; G126-N132 PolarHBondContact O-ND2 3.18Å
127P92.9Very high93Very high99 Ų9939.9 Ų39.964%0.64322%0.223SC*.THydrogen-bonded Turntrans-67.9-21.2-17228.1-35.9000113.8
128N93Very high93.3Very high41 Ų4136.2 Ų36.222%0.21921%0.209CC..THydrogen-bonded Turntrans-90.6-1.1-179.2-52.9-68.5000113.3G126 R141 E285 E288G126-N128 VanDerWaalsContact C-N 3.25Å; G126-N128 PolarHBondContact O-N 2.87Å; N128-R141 PolarHBondContact O-NE 3.21Å; N128-R141 PolarHBondContact O-NH1 3.47Å; N128-R141 PolarHBondContact OD1-NH2 2.87Å; N128-E285 HydrophobicContact CB-CG 3.88Å; N128-E288 WeakPolarHBondContact CA-OE2 3.21Å; N128-E288 HydrophobicContact CB-CB 4.5Å; N128-E288 WeakPolarHBondContact CB-OE2 3.17Å; N128-E288 PolarHBondContact N-OE2 2.89Å; N128-E288 PolarHBondContact ND2-OE2 3.28Å
129S93.5Very high93.5Very high0 Ų042.5 Ų42.50%023%0.227CC..SBendtrans-64.3144.7175.360.50000111.7G126 A131 N132 S133 E292G126-S129 PolarHBondContact O-N 3.5Å; G126-S129 PolarHBondContact O-OG 2.93Å; S129-A131 PolarHBondContact O-N 3.03Å; S129-N132 PolarHBondContact O-N 3.29Å; S129-N132 WeakPolarHBondContact OG-CB 3.36Å; S129-N132 PolarHBondContact OG-N 2.84Å; S129-N132 PolarHBondContact OG-ND2 2.86Å; S129-N132 VanDerWaalsContact OG-ND2 3.12Å; S129-S133 WeakPolarHBondContact O-CB 3.46Å; S129-S133 PolarHBondContact O-N 2.96Å; S129-S133 PolarHBondContact O-OG 3.37Å; S129-E292 VanDerWaalsContact CA-OE2 3.26Å; S129-E292 WeakPolarHBondContact CA-OE2 3.2Å; S129-E292 WeakPolarHBondContact CB-OE2 3.36Å
130L93.4Very high93.6Very high16 Ų1644.7 Ų44.78%0.08423%0.231CC..THydrogen-bonded Turntrans-60.8-35.7173.4-18065.9000111.1N132 S133 H138 R141 R142 F145 E292 R439 L442L130-N132 VanDerWaalsContact C-N 3.34Å; L130-N132 PolarHBondContact O-N 3.03Å; L130-S133 PolarHBondContact O-N 3.44Å; L130-H138 VanDerWaalsContact CD1-CD2 3.45Å; L130-H138 WeakPolarHBondContact CD1-CD2 3.34Å; L130-R141 HydrophobicContact CD1-CB 3.8Å; L130-R142 HydrophobicContact CD1-CB 3.88Å; L130-F145 HydrophobicContact CD2-CB 4.42Å; L130-F145 HydrophobicContact CD2-CG 4.37Å; L130-E292 WeakPolarHBondContact CA-OE1 3.47Å; L130-E292 VanDerWaalsContact CB-OE1 3.3Å; L130-E292 WeakPolarHBondContact CB-OE1 3.1Å; L130-E292 VanDerWaalsContact N-CD 3.3Å; L130-E292 PolarHBondContact N-OE1 3.45Å; L130-E292 VanDerWaalsContact N-OE1 3.11Å; L130-E292 PolarHBondContact N-OE2 3.48Å; L130-R439 PolarHBondContact O-NH1 3.39Å; L130-R439 VanDerWaalsContact O-NH1 3.08Å; L130-L442 HydrophobicContact CD2-CD2 4.17Å
131A92.6Very high93.6Very high19 Ų1946.3 Ų46.316%0.15724%0.236CC..THydrogen-bonded Turntrans-59.3-40.2176.200000113W117 L125 S129 E292W117-A131 PolarHBondContact NE1-O 2.95Å; L125-A131 HydrophobicContact CD1-CB 4.12Å; S129-A131 PolarHBondContact O-N 3.03Å; A131-E292 WeakPolarHBondContact CB-OE1 3.33Å; A131-E292 PolarHBondContact N-OE1 3.23Å
132N93.1Very high93.8Very high31 Ų3148.5 Ų48.517%0.16624%0.244CC..THydrogen-bonded Turntrans-86.6-21.6177.9-73.6-28.7000113.4S122 G126 S129 L130S122-N132 WeakPolarHBondContact CA-ND2 3.43Å; S122-N132 WeakPolarHBondContact CA-OD1 3.42Å; S122-N132 WeakPolarHBondContact CB-OD1 3.45Å; S122-N132 PolarHBondContact O-ND2 3.37Å; S122-N132 PolarHBondContact OG-OD1 2.89Å; G126-N132 PolarHBondContact O-ND2 3.18Å; S129-N132 PolarHBondContact O-N 3.29Å; S129-N132 WeakPolarHBondContact OG-CB 3.36Å; S129-N132 PolarHBondContact OG-N 2.84Å; S129-N132 PolarHBondContact OG-ND2 2.86Å; S129-N132 VanDerWaalsContact OG-ND2 3.12Å; L130-N132 VanDerWaalsContact C-N 3.34Å; L130-N132 PolarHBondContact O-N 3.03Å
133S93.5Very high93.8Very high6 Ų653.6 Ų53.64%0.04226%0.263CS..  trans-65.6146.3-178.4-66.10000111.8S129 L130 R141 R439S129-S133 WeakPolarHBondContact O-CB 3.46Å; S129-S133 PolarHBondContact O-N 2.96Å; S129-S133 PolarHBondContact O-OG 3.37Å; L130-S133 PolarHBondContact O-N 3.44Å; S133-R141 WeakPolarHBondContact OG-CD 3.4Å; S133-R439 PolarHBondContact O-NH1 2.81Å; S133-R439 PolarHBondContact O-NH2 3.25Å
134I93.9Very high93.8Very high90 Ų9051.8 Ų51.846%0.46225%0.252SS..  trans-131.4165.7176.159.8172000111.9V115 D136 I137 H138V115-I134 HydrophobicContact CG1-CG2 4.03Å; I134-D136 PolarHBondContact O-N 2.8Å; I134-I137 PolarHBondContact O-N 2.72Å; I134-H138 PolarHBondContact O-N 3.35Å; I134-H138 VanDerWaalsContact O-N 3.13Å
135G93.1Very high93.8Very high27 Ų2752.2 Ų52.228%0.27825%0.254SS..Hα-helixtrans54.7-134.7174.900000114.3H110 I137 H138 R139H110-G135 PolarHBondContact CE1-N 3.29Å; H110-G135 PolarHBondContact ND1-N 3.25Å; G135-I137 VanDerWaalsContact C-N 3.34Å; G135-I137 PolarHBondContact O-N 3.33Å; G135-H138 WeakPolarHBondContact O-CB 3.34Å; G135-H138 PolarHBondContact O-N 2.67Å; G135-R139 PolarHBondContact O-N 2.75Å
136D93.8Very high93.9Very high95 Ų9554.2 Ų54.251%0.50827%0.271SS..Hα-helixtrans-69.2-29.9-178-68-30.9000113.4I134 R139 R140I134-D136 PolarHBondContact O-N 2.8Å; D136-R139 PolarHBondContact O-N 3.14Å; D136-R139 IonicContact OD1-CZ 3.48Å; D136-R139 IonicContact OD1-NE 3.49Å; D136-R139 IonicContact OD1-NH2 3.33Å; D136-R140 WeakPolarHBondContact O-CG 3.43Å; D136-R140 PolarHBondContact O-N 3.2Å
137I93.6Very high93.8Very high90 Ų9057 Ų5746%0.46228%0.282SS..Hα-helixtrans-61.8-48.7174.2-61.7174.1000109.3I134 G135 R139 R140 R141I134-I137 PolarHBondContact O-N 2.72Å; G135-I137 VanDerWaalsContact C-N 3.34Å; G135-I137 PolarHBondContact O-N 3.33Å; I137-R139 VanDerWaalsContact C-N 3.35Å; I137-R139 PolarHBondContact O-N 3.17Å; I137-R140 PolarHBondContact O-N 3.3Å; I137-R141 WeakPolarHBondContact O-CB 3.48Å; I137-R141 PolarHBondContact O-N 3.21Å
138H95.6Very high93.9Very high4 Ų452.2 Ų52.22%0.01925%0.252CS..Hα-helixtrans-59.3-45.5174.5171.2-101.4000111.7H110 L130 I134 G135 R140 R141 R142 V438 R439H110-H138 AromaticContact NE2-ND1 3.43Å; H110-H138 PolarHBondContact NE2-ND1 2.91Å; L130-H138 VanDerWaalsContact CD1-CD2 3.45Å; L130-H138 WeakPolarHBondContact CD1-CD2 3.34Å; I134-H138 PolarHBondContact O-N 3.35Å; I134-H138 VanDerWaalsContact O-N 3.13Å; G135-H138 WeakPolarHBondContact O-CB 3.34Å; G135-H138 PolarHBondContact O-N 2.67Å; H138-R140 PolarHBondContact O-N 3.48Å; H138-R141 PolarHBondContact O-N 2.83Å; H138-R142 WeakPolarHBondContact O-CB 3.22Å; H138-R142 PolarHBondContact O-N 3.06Å; H138-V438 PolarHBondContact CE1-O 3.45Å; H138-V438 VanDerWaalsContact CE1-O 3.3Å; H138-R439 PolarHBondContact CD2-NH1 3.01Å; H138-R439 PolarHBondContact NE2-NH1 3.45Å
139R94.7Very high94Very high174 Ų17451.6 Ų51.666%0.65725%0.247SC*.Hα-helixtrans-59-47.2-179.8-168.9-172.5-56.4-171.25.6112G135 D136 I137 K143G135-R139 PolarHBondContact O-N 2.75Å; D136-R139 PolarHBondContact O-N 3.14Å; D136-R139 IonicContact OD1-CZ 3.48Å; D136-R139 IonicContact OD1-NE 3.49Å; D136-R139 IonicContact OD1-NH2 3.33Å; I137-R139 VanDerWaalsContact C-N 3.35Å; I137-R139 PolarHBondContact O-N 3.17Å; R139-K143 PolarHBondContact O-N 3.29Å; R139-K143 VanDerWaalsContact O-N 3.09Å
140R93.3Very high94Very high165 Ų16553.2 Ų53.262%0.62326%0.258SS*.Hα-helixtrans-64.9-51178.9-71.7-170.4-63-124.42.8111.9D136 I137 H138 R142 K143 V144D136-R140 WeakPolarHBondContact O-CG 3.43Å; D136-R140 PolarHBondContact O-N 3.2Å; I137-R140 PolarHBondContact O-N 3.3Å; H138-R140 PolarHBondContact O-N 3.48Å; R140-R142 VanDerWaalsContact C-N 3.32Å; R140-R142 PolarHBondContact O-N 3.43Å; R140-K143 WeakPolarHBondContact O-CB 3.36Å; R140-K143 PolarHBondContact O-N 3.13Å; R140-K143 VanDerWaalsContact O-N 3.15Å; R140-V144 PolarHBondContact O-N 3.09Å
141R93.6Very high93.9Very high37 Ų3756.2 Ų56.214%0.1427%0.272CS..Hα-helixtrans-59.4-43.1177.5-73.2-177.5-177.9-85.3-12.7111.5N128 L130 S133 I137 H138 K143 V144 F145 E285N128-R141 PolarHBondContact O-NE 3.21Å; N128-R141 PolarHBondContact O-NH1 3.47Å; N128-R141 PolarHBondContact OD1-NH2 2.87Å; L130-R141 HydrophobicContact CD1-CB 3.8Å; S133-R141 WeakPolarHBondContact OG-CD 3.4Å; I137-R141 WeakPolarHBondContact O-CB 3.48Å; I137-R141 PolarHBondContact O-N 3.21Å; H138-R141 PolarHBondContact O-N 2.83Å; R141-K143 VanDerWaalsContact C-N 3.29Å; R141-K143 PolarHBondContact O-N 3.34Å; R141-V144 PolarHBondContact O-N 2.91Å; R141-F145 WeakPolarHBondContact O-CD2 3.46Å; R141-F145 PolarHBondContact O-N 2.71Å; R141-E285 IonicContact CZ-OE1 2.8Å; R141-E285 IonicContact NH1-OE1 2.72Å; R141-E285 IonicContact NH2-OE1 3.57Å; R141-E285 PolarHBondContact NH2-OE1 3.23Å
142R95.3Very high93.9Very high46 Ų4661.7 Ų61.717%0.17429%0.294CS..Hα-helixtrans-59.6-40.3177.4-171.9176.2176.188.11112L130 H138 R140 F145 A146 V438 S440 L442L130-R142 HydrophobicContact CD1-CB 3.88Å; H138-R142 WeakPolarHBondContact O-CB 3.22Å; H138-R142 PolarHBondContact O-N 3.06Å; R140-R142 VanDerWaalsContact C-N 3.32Å; R140-R142 PolarHBondContact O-N 3.43Å; R142-F145 PolarHBondContact O-N 3.2Å; R142-A146 WeakPolarHBondContact O-CB 3.42Å; R142-A146 PolarHBondContact O-N 3.47Å; R142-V438 WeakPolarHBondContact CD-O 3.41Å; R142-V438 PolarHBondContact NE-O 3.45Å; R142-V438 PolarHBondContact NH1-O 2.88Å; R142-S440 VanDerWaalsContact CZ-O 3.28Å; R142-S440 PolarHBondContact NH1-O 2.85Å; R142-S440 PolarHBondContact NH2-O 3.09Å; R142-S440 PolarHBondContact NH2-OG 2.9Å; R142-L442 HydrophobicContact CG-CD1 4.2Å; R142-L442 HydrophobicContact CG-CD2 4.44Å
143K94.5Very high93.9Very high136 Ų13660.5 Ų60.559%0.59129%0.289SS*.Hα-helixtrans-61.8-43.8177.1-171.2-174.2177.5-151.60111.3R139 R140 R141 A146 N277R139-K143 PolarHBondContact O-N 3.29Å; R139-K143 VanDerWaalsContact O-N 3.09Å; R140-K143 WeakPolarHBondContact O-CB 3.36Å; R140-K143 PolarHBondContact O-N 3.13Å; R140-K143 VanDerWaalsContact O-N 3.15Å; R141-K143 VanDerWaalsContact C-N 3.29Å; R141-K143 PolarHBondContact O-N 3.34Å; K143-A146 WeakPolarHBondContact O-CB 3.15Å; K143-A146 PolarHBondContact O-N 3.48Å; K143-N277 WeakPolarHBondContact CD-OD1 3.19Å; K143-N277 VanDerWaalsContact CE-OD1 3.27Å; K143-N277 WeakPolarHBondContact CE-OD1 3.45Å; K143-N277 PolarHBondContact NZ-OD1 3.49Å
144V93.9Very high93.9Very high11 Ų1160.7 Ų60.77%0.06729%0.289CS..Hα-helixtrans-63.2-47.9176.2173.20000111.1R140 R141 A146 L270 S273 A274 N277R140-V144 PolarHBondContact O-N 3.09Å; R141-V144 PolarHBondContact O-N 2.91Å; V144-A146 PolarHBondContact O-N 3.34Å; V144-L270 HydrophobicContact CG1-CD1 3.78Å; V144-S273 WeakPolarHBondContact O-CB 3.48Å; V144-S273 PolarHBondContact O-OG 3.43Å; V144-A274 HydrophobicContact CG1-CB 3.91Å; V144-N277 HydrophobicContact CG2-CB 4.02Å
145F94.7Very high93.8Very high9 Ų961 Ų614%0.03929%0.288CS..Hα-helixtrans-67-22.8177.6-86-111.9000113.5L130 R141 R142 K147 V148 F149 L270 L293 L442L130-F145 HydrophobicContact CD2-CB 4.42Å; L130-F145 HydrophobicContact CD2-CG 4.37Å; R141-F145 WeakPolarHBondContact O-CD2 3.46Å; R141-F145 PolarHBondContact O-N 2.71Å; R142-F145 PolarHBondContact O-N 3.2Å; F145-K147 PolarHBondContact O-N 3.27Å; F145-V148 VanDerWaalsContact O-CB 3.28Å; F145-V148 WeakPolarHBondContact O-CB 3.36Å; F145-V148 PolarHBondContact O-N 3.02Å; F145-F149 VanDerWaalsContact O-CD2 3.3Å; F145-F149 WeakPolarHBondContact O-CD2 3.46Å; F145-L270 HydrophobicContact CB-CD1 4.39Å; F145-L270 HydrophobicContact CD1-CD1 4.19Å; F145-L270 HydrophobicContact CD2-CD1 3.52Å; F145-L270 HydrophobicContact CE1-CD1 4.41Å; F145-L270 HydrophobicContact CE2-CD1 3.77Å; F145-L270 HydrophobicContact CE2-CD2 4.35Å; F145-L270 HydrophobicContact CG-CD1 3.76Å; F145-L270 HydrophobicContact CZ-CD1 4.23Å; F145-L270 HydrophobicContact CZ-CD2 4.23Å; F145-L293 HydrophobicContact CD1-CD2 4.25Å; F145-L293 HydrophobicContact CE1-CD2 4.06Å; F145-L293 HydrophobicContact CE1-CG 4.17Å; F145-L442 HydrophobicContact CB-CD2 3.35Å; F145-L442 HydrophobicContact CG-CD2 4.45Å
146A95.1Very high93.7Very high43 Ų4360.8 Ų60.836%0.35528%0.283SS..Hα-helixtrans-63.3-31.6-175.300000112.6R142 K143 V144 V148 F149 L442R142-A146 WeakPolarHBondContact O-CB 3.42Å; R142-A146 PolarHBondContact O-N 3.47Å; K143-A146 WeakPolarHBondContact O-CB 3.15Å; K143-A146 PolarHBondContact O-N 3.48Å; V144-A146 PolarHBondContact O-N 3.34Å; A146-V148 PolarHBondContact O-N 2.84Å; A146-F149 PolarHBondContact O-N 3.35Å; A146-F149 VanDerWaalsContact O-N 3.09Å; A146-L442 HydrophobicContact CB-CD1 4.12Å
147K93.3Very high93.6Very high57 Ų5756.3 Ų56.325%0.24826%0.259CS..G310 helixtrans-63.6-31.5179.7-160.2-178.7-175.4-1700112.3F145 F149 S150 V269 E272 E276F145-K147 PolarHBondContact O-N 3.27Å; K147-F149 PolarHBondContact O-N 3.4Å; K147-F149 VanDerWaalsContact O-N 3.11Å; K147-S150 WeakPolarHBondContact O-CB 3.31Å; K147-S150 PolarHBondContact O-N 3.44Å; K147-S150 VanDerWaalsContact O-N 3.13Å; K147-S150 PolarHBondContact O-OG 2.88Å; K147-V269 HydrophobicContact CB-CG1 3.94Å; K147-V269 HydrophobicContact CD-CG1 4.12Å; K147-V269 HydrophobicContact CG-CG1 3.77Å; K147-E272 IonicContact NZ-OE2 3.72Å; K147-E272 PolarHBondContact NZ-OE2 3.14Å; K147-E276 IonicContact NZ-OE1 2.73Å; K147-E276 PolarHBondContact NZ-OE1 3.44Å; K147-E276 IonicContact NZ-OE2 3.44Å; K147-E276 PolarHBondContact NZ-OE2 3.3Å
148V93.7Very high93.6Very high0 Ų052.3 Ų52.30%024%0.238CC..G310 helixtrans-58-25.1175174.20000112.6F145 A146 Y157 A266 V269 L270F145-V148 VanDerWaalsContact O-CB 3.28Å; F145-V148 WeakPolarHBondContact O-CB 3.36Å; F145-V148 PolarHBondContact O-N 3.02Å; A146-V148 PolarHBondContact O-N 2.84Å; V148-Y157 WeakPolarHBondContact O-CE2 3.43Å; V148-Y157 PolarHBondContact O-OH 2.88Å; V148-A266 HydrophobicContact CB-CB 4.45Å; V148-A266 HydrophobicContact CG1-CB 3.26Å; V148-A266 WeakPolarHBondContact CG2-O 3.29Å; V148-V269 HydrophobicContact CG2-CB 4.45Å; V148-V269 HydrophobicContact CG2-CG1 4.27Å; V148-L270 HydrophobicContact CG2-CB 3.9Å; V148-L270 HydrophobicContact CG2-CD1 4.17Å
149F94.8Very high93.3Very high28 Ų2854.3 Ų54.312%0.12325%0.252CS..G310 helixtrans-115.621.3-176.6-50.3-77.7000111.8F145 A146 K147 L293 L442 L446F145-F149 VanDerWaalsContact O-CD2 3.3Å; F145-F149 WeakPolarHBondContact O-CD2 3.46Å; A146-F149 PolarHBondContact O-N 3.35Å; A146-F149 VanDerWaalsContact O-N 3.09Å; K147-F149 PolarHBondContact O-N 3.4Å; K147-F149 VanDerWaalsContact O-N 3.11Å; F149-L293 HydrophobicContact CZ-CD2 4.02Å; F149-L442 HydrophobicContact CD2-CB 4.22Å; F149-L442 HydrophobicContact CD2-CD2 3.95Å; F149-L442 HydrophobicContact CD2-CG 3.58Å; F149-L442 HydrophobicContact CE2-CB 4.12Å; F149-L442 HydrophobicContact CE2-CD2 3.8Å; F149-L442 HydrophobicContact CE2-CG 3.79Å; F149-L442 WeakPolarHBondContact CG-O 3.42Å; F149-L446 HydrophobicContact CD1-CB 4.03Å; F149-L446 HydrophobicContact CD1-CD2 4.25Å; F149-L446 HydrophobicContact CE1-CB 4.39Å; F149-L446 HydrophobicContact CE1-CD2 3.9Å
150S93.8Very high93.1Very high33 Ų3348.6 Ų48.623%0.23123%0.232CC..SBendtrans-68.4163.6173.588.30000111K147 E152 A153 L154K147-S150 WeakPolarHBondContact O-CB 3.31Å; K147-S150 PolarHBondContact O-N 3.44Å; K147-S150 VanDerWaalsContact O-N 3.13Å; K147-S150 PolarHBondContact O-OG 2.88Å; S150-E152 VanDerWaalsContact C-N 3.32Å; S150-E152 VanDerWaalsContact CB-OE2 3.27Å; S150-E152 WeakPolarHBondContact CB-OE2 3.26Å; S150-E152 PolarHBondContact O-N 2.77Å; S150-E152 PolarHBondContact OG-N 2.89Å; S150-E152 PolarHBondContact OG-OE2 3.47Å; S150-A153 PolarHBondContact O-N 3.45Å; S150-A153 PolarHBondContact OG-N 3.4Å; S150-L154 VanDerWaalsContact O-CG 3.25Å; S150-L154 WeakPolarHBondContact O-CG 3.36Å; S150-L154 PolarHBondContact O-N 3.32Å
151H92.9Very high93.2Very high80 Ų8040.7 Ų40.737%0.3720%0.202SC..Hα-helixtrans-60.2-45179.1-17888000111.4A153 L154 E155 L345 D346H151-A153 VanDerWaalsContact C-N 3.33Å; H151-A153 PolarHBondContact O-N 2.9Å; H151-L154 PolarHBondContact O-N 3.3Å; H151-E155 PolarHBondContact O-N 3.4Å; H151-L345 VanDerWaalsContact CE1-CD2 3.46Å; H151-L345 WeakPolarHBondContact CE1-CD2 3.31Å; H151-D346 IonicContact CE1-OD1 3.26Å
152E91.6Very high93.2Very high134 Ų13440.4 Ų40.463%0.62620%0.202SC*.Hα-helixtrans-62.4-40.1179.9-53.578.5-170.800111.8S150 E155 S156S150-E152 VanDerWaalsContact C-N 3.32Å; S150-E152 VanDerWaalsContact CB-OE2 3.27Å; S150-E152 WeakPolarHBondContact CB-OE2 3.26Å; S150-E152 PolarHBondContact O-N 2.77Å; S150-E152 PolarHBondContact OG-N 2.89Å; S150-E152 PolarHBondContact OG-OE2 3.47Å; E152-E155 PolarHBondContact O-N 3.35Å; E152-S156 PolarHBondContact O-N 2.79Å
153A92.6Very high93Very high6 Ų643.2 Ų43.25%0.0522%0.217CC..Hα-helixtrans-66.6-41.9175.700000111.8S150 H151 E155 S156 Y157S150-A153 PolarHBondContact O-N 3.45Å; S150-A153 PolarHBondContact OG-N 3.4Å; H151-A153 VanDerWaalsContact C-N 3.33Å; H151-A153 PolarHBondContact O-N 2.9Å; A153-E155 VanDerWaalsContact C-N 3.31Å; A153-E155 PolarHBondContact O-N 3.49Å; A153-S156 PolarHBondContact O-N 3.03Å; A153-S156 PolarHBondContact O-OG 3.34Å; A153-Y157 HydrophobicContact CB-CE2 4.1Å; A153-Y157 WeakPolarHBondContact O-CD1 3.35Å; A153-Y157 VanDerWaalsContact O-CD2 3.26Å; A153-Y157 WeakPolarHBondContact O-CD2 3.18Å; A153-Y157 WeakPolarHBondContact O-CE1 3.41Å; A153-Y157 PolarHBondContact O-N 3.29Å; A153-Y157 VanDerWaalsContact O-N 3.12Å
154L94.3Very high92.9Very high10 Ų1037.1 Ų37.15%0.05219%0.192CC..Hα-helixtrans-66-35.6177.8-66.4175.4000112.5S150 H151 S156 Y157 L158 L345 Q445 L446 L449S150-L154 VanDerWaalsContact O-CG 3.25Å; S150-L154 WeakPolarHBondContact O-CG 3.36Å; S150-L154 PolarHBondContact O-N 3.32Å; H151-L154 PolarHBondContact O-N 3.3Å; L154-S156 VanDerWaalsContact C-N 3.34Å; L154-Y157 HydrophobicContact CD2-CD2 4.21Å; L154-Y157 PolarHBondContact O-N 2.87Å; L154-L158 PolarHBondContact O-N 3.11Å; L154-L158 VanDerWaalsContact O-N 3.11Å; L154-L345 HydrophobicContact CB-CD2 4.14Å; L154-Q445 HydrophobicContact CD1-CB 3.5Å; L154-L446 HydrophobicContact CD2-CB 3.72Å; L154-L446 HydrophobicContact CD2-CD1 3.76Å; L154-L446 HydrophobicContact CD2-CG 4.34Å; L154-L449 HydrophobicContact CB-CD2 4.12Å; L154-L449 HydrophobicContact CD2-CD2 4.49Å
155E92Very high93Very high95 Ų9536.6 Ų36.644%0.44419%0.188SC..Hα-helixtrans-63.3-41174.9-166.5171.3-160.600111.1H151 E152 A153 Y157 L158 L345H151-E155 PolarHBondContact O-N 3.4Å; E152-E155 PolarHBondContact O-N 3.35Å; A153-E155 VanDerWaalsContact C-N 3.31Å; A153-E155 PolarHBondContact O-N 3.49Å; E155-Y157 VanDerWaalsContact C-N 3.31Å; E155-Y157 PolarHBondContact O-N 2.9Å; E155-L158 PolarHBondContact O-N 3.2Å; E155-L345 HydrophobicContact CB-CD2 4.04Å; E155-L345 HydrophobicContact CG-CB 4.42Å
156S90.3Very high92.9Very high24 Ų2438.5 Ų38.517%0.16820%0.197CC..Hα-helixtrans-69.1-26.8175.8790000113.7E152 A153 L154 S264E152-S156 PolarHBondContact O-N 2.79Å; A153-S156 PolarHBondContact O-N 3.03Å; A153-S156 PolarHBondContact O-OG 3.34Å; L154-S156 VanDerWaalsContact C-N 3.34Å; S156-S264 PolarHBondContact OG-O 3.34Å
157Y92.6Very high92.7Very high0 Ų039.5 Ų39.50%019%0.194CC..Hα-helixtrans-81-26.8178.7-56.1-18.5000112.9V148 A153 L154 E155 K160 I161 V196 L197 S264 A266 L446V148-Y157 WeakPolarHBondContact O-CE2 3.43Å; V148-Y157 PolarHBondContact O-OH 2.88Å; A153-Y157 HydrophobicContact CB-CE2 4.1Å; A153-Y157 WeakPolarHBondContact O-CD1 3.35Å; A153-Y157 VanDerWaalsContact O-CD2 3.26Å; A153-Y157 WeakPolarHBondContact O-CD2 3.18Å; A153-Y157 WeakPolarHBondContact O-CE1 3.41Å; A153-Y157 PolarHBondContact O-N 3.29Å; A153-Y157 VanDerWaalsContact O-N 3.12Å; L154-Y157 HydrophobicContact CD2-CD2 4.21Å; L154-Y157 PolarHBondContact O-N 2.87Å; E155-Y157 VanDerWaalsContact C-N 3.31Å; E155-Y157 PolarHBondContact O-N 2.9Å; Y157-K160 PolarHBondContact O-N 3.23Å; Y157-K160 VanDerWaalsContact O-N 3.12Å; Y157-I161 WeakPolarHBondContact O-CG1 3.37Å; Y157-I161 PolarHBondContact O-N 3.47Å; Y157-V196 HydrophobicContact CG-CG1 4.32Å; Y157-L197 HydrophobicContact CD2-CD2 4.46Å; Y157-L197 HydrophobicContact CE2-CD2 4.43Å; Y157-S264 VanDerWaalsContact CE1-O 3.29Å; Y157-S264 WeakPolarHBondContact CE1-O 3.49Å; Y157-A266 WeakPolarHBondContact OH-CA 3.42Å; Y157-A266 PolarHBondContact OH-N 3.23Å; Y157-L446 HydrophobicContact CD2-CD1 4.26Å
158L92.9Very high92.7Very high6 Ų637.7 Ų37.73%0.03119%0.189CC..Hα-helixtrans-51.6-51.2-170-178167.1000113.2L154 E155 K160 I161 Q162 L343 L345 I348 I453L154-L158 PolarHBondContact O-N 3.11Å; L154-L158 VanDerWaalsContact O-N 3.11Å; E155-L158 PolarHBondContact O-N 3.2Å; L158-K160 VanDerWaalsContact C-N 3.3Å; L158-K160 PolarHBondContact O-N 2.98Å; L158-I161 WeakPolarHBondContact O-CB 3.27Å; L158-I161 PolarHBondContact O-N 3.45Å; L158-I161 VanDerWaalsContact O-N 3.16Å; L158-Q162 PolarHBondContact O-N 2.89Å; L158-L343 HydrophobicContact CD2-CB 4.29Å; L158-L343 WeakPolarHBondContact CD2-O 3.28Å; L158-L345 HydrophobicContact CD1-CB 3.92Å; L158-L345 HydrophobicContact CD1-CD1 4.45Å; L158-I348 HydrophobicContact CD1-CD1 3.71Å; L158-I348 HydrophobicContact CG-CD1 4.27Å; L158-I453 HydrophobicContact CG-CD1 4.15Å
159P90.3Very high92.7Very high46 Ų4637.9 Ų37.930%0.29919%0.19SC..Hα-helixtrans-61-40.1-178.3-24.135.2000112.4Q162 Q163P159-Q162 PolarHBondContact O-N 3.31Å; P159-Q163 WeakPolarHBondContact O-CB 3.38Å; P159-Q163 PolarHBondContact O-N 3.02Å
160K90.5Very high92.6Very high54 Ų5444.2 Ų44.224%0.23521%0.213CC..Hα-helixtrans-68.6-38.6178-62.3178.7-177.3171.80111.6Y157 L158 V164 V196 Y263Y157-K160 PolarHBondContact O-N 3.23Å; Y157-K160 VanDerWaalsContact O-N 3.12Å; L158-K160 VanDerWaalsContact C-N 3.3Å; L158-K160 PolarHBondContact O-N 2.98Å; K160-V164 WeakPolarHBondContact O-CG2 3.24Å; K160-V164 PolarHBondContact O-N 3.44Å; K160-V164 VanDerWaalsContact O-N 3.09Å; K160-V196 HydrophobicContact CB-CB 4.35Å; K160-V196 HydrophobicContact CB-CG1 3.83Å; K160-V196 HydrophobicContact CB-CG2 3.76Å; K160-V196 HydrophobicContact CD-CG1 4.38Å; K160-Y263 PolarHBondContact NZ-O 3.06Å
161I94.3Very high92.5Very high0 Ų046.9 Ų46.90%023%0.228CC..Hα-helixtrans-59.1-51.6173.8-67.6164.3000109.9Y157 L158 Q163 V164 I165 M192 V196 L446 L449 F450 I453Y157-I161 WeakPolarHBondContact O-CG1 3.37Å; Y157-I161 PolarHBondContact O-N 3.47Å; L158-I161 WeakPolarHBondContact O-CB 3.27Å; L158-I161 PolarHBondContact O-N 3.45Å; L158-I161 VanDerWaalsContact O-N 3.16Å; I161-Q163 PolarHBondContact O-N 3.26Å; I161-V164 PolarHBondContact O-N 3.28Å; I161-I165 HydrophobicContact CG2-CD1 3.71Å; I161-I165 WeakPolarHBondContact O-CG1 3.38Å; I161-I165 PolarHBondContact O-N 2.75Å; I161-M192 HydrophobicContact CB-SD 4.32Å; I161-M192 HydrophobicContact CD1-CE 3.86Å; I161-M192 HydrophobicContact CG1-CE 3.3Å; I161-M192 HydrophobicContact CG1-SD 3.63Å; I161-V196 HydrophobicContact CG1-CG1 4.2Å; I161-L446 HydrophobicContact CD1-CD1 3.89Å; I161-L449 HydrophobicContact CD1-CD2 4.06Å; I161-L449 HydrophobicContact CD1-CG 4.47Å; I161-F450 HydrophobicContact CG2-CD2 3.87Å; I161-F450 HydrophobicContact CG2-CE2 4.4Å; I161-I453 HydrophobicContact CB-CD1 4Å; I161-I453 HydrophobicContact CG2-CB 4.42Å; I161-I453 HydrophobicContact CG2-CD1 3.56Å; I161-I453 HydrophobicContact CG2-CG2 4.43Å
162Q92.9Very high92.6Very high30 Ų3043.4 Ų43.414%0.1421%0.212CC..Hα-helixtrans-59.3-47.8-178.5-171.4-177.96.900111.1L158 P159 V164 I165 Q166 L343 I453 E457L158-Q162 PolarHBondContact O-N 2.89Å; P159-Q162 PolarHBondContact O-N 3.31Å; Q162-V164 PolarHBondContact O-N 3.06Å; Q162-I165 PolarHBondContact O-N 3.2Å; Q162-Q166 HydrophobicContact CG-CG 4.42Å; Q162-Q166 WeakPolarHBondContact O-CG 3.27Å; Q162-Q166 PolarHBondContact O-N 2.8Å; Q162-L343 VanDerWaalsContact NE2-CD1 3.3Å; Q162-I453 HydrophobicContact CB-CG2 4.1Å; Q162-I453 HydrophobicContact CG-CG2 4.16Å; Q162-E457 WeakPolarHBondContact CG-OE1 2.89Å; Q162-E457 PolarHBondContact NE2-OE1 3.2Å
163Q91.4Very high92.6Very high106 Ų10638 Ų3850%0.49519%0.189SC..Hα-helixtrans-56.8-49.3178-176.9-175.6-12.300112.2P159 I161 I165 Q166 E167P159-Q163 WeakPolarHBondContact O-CB 3.38Å; P159-Q163 PolarHBondContact O-N 3.02Å; I161-Q163 PolarHBondContact O-N 3.26Å; Q163-I165 VanDerWaalsContact C-N 3.3Å; Q163-I165 PolarHBondContact O-N 3.21Å; Q163-Q166 PolarHBondContact O-N 3.41Å; Q163-E167 HydrophobicContact CG-CG 4.48Å; Q163-E167 WeakPolarHBondContact CG-OE1 3.46Å; Q163-E167 PolarHBondContact NE2-OE1 2.78Å; Q163-E167 WeakPolarHBondContact O-CB 3.22Å; Q163-E167 WeakPolarHBondContact O-CG 3.33Å; Q163-E167 PolarHBondContact O-N 3.27Å
164V93.6Very high92.5Very high8 Ų842.6 Ų42.65%0.04822%0.22CC..Hα-helixtrans-63.5-36.8-179.2170.30000111.8K160 I161 Q162 S168 L188 T191 V196K160-V164 WeakPolarHBondContact O-CG2 3.24Å; K160-V164 PolarHBondContact O-N 3.44Å; K160-V164 VanDerWaalsContact O-N 3.09Å; I161-V164 PolarHBondContact O-N 3.28Å; Q162-V164 PolarHBondContact O-N 3.06Å; V164-S168 WeakPolarHBondContact O-CB 3.48Å; V164-S168 PolarHBondContact O-N 3.24Å; V164-S168 VanDerWaalsContact O-N 3.09Å; V164-S168 PolarHBondContact O-OG 3.17Å; V164-L188 HydrophobicContact CG1-CD1 3.75Å; V164-T191 HydrophobicContact CG1-CG2 3.95Å; V164-V196 HydrophobicContact CG2-CG2 4.15Å
165I95.3Very high92.4Very high0 Ų045 Ų450%023%0.233CC..Hα-helixtrans-65.9-48.9174.8-72.3170.6000110.4I161 Q162 Q163 E167 S168 L169 L188 F450 I453 L454 E457I161-I165 HydrophobicContact CG2-CD1 3.71Å; I161-I165 WeakPolarHBondContact O-CG1 3.38Å; I161-I165 PolarHBondContact O-N 2.75Å; Q162-I165 PolarHBondContact O-N 3.2Å; Q163-I165 VanDerWaalsContact C-N 3.3Å; Q163-I165 PolarHBondContact O-N 3.21Å; I165-E167 PolarHBondContact O-N 2.86Å; I165-S168 PolarHBondContact O-N 2.64Å; I165-S168 VanDerWaalsContact O-N 3.15Å; I165-L169 HydrophobicContact CG2-CD1 3.97Å; I165-L169 HydrophobicContact CG2-CG 4.33Å; I165-L169 WeakPolarHBondContact O-CG 3.39Å; I165-L169 PolarHBondContact O-N 3.1Å; I165-L188 HydrophobicContact CG1-CD1 4.21Å; I165-F450 HydrophobicContact CD1-CD2 4.16Å; I165-F450 HydrophobicContact CD1-CE1 4.44Å; I165-F450 HydrophobicContact CD1-CE2 3.88Å; I165-F450 HydrophobicContact CD1-CZ 4.01Å; I165-F450 HydrophobicContact CG1-CE2 4Å; I165-F450 HydrophobicContact CG1-CZ 4.01Å; I165-I453 HydrophobicContact CD1-CB 3.97Å; I165-I453 HydrophobicContact CD1-CG2 3.66Å; I165-L454 HydrophobicContact CD1-CB 4.19Å; I165-L454 HydrophobicContact CG2-CD1 3.93Å; I165-E457 HydrophobicContact CG2-CB 3.85Å; I165-E457 HydrophobicContact CG2-CG 3.88Å
166Q92Very high92.4Very high49 Ų4945.1 Ų45.123%0.22924%0.242CC..Hα-helixtrans-59.7-45.4179-74175.4-9.300112.1Q162 Q163 S168 L169 R170 E457Q162-Q166 HydrophobicContact CG-CG 4.42Å; Q162-Q166 WeakPolarHBondContact O-CG 3.27Å; Q162-Q166 PolarHBondContact O-N 2.8Å; Q163-Q166 PolarHBondContact O-N 3.41Å; Q166-S168 VanDerWaalsContact C-N 3.3Å; Q166-S168 PolarHBondContact O-N 3.47Å; Q166-L169 PolarHBondContact O-N 3.11Å; Q166-R170 WeakPolarHBondContact O-CG 3.44Å; Q166-R170 PolarHBondContact O-N 3.4Å; Q166-E457 HydrophobicContact CG-CG 4.31Å; Q166-E457 WeakPolarHBondContact CG-OE2 3.33Å; Q166-E457 PolarHBondContact NE2-OE1 3.03Å; Q166-E457 PolarHBondContact NE2-OE2 3.45Å
167E91.4Very high92.6Very high63 Ų6350.2 Ų50.229%0.29426%0.263SS..Hα-helixtrans-58-44.2174.8-74.4172.2-173.300111.3Q163 I165 R170 V171 R195Q163-E167 HydrophobicContact CG-CG 4.48Å; Q163-E167 WeakPolarHBondContact CG-OE1 3.46Å; Q163-E167 PolarHBondContact NE2-OE1 2.78Å; Q163-E167 WeakPolarHBondContact O-CB 3.22Å; Q163-E167 WeakPolarHBondContact O-CG 3.33Å; Q163-E167 PolarHBondContact O-N 3.27Å; I165-E167 PolarHBondContact O-N 2.86Å; E167-R170 PolarHBondContact O-N 3.39Å; E167-V171 WeakPolarHBondContact O-CG2 3.48Å; E167-V171 PolarHBondContact O-N 3.5Å; E167-R195 IonicContact OE2-NH1 3.48Å; E167-R195 PolarHBondContact OE2-NH1 2.94Å
168S93.9Very high92.8Very high20 Ų2052.7 Ų52.714%0.1428%0.28CS..Hα-helixtrans-65.8-44.5179.1-61.10000112.1V164 I165 Q166 R170 V171 W172 L188V164-S168 WeakPolarHBondContact O-CB 3.48Å; V164-S168 PolarHBondContact O-N 3.24Å; V164-S168 VanDerWaalsContact O-N 3.09Å; V164-S168 PolarHBondContact O-OG 3.17Å; I165-S168 PolarHBondContact O-N 2.64Å; I165-S168 VanDerWaalsContact O-N 3.15Å; Q166-S168 VanDerWaalsContact C-N 3.3Å; Q166-S168 PolarHBondContact O-N 3.47Å; S168-R170 VanDerWaalsContact C-N 3.33Å; S168-R170 PolarHBondContact O-N 3.32Å; S168-V171 PolarHBondContact O-N 3.39Å; S168-W172 PolarHBondContact O-N 2.92Å; S168-L188 WeakPolarHBondContact OG-CD1 3.47Å
169L93.7Very high93Very high4 Ų452.9 Ų52.92%0.02128%0.28CS..Hα-helixtrans-64-37177-69.3177.5000112.2I165 Q166 W172 S173 E457 L458 F490I165-L169 HydrophobicContact CG2-CD1 3.97Å; I165-L169 HydrophobicContact CG2-CG 4.33Å; I165-L169 WeakPolarHBondContact O-CG 3.39Å; I165-L169 PolarHBondContact O-N 3.1Å; Q166-L169 PolarHBondContact O-N 3.11Å; L169-W172 HydrophobicContact CD2-CD2 4.45Å; L169-W172 HydrophobicContact CD2-CE3 3.55Å; L169-W172 HydrophobicContact CD2-CZ3 3.67Å; L169-W172 PolarHBondContact O-N 3.4Å; L169-S173 VanDerWaalsContact O-CB 3.29Å; L169-S173 WeakPolarHBondContact O-CB 3.43Å; L169-S173 PolarHBondContact O-N 3.48Å; L169-S173 PolarHBondContact O-OG 3.04Å; L169-E457 HydrophobicContact CD1-CB 3.55Å; L169-L458 HydrophobicContact CD2-CD2 3.71Å; L169-L458 HydrophobicContact CD2-CG 4.45Å; L169-F490 HydrophobicContact CD2-CE1 4.38Å
170R91.7Very high93.4Very high160 Ų16052.6 Ų52.660%0.60428%0.277SS*.Hα-helixtrans-61-46.9171.7-74.5176.9-172.5146.34.8111.2Q166 E167 S168 W172 S173 S174Q166-R170 WeakPolarHBondContact O-CG 3.44Å; Q166-R170 PolarHBondContact O-N 3.4Å; E167-R170 PolarHBondContact O-N 3.39Å; S168-R170 VanDerWaalsContact C-N 3.33Å; S168-R170 PolarHBondContact O-N 3.32Å; R170-W172 VanDerWaalsContact C-N 3.33Å; R170-W172 PolarHBondContact O-N 3.38Å; R170-S173 PolarHBondContact O-N 3.27Å; R170-S174 WeakPolarHBondContact O-CB 3.38Å; R170-S174 PolarHBondContact O-N 3Å; R170-S174 PolarHBondContact O-OG 3.26Å; R170-S174 VanDerWaalsContact O-OG 3.08Å
171V92.1Very high93.8Very high90 Ų9050 Ų5055%0.54527%0.265SS..Hα-helixtrans-61.7-41.2176.9171.70000111.5E167 S168 N175E167-V171 WeakPolarHBondContact O-CG2 3.48Å; E167-V171 PolarHBondContact O-N 3.5Å; S168-V171 PolarHBondContact O-N 3.39Å; V171-N175 PolarHBondContact O-N 3.29Å
172W95Very high94Very high7 Ų751.5 Ų51.53%0.02727%0.271CS..Hα-helixtrans-64.8-41.8177.5-61.7-4.6000111.7S168 L169 R170 N175 I179 E184 L188 I309 F490S168-W172 PolarHBondContact O-N 2.92Å; L169-W172 HydrophobicContact CD2-CD2 4.45Å; L169-W172 HydrophobicContact CD2-CE3 3.55Å; L169-W172 HydrophobicContact CD2-CZ3 3.67Å; L169-W172 PolarHBondContact O-N 3.4Å; R170-W172 VanDerWaalsContact C-N 3.33Å; R170-W172 PolarHBondContact O-N 3.38Å; W172-N175 WeakPolarHBondContact O-CB 3.28Å; W172-N175 PolarHBondContact O-N 2.87Å; W172-I179 HydrophobicContact CB-CD1 3.87Å; W172-I179 HydrophobicContact CD2-CD1 3.66Å; W172-I179 HydrophobicContact CE3-CD1 4.12Å; W172-I179 HydrophobicContact CG-CD1 3.51Å; W172-E184 HydrophobicContact CZ2-CB 3.82Å; W172-L188 HydrophobicContact CH2-CD2 4Å; W172-L188 HydrophobicContact CZ2-CB 4.4Å; W172-L188 HydrophobicContact CZ2-CD2 4.18Å; W172-I309 HydrophobicContact CH2-CD1 4.5Å; W172-I309 HydrophobicContact CZ3-CD1 4.04Å; W172-F490 HydrophobicContact CB-CB 4.24Å; W172-F490 HydrophobicContact CB-CD2 4.11Å; W172-F490 HydrophobicContact CB-CG 4.05Å; W172-F490 HydrophobicContact CE3-CD1 4.37Å; W172-F490 HydrophobicContact CE3-CD2 4.46Å; W172-F490 AromaticContact CE3-CE1 3.88Å; W172-F490 HydrophobicContact CE3-CE1 3.88Å; W172-F490 AromaticContact CE3-CE2 3.99Å; W172-F490 HydrophobicContact CE3-CE2 3.99Å; W172-F490 AromaticContact CE3-CZ 3.68Å; W172-F490 HydrophobicContact CE3-CZ 3.68Å; W172-F490 HydrophobicContact CZ3-CE1 4.4Å; W172-F490 HydrophobicContact CZ3-CZ 4.08Å
173S91.6Very high94.2Very high20 Ų2056.4 Ų56.414%0.1429%0.288CS..Hα-helixtrans-70.2-33.6-179.6-60.70000113.2L169 R170 N175L169-S173 VanDerWaalsContact O-CB 3.29Å; L169-S173 WeakPolarHBondContact O-CB 3.43Å; L169-S173 PolarHBondContact O-N 3.48Å; L169-S173 PolarHBondContact O-OG 3.04Å; R170-S173 PolarHBondContact O-N 3.27Å; S173-N175 PolarHBondContact O-N 2.76Å
174S90.6Very high94.5Very high102 Ų10252.7 Ų52.771%0.71327%0.271SS*.THydrogen-bonded Turntrans-77.3-8.1176.1-62.80000113.4R170 P176R170-S174 WeakPolarHBondContact O-CB 3.38Å; R170-S174 PolarHBondContact O-N 3Å; R170-S174 PolarHBondContact O-OG 3.26Å; R170-S174 VanDerWaalsContact O-OG 3.08Å; S174-P176 WeakPolarHBondContact O-CD 3.39Å
175N92.4Very high94.7Very high61 Ų6152.3 Ų52.333%0.32627%0.269SS..  trans-76122.6179-164.1-32.8000110.1V171 W172 S173 E177 I179 K489V171-N175 PolarHBondContact O-N 3.29Å; W172-N175 WeakPolarHBondContact O-CB 3.28Å; W172-N175 PolarHBondContact O-N 2.87Å; S173-N175 PolarHBondContact O-N 2.76Å; N175-E177 PolarHBondContact O-N 3.38Å; N175-E177 PolarHBondContact OD1-N 3.1Å; N175-E177 PolarHBondContact OD1-O 3.43Å; N175-I179 HydrophobicContact CB-CG2 4.14Å; N175-K489 PolarHBondContact O-NZ 3.49Å
176P91.1Very high94.9Very high98 Ų9853.4 Ų53.464%0.63627%0.274SS*.SBendtrans-65.1-27.1178.526.3-34.8000112.7S174 K489S174-P176 WeakPolarHBondContact O-CD 3.39Å; P176-K489 PolarHBondContact O-NZ 3.32Å
177E95.8Very high95.1Very high130 Ų13055.3 Ų55.361%0.60728%0.279SS*.SBendtrans-104155.7-177.2-66.3-57.7131.300112.6N175 I179N175-E177 PolarHBondContact O-N 3.38Å; N175-E177 PolarHBondContact OD1-N 3.1Å; N175-E177 PolarHBondContact OD1-O 3.43Å; E177-I179 PolarHBondContact O-N 3.01Å
178P96.9Very high95.4Very high52 Ų5252.5 Ų52.534%0.33827%0.266SS..PPolyproline II helixtrans-57.5136169.7-23.934000112.8A467 V488 K489P178-A467 HydrophobicContact CB-CB 3.44Å; P178-A467 VanDerWaalsContact CB-CB 3.44Å; P178-A467 HydrophobicContact CG-CB 3.51Å; P178-V488 CarbonylContact C-O 3.52Å; P178-V488 WeakPolarHBondContact CA-O 3.28Å; P178-K489 HydrophobicContact CG-CB 4.47Å
179I97.8Very high95.6Very high10 Ų1051.6 Ų51.65%0.05126%0.26CS..EExtended strand (participates in β ladder)trans-93.9160179.864.6164.7000112W172 N175 E177 V181 E184 K487 V488 F490W172-I179 HydrophobicContact CB-CD1 3.87Å; W172-I179 HydrophobicContact CD2-CD1 3.66Å; W172-I179 HydrophobicContact CE3-CD1 4.12Å; W172-I179 HydrophobicContact CG-CD1 3.51Å; N175-I179 HydrophobicContact CB-CG2 4.14Å; E177-I179 PolarHBondContact O-N 3.01Å; I179-V181 HydrophobicContact CD1-CG2 4.39Å; I179-V181 HydrophobicContact CG1-CG2 4.27Å; I179-E184 HydrophobicContact CB-CG 4.21Å; I179-E184 HydrophobicContact CD1-CB 4.15Å; I179-E184 HydrophobicContact CD1-CG 3.92Å; I179-K487 WeakPolarHBondContact O-CA 3.36Å; I179-V488 PolarHBondContact N-O 2.7Å; I179-V488 PolarHBondContact O-N 2.96Å; I179-V488 VanDerWaalsContact O-N 3.13Å; I179-F490 HydrophobicContact CD1-CD2 3.86Å; I179-F490 HydrophobicContact CD1-CE2 3.69Å; I179-F490 HydrophobicContact CG1-CD2 4.02Å; I179-F490 HydrophobicContact CG1-CE2 3.99Å
180N98.2Very high95.8Very high41 Ų4151.5 Ų51.522%0.21926%0.259CS..EExtended strand (participates in β ladder)trans-86.8102.3164179.1-52.7000108.2Y182 R183 E184 D484 G485N180-Y182 VanDerWaalsContact C-N 3.28Å; N180-Y182 PolarHBondContact O-N 2.68Å; N180-Y182 PolarHBondContact OD1-N 3.22Å; N180-R183 HydrophobicContact CB-CB 4.16Å; N180-R183 PolarHBondContact O-N 3.17Å; N180-R183 WeakPolarHBondContact OD1-CB 3.33Å; N180-R183 PolarHBondContact OD1-N 3.04Å; N180-E184 WeakPolarHBondContact O-CG 3.47Å; N180-E184 PolarHBondContact O-N 3.11Å; N180-D484 PolarHBondContact ND2-O 3.08Å; N180-G485 WeakPolarHBondContact OD1-CA 3.43Å; N180-G485 PolarHBondContact OD1-O 3.49Å
181V98.4Very high96Very high0 Ų044.8 Ų44.80%024%0.236CC..Hα-helixtrans-60.4-37.3-174.2172.30000112.1I179 E184 S185 T306 I309 G485 L486 V488 F490I179-V181 HydrophobicContact CD1-CG2 4.39Å; I179-V181 HydrophobicContact CG1-CG2 4.27Å; V181-E184 PolarHBondContact O-N 3.14Å; V181-S185 WeakPolarHBondContact O-CB 3.49Å; V181-S185 PolarHBondContact O-N 3Å; V181-S185 PolarHBondContact O-OG 3.08Å; V181-T306 HydrophobicContact CB-CG2 4.5Å; V181-T306 HydrophobicContact CG1-CG2 4.05Å; V181-I309 HydrophobicContact CG1-CB 4.32Å; V181-I309 HydrophobicContact CG1-CD1 3.49Å; V181-I309 VanDerWaalsContact CG1-CD1 3.49Å; V181-I309 HydrophobicContact CG1-CG1 4.5Å; V181-I309 HydrophobicContact CG1-CG2 4.32Å; V181-G485 PolarHBondContact N-O 3.37Å; V181-L486 HydrophobicContact CB-CB 4.29Å; V181-L486 HydrophobicContact CB-CD2 4.16Å; V181-L486 WeakPolarHBondContact CB-O 3.48Å; V181-L486 HydrophobicContact CG1-CD2 4.27Å; V181-L486 HydrophobicContact CG2-CD2 4.32Å; V181-L486 WeakPolarHBondContact CG2-O 3.23Å; V181-L486 PolarHBondContact N-O 3.33Å; V181-V488 HydrophobicContact CG2-CB 3.63Å; V181-V488 HydrophobicContact CG2-CG2 3.49Å; V181-V488 VanDerWaalsContact CG2-CG2 3.49Å; V181-F490 HydrophobicContact CG2-CE2 4.01Å; V181-F490 HydrophobicContact CG2-CZ 4.43Å
182Y98.3Very high96.1Very high30 Ų3041 Ų4112%0.11821%0.212CC..Hα-helixtrans-64.2-46.2179.5-177.4-124000112.3N180 S185 Q186 A302 T306 H481 G485N180-Y182 VanDerWaalsContact C-N 3.28Å; N180-Y182 PolarHBondContact O-N 2.68Å; N180-Y182 PolarHBondContact OD1-N 3.22Å; Y182-S185 PolarHBondContact O-N 3Å; Y182-Q186 HydrophobicContact CE2-CG 4.44Å; Y182-Q186 WeakPolarHBondContact O-CG 3.26Å; Y182-Q186 PolarHBondContact O-N 3.33Å; Y182-A302 HydrophobicContact CE2-CB 4.29Å; Y182-T306 WeakPolarHBondContact CA-OG1 3.26Å; Y182-H481 HydrophobicContact CD1-CB 4Å; Y182-H481 AromaticContact CD1-CD2 3.82Å; Y182-H481 HydrophobicContact CD2-CB 3.72Å; Y182-H481 HydrophobicContact CE1-CB 3.85Å; Y182-H481 AromaticContact CE1-CD2 3.54Å; Y182-H481 AromaticContact CE1-CG 3.63Å; Y182-H481 HydrophobicContact CE2-CB 3.58Å; Y182-H481 HydrophobicContact CG-CB 3.94Å; Y182-H481 AromaticContact CZ-CG 3.69Å; Y182-G485 PolarHBondContact N-O 3.3Å
183R97.3Very high96.1Very high134 Ų13440.7 Ų40.751%0.50621%0.211SC..Hα-helixtrans-65-41.1177.5-172.7178.7-175.31791.8111.7N180 Q186 R187N180-R183 HydrophobicContact CB-CB 4.16Å; N180-R183 PolarHBondContact O-N 3.17Å; N180-R183 WeakPolarHBondContact OD1-CB 3.33Å; N180-R183 PolarHBondContact OD1-N 3.04Å; R183-Q186 WeakPolarHBondContact O-CB 3.29Å; R183-Q186 PolarHBondContact O-N 2.92Å; R183-R187 PolarHBondContact O-N 3.27Å
184E97.9Very high96.2Very high27 Ų2739.9 Ų39.913%0.12621%0.206CC..Hα-helixtrans-71.4-33.5177.3-66.8-53.2119.300112W172 I179 N180 V181 Q186 R187 L188W172-E184 HydrophobicContact CZ2-CB 3.82Å; I179-E184 HydrophobicContact CB-CG 4.21Å; I179-E184 HydrophobicContact CD1-CB 4.15Å; I179-E184 HydrophobicContact CD1-CG 3.92Å; N180-E184 WeakPolarHBondContact O-CG 3.47Å; N180-E184 PolarHBondContact O-N 3.11Å; V181-E184 PolarHBondContact O-N 3.14Å; E184-Q186 VanDerWaalsContact C-N 3.34Å; E184-R187 WeakPolarHBondContact O-CB 3.19Å; E184-R187 PolarHBondContact O-N 3.09Å; E184-R187 IonicContact OE1-CZ 3.17Å; E184-R187 IonicContact OE1-NH1 3.29Å; E184-R187 PolarHBondContact OE1-NH1 2.92Å; E184-R187 IonicContact OE1-NH2 2.87Å; E184-R187 PolarHBondContact OE1-NH2 3.34Å; E184-R187 IonicContact OE2-CZ 3.25Å; E184-R187 VanDerWaalsContact OE2-CZ 3.25Å; E184-R187 IonicContact OE2-NE 3.9Å; E184-R187 IonicContact OE2-NH1 2.77Å; E184-R187 PolarHBondContact OE2-NH1 3.36Å; E184-R187 IonicContact OE2-NH2 3.21Å; E184-L188 WeakPolarHBondContact O-CB 3.35Å; E184-L188 PolarHBondContact O-N 2.94Å
185S98.4Very high96.3Very high0 Ų038.1 Ų38.10%018%0.183CC..Hα-helixtrans-66.8-34.5171.9-61.60000112V181 Y182 S189 T306V181-S185 WeakPolarHBondContact O-CB 3.49Å; V181-S185 PolarHBondContact O-N 3Å; V181-S185 PolarHBondContact O-OG 3.08Å; Y182-S185 PolarHBondContact O-N 3Å; S185-S189 VanDerWaalsContact O-CB 3.32Å; S185-S189 WeakPolarHBondContact O-CB 3.23Å; S185-S189 PolarHBondContact O-N 3.28Å; S185-S189 PolarHBondContact O-OG 3.46Å; S185-T306 PolarHBondContact OG-OG1 3.28Å
186Q98Very high96.1Very high24 Ų2435.2 Ų35.211%0.11217%0.168CC..Hα-helixtrans-62.9-44.6169.7-75.5-178.7-31.600111.2Y182 R183 E184 S189 F190 F211 F298 A302Y182-Q186 HydrophobicContact CE2-CG 4.44Å; Y182-Q186 WeakPolarHBondContact O-CG 3.26Å; Y182-Q186 PolarHBondContact O-N 3.33Å; R183-Q186 WeakPolarHBondContact O-CB 3.29Å; R183-Q186 PolarHBondContact O-N 2.92Å; E184-Q186 VanDerWaalsContact C-N 3.34Å; Q186-S189 PolarHBondContact O-N 3.31Å; Q186-F190 WeakPolarHBondContact O-CB 3.45Å; Q186-F190 PolarHBondContact O-N 2.89Å; Q186-F211 HydrophobicContact CB-CE2 4.04Å; Q186-F211 HydrophobicContact CB-CZ 4.12Å; Q186-F298 HydrophobicContact CB-CE1 4.49Å; Q186-F298 HydrophobicContact CB-CE2 3.97Å; Q186-F298 HydrophobicContact CB-CZ 3.82Å; Q186-F298 HydrophobicContact CG-CE1 4.25Å; Q186-F298 HydrophobicContact CG-CZ 4.06Å; Q186-F298 WeakPolarHBondContact O-CE2 3.3Å; Q186-A302 HydrophobicContact CB-CB 4.27Å; Q186-A302 HydrophobicContact CG-CB 3.69Å
187R97.4Very high96.1Very high89 Ų8930.8 Ų30.834%0.33614%0.139SC..Hα-helixtrans-62.2-48.4177-168.7-174.4-61.115110.4111.1R183 E184 S189 F190 T191 F211R183-R187 PolarHBondContact O-N 3.27Å; E184-R187 WeakPolarHBondContact O-CB 3.19Å; E184-R187 PolarHBondContact O-N 3.09Å; E184-R187 IonicContact OE1-CZ 3.17Å; E184-R187 IonicContact OE1-NH1 3.29Å; E184-R187 PolarHBondContact OE1-NH1 2.92Å; E184-R187 IonicContact OE1-NH2 2.87Å; E184-R187 PolarHBondContact OE1-NH2 3.34Å; E184-R187 IonicContact OE2-CZ 3.25Å; E184-R187 VanDerWaalsContact OE2-CZ 3.25Å; E184-R187 IonicContact OE2-NE 3.9Å; E184-R187 IonicContact OE2-NH1 2.77Å; E184-R187 PolarHBondContact OE2-NH1 3.36Å; E184-R187 IonicContact OE2-NH2 3.21Å; R187-S189 VanDerWaalsContact C-N 3.34Å; R187-S189 PolarHBondContact O-N 3.43Å; R187-F190 WeakPolarHBondContact O-CB 3.33Å; R187-F190 PolarHBondContact O-N 2.83Å; R187-T191 PolarHBondContact O-N 3.18Å; R187-T191 PolarHBondContact O-OG1 3.35Å; R187-T191 VanDerWaalsContact O-OG1 3.08Å; R187-F211 VanDerWaalsContact CA-CE2 3.49Å; R187-F211 HydrophobicContact CB-CE2 4.07Å; R187-F211 HydrophobicContact CB-CZ 4.14Å
188L97.6Very high96Very high3 Ų324.6 Ų24.62%0.01611%0.11CC..Hα-helixtrans-56.4-46.6175.5167.460.2000111.6V164 I165 S168 W172 E184 F190 T191 M192 F450V164-L188 HydrophobicContact CG1-CD1 3.75Å; I165-L188 HydrophobicContact CG1-CD1 4.21Å; S168-L188 WeakPolarHBondContact OG-CD1 3.47Å; W172-L188 HydrophobicContact CH2-CD2 4Å; W172-L188 HydrophobicContact CZ2-CB 4.4Å; W172-L188 HydrophobicContact CZ2-CD2 4.18Å; E184-L188 WeakPolarHBondContact O-CB 3.35Å; E184-L188 PolarHBondContact O-N 2.94Å; L188-F190 VanDerWaalsContact C-N 3.33Å; L188-F190 PolarHBondContact O-N 3.32Å; L188-T191 PolarHBondContact O-N 3.18Å; L188-M192 VanDerWaalsContact O-CB 3.25Å; L188-M192 WeakPolarHBondContact O-CB 3.49Å; L188-M192 PolarHBondContact O-N 3.15Å; L188-F450 HydrophobicContact CD1-CE2 4.48Å; L188-F450 HydrophobicContact CD1-CZ 4.1Å; L188-F450 HydrophobicContact CD2-CE1 4.36Å; L188-F450 HydrophobicContact CD2-CZ 3.77Å; L188-F450 HydrophobicContact CG-CZ 3.75Å
189S97.5Very high95.6Very high2 Ų223 Ų231%0.01410%0.103CC..Hα-helixtrans-64.8-37179.2-57.40000112.3S185 Q186 R187 A193 A302S185-S189 VanDerWaalsContact O-CB 3.32Å; S185-S189 WeakPolarHBondContact O-CB 3.23Å; S185-S189 PolarHBondContact O-N 3.28Å; S185-S189 PolarHBondContact O-OG 3.46Å; Q186-S189 PolarHBondContact O-N 3.31Å; R187-S189 VanDerWaalsContact C-N 3.34Å; R187-S189 PolarHBondContact O-N 3.43Å; S189-A193 PolarHBondContact O-N 3.5Å; S189-A302 PolarHBondContact OG-N 2.85Å
190F97.5Very high95.2Very high2 Ų223.2 Ų23.21%0.00910%0.104CC..Hα-helixtrans-68-47.8175.3-173.3-110.6000112.2Q186 R187 L188 M192 A193 V194 M207 Q210 F211 F214 I294 F298Q186-F190 WeakPolarHBondContact O-CB 3.45Å; Q186-F190 PolarHBondContact O-N 2.89Å; R187-F190 WeakPolarHBondContact O-CB 3.33Å; R187-F190 PolarHBondContact O-N 2.83Å; L188-F190 VanDerWaalsContact C-N 3.33Å; L188-F190 PolarHBondContact O-N 3.32Å; F190-M192 VanDerWaalsContact C-N 3.29Å; F190-M192 PolarHBondContact O-N 3.39Å; F190-A193 PolarHBondContact O-N 2.77Å; F190-A193 VanDerWaalsContact O-N 3.15Å; F190-V194 HydrophobicContact CE1-CG2 4.27Å; F190-V194 HydrophobicContact CE2-CG2 4.31Å; F190-V194 HydrophobicContact CZ-CG2 4.12Å; F190-V194 PolarHBondContact O-N 3.02Å; F190-M207 HydrophobicContact CD1-CE 3.58Å; F190-M207 HydrophobicContact CE1-CE 3.13Å; F190-M207 HydrophobicContact CZ-CE 4.03Å; F190-Q210 HydrophobicContact CE1-CB 4.03Å; F190-Q210 HydrophobicContact CZ-CB 3.9Å; F190-F211 HydrophobicContact CB-CD2 3.79Å; F190-F211 HydrophobicContact CB-CE2 4.3Å; F190-F211 HydrophobicContact CD1-CB 3.68Å; F190-F211 AromaticContact CD1-CD2 3.8Å; F190-F211 HydrophobicContact CD1-CD2 3.8Å; F190-F211 HydrophobicContact CD1-CG 4.23Å; F190-F211 HydrophobicContact CE1-CB 3.66Å; F190-F211 VanDerWaalsContact CE1-N 3.27Å; F190-F211 HydrophobicContact CG-CB 4.48Å; F190-F211 AromaticContact CG-CD2 3.84Å; F190-F211 HydrophobicContact CG-CD2 3.84Å; F190-F214 HydrophobicContact CD2-CB 4.21Å; F190-F214 AromaticContact CD2-CD1 3.98Å; F190-F214 HydrophobicContact CD2-CD1 3.98Å; F190-F214 HydrophobicContact CD2-CG 4.01Å; F190-F214 HydrophobicContact CE2-CB 3.55Å; F190-F214 AromaticContact CE2-CD1 3.99Å; F190-F214 HydrophobicContact CE2-CD1 3.99Å; F190-F214 AromaticContact CE2-CD2 3.92Å; F190-F214 HydrophobicContact CE2-CD2 3.92Å; F190-F214 AromaticContact CE2-CG 3.53Å; F190-F214 HydrophobicContact CE2-CG 3.53Å; F190-F214 HydrophobicContact CZ-CB 4Å; F190-F214 HydrophobicContact CZ-CG 4.42Å; F190-I294 HydrophobicContact CD2-CG2 3.58Å; F190-I294 HydrophobicContact CE2-CG2 3.67Å; F190-F298 HydrophobicContact CB-CD2 3.89Å; F190-F298 HydrophobicContact CB-CE2 3.9Å; F190-F298 HydrophobicContact CD2-CD2 4.17Å; F190-F298 HydrophobicContact CD2-CE2 4.32Å; F190-F298 HydrophobicContact CG-CD2 4.48Å; F190-F298 HydrophobicContact CG-CE2 4.42Å
191T95.9Very high94.6Very high18 Ų1830 Ų3011%0.1113%0.126CC..Hα-helixtrans-59.1-42.7176-60.70000110.8V164 R187 L188 V194 R195V164-T191 HydrophobicContact CG1-CG2 3.95Å; R187-T191 PolarHBondContact O-N 3.18Å; R187-T191 PolarHBondContact O-OG1 3.35Å; R187-T191 VanDerWaalsContact O-OG1 3.08Å; L188-T191 PolarHBondContact O-N 3.18Å; T191-V194 PolarHBondContact O-N 3.14Å; T191-R195 HydrophobicContact CG2-CG 4.18Å; T191-R195 WeakPolarHBondContact O-CB 3.41Å; T191-R195 PolarHBondContact O-N 3.33Å
192M94.5Very high94Very high11 Ų1131.3 Ų31.35%0.05413%0.134CC..Hα-helixtrans-57.9-47.9173.9171.458.7-158.400111.6I161 L188 F190 V196 L197 L446 F450I161-M192 HydrophobicContact CB-SD 4.32Å; I161-M192 HydrophobicContact CD1-CE 3.86Å; I161-M192 HydrophobicContact CG1-CE 3.3Å; I161-M192 HydrophobicContact CG1-SD 3.63Å; L188-M192 VanDerWaalsContact O-CB 3.25Å; L188-M192 WeakPolarHBondContact O-CB 3.49Å; L188-M192 PolarHBondContact O-N 3.15Å; F190-M192 VanDerWaalsContact C-N 3.29Å; F190-M192 PolarHBondContact O-N 3.39Å; M192-V196 HydrophobicContact CE-CB 3.49Å; M192-V196 VanDerWaalsContact CE-CB 3.49Å; M192-V196 HydrophobicContact CE-CG1 3.53Å; M192-V196 HydrophobicContact CE-CG2 4.06Å; M192-V196 WeakPolarHBondContact O-CA 3.48Å; M192-V196 VanDerWaalsContact O-CB 3.25Å; M192-V196 WeakPolarHBondContact O-CB 3.13Å; M192-V196 PolarHBondContact O-N 2.93Å; M192-V196 HydrophobicContact SD-CB 3.47Å; M192-V196 WeakPolarHBondContact SD-CB 3.45Å; M192-V196 HydrophobicContact SD-CG1 4Å; M192-V196 HydrophobicContact SD-CG2 3.34Å; M192-V196 WeakPolarHBondContact SD-CG2 3.33Å; M192-L197 HydrophobicContact CE-CD2 4.15Å; M192-L197 HydrophobicContact CE-CG 4.38Å; M192-L197 PolarHBondContact O-N 3Å; M192-L446 HydrophobicContact CE-CD1 4.19Å; M192-F450 HydrophobicContact CB-CE2 4.12Å; M192-F450 HydrophobicContact CG-CD2 4.01Å; M192-F450 HydrophobicContact CG-CE2 3.84Å; M192-F450 HydrophobicContact SD-CD2 4.39Å; M192-F450 HydrophobicContact SD-CE2 4.4Å
193A95.4Very high93.6Very high1 Ų133.4 Ų33.41%0.00815%0.153CC..Iπ-helixtrans-61-48.317700000111.7S189 F190 L197 L198 I294 A297S189-A193 PolarHBondContact O-N 3.5Å; F190-A193 PolarHBondContact O-N 2.77Å; F190-A193 VanDerWaalsContact O-N 3.15Å; A193-L197 HydrophobicContact CB-CD1 4.34Å; A193-L197 WeakPolarHBondContact O-CA 3.38Å; A193-L197 VanDerWaalsContact O-CB 3.29Å; A193-L197 WeakPolarHBondContact O-CB 3.35Å; A193-L197 PolarHBondContact O-N 2.81Å; A193-L198 WeakPolarHBondContact O-CG 3.47Å; A193-L198 PolarHBondContact O-N 3.25Å; A193-I294 HydrophobicContact CB-CB 4.32Å; A193-I294 HydrophobicContact CB-CG1 4.03Å; A193-I294 HydrophobicContact CB-CG2 4.27Å; A193-A297 HydrophobicContact CB-CB 4.5Å
194V94.4Very high93.2Very high3 Ų332.4 Ų32.42%0.01815%0.154CC..Iπ-helixtrans-69.5-45.4-176.1174.40000112.9F190 T191 L198 G199 F200 V202 M207 I294F190-V194 HydrophobicContact CE1-CG2 4.27Å; F190-V194 HydrophobicContact CE2-CG2 4.31Å; F190-V194 HydrophobicContact CZ-CG2 4.12Å; F190-V194 PolarHBondContact O-N 3.02Å; T191-V194 PolarHBondContact O-N 3.14Å; V194-L198 WeakPolarHBondContact O-CB 3.49Å; V194-G199 PolarHBondContact O-N 3.24Å; V194-F200 HydrophobicContact CG1-CB 3.92Å; V194-F200 HydrophobicContact CG1-CD2 4.41Å; V194-F200 PolarHBondContact O-N 3.43Å; V194-V202 HydrophobicContact CG1-CG2 3.91Å; V194-M207 HydrophobicContact CB-CE 3.87Å; V194-M207 HydrophobicContact CB-SD 4.2Å; V194-M207 HydrophobicContact CG1-CE 3.79Å; V194-M207 HydrophobicContact CG1-SD 4.12Å; V194-M207 HydrophobicContact CG2-CE 3.76Å; V194-I294 HydrophobicContact CG2-CD1 4.36Å
195R91.2Very high92.9Very high64 Ų6438 Ų3824%0.24218%0.18CC..Iπ-helixtrans-82.2-39.4-176.1-67.4-172.5175.7174.1-0.3113.4E167 T191 G199 E204E167-R195 IonicContact OE2-NH1 3.48Å; E167-R195 PolarHBondContact OE2-NH1 2.94Å; T191-R195 HydrophobicContact CG2-CG 4.18Å; T191-R195 WeakPolarHBondContact O-CB 3.41Å; T191-R195 PolarHBondContact O-N 3.33Å; R195-G199 VanDerWaalsContact O-CA 3.3Å; R195-G199 WeakPolarHBondContact O-CA 3.35Å; R195-G199 PolarHBondContact O-N 2.95Å; R195-E204 IonicContact CZ-OE1 3.68Å; R195-E204 IonicContact NH1-OE1 3.9Å; R195-E204 IonicContact NH2-OE1 2.63Å; R195-E204 PolarHBondContact NH2-OE1 2.93Å
196V89.4Confident92.7Very high1 Ų141.2 Ų41.21%0.00620%0.195CC..Iπ-helixtrans-100-42.9-170.3-171.50000112Y157 K160 I161 V164 M192 D265Y157-V196 HydrophobicContact CG-CG1 4.32Å; K160-V196 HydrophobicContact CB-CB 4.35Å; K160-V196 HydrophobicContact CB-CG1 3.83Å; K160-V196 HydrophobicContact CB-CG2 3.76Å; K160-V196 HydrophobicContact CD-CG1 4.38Å; I161-V196 HydrophobicContact CG1-CG1 4.2Å; V164-V196 HydrophobicContact CG2-CG2 4.15Å; M192-V196 HydrophobicContact CE-CB 3.49Å; M192-V196 VanDerWaalsContact CE-CB 3.49Å; M192-V196 HydrophobicContact CE-CG1 3.53Å; M192-V196 HydrophobicContact CE-CG2 4.06Å; M192-V196 WeakPolarHBondContact O-CA 3.48Å; M192-V196 VanDerWaalsContact O-CB 3.25Å; M192-V196 WeakPolarHBondContact O-CB 3.13Å; M192-V196 PolarHBondContact O-N 2.93Å; M192-V196 HydrophobicContact SD-CB 3.47Å; M192-V196 WeakPolarHBondContact SD-CB 3.45Å; M192-V196 HydrophobicContact SD-CG1 4Å; M192-V196 HydrophobicContact SD-CG2 3.34Å; M192-V196 WeakPolarHBondContact SD-CG2 3.33Å; V196-D265 WeakPolarHBondContact O-CB 3.38Å
197L91.4Very high92.5Very high4 Ų440.4 Ų40.42%0.02119%0.191CC..Iπ-helixtrans-79.8-39.5178.6-55.4-177.9000111.6Y157 M192 A193 A266 L267 A297 L446Y157-L197 HydrophobicContact CD2-CD2 4.46Å; Y157-L197 HydrophobicContact CE2-CD2 4.43Å; M192-L197 HydrophobicContact CE-CD2 4.15Å; M192-L197 HydrophobicContact CE-CG 4.38Å; M192-L197 PolarHBondContact O-N 3Å; A193-L197 HydrophobicContact CB-CD1 4.34Å; A193-L197 WeakPolarHBondContact O-CA 3.38Å; A193-L197 VanDerWaalsContact O-CB 3.29Å; A193-L197 WeakPolarHBondContact O-CB 3.35Å; A193-L197 PolarHBondContact O-N 2.81Å; L197-A266 HydrophobicContact CB-CB 3.85Å; L197-A266 HydrophobicContact CD2-CB 3.98Å; L197-A266 CarbonylContact O-C 3.59Å; L197-A266 WeakPolarHBondContact O-CA 3.48Å; L197-A266 WeakPolarHBondContact O-CB 3.42Å; L197-A266 PolarHBondContact O-N 3.19Å; L197-L267 PolarHBondContact O-N 2.69Å; L197-A297 HydrophobicContact CD1-CB 4.43Å; L197-L446 HydrophobicContact CD1-CD2 4.08Å; L197-L446 HydrophobicContact CD2-CD2 3.63Å; L197-L446 HydrophobicContact CG-CD2 4.46Å
198L92.3Very high92.3Very high1 Ų144 Ų441%0.00521%0.205CC..SBendtrans-97.8-17.3-176.3-53.6174000113.1A193 V194 F200 K254 L267 T290 L293 I294A193-L198 WeakPolarHBondContact O-CG 3.47Å; A193-L198 PolarHBondContact O-N 3.25Å; V194-L198 WeakPolarHBondContact O-CB 3.49Å; L198-F200 HydrophobicContact CB-CD1 3.9Å; L198-F200 HydrophobicContact CB-CD2 3.76Å; L198-F200 HydrophobicContact CB-CE1 3.94Å; L198-F200 HydrophobicContact CB-CE2 3.81Å; L198-F200 HydrophobicContact CB-CG 3.8Å; L198-F200 HydrophobicContact CB-CZ 3.89Å; L198-F200 HydrophobicContact CD1-CD2 3.91Å; L198-F200 HydrophobicContact CD1-CE2 3.67Å; L198-F200 HydrophobicContact CD1-CZ 4.32Å; L198-F200 HydrophobicContact CG-CD2 4.5Å; L198-F200 HydrophobicContact CG-CE2 4.28Å; L198-F200 WeakPolarHBondContact O-CD1 3.39Å; L198-F200 WeakPolarHBondContact O-CE1 3.41Å; L198-F200 PolarHBondContact O-N 3.45Å; L198-K254 PolarHBondContact O-NZ 3.46Å; L198-L267 HydrophobicContact CD2-CB 4.3Å; L198-T290 HydrophobicContact CD1-CG2 3.34Å; L198-T290 HydrophobicContact CD2-CG2 3.59Å; L198-T290 HydrophobicContact CG-CG2 4.07Å; L198-L293 HydrophobicContact CD2-CD1 4.31Å; L198-I294 HydrophobicContact CD1-CD1 3.72Å; L198-I294 HydrophobicContact CD1-CG1 3.82Å
199G88.8Confident92.2Very high19 Ų1948.6 Ų48.620%0.19623%0.226CC..  trans6224.4-175.700000113.4V194 R195 D265V194-G199 PolarHBondContact O-N 3.24Å; R195-G199 VanDerWaalsContact O-CA 3.3Å; R195-G199 WeakPolarHBondContact O-CA 3.35Å; R195-G199 PolarHBondContact O-N 2.95Å; G199-D265 VanDerWaalsContact CA-OD2 3.29Å; G199-D265 WeakPolarHBondContact CA-OD2 3.5Å
200F90.1Very high92.1Very high14 Ų1449.5 Ų49.56%0.06123%0.23CC..  trans-79.5129.2-178.2-64.7-15.1000110.3V194 L198 V202 I247 A250 I251 K254 L267 T290V194-F200 HydrophobicContact CG1-CB 3.92Å; V194-F200 HydrophobicContact CG1-CD2 4.41Å; V194-F200 PolarHBondContact O-N 3.43Å; L198-F200 HydrophobicContact CB-CD1 3.9Å; L198-F200 HydrophobicContact CB-CD2 3.76Å; L198-F200 HydrophobicContact CB-CE1 3.94Å; L198-F200 HydrophobicContact CB-CE2 3.81Å; L198-F200 HydrophobicContact CB-CG 3.8Å; L198-F200 HydrophobicContact CB-CZ 3.89Å; L198-F200 HydrophobicContact CD1-CD2 3.91Å; L198-F200 HydrophobicContact CD1-CE2 3.67Å; L198-F200 HydrophobicContact CD1-CZ 4.32Å; L198-F200 HydrophobicContact CG-CD2 4.5Å; L198-F200 HydrophobicContact CG-CE2 4.28Å; L198-F200 WeakPolarHBondContact O-CD1 3.39Å; L198-F200 WeakPolarHBondContact O-CE1 3.41Å; L198-F200 PolarHBondContact O-N 3.45Å; F200-V202 HydrophobicContact CB-CG2 3.92Å; F200-V202 PolarHBondContact O-N 2.92Å; F200-I247 HydrophobicContact CE2-CG1 4.5Å; F200-I247 HydrophobicContact CE2-CG2 4.44Å; F200-I247 HydrophobicContact CZ-CG2 4.48Å; F200-A250 HydrophobicContact CB-CB 4.45Å; F200-A250 HydrophobicContact CD1-CB 3.87Å; F200-A250 HydrophobicContact CD2-CB 3.65Å; F200-A250 HydrophobicContact CE1-CB 3.93Å; F200-A250 HydrophobicContact CE2-CB 3.71Å; F200-A250 HydrophobicContact CG-CB 3.74Å; F200-A250 HydrophobicContact CZ-CB 3.87Å; F200-I251 HydrophobicContact CE1-CG1 4.25Å; F200-I251 HydrophobicContact CZ-CG1 3.86Å; F200-K254 HydrophobicContact CE1-CD 4.4Å; F200-L267 HydrophobicContact CE1-CD2 3.7Å; F200-L267 HydrophobicContact CZ-CD2 3.93Å; F200-T290 HydrophobicContact CE2-CG2 4.13Å; F200-T290 HydrophobicContact CZ-CG2 4.36Å
201R84.6Confident92.1Very high183 Ų18350 Ų5069%0.69123%0.233SC*.  trans-90102.5173.4-63.6-174.6-178.3-168.80.8108.6D262R201-D262 IonicContact NH2-OD2 3.54Å
202V86.7Confident92.1Very high27 Ų2752.1 Ų52.116%0.16425%0.248CC..  trans-123.1136.5-174.9-172.20000109.1V194 F200 E206 M207V194-V202 HydrophobicContact CG1-CG2 3.91Å; F200-V202 HydrophobicContact CB-CG2 3.92Å; F200-V202 PolarHBondContact O-N 2.92Å; V202-E206 HydrophobicContact CG1-CB 3.53Å; V202-E206 HydrophobicContact CG1-CG 3.38Å; V202-M207 HydrophobicContact CG1-CB 4.3Å
203S89.6Confident92.3Very high74 Ų7452.3 Ų52.352%0.51725%0.25SC..  trans-65.3156.3174.369.60000111.1E205 E206 M207S203-E205 PolarHBondContact O-N 3.13Å; S203-E206 PolarHBondContact O-N 3.43Å; S203-E206 WeakPolarHBondContact OG-CB 3.38Å; S203-E206 PolarHBondContact OG-N 3.29Å; S203-M207 VanDerWaalsContact O-CB 3.29Å; S203-M207 WeakPolarHBondContact O-CB 3.25Å; S203-M207 PolarHBondContact O-N 3.25Å
204E88.8Confident92.3Very high114 Ų11452.3 Ų52.353%0.53325%0.25SC..Hα-helixtrans-59.2-32.9178.5-68.9-59147.500113.2R195 R208R195-E204 IonicContact CZ-OE1 3.68Å; R195-E204 IonicContact NH1-OE1 3.9Å; R195-E204 IonicContact NH2-OE1 2.63Å; R195-E204 PolarHBondContact NH2-OE1 2.93Å; E204-R208 WeakPolarHBondContact O-CG 3.36Å; E204-R208 PolarHBondContact O-N 3.41Å; E204-R208 VanDerWaalsContact O-N 3.08Å
205E92.1Very high92.4Very high144 Ų14453.8 Ų53.867%0.67326%0.256SS*.Hα-helixtrans-67.9-50.6176.3-174.1177.6-177.800111.9S203 M207 R208 H209S203-E205 PolarHBondContact O-N 3.13Å; E205-M207 VanDerWaalsContact C-N 3.28Å; E205-M207 PolarHBondContact O-N 2.88Å; E205-R208 PolarHBondContact O-N 2.89Å; E205-H209 PolarHBondContact O-N 2.9Å
206E92.9Very high92.5Very high67 Ų6753.1 Ų53.131%0.31326%0.258SS..Hα-helixtrans-64.3-36.7177.817963.2-163.600110.6V202 S203 R208 H209 Q210V202-E206 HydrophobicContact CG1-CB 3.53Å; V202-E206 HydrophobicContact CG1-CG 3.38Å; S203-E206 PolarHBondContact O-N 3.43Å; S203-E206 WeakPolarHBondContact OG-CB 3.38Å; S203-E206 PolarHBondContact OG-N 3.29Å; E206-R208 PolarHBondContact O-N 3.06Å; E206-H209 PolarHBondContact O-N 3.2Å; E206-Q210 HydrophobicContact CG-CG 4.23Å; E206-Q210 WeakPolarHBondContact O-CB 3.28Å; E206-Q210 VanDerWaalsContact O-CG 3.24Å; E206-Q210 WeakPolarHBondContact O-CG 3.45Å; E206-Q210 PolarHBondContact O-N 2.9Å; E206-Q210 WeakPolarHBondContact OE1-CG 3.5Å; E206-Q210 PolarHBondContact OE1-NE2 2.99Å
207M93.4Very high92.9Very high7 Ų753.1 Ų53.13%0.03426%0.257CS..Hα-helixtrans-61-43.3175.9-174.182.5-72.700111.7F190 V194 V202 S203 E205 Q210 F211F190-M207 HydrophobicContact CD1-CE 3.58Å; F190-M207 HydrophobicContact CE1-CE 3.13Å; F190-M207 HydrophobicContact CZ-CE 4.03Å; V194-M207 HydrophobicContact CB-CE 3.87Å; V194-M207 HydrophobicContact CB-SD 4.2Å; V194-M207 HydrophobicContact CG1-CE 3.79Å; V194-M207 HydrophobicContact CG1-SD 4.12Å; V194-M207 HydrophobicContact CG2-CE 3.76Å; V202-M207 HydrophobicContact CG1-CB 4.3Å; S203-M207 VanDerWaalsContact O-CB 3.29Å; S203-M207 WeakPolarHBondContact O-CB 3.25Å; S203-M207 PolarHBondContact O-N 3.25Å; E205-M207 VanDerWaalsContact C-N 3.28Å; E205-M207 PolarHBondContact O-N 2.88Å; M207-Q210 HydrophobicContact CE-CB 4.47Å; M207-F211 WeakPolarHBondContact O-CB 3.3Å; M207-F211 PolarHBondContact O-N 3.35Å
208R94.2Very high93Very high165 Ų16554.1 Ų54.162%0.62326%0.264SS*.Hα-helixtrans-64.7-43.4175.3-76.3-175-63.7169.82.5112.2E204 E205 E206 F211 S212E204-R208 WeakPolarHBondContact O-CG 3.36Å; E204-R208 PolarHBondContact O-N 3.41Å; E204-R208 VanDerWaalsContact O-N 3.08Å; E205-R208 PolarHBondContact O-N 2.89Å; E206-R208 PolarHBondContact O-N 3.06Å; R208-F211 PolarHBondContact O-N 2.9Å; R208-S212 PolarHBondContact O-N 3.36Å; R208-S212 VanDerWaalsContact O-N 3.08Å
209H95.4Very high93Very high99 Ų9959.9 Ų59.946%0.45829%0.294SS..Hα-helixtrans-62.6-50.3177.4176.5-106.2000111.1E205 E206 F211 S212 T213E205-H209 PolarHBondContact O-N 2.9Å; E206-H209 PolarHBondContact O-N 3.2Å; H209-F211 VanDerWaalsContact C-N 3.31Å; H209-F211 PolarHBondContact O-N 3.34Å; H209-S212 WeakPolarHBondContact O-CB 3.5Å; H209-S212 PolarHBondContact O-N 3.36Å; H209-S212 VanDerWaalsContact O-N 3.1Å; H209-T213 PolarHBondContact O-N 3.03Å; H209-T213 PolarHBondContact O-OG1 3.38Å; H209-T213 VanDerWaalsContact O-OG1 3.09Å
210Q96.3Very high93.3Very high22 Ų2259.9 Ų59.910%0.10329%0.29CS..Hα-helixtrans-59.6-39.4177.3-71.2178.70.800112.2F190 E206 M207 T213 F214F190-Q210 HydrophobicContact CE1-CB 4.03Å; F190-Q210 HydrophobicContact CZ-CB 3.9Å; E206-Q210 HydrophobicContact CG-CG 4.23Å; E206-Q210 WeakPolarHBondContact O-CB 3.28Å; E206-Q210 VanDerWaalsContact O-CG 3.24Å; E206-Q210 WeakPolarHBondContact O-CG 3.45Å; E206-Q210 PolarHBondContact O-N 2.9Å; E206-Q210 WeakPolarHBondContact OE1-CG 3.5Å; E206-Q210 PolarHBondContact OE1-NE2 2.99Å; M207-Q210 HydrophobicContact CE-CB 4.47Å; Q210-T213 PolarHBondContact O-N 3.46Å; Q210-F214 VanDerWaalsContact O-CB 3.27Å; Q210-F214 WeakPolarHBondContact O-CB 3.42Å; Q210-F214 PolarHBondContact O-N 3.45Å
211F96.7Very high93.4Very high13 Ų1359.3 Ų59.36%0.05729%0.288CS..Hα-helixtrans-60.6-46.2174.7174.3-102.7000111.2Q186 R187 F190 M207 R208 H209 F214 Q215 F298Q186-F211 HydrophobicContact CB-CE2 4.04Å; Q186-F211 HydrophobicContact CB-CZ 4.12Å; R187-F211 VanDerWaalsContact CA-CE2 3.49Å; R187-F211 HydrophobicContact CB-CE2 4.07Å; R187-F211 HydrophobicContact CB-CZ 4.14Å; F190-F211 HydrophobicContact CB-CD2 3.79Å; F190-F211 HydrophobicContact CB-CE2 4.3Å; F190-F211 HydrophobicContact CD1-CB 3.68Å; F190-F211 AromaticContact CD1-CD2 3.8Å; F190-F211 HydrophobicContact CD1-CD2 3.8Å; F190-F211 HydrophobicContact CD1-CG 4.23Å; F190-F211 HydrophobicContact CE1-CB 3.66Å; F190-F211 VanDerWaalsContact CE1-N 3.27Å; F190-F211 HydrophobicContact CG-CB 4.48Å; F190-F211 AromaticContact CG-CD2 3.84Å; F190-F211 HydrophobicContact CG-CD2 3.84Å; M207-F211 WeakPolarHBondContact O-CB 3.3Å; M207-F211 PolarHBondContact O-N 3.35Å; R208-F211 PolarHBondContact O-N 2.9Å; H209-F211 VanDerWaalsContact C-N 3.31Å; H209-F211 PolarHBondContact O-N 3.34Å; F211-F214 PolarHBondContact O-N 3.43Å; F211-Q215 HydrophobicContact CD1-CG 4.48Å; F211-Q215 VanDerWaalsContact CE1-CD 3.41Å; F211-Q215 HydrophobicContact CE1-CG 4.1Å; F211-Q215 VanDerWaalsContact CE1-OE1 3.26Å; F211-Q215 HydrophobicContact CE2-CG 4.34Å; F211-Q215 HydrophobicContact CZ-CG 4.03Å; F211-Q215 WeakPolarHBondContact O-CG 3.38Å; F211-Q215 PolarHBondContact O-N 2.88Å; F211-F298 AromaticContact CD2-CE2 3.99Å; F211-F298 HydrophobicContact CD2-CE2 3.99Å; F211-F298 HydrophobicContact CD2-CZ 4.49Å; F211-F298 AromaticContact CE2-CE2 3.57Å; F211-F298 HydrophobicContact CE2-CE2 3.57Å; F211-F298 AromaticContact CE2-CZ 3.86Å; F211-F298 HydrophobicContact CE2-CZ 3.86Å
212S96.6Very high93.6Very high61 Ų6156.1 Ų56.143%0.42728%0.279SS..Hα-helixtrans-62.1-44.6176.9-1710000111.9R208 H209 F214 Q215 D216R208-S212 PolarHBondContact O-N 3.36Å; R208-S212 VanDerWaalsContact O-N 3.08Å; H209-S212 WeakPolarHBondContact O-CB 3.5Å; H209-S212 PolarHBondContact O-N 3.36Å; H209-S212 VanDerWaalsContact O-N 3.1Å; S212-F214 VanDerWaalsContact C-N 3.28Å; S212-F214 PolarHBondContact O-N 2.97Å; S212-Q215 PolarHBondContact O-N 3.47Å; S212-D216 PolarHBondContact O-N 3.32Å
213T97.3Very high93.8Very high16 Ų1656.1 Ų56.110%0.09828%0.28CS..Hα-helixtrans-62.1-38.4175.2-49.80000111.3H209 Q210 D216 F217 A239 T242 L243H209-T213 PolarHBondContact O-N 3.03Å; H209-T213 PolarHBondContact O-OG1 3.38Å; H209-T213 VanDerWaalsContact O-OG1 3.09Å; Q210-T213 PolarHBondContact O-N 3.46Å; T213-D216 WeakPolarHBondContact O-CB 3.43Å; T213-D216 PolarHBondContact O-N 3.09Å; T213-F217 PolarHBondContact O-N 2.9Å; T213-A239 HydrophobicContact CG2-CB 4.03Å; T213-T242 HydrophobicContact CG2-CG2 4.08Å; T213-L243 HydrophobicContact CG2-CD1 4.48Å; T213-L243 HydrophobicContact CG2-CD2 4.19Å; T213-L243 HydrophobicContact CG2-CG 3.91Å
214F96.9Very high93.8Very high0 Ų058.9 Ų58.90%029%0.288CS..Hα-helixtrans-68-37.8177.4-162.9-96.7000112.4F190 Q210 F211 S212 D216 F217 V218 L243 I294 F295 F298F190-F214 HydrophobicContact CD2-CB 4.21Å; F190-F214 AromaticContact CD2-CD1 3.98Å; F190-F214 HydrophobicContact CD2-CD1 3.98Å; F190-F214 HydrophobicContact CD2-CG 4.01Å; F190-F214 HydrophobicContact CE2-CB 3.55Å; F190-F214 AromaticContact CE2-CD1 3.99Å; F190-F214 HydrophobicContact CE2-CD1 3.99Å; F190-F214 AromaticContact CE2-CD2 3.92Å; F190-F214 HydrophobicContact CE2-CD2 3.92Å; F190-F214 AromaticContact CE2-CG 3.53Å; F190-F214 HydrophobicContact CE2-CG 3.53Å; F190-F214 HydrophobicContact CZ-CB 4Å; F190-F214 HydrophobicContact CZ-CG 4.42Å; Q210-F214 VanDerWaalsContact O-CB 3.27Å; Q210-F214 WeakPolarHBondContact O-CB 3.42Å; Q210-F214 PolarHBondContact O-N 3.45Å; F211-F214 PolarHBondContact O-N 3.43Å; S212-F214 VanDerWaalsContact C-N 3.28Å; S212-F214 PolarHBondContact O-N 2.97Å; F214-D216 VanDerWaalsContact C-N 3.32Å; F214-D216 PolarHBondContact O-N 3.23Å; F214-F217 HydrophobicContact CD2-CD1 4.42Å; F214-F217 HydrophobicContact CE2-CD1 4.02Å; F214-F217 HydrophobicContact CE2-CE1 4.4Å; F214-F217 HydrophobicContact CZ-CD1 4.28Å; F214-F217 WeakPolarHBondContact O-CB 3.34Å; F214-F217 PolarHBondContact O-N 2.95Å; F214-V218 HydrophobicContact CD1-CG2 3.85Å; F214-V218 HydrophobicContact CE1-CG2 3.42Å; F214-V218 VanDerWaalsContact CE1-CG2 3.42Å; F214-V218 HydrophobicContact CZ-CG2 3.97Å; F214-V218 WeakPolarHBondContact O-CG2 3.31Å; F214-V218 PolarHBondContact O-N 2.86Å; F214-L243 HydrophobicContact CB-CD2 4.41Å; F214-L243 HydrophobicContact CD2-CD1 3.74Å; F214-L243 HydrophobicContact CD2-CD2 4.27Å; F214-L243 HydrophobicContact CE2-CD1 4.44Å; F214-I294 HydrophobicContact CD1-CG2 4.2Å; F214-I294 HydrophobicContact CD2-CG2 3.99Å; F214-I294 HydrophobicContact CE1-CG2 3.74Å; F214-I294 HydrophobicContact CE2-CB 3.96Å; F214-I294 HydrophobicContact CE2-CG2 3.52Å; F214-I294 HydrophobicContact CG-CG2 4.32Å; F214-I294 HydrophobicContact CZ-CB 3.96Å; F214-I294 HydrophobicContact CZ-CG2 3.39Å; F214-F295 HydrophobicContact CZ-CB 4.16Å; F214-F298 HydrophobicContact CD1-CD1 4.11Å; F214-F298 AromaticContact CD1-CD2 3.88Å; F214-F298 HydrophobicContact CD1-CD2 3.88Å; F214-F298 HydrophobicContact CD1-CE1 4.22Å; F214-F298 AromaticContact CD1-CE2 3.97Å; F214-F298 HydrophobicContact CD1-CE2 3.97Å; F214-F298 AromaticContact CD1-CG 3.93Å; F214-F298 HydrophobicContact CD1-CG 3.93Å; F214-F298 HydrophobicContact CD1-CZ 4.16Å; F214-F298 HydrophobicContact CE1-CB 3.72Å; F214-F298 AromaticContact CE1-CD1 3.79Å; F214-F298 HydrophobicContact CE1-CD1 3.79Å; F214-F298 AromaticContact CE1-CD2 3.91Å; F214-F298 HydrophobicContact CE1-CD2 3.91Å; F214-F298 HydrophobicContact CE1-CE1 4.35Å; F214-F298 HydrophobicContact CE1-CE2 4.42Å; F214-F298 AromaticContact CE1-CG 3.55Å; F214-F298 HydrophobicContact CE1-CG 3.55Å
215Q95.1Very high93.9Very high35 Ų3556.7 Ų56.716%0.16428%0.284CS..Hα-helixtrans-61.1-43171.2-72.2-170.9-58.500111.2F211 S212 F217 V218 N219 F298F211-Q215 HydrophobicContact CD1-CG 4.48Å; F211-Q215 VanDerWaalsContact CE1-CD 3.41Å; F211-Q215 HydrophobicContact CE1-CG 4.1Å; F211-Q215 VanDerWaalsContact CE1-OE1 3.26Å; F211-Q215 HydrophobicContact CE2-CG 4.34Å; F211-Q215 HydrophobicContact CZ-CG 4.03Å; F211-Q215 WeakPolarHBondContact O-CG 3.38Å; F211-Q215 PolarHBondContact O-N 2.88Å; S212-Q215 PolarHBondContact O-N 3.47Å; Q215-F217 VanDerWaalsContact C-N 3.31Å; Q215-F217 PolarHBondContact O-N 2.98Å; Q215-V218 PolarHBondContact O-N 2.75Å; Q215-N219 VanDerWaalsContact O-CB 3.26Å; Q215-N219 WeakPolarHBondContact O-CB 3.37Å; Q215-N219 PolarHBondContact O-N 2.96Å; Q215-N219 PolarHBondContact O-ND2 3.09Å; Q215-N219 VanDerWaalsContact O-ND2 3.16Å; Q215-F298 HydrophobicContact CG-CZ 4.06Å
216D94.8Very high93.9Very high50 Ų5054.2 Ų54.227%0.26727%0.274SS..Hα-helixtrans-61.8-38.8174.2-83.8-15.4000112.3S212 T213 F214 N220 K235 A239S212-D216 PolarHBondContact O-N 3.32Å; T213-D216 WeakPolarHBondContact O-CB 3.43Å; T213-D216 PolarHBondContact O-N 3.09Å; F214-D216 VanDerWaalsContact C-N 3.32Å; F214-D216 PolarHBondContact O-N 3.23Å; D216-N220 PolarHBondContact O-ND2 2.86Å; D216-K235 VanDerWaalsContact CG-NZ 3.28Å; D216-K235 WeakPolarHBondContact OD1-CE 3.4Å; D216-K235 IonicContact OD1-NZ 3.65Å; D216-K235 PolarHBondContact OD1-NZ 3.35Å; D216-K235 WeakPolarHBondContact OD2-CE 3.32Å; D216-K235 IonicContact OD2-NZ 3.39Å; D216-K235 PolarHBondContact OD2-NZ 3.48Å; D216-A239 HydrophobicContact CB-CB 4.2Å
217F96.3Very high94Very high0 Ų054.6 Ų54.60%028%0.278CS..Hα-helixtrans-60.4-54.2172.7172.3-98.9000111.6L124 L125 T213 F214 Q215 N219 N220 L221 A239 R240 L243 I291L124-F217 HydrophobicContact CB-CE2 3.75Å; L124-F217 HydrophobicContact CB-CZ 4.15Å; L124-F217 HydrophobicContact CD2-CD2 4.46Å; L124-F217 HydrophobicContact CD2-CE2 4.24Å; L124-F217 HydrophobicContact CG-CE2 4.49Å; L124-F217 WeakPolarHBondContact O-CE2 3.47Å; L125-F217 HydrophobicContact CD2-CE1 4.49Å; L125-F217 HydrophobicContact CD2-CZ 4.24Å; T213-F217 PolarHBondContact O-N 2.9Å; F214-F217 HydrophobicContact CD2-CD1 4.42Å; F214-F217 HydrophobicContact CE2-CD1 4.02Å; F214-F217 HydrophobicContact CE2-CE1 4.4Å; F214-F217 HydrophobicContact CZ-CD1 4.28Å; F214-F217 WeakPolarHBondContact O-CB 3.34Å; F214-F217 PolarHBondContact O-N 2.95Å; Q215-F217 VanDerWaalsContact C-N 3.31Å; Q215-F217 PolarHBondContact O-N 2.98Å; F217-N219 PolarHBondContact O-N 3.09Å; F217-N220 PolarHBondContact O-N 3.3Å; F217-L221 HydrophobicContact CE1-CD1 4.38Å; F217-L221 HydrophobicContact CE1-CD2 4Å; F217-L221 HydrophobicContact CE1-CG 4.43Å; F217-L221 HydrophobicContact CE2-CD2 4.42Å; F217-L221 HydrophobicContact CZ-CD2 3.87Å; F217-L221 PolarHBondContact O-N 3.44Å; F217-A239 HydrophobicContact CB-CB 3.9Å; F217-R240 HydrophobicContact CD2-CB 3.95Å; F217-R240 HydrophobicContact CE2-CB 3.95Å; F217-R240 HydrophobicContact CE2-CG 4.29Å; F217-L243 HydrophobicContact CB-CD1 3.84Å; F217-L243 HydrophobicContact CD2-CD1 4.44Å; F217-L243 HydrophobicContact CG-CD1 4.08Å; F217-I291 HydrophobicContact CE1-CG2 4.08Å; F217-I291 HydrophobicContact CZ-CG2 3.84Å
218V94.2Very high94.1Very high26 Ų2658 Ų5816%0.15830%0.296CS..Hα-helixtrans-64.8-42.4-175.8173.60000112.3F214 Q215 N220 L221 F298F214-V218 HydrophobicContact CD1-CG2 3.85Å; F214-V218 HydrophobicContact CE1-CG2 3.42Å; F214-V218 VanDerWaalsContact CE1-CG2 3.42Å; F214-V218 HydrophobicContact CZ-CG2 3.97Å; F214-V218 WeakPolarHBondContact O-CG2 3.31Å; F214-V218 PolarHBondContact O-N 2.86Å; Q215-V218 PolarHBondContact O-N 2.75Å; V218-N220 PolarHBondContact O-N 3.31Å; V218-N220 VanDerWaalsContact O-N 3.08Å; V218-L221 HydrophobicContact CB-CD1 4.42Å; V218-L221 HydrophobicContact CG1-CD1 4.34Å; V218-L221 HydrophobicContact CG2-CD1 4.43Å; V218-L221 PolarHBondContact O-N 2.94Å; V218-L221 VanDerWaalsContact O-N 3.15Å; V218-F298 HydrophobicContact CG2-CD1 4.09Å; V218-F298 HydrophobicContact CG2-CE1 4.29Å
219N92.5Very high94Very high121 Ų12154.2 Ų54.265%0.64729%0.294SS*.Hα-helixtrans-62.4-18.4-179.8-73.1-23.6000113Q215 F217Q215-N219 VanDerWaalsContact O-CB 3.26Å; Q215-N219 WeakPolarHBondContact O-CB 3.37Å; Q215-N219 PolarHBondContact O-N 2.96Å; Q215-N219 PolarHBondContact O-ND2 3.09Å; Q215-N219 VanDerWaalsContact O-ND2 3.16Å; F217-N219 PolarHBondContact O-N 3.09Å
220N94.8Very high93.9Very high20 Ų2057.9 Ų57.911%0.10731%0.308CS..THydrogen-bonded Turntrans-1083.9-178.9-69.6-67.7000113.9L124 D216 F217 V218 F222 S223 G232L124-N220 WeakPolarHBondContact CD1-O 3.43Å; D216-N220 PolarHBondContact O-ND2 2.86Å; F217-N220 PolarHBondContact O-N 3.3Å; V218-N220 PolarHBondContact O-N 3.31Å; V218-N220 VanDerWaalsContact O-N 3.08Å; N220-F222 PolarHBondContact O-N 2.74Å; N220-S223 WeakPolarHBondContact O-CB 3.22Å; N220-S223 PolarHBondContact O-N 2.62Å; N220-S223 PolarHBondContact O-OG 3.07Å; N220-S223 VanDerWaalsContact O-OG 3.11Å; N220-G232 VanDerWaalsContact CB-O 3.22Å; N220-G232 WeakPolarHBondContact CB-O 3.3Å; N220-G232 VanDerWaalsContact OD1-C 3.29Å; N220-G232 WeakPolarHBondContact OD1-CA 3.43Å; N220-G232 PolarHBondContact OD1-O 2.69Å; N220-G232 VanDerWaalsContact OD1-O 3.07Å
221L91.3Very high93.8Very high1 Ų157.8 Ų57.81%0.00531%0.31CS..THydrogen-bonded Turntrans-60.9-30.7179-76.8170.6000113.9S120 T121 L124 F217 V218 F295S120-L221 CarbonylContact C-O 3.56Å; S120-L221 PolarHBondContact OG-O 3.31Å; S120-L221 VanDerWaalsContact OG-O 3.12Å; T121-L221 WeakPolarHBondContact CA-O 3.02Å; T121-L221 HydrophobicContact CG2-CD2 4.26Å; T121-L221 PolarHBondContact N-O 3.46Å; T121-L221 PolarHBondContact OG1-O 3.25Å; L124-L221 HydrophobicContact CB-CD2 3.68Å; L124-L221 HydrophobicContact CD1-CD2 3.97Å; L124-L221 HydrophobicContact CG-CD2 4.49Å; F217-L221 HydrophobicContact CE1-CD1 4.38Å; F217-L221 HydrophobicContact CE1-CD2 4Å; F217-L221 HydrophobicContact CE1-CG 4.43Å; F217-L221 HydrophobicContact CE2-CD2 4.42Å; F217-L221 HydrophobicContact CZ-CD2 3.87Å; F217-L221 PolarHBondContact O-N 3.44Å; V218-L221 HydrophobicContact CB-CD1 4.42Å; V218-L221 HydrophobicContact CG1-CD1 4.34Å; V218-L221 HydrophobicContact CG2-CD1 4.43Å; V218-L221 PolarHBondContact O-N 2.94Å; V218-L221 VanDerWaalsContact O-N 3.15Å; L221-F295 HydrophobicContact CD1-CD2 3.63Å; L221-F295 HydrophobicContact CD1-CE2 3.17Å; L221-F295 HydrophobicContact CD1-CZ 3.98Å
222F88.8Confident93.7Very high117 Ų11758.3 Ų58.351%0.51332%0.319SS..THydrogen-bonded Turntrans-107.319.4-177.5-63.3-82.3000112.8W117 P118 N220W117-F222 HydrophobicContact CZ3-CE1 4.5Å; W117-F222 HydrophobicContact CZ3-CZ 4.28Å; P118-F222 HydrophobicContact CG-CD1 3.93Å; P118-F222 HydrophobicContact CG-CE1 4.14Å; N220-F222 PolarHBondContact O-N 2.74Å
223S91Very high93.7Very high26 Ų2656.5 Ų56.518%0.18230%0.303CS..SBendtrans-69.8162.5176.370.40000111.9S120 N220 Y233S120-S223 WeakPolarHBondContact CB-O 3.29Å; S120-S223 PolarHBondContact OG-O 3.45Å; N220-S223 WeakPolarHBondContact O-CB 3.22Å; N220-S223 PolarHBondContact O-N 2.62Å; N220-S223 PolarHBondContact O-OG 3.07Å; N220-S223 VanDerWaalsContact O-OG 3.11Å; S223-Y233 VanDerWaalsContact OG-CA 3.26Å; S223-Y233 WeakPolarHBondContact OG-CA 3.39Å; S223-Y233 WeakPolarHBondContact OG-CB 3.35Å; S223-Y233 PolarHBondContact OG-N 3.22Å
224L90.3Very high93.6Very high133 Ų13358.8 Ų58.870%0.69631%0.31SS*.  trans-60.8135.5167.4-66.1177.1000109.7I226 Y233L224-I226 HydrophobicContact CB-CD1 4.3Å; L224-I226 HydrophobicContact CB-CG1 4.34Å; L224-I226 HydrophobicContact CD1-CD1 4.47Å; L224-I226 PolarHBondContact O-N 3.48Å; L224-Y233 WeakPolarHBondContact O-CB 3.15Å
225P90.5Very high93.6Very high68 Ų6863.4 Ų63.444%0.44233%0.33SS..SBendtrans-79.354.4-175.534.8-37.7000111.8Q119Q119-P225 HydrophobicContact CB-CB 4.11Å; Q119-P225 HydrophobicContact CB-CG 4.29Å; Q119-P225 HydrophobicContact CG-CB 4.16Å
226I93.2Very high93.7Very high91 Ų9161.8 Ų61.847%0.46732%0.323SS..  trans-118.4113.7-177.9-57.5174.8000107.7L224 L228 S231L224-I226 HydrophobicContact CB-CD1 4.3Å; L224-I226 HydrophobicContact CB-CG1 4.34Å; L224-I226 HydrophobicContact CD1-CD1 4.47Å; L224-I226 PolarHBondContact O-N 3.48Å; I226-L228 HydrophobicContact CG2-CD1 3.73Å; I226-L228 HydrophobicContact CG2-CG 3.86Å; I226-L228 PolarHBondContact O-N 2.73Å; I226-L228 VanDerWaalsContact O-N 3.08Å; I226-S231 WeakPolarHBondContact O-CB 3.48Å; I226-S231 PolarHBondContact O-OG 3.25Å
227D94.3Very high93.8Very high75 Ų7561.1 Ų61.140%0.40132%0.319SS..  trans-88.271.4-170.1-167.531.1000113.3Y233 R234D227-Y233 HydrophobicContact CB-CD1 3.9Å; D227-Y233 HydrophobicContact CB-CE1 4.12Å; D227-R234 VanDerWaalsContact CG-NE 3.33Å; D227-R234 PolarHBondContact O-NH2 3.4Å; D227-R234 WeakPolarHBondContact OD1-CB 3.34Å; D227-R234 IonicContact OD1-CZ 3.04Å; D227-R234 IonicContact OD1-NE 2.56Å; D227-R234 PolarHBondContact OD1-NE 2.95Å; D227-R234 IonicContact OD1-NH2 2.77Å; D227-R234 PolarHBondContact OD1-NH2 2.85Å; D227-R234 IonicContact OD2-CZ 3.24Å; D227-R234 IonicContact OD2-NE 2.63Å; D227-R234 PolarHBondContact OD2-NE 3.31Å; D227-R234 IonicContact OD2-NH2 3.11Å; D227-R234 PolarHBondContact OD2-NH2 3.34Å
228L95.1Very high93.9Very high78 Ų7867.9 Ų67.941%0.40834%0.344SS..  trans-104.7152.4176.8-66167.4000111.5I226 F230 S231 R234I226-L228 HydrophobicContact CG2-CD1 3.73Å; I226-L228 HydrophobicContact CG2-CG 3.86Å; I226-L228 PolarHBondContact O-N 2.73Å; I226-L228 VanDerWaalsContact O-N 3.08Å; L228-F230 HydrophobicContact CB-CE1 4.25Å; L228-F230 HydrophobicContact CB-CE2 4.36Å; L228-F230 HydrophobicContact CB-CZ 4.11Å; L228-F230 HydrophobicContact CD1-CE2 4.22Å; L228-F230 HydrophobicContact CD1-CZ 3.87Å; L228-F230 PolarHBondContact O-N 3.04Å; L228-S231 PolarHBondContact N-OG 3.25Å; L228-S231 WeakPolarHBondContact O-CB 3.3Å; L228-S231 PolarHBondContact O-N 3.42Å; L228-S231 PolarHBondContact O-OG 3.29Å; L228-R234 WeakPolarHBondContact O-CB 3.47Å
229P92.8Very high94Very high87 Ų8767 Ų6757%0.56534%0.339SS*.THydrogen-bonded Turntrans-53-32.8-175.6-28.735.7000115.8
230F92.7Very high94.2Very high176 Ų17663 Ų6377%0.77232%0.315SS*.THydrogen-bonded Turntrans-101.30.2-179.553.6-96.1000113.5L228L228-F230 HydrophobicContact CB-CE1 4.25Å; L228-F230 HydrophobicContact CB-CE2 4.36Å; L228-F230 HydrophobicContact CB-CZ 4.11Å; L228-F230 HydrophobicContact CD1-CE2 4.22Å; L228-F230 HydrophobicContact CD1-CZ 3.87Å; L228-F230 PolarHBondContact O-N 3.04Å
231S94.9Very high94.3Very high19 Ų1965.2 Ų65.213%0.13333%0.327CS..SBendtrans-72.8148.6-179.5690000111.5I226 L228 Y233 R234 K235I226-S231 WeakPolarHBondContact O-CB 3.48Å; I226-S231 PolarHBondContact O-OG 3.25Å; L228-S231 PolarHBondContact N-OG 3.25Å; L228-S231 WeakPolarHBondContact O-CB 3.3Å; L228-S231 PolarHBondContact O-N 3.42Å; L228-S231 PolarHBondContact O-OG 3.29Å; S231-Y233 PolarHBondContact O-N 2.99Å; S231-R234 PolarHBondContact O-N 3.47Å; S231-R234 WeakPolarHBondContact OG-CB 3.39Å; S231-R234 PolarHBondContact OG-N 3.39Å; S231-K235 PolarHBondContact O-N 2.9Å; S231-K235 VanDerWaalsContact O-N 3.16Å
232G94.9Very high94.6Very high25 Ų2567.9 Ų67.926%0.25834%0.343SS..Hα-helixtrans-57.2-35.616900000112.2N220 R234 K235 G236N220-G232 VanDerWaalsContact CB-O 3.22Å; N220-G232 WeakPolarHBondContact CB-O 3.3Å; N220-G232 VanDerWaalsContact OD1-C 3.29Å; N220-G232 WeakPolarHBondContact OD1-CA 3.43Å; N220-G232 PolarHBondContact OD1-O 2.69Å; N220-G232 VanDerWaalsContact OD1-O 3.07Å; G232-R234 PolarHBondContact O-N 2.93Å; G232-K235 WeakPolarHBondContact O-CB 3.4Å; G232-K235 PolarHBondContact O-N 3.38Å; G232-K235 VanDerWaalsContact O-N 3.15Å; G232-G236 PolarHBondContact O-N 3.03Å
233Y95.6Very high95Very high23 Ų2362.7 Ų62.79%0.0932%0.321CS..Hα-helixtrans-62.1-47.2179.2-171.5-125.7000112.7T123 S223 L224 D227 S231 K235 G236 I237T123-Y233 WeakPolarHBondContact CB-OH 2.92Å; T123-Y233 VanDerWaalsContact CG2-OH 3.27Å; T123-Y233 WeakPolarHBondContact CG2-OH 3.36Å; T123-Y233 PolarHBondContact OG1-OH 3.07Å; T123-Y233 VanDerWaalsContact OG1-OH 3.13Å; S223-Y233 VanDerWaalsContact OG-CA 3.26Å; S223-Y233 WeakPolarHBondContact OG-CA 3.39Å; S223-Y233 WeakPolarHBondContact OG-CB 3.35Å; S223-Y233 PolarHBondContact OG-N 3.22Å; L224-Y233 WeakPolarHBondContact O-CB 3.15Å; D227-Y233 HydrophobicContact CB-CD1 3.9Å; D227-Y233 HydrophobicContact CB-CE1 4.12Å; S231-Y233 PolarHBondContact O-N 2.99Å; Y233-K235 VanDerWaalsContact C-N 3.3Å; Y233-K235 PolarHBondContact O-N 3.15Å; Y233-G236 PolarHBondContact O-N 2.98Å; Y233-I237 HydrophobicContact CD1-CD1 3.97Å; Y233-I237 HydrophobicContact CE1-CD1 3.71Å; Y233-I237 HydrophobicContact CE2-CD1 4.34Å; Y233-I237 HydrophobicContact CG-CD1 4.41Å; Y233-I237 WeakPolarHBondContact O-CG1 3.33Å; Y233-I237 PolarHBondContact O-N 3.12Å
234R96.6Very high95.3Very high63 Ų6362.2 Ų62.224%0.23832%0.316CS..Hα-helixtrans-61-39.5173.5177.560.564.980.60.8111.8D227 L228 S231 G232 G236 I237 R238D227-R234 VanDerWaalsContact CG-NE 3.33Å; D227-R234 PolarHBondContact O-NH2 3.4Å; D227-R234 WeakPolarHBondContact OD1-CB 3.34Å; D227-R234 IonicContact OD1-CZ 3.04Å; D227-R234 IonicContact OD1-NE 2.56Å; D227-R234 PolarHBondContact OD1-NE 2.95Å; D227-R234 IonicContact OD1-NH2 2.77Å; D227-R234 PolarHBondContact OD1-NH2 2.85Å; D227-R234 IonicContact OD2-CZ 3.24Å; D227-R234 IonicContact OD2-NE 2.63Å; D227-R234 PolarHBondContact OD2-NE 3.31Å; D227-R234 IonicContact OD2-NH2 3.11Å; D227-R234 PolarHBondContact OD2-NH2 3.34Å; L228-R234 WeakPolarHBondContact O-CB 3.47Å; S231-R234 PolarHBondContact O-N 3.47Å; S231-R234 WeakPolarHBondContact OG-CB 3.39Å; S231-R234 PolarHBondContact OG-N 3.39Å; G232-R234 PolarHBondContact O-N 2.93Å; R234-G236 VanDerWaalsContact C-N 3.35Å; R234-I237 PolarHBondContact O-N 2.81Å; R234-R238 WeakPolarHBondContact O-CG 3.42Å; R234-R238 PolarHBondContact O-N 3.35Å
235K96.8Very high95.6Very high98 Ų9863.3 Ų63.343%0.42632%0.315SS..Hα-helixtrans-61.6-44.1175.5-172176.7176.7-169.90111.1D216 S231 G232 Y233 R238 A239D216-K235 VanDerWaalsContact CG-NZ 3.28Å; D216-K235 WeakPolarHBondContact OD1-CE 3.4Å; D216-K235 IonicContact OD1-NZ 3.65Å; D216-K235 PolarHBondContact OD1-NZ 3.35Å; D216-K235 WeakPolarHBondContact OD2-CE 3.32Å; D216-K235 IonicContact OD2-NZ 3.39Å; D216-K235 PolarHBondContact OD2-NZ 3.48Å; S231-K235 PolarHBondContact O-N 2.9Å; S231-K235 VanDerWaalsContact O-N 3.16Å; G232-K235 WeakPolarHBondContact O-CB 3.4Å; G232-K235 PolarHBondContact O-N 3.38Å; G232-K235 VanDerWaalsContact O-N 3.15Å; Y233-K235 VanDerWaalsContact C-N 3.3Å; Y233-K235 PolarHBondContact O-N 3.15Å; K235-R238 PolarHBondContact O-N 2.74Å; K235-A239 WeakPolarHBondContact O-CB 3.3Å; K235-A239 PolarHBondContact O-N 3.11Å
236G96.9Very high95.8Very high0 Ų061.4 Ų61.40%030%0.303CS..Hα-helixtrans-60.9-44.2174.100000113L124 G232 Y233 R234 A239 R240L124-G236 WeakPolarHBondContact CD2-O 3.46Å; G232-G236 PolarHBondContact O-N 3.03Å; Y233-G236 PolarHBondContact O-N 2.98Å; R234-G236 VanDerWaalsContact C-N 3.35Å; G236-A239 PolarHBondContact O-N 3.4Å; G236-R240 WeakPolarHBondContact O-CB 3.25Å; G236-R240 PolarHBondContact O-N 2.91Å
237I96.6Very high95.9Very high36 Ų3657.6 Ų57.619%0.18528%0.284CS..Hα-helixtrans-61.8-47.1177.5-69.2168.9000110.5L124 Y233 R234 A239 R240 D241L124-I237 HydrophobicContact CD2-CG1 4.11Å; Y233-I237 HydrophobicContact CD1-CD1 3.97Å; Y233-I237 HydrophobicContact CE1-CD1 3.71Å; Y233-I237 HydrophobicContact CE2-CD1 4.34Å; Y233-I237 HydrophobicContact CG-CD1 4.41Å; Y233-I237 WeakPolarHBondContact O-CG1 3.33Å; Y233-I237 PolarHBondContact O-N 3.12Å; R234-I237 PolarHBondContact O-N 2.81Å; I237-A239 VanDerWaalsContact C-N 3.32Å; I237-A239 PolarHBondContact O-N 3.42Å; I237-R240 WeakPolarHBondContact O-CB 3.44Å; I237-R240 PolarHBondContact O-N 3.29Å; I237-D241 VanDerWaalsContact O-CG 3.27Å; I237-D241 PolarHBondContact O-N 3.26Å
238R97.3Very high96Very high143 Ų14356.2 Ų56.254%0.5428%0.275SS..Hα-helixtrans-60.5-41.4177-73.4177.7174.7176.2-1.2112.5R234 K235 D241 T242R234-R238 WeakPolarHBondContact O-CG 3.42Å; R234-R238 PolarHBondContact O-N 3.35Å; K235-R238 PolarHBondContact O-N 2.74Å; R238-D241 PolarHBondContact O-N 3.19Å; R238-T242 WeakPolarHBondContact O-CB 3.41Å; R238-T242 PolarHBondContact O-N 3.41Å; R238-T242 PolarHBondContact O-OG1 2.87Å
239A97.6Very high96Very high6 Ų658.5 Ų58.55%0.0528%0.282CS..Hα-helixtrans-62.9-46.3175.300000111.1T213 D216 F217 K235 G236 I237 D241 T242 L243T213-A239 HydrophobicContact CG2-CB 4.03Å; D216-A239 HydrophobicContact CB-CB 4.2Å; F217-A239 HydrophobicContact CB-CB 3.9Å; K235-A239 WeakPolarHBondContact O-CB 3.3Å; K235-A239 PolarHBondContact O-N 3.11Å; G236-A239 PolarHBondContact O-N 3.4Å; I237-A239 VanDerWaalsContact C-N 3.32Å; I237-A239 PolarHBondContact O-N 3.42Å; A239-D241 PolarHBondContact O-N 3.01Å; A239-T242 PolarHBondContact O-N 3.35Å; A239-L243 WeakPolarHBondContact O-CB 3.37Å; A239-L243 VanDerWaalsContact O-CG 3.27Å; A239-L243 WeakPolarHBondContact O-CG 3.33Å; A239-L243 PolarHBondContact O-N 3.45Å
240R96.8Very high96Very high39 Ų3955.2 Ų55.215%0.14726%0.262CS..Hα-helixtrans-55.7-49.4174.2178.3-172.1177.4-93.12111.6L124 F217 G236 I237 T242 L243 Q244 E288L124-R240 HydrophobicContact CD2-CB 4.32Å; L124-R240 WeakPolarHBondContact O-CD 2.96Å; L124-R240 PolarHBondContact O-NE 3.48Å; F217-R240 HydrophobicContact CD2-CB 3.95Å; F217-R240 HydrophobicContact CE2-CB 3.95Å; F217-R240 HydrophobicContact CE2-CG 4.29Å; G236-R240 WeakPolarHBondContact O-CB 3.25Å; G236-R240 PolarHBondContact O-N 2.91Å; I237-R240 WeakPolarHBondContact O-CB 3.44Å; I237-R240 PolarHBondContact O-N 3.29Å; R240-T242 VanDerWaalsContact C-N 3.3Å; R240-T242 PolarHBondContact O-N 3.27Å; R240-L243 PolarHBondContact O-N 3.49Å; R240-Q244 HydrophobicContact CG-CG 4.38Å; R240-Q244 VanDerWaalsContact CZ-NE2 3.26Å; R240-Q244 VanDerWaalsContact NH2-NE2 3.12Å; R240-Q244 WeakPolarHBondContact O-CB 3.44Å; R240-Q244 WeakPolarHBondContact O-CG 3.45Å; R240-Q244 PolarHBondContact O-N 3.45Å; R240-E288 IonicContact NH2-OE1 3.26Å; R240-E288 PolarHBondContact NH2-OE1 3.44Å
241D97.2Very high96Very high66 Ų6647.5 Ų47.535%0.35323%0.228SC..Hα-helixtrans-64.6-37.7-177.3-66.5-16.1000111.7I237 R238 A239 K245I237-D241 VanDerWaalsContact O-CG 3.27Å; I237-D241 PolarHBondContact O-N 3.26Å; R238-D241 PolarHBondContact O-N 3.19Å; A239-D241 PolarHBondContact O-N 3.01Å; D241-K245 WeakPolarHBondContact O-CG 3.44Å; D241-K245 PolarHBondContact O-N 3.28Å; D241-K245 VanDerWaalsContact O-N 3.12Å
242T97.7Very high95.8Very high56 Ų5654 Ų5434%0.34425%0.25SS..Hα-helixtrans-64.8-48.8175.2-55.80000110.8T213 R238 A239 R240 Q244 K245 S246T213-T242 HydrophobicContact CG2-CG2 4.08Å; R238-T242 WeakPolarHBondContact O-CB 3.41Å; R238-T242 PolarHBondContact O-N 3.41Å; R238-T242 PolarHBondContact O-OG1 2.87Å; A239-T242 PolarHBondContact O-N 3.35Å; R240-T242 VanDerWaalsContact C-N 3.3Å; R240-T242 PolarHBondContact O-N 3.27Å; T242-Q244 PolarHBondContact O-N 3.11Å; T242-K245 PolarHBondContact O-N 3.23Å; T242-S246 PolarHBondContact O-N 2.73Å; T242-S246 VanDerWaalsContact O-N 3.12Å
243L96.8Very high95.5Very high9 Ų957 Ų575%0.04726%0.257CS..Hα-helixtrans-60.3-43.9176.8-69.5165.4000111.6T213 F214 F217 A239 R240 K245 S246 I247T213-L243 HydrophobicContact CG2-CD1 4.48Å; T213-L243 HydrophobicContact CG2-CD2 4.19Å; T213-L243 HydrophobicContact CG2-CG 3.91Å; F214-L243 HydrophobicContact CB-CD2 4.41Å; F214-L243 HydrophobicContact CD2-CD1 3.74Å; F214-L243 HydrophobicContact CD2-CD2 4.27Å; F214-L243 HydrophobicContact CE2-CD1 4.44Å; F217-L243 HydrophobicContact CB-CD1 3.84Å; F217-L243 HydrophobicContact CD2-CD1 4.44Å; F217-L243 HydrophobicContact CG-CD1 4.08Å; A239-L243 WeakPolarHBondContact O-CB 3.37Å; A239-L243 VanDerWaalsContact O-CG 3.27Å; A239-L243 WeakPolarHBondContact O-CG 3.33Å; A239-L243 PolarHBondContact O-N 3.45Å; R240-L243 PolarHBondContact O-N 3.49Å; L243-K245 VanDerWaalsContact C-N 3.3Å; L243-K245 PolarHBondContact O-N 2.97Å; L243-S246 PolarHBondContact O-N 3.13Å; L243-I247 HydrophobicContact CB-CD1 4.45Å; L243-I247 WeakPolarHBondContact O-CB 3.26Å; L243-I247 WeakPolarHBondContact O-CD1 3.42Å; L243-I247 WeakPolarHBondContact O-CG1 3.27Å; L243-I247 PolarHBondContact O-N 2.83Å
244Q96.6Very high95.1Very high15 Ų1557 Ų577%0.0726%0.258CS..Hα-helixtrans-61.3-38.3178.5-77.4-167.8-13.900112.1R240 T242 E248 K287 I291R240-Q244 HydrophobicContact CG-CG 4.38Å; R240-Q244 VanDerWaalsContact CZ-NE2 3.26Å; R240-Q244 VanDerWaalsContact NH2-NE2 3.12Å; R240-Q244 WeakPolarHBondContact O-CB 3.44Å; R240-Q244 WeakPolarHBondContact O-CG 3.45Å; R240-Q244 PolarHBondContact O-N 3.45Å; T242-Q244 PolarHBondContact O-N 3.11Å; Q244-E248 VanDerWaalsContact O-CB 3.31Å; Q244-E248 WeakPolarHBondContact O-CB 3.3Å; Q244-E248 PolarHBondContact O-N 3.35Å; Q244-K287 HydrophobicContact CB-CD 4.15Å; Q244-K287 HydrophobicContact CG-CB 4.4Å; Q244-K287 WeakPolarHBondContact O-CD 3.28Å; Q244-I291 HydrophobicContact CG-CD1 3.5Å; Q244-I291 VanDerWaalsContact CG-CD1 3.5Å
245K96.8Very high94.3Very high156 Ų15658.4 Ų58.468%0.67828%0.275SS*.Hα-helixtrans-64.9-46.6174.9-72.3172-176.3179.40111.9D241 T242 L243 E248 K249D241-K245 WeakPolarHBondContact O-CG 3.44Å; D241-K245 PolarHBondContact O-N 3.28Å; D241-K245 VanDerWaalsContact O-N 3.12Å; T242-K245 PolarHBondContact O-N 3.23Å; L243-K245 VanDerWaalsContact C-N 3.3Å; L243-K245 PolarHBondContact O-N 2.97Å; K245-E248 PolarHBondContact O-N 2.9Å; K245-K249 PolarHBondContact O-N 3.48Å; K245-K249 VanDerWaalsContact O-N 3.08Å
246S94.9Very high93.3Very high29 Ų2960.8 Ų60.820%0.20329%0.291CS..Hα-helixtrans-64.2-41178-63.10000112T242 L243 K249 A250T242-S246 PolarHBondContact O-N 2.73Å; T242-S246 VanDerWaalsContact O-N 3.12Å; L243-S246 PolarHBondContact O-N 3.13Å; S246-K249 PolarHBondContact O-N 2.75Å; S246-A250 WeakPolarHBondContact O-CB 3.41Å; S246-A250 PolarHBondContact O-N 3.4Å
247I95.6Very high91.8Very high11 Ų1163.7 Ų63.76%0.05631%0.311CS..Hα-helixtrans-64.6-44.2176.2-69.7163.5000110.8F200 L243 K249 A250 I251 K287 T290 I291F200-I247 HydrophobicContact CE2-CG1 4.5Å; F200-I247 HydrophobicContact CE2-CG2 4.44Å; F200-I247 HydrophobicContact CZ-CG2 4.48Å; L243-I247 HydrophobicContact CB-CD1 4.45Å; L243-I247 WeakPolarHBondContact O-CB 3.26Å; L243-I247 WeakPolarHBondContact O-CD1 3.42Å; L243-I247 WeakPolarHBondContact O-CG1 3.27Å; L243-I247 PolarHBondContact O-N 2.83Å; I247-K249 VanDerWaalsContact C-N 3.3Å; I247-K249 PolarHBondContact O-N 3.29Å; I247-A250 PolarHBondContact O-N 3.28Å; I247-I251 HydrophobicContact CG2-CD1 3.57Å; I247-I251 HydrophobicContact CG2-CG1 4.15Å; I247-I251 VanDerWaalsContact O-CG1 3.25Å; I247-I251 WeakPolarHBondContact O-CG1 3.49Å; I247-I251 PolarHBondContact O-N 3.04Å; I247-K287 HydrophobicContact CG2-CB 4.45Å; I247-K287 HydrophobicContact CG2-CG 4.07Å; I247-T290 HydrophobicContact CB-CG2 4.47Å; I247-T290 HydrophobicContact CD1-CG2 3.83Å; I247-T290 HydrophobicContact CG1-CG2 3.95Å; I247-T290 HydrophobicContact CG2-CG2 3.65Å; I247-I291 HydrophobicContact CD1-CD1 4.1Å; I247-I291 HydrophobicContact CD1-CG1 3.41Å; I247-I291 VanDerWaalsContact CD1-CG1 3.41Å
248E96.1Very high90.1Very high46 Ų4665.1 Ų65.122%0.21532%0.324CS..Hα-helixtrans-57.9-45.3177.6-167163.3152.800111.8Q244 K245 R252 M283 K287Q244-E248 VanDerWaalsContact O-CB 3.31Å; Q244-E248 WeakPolarHBondContact O-CB 3.3Å; Q244-E248 PolarHBondContact O-N 3.35Å; K245-E248 PolarHBondContact O-N 2.9Å; E248-R252 WeakPolarHBondContact O-CG 3.41Å; E248-R252 PolarHBondContact O-N 2.72Å; E248-R252 VanDerWaalsContact O-N 3.15Å; E248-R252 IonicContact OE1-CZ 2.73Å; E248-R252 IonicContact OE1-NE 3.54Å; E248-R252 IonicContact OE1-NH2 2.67Å; E248-R252 PolarHBondContact OE1-NH2 2.91Å; E248-M283 HydrophobicContact CG-CG 4.02Å; E248-M283 HydrophobicContact CG-SD 3.93Å; E248-K287 HydrophobicContact CB-CD 3.86Å; E248-K287 HydrophobicContact CG-CD 4.31Å; E248-K287 IonicContact OE2-NZ 3.49Å; E248-K287 PolarHBondContact OE2-NZ 3.48Å
249K94.2Very high87.9Confident126 Ų12666.7 Ų66.755%0.54834%0.338SS..Hα-helixtrans-59.2-51175.1-179-176.1172.7-173.30110.8K245 S246 I247 I251 R252 E253K245-K249 PolarHBondContact O-N 3.48Å; K245-K249 VanDerWaalsContact O-N 3.08Å; S246-K249 PolarHBondContact O-N 2.75Å; I247-K249 VanDerWaalsContact C-N 3.3Å; I247-K249 PolarHBondContact O-N 3.29Å; K249-I251 PolarHBondContact O-N 3.3Å; K249-R252 PolarHBondContact O-N 3.19Å; K249-R252 VanDerWaalsContact O-N 3.15Å; K249-E253 WeakPolarHBondContact CE-OE1 3.5Å; K249-E253 WeakPolarHBondContact CE-OE2 3.41Å; K249-E253 HydrophobicContact CG-CG 4.47Å; K249-E253 WeakPolarHBondContact CG-OE1 3.45Å; K249-E253 IonicContact NZ-OE1 3.92Å; K249-E253 WeakPolarHBondContact O-CG 3.48Å; K249-E253 PolarHBondContact O-N 3.41Å
250A92.6Very high85.7Confident17 Ų1769.6 Ų69.614%0.1437%0.368CS..Hα-helixtrans-61.2-40.9-178.700000112.9F200 S246 I247 R252 E253 K254F200-A250 HydrophobicContact CB-CB 4.45Å; F200-A250 HydrophobicContact CD1-CB 3.87Å; F200-A250 HydrophobicContact CD2-CB 3.65Å; F200-A250 HydrophobicContact CE1-CB 3.93Å; F200-A250 HydrophobicContact CE2-CB 3.71Å; F200-A250 HydrophobicContact CG-CB 3.74Å; F200-A250 HydrophobicContact CZ-CB 3.87Å; S246-A250 WeakPolarHBondContact O-CB 3.41Å; S246-A250 PolarHBondContact O-N 3.4Å; I247-A250 PolarHBondContact O-N 3.28Å; A250-R252 VanDerWaalsContact C-N 3.33Å; A250-R252 PolarHBondContact O-N 2.75Å; A250-E253 PolarHBondContact O-N 2.88Å; A250-K254 WeakPolarHBondContact O-CB 3.49Å; A250-K254 PolarHBondContact O-N 2.69Å
251I92.6Very high83.4Confident14 Ų1478.2 Ų78.27%0.07241%0.407CS..Hα-helixtrans-61.4-42175.9-68.2168.4000110.9F200 I247 K249 P255 L267 M283 L286 K287F200-I251 HydrophobicContact CE1-CG1 4.25Å; F200-I251 HydrophobicContact CZ-CG1 3.86Å; I247-I251 HydrophobicContact CG2-CD1 3.57Å; I247-I251 HydrophobicContact CG2-CG1 4.15Å; I247-I251 VanDerWaalsContact O-CG1 3.25Å; I247-I251 WeakPolarHBondContact O-CG1 3.49Å; I247-I251 PolarHBondContact O-N 3.04Å; K249-I251 PolarHBondContact O-N 3.3Å; I251-P255 WeakPolarHBondContact O-CD 3.42Å; I251-L267 HydrophobicContact CG1-CD2 4.12Å; I251-M283 HydrophobicContact CB-SD 4.47Å; I251-M283 HydrophobicContact CD1-SD 4.19Å; I251-M283 HydrophobicContact CG2-CE 3.94Å; I251-M283 HydrophobicContact CG2-SD 4.17Å; I251-L286 HydrophobicContact CD1-CB 3.92Å; I251-L286 HydrophobicContact CG2-CD1 4.41Å; I251-K287 HydrophobicContact CD1-CG 4.47Å
252R92.1Very high81.2Confident157 Ų15779.7 Ų79.759%0.59242%0.415SS*.Hα-helixtrans-70.2-33.8179.7-70.1176.7-175.3-160.43113E248 K249 A250 M283E248-R252 WeakPolarHBondContact O-CG 3.41Å; E248-R252 PolarHBondContact O-N 2.72Å; E248-R252 VanDerWaalsContact O-N 3.15Å; E248-R252 IonicContact OE1-CZ 2.73Å; E248-R252 IonicContact OE1-NE 3.54Å; E248-R252 IonicContact OE1-NH2 2.67Å; E248-R252 PolarHBondContact OE1-NH2 2.91Å; K249-R252 PolarHBondContact O-N 3.19Å; K249-R252 VanDerWaalsContact O-N 3.15Å; A250-R252 VanDerWaalsContact C-N 3.33Å; A250-R252 PolarHBondContact O-N 2.75Å; R252-M283 HydrophobicContact CG-CE 4.23Å
253E89.3Confident79.1Confident87 Ų8783.9 Ų83.941%0.40743%0.425SS..Hα-helixtrans-81.4-27.5-178.8-70.9173.2170.700112.7K249 A250 L256 C257K249-E253 WeakPolarHBondContact CE-OE1 3.5Å; K249-E253 WeakPolarHBondContact CE-OE2 3.41Å; K249-E253 HydrophobicContact CG-CG 4.47Å; K249-E253 WeakPolarHBondContact CG-OE1 3.45Å; K249-E253 IonicContact NZ-OE1 3.92Å; K249-E253 WeakPolarHBondContact O-CG 3.48Å; K249-E253 PolarHBondContact O-N 3.41Å; A250-E253 PolarHBondContact O-N 2.88Å; E253-L256 WeakPolarHBondContact O-CB 3.34Å; E253-L256 PolarHBondContact O-N 3.12Å; E253-C257 PolarHBondContact O-N 2.99Å
254K85.8Confident78Confident23 Ų2385.6 Ų85.610%0.144%0.438CS..G310 helixtrans-51.1-46.6-176179.5-174.3175.776.80114.4L198 F200 A250 L256 C257 S258 D265 L267 D268L198-K254 PolarHBondContact O-NZ 3.46Å; F200-K254 HydrophobicContact CE1-CD 4.4Å; A250-K254 WeakPolarHBondContact O-CB 3.49Å; A250-K254 PolarHBondContact O-N 2.69Å; K254-L256 VanDerWaalsContact C-N 3.28Å; K254-L256 PolarHBondContact O-N 3.4Å; K254-C257 PolarHBondContact O-N 3.09Å; K254-S258 PolarHBondContact O-N 2.86Å; K254-S258 PolarHBondContact O-OG 3.25Å; K254-D265 IonicContact NZ-OD1 2.7Å; K254-D265 PolarHBondContact NZ-OD1 3.44Å; K254-D265 IonicContact NZ-OD2 3.21Å; K254-D265 PolarHBondContact NZ-OD2 2.98Å; K254-L267 HydrophobicContact CD-CD2 4.27Å; K254-D268 WeakPolarHBondContact CE-OD1 3.4Å; K254-D268 WeakPolarHBondContact CE-OD2 3.45Å; K254-D268 IonicContact NZ-OD1 3.96Å; K254-D268 IonicContact NZ-OD2 3.99Å; K254-D268 PolarHBondContact NZ-OD2 3.45Å
255P81.1Confident77.7Confident93 Ų9385.2 Ų85.260%0.60444%0.437SS*.G310 helixtrans-63.8-30.6177.1-22.134000113.7I251 C257 S258I251-P255 WeakPolarHBondContact O-CD 3.42Å; P255-C257 VanDerWaalsContact C-N 3.33Å; P255-S258 PolarHBondContact O-N 3.5Å
256L75.6Confident77.4Confident147 Ų14777.8 Ų77.877%0.7740%0.404SS*.G310 helixtrans-74.3-27.1-178.5-55.7175.1000112.2E253 K254E253-L256 WeakPolarHBondContact O-CB 3.34Å; E253-L256 PolarHBondContact O-N 3.12Å; K254-L256 VanDerWaalsContact C-N 3.28Å; K254-L256 PolarHBondContact O-N 3.4Å
257C64.4Low77.3Confident61 Ų6176.5 Ų76.541%0.41240%0.395SS..G310 helixtrans-92.8-2.3179.6-61.10000113.5E253 K254 P255 Q259E253-C257 PolarHBondContact O-N 2.99Å; K254-C257 PolarHBondContact O-N 3.09Å; P255-C257 VanDerWaalsContact C-N 3.33Å; C257-Q259 PolarHBondContact O-N 2.94Å
258S62.1Low77.1Confident66 Ų6678.5 Ų78.546%0.46241%0.406SS..  trans-85.4100.3-178.1-610000109.9K254 P255K254-S258 PolarHBondContact O-N 2.86Å; K254-S258 PolarHBondContact O-OG 3.25Å; P255-S258 PolarHBondContact O-N 3.5Å
259Q50.9Low76.9Confident177 Ų17776.8 Ų76.883%0.82740%0.398SS*.  trans-96.9100.7169.7-69.4-158.4-1.200109.7C257C257-Q259 PolarHBondContact O-N 2.94Å
260G51.6Low76.8Confident67 Ų6770.8 Ų70.869%0.69137%0.372SS*.SBendtrans82.6-175176.200000115.1D262G260-D262 PolarHBondContact O-N 2.82Å
261K46.6Very low76.8Confident220 Ų22073 Ų7396%0.95738%0.38SS*.SBendtrans-70.751.1176.8-68.6-177.2176.8-179.90111.7Y263K261-Y263 PolarHBondContact O-N 3.03Å
262D51.6Low76.7Confident96 Ų9677 Ų7751%0.51340%0.399SS..  trans-61.1131.8168.5-100.5-14.5000108.3R201 G260 S264R201-D262 IonicContact NH2-OD2 3.54Å; G260-D262 PolarHBondContact O-N 2.82Å; D262-S264 PolarHBondContact O-N 3.18Å
263Y54.1Low76.7Confident144 Ų14469.6 Ų69.657%0.56537%0.372SS*.  trans-36.7122.1-173.8-60.5-90.3000113.8K160 K261 D265K160-Y263 PolarHBondContact NZ-O 3.06Å; K261-Y263 PolarHBondContact O-N 3.03Å; Y263-D265 PolarHBondContact O-N 3.12Å
264S74.1Confident76.9Confident46 Ų4665.5 Ų65.532%0.32235%0.353SS..  trans-53.4126.4176.2-170.40000110.3S156 Y157 D262 V269S156-S264 PolarHBondContact OG-O 3.34Å; Y157-S264 VanDerWaalsContact CE1-O 3.29Å; Y157-S264 WeakPolarHBondContact CE1-O 3.49Å; D262-S264 PolarHBondContact O-N 3.18Å; S264-V269 VanDerWaalsContact OG-CG2 3.24Å; S264-V269 WeakPolarHBondContact OG-CG2 3.32Å
265D88.8Confident77.1Confident7 Ų771 Ų714%0.03738%0.377CS..  trans-94.1176171.353.270.9000112.2V196 G199 K254 Y263 L267 D268 V269V196-D265 WeakPolarHBondContact O-CB 3.38Å; G199-D265 VanDerWaalsContact CA-OD2 3.29Å; G199-D265 WeakPolarHBondContact CA-OD2 3.5Å; K254-D265 IonicContact NZ-OD1 2.7Å; K254-D265 PolarHBondContact NZ-OD1 3.44Å; K254-D265 IonicContact NZ-OD2 3.21Å; K254-D265 PolarHBondContact NZ-OD2 2.98Å; Y263-D265 PolarHBondContact O-N 3.12Å; D265-L267 VanDerWaalsContact C-N 3.26Å; D265-L267 PolarHBondContact O-N 2.98Å; D265-L267 WeakPolarHBondContact OD1-CB 3.48Å; D265-L267 PolarHBondContact OD1-N 3.04Å; D265-D268 PolarHBondContact O-N 3.46Å; D265-D268 PolarHBondContact OD1-N 2.95Å; D265-V269 WeakPolarHBondContact O-CG2 3.35Å; D265-V269 PolarHBondContact O-N 2.77Å
266A91.4Very high77.6Confident0 Ų072.2 Ų72.20%037%0.374CS..Hα-helixtrans-59.6-34.2-176.700000113.5V148 Y157 L197 L270V148-A266 HydrophobicContact CB-CB 4.45Å; V148-A266 HydrophobicContact CG1-CB 3.26Å; V148-A266 WeakPolarHBondContact CG2-O 3.29Å; Y157-A266 WeakPolarHBondContact OH-CA 3.42Å; Y157-A266 PolarHBondContact OH-N 3.23Å; L197-A266 HydrophobicContact CB-CB 3.85Å; L197-A266 HydrophobicContact CD2-CB 3.98Å; L197-A266 CarbonylContact O-C 3.59Å; L197-A266 WeakPolarHBondContact O-CA 3.48Å; L197-A266 WeakPolarHBondContact O-CB 3.42Å; L197-A266 PolarHBondContact O-N 3.19Å; A266-L270 WeakPolarHBondContact O-CB 3.34Å; A266-L270 PolarHBondContact O-N 2.75Å
267L92.6Very high78.3Confident1 Ų167.7 Ų67.71%0.00535%0.351CS..Hα-helixtrans-70.1-42.7177.9-178.561000111.2L197 L198 F200 I251 K254 D265 L270 M271 L286L197-L267 PolarHBondContact O-N 2.69Å; L198-L267 HydrophobicContact CD2-CB 4.3Å; F200-L267 HydrophobicContact CE1-CD2 3.7Å; F200-L267 HydrophobicContact CZ-CD2 3.93Å; I251-L267 HydrophobicContact CG1-CD2 4.12Å; K254-L267 HydrophobicContact CD-CD2 4.27Å; D265-L267 VanDerWaalsContact C-N 3.26Å; D265-L267 PolarHBondContact O-N 2.98Å; D265-L267 WeakPolarHBondContact OD1-CB 3.48Å; D265-L267 PolarHBondContact OD1-N 3.04Å; L267-L270 WeakPolarHBondContact O-CB 3.46Å; L267-L270 PolarHBondContact O-N 3.43Å; L267-M271 HydrophobicContact CD1-SD 4.48Å; L267-M271 HydrophobicContact CG-SD 4.28Å; L267-M271 VanDerWaalsContact O-CG 3.32Å; L267-M271 WeakPolarHBondContact O-CG 3.35Å; L267-M271 PolarHBondContact O-N 3.42Å; L267-L286 HydrophobicContact CD1-CD2 4.19Å
268D91.1Very high79.4Confident53 Ų5368.3 Ų68.328%0.28337%0.367SS..Hα-helixtrans-63.8-45.9176.1-68-35.4000111.7K254 D265 L270 M271 E272K254-D268 WeakPolarHBondContact CE-OD1 3.4Å; K254-D268 WeakPolarHBondContact CE-OD2 3.45Å; K254-D268 IonicContact NZ-OD1 3.96Å; K254-D268 IonicContact NZ-OD2 3.99Å; K254-D268 PolarHBondContact NZ-OD2 3.45Å; D265-D268 PolarHBondContact O-N 3.46Å; D265-D268 PolarHBondContact OD1-N 2.95Å; D268-L270 VanDerWaalsContact C-N 3.29Å; D268-L270 PolarHBondContact O-N 2.89Å; D268-M271 PolarHBondContact O-N 3Å; D268-E272 PolarHBondContact O-N 2.93Å
269V92.1Very high80.5Confident10 Ų1068.2 Ų68.26%0.06136%0.364CS..Hα-helixtrans-59.9-39.6174.41760000111.3K147 V148 S264 D265 S273K147-V269 HydrophobicContact CB-CG1 3.94Å; K147-V269 HydrophobicContact CD-CG1 4.12Å; K147-V269 HydrophobicContact CG-CG1 3.77Å; V148-V269 HydrophobicContact CG2-CB 4.45Å; V148-V269 HydrophobicContact CG2-CG1 4.27Å; S264-V269 VanDerWaalsContact OG-CG2 3.24Å; S264-V269 WeakPolarHBondContact OG-CG2 3.32Å; D265-V269 WeakPolarHBondContact O-CG2 3.35Å; D265-V269 PolarHBondContact O-N 2.77Å; V269-S273 VanDerWaalsContact O-CB 3.24Å; V269-S273 WeakPolarHBondContact O-CB 3.44Å; V269-S273 PolarHBondContact O-N 2.92Å
270L93Very high82.3Confident0 Ų067.7 Ų67.70%036%0.361CS..Hα-helixtrans-64.2-45.9177.7-177.473.2000111.3V144 F145 V148 A266 L267 D268 S273 A274 L281V144-L270 HydrophobicContact CG1-CD1 3.78Å; F145-L270 HydrophobicContact CB-CD1 4.39Å; F145-L270 HydrophobicContact CD1-CD1 4.19Å; F145-L270 HydrophobicContact CD2-CD1 3.52Å; F145-L270 HydrophobicContact CE1-CD1 4.41Å; F145-L270 HydrophobicContact CE2-CD1 3.77Å; F145-L270 HydrophobicContact CE2-CD2 4.35Å; F145-L270 HydrophobicContact CG-CD1 3.76Å; F145-L270 HydrophobicContact CZ-CD1 4.23Å; F145-L270 HydrophobicContact CZ-CD2 4.23Å; V148-L270 HydrophobicContact CG2-CB 3.9Å; V148-L270 HydrophobicContact CG2-CD1 4.17Å; A266-L270 WeakPolarHBondContact O-CB 3.34Å; A266-L270 PolarHBondContact O-N 2.75Å; L267-L270 WeakPolarHBondContact O-CB 3.46Å; L267-L270 PolarHBondContact O-N 3.43Å; D268-L270 VanDerWaalsContact C-N 3.29Å; D268-L270 PolarHBondContact O-N 2.89Å; L270-S273 PolarHBondContact O-N 3.39Å; L270-A274 WeakPolarHBondContact O-CB 3.29Å; L270-A274 PolarHBondContact O-N 3.45Å; L270-L281 HydrophobicContact CD2-CD1 4.2Å; L270-L281 HydrophobicContact CG-CD1 4.12Å
271M92.1Very high84.2Confident63 Ų6366 Ų6631%0.3134%0.337SS..Hα-helixtrans-64.3-41.6178.9-72.5175.663.600111.8L267 D268 K275 L286L267-M271 HydrophobicContact CD1-SD 4.48Å; L267-M271 HydrophobicContact CG-SD 4.28Å; L267-M271 VanDerWaalsContact O-CG 3.32Å; L267-M271 WeakPolarHBondContact O-CG 3.35Å; L267-M271 PolarHBondContact O-N 3.42Å; D268-M271 PolarHBondContact O-N 3Å; M271-K275 WeakPolarHBondContact O-CG 3.16Å; M271-K275 PolarHBondContact O-N 3.09Å; M271-L286 HydrophobicContact CG-CD2 3.76Å; M271-L286 HydrophobicContact SD-CD2 4.25Å
272E91.3Very high86.5Confident98 Ų9858.2 Ų58.246%0.45831%0.309SS..Hα-helixtrans-64.6-47.8174.2-173.7-173.2-137.800111.3K147 D268 A274 K275 E276K147-E272 IonicContact NZ-OE2 3.72Å; K147-E272 PolarHBondContact NZ-OE2 3.14Å; D268-E272 PolarHBondContact O-N 2.93Å; E272-A274 VanDerWaalsContact C-N 3.26Å; E272-A274 PolarHBondContact O-N 2.91Å; E272-K275 WeakPolarHBondContact O-CB 3.32Å; E272-K275 PolarHBondContact O-N 3.42Å; E272-K275 VanDerWaalsContact O-N 3.09Å; E272-E276 WeakPolarHBondContact O-CG 3.43Å; E272-E276 PolarHBondContact O-N 3.2Å
273S92.2Very high88.6Confident3 Ų356.5 Ų56.52%0.02130%0.299CS..Hα-helixtrans-62.1-35179.6-1670000112.6V144 V269 L270 E276 N277V144-S273 WeakPolarHBondContact O-CB 3.48Å; V144-S273 PolarHBondContact O-OG 3.43Å; V269-S273 VanDerWaalsContact O-CB 3.24Å; V269-S273 WeakPolarHBondContact O-CB 3.44Å; V269-S273 PolarHBondContact O-N 2.92Å; L270-S273 PolarHBondContact O-N 3.39Å; S273-E276 PolarHBondContact O-N 2.87Å; S273-N277 PolarHBondContact O-N 3.49Å; S273-N277 VanDerWaalsContact O-N 3.12Å; S273-N277 PolarHBondContact O-ND2 2.79Å
274A91.6Very high90.6Very high1 Ų152.6 Ų52.61%0.00829%0.286CS..Hα-helixtrans-60.9-47174.400000110.9V144 L270 E272 E276 N277 G278 T279 L281V144-A274 HydrophobicContact CG1-CB 3.91Å; L270-A274 WeakPolarHBondContact O-CB 3.29Å; L270-A274 PolarHBondContact O-N 3.45Å; E272-A274 VanDerWaalsContact C-N 3.26Å; E272-A274 PolarHBondContact O-N 2.91Å; A274-E276 PolarHBondContact O-N 3.03Å; A274-N277 CarbonylContact O-C 3.56Å; A274-N277 PolarHBondContact O-N 2.92Å; A274-N277 VanDerWaalsContact O-N 3.14Å; A274-G278 PolarHBondContact O-N 3.33Å; A274-T279 CarbonylContact C-O 3.55Å; A274-T279 WeakPolarHBondContact CB-O 3.23Å; A274-T279 CarbonylContact O-C 3.57Å; A274-T279 PolarHBondContact O-N 3.22Å; A274-T279 PolarHBondContact O-OG1 2.85Å; A274-L281 HydrophobicContact CB-CD1 3.94Å; A274-L281 HydrophobicContact CB-CD2 4.35Å; A274-L281 HydrophobicContact CB-CG 3.74Å
275K91.4Very high91.6Very high139 Ų13952.3 Ų52.360%0.60428%0.279SS*.Hα-helixtrans-61.6-44.1178-69.5176.4-179.3-178.80111.8M271 E272 N277 G278 T279M271-K275 WeakPolarHBondContact O-CG 3.16Å; M271-K275 PolarHBondContact O-N 3.09Å; E272-K275 WeakPolarHBondContact O-CB 3.32Å; E272-K275 PolarHBondContact O-N 3.42Å; E272-K275 VanDerWaalsContact O-N 3.09Å; K275-N277 PolarHBondContact O-N 2.74Å; K275-G278 PolarHBondContact O-N 2.98Å; K275-T279 PolarHBondContact N-O 3.42Å
276E91Very high91.9Very high117 Ų11752.5 Ų52.555%0.54728%0.28SS..Hα-helixtrans-60.2-29.6175.8-70.7174.1163.900113.2K147 E272 S273 A274 G278K147-E276 IonicContact NZ-OE1 2.73Å; K147-E276 PolarHBondContact NZ-OE1 3.44Å; K147-E276 IonicContact NZ-OE2 3.44Å; K147-E276 PolarHBondContact NZ-OE2 3.3Å; E272-E276 WeakPolarHBondContact O-CG 3.43Å; E272-E276 PolarHBondContact O-N 3.2Å; S273-E276 PolarHBondContact O-N 2.87Å; A274-E276 PolarHBondContact O-N 3.03Å; E276-G278 VanDerWaalsContact C-N 3.3Å
277N90.4Very high92.2Very high53 Ų5353.5 Ų53.528%0.28329%0.285SS..THydrogen-bonded Turntrans-91.513.7175.9-72.9-87.1000113.1K143 V144 S273 A274 K275K143-N277 WeakPolarHBondContact CD-OD1 3.19Å; K143-N277 VanDerWaalsContact CE-OD1 3.27Å; K143-N277 WeakPolarHBondContact CE-OD1 3.45Å; K143-N277 PolarHBondContact NZ-OD1 3.49Å; V144-N277 HydrophobicContact CG2-CB 4.02Å; S273-N277 PolarHBondContact O-N 3.49Å; S273-N277 VanDerWaalsContact O-N 3.12Å; S273-N277 PolarHBondContact O-ND2 2.79Å; A274-N277 CarbonylContact O-C 3.56Å; A274-N277 PolarHBondContact O-N 2.92Å; A274-N277 VanDerWaalsContact O-N 3.14Å; K275-N277 PolarHBondContact O-N 2.74Å
278G87.1Confident92.3Very high73 Ų7353.6 Ų53.675%0.75329%0.285SS*.THydrogen-bonded Turntrans72.825.5175.600000114A274 K275 E276A274-G278 PolarHBondContact O-N 3.33Å; K275-G278 PolarHBondContact O-N 2.98Å; E276-G278 VanDerWaalsContact C-N 3.3Å
279T86.1Confident92.5Very high64 Ų6451 Ų5139%0.39327%0.272SS..  trans-126.8137.1-179.453.10000111.3A274 K275A274-T279 CarbonylContact C-O 3.55Å; A274-T279 WeakPolarHBondContact CB-O 3.23Å; A274-T279 CarbonylContact O-C 3.57Å; A274-T279 PolarHBondContact O-N 3.22Å; A274-T279 PolarHBondContact O-OG1 2.85Å; K275-T279 PolarHBondContact N-O 3.42Å
280E87.3Confident92.7Very high167 Ų16750.6 Ų50.678%0.7827%0.269SS*.  trans-106.5124.7168.4-171.4166.4-152.400108.6S282E280-S282 PolarHBondContact O-N 3.33Å
281L91.4Very high92.8Very high32 Ų3250.6 Ų50.617%0.16827%0.269CS..  trans-77.3125.1-178.9-63.5175.2000109.5L270 A274 E285 L286L270-L281 HydrophobicContact CD2-CD1 4.2Å; L270-L281 HydrophobicContact CG-CD1 4.12Å; A274-L281 HydrophobicContact CB-CD1 3.94Å; A274-L281 HydrophobicContact CB-CD2 4.35Å; A274-L281 HydrophobicContact CB-CG 3.74Å; L281-E285 HydrophobicContact CB-CB 4.39Å; L281-E285 HydrophobicContact CD2-CB 4.32Å; L281-L286 HydrophobicContact CB-CD2 3.78Å; L281-L286 HydrophobicContact CB-CG 3.87Å; L281-L286 HydrophobicContact CD1-CD2 3.69Å; L281-L286 HydrophobicContact CG-CD2 4.39Å
282S95.3Very high92.9Very high55 Ų5548.4 Ų48.439%0.38526%0.258SS..  trans-63.8158.8170.964.70000111.3E280 Q284 E285 L286E280-S282 PolarHBondContact O-N 3.33Å; S282-Q284 PolarHBondContact O-N 2.96Å; S282-E285 WeakPolarHBondContact CB-OE2 3.41Å; S282-E285 PolarHBondContact N-OE2 3.35Å; S282-E285 PolarHBondContact O-N 2.88Å; S282-E285 VanDerWaalsContact OG-CG 3.25Å; S282-E285 WeakPolarHBondContact OG-CG 3.5Å; S282-E285 PolarHBondContact OG-N 3.45Å; S282-E285 PolarHBondContact OG-OE2 2.85Å; S282-L286 WeakPolarHBondContact O-CG 3.36Å; S282-L286 PolarHBondContact O-N 2.94Å
283M95.6Very high93.1Very high61 Ų6144.3 Ų44.330%0.324%0.239SC..Hα-helixtrans-55.3-36.5175.3-17756.77000112.2E248 I251 R252 L286 K287E248-M283 HydrophobicContact CG-CG 4.02Å; E248-M283 HydrophobicContact CG-SD 3.93Å; I251-M283 HydrophobicContact CB-SD 4.47Å; I251-M283 HydrophobicContact CD1-SD 4.19Å; I251-M283 HydrophobicContact CG2-CE 3.94Å; I251-M283 HydrophobicContact CG2-SD 4.17Å; R252-M283 HydrophobicContact CG-CE 4.23Å; M283-L286 PolarHBondContact O-N 3.41Å; M283-K287 HydrophobicContact CG-CD 4.5Å; M283-K287 VanDerWaalsContact O-CG 3.31Å; M283-K287 WeakPolarHBondContact O-CG 3.4Å; M283-K287 PolarHBondContact O-N 3.49Å; M283-K287 HydrophobicContact SD-CG 4.45Å
284Q96.6Very high93.3Very high62 Ų6244.4 Ų44.429%0.2924%0.239SC..Hα-helixtrans-67-41177.1-171.760.225.800112.1S282 K287 E288S282-Q284 PolarHBondContact O-N 2.96Å; Q284-K287 PolarHBondContact O-N 2.85Å; Q284-K287 VanDerWaalsContact OE1-NZ 3.16Å; Q284-E288 PolarHBondContact NE2-OE1 2.99Å; Q284-E288 WeakPolarHBondContact O-CG 3.46Å; Q284-E288 PolarHBondContact O-N 3.35Å
285E95.4Very high93.4Very high39 Ų3946.2 Ų46.218%0.18225%0.247CC..Hα-helixtrans-66.4-37.2176-71.4171.2118.500112.3N128 R141 L281 S282 E288 S289N128-E285 HydrophobicContact CB-CG 3.88Å; R141-E285 IonicContact CZ-OE1 2.8Å; R141-E285 IonicContact NH1-OE1 2.72Å; R141-E285 IonicContact NH2-OE1 3.57Å; R141-E285 PolarHBondContact NH2-OE1 3.23Å; L281-E285 HydrophobicContact CB-CB 4.39Å; L281-E285 HydrophobicContact CD2-CB 4.32Å; S282-E285 WeakPolarHBondContact CB-OE2 3.41Å; S282-E285 PolarHBondContact N-OE2 3.35Å; S282-E285 PolarHBondContact O-N 2.88Å; S282-E285 VanDerWaalsContact OG-CG 3.25Å; S282-E285 WeakPolarHBondContact OG-CG 3.5Å; S282-E285 PolarHBondContact OG-N 3.45Å; S282-E285 PolarHBondContact OG-OE2 2.85Å; E285-E288 PolarHBondContact O-N 3.01Å; E285-S289 WeakPolarHBondContact O-CB 3.48Å; E285-S289 PolarHBondContact O-N 3.34Å; E285-S289 PolarHBondContact O-OG 3.46Å
286L95.4Very high93.6Very high11 Ų1142.2 Ų42.26%0.05824%0.24CC..Hα-helixtrans-64-44.3174.2-68.8171.1000111.6I251 L267 M271 L281 S282 M283 S289 T290I251-L286 HydrophobicContact CD1-CB 3.92Å; I251-L286 HydrophobicContact CG2-CD1 4.41Å; L267-L286 HydrophobicContact CD1-CD2 4.19Å; M271-L286 HydrophobicContact CG-CD2 3.76Å; M271-L286 HydrophobicContact SD-CD2 4.25Å; L281-L286 HydrophobicContact CB-CD2 3.78Å; L281-L286 HydrophobicContact CB-CG 3.87Å; L281-L286 HydrophobicContact CD1-CD2 3.69Å; L281-L286 HydrophobicContact CG-CD2 4.39Å; S282-L286 WeakPolarHBondContact O-CG 3.36Å; S282-L286 PolarHBondContact O-N 2.94Å; M283-L286 PolarHBondContact O-N 3.41Å; L286-S289 PolarHBondContact O-N 2.98Å; L286-T290 VanDerWaalsContact O-CB 3.25Å; L286-T290 WeakPolarHBondContact O-CB 3.21Å; L286-T290 PolarHBondContact O-N 2.93Å; L286-T290 PolarHBondContact O-OG1 3.49Å
287K96.4Very high93.7Very high21 Ų2137.5 Ų37.59%0.09122%0.221CC..Hα-helixtrans-60.7-45.6175.8-72-176.7-54.1-174.60112.1Q244 I247 E248 I251 M283 Q284 T290 I291Q244-K287 HydrophobicContact CB-CD 4.15Å; Q244-K287 HydrophobicContact CG-CB 4.4Å; Q244-K287 WeakPolarHBondContact O-CD 3.28Å; I247-K287 HydrophobicContact CG2-CB 4.45Å; I247-K287 HydrophobicContact CG2-CG 4.07Å; E248-K287 HydrophobicContact CB-CD 3.86Å; E248-K287 HydrophobicContact CG-CD 4.31Å; E248-K287 IonicContact OE2-NZ 3.49Å; E248-K287 PolarHBondContact OE2-NZ 3.48Å; I251-K287 HydrophobicContact CD1-CG 4.47Å; M283-K287 HydrophobicContact CG-CD 4.5Å; M283-K287 VanDerWaalsContact O-CG 3.31Å; M283-K287 WeakPolarHBondContact O-CG 3.4Å; M283-K287 PolarHBondContact O-N 3.49Å; M283-K287 HydrophobicContact SD-CG 4.45Å; Q284-K287 PolarHBondContact O-N 2.85Å; Q284-K287 VanDerWaalsContact OE1-NZ 3.16Å; K287-T290 PolarHBondContact O-N 3.21Å; K287-I291 WeakPolarHBondContact O-CG1 3.39Å; K287-I291 PolarHBondContact O-N 3.25Å
288E95.8Very high93.9Very high3 Ų335.1 Ų35.11%0.01421%0.208CC..Hα-helixtrans-69.5-39.9179.7-71179.8-177.200112.1N128 R240 Q284 E285 T290 I291 E292N128-E288 WeakPolarHBondContact CA-OE2 3.21Å; N128-E288 HydrophobicContact CB-CB 4.5Å; N128-E288 WeakPolarHBondContact CB-OE2 3.17Å; N128-E288 PolarHBondContact N-OE2 2.89Å; N128-E288 PolarHBondContact ND2-OE2 3.28Å; R240-E288 IonicContact NH2-OE1 3.26Å; R240-E288 PolarHBondContact NH2-OE1 3.44Å; Q284-E288 PolarHBondContact NE2-OE1 2.99Å; Q284-E288 WeakPolarHBondContact O-CG 3.46Å; Q284-E288 PolarHBondContact O-N 3.35Å; E285-E288 PolarHBondContact O-N 3.01Å; E288-T290 VanDerWaalsContact C-N 3.31Å; E288-T290 PolarHBondContact O-N 2.56Å; E288-I291 PolarHBondContact O-N 3.46Å; E288-E292 VanDerWaalsContact O-CB 3.3Å; E288-E292 WeakPolarHBondContact O-CB 3.31Å; E288-E292 PolarHBondContact O-N 2.89Å
289S95.2Very high94.3Very high0 Ų032.2 Ų32.20%018%0.177CC..Hα-helixtrans-62.1-40.4173.9-59.70000111.8E285 L286 E292 L293E285-S289 WeakPolarHBondContact O-CB 3.48Å; E285-S289 PolarHBondContact O-N 3.34Å; E285-S289 PolarHBondContact O-OG 3.46Å; L286-S289 PolarHBondContact O-N 2.98Å; S289-E292 PolarHBondContact O-N 3.38Å; S289-L293 WeakPolarHBondContact O-CG 3.38Å; S289-L293 PolarHBondContact O-N 3.45Å
290T95.4Very high94.8Very high0 Ų031.3 Ų31.30%017%0.171CC..Hα-helixtrans-64.4-49.9177-63.80000111.5L198 F200 I247 L286 K287 E288 E292 L293 I294L198-T290 HydrophobicContact CD1-CG2 3.34Å; L198-T290 HydrophobicContact CD2-CG2 3.59Å; L198-T290 HydrophobicContact CG-CG2 4.07Å; F200-T290 HydrophobicContact CE2-CG2 4.13Å; F200-T290 HydrophobicContact CZ-CG2 4.36Å; I247-T290 HydrophobicContact CB-CG2 4.47Å; I247-T290 HydrophobicContact CD1-CG2 3.83Å; I247-T290 HydrophobicContact CG1-CG2 3.95Å; I247-T290 HydrophobicContact CG2-CG2 3.65Å; L286-T290 VanDerWaalsContact O-CB 3.25Å; L286-T290 WeakPolarHBondContact O-CB 3.21Å; L286-T290 PolarHBondContact O-N 2.93Å; L286-T290 PolarHBondContact O-OG1 3.49Å; K287-T290 PolarHBondContact O-N 3.21Å; E288-T290 VanDerWaalsContact C-N 3.31Å; E288-T290 PolarHBondContact O-N 2.56Å; T290-E292 VanDerWaalsContact C-N 3.25Å; T290-E292 PolarHBondContact O-N 3.37Å; T290-L293 PolarHBondContact O-N 3.07Å; T290-I294 HydrophobicContact CG2-CD1 4.31Å; T290-I294 WeakPolarHBondContact O-CG1 3.36Å; T290-I294 PolarHBondContact O-N 2.9Å; T290-I294 VanDerWaalsContact O-N 3.12Å
291I95.8Very high95.3Very high1 Ų124 Ų241%0.00514%0.138CC..Hα-helixtrans-58.2-41.9175.7-72.7176.3000110.5F217 Q244 I247 K287 E288 I294 F295F217-I291 HydrophobicContact CE1-CG2 4.08Å; F217-I291 HydrophobicContact CZ-CG2 3.84Å; Q244-I291 HydrophobicContact CG-CD1 3.5Å; Q244-I291 VanDerWaalsContact CG-CD1 3.5Å; I247-I291 HydrophobicContact CD1-CD1 4.1Å; I247-I291 HydrophobicContact CD1-CG1 3.41Å; I247-I291 VanDerWaalsContact CD1-CG1 3.41Å; K287-I291 WeakPolarHBondContact O-CG1 3.39Å; K287-I291 PolarHBondContact O-N 3.25Å; E288-I291 PolarHBondContact O-N 3.46Å; I291-I294 PolarHBondContact O-N 2.7Å; I291-F295 VanDerWaalsContact O-CB 3.25Å; I291-F295 WeakPolarHBondContact O-CB 3.25Å; I291-F295 PolarHBondContact O-N 3.22Å
292E94.6Very high95.7Very high17 Ų1722.5 Ų22.58%0.07913%0.13CC..Hα-helixtrans-64-43.2179.1178.8170.4-152.300112.8S129 L130 A131 E288 S289 T290 I294 F295 A296S129-E292 VanDerWaalsContact CA-OE2 3.26Å; S129-E292 WeakPolarHBondContact CA-OE2 3.2Å; S129-E292 WeakPolarHBondContact CB-OE2 3.36Å; L130-E292 WeakPolarHBondContact CA-OE1 3.47Å; L130-E292 VanDerWaalsContact CB-OE1 3.3Å; L130-E292 WeakPolarHBondContact CB-OE1 3.1Å; L130-E292 VanDerWaalsContact N-CD 3.3Å; L130-E292 PolarHBondContact N-OE1 3.45Å; L130-E292 VanDerWaalsContact N-OE1 3.11Å; L130-E292 PolarHBondContact N-OE2 3.48Å; A131-E292 WeakPolarHBondContact CB-OE1 3.33Å; A131-E292 PolarHBondContact N-OE1 3.23Å; E288-E292 VanDerWaalsContact O-CB 3.3Å; E288-E292 WeakPolarHBondContact O-CB 3.31Å; E288-E292 PolarHBondContact O-N 2.89Å; S289-E292 PolarHBondContact O-N 3.38Å; T290-E292 VanDerWaalsContact C-N 3.25Å; T290-E292 PolarHBondContact O-N 3.37Å; E292-I294 PolarHBondContact O-N 2.92Å; E292-F295 PolarHBondContact O-N 3.33Å; E292-A296 WeakPolarHBondContact O-CB 3.37Å; E292-A296 PolarHBondContact O-N 2.72Å
293L95Very high95.8Very high11 Ų1119.9 Ų19.96%0.05811%0.112CC..Hα-helixtrans-60.3-45.5175.9-74.3172.6000111.4F145 F149 L198 S289 T290 A297F145-L293 HydrophobicContact CD1-CD2 4.25Å; F145-L293 HydrophobicContact CE1-CD2 4.06Å; F145-L293 HydrophobicContact CE1-CG 4.17Å; F149-L293 HydrophobicContact CZ-CD2 4.02Å; L198-L293 HydrophobicContact CD2-CD1 4.31Å; S289-L293 WeakPolarHBondContact O-CG 3.38Å; S289-L293 PolarHBondContact O-N 3.45Å; T290-L293 PolarHBondContact O-N 3.07Å; L293-A297 WeakPolarHBondContact O-CB 3.48Å; L293-A297 PolarHBondContact O-N 3.24Å; L293-A297 VanDerWaalsContact O-N 3.11Å
294I96.1Very high95.9Very high6 Ų617.1 Ų17.13%0.03110%0.099CC..Hα-helixtrans-62.8-49175.9-57.3168.7000109.7F190 A193 V194 L198 F214 T290 I291 E292 A296 A297 F298F190-I294 HydrophobicContact CD2-CG2 3.58Å; F190-I294 HydrophobicContact CE2-CG2 3.67Å; A193-I294 HydrophobicContact CB-CB 4.32Å; A193-I294 HydrophobicContact CB-CG1 4.03Å; A193-I294 HydrophobicContact CB-CG2 4.27Å; V194-I294 HydrophobicContact CG2-CD1 4.36Å; L198-I294 HydrophobicContact CD1-CD1 3.72Å; L198-I294 HydrophobicContact CD1-CG1 3.82Å; F214-I294 HydrophobicContact CD1-CG2 4.2Å; F214-I294 HydrophobicContact CD2-CG2 3.99Å; F214-I294 HydrophobicContact CE1-CG2 3.74Å; F214-I294 HydrophobicContact CE2-CB 3.96Å; F214-I294 HydrophobicContact CE2-CG2 3.52Å; F214-I294 HydrophobicContact CG-CG2 4.32Å; F214-I294 HydrophobicContact CZ-CB 3.96Å; F214-I294 HydrophobicContact CZ-CG2 3.39Å; T290-I294 HydrophobicContact CG2-CD1 4.31Å; T290-I294 WeakPolarHBondContact O-CG1 3.36Å; T290-I294 PolarHBondContact O-N 2.9Å; T290-I294 VanDerWaalsContact O-N 3.12Å; I291-I294 PolarHBondContact O-N 2.7Å; E292-I294 PolarHBondContact O-N 2.92Å; I294-A296 PolarHBondContact O-N 3.26Å; I294-A297 PolarHBondContact O-N 2.82Å; I294-F298 WeakPolarHBondContact O-CB 3.2Å; I294-F298 PolarHBondContact O-N 2.74Å
295F95Very high96.1Very high39 Ų3914.2 Ų14.217%0.1719%0.086CC..Hα-helixtrans-56.7-47.4-179.6166.8-110.3000112.6L125 F214 L221 I291 E292L125-F295 HydrophobicContact CD1-CD1 4.21Å; L125-F295 HydrophobicContact CD1-CE1 3.92Å; L125-F295 HydrophobicContact CD2-CB 4.16Å; L125-F295 HydrophobicContact CD2-CD1 3.53Å; L125-F295 HydrophobicContact CD2-CD2 4.4Å; L125-F295 HydrophobicContact CD2-CE1 3.99Å; L125-F295 HydrophobicContact CD2-CG 3.75Å; F214-F295 HydrophobicContact CZ-CB 4.16Å; L221-F295 HydrophobicContact CD1-CD2 3.63Å; L221-F295 HydrophobicContact CD1-CE2 3.17Å; L221-F295 HydrophobicContact CD1-CZ 3.98Å; I291-F295 VanDerWaalsContact O-CB 3.25Å; I291-F295 WeakPolarHBondContact O-CB 3.25Å; I291-F295 PolarHBondContact O-N 3.22Å; E292-F295 PolarHBondContact O-N 3.33Å
296A93.9Very high96.2Very high55 Ų5512.3 Ų12.346%0.4558%0.077SC..Hα-helixtrans-62.8-43.6179.400000111.8E292 I294 T300E292-A296 WeakPolarHBondContact O-CB 3.37Å; E292-A296 PolarHBondContact O-N 2.72Å; I294-A296 PolarHBondContact O-N 3.26Å; A296-T300 PolarHBondContact O-OG1 2.87Å
297A93.4Very high96.4Very high18 Ų1811.9 Ų11.915%0.1498%0.075CC..Hα-helixtrans-78.5-24-177.200000113.7A193 L197 L293 I294 T301A193-A297 HydrophobicContact CB-CB 4.5Å; L197-A297 HydrophobicContact CD1-CB 4.43Å; L293-A297 WeakPolarHBondContact O-CB 3.48Å; L293-A297 PolarHBondContact O-N 3.24Å; L293-A297 VanDerWaalsContact O-N 3.11Å; I294-A297 PolarHBondContact O-N 2.82Å; A297-T301 WeakPolarHBondContact O-CB 3.16Å; A297-T301 PolarHBondContact O-OG1 2.77Å
298F95.9Very high96.5Very high2 Ų210.9 Ų10.91%0.0097%0.07CC..Hα-helixtrans-66.8-70.8-169.3-178.1-107.7000113.7Q186 F190 F211 F214 Q215 V218 I294 A302Q186-F298 HydrophobicContact CB-CE1 4.49Å; Q186-F298 HydrophobicContact CB-CE2 3.97Å; Q186-F298 HydrophobicContact CB-CZ 3.82Å; Q186-F298 HydrophobicContact CG-CE1 4.25Å; Q186-F298 HydrophobicContact CG-CZ 4.06Å; Q186-F298 WeakPolarHBondContact O-CE2 3.3Å; F190-F298 HydrophobicContact CB-CD2 3.89Å; F190-F298 HydrophobicContact CB-CE2 3.9Å; F190-F298 HydrophobicContact CD2-CD2 4.17Å; F190-F298 HydrophobicContact CD2-CE2 4.32Å; F190-F298 HydrophobicContact CG-CD2 4.48Å; F190-F298 HydrophobicContact CG-CE2 4.42Å; F211-F298 AromaticContact CD2-CE2 3.99Å; F211-F298 HydrophobicContact CD2-CE2 3.99Å; F211-F298 HydrophobicContact CD2-CZ 4.49Å; F211-F298 AromaticContact CE2-CE2 3.57Å; F211-F298 HydrophobicContact CE2-CE2 3.57Å; F211-F298 AromaticContact CE2-CZ 3.86Å; F211-F298 HydrophobicContact CE2-CZ 3.86Å; F214-F298 HydrophobicContact CD1-CD1 4.11Å; F214-F298 AromaticContact CD1-CD2 3.88Å; F214-F298 HydrophobicContact CD1-CD2 3.88Å; F214-F298 HydrophobicContact CD1-CE1 4.22Å; F214-F298 AromaticContact CD1-CE2 3.97Å; F214-F298 HydrophobicContact CD1-CE2 3.97Å; F214-F298 AromaticContact CD1-CG 3.93Å; F214-F298 HydrophobicContact CD1-CG 3.93Å; F214-F298 HydrophobicContact CD1-CZ 4.16Å; F214-F298 HydrophobicContact CE1-CB 3.72Å; F214-F298 AromaticContact CE1-CD1 3.79Å; F214-F298 HydrophobicContact CE1-CD1 3.79Å; F214-F298 AromaticContact CE1-CD2 3.91Å; F214-F298 HydrophobicContact CE1-CD2 3.91Å; F214-F298 HydrophobicContact CE1-CE1 4.35Å; F214-F298 HydrophobicContact CE1-CE2 4.42Å; F214-F298 AromaticContact CE1-CG 3.55Å; F214-F298 HydrophobicContact CE1-CG 3.55Å; Q215-F298 HydrophobicContact CG-CZ 4.06Å; V218-F298 HydrophobicContact CG2-CD1 4.09Å; V218-F298 HydrophobicContact CG2-CE1 4.29Å; I294-F298 WeakPolarHBondContact O-CB 3.2Å; I294-F298 PolarHBondContact O-N 2.74Å; F298-A302 WeakPolarHBondContact O-CB 3.32Å; F298-A302 PolarHBondContact O-N 3.25Å
299A95.1Very high96.6Very high13 Ų1310.7 Ų10.711%0.1077%0.069CC..Hα-helixtrans-77.6-34.8-170.500000112.3S303 V479A299-S303 WeakPolarHBondContact O-CB 3.3Å; A299-S303 PolarHBondContact O-N 3.11Å; A299-V479 HydrophobicContact CB-CG1 4.36Å; A299-V479 HydrophobicContact CB-CG2 4.07Å
300T97.1Very high96.8Very high44 Ų4410.8 Ų10.827%0.277%0.07SC..Hα-helixtrans-71.2-45.8-175.263.60000112.1A296 S303 A304 V368A296-T300 PolarHBondContact O-OG1 2.87Å; T300-S303 WeakPolarHBondContact O-CB 3.44Å; T300-S303 PolarHBondContact O-N 3.39Å; T300-A304 PolarHBondContact O-N 3.12Å; T300-V368 HydrophobicContact CG2-CG2 3.7Å
301T97.5Very high96.9Very high14 Ų1410.8 Ų10.89%0.0867%0.07CC..Hα-helixtrans-68.4-39.6176.8-46.20000110.9A297 S303 A304 S305 F450A297-T301 WeakPolarHBondContact O-CB 3.16Å; A297-T301 PolarHBondContact O-OG1 2.77Å; T301-S303 PolarHBondContact O-N 2.86Å; T301-A304 PolarHBondContact O-N 3.01Å; T301-S305 VanDerWaalsContact O-CB 3.26Å; T301-S305 WeakPolarHBondContact O-CB 3.21Å; T301-S305 PolarHBondContact O-N 3.49Å; T301-S305 PolarHBondContact O-OG 3.29Å; T301-F450 HydrophobicContact CG2-CD1 3.39Å; T301-F450 HydrophobicContact CG2-CE1 3.65Å; T301-F450 HydrophobicContact CG2-CG 3.89Å; T301-F450 HydrophobicContact CG2-CZ 4.33Å
302A98.3Very high97Very high0 Ų010.8 Ų10.80%07%0.07CC..Hα-helixtrans-61.3-44175.800000112.3Y182 Q186 S189 F298 S305 T306Y182-A302 HydrophobicContact CE2-CB 4.29Å; Q186-A302 HydrophobicContact CB-CB 4.27Å; Q186-A302 HydrophobicContact CG-CB 3.69Å; S189-A302 PolarHBondContact OG-N 2.85Å; F298-A302 WeakPolarHBondContact O-CB 3.32Å; F298-A302 PolarHBondContact O-N 3.25Å; A302-S305 PolarHBondContact O-N 3.07Å; A302-T306 WeakPolarHBondContact O-CB 3.39Å; A302-T306 PolarHBondContact O-N 3.31Å; A302-T306 PolarHBondContact O-OG1 2.95Å
303S98.5Very high97.1Very high0 Ų011.2 Ų11.20%07%0.073CC..Hα-helixtrans-59.3-50.3174.31680000112.2A299 T300 T301 S305 T306 S307 P367 V479 V480A299-S303 WeakPolarHBondContact O-CB 3.3Å; A299-S303 PolarHBondContact O-N 3.11Å; T300-S303 WeakPolarHBondContact O-CB 3.44Å; T300-S303 PolarHBondContact O-N 3.39Å; T301-S303 PolarHBondContact O-N 2.86Å; S303-S305 PolarHBondContact O-N 3.11Å; S303-T306 PolarHBondContact O-N 2.84Å; S303-S307 WeakPolarHBondContact O-CB 3.18Å; S303-S307 PolarHBondContact O-N 3.5Å; S303-S307 PolarHBondContact O-OG 3.38Å; S303-P367 WeakPolarHBondContact OG-CA 3.22Å; S303-V479 VanDerWaalsContact CB-CG1 3.48Å; S303-V480 WeakPolarHBondContact CB-O 3.47Å; S303-V480 PolarHBondContact OG-O 3.03Å
304A98.6Very high97.1Very high4 Ų415.4 Ų15.43%0.0339%0.088CC..Hα-helixtrans-65-39.8179.800000112.2T300 T301 S307 L308 L362 P367 L451T300-A304 PolarHBondContact O-N 3.12Å; T301-A304 PolarHBondContact O-N 3.01Å; A304-S307 PolarHBondContact O-N 2.91Å; A304-L308 WeakPolarHBondContact O-CB 3.19Å; A304-L308 PolarHBondContact O-N 3.29Å; A304-L362 HydrophobicContact CB-CD2 4.09Å; A304-P367 HydrophobicContact CB-CG 3.83Å; A304-L451 HydrophobicContact CB-CD1 3.74Å; A304-L451 HydrophobicContact CB-CD2 3.71Å; A304-L451 HydrophobicContact CB-CG 4.27Å
305S98.8Very high97.2Very high0 Ų017 Ų170%010%0.095CC..Hα-helixtrans-64.3-45177.3-580000111.7T301 A302 S303 S307 L308 I309 F450 L454T301-S305 VanDerWaalsContact O-CB 3.26Å; T301-S305 WeakPolarHBondContact O-CB 3.21Å; T301-S305 PolarHBondContact O-N 3.49Å; T301-S305 PolarHBondContact O-OG 3.29Å; A302-S305 PolarHBondContact O-N 3.07Å; S303-S305 PolarHBondContact O-N 3.11Å; S305-S307 VanDerWaalsContact C-N 3.3Å; S305-S307 PolarHBondContact O-N 3.36Å; S305-L308 WeakPolarHBondContact O-CB 3.29Å; S305-L308 PolarHBondContact O-N 3.07Å; S305-I309 WeakPolarHBondContact O-CG1 3.27Å; S305-I309 PolarHBondContact O-N 3.31Å; S305-F450 WeakPolarHBondContact OG-CE1 3.33Å; S305-L454 VanDerWaalsContact CB-CD2 3.5Å
306T98.8Very high97.1Very high0 Ų019 Ų190%011%0.112CC..Hα-helixtrans-62.9-40.4175.6-55.50000111.1V181 Y182 S185 A302 S303 I309 M310 P482 L486V181-T306 HydrophobicContact CB-CG2 4.5Å; V181-T306 HydrophobicContact CG1-CG2 4.05Å; Y182-T306 WeakPolarHBondContact CA-OG1 3.26Å; S185-T306 PolarHBondContact OG-OG1 3.28Å; A302-T306 WeakPolarHBondContact O-CB 3.39Å; A302-T306 PolarHBondContact O-N 3.31Å; A302-T306 PolarHBondContact O-OG1 2.95Å; S303-T306 PolarHBondContact O-N 2.84Å; T306-I309 PolarHBondContact O-N 3.49Å; T306-M310 WeakPolarHBondContact O-CB 3.18Å; T306-M310 PolarHBondContact O-N 3.13Å; T306-P482 HydrophobicContact CG2-CG 3.91Å; T306-L486 HydrophobicContact CG2-CB 4.24Å; T306-L486 HydrophobicContact CG2-CD2 4.15Å
307S98.6Very high97.2Very high1 Ų122.1 Ų22.11%0.00712%0.117CC..Hα-helixtrans-68.8-37.1179.5-57.20000112.1S303 A304 S305 M310 A311 Y365S303-S307 WeakPolarHBondContact O-CB 3.18Å; S303-S307 PolarHBondContact O-N 3.5Å; S303-S307 PolarHBondContact O-OG 3.38Å; A304-S307 PolarHBondContact O-N 2.91Å; S305-S307 VanDerWaalsContact C-N 3.3Å; S305-S307 PolarHBondContact O-N 3.36Å; S307-M310 PolarHBondContact O-N 3.41Å; S307-A311 VanDerWaalsContact O-CB 3.31Å; S307-A311 WeakPolarHBondContact O-CB 3.33Å; S307-A311 PolarHBondContact O-N 3.12Å; S307-Y365 VanDerWaalsContact CB-CB 3.47Å; S307-Y365 WeakPolarHBondContact OG-CB 3.45Å
308L98.8Very high97.5Very high0 Ų021.6 Ų21.60%011%0.112CC..Hα-helixtrans-60.4-51.6171.6172.964.3000110.8A304 S305 M310 A311 L312 V357 I358 V361 L451 L454 A455A304-L308 WeakPolarHBondContact O-CB 3.19Å; A304-L308 PolarHBondContact O-N 3.29Å; S305-L308 WeakPolarHBondContact O-CB 3.29Å; S305-L308 PolarHBondContact O-N 3.07Å; L308-M310 VanDerWaalsContact C-N 3.31Å; L308-M310 PolarHBondContact O-N 2.96Å; L308-A311 PolarHBondContact O-N 3.26Å; L308-L312 HydrophobicContact CD1-CD1 3.88Å; L308-L312 HydrophobicContact CD1-CG 4.09Å; L308-L312 HydrophobicContact CG-CD1 4.07Å; L308-L312 VanDerWaalsContact O-CG 3.32Å; L308-L312 WeakPolarHBondContact O-CG 3.37Å; L308-L312 PolarHBondContact O-N 3.24Å; L308-V357 HydrophobicContact CD1-CG1 4.23Å; L308-I358 HydrophobicContact CD1-CD1 3.91Å; L308-I358 HydrophobicContact CD2-CD1 4.18Å; L308-V361 HydrophobicContact CB-CG1 4.31Å; L308-V361 HydrophobicContact CD1-CG2 4.07Å; L308-L451 HydrophobicContact CD2-CD2 4.48Å; L308-L454 HydrophobicContact CD2-CB 4.49Å; L308-L454 HydrophobicContact CD2-CD2 4.24Å; L308-L454 HydrophobicContact CD2-CG 4.3Å; L308-A455 HydrophobicContact CD1-CB 4.43Å; L308-A455 HydrophobicContact CD2-CB 3.91Å
309I98.6Very high97.4Very high0 Ų022.2 Ų22.20%012%0.115CC..Hα-helixtrans-59.3-44.2178.2-67.5162.9000110.6W172 V181 S305 T306 A311 L312 L313 L458 F464 L486 F490W172-I309 HydrophobicContact CH2-CD1 4.5Å; W172-I309 HydrophobicContact CZ3-CD1 4.04Å; V181-I309 HydrophobicContact CG1-CB 4.32Å; V181-I309 HydrophobicContact CG1-CD1 3.49Å; V181-I309 VanDerWaalsContact CG1-CD1 3.49Å; V181-I309 HydrophobicContact CG1-CG1 4.5Å; V181-I309 HydrophobicContact CG1-CG2 4.32Å; S305-I309 WeakPolarHBondContact O-CG1 3.27Å; S305-I309 PolarHBondContact O-N 3.31Å; T306-I309 PolarHBondContact O-N 3.49Å; I309-A311 PolarHBondContact O-N 2.89Å; I309-L312 PolarHBondContact O-N 3.27Å; I309-L313 HydrophobicContact CG2-CD1 4.18Å; I309-L313 WeakPolarHBondContact O-CB 3.08Å; I309-L313 WeakPolarHBondContact O-CG 3.43Å; I309-L313 PolarHBondContact O-N 3.18Å; I309-L458 HydrophobicContact CD1-CD1 4.38Å; I309-L458 HydrophobicContact CG1-CD1 3.62Å; I309-F464 HydrophobicContact CG2-CD2 4.25Å; I309-F464 HydrophobicContact CG2-CE2 4.21Å; I309-L486 HydrophobicContact CG2-CD2 4.12Å; I309-F490 HydrophobicContact CD1-CZ 4.44Å; I309-F490 HydrophobicContact CG2-CZ 4.43Å
310M98.3Very high97.4Very high1 Ų124 Ų241%0.00512%0.122CC..Hα-helixtrans-62.4-42.1177.2-172.717559.400112.5T306 S307 L308 L313 R314 Y365 F471 V474 P482 L486T306-M310 WeakPolarHBondContact O-CB 3.18Å; T306-M310 PolarHBondContact O-N 3.13Å; S307-M310 PolarHBondContact O-N 3.41Å; L308-M310 VanDerWaalsContact C-N 3.31Å; L308-M310 PolarHBondContact O-N 2.96Å; M310-L313 PolarHBondContact O-N 3.44Å; M310-R314 WeakPolarHBondContact O-CG 3.32Å; M310-R314 PolarHBondContact O-N 3.26Å; M310-Y365 HydrophobicContact CE-CD1 3.85Å; M310-Y365 HydrophobicContact CE-CE1 3.4Å; M310-Y365 HydrophobicContact CE-CE2 4.17Å; M310-Y365 HydrophobicContact CE-CG 4.4Å; M310-F471 HydrophobicContact CG-CD1 4.03Å; M310-F471 HydrophobicContact CG-CE1 4.35Å; M310-V474 HydrophobicContact CE-CG2 3.93Å; M310-V474 HydrophobicContact SD-CG2 4.34Å; M310-P482 HydrophobicContact SD-CG 4.13Å; M310-L486 HydrophobicContact CB-CD1 4.34Å; M310-L486 HydrophobicContact CB-CD2 3.83Å; M310-L486 HydrophobicContact CG-CD1 4.07Å; M310-L486 HydrophobicContact CG-CD2 4.47Å; M310-L486 HydrophobicContact SD-CD1 4.44Å
311A98.1Very high97.4Very high0 Ų026.4 Ų26.40%013%0.126CC..Hα-helixtrans-65.5-44.8177.800000111.3S307 L308 I309 L313 R314 H315 V361 Y365 F412S307-A311 VanDerWaalsContact O-CB 3.31Å; S307-A311 WeakPolarHBondContact O-CB 3.33Å; S307-A311 PolarHBondContact O-N 3.12Å; L308-A311 PolarHBondContact O-N 3.26Å; I309-A311 PolarHBondContact O-N 2.89Å; A311-L313 VanDerWaalsContact C-N 3.32Å; A311-L313 PolarHBondContact O-N 3.48Å; A311-R314 PolarHBondContact O-N 3.45Å; A311-H315 WeakPolarHBondContact O-CB 3.24Å; A311-H315 PolarHBondContact O-CD2 2.82Å; A311-H315 PolarHBondContact O-N 2.85Å; A311-V361 HydrophobicContact CB-CG2 4Å; A311-Y365 HydrophobicContact CB-CE2 4.49Å; A311-F412 HydrophobicContact CB-CD2 4.03Å; A311-F412 HydrophobicContact CB-CE1 4.41Å; A311-F412 HydrophobicContact CB-CE2 3.61Å; A311-F412 HydrophobicContact CB-CZ 3.83Å
312L97.6Very high97.3Very high2 Ų226 Ų261%0.0112%0.123CC..Hα-helixtrans-63.7-36.9177-64.9174.8000112.2L308 I309 H315 V318 L319 L322 V357 L458 F464L308-L312 HydrophobicContact CD1-CD1 3.88Å; L308-L312 HydrophobicContact CD1-CG 4.09Å; L308-L312 HydrophobicContact CG-CD1 4.07Å; L308-L312 VanDerWaalsContact O-CG 3.32Å; L308-L312 WeakPolarHBondContact O-CG 3.37Å; L308-L312 PolarHBondContact O-N 3.24Å; I309-L312 PolarHBondContact O-N 3.27Å; L312-H315 CarbonylContact O-C 3.59Å; L312-H315 PolarHBondContact O-N 3.41Å; L312-V318 HydrophobicContact CD2-CG1 4.13Å; L312-L319 HydrophobicContact CD1-CD1 4.3Å; L312-L319 HydrophobicContact CD2-CB 4.28Å; L312-L319 HydrophobicContact CD2-CD1 4.35Å; L312-L322 HydrophobicContact CD2-CD1 3.74Å; L312-V357 HydrophobicContact CD2-CG1 4.48Å; L312-L458 HydrophobicContact CD1-CD1 4.38Å; L312-F464 HydrophobicContact CB-CE2 4.32Å; L312-F464 HydrophobicContact CB-CZ 4.12Å
313L96.9Very high97.1Very high26 Ų2628.5 Ų28.514%0.13613%0.132CC..Hα-helixtrans-64.4-39.9172.9-81.7171.9000112.9I309 M310 A311 H315 F464 F471 L486 V488I309-L313 HydrophobicContact CG2-CD1 4.18Å; I309-L313 WeakPolarHBondContact O-CB 3.08Å; I309-L313 WeakPolarHBondContact O-CG 3.43Å; I309-L313 PolarHBondContact O-N 3.18Å; M310-L313 PolarHBondContact O-N 3.44Å; A311-L313 VanDerWaalsContact C-N 3.32Å; A311-L313 PolarHBondContact O-N 3.48Å; L313-H315 VanDerWaalsContact C-N 3.31Å; L313-F464 HydrophobicContact CD1-CD2 4.33Å; L313-F464 HydrophobicContact CD2-CD2 3.52Å; L313-F464 HydrophobicContact CD2-CE2 3.9Å; L313-F464 WeakPolarHBondContact CD2-O 3.45Å; L313-F464 HydrophobicContact CG-CD2 3.69Å; L313-F464 HydrophobicContact CG-CE2 3.75Å; L313-F471 HydrophobicContact CB-CE1 3.74Å; L313-F471 HydrophobicContact CB-CZ 3.86Å; L313-F471 HydrophobicContact CD1-CE1 4.39Å; L313-L486 HydrophobicContact CD1-CD2 4.46Å; L313-V488 HydrophobicContact CD1-CG1 4.26Å; L313-V488 HydrophobicContact CD1-CG2 3.63Å
314R96.3Very high96.9Very high98 Ų9833.3 Ų33.337%0.3716%0.155SC..Hα-helixtrans-74.2-24.1179.5-75.9178.2177-122.78.5112.9M310 A311 F471M310-R314 WeakPolarHBondContact O-CG 3.32Å; M310-R314 PolarHBondContact O-N 3.26Å; A311-R314 PolarHBondContact O-N 3.45Å; R314-F471 HydrophobicContact CB-CZ 4.24Å; R314-F471 HydrophobicContact CG-CD1 3.85Å; R314-F471 HydrophobicContact CG-CD2 3.84Å; R314-F471 HydrophobicContact CG-CE1 3.53Å; R314-F471 HydrophobicContact CG-CE2 3.53Å; R314-F471 HydrophobicContact CG-CG 4Å; R314-F471 HydrophobicContact CG-CZ 3.36Å
315H96.7Very high96.8Very high40 Ų4034.9 Ų34.919%0.18516%0.161CC..  trans-131.571-172.9-55.5-76000111.3A311 L312 L313 Q317 V318 L319 F412A311-H315 WeakPolarHBondContact O-CB 3.24Å; A311-H315 PolarHBondContact O-CD2 2.82Å; A311-H315 PolarHBondContact O-N 2.85Å; L312-H315 CarbonylContact O-C 3.59Å; L312-H315 PolarHBondContact O-N 3.41Å; L313-H315 VanDerWaalsContact C-N 3.31Å; H315-Q317 PolarHBondContact O-N 2.94Å; H315-Q317 VanDerWaalsContact O-N 3.12Å; H315-V318 HydrophobicContact CB-CB 4.11Å; H315-V318 HydrophobicContact CB-CG2 3.72Å; H315-V318 WeakPolarHBondContact O-CB 3.46Å; H315-V318 PolarHBondContact O-N 3.28Å; H315-L319 PolarHBondContact O-N 3.45Å; H315-F412 HydrophobicContact CB-CD1 4.35Å; H315-F412 AromaticContact CD2-CD1 3.52Å; H315-F412 AromaticContact CD2-CG 3.7Å; H315-F412 AromaticContact CG-CD1 3.85Å; H315-F412 VanDerWaalsContact NE2-CB 3.3Å; H315-F412 WeakPolarHBondContact NE2-CB 3.27Å; H315-F412 AromaticContact NE2-CG 3.85Å
316P94.1Very high96.5Very high82 Ų8235.1 Ų35.153%0.53216%0.162SC..Hα-helixtrans-54.8-31.7-179.2-25.935000114.1V318 L319 E320P316-V318 VanDerWaalsContact C-N 3.26Å; P316-V318 PolarHBondContact O-N 3.29Å; P316-L319 WeakPolarHBondContact O-CB 3.18Å; P316-L319 PolarHBondContact O-N 2.84Å; P316-E320 PolarHBondContact O-N 3.22Å
317Q96.3Very high96.1Very high120 Ų12040.8 Ų40.856%0.56118%0.184SC*.Hα-helixtrans-62-31.617571-78.515.200113.3H315 R321H315-Q317 PolarHBondContact O-N 2.94Å; H315-Q317 VanDerWaalsContact O-N 3.12Å; Q317-R321 WeakPolarHBondContact O-CB 3.24Å; Q317-R321 PolarHBondContact O-N 3.23Å
318V97.6Very high95.8Very high6 Ų644.1 Ų44.14%0.03622%0.218CC..Hα-helixtrans-71.1-42.2175.4173.10000109.7L312 H315 P316 E320 R321 L322 Y353 V357 F412 P414L312-V318 HydrophobicContact CD2-CG1 4.13Å; H315-V318 HydrophobicContact CB-CB 4.11Å; H315-V318 HydrophobicContact CB-CG2 3.72Å; H315-V318 WeakPolarHBondContact O-CB 3.46Å; H315-V318 PolarHBondContact O-N 3.28Å; P316-V318 VanDerWaalsContact C-N 3.26Å; P316-V318 PolarHBondContact O-N 3.29Å; V318-E320 VanDerWaalsContact C-N 3.3Å; V318-E320 PolarHBondContact O-N 2.92Å; V318-R321 PolarHBondContact O-N 2.86Å; V318-L322 WeakPolarHBondContact O-CG 3.32Å; V318-L322 PolarHBondContact O-N 3.44Å; V318-Y353 HydrophobicContact CG1-CE1 4.24Å; V318-V357 HydrophobicContact CG1-CG1 4.19Å; V318-V357 HydrophobicContact CG1-CG2 3.5Å; V318-F412 HydrophobicContact CG1-CE1 4.16Å; V318-F412 HydrophobicContact CG2-CD1 4.33Å; V318-F412 HydrophobicContact CG2-CE1 4.03Å; V318-P414 HydrophobicContact CG1-CG 4.17Å; V318-P414 HydrophobicContact CG2-CG 4.14Å
319L95.1Very high95.4Very high15 Ų1550.5 Ų50.58%0.07924%0.243CC..Hα-helixtrans-61.1-40.6175.3-17859.5000111.5L312 H315 P316 L322 R323 A459 F464L312-L319 HydrophobicContact CD1-CD1 4.3Å; L312-L319 HydrophobicContact CD2-CB 4.28Å; L312-L319 HydrophobicContact CD2-CD1 4.35Å; H315-L319 PolarHBondContact O-N 3.45Å; P316-L319 WeakPolarHBondContact O-CB 3.18Å; P316-L319 PolarHBondContact O-N 2.84Å; L319-L322 WeakPolarHBondContact O-CB 3.21Å; L319-L322 PolarHBondContact O-N 2.93Å; L319-R323 PolarHBondContact O-N 3.03Å; L319-R323 VanDerWaalsContact O-N 3.09Å; L319-A459 HydrophobicContact CD1-CB 3.87Å; L319-F464 HydrophobicContact CD2-CE1 4.16Å; L319-F464 HydrophobicContact CD2-CZ 4.01Å
320E94.6Very high94.8Very high52 Ų5252 Ų5224%0.24326%0.257CS..Hα-helixtrans-68.2-42.1178.1-166.352-135.800112.2P316 V318 L322 R323 E324 R327P316-E320 PolarHBondContact O-N 3.22Å; V318-E320 VanDerWaalsContact C-N 3.3Å; V318-E320 PolarHBondContact O-N 2.92Å; E320-L322 VanDerWaalsContact C-N 3.28Å; E320-L322 PolarHBondContact O-N 3.27Å; E320-R323 CarbonylContact O-C 3.48Å; E320-R323 WeakPolarHBondContact O-CA 3.25Å; E320-R323 WeakPolarHBondContact O-CB 3.46Å; E320-R323 PolarHBondContact O-N 2.94Å; E320-R323 WeakPolarHBondContact OE2-CD 3.46Å; E320-R323 IonicContact OE2-NH1 3.33Å; E320-R323 PolarHBondContact OE2-NH1 3.38Å; E320-E324 WeakPolarHBondContact O-CG 3.49Å; E320-E324 PolarHBondContact O-N 3.25Å; E320-R327 IonicContact OE1-CZ 2.81Å; E320-R327 IonicContact OE1-NH2 2.86Å; E320-R327 PolarHBondContact OE1-NH2 3.01Å
321R96.8Very high94.3Very high94 Ų9452.1 Ų52.136%0.35526%0.258SS..Hα-helixtrans-65.4-29.7175.2-172.5172.1163.3-158.7-7112.9Q317 V318 E324 E325 Y353 D415Q317-R321 WeakPolarHBondContact O-CB 3.24Å; Q317-R321 PolarHBondContact O-N 3.23Å; V318-R321 PolarHBondContact O-N 2.86Å; R321-E324 PolarHBondContact O-N 2.96Å; R321-E325 PolarHBondContact O-N 2.68Å; R321-Y353 HydrophobicContact CB-CD1 4.15Å; R321-Y353 HydrophobicContact CB-CE1 3.53Å; R321-Y353 VanDerWaalsContact CD-CZ 3.48Å; R321-Y353 HydrophobicContact CG-CD1 3.74Å; R321-Y353 HydrophobicContact CG-CE1 3.5Å; R321-Y353 VanDerWaalsContact CG-CE1 3.5Å; R321-Y353 HydrophobicContact CG-CE2 4.3Å; R321-Y353 HydrophobicContact CG-CG 4.24Å; R321-Y353 VanDerWaalsContact CZ-CD2 3.44Å; R321-Y353 VanDerWaalsContact NH1-CE2 3.33Å; R321-D415 IonicContact CZ-OD1 3.94Å; R321-D415 VanDerWaalsContact CZ-OD1 3.24Å; R321-D415 IonicContact CZ-OD2 2.69Å; R321-D415 IonicContact NH1-OD1 3.22Å; R321-D415 PolarHBondContact NH1-OD1 3.05Å; R321-D415 IonicContact NH1-OD2 3.03Å; R321-D415 PolarHBondContact NH1-OD2 3.45Å; R321-D415 IonicContact NH2-OD1 2.75Å; R321-D415 PolarHBondContact NH2-OD1 3.48Å; R321-D415 IonicContact NH2-OD2 3.04Å
322L95.7Very high93.6Very high4 Ų452.8 Ų52.82%0.02126%0.262CS..Hα-helixtrans-63-45.3167.4-73.2172.8000111.2L312 V318 L319 E320 E324 E325 L326 Y353 L354 V357L312-L322 HydrophobicContact CD2-CD1 3.74Å; V318-L322 WeakPolarHBondContact O-CG 3.32Å; V318-L322 PolarHBondContact O-N 3.44Å; L319-L322 WeakPolarHBondContact O-CB 3.21Å; L319-L322 PolarHBondContact O-N 2.93Å; E320-L322 VanDerWaalsContact C-N 3.28Å; E320-L322 PolarHBondContact O-N 3.27Å; L322-E324 VanDerWaalsContact C-N 3.31Å; L322-E324 PolarHBondContact O-N 2.9Å; L322-E325 PolarHBondContact O-N 2.76Å; L322-L326 VanDerWaalsContact O-CG 3.29Å; L322-L326 WeakPolarHBondContact O-CG 3.44Å; L322-L326 PolarHBondContact O-N 2.95Å; L322-Y353 HydrophobicContact CD2-CD1 3.75Å; L322-Y353 HydrophobicContact CD2-CE1 4.17Å; L322-Y353 HydrophobicContact CG-CD1 4.08Å; L322-Y353 HydrophobicContact CG-CE1 4.06Å; L322-L354 HydrophobicContact CD2-CB 3.89Å; L322-L354 HydrophobicContact CD2-CD1 3.9Å; L322-V357 HydrophobicContact CD1-CG1 4.38Å; L322-V357 HydrophobicContact CD1-CG2 4.41Å; L322-V357 HydrophobicContact CD2-CB 4.48Å; L322-V357 HydrophobicContact CD2-CG2 4.01Å; L322-V357 HydrophobicContact CG-CG2 4.29Å
323R93.8Very high92.4Very high54 Ų5458.5 Ų58.520%0.20429%0.288CS..Hα-helixtrans-61.9-39176.2-69.3172.7179144.4-1.2112.1L319 E320 L326 R327 L332 A459L319-R323 PolarHBondContact O-N 3.03Å; L319-R323 VanDerWaalsContact O-N 3.09Å; E320-R323 CarbonylContact O-C 3.48Å; E320-R323 WeakPolarHBondContact O-CA 3.25Å; E320-R323 WeakPolarHBondContact O-CB 3.46Å; E320-R323 PolarHBondContact O-N 2.94Å; E320-R323 WeakPolarHBondContact OE2-CD 3.46Å; E320-R323 IonicContact OE2-NH1 3.33Å; E320-R323 PolarHBondContact OE2-NH1 3.38Å; R323-L326 PolarHBondContact O-N 2.88Å; R323-R327 WeakPolarHBondContact O-CB 3.45Å; R323-R327 VanDerWaalsContact O-CG 3.32Å; R323-R327 WeakPolarHBondContact O-CG 3.43Å; R323-R327 PolarHBondContact O-N 3.22Å; R323-L332 HydrophobicContact CB-CD2 4.18Å; R323-L332 HydrophobicContact CG-CD2 4.33Å; R323-A459 HydrophobicContact CG-CB 4.14Å; R323-A459 PolarHBondContact NE-O 3.29Å
324E94.9Very high91Very high101 Ų10164.2 Ų64.247%0.47232%0.319SS..Hα-helixtrans-60.6-45.2173.6-70.3174.3167.500112E320 R321 L322 L326 R327 G328E320-E324 WeakPolarHBondContact O-CG 3.49Å; E320-E324 PolarHBondContact O-N 3.25Å; R321-E324 PolarHBondContact O-N 2.96Å; L322-E324 VanDerWaalsContact C-N 3.31Å; L322-E324 PolarHBondContact O-N 2.9Å; E324-L326 PolarHBondContact O-N 2.82Å; E324-R327 VanDerWaalsContact CG-NH2 3.25Å; E324-R327 PolarHBondContact O-N 3.17Å; E324-G328 PolarHBondContact O-N 3.49Å
325E95.6Very high89.4Confident37 Ų3761.3 Ų61.317%0.17332%0.319CS..Hα-helixtrans-60.1-45.3174.7-177.5174.9-125.300111.2R321 L322 G328 R329 L351 K352 Y353 L354R321-E325 PolarHBondContact O-N 2.68Å; L322-E325 PolarHBondContact O-N 2.76Å; E325-G328 PolarHBondContact O-N 3.38Å; E325-R329 VanDerWaalsContact O-CG 3.29Å; E325-R329 WeakPolarHBondContact O-CG 3.3Å; E325-R329 PolarHBondContact O-N 2.81Å; E325-R329 VanDerWaalsContact O-N 3.09Å; E325-L351 HydrophobicContact CG-CD2 3.99Å; E325-K352 PolarHBondContact OE1-N 2.83Å; E325-Y353 PolarHBondContact OE1-N 3.48Å; E325-Y353 PolarHBondContact OE2-N 3.07Å; E325-L354 PolarHBondContact OE2-N 3.24Å
326L93.3Very high87.9Confident4 Ų462 Ų622%0.02133%0.327CS..Hα-helixtrans-63.8-41.8178.1-63.6175.7000112.3L322 R323 E324 R329 G330 L331 L332 L351 I456 A459L322-L326 VanDerWaalsContact O-CG 3.29Å; L322-L326 WeakPolarHBondContact O-CG 3.44Å; L322-L326 PolarHBondContact O-N 2.95Å; R323-L326 PolarHBondContact O-N 2.88Å; E324-L326 PolarHBondContact O-N 2.82Å; L326-R329 PolarHBondContact O-N 3.44Å; L326-G330 PolarHBondContact O-N 2.95Å; L326-L331 HydrophobicContact CB-CB 4.45Å; L326-L331 HydrophobicContact CD2-CB 4.46Å; L326-L331 HydrophobicContact CD2-CD1 3.86Å; L326-L331 PolarHBondContact O-N 3.42Å; L326-L332 HydrophobicContact CB-CB 3.99Å; L326-L332 PolarHBondContact O-N 3.03Å; L326-L351 HydrophobicContact CD2-CD1 3.85Å; L326-L351 HydrophobicContact CD2-CD2 4.26Å; L326-I456 HydrophobicContact CD1-CG2 4.41Å; L326-I456 HydrophobicContact CD2-CG1 4.09Å; L326-I456 HydrophobicContact CD2-CG2 4.44Å; L326-A459 HydrophobicContact CD1-CB 3.93Å
327R91.3Very high86.9Confident120 Ų12059.6 Ų59.645%0.45331%0.31SS..Hα-helixtrans-61.2-46.5173.7-76.2-175.1-88.2125.5-10.5111.2E320 R323 E324 R329 G330 L332E320-R327 IonicContact OE1-CZ 2.81Å; E320-R327 IonicContact OE1-NH2 2.86Å; E320-R327 PolarHBondContact OE1-NH2 3.01Å; R323-R327 WeakPolarHBondContact O-CB 3.45Å; R323-R327 VanDerWaalsContact O-CG 3.32Å; R323-R327 WeakPolarHBondContact O-CG 3.43Å; R323-R327 PolarHBondContact O-N 3.22Å; E324-R327 VanDerWaalsContact CG-NH2 3.25Å; E324-R327 PolarHBondContact O-N 3.17Å; R327-R329 PolarHBondContact O-N 3.31Å; R327-G330 PolarHBondContact O-N 3.27Å; R327-L332 HydrophobicContact CG-CB 3.99Å; R327-L332 HydrophobicContact CG-CD2 3.88Å; R327-L332 HydrophobicContact CG-CG 4.34Å
328G91.2Very high85.3Confident71 Ų7155.1 Ų55.173%0.73229%0.292SS*.Hα-helixtrans-63.3-22.8178.600000114E324 E325E324-G328 PolarHBondContact O-N 3.49Å; E325-G328 PolarHBondContact O-N 3.38Å
329R89.8Confident83.5Confident134 Ų13461.2 Ų61.251%0.50633%0.332SS..THydrogen-bonded Turntrans-94.22.5174.4-61.4-67.8-76.7-174.2-1.9113.7E325 L326 R327 L331 S350 L351E325-R329 VanDerWaalsContact O-CG 3.29Å; E325-R329 WeakPolarHBondContact O-CG 3.3Å; E325-R329 PolarHBondContact O-N 2.81Å; E325-R329 VanDerWaalsContact O-N 3.09Å; L326-R329 PolarHBondContact O-N 3.44Å; R327-R329 PolarHBondContact O-N 3.31Å; R329-L331 HydrophobicContact CB-CD1 4.28Å; R329-L331 HydrophobicContact CB-CG 4.18Å; R329-L331 PolarHBondContact O-N 2.86Å; R329-S350 PolarHBondContact NH2-OG 3.46Å; R329-L351 HydrophobicContact CB-CD2 4.41Å; R329-L351 HydrophobicContact CG-CD2 3.8Å
330G87.4Confident81.7Confident30 Ų3069.8 Ų69.831%0.30937%0.371SS..THydrogen-bonded Turntrans7210.5-17900000114.6L326 R327 C338 Q341L326-G330 PolarHBondContact O-N 2.95Å; R327-G330 PolarHBondContact O-N 3.27Å; G330-C338 PolarHBondContact O-SG 3.39Å; G330-Q341 PolarHBondContact O-OE1 3.33Å
331L86.9Confident80.3Confident5 Ų572 Ų723%0.02638%0.381CS..  trans-80.6-26.1-178.5-66.4176.1000112.7L326 R329 L337 C338 L343 T347 L351L326-L331 HydrophobicContact CB-CB 4.45Å; L326-L331 HydrophobicContact CD2-CB 4.46Å; L326-L331 HydrophobicContact CD2-CD1 3.86Å; L326-L331 PolarHBondContact O-N 3.42Å; R329-L331 HydrophobicContact CB-CD1 4.28Å; R329-L331 HydrophobicContact CB-CG 4.18Å; R329-L331 PolarHBondContact O-N 2.86Å; L331-L337 WeakPolarHBondContact O-CA 3.17Å; L331-L337 WeakPolarHBondContact O-CD2 3.41Å; L331-C338 PolarHBondContact O-N 2.66Å; L331-C338 VanDerWaalsContact O-N 3.07Å; L331-L343 HydrophobicContact CD1-CD2 4.23Å; L331-L343 HydrophobicContact CD2-CD2 3.93Å; L331-T347 HydrophobicContact CD1-CG2 3.99Å; L331-T347 HydrophobicContact CD2-CG2 4.05Å; L331-T347 HydrophobicContact CG-CG2 4.41Å; L331-L351 HydrophobicContact CD1-CD1 4.34Å; L331-L351 HydrophobicContact CD1-CD2 4.24Å
332L83.2Confident79.1Confident14 Ų1474.2 Ų74.27%0.07340%0.396CS..EExtended strand (participates in β ladder)trans-115.9122.7-178.9-165.577.4000110.4R323 L326 R327 C336 S460R323-L332 HydrophobicContact CB-CD2 4.18Å; R323-L332 HydrophobicContact CG-CD2 4.33Å; L326-L332 HydrophobicContact CB-CB 3.99Å; L326-L332 PolarHBondContact O-N 3.03Å; R327-L332 HydrophobicContact CG-CB 3.99Å; R327-L332 HydrophobicContact CG-CD2 3.88Å; R327-L332 HydrophobicContact CG-CG 4.34Å; L332-C336 WeakPolarHBondContact CA-O 3.45Å; L332-C336 WeakPolarHBondContact CD1-O 3.49Å; L332-S460 VanDerWaalsContact CD1-CB 3.46Å
333H72.8Confident78.5Confident122 Ų12274.4 Ų74.457%0.56540%0.397SS*.EExtended strand (participates in β ladder)trans-129.5130.8172.9-17179.9000110G335 C336 C338H333-G335 PolarHBondContact O-N 2.79Å; H333-C336 PolarHBondContact N-O 2.68Å; H333-C336 PolarHBondContact O-N 3.26Å; H333-C336 VanDerWaalsContact O-O 3.09Å; H333-C338 WeakPolarHBondContact CB-SG 3.46Å
334N67.3Low78.4Confident146 Ų14679.2 Ų79.278%0.78142%0.415SS*.THydrogen-bonded Turntrans48.234-176.1-61.5-23.2000114.5C336N334-C336 VanDerWaalsContact C-N 3.34Å
335G63.3Low78.2Confident36 Ų3674.6 Ų74.637%0.37139%0.393SS..THydrogen-bonded Turntrans76.815.3179.300000114.9H333H333-G335 PolarHBondContact O-N 2.79Å
336C64.1Low78Confident54 Ų5477.6 Ų77.637%0.36541%0.411SS..EExtended strand (participates in β ladder)trans-128.6156.5173.4-66.60000110.8L332 H333 N334 C338L332-C336 WeakPolarHBondContact CA-O 3.45Å; L332-C336 WeakPolarHBondContact CD1-O 3.49Å; H333-C336 PolarHBondContact N-O 2.68Å; H333-C336 PolarHBondContact O-N 3.26Å; H333-C336 VanDerWaalsContact O-O 3.09Å; N334-C336 VanDerWaalsContact C-N 3.34Å; C336-C338 PolarHBondContact O-N 3.45Å
337L74.3Confident78Confident33 Ų3378.6 Ų78.617%0.17342%0.417CS..EExtended strand (participates in β ladder)trans-63.9135.2170-70.7176.3000110.2L331 P339 L343 I456 E457L331-L337 WeakPolarHBondContact O-CA 3.17Å; L331-L337 WeakPolarHBondContact O-CD2 3.41Å; L337-P339 VanDerWaalsContact O-CD 3.27Å; L337-P339 WeakPolarHBondContact O-CD 3.08Å; L337-L343 HydrophobicContact CD1-CD1 4.47Å; L337-I456 HydrophobicContact CD1-CG2 4.35Å; L337-I456 HydrophobicContact CD2-CG2 3.88Å; L337-E457 VanDerWaalsContact CD1-OE1 3.32Å; L337-E457 WeakPolarHBondContact CD1-OE1 3.44Å
338C62.7Low78.1Confident25 Ų2572.9 Ų72.917%0.16940%0.395CS..  trans-62.6116.5178.8-670000110.7G330 L331 H333 C336 E340 Q341G330-C338 PolarHBondContact O-SG 3.39Å; L331-C338 PolarHBondContact O-N 2.66Å; L331-C338 VanDerWaalsContact O-N 3.07Å; H333-C338 WeakPolarHBondContact CB-SG 3.46Å; C336-C338 PolarHBondContact O-N 3.45Å; C338-E340 PolarHBondContact O-N 2.74Å; C338-E340 VanDerWaalsContact O-N 3.1Å; C338-Q341 HydrophobicContact CB-CB 4.24Å; C338-Q341 PolarHBondContact O-N 2.73Å; C338-Q341 VanDerWaalsContact O-N 3.1Å
339P60.6Low78.2Confident135 Ų13573.1 Ų73.188%0.87738%0.379SS*.THydrogen-bonded Turntrans-61.3-23.1-178.4-23.234000113.9L337L337-P339 VanDerWaalsContact O-CD 3.27Å; L337-P339 WeakPolarHBondContact O-CD 3.08Å
340E55.7Low78.4Confident195 Ų19568.7 Ų68.791%0.91137%0.369SS*.THydrogen-bonded Turntrans-87.1-8-177.5-64.7162-174.900113.1C338C338-E340 PolarHBondContact O-N 2.74Å; C338-E340 VanDerWaalsContact O-N 3.1Å
341Q66.1Low78.9Confident97 Ų9767.3 Ų67.345%0.45335%0.354SS..SBendtrans-115.7100.7177.9-73.7-172.73.200111G330 C338 L343G330-Q341 PolarHBondContact O-OE1 3.33Å; C338-Q341 HydrophobicContact CB-CB 4.24Å; C338-Q341 PolarHBondContact O-N 2.73Å; C338-Q341 VanDerWaalsContact O-N 3.1Å; Q341-L343 PolarHBondContact O-N 3.34Å
342E70.9Confident79.4Confident142 Ų14273.7 Ų73.766%0.66438%0.382SS*.  trans-61.1131.3168-171.3174.7-163.300110.4R344E342-R344 PolarHBondContact O-N 2.92Å
343L84.4Confident80.1Confident7 Ų773.9 Ų73.94%0.03738%0.382CS..  trans-66.9108174.5-79.9-179000109.4L158 Q162 L331 L337 Q341 I348 I456L158-L343 HydrophobicContact CD2-CB 4.29Å; L158-L343 WeakPolarHBondContact CD2-O 3.28Å; Q162-L343 VanDerWaalsContact NE2-CD1 3.3Å; L331-L343 HydrophobicContact CD1-CD2 4.23Å; L331-L343 HydrophobicContact CD2-CD2 3.93Å; L337-L343 HydrophobicContact CD1-CD1 4.47Å; Q341-L343 PolarHBondContact O-N 3.34Å; L343-I348 HydrophobicContact CB-CD1 4.35Å; L343-I348 HydrophobicContact CD2-CG1 4.4Å; L343-I456 HydrophobicContact CD1-CG2 4.2Å
344R89.8Confident81.3Confident155 Ų15568.2 Ų68.259%0.58536%0.356SS*.  trans-89.9149.5172.4-60.8-161.9-59-89.40111.6E342 D346 T347 I348E342-R344 PolarHBondContact O-N 2.92Å; R344-D346 VanDerWaalsContact C-N 3.32Å; R344-D346 PolarHBondContact O-N 3.13Å; R344-T347 WeakPolarHBondContact O-CB 3.43Å; R344-T347 PolarHBondContact O-N 3.07Å; R344-T347 VanDerWaalsContact O-N 3.07Å; R344-I348 PolarHBondContact O-N 2.84Å
345L92.3Very high82.8Confident4 Ų463.1 Ų63.12%0.02133%0.328CS..Hα-helixtrans-57.2-44.9-179.5-179.957.4000111.8H151 L154 E155 L158 T347 I348 I349 L449H151-L345 VanDerWaalsContact CE1-CD2 3.46Å; H151-L345 WeakPolarHBondContact CE1-CD2 3.31Å; L154-L345 HydrophobicContact CB-CD2 4.14Å; E155-L345 HydrophobicContact CB-CD2 4.04Å; E155-L345 HydrophobicContact CG-CB 4.42Å; L158-L345 HydrophobicContact CD1-CB 3.92Å; L158-L345 HydrophobicContact CD1-CD1 4.45Å; L345-T347 VanDerWaalsContact C-N 3.31Å; L345-T347 PolarHBondContact O-N 3.5Å; L345-I348 PolarHBondContact O-N 2.8Å; L345-I349 HydrophobicContact CD1-CD1 3.84Å; L345-I349 HydrophobicContact CD1-CG1 4.21Å; L345-I349 HydrophobicContact CG-CD1 3.75Å; L345-I349 VanDerWaalsContact O-CG1 3.3Å; L345-I349 WeakPolarHBondContact O-CG1 3.48Å; L345-I349 PolarHBondContact O-N 2.88Å; L345-L449 HydrophobicContact CD1-CD1 3.63Å; L345-L449 HydrophobicContact CD1-CD2 3.96Å; L345-L449 HydrophobicContact CD1-CG 4.39Å
346D91.7Very high84.5Confident101 Ų10161.9 Ų61.954%0.5431%0.314SS..Hα-helixtrans-61.8-38.2176.7-72.4-21.6000113H151 R344 I349 S350H151-D346 IonicContact CE1-OD1 3.26Å; R344-D346 VanDerWaalsContact C-N 3.32Å; R344-D346 PolarHBondContact O-N 3.13Å; D346-I349 PolarHBondContact O-N 3Å; D346-S350 WeakPolarHBondContact O-CB 3.49Å; D346-S350 PolarHBondContact O-N 2.74Å; D346-S350 PolarHBondContact O-OG 3.42Å
347T92.1Very high86.1Confident24 Ų2459.3 Ų59.315%0.14730%0.296CS..Hα-helixtrans-62.7-46.6176.1-56.80000110.2L331 R344 L345 I349 S350L331-T347 HydrophobicContact CD1-CG2 3.99Å; L331-T347 HydrophobicContact CD2-CG2 4.05Å; L331-T347 HydrophobicContact CG-CG2 4.41Å; R344-T347 WeakPolarHBondContact O-CB 3.43Å; R344-T347 PolarHBondContact O-N 3.07Å; R344-T347 VanDerWaalsContact O-N 3.07Å; L345-T347 VanDerWaalsContact C-N 3.31Å; L345-T347 PolarHBondContact O-N 3.5Å; T347-I349 PolarHBondContact O-N 2.9Å; T347-S350 PolarHBondContact O-N 2.9Å; T347-S350 PolarHBondContact O-OG 3.15Å
348I94.4Very high87.3Confident0 Ų057.9 Ų57.90%029%0.289CS..Hα-helixtrans-62.4-43.9178-64.1173000111.4L158 L343 R344 L345 S350 L351 L449 R452 I453 I456L158-I348 HydrophobicContact CD1-CD1 3.71Å; L158-I348 HydrophobicContact CG-CD1 4.27Å; L343-I348 HydrophobicContact CB-CD1 4.35Å; L343-I348 HydrophobicContact CD2-CG1 4.4Å; R344-I348 PolarHBondContact O-N 2.84Å; L345-I348 PolarHBondContact O-N 2.8Å; I348-S350 PolarHBondContact O-N 3.38Å; I348-L351 PolarHBondContact O-N 3.41Å; I348-L449 HydrophobicContact CD1-CD1 4.01Å; I348-L449 HydrophobicContact CG2-CD1 4.14Å; I348-R452 HydrophobicContact CG2-CB 3.65Å; I348-R452 HydrophobicContact CG2-CG 4.29Å; I348-I453 HydrophobicContact CD1-CD1 4.32Å; I348-I453 HydrophobicContact CD1-CG1 3.8Å; I348-I456 HydrophobicContact CG1-CD1 4.03Å; I348-I456 HydrophobicContact CG2-CD1 4.27Å
349I92.8Very high89Confident77 Ų7758.5 Ų58.540%0.39529%0.289SS..Hα-helixtrans-65-28.7179.8-67.5166.6000111.4L345 D346 T347 L351L345-I349 HydrophobicContact CD1-CD1 3.84Å; L345-I349 HydrophobicContact CD1-CG1 4.21Å; L345-I349 HydrophobicContact CG-CD1 3.75Å; L345-I349 VanDerWaalsContact O-CG1 3.3Å; L345-I349 WeakPolarHBondContact O-CG1 3.48Å; L345-I349 PolarHBondContact O-N 2.88Å; D346-I349 PolarHBondContact O-N 3Å; T347-I349 PolarHBondContact O-N 2.9Å; I349-L351 VanDerWaalsContact C-N 3.31Å; I349-L351 PolarHBondContact O-N 3.08Å
350S94.3Very high90.8Very high41 Ų4152 Ų5229%0.28725%0.247SC..THydrogen-bonded Turntrans-76.9-9.5-179.774.70000115.3R329 D346 T347 I348 K352R329-S350 PolarHBondContact NH2-OG 3.46Å; D346-S350 WeakPolarHBondContact O-CB 3.49Å; D346-S350 PolarHBondContact O-N 2.74Å; D346-S350 PolarHBondContact O-OG 3.42Å; T347-S350 PolarHBondContact O-N 2.9Å; T347-S350 PolarHBondContact O-OG 3.15Å; I348-S350 PolarHBondContact O-N 3.38Å; S350-K352 PolarHBondContact O-N 3.22Å; S350-K352 VanDerWaalsContact O-N 3.11Å
351L96.8Very high92.8Very high0 Ų042.8 Ų42.80%020%0.204CC..  trans-74.996.7178.2-61.6172.8000109.9E325 L326 R329 L331 I348 I349 L354 D355 I456E325-L351 HydrophobicContact CG-CD2 3.99Å; L326-L351 HydrophobicContact CD2-CD1 3.85Å; L326-L351 HydrophobicContact CD2-CD2 4.26Å; R329-L351 HydrophobicContact CB-CD2 4.41Å; R329-L351 HydrophobicContact CG-CD2 3.8Å; L331-L351 HydrophobicContact CD1-CD1 4.34Å; L331-L351 HydrophobicContact CD1-CD2 4.24Å; I348-L351 PolarHBondContact O-N 3.41Å; I349-L351 VanDerWaalsContact C-N 3.31Å; I349-L351 PolarHBondContact O-N 3.08Å; L351-L354 HydrophobicContact CB-CB 3.72Å; L351-L354 HydrophobicContact CB-CD2 4.1Å; L351-L354 HydrophobicContact CD1-CD2 3.65Å; L351-D355 PolarHBondContact O-N 3.49Å; L351-I456 HydrophobicContact CD1-CD1 3.78Å; L351-I456 HydrophobicContact CD1-CG1 4.18Å
352K97.1Very high94.3Very high140 Ų14038.4 Ų38.461%0.60918%0.183SC*.Hα-helixtrans-70.8-44.5-170.5-67-173.7177.7-174.30112E325 S350 D355 C356E325-K352 PolarHBondContact OE1-N 2.83Å; S350-K352 PolarHBondContact O-N 3.22Å; S350-K352 VanDerWaalsContact O-N 3.11Å; K352-D355 WeakPolarHBondContact O-CB 3.17Å; K352-D355 PolarHBondContact O-N 2.9Å; K352-C356 PolarHBondContact O-N 3.3Å; K352-C356 VanDerWaalsContact O-N 3.11Å; K352-C356 PolarHBondContact O-SG 3.1Å
353Y98.5Very high95.6Very high18 Ų1831.6 Ų31.67%0.07115%0.152CC..Hα-helixtrans-70.3-39.7-179.8-174-114000110.7V318 R321 L322 E325 D355 C356 V357 P414V318-Y353 HydrophobicContact CG1-CE1 4.24Å; R321-Y353 HydrophobicContact CB-CD1 4.15Å; R321-Y353 HydrophobicContact CB-CE1 3.53Å; R321-Y353 VanDerWaalsContact CD-CZ 3.48Å; R321-Y353 HydrophobicContact CG-CD1 3.74Å; R321-Y353 HydrophobicContact CG-CE1 3.5Å; R321-Y353 VanDerWaalsContact CG-CE1 3.5Å; R321-Y353 HydrophobicContact CG-CE2 4.3Å; R321-Y353 HydrophobicContact CG-CG 4.24Å; R321-Y353 VanDerWaalsContact CZ-CD2 3.44Å; R321-Y353 VanDerWaalsContact NH1-CE2 3.33Å; L322-Y353 HydrophobicContact CD2-CD1 3.75Å; L322-Y353 HydrophobicContact CD2-CE1 4.17Å; L322-Y353 HydrophobicContact CG-CD1 4.08Å; L322-Y353 HydrophobicContact CG-CE1 4.06Å; E325-Y353 PolarHBondContact OE1-N 3.48Å; E325-Y353 PolarHBondContact OE2-N 3.07Å; Y353-D355 VanDerWaalsContact C-N 3.32Å; Y353-D355 PolarHBondContact O-N 2.84Å; Y353-C356 VanDerWaalsContact O-CB 3.29Å; Y353-C356 WeakPolarHBondContact O-CB 3.36Å; Y353-C356 PolarHBondContact O-N 3.43Å; Y353-C356 VanDerWaalsContact O-N 3.1Å; Y353-V357 HydrophobicContact CD1-CG2 4.24Å; Y353-V357 HydrophobicContact CE1-CG2 3.85Å; Y353-V357 HydrophobicContact CE2-CG2 4.47Å; Y353-V357 WeakPolarHBondContact O-CG2 3.18Å; Y353-V357 PolarHBondContact O-N 3.41Å; Y353-P414 HydrophobicContact CE2-CB 3.92Å
354L98.5Very high96.1Very high3 Ų332.3 Ų32.32%0.01616%0.155CC..Hα-helixtrans-55.8-44.6169.7178.759.1000112.6L322 E325 L351 C356 V357 I358 R452 A455 I456L322-L354 HydrophobicContact CD2-CB 3.89Å; L322-L354 HydrophobicContact CD2-CD1 3.9Å; E325-L354 PolarHBondContact OE2-N 3.24Å; L351-L354 HydrophobicContact CB-CB 3.72Å; L351-L354 HydrophobicContact CB-CD2 4.1Å; L351-L354 HydrophobicContact CD1-CD2 3.65Å; L354-C356 VanDerWaalsContact C-N 3.29Å; L354-C356 PolarHBondContact O-N 3.1Å; L354-V357 PolarHBondContact O-N 2.94Å; L354-I358 HydrophobicContact CD1-CD1 4.23Å; L354-I358 HydrophobicContact CD1-CG1 4.06Å; L354-I358 HydrophobicContact CG-CG1 4.48Å; L354-I358 WeakPolarHBondContact O-CG1 3.26Å; L354-I358 PolarHBondContact O-N 3.15Å; L354-R452 HydrophobicContact CD2-CB 3.78Å; L354-R452 HydrophobicContact CD2-CG 3.87Å; L354-R452 HydrophobicContact CG-CB 4.41Å; L354-R452 HydrophobicContact CG-CG 4.03Å; L354-A455 HydrophobicContact CD1-CB 3.45Å; L354-A455 VanDerWaalsContact CD1-CB 3.45Å; L354-I456 HydrophobicContact CD2-CD1 3.98Å; L354-I456 HydrophobicContact CD2-CG1 3.85Å
355D98.2Very high96.4Very high38 Ų3826.6 Ų26.620%0.20313%0.134CC..Hα-helixtrans-57.9-43.4174.7-171.562.1000112L351 K352 Y353 V357 I358 K359 R452L351-D355 PolarHBondContact O-N 3.49Å; K352-D355 WeakPolarHBondContact O-CB 3.17Å; K352-D355 PolarHBondContact O-N 2.9Å; Y353-D355 VanDerWaalsContact C-N 3.32Å; Y353-D355 PolarHBondContact O-N 2.84Å; D355-V357 PolarHBondContact O-N 3.05Å; D355-I358 PolarHBondContact O-N 3.11Å; D355-K359 WeakPolarHBondContact O-CB 3.48Å; D355-K359 WeakPolarHBondContact O-CG 3.34Å; D355-K359 PolarHBondContact O-N 3.34Å; D355-K359 WeakPolarHBondContact OD2-CE 3.34Å; D355-K359 IonicContact OD2-NZ 2.9Å; D355-R452 IonicContact OD1-CZ 3.33Å; D355-R452 IonicContact OD1-NH2 2.65Å; D355-R452 PolarHBondContact OD1-NH2 3.2Å
356C98.6Very high96.6Very high10 Ų1026.4 Ų26.47%0.06813%0.133CC..Hα-helixtrans-59.8-45.3176.5-65.30000112.1K352 Y353 L354 K359 E360 P414 F417K352-C356 PolarHBondContact O-N 3.3Å; K352-C356 VanDerWaalsContact O-N 3.11Å; K352-C356 PolarHBondContact O-SG 3.1Å; Y353-C356 VanDerWaalsContact O-CB 3.29Å; Y353-C356 WeakPolarHBondContact O-CB 3.36Å; Y353-C356 PolarHBondContact O-N 3.43Å; Y353-C356 VanDerWaalsContact O-N 3.1Å; L354-C356 VanDerWaalsContact C-N 3.29Å; L354-C356 PolarHBondContact O-N 3.1Å; C356-K359 PolarHBondContact O-N 3.47Å; C356-E360 PolarHBondContact O-N 3.03Å; C356-P414 HydrophobicContact CB-CB 4.1Å; C356-P414 WeakPolarHBondContact CB-O 3.42Å; C356-F417 HydrophobicContact CB-CB 4.23Å; C356-F417 VanDerWaalsContact SG-C 3.58Å; C356-F417 PolarHBondContact SG-O 3.42Å
357V98.8Very high96.8Very high0 Ų022.1 Ų22.10%011%0.111CC..Hα-helixtrans-62.3-48.8177.5173.20000111.1L308 L312 V318 L322 Y353 L354 D355 K359 E360 V361 F412 P414L308-V357 HydrophobicContact CD1-CG1 4.23Å; L312-V357 HydrophobicContact CD2-CG1 4.48Å; V318-V357 HydrophobicContact CG1-CG1 4.19Å; V318-V357 HydrophobicContact CG1-CG2 3.5Å; L322-V357 HydrophobicContact CD1-CG1 4.38Å; L322-V357 HydrophobicContact CD1-CG2 4.41Å; L322-V357 HydrophobicContact CD2-CB 4.48Å; L322-V357 HydrophobicContact CD2-CG2 4.01Å; L322-V357 HydrophobicContact CG-CG2 4.29Å; Y353-V357 HydrophobicContact CD1-CG2 4.24Å; Y353-V357 HydrophobicContact CE1-CG2 3.85Å; Y353-V357 HydrophobicContact CE2-CG2 4.47Å; Y353-V357 WeakPolarHBondContact O-CG2 3.18Å; Y353-V357 PolarHBondContact O-N 3.41Å; L354-V357 PolarHBondContact O-N 2.94Å; D355-V357 PolarHBondContact O-N 3.05Å; V357-K359 VanDerWaalsContact C-N 3.3Å; V357-K359 PolarHBondContact O-N 3.43Å; V357-E360 PolarHBondContact O-N 2.91Å; V357-V361 HydrophobicContact CG1-CG2 4.49Å; V357-V361 WeakPolarHBondContact O-CG2 3.43Å; V357-V361 PolarHBondContact O-N 3.41Å; V357-F412 HydrophobicContact CG1-CZ 4.27Å; V357-P414 HydrophobicContact CG2-CB 3.93Å; V357-P414 HydrophobicContact CG2-CG 3.87Å
358I98.7Very high96.9Very high3 Ų323.7 Ų23.72%0.01512%0.12CC..Hα-helixtrans-62.4-40.6179.6-62.9-47.3000110.9L308 L354 D355 E360 V361 L362 T448 L451 R452 A455L308-I358 HydrophobicContact CD1-CD1 3.91Å; L308-I358 HydrophobicContact CD2-CD1 4.18Å; L354-I358 HydrophobicContact CD1-CD1 4.23Å; L354-I358 HydrophobicContact CD1-CG1 4.06Å; L354-I358 HydrophobicContact CG-CG1 4.48Å; L354-I358 WeakPolarHBondContact O-CG1 3.26Å; L354-I358 PolarHBondContact O-N 3.15Å; D355-I358 PolarHBondContact O-N 3.11Å; I358-E360 PolarHBondContact O-N 3.36Å; I358-V361 PolarHBondContact O-N 3.19Å; I358-L362 HydrophobicContact CG2-CD1 4.06Å; I358-L362 HydrophobicContact CG2-CG 4.46Å; I358-L362 WeakPolarHBondContact O-CG 3.39Å; I358-L362 PolarHBondContact O-N 2.68Å; I358-T448 HydrophobicContact CG2-CG2 4.25Å; I358-L451 HydrophobicContact CD1-CB 3.87Å; I358-L451 HydrophobicContact CG1-CB 4.43Å; I358-L451 HydrophobicContact CG2-CB 4.26Å; I358-L451 HydrophobicContact CG2-CD1 4.06Å; I358-R452 HydrophobicContact CG1-CG 4.03Å; I358-A455 HydrophobicContact CD1-CB 4.46Å
359K98.4Very high96.7Very high38 Ų3824.2 Ų24.217%0.16512%0.124CC..Hα-helixtrans-62.6-42.9177-75.4-178176.1-178.40112.5D355 C356 V357 L362 R363 F417 D424 Y431D355-K359 WeakPolarHBondContact O-CB 3.48Å; D355-K359 WeakPolarHBondContact O-CG 3.34Å; D355-K359 PolarHBondContact O-N 3.34Å; D355-K359 WeakPolarHBondContact OD2-CE 3.34Å; D355-K359 IonicContact OD2-NZ 2.9Å; C356-K359 PolarHBondContact O-N 3.47Å; V357-K359 VanDerWaalsContact C-N 3.3Å; V357-K359 PolarHBondContact O-N 3.43Å; K359-L362 PolarHBondContact O-N 3.18Å; K359-R363 WeakPolarHBondContact O-CB 3.32Å; K359-R363 PolarHBondContact O-N 2.95Å; K359-F417 HydrophobicContact CB-CB 4.35Å; K359-F417 HydrophobicContact CB-CD1 3.79Å; K359-F417 HydrophobicContact CB-CD2 3.69Å; K359-F417 HydrophobicContact CB-CE1 3.88Å; K359-F417 HydrophobicContact CB-CE2 3.8Å; K359-F417 HydrophobicContact CB-CG 3.67Å; K359-F417 HydrophobicContact CB-CZ 3.9Å; K359-F417 HydrophobicContact CD-CB 3.89Å; K359-F417 HydrophobicContact CD-CD1 3.48Å; K359-F417 VanDerWaalsContact CD-CD1 3.48Å; K359-F417 HydrophobicContact CD-CE1 4.1Å; K359-F417 HydrophobicContact CD-CG 3.74Å; K359-F417 HydrophobicContact CG-CD1 4.28Å; K359-F417 HydrophobicContact CG-CG 4.41Å; K359-D424 IonicContact NZ-OD2 3.69Å; K359-D424 PolarHBondContact NZ-OD2 3Å; K359-Y431 WeakPolarHBondContact CA-OH 3.4Å; K359-Y431 HydrophobicContact CB-CE1 4.49Å; K359-Y431 HydrophobicContact CB-CE2 4.46Å; K359-Y431 HydrophobicContact CD-CE1 4.34Å; K359-Y431 HydrophobicContact CG-CE1 4.07Å; K359-Y431 WeakPolarHBondContact O-CE2 3.46Å; K359-Y431 PolarHBondContact O-OH 3.21Å
360E98.5Very high96.7Very high0 Ų021.2 Ų21.20%011%0.112CC..Hα-helixtrans-68.5-38.1179.1-176.464.1173.100112.6C356 V357 I358 L362 R363 L364 F412 D413 R416 F417C356-E360 PolarHBondContact O-N 3.03Å; V357-E360 PolarHBondContact O-N 2.91Å; I358-E360 PolarHBondContact O-N 3.36Å; E360-L362 VanDerWaalsContact C-N 3.34Å; E360-L362 PolarHBondContact O-N 2.91Å; E360-R363 PolarHBondContact O-N 3.05Å; E360-R363 IonicContact OE1-CZ 2.7Å; E360-R363 IonicContact OE1-NE 3.28Å; E360-R363 IonicContact OE1-NH2 3.85Å; E360-R363 PolarHBondContact OE1-NH2 3.16Å; E360-R363 IonicContact OE2-CZ 2.87Å; E360-R363 IonicContact OE2-NE 3.8Å; E360-R363 PolarHBondContact OE2-NE 3.2Å; E360-R363 IonicContact OE2-NH2 2.69Å; E360-L364 HydrophobicContact CG-CD1 4.11Å; E360-L364 PolarHBondContact O-N 3.32Å; E360-L364 WeakPolarHBondContact OE1-CD1 3.2Å; E360-F412 HydrophobicContact CB-CE2 4.08Å; E360-F412 HydrophobicContact CB-CZ 4.32Å; E360-F412 HydrophobicContact CG-CD2 3.7Å; E360-F412 HydrophobicContact CG-CE2 3.67Å; E360-F412 HydrophobicContact CG-CG 4.16Å; E360-F412 HydrophobicContact CG-CZ 4.15Å; E360-D413 PolarHBondContact OE1-N 2.94Å; E360-R416 WeakPolarHBondContact OE1-CD 3.41Å; E360-R416 IonicContact OE1-NE 2.66Å; E360-R416 WeakPolarHBondContact OE2-CD 3.49Å; E360-F417 HydrophobicContact CB-CD2 4.12Å; E360-F417 HydrophobicContact CB-CE2 3.81Å; E360-F417 VanDerWaalsContact OE2-CE2 3.23Å; E360-F417 WeakPolarHBondContact OE2-CE2 3.43Å
361V98.5Very high96.7Very high0 Ų020.4 Ų20.40%011%0.108CC..Hα-helixtrans-57.3-47.9170.7170.60000110.8L308 A311 V357 I358 R363 Y365 F412L308-V361 HydrophobicContact CB-CG1 4.31Å; L308-V361 HydrophobicContact CD1-CG2 4.07Å; A311-V361 HydrophobicContact CB-CG2 4Å; V357-V361 HydrophobicContact CG1-CG2 4.49Å; V357-V361 WeakPolarHBondContact O-CG2 3.43Å; V357-V361 PolarHBondContact O-N 3.41Å; I358-V361 PolarHBondContact O-N 3.19Å; V361-R363 VanDerWaalsContact C-N 3.33Å; V361-R363 PolarHBondContact O-N 2.65Å; V361-Y365 WeakPolarHBondContact O-CA 3.29Å; V361-Y365 WeakPolarHBondContact O-CB 3.21Å; V361-Y365 PolarHBondContact O-N 2.91Å; V361-F412 HydrophobicContact CG2-CE2 3.7Å; V361-F412 HydrophobicContact CG2-CZ 3.95Å
362L98.1Very high96.6Very high5 Ų524.4 Ų24.43%0.02612%0.123CC..Hα-helixtrans-72-25.7-178.9-68.2176.6000113.3A304 I358 K359 E360 T366 P367 P433 F434 L451A304-L362 HydrophobicContact CB-CD2 4.09Å; I358-L362 HydrophobicContact CG2-CD1 4.06Å; I358-L362 HydrophobicContact CG2-CG 4.46Å; I358-L362 WeakPolarHBondContact O-CG 3.39Å; I358-L362 PolarHBondContact O-N 2.68Å; K359-L362 PolarHBondContact O-N 3.18Å; E360-L362 VanDerWaalsContact C-N 3.34Å; E360-L362 PolarHBondContact O-N 2.91Å; L362-T366 VanDerWaalsContact O-CA 3.23Å; L362-T366 WeakPolarHBondContact O-CA 3.32Å; L362-T366 WeakPolarHBondContact O-CB 3.43Å; L362-T366 PolarHBondContact O-N 3.12Å; L362-T366 PolarHBondContact O-OG1 3.43Å; L362-P367 HydrophobicContact CD2-CG 4.16Å; L362-P433 HydrophobicContact CB-CB 3.88Å; L362-P433 HydrophobicContact CB-CG 4.2Å; L362-F434 HydrophobicContact CD1-CE2 3.79Å; L362-F434 HydrophobicContact CD1-CZ 3.61Å; L362-L451 HydrophobicContact CD1-CD1 4.49Å; L362-L451 HydrophobicContact CD2-CD1 4.14Å; L362-L451 HydrophobicContact CG-CD1 4.46Å
363R97.2Very high96.6Very high0 Ų018.3 Ų18.30%010%0.097CC..Hα-helixtrans-68.7-56.5172.8-169.9-165.864.682.1-6.3110.9K359 E360 V361 T366 H400 F406 V409 A411 F417 Y431K359-R363 WeakPolarHBondContact O-CB 3.32Å; K359-R363 PolarHBondContact O-N 2.95Å; E360-R363 PolarHBondContact O-N 3.05Å; E360-R363 IonicContact OE1-CZ 2.7Å; E360-R363 IonicContact OE1-NE 3.28Å; E360-R363 IonicContact OE1-NH2 3.85Å; E360-R363 PolarHBondContact OE1-NH2 3.16Å; E360-R363 IonicContact OE2-CZ 2.87Å; E360-R363 IonicContact OE2-NE 3.8Å; E360-R363 PolarHBondContact OE2-NE 3.2Å; E360-R363 IonicContact OE2-NH2 2.69Å; V361-R363 VanDerWaalsContact C-N 3.33Å; V361-R363 PolarHBondContact O-N 2.65Å; R363-T366 PolarHBondContact O-OG1 3.26Å; R363-T366 VanDerWaalsContact O-OG1 3.06Å; R363-H400 HydrophobicContact CG-CB 3.94Å; R363-H400 PolarHBondContact O-ND1 3.08Å; R363-F406 HydrophobicContact CG-CD2 4.47Å; R363-F406 HydrophobicContact CG-CE2 4.08Å; R363-V409 PolarHBondContact NH1-O 3.45Å; R363-V409 PolarHBondContact NH2-O 2.84Å; R363-A411 PolarHBondContact NH2-O 3.2Å; R363-F417 HydrophobicContact CB-CZ 4.11Å; R363-F417 HydrophobicContact CG-CZ 4.48Å; R363-Y431 HydrophobicContact CB-CD2 4.35Å; R363-Y431 HydrophobicContact CB-CE2 4.02Å; R363-Y431 HydrophobicContact CG-CD2 4.49Å
364L95.4Very high96.5Very high21 Ų2119.3 Ų19.311%0.1111%0.105CC..Hα-helixtrans-72.5-42-175-81.6168.8000113.2E360 V409 F412E360-L364 HydrophobicContact CG-CD1 4.11Å; E360-L364 PolarHBondContact O-N 3.32Å; E360-L364 WeakPolarHBondContact OE1-CD1 3.2Å; L364-V409 WeakPolarHBondContact CD2-O 3.39Å; L364-F412 HydrophobicContact CD1-CB 3.84Å; L364-F412 HydrophobicContact CD1-CD2 3.57Å; L364-F412 HydrophobicContact CD1-CG 4.16Å
365Y95.7Very high96.5Very high35 Ų3519.2 Ų19.214%0.13710%0.104CC..THydrogen-bonded Turntrans-115.950.8-175.5-52.9-71.7000110.4S307 M310 A311 V361 P367 V474S307-Y365 VanDerWaalsContact CB-CB 3.47Å; S307-Y365 WeakPolarHBondContact OG-CB 3.45Å; M310-Y365 HydrophobicContact CE-CD1 3.85Å; M310-Y365 HydrophobicContact CE-CE1 3.4Å; M310-Y365 HydrophobicContact CE-CE2 4.17Å; M310-Y365 HydrophobicContact CE-CG 4.4Å; A311-Y365 HydrophobicContact CB-CE2 4.49Å; V361-Y365 WeakPolarHBondContact O-CA 3.29Å; V361-Y365 WeakPolarHBondContact O-CB 3.21Å; V361-Y365 PolarHBondContact O-N 2.91Å; Y365-P367 WeakPolarHBondContact O-CD 3.41Å; Y365-V474 HydrophobicContact CE1-CG2 4.33Å
366T95.4Very high96.5Very high0 Ų021.3 Ų21.30%011%0.114CC..  trans-54.3111.5-179.7-55.70000111L362 R363 V368 I396 H400 V480L362-T366 VanDerWaalsContact O-CA 3.23Å; L362-T366 WeakPolarHBondContact O-CA 3.32Å; L362-T366 WeakPolarHBondContact O-CB 3.43Å; L362-T366 PolarHBondContact O-N 3.12Å; L362-T366 PolarHBondContact O-OG1 3.43Å; R363-T366 PolarHBondContact O-OG1 3.26Å; R363-T366 VanDerWaalsContact O-OG1 3.06Å; T366-V368 WeakPolarHBondContact CG2-O 3.26Å; T366-V368 PolarHBondContact O-N 2.93Å; T366-V368 VanDerWaalsContact O-N 3.09Å; T366-I396 HydrophobicContact CG2-CB 4.25Å; T366-I396 HydrophobicContact CG2-CG2 3.63Å; T366-H400 PolarHBondContact OG1-CE1 2.87Å; T366-H400 PolarHBondContact OG1-ND1 3.29Å; T366-V480 WeakPolarHBondContact O-CG2 3.45Å
367P96.1Very high96.4Very high12 Ų1225.6 Ų25.68%0.07813%0.133CC..SBendtrans-55.7-38.2-170.9-30.837.3000114.1S303 A304 L362 Y365 V479 V480S303-P367 WeakPolarHBondContact OG-CA 3.22Å; A304-P367 HydrophobicContact CB-CG 3.83Å; L362-P367 HydrophobicContact CD2-CG 4.16Å; Y365-P367 WeakPolarHBondContact O-CD 3.41Å; P367-V479 WeakPolarHBondContact O-CA 3.4Å; P367-V480 PolarHBondContact O-N 2.97Å; P367-V480 VanDerWaalsContact O-N 3.09Å
368V94.1Very high96.4Very high56 Ų5627.3 Ų27.334%0.33914%0.143SC..SBendtrans-114.2106.9176.2-179.10000109.2T300 T366 G370T300-V368 HydrophobicContact CG2-CG2 3.7Å; T366-V368 WeakPolarHBondContact CG2-O 3.26Å; T366-V368 PolarHBondContact O-N 2.93Å; T366-V368 VanDerWaalsContact O-N 3.09Å; V368-G370 WeakPolarHBondContact CG1-O 3.26Å; V368-G370 PolarHBondContact O-N 3.33Å; V368-G370 VanDerWaalsContact O-N 3.1Å
369S91.3Very high96.3Very high12 Ų1227.9 Ų27.98%0.08415%0.146CC..  trans-64.9-14.9-174.6-67.20000115S395 I396 R397 T476S369-S395 CarbonylContact O-C 3.59Å; S369-S395 WeakPolarHBondContact O-CA 3.16Å; S369-S395 PolarHBondContact O-OG 3.21Å; S369-I396 PolarHBondContact O-N 3.49Å; S369-R397 PolarHBondContact O-N 2.89Å; S369-T476 PolarHBondContact OG-O 3.42Å
370G93.1Very high96.3Very high14 Ų1430.4 Ų30.414%0.14416%0.158CC..EExtended strand (participates in β ladder)trans160.6-177.2-176.600000111.9V368 Y394V368-G370 WeakPolarHBondContact CG1-O 3.26Å; V368-G370 PolarHBondContact O-N 3.33Å; V368-G370 VanDerWaalsContact O-N 3.1Å; G370-Y394 WeakPolarHBondContact CA-O 3.21Å
371A93.8Very high96.3Very high24 Ų2430.5 Ų30.520%0.19816%0.159CC..EExtended strand (participates in β ladder)trans-145.3163.1174.200000112.1M393 Y394A371-M393 WeakPolarHBondContact O-CA 3.39Å; A371-Y394 HydrophobicContact CB-CE1 3.78Å; A371-Y394 WeakPolarHBondContact CB-OH 3.39Å; A371-Y394 PolarHBondContact N-O 2.68Å; A371-Y394 VanDerWaalsContact O-CD1 3.29Å; A371-Y394 WeakPolarHBondContact O-CD1 3.46Å; A371-Y394 WeakPolarHBondContact O-CE1 3.25Å; A371-Y394 PolarHBondContact O-N 2.63Å
372Y94.3Very high96.1Very high84 Ų8434.8 Ų34.833%0.32918%0.181SC..EExtended strand (participates in β ladder)trans-92.7147.3179.7-63.1-92.2000111.5L93 D116 V392 M393L93-Y372 HydrophobicContact CD1-CD1 3.88Å; L93-Y372 HydrophobicContact CD1-CE1 3.86Å; L93-Y372 HydrophobicContact CD2-CE1 4.08Å; D116-Y372 PolarHBondContact N-O 3.01Å; Y372-V392 CarbonylContact C-O 3.57Å; Y372-V392 WeakPolarHBondContact CA-O 3.38Å; Y372-M393 HydrophobicContact CD1-CB 3.78Å; Y372-M393 HydrophobicContact CD1-CG 4.23Å; Y372-M393 HydrophobicContact CE1-CB 3.75Å; Y372-M393 HydrophobicContact CE1-CG 3.95Å; Y372-M393 HydrophobicContact CE1-SD 3.9Å; Y372-M393 HydrophobicContact CE2-SD 4.47Å; Y372-M393 HydrophobicContact CG-CB 4.48Å
373R96.8Very high96.1Very high12 Ų1236 Ų365%0.04520%0.195CC..EExtended strand (participates in β ladder)trans-140.6155.7176.6-66.5-60-179.3-91.26.9109.9V105 E109 V113 T114 S391 V392 Y394V105-R373 HydrophobicContact CG1-CG 4.22Å; E109-R373 WeakPolarHBondContact OE2-CD 2.96Å; E109-R373 IonicContact OE2-CZ 3.98Å; E109-R373 IonicContact OE2-NE 3.88Å; E109-R373 PolarHBondContact OE2-NE 3.18Å; E109-R373 IonicContact OE2-NH2 3.1Å; V113-R373 HydrophobicContact CB-CB 3.96Å; V113-R373 HydrophobicContact CB-CG 4.33Å; V113-R373 HydrophobicContact CG1-CB 4.41Å; V113-R373 HydrophobicContact CG2-CB 4.28Å; V113-R373 HydrophobicContact CG2-CG 4.08Å; T114-R373 CarbonylContact O-C 3.59Å; T114-R373 WeakPolarHBondContact O-CA 3.49Å; T114-R373 VanDerWaalsContact O-CD 3.26Å; T114-R373 WeakPolarHBondContact O-CD 3.5Å; R373-S391 CarbonylContact O-C 3.4Å; R373-S391 VanDerWaalsContact O-CA 3.31Å; R373-S391 WeakPolarHBondContact O-CA 3.49Å; R373-V392 HydrophobicContact CB-CB 4.33Å; R373-V392 PolarHBondContact N-O 3.11Å; R373-V392 PolarHBondContact O-N 2.91Å; R373-Y394 HydrophobicContact CG-CD1 4.37Å; R373-Y394 HydrophobicContact CG-CE1 4.26Å
374T97.1Very high96.1Very high39 Ų3937 Ų3724%0.23920%0.201CC..EExtended strand (participates in β ladder)trans-108130.5168.4-63.30000109.3V113 T114 M376V113-T374 CarbonylContact C-O 3.55Å; V113-T374 VanDerWaalsContact CA-O 3.26Å; V113-T374 WeakPolarHBondContact CA-O 3.12Å; T114-T374 PolarHBondContact N-O 3.12Å; T114-T374 PolarHBondContact O-N 3.42Å; T374-M376 PolarHBondContact O-N 2.73Å
375A97.9Very high96.2Very high1 Ų136 Ų361%0.00820%0.196CC..EExtended strand (participates in β ladder)trans-66.2117.6173.900000110.6F379 I386 P387 G389 W390 V392A375-F379 HydrophobicContact CB-CE1 3.94Å; A375-I386 HydrophobicContact CB-CG2 4.15Å; A375-P387 WeakPolarHBondContact CB-O 3.25Å; A375-G389 PolarHBondContact O-N 3.41Å; A375-W390 PolarHBondContact N-O 2.77Å; A375-V392 HydrophobicContact CB-CG2 4.49Å
376M97.6Very high96.3Very high82 Ų8234.3 Ų34.340%0.40419%0.189SC..SBendtrans-80.5-25.5-179.8-64.9-179.473.900112.4L112 T114 T374 K388L112-M376 PolarHBondContact O-N 3.2Å; T114-M376 HydrophobicContact CG2-CG 4.01Å; T114-M376 HydrophobicContact CG2-SD 4.33Å; T374-M376 PolarHBondContact O-N 2.73Å; M376-K388 WeakPolarHBondContact O-CD 3.29Å; M376-K388 VanDerWaalsContact O-CE 3.26Å; M376-K388 WeakPolarHBondContact O-CE 3.33Å; M376-K388 WeakPolarHBondContact O-CG 3.38Å
377Q97.3Very high96.3Very high99 Ų9934.4 Ų34.446%0.46319%0.19SC..SBendtrans-147.5166.8175.760.8-176.512.400109.7L112 F379L112-Q377 HydrophobicContact CD2-CG 4.34Å; Q377-F379 WeakPolarHBondContact O-CD1 3.25Å
378T98.1Very high96.3Very high36 Ų3641 Ų4122%0.22122%0.218CC..  trans-71.8129.8173.5-56.60000110D42 C45 Q385 I386 K388D42-T378 HydrophobicContact CB-CG2 3.81Å; D42-T378 WeakPolarHBondContact CB-OG1 3.34Å; D42-T378 WeakPolarHBondContact OD2-CB 3.2Å; D42-T378 PolarHBondContact OD2-OG1 3.33Å; C45-T378 HydrophobicContact CB-CG2 4.11Å; T378-Q385 HydrophobicContact CG2-CB 4.08Å; T378-I386 VanDerWaalsContact CA-O 3.23Å; T378-I386 WeakPolarHBondContact CA-O 3.34Å; T378-K388 PolarHBondContact OG1-N 2.92Å
379F98.3Very high96.4Very high15 Ų1540.7 Ų40.77%0.06623%0.226CC..EExtended strand (participates in β ladder)trans-142.3166176.367.7-82.6000111.6V105 L112 V113 A375 Q377 L381 I386V105-F379 HydrophobicContact CG2-CE2 4.44Å; L112-F379 HydrophobicContact CB-CD1 4.25Å; L112-F379 HydrophobicContact CB-CE1 4.46Å; L112-F379 HydrophobicContact CB-CG 4.42Å; L112-F379 HydrophobicContact CD1-CD2 4.19Å; L112-F379 HydrophobicContact CD1-CG 4.32Å; L112-F379 HydrophobicContact CD2-CB 4.21Å; V113-F379 HydrophobicContact CG1-CE1 3.79Å; V113-F379 HydrophobicContact CG1-CZ 3.8Å; A375-F379 HydrophobicContact CB-CE1 3.94Å; Q377-F379 WeakPolarHBondContact O-CD1 3.25Å; F379-L381 HydrophobicContact CD2-CD2 4.41Å; F379-L381 HydrophobicContact CD2-CG 4.11Å; F379-L381 HydrophobicContact CE2-CD1 3.77Å; F379-L381 HydrophobicContact CE2-CD2 3.96Å; F379-L381 HydrophobicContact CE2-CG 3.62Å; F379-L381 HydrophobicContact CZ-CD1 4.34Å; F379-I386 HydrophobicContact CD1-CB 4.07Å; F379-I386 HydrophobicContact CD1-CG2 4.37Å; F379-I386 HydrophobicContact CD2-CB 4.48Å; F379-I386 HydrophobicContact CD2-CG1 4.3Å; F379-I386 HydrophobicContact CE1-CB 3.82Å; F379-I386 HydrophobicContact CE1-CG1 4.4Å; F379-I386 HydrophobicContact CE1-CG2 3.68Å; F379-I386 HydrophobicContact CE2-CB 4.27Å; F379-I386 HydrophobicContact CE2-CG1 3.97Å; F379-I386 HydrophobicContact CG-CB 4.39Å; F379-I386 HydrophobicContact CZ-CB 3.92Å; F379-I386 HydrophobicContact CZ-CG1 4.02Å; F379-I386 HydrophobicContact CZ-CG2 3.83Å; F379-I386 PolarHBondContact N-O 3.22Å; F379-I386 WeakPolarHBondContact O-CB 3.4Å; F379-I386 PolarHBondContact O-N 2.97Å
380E97.8Very high96.6Very high91 Ų9140.5 Ų40.543%0.42522%0.223SC..EExtended strand (participates in β ladder)trans-94.3138.8-178.7176.5179.7167.500112.5L47 K104 G383 V384L47-E380 HydrophobicContact CD1-CB 3.65Å; L47-E380 HydrophobicContact CD1-CG 3.47Å; L47-E380 VanDerWaalsContact CD1-CG 3.47Å; K104-E380 VanDerWaalsContact CE-O 3.24Å; K104-E380 WeakPolarHBondContact CE-O 3.35Å; K104-E380 PolarHBondContact NZ-O 3.28Å; E380-G383 WeakPolarHBondContact OE1-CA 3.15Å; E380-G383 PolarHBondContact OE1-N 2.75Å; E380-V384 WeakPolarHBondContact CA-O 3.41Å
381L97.8Very high96.7Very high3 Ų340.3 Ų40.32%0.01622%0.22CC..EExtended strand (participates in β ladder)trans-134.9135.9160.2-66175.3000108.3V83 V96 N101 K104 V105 F379 G383 V384 I386V83-L381 HydrophobicContact CG1-CB 4.17Å; V83-L381 HydrophobicContact CG2-CB 3.91Å; V96-L381 HydrophobicContact CB-CD1 4.47Å; V96-L381 HydrophobicContact CG1-CD1 3.94Å; V96-L381 HydrophobicContact CG2-CD1 3.62Å; N101-L381 HydrophobicContact CB-CD2 4.14Å; K104-L381 HydrophobicContact CB-CD2 4.03Å; K104-L381 HydrophobicContact CD-CD2 3.88Å; K104-L381 HydrophobicContact CG-CD2 4.19Å; V105-L381 HydrophobicContact CG2-CD1 3.94Å; V105-L381 HydrophobicContact CG2-CD2 4.43Å; F379-L381 HydrophobicContact CD2-CD2 4.41Å; F379-L381 HydrophobicContact CD2-CG 4.11Å; F379-L381 HydrophobicContact CE2-CD1 3.77Å; F379-L381 HydrophobicContact CE2-CD2 3.96Å; F379-L381 HydrophobicContact CE2-CG 3.62Å; F379-L381 HydrophobicContact CZ-CD1 4.34Å; L381-G383 PolarHBondContact O-N 3.28Å; L381-G383 VanDerWaalsContact O-N 3.09Å; L381-V384 PolarHBondContact N-O 3.4Å; L381-V384 WeakPolarHBondContact O-CG2 3.37Å; L381-V384 PolarHBondContact O-N 3.35Å; L381-I386 HydrophobicContact CB-CD1 4.3Å; L381-I386 HydrophobicContact CB-CG1 4.21Å; L381-I386 HydrophobicContact CD1-CD1 4.01Å; L381-I386 HydrophobicContact CD1-CG1 3.8Å; L381-I386 HydrophobicContact CG-CD1 4.37Å; L381-I386 HydrophobicContact CG-CG1 3.9Å
382D95.5Very high96.9Very high89 Ų8939.1 Ų39.148%0.47621%0.21SC..THydrogen-bonded Turntrans40.846.2-179.8-73.5-7.6000115.1V83 N101 V384V83-D382 HydrophobicContact CB-CB 4.48Å; V83-D382 HydrophobicContact CG2-CB 3.98Å; N101-D382 PolarHBondContact ND2-OD1 2.99Å; N101-D382 VanDerWaalsContact ND2-OD1 3.1Å; N101-D382 PolarHBondContact ND2-OD2 3.01Å; N101-D382 PolarHBondContact OD1-N 2.89Å; N101-D382 PolarHBondContact OD1-OD1 3.48Å; N101-D382 VanDerWaalsContact OD1-OD1 3.07Å; D382-V384 PolarHBondContact O-N 3.43Å
383G96.6Very high97Very high31 Ų3135.8 Ų35.832%0.3220%0.198SC..THydrogen-bonded Turntrans68.812.7178.500000115.3E380 L381E380-G383 WeakPolarHBondContact OE1-CA 3.15Å; E380-G383 PolarHBondContact OE1-N 2.75Å; L381-G383 PolarHBondContact O-N 3.28Å; L381-G383 VanDerWaalsContact O-N 3.09Å
384V97.6Very high97Very high20 Ų2036 Ų3612%0.12120%0.199CC..EExtended strand (participates in β ladder)trans-119.3151.2174.7-59.60000111.3P48 P50 V83 E380 L381 D382P48-V384 HydrophobicContact CG-CG1 4.31Å; P48-V384 WeakPolarHBondContact O-CA 3.43Å; P48-V384 WeakPolarHBondContact O-CB 3.38Å; P50-V384 HydrophobicContact CB-CG2 4.02Å; P50-V384 HydrophobicContact CG-CB 4.21Å; P50-V384 HydrophobicContact CG-CG2 3.78Å; V83-V384 HydrophobicContact CB-CG2 4.26Å; V83-V384 HydrophobicContact CG1-CG2 3.71Å; E380-V384 WeakPolarHBondContact CA-O 3.41Å; L381-V384 PolarHBondContact N-O 3.4Å; L381-V384 WeakPolarHBondContact O-CG2 3.37Å; L381-V384 PolarHBondContact O-N 3.35Å; D382-V384 PolarHBondContact O-N 3.43Å
385Q97.2Very high96.9Very high0 Ų034.2 Ų34.20%019%0.188CC..EExtended strand (participates in β ladder)trans-80.8140.3175.460.8171.3-84.700111.6R41 D42 C45 L47 P48 M49 P50 T378R41-Q385 VanDerWaalsContact CG-NE2 3.29Å; D42-Q385 VanDerWaalsContact CB-OE1 3.3Å; D42-Q385 PolarHBondContact O-NE2 2.56Å; C45-Q385 HydrophobicContact CB-CB 4.32Å; C45-Q385 PolarHBondContact O-NE2 3.2Å; L47-Q385 HydrophobicContact CB-CB 4.18Å; L47-Q385 PolarHBondContact O-NE2 3.19Å; P48-Q385 WeakPolarHBondContact O-CG 3.37Å; P48-Q385 PolarHBondContact O-N 3.26Å; M49-Q385 HydrophobicContact SD-CG 4.03Å; P50-Q385 WeakPolarHBondContact CD-O 3.45Å; P50-Q385 WeakPolarHBondContact CG-O 3.44Å; T378-Q385 HydrophobicContact CG2-CB 4.08Å
386I97.9Very high96.8Very high0 Ų034.4 Ų34.40%019%0.189CC..EExtended strand (participates in β ladder)trans-106.7100.6167.8-50-56.9000106.4P50 V83 I94 A375 T378 F379 L381 V392P50-I386 HydrophobicContact CG-CD1 4.07Å; V83-I386 HydrophobicContact CG1-CD1 3.92Å; I94-I386 HydrophobicContact CG1-CD1 4.32Å; I94-I386 HydrophobicContact CG1-CG2 4.41Å; I94-I386 HydrophobicContact CG2-CD1 3.86Å; A375-I386 HydrophobicContact CB-CG2 4.15Å; T378-I386 VanDerWaalsContact CA-O 3.23Å; T378-I386 WeakPolarHBondContact CA-O 3.34Å; F379-I386 HydrophobicContact CD1-CB 4.07Å; F379-I386 HydrophobicContact CD1-CG2 4.37Å; F379-I386 HydrophobicContact CD2-CB 4.48Å; F379-I386 HydrophobicContact CD2-CG1 4.3Å; F379-I386 HydrophobicContact CE1-CB 3.82Å; F379-I386 HydrophobicContact CE1-CG1 4.4Å; F379-I386 HydrophobicContact CE1-CG2 3.68Å; F379-I386 HydrophobicContact CE2-CB 4.27Å; F379-I386 HydrophobicContact CE2-CG1 3.97Å; F379-I386 HydrophobicContact CG-CB 4.39Å; F379-I386 HydrophobicContact CZ-CB 3.92Å; F379-I386 HydrophobicContact CZ-CG1 4.02Å; F379-I386 HydrophobicContact CZ-CG2 3.83Å; F379-I386 PolarHBondContact N-O 3.22Å; F379-I386 WeakPolarHBondContact O-CB 3.4Å; F379-I386 PolarHBondContact O-N 2.97Å; L381-I386 HydrophobicContact CB-CD1 4.3Å; L381-I386 HydrophobicContact CB-CG1 4.21Å; L381-I386 HydrophobicContact CD1-CD1 4.01Å; L381-I386 HydrophobicContact CD1-CG1 3.8Å; L381-I386 HydrophobicContact CG-CD1 4.37Å; L381-I386 HydrophobicContact CG-CG1 3.9Å; I386-V392 HydrophobicContact CG2-CG2 3.7Å
387P96.4Very high96.6Very high2 Ų233.2 Ų33.21%0.01318%0.179CC..  trans-67.7147.8-173.5-17.930.4000112.1T40 M49 A375 G389 W390T40-P387 WeakPolarHBondContact O-CB 3.47Å; M49-P387 HydrophobicContact CE-CG 3.75Å; M49-P387 HydrophobicContact SD-CG 3.41Å; M49-P387 WeakPolarHBondContact SD-CG 3.26Å; A375-P387 WeakPolarHBondContact CB-O 3.25Å; P387-G389 PolarHBondContact O-N 3.04Å; P387-W390 HydrophobicContact CB-CG 4.46Å; P387-W390 WeakPolarHBondContact O-CB 3.45Å; P387-W390 PolarHBondContact O-N 3.01Å
388K96.7Very high96.4Very high151 Ų15128.9 Ų28.966%0.65716%0.16SC*.THydrogen-bonded Turntrans-49.4137.7171.1179.5174.4179.1178.30111.6M376 T378 W390M376-K388 WeakPolarHBondContact O-CD 3.29Å; M376-K388 VanDerWaalsContact O-CE 3.26Å; M376-K388 WeakPolarHBondContact O-CE 3.33Å; M376-K388 WeakPolarHBondContact O-CG 3.38Å; T378-K388 PolarHBondContact OG1-N 2.92Å; K388-W390 VanDerWaalsContact C-N 3.3Å; K388-W390 PolarHBondContact O-N 3.39Å
389G95.1Very high96.3Very high50 Ų5027.2 Ų27.252%0.51515%0.15SC..THydrogen-bonded Turntrans84.5-9.417700000115.1A375 P387A375-G389 PolarHBondContact O-N 3.41Å; P387-G389 PolarHBondContact O-N 3.04Å
390W95.5Very high96.1Very high7 Ų726.5 Ų26.53%0.02715%0.146CC..  trans-71.8143.9173.9-80.860.9000111.5W37 T40 M49 M54 K85 P92 I94 A375 P387 K388W37-W390 HydrophobicContact CE3-CZ2 4.11Å; T40-W390 VanDerWaalsContact OG1-CZ2 3.24Å; T40-W390 WeakPolarHBondContact OG1-CZ2 3.27Å; T40-W390 PolarHBondContact OG1-NE1 3.28Å; T40-W390 VanDerWaalsContact OG1-NE1 3.13Å; M49-W390 HydrophobicContact CE-CH2 3.91Å; M49-W390 HydrophobicContact CE-CZ2 3.52Å; M54-W390 HydrophobicContact CE-CH2 3.85Å; M54-W390 HydrophobicContact CE-CZ3 4.18Å; M54-W390 HydrophobicContact SD-CH2 4.02Å; M54-W390 HydrophobicContact SD-CZ3 4.35Å; K85-W390 HydrophobicContact CB-CH2 4.37Å; K85-W390 HydrophobicContact CB-CZ3 3.92Å; K85-W390 HydrophobicContact CD-CH2 4.26Å; P92-W390 HydrophobicContact CB-CD2 4.2Å; P92-W390 HydrophobicContact CB-CE3 3.83Å; P92-W390 HydrophobicContact CB-CH2 4.07Å; P92-W390 HydrophobicContact CB-CZ2 4.41Å; P92-W390 HydrophobicContact CB-CZ3 3.76Å; I94-W390 HydrophobicContact CD1-CD2 4.36Å; I94-W390 HydrophobicContact CD1-CE3 3.38Å; I94-W390 HydrophobicContact CD1-CZ3 3.52Å; I94-W390 HydrophobicContact CG1-CE3 3.74Å; I94-W390 HydrophobicContact CG1-CZ3 4.37Å; A375-W390 PolarHBondContact N-O 2.77Å; P387-W390 HydrophobicContact CB-CG 4.46Å; P387-W390 WeakPolarHBondContact O-CB 3.45Å; P387-W390 PolarHBondContact O-N 3.01Å; K388-W390 VanDerWaalsContact C-N 3.3Å; K388-W390 PolarHBondContact O-N 3.39Å
391S96.3Very high95.8Very high10 Ų1024 Ų247%0.0714%0.136CC..EExtended strand (participates in β ladder)trans-75.2140.1168.9-166.80000109.5P92 L93 I94 D116 R373P92-S391 WeakPolarHBondContact O-CB 3.27Å; L93-S391 CarbonylContact C-O 3.46Å; L93-S391 WeakPolarHBondContact CA-O 3.36Å; I94-S391 PolarHBondContact N-O 3.49Å; D116-S391 PolarHBondContact OD2-OG 2.87Å; R373-S391 CarbonylContact O-C 3.4Å; R373-S391 VanDerWaalsContact O-CA 3.31Å; R373-S391 WeakPolarHBondContact O-CA 3.49Å
392V97.7Very high95.4Very high0 Ų026.5 Ų26.50%015%0.151CC..EExtended strand (participates in β ladder)trans-127117.8-178.8-179.10000107.5I94 V96 V105 Y372 R373 A375 I386I94-V392 HydrophobicContact CB-CG2 4.49Å; I94-V392 CarbonylContact O-C 3.51Å; I94-V392 WeakPolarHBondContact O-CA 3.23Å; V96-V392 HydrophobicContact CB-CG1 4.43Å; V96-V392 HydrophobicContact CG2-CG1 3.57Å; V105-V392 HydrophobicContact CG1-CG1 4.38Å; V105-V392 HydrophobicContact CG2-CG1 4.19Å; Y372-V392 CarbonylContact C-O 3.57Å; Y372-V392 WeakPolarHBondContact CA-O 3.38Å; R373-V392 HydrophobicContact CB-CB 4.33Å; R373-V392 PolarHBondContact N-O 3.11Å; R373-V392 PolarHBondContact O-N 2.91Å; A375-V392 HydrophobicContact CB-CG2 4.49Å; I386-V392 HydrophobicContact CG2-CG2 3.7Å
393M96Very high95.2Very high14 Ų1422.7 Ų22.77%0.06913%0.132CC..EExtended strand (participates in β ladder)trans-109.4101.8172.5179-164.4-172.900109.5L93 I94 R95 V96 A371 Y372L93-M393 HydrophobicContact CD1-CB 3.72Å; L93-M393 HydrophobicContact CD2-CB 4.18Å; L93-M393 HydrophobicContact CD2-SD 4.4Å; L93-M393 HydrophobicContact CG-CB 4.3Å; I94-M393 PolarHBondContact O-N 2.76Å; R95-M393 WeakPolarHBondContact CD-SD 3.26Å; R95-M393 PolarHBondContact NH1-O 3.24Å; V96-M393 PolarHBondContact N-O 2.74Å; A371-M393 WeakPolarHBondContact O-CA 3.39Å; Y372-M393 HydrophobicContact CD1-CB 3.78Å; Y372-M393 HydrophobicContact CD1-CG 4.23Å; Y372-M393 HydrophobicContact CE1-CB 3.75Å; Y372-M393 HydrophobicContact CE1-CG 3.95Å; Y372-M393 HydrophobicContact CE1-SD 3.9Å; Y372-M393 HydrophobicContact CE2-SD 4.47Å; Y372-M393 HydrophobicContact CG-CB 4.48Å
394Y96.8Very high94.9Very high16 Ų1626 Ų266%0.06316%0.156CC..EExtended strand (participates in β ladder)trans-73.7142.3168.269.3-92.2000109.8V96 V102 V105 L106 G370 A371 R373 I396V96-Y394 CarbonylContact O-C 3.54Å; V96-Y394 VanDerWaalsContact O-CA 3.3Å; V96-Y394 WeakPolarHBondContact O-CA 3.35Å; V102-Y394 HydrophobicContact CG1-CD2 3.9Å; V102-Y394 HydrophobicContact CG1-CG 4.31Å; V105-Y394 HydrophobicContact CG1-CD1 3.99Å; L106-Y394 HydrophobicContact CD1-CE2 4.49Å; L106-Y394 HydrophobicContact CD2-CD1 4.35Å; L106-Y394 HydrophobicContact CD2-CD2 4.38Å; L106-Y394 HydrophobicContact CD2-CE1 3.77Å; L106-Y394 HydrophobicContact CD2-CE2 3.82Å; L106-Y394 VanDerWaalsContact CD2-CZ 3.47Å; L106-Y394 HydrophobicContact CG-CE2 4.44Å; G370-Y394 WeakPolarHBondContact CA-O 3.21Å; A371-Y394 HydrophobicContact CB-CE1 3.78Å; A371-Y394 WeakPolarHBondContact CB-OH 3.39Å; A371-Y394 PolarHBondContact N-O 2.68Å; A371-Y394 VanDerWaalsContact O-CD1 3.29Å; A371-Y394 WeakPolarHBondContact O-CD1 3.46Å; A371-Y394 WeakPolarHBondContact O-CE1 3.25Å; A371-Y394 PolarHBondContact O-N 2.63Å; R373-Y394 HydrophobicContact CG-CD1 4.37Å; R373-Y394 HydrophobicContact CG-CE1 4.26Å; Y394-I396 HydrophobicContact CD2-CG1 4.21Å; Y394-I396 HydrophobicContact CE2-CD1 4.11Å; Y394-I396 HydrophobicContact CE2-CG1 3.89Å
395S95.4Very high94.6Very high1 Ų126 Ų261%0.00716%0.157CC..EExtended strand (participates in β ladder)trans-107.5126.9172.8-157.60000111.3V96 S369 D398 T399V96-S395 PolarHBondContact O-N 2.77Å; S369-S395 CarbonylContact O-C 3.59Å; S369-S395 WeakPolarHBondContact O-CA 3.16Å; S369-S395 PolarHBondContact O-OG 3.21Å; S395-D398 WeakPolarHBondContact CB-OD2 3.5Å; S395-D398 WeakPolarHBondContact OG-CB 3.31Å; S395-D398 PolarHBondContact OG-N 3.34Å; S395-D398 VanDerWaalsContact OG-N 3.1Å; S395-D398 PolarHBondContact OG-OD2 2.92Å; S395-T399 WeakPolarHBondContact O-CB 3.5Å; S395-T399 PolarHBondContact O-OG1 3.36Å
396I95.9Very high94.4Very high6 Ų626.4 Ų26.43%0.03116%0.158CC..SBendtrans-77-51.9167.3-62.9172.9000108.9T366 S369 Y394 D398 T399 H400 L432T366-I396 HydrophobicContact CG2-CB 4.25Å; T366-I396 HydrophobicContact CG2-CG2 3.63Å; S369-I396 PolarHBondContact O-N 3.49Å; Y394-I396 HydrophobicContact CD2-CG1 4.21Å; Y394-I396 HydrophobicContact CE2-CD1 4.11Å; Y394-I396 HydrophobicContact CE2-CG1 3.89Å; I396-D398 PolarHBondContact O-N 3.12Å; I396-T399 WeakPolarHBondContact O-CA 3.27Å; I396-T399 WeakPolarHBondContact O-CB 3.22Å; I396-T399 PolarHBondContact O-N 3.13Å; I396-H400 PolarHBondContact O-N 3.01Å; I396-L432 HydrophobicContact CG1-CG 4.34Å; I396-L432 HydrophobicContact CG2-CD2 3.95Å; I396-L432 HydrophobicContact CG2-CG 4.05Å; I396-L432 WeakPolarHBondContact CG2-O 3.49Å
397R93.1Very high93.9Very high56 Ų5633.5 Ų33.521%0.21119%0.189CC..Hα-helixtrans-56.4-53.4-178.7-178.6174.3-178.9-92.3-4.5112.3S369 T399 H400 D401S369-R397 PolarHBondContact O-N 2.89Å; R397-T399 PolarHBondContact O-N 3.01Å; R397-T399 VanDerWaalsContact O-N 3.15Å; R397-H400 WeakPolarHBondContact O-CB 3.34Å; R397-H400 PolarHBondContact O-N 3.03Å; R397-H400 VanDerWaalsContact O-N 3.08Å; R397-D401 IonicContact CZ-OD2 3.85Å; R397-D401 IonicContact NH1-OD2 3.73Å; R397-D401 VanDerWaalsContact O-CG 3.24Å; R397-D401 PolarHBondContact O-N 3.06Å
398D93.3Very high93.7Very high9 Ų939.9 Ų39.95%0.04822%0.223CC..Hα-helixtrans-63.2-27180-60-29.5000112.2R77 R95 T97 S395 I396 T402R77-D398 IonicContact NH2-OD1 3.25Å; R77-D398 PolarHBondContact NH2-OD1 2.95Å; R77-D398 IonicContact NH2-OD2 2.74Å; R77-D398 PolarHBondContact NH2-OD2 3.44Å; R95-D398 IonicContact CZ-OD2 3.72Å; R95-D398 IonicContact NH2-OD2 3.63Å; R95-D398 PolarHBondContact NH2-OD2 2.94Å; T97-D398 HydrophobicContact CG2-CB 3.55Å; S395-D398 WeakPolarHBondContact CB-OD2 3.5Å; S395-D398 WeakPolarHBondContact OG-CB 3.31Å; S395-D398 PolarHBondContact OG-N 3.34Å; S395-D398 VanDerWaalsContact OG-N 3.1Å; S395-D398 PolarHBondContact OG-OD2 2.92Å; I396-D398 PolarHBondContact O-N 3.12Å; D398-T402 WeakPolarHBondContact O-CG2 3.33Å; D398-T402 PolarHBondContact O-N 2.77Å; D398-T402 VanDerWaalsContact O-N 3.13Å; D398-T402 PolarHBondContact O-OG1 3.06Å
399T95.3Very high93.4Very high1 Ų134.5 Ų34.51%0.00620%0.203CC..Hα-helixtrans-74.5-38.2176.1-61.90000111.4G98 A99 V102 S395 I396 R397 D401 A403 L432G98-T399 PolarHBondContact N-OG1 2.81Å; A99-T399 HydrophobicContact CB-CG2 4.43Å; V102-T399 WeakPolarHBondContact CG2-OG1 3.32Å; S395-T399 WeakPolarHBondContact O-CB 3.5Å; S395-T399 PolarHBondContact O-OG1 3.36Å; I396-T399 WeakPolarHBondContact O-CA 3.27Å; I396-T399 WeakPolarHBondContact O-CB 3.22Å; I396-T399 PolarHBondContact O-N 3.13Å; R397-T399 PolarHBondContact O-N 3.01Å; R397-T399 VanDerWaalsContact O-N 3.15Å; T399-D401 VanDerWaalsContact C-N 3.33Å; T399-A403 VanDerWaalsContact O-CB 3.31Å; T399-A403 WeakPolarHBondContact O-CB 3.41Å; T399-A403 PolarHBondContact O-N 3.37Å; T399-A403 VanDerWaalsContact O-N 3.08Å; T399-L432 HydrophobicContact CG2-CD2 4.05Å
400H94.8Very high93.2Very high0 Ų040.7 Ų40.70%022%0.218CC..Hα-helixtrans-62.8-41.3169.2-66169.4000111.4R363 T366 I396 R397 T402 F406 H430 L432R363-H400 HydrophobicContact CG-CB 3.94Å; R363-H400 PolarHBondContact O-ND1 3.08Å; T366-H400 PolarHBondContact OG1-CE1 2.87Å; T366-H400 PolarHBondContact OG1-ND1 3.29Å; I396-H400 PolarHBondContact O-N 3.01Å; R397-H400 WeakPolarHBondContact O-CB 3.34Å; R397-H400 PolarHBondContact O-N 3.03Å; R397-H400 VanDerWaalsContact O-N 3.08Å; H400-T402 VanDerWaalsContact C-N 3.31Å; H400-T402 PolarHBondContact O-N 3.44Å; H400-F406 WeakPolarHBondContact O-CD2 3.49Å; H400-H430 PolarHBondContact CD2-O 2.93Å; H400-H430 VanDerWaalsContact CD2-O 3.26Å; H400-L432 WeakPolarHBondContact NE2-CD2 3.4Å; H400-L432 PolarHBondContact NE2-N 2.97Å
401D90.3Very high93.2Very high39 Ų3942.7 Ų42.721%0.20924%0.236CC..Hα-helixtrans-71.6-22.6-176.8-64.7-12.6000113.1R397 T399R397-D401 IonicContact CZ-OD2 3.85Å; R397-D401 IonicContact NH1-OD2 3.73Å; R397-D401 VanDerWaalsContact O-CG 3.24Å; R397-D401 PolarHBondContact O-N 3.06Å; T399-D401 VanDerWaalsContact C-N 3.33Å
402T89.5Confident93.3Very high55 Ų5543.2 Ų43.234%0.33724%0.237SC..Hα-helixtrans-1151-177.863.60000114.9D398 H400 A404D398-T402 WeakPolarHBondContact O-CG2 3.33Å; D398-T402 PolarHBondContact O-N 2.77Å; D398-T402 VanDerWaalsContact O-N 3.13Å; D398-T402 PolarHBondContact O-OG1 3.06Å; H400-T402 VanDerWaalsContact C-N 3.31Å; H400-T402 PolarHBondContact O-N 3.44Å; T402-A404 PolarHBondContact O-N 3.46Å
403A91.6Very high93.3Very high9 Ų945.2 Ų45.27%0.07425%0.248CC..  trans-65.1119.3177.100000109.7T399 V405 F406 H430T399-A403 VanDerWaalsContact O-CB 3.31Å; T399-A403 WeakPolarHBondContact O-CB 3.41Å; T399-A403 PolarHBondContact O-N 3.37Å; T399-A403 VanDerWaalsContact O-N 3.08Å; A403-V405 HydrophobicContact CB-CG2 4.03Å; A403-V405 PolarHBondContact O-N 3.36Å; A403-V405 VanDerWaalsContact O-N 3.12Å; A403-F406 HydrophobicContact CB-CD2 3.84Å; A403-F406 HydrophobicContact CB-CE2 4.35Å; A403-F406 HydrophobicContact CB-CG 4.48Å; A403-F406 PolarHBondContact O-N 3.26Å; A403-H430 HydrophobicContact CB-CB 4.12Å
404A90.4Very high93.4Very high100 Ų10044.8 Ų44.883%0.82625%0.247SC*.THydrogen-bonded Turntrans-61.8-22.1-177.100000114T402 F406T402-A404 PolarHBondContact O-N 3.46Å; A404-F406 PolarHBondContact O-N 2.88Å
405V91.2Very high93.4Very high21 Ų2146.3 Ų46.313%0.12726%0.256CS..THydrogen-bonded Turntrans-65.5-25.3174.2-60.70000111.8A403 E423 E426 H430A403-V405 HydrophobicContact CB-CG2 4.03Å; A403-V405 PolarHBondContact O-N 3.36Å; A403-V405 VanDerWaalsContact O-N 3.12Å; V405-E423 VanDerWaalsContact O-OE2 3.09Å; V405-E426 HydrophobicContact CB-CB 4.43Å; V405-E426 HydrophobicContact CG1-CB 3.78Å; V405-H430 HydrophobicContact CG2-CB 3.7Å
406F92.4Very high93.4Very high8 Ų846.3 Ų46.34%0.03526%0.255CS..SBendtrans-95.2105.3-179.5-62.6-32.3000111.1R363 H400 A403 A404 V409 R416 F417 E423 H430 Y431R363-F406 HydrophobicContact CG-CD2 4.47Å; R363-F406 HydrophobicContact CG-CE2 4.08Å; H400-F406 WeakPolarHBondContact O-CD2 3.49Å; A403-F406 HydrophobicContact CB-CD2 3.84Å; A403-F406 HydrophobicContact CB-CE2 4.35Å; A403-F406 HydrophobicContact CB-CG 4.48Å; A403-F406 PolarHBondContact O-N 3.26Å; A404-F406 PolarHBondContact O-N 2.88Å; F406-V409 HydrophobicContact CB-CG1 4Å; F406-V409 WeakPolarHBondContact O-CG1 3.48Å; F406-R416 VanDerWaalsContact CB-NH2 3.3Å; F406-F417 HydrophobicContact CE1-CE1 4.48Å; F406-F417 HydrophobicContact CZ-CE1 4.42Å; F406-F417 HydrophobicContact CZ-CZ 4.45Å; F406-E423 HydrophobicContact CD1-CB 3.96Å; F406-E423 HydrophobicContact CE1-CB 4.02Å; F406-H430 WeakPolarHBondContact CE2-O 3.4Å; F406-Y431 HydrophobicContact CZ-CD2 4.41Å
407K88.9Confident93.5Very high149 Ų14946.3 Ų46.365%0.64826%0.255SS*.SBendtrans-77.6149.9170.5-58.8179.3-174.7173.70112V409 R416K407-V409 VanDerWaalsContact C-N 3.32Å; K407-V409 PolarHBondContact O-N 3.15Å; K407-R416 PolarHBondContact O-NH2 2.91Å
408D91Very high93.6Very high136 Ų13644.2 Ų44.273%0.72725%0.249SC*.SBendtrans47.153.1178.4-56.9-42.6000112.6E410 A411D408-E410 PolarHBondContact O-N 2.84Å; D408-A411 HydrophobicContact CB-CB 4.21Å; D408-A411 WeakPolarHBondContact O-CB 3.42Å; D408-A411 PolarHBondContact O-N 2.89Å
409V91.5Very high93.7Very high38 Ų3850.1 Ų50.123%0.2328%0.276CS..THydrogen-bonded Turntrans-55-21.1-166.2-63.80000115.5R363 L364 F406 K407R363-V409 PolarHBondContact NH1-O 3.45Å; R363-V409 PolarHBondContact NH2-O 2.84Å; L364-V409 WeakPolarHBondContact CD2-O 3.39Å; F406-V409 HydrophobicContact CB-CG1 4Å; F406-V409 WeakPolarHBondContact O-CG1 3.48Å; K407-V409 VanDerWaalsContact C-N 3.32Å; K407-V409 PolarHBondContact O-N 3.15Å
410E91.5Very high93.6Very high180 Ų18057.6 Ų57.684%0.84131%0.311SS*.THydrogen-bonded Turntrans-88.9-18.1178.5-58.5-168.3157.500113.5D408D408-E410 PolarHBondContact O-N 2.84Å
411A95.1Very high93.6Very high49 Ų4961.8 Ų61.841%0.40533%0.327SS..SBendtrans-74.7137.5177.100000110.4R363 D408 D413R363-A411 PolarHBondContact NH2-O 3.2Å; D408-A411 HydrophobicContact CB-CB 4.21Å; D408-A411 WeakPolarHBondContact O-CB 3.42Å; D408-A411 PolarHBondContact O-N 2.89Å; A411-D413 PolarHBondContact O-N 3.16Å
412F97.5Very high93.7Very high20 Ų2061 Ų619%0.08832%0.324CS..  trans-82.4101.8170.5-174.5-91.4000109.3A311 H315 V318 V357 E360 V361 L364 P414A311-F412 HydrophobicContact CB-CD2 4.03Å; A311-F412 HydrophobicContact CB-CE1 4.41Å; A311-F412 HydrophobicContact CB-CE2 3.61Å; A311-F412 HydrophobicContact CB-CZ 3.83Å; H315-F412 HydrophobicContact CB-CD1 4.35Å; H315-F412 AromaticContact CD2-CD1 3.52Å; H315-F412 AromaticContact CD2-CG 3.7Å; H315-F412 AromaticContact CG-CD1 3.85Å; H315-F412 VanDerWaalsContact NE2-CB 3.3Å; H315-F412 WeakPolarHBondContact NE2-CB 3.27Å; H315-F412 AromaticContact NE2-CG 3.85Å; V318-F412 HydrophobicContact CG1-CE1 4.16Å; V318-F412 HydrophobicContact CG2-CD1 4.33Å; V318-F412 HydrophobicContact CG2-CE1 4.03Å; V357-F412 HydrophobicContact CG1-CZ 4.27Å; E360-F412 HydrophobicContact CB-CE2 4.08Å; E360-F412 HydrophobicContact CB-CZ 4.32Å; E360-F412 HydrophobicContact CG-CD2 3.7Å; E360-F412 HydrophobicContact CG-CE2 3.67Å; E360-F412 HydrophobicContact CG-CG 4.16Å; E360-F412 HydrophobicContact CG-CZ 4.15Å; V361-F412 HydrophobicContact CG2-CE2 3.7Å; V361-F412 HydrophobicContact CG2-CZ 3.95Å; L364-F412 HydrophobicContact CD1-CB 3.84Å; L364-F412 HydrophobicContact CD1-CD2 3.57Å; L364-F412 HydrophobicContact CD1-CG 4.16Å; F412-P414 HydrophobicContact CD1-CG 4.17Å; F412-P414 HydrophobicContact CE1-CG 3.54Å; F412-P414 HydrophobicContact CZ-CG 4.09Å
413D97.6Very high93.9Very high42 Ų4259 Ų5923%0.22531%0.311CS..  trans-132.395.7-176.2168.715.9000109.9E360 A411 D415 R416 R421E360-D413 PolarHBondContact OE1-N 2.94Å; A411-D413 PolarHBondContact O-N 3.16Å; D413-D415 PolarHBondContact O-N 2.73Å; D413-D415 PolarHBondContact OD1-N 2.7Å; D413-D415 VanDerWaalsContact OD1-N 3.09Å; D413-R416 HydrophobicContact CB-CG 3.88Å; D413-R416 VanDerWaalsContact O-CB 3.32Å; D413-R416 WeakPolarHBondContact O-CB 3.39Å; D413-R416 WeakPolarHBondContact O-CD 3.38Å; D413-R416 WeakPolarHBondContact O-CG 3.4Å; D413-R416 PolarHBondContact O-N 3.34Å; D413-R416 WeakPolarHBondContact OD2-CG 3.38Å; D413-R421 VanDerWaalsContact CG-NH1 3.33Å; D413-R421 IonicContact OD1-NH1 2.74Å; D413-R421 PolarHBondContact OD1-NH1 3.15Å; D413-R421 IonicContact OD2-CZ 3.04Å; D413-R421 IonicContact OD2-NH1 3.71Å; D413-R421 PolarHBondContact OD2-NH1 2.88Å; D413-R421 IonicContact OD2-NH2 3.64Å; D413-R421 PolarHBondContact OD2-NH2 3.21Å
414P98.2Very high93.9Very high6 Ų659.6 Ų59.64%0.03931%0.314CS..G310 helixtrans-59.5-32.9177.4-28.237.2000113.6V318 Y353 C356 V357 F412 R416 F417V318-P414 HydrophobicContact CG1-CG 4.17Å; V318-P414 HydrophobicContact CG2-CG 4.14Å; Y353-P414 HydrophobicContact CE2-CB 3.92Å; C356-P414 HydrophobicContact CB-CB 4.1Å; C356-P414 WeakPolarHBondContact CB-O 3.42Å; V357-P414 HydrophobicContact CG2-CB 3.93Å; V357-P414 HydrophobicContact CG2-CG 3.87Å; F412-P414 HydrophobicContact CD1-CG 4.17Å; F412-P414 HydrophobicContact CE1-CG 3.54Å; F412-P414 HydrophobicContact CZ-CG 4.09Å; P414-R416 PolarHBondContact O-N 3.16Å; P414-F417 PolarHBondContact O-N 3.38Å
415D97.1Very high93.8Very high47 Ų4761.3 Ų61.325%0.25130%0.302SS..G310 helixtrans-66.2-14.5-173.4-71.8-39.2000112.8R321 D413 F417 S418 R421R321-D415 IonicContact CZ-OD1 3.94Å; R321-D415 VanDerWaalsContact CZ-OD1 3.24Å; R321-D415 IonicContact CZ-OD2 2.69Å; R321-D415 IonicContact NH1-OD1 3.22Å; R321-D415 PolarHBondContact NH1-OD1 3.05Å; R321-D415 IonicContact NH1-OD2 3.03Å; R321-D415 PolarHBondContact NH1-OD2 3.45Å; R321-D415 IonicContact NH2-OD1 2.75Å; R321-D415 PolarHBondContact NH2-OD1 3.48Å; R321-D415 IonicContact NH2-OD2 3.04Å; D413-D415 PolarHBondContact O-N 2.73Å; D413-D415 PolarHBondContact OD1-N 2.7Å; D413-D415 VanDerWaalsContact OD1-N 3.09Å; D415-F417 PolarHBondContact O-N 3.24Å; D415-F417 VanDerWaalsContact O-N 3.11Å; D415-S418 WeakPolarHBondContact O-CB 3.42Å; D415-S418 PolarHBondContact O-N 3.27Å; D415-S418 PolarHBondContact O-OG 3.09Å; D415-R421 WeakPolarHBondContact O-CB 3.44Å; D415-R421 WeakPolarHBondContact O-CD 3.09Å
416R95.8Very high93.5Very high1 Ų166.6 Ų66.60%0.00433%0.325CS..G310 helixtrans-46.7-36.4166.1-64.3168.9113.8-53.2-31.3113.6E360 F406 K407 D413 P414 E423E360-R416 WeakPolarHBondContact OE1-CD 3.41Å; E360-R416 IonicContact OE1-NE 2.66Å; E360-R416 WeakPolarHBondContact OE2-CD 3.49Å; F406-R416 VanDerWaalsContact CB-NH2 3.3Å; K407-R416 PolarHBondContact O-NH2 2.91Å; D413-R416 HydrophobicContact CB-CG 3.88Å; D413-R416 VanDerWaalsContact O-CB 3.32Å; D413-R416 WeakPolarHBondContact O-CB 3.39Å; D413-R416 WeakPolarHBondContact O-CD 3.38Å; D413-R416 WeakPolarHBondContact O-CG 3.4Å; D413-R416 PolarHBondContact O-N 3.34Å; D413-R416 WeakPolarHBondContact OD2-CG 3.38Å; P414-R416 PolarHBondContact O-N 3.16Å; R416-E423 IonicContact CZ-OE2 2.89Å; R416-E423 IonicContact NH1-OE2 2.68Å; R416-E423 PolarHBondContact NH1-OE2 3.32Å; R416-E423 IonicContact NH2-OE2 3.36Å; R416-E423 PolarHBondContact NH2-OE2 3.04Å; R416-E423 PolarHBondContact O-N 3.35Å; R416-E423 VanDerWaalsContact O-N 3.12Å
417F96.9Very high93Very high7 Ų767.5 Ų67.53%0.03134%0.338CS..G310 helixtrans-98.95.9-177.7-61.5-80.4000113.3C356 K359 E360 R363 F406 P414 D415 D424 Y431C356-F417 HydrophobicContact CB-CB 4.23Å; C356-F417 VanDerWaalsContact SG-C 3.58Å; C356-F417 PolarHBondContact SG-O 3.42Å; K359-F417 HydrophobicContact CB-CB 4.35Å; K359-F417 HydrophobicContact CB-CD1 3.79Å; K359-F417 HydrophobicContact CB-CD2 3.69Å; K359-F417 HydrophobicContact CB-CE1 3.88Å; K359-F417 HydrophobicContact CB-CE2 3.8Å; K359-F417 HydrophobicContact CB-CG 3.67Å; K359-F417 HydrophobicContact CB-CZ 3.9Å; K359-F417 HydrophobicContact CD-CB 3.89Å; K359-F417 HydrophobicContact CD-CD1 3.48Å; K359-F417 VanDerWaalsContact CD-CD1 3.48Å; K359-F417 HydrophobicContact CD-CE1 4.1Å; K359-F417 HydrophobicContact CD-CG 3.74Å; K359-F417 HydrophobicContact CG-CD1 4.28Å; K359-F417 HydrophobicContact CG-CG 4.41Å; E360-F417 HydrophobicContact CB-CD2 4.12Å; E360-F417 HydrophobicContact CB-CE2 3.81Å; E360-F417 VanDerWaalsContact OE2-CE2 3.23Å; E360-F417 WeakPolarHBondContact OE2-CE2 3.43Å; R363-F417 HydrophobicContact CB-CZ 4.11Å; R363-F417 HydrophobicContact CG-CZ 4.48Å; F406-F417 HydrophobicContact CE1-CE1 4.48Å; F406-F417 HydrophobicContact CZ-CE1 4.42Å; F406-F417 HydrophobicContact CZ-CZ 4.45Å; P414-F417 PolarHBondContact O-N 3.38Å; D415-F417 PolarHBondContact O-N 3.24Å; D415-F417 VanDerWaalsContact O-N 3.11Å; F417-D424 HydrophobicContact CD1-CB 3.64Å; F417-D424 HydrophobicContact CE1-CB 3.63Å; F417-Y431 HydrophobicContact CE1-CD1 4.43Å; F417-Y431 AromaticContact CE1-CD2 3.79Å; F417-Y431 HydrophobicContact CE1-CD2 3.79Å; F417-Y431 AromaticContact CE1-CE2 3.93Å; F417-Y431 HydrophobicContact CE1-CE2 3.93Å; F417-Y431 HydrophobicContact CE1-CG 4.06Å; F417-Y431 AromaticContact CZ-CD2 3.91Å; F417-Y431 HydrophobicContact CZ-CD2 3.91Å; F417-Y431 AromaticContact CZ-CE2 3.84Å; F417-Y431 HydrophobicContact CZ-CE2 3.84Å
418S96.8Very high92.9Very high11 Ų1168.7 Ų68.78%0.07734%0.338CS..SBendtrans-63.6166.3178.589.70000111.2D415 E420 R421 S422D415-S418 WeakPolarHBondContact O-CB 3.42Å; D415-S418 PolarHBondContact O-N 3.27Å; D415-S418 PolarHBondContact O-OG 3.09Å; S418-E420 WeakPolarHBondContact CB-OE2 3.12Å; S418-E420 PolarHBondContact O-N 3.41Å; S418-E420 PolarHBondContact OG-N 2.91Å; S418-E420 PolarHBondContact OG-OE2 2.87Å; S418-R421 PolarHBondContact O-N 3.08Å; S418-R421 PolarHBondContact OG-N 3.39Å; S418-S422 WeakPolarHBondContact O-CA 3.34Å; S418-S422 PolarHBondContact O-N 2.81Å; S418-S422 PolarHBondContact O-OG 3.36Å
419Q93.6Very high93Very high133 Ų13364.4 Ų64.462%0.62131%0.313SS*.THydrogen-bonded Turntrans-62-36.1177.4-175.3169-8.800111.3S422Q419-S422 PolarHBondContact O-OG 2.96Å
420E94.3Very high93.1Very high159 Ų15964.6 Ų64.674%0.74331%0.311SS*.THydrogen-bonded Turntrans-70.7-41.9-177.9-5771.3-152.400112.4S418S418-E420 WeakPolarHBondContact CB-OE2 3.12Å; S418-E420 PolarHBondContact O-N 3.41Å; S418-E420 PolarHBondContact OG-N 2.91Å; S418-E420 PolarHBondContact OG-OE2 2.87Å
421R94.8Very high93.3Very high87 Ų8758.2 Ų58.233%0.32828%0.28SS..THydrogen-bonded Turntrans-90.9-43.8-178.5-74.5174.762.8-177.92.5113.1D413 D415 S418 E423D413-R421 VanDerWaalsContact CG-NH1 3.33Å; D413-R421 IonicContact OD1-NH1 2.74Å; D413-R421 PolarHBondContact OD1-NH1 3.15Å; D413-R421 IonicContact OD2-CZ 3.04Å; D413-R421 IonicContact OD2-NH1 3.71Å; D413-R421 PolarHBondContact OD2-NH1 2.88Å; D413-R421 IonicContact OD2-NH2 3.64Å; D413-R421 PolarHBondContact OD2-NH2 3.21Å; D415-R421 WeakPolarHBondContact O-CB 3.44Å; D415-R421 WeakPolarHBondContact O-CD 3.09Å; S418-R421 PolarHBondContact O-N 3.08Å; S418-R421 PolarHBondContact OG-N 3.39Å; R421-E423 HydrophobicContact CB-CG 4.36Å; R421-E423 IonicContact CZ-OE1 3.03Å; R421-E423 VanDerWaalsContact CZ-OE1 3.25Å; R421-E423 IonicContact NE-OE1 2.79Å; R421-E423 PolarHBondContact NE-OE1 2.92Å; R421-E423 IonicContact NH2-OE1 3.83Å; R421-E423 PolarHBondContact NH2-OE1 3.21Å; R421-E423 PolarHBondContact O-N 2.87Å
422S93.1Very high93.4Very high22 Ų2256.2 Ų56.215%0.15426%0.262CS..  trans41.438.2175.7-71.70000114.5S418 Q419 D424 K425S418-S422 WeakPolarHBondContact O-CA 3.34Å; S418-S422 PolarHBondContact O-N 2.81Å; S418-S422 PolarHBondContact O-OG 3.36Å; Q419-S422 PolarHBondContact O-OG 2.96Å; S422-D424 PolarHBondContact O-N 2.87Å; S422-D424 VanDerWaalsContact O-N 3.1Å; S422-K425 WeakPolarHBondContact O-CB 3.35Å; S422-K425 PolarHBondContact O-N 3.42Å; S422-K425 PolarHBondContact OG-NZ 2.91Å
423E93.6Very high93.3Very high13 Ų1355.9 Ų55.96%0.06126%0.262CS..G310 helixtrans-61.5-27.7-172.9-66.9178.6-160.200111.7V405 F406 R416 R421 K425 E426V405-E423 VanDerWaalsContact O-OE2 3.09Å; F406-E423 HydrophobicContact CD1-CB 3.96Å; F406-E423 HydrophobicContact CE1-CB 4.02Å; R416-E423 IonicContact CZ-OE2 2.89Å; R416-E423 IonicContact NH1-OE2 2.68Å; R416-E423 PolarHBondContact NH1-OE2 3.32Å; R416-E423 IonicContact NH2-OE2 3.36Å; R416-E423 PolarHBondContact NH2-OE2 3.04Å; R416-E423 PolarHBondContact O-N 3.35Å; R416-E423 VanDerWaalsContact O-N 3.12Å; R421-E423 HydrophobicContact CB-CG 4.36Å; R421-E423 IonicContact CZ-OE1 3.03Å; R421-E423 VanDerWaalsContact CZ-OE1 3.25Å; R421-E423 IonicContact NE-OE1 2.79Å; R421-E423 PolarHBondContact NE-OE1 2.92Å; R421-E423 IonicContact NH2-OE1 3.83Å; R421-E423 PolarHBondContact NH2-OE1 3.21Å; R421-E423 PolarHBondContact O-N 2.87Å; E423-K425 PolarHBondContact O-N 2.99Å; E423-E426 PolarHBondContact O-N 2.85Å
424D90.9Very high93.3Very high23 Ų2356.4 Ų56.412%0.12326%0.262CS..G310 helixtrans-67.8-16.1175.465.8-42.1000114.2K359 F417 S422 Y431K359-D424 IonicContact NZ-OD2 3.69Å; K359-D424 PolarHBondContact NZ-OD2 3Å; F417-D424 HydrophobicContact CD1-CB 3.64Å; F417-D424 HydrophobicContact CE1-CB 3.63Å; S422-D424 PolarHBondContact O-N 2.87Å; S422-D424 VanDerWaalsContact O-N 3.1Å; D424-Y431 HydrophobicContact CB-CG 4.34Å
425K88.3Confident93.2Very high135 Ų13556.9 Ų56.959%0.58727%0.269SS*.G310 helixtrans-100.4-9.4-177.4-56.2-178.3-164.8143.20113.7S422 E423 G427S422-K425 WeakPolarHBondContact O-CB 3.35Å; S422-K425 PolarHBondContact O-N 3.42Å; S422-K425 PolarHBondContact OG-NZ 2.91Å; E423-K425 PolarHBondContact O-N 2.99Å; K425-G427 PolarHBondContact O-N 3.35Å; K425-G427 VanDerWaalsContact O-N 3.12Å
426E84.8Confident93.1Very high132 Ų13255 Ų5562%0.61726%0.26SS*.SBendtrans-67.8-8.5-179.2-67.9-170.9-178.100113.7V405 E423V405-E426 HydrophobicContact CB-CB 4.43Å; V405-E426 HydrophobicContact CG1-CB 3.78Å; E423-E426 PolarHBondContact O-N 2.85Å
427G82.3Confident93.1Very high28 Ų2856 Ų5629%0.28927%0.271SS..SBendtrans-170.7177.317200000113.2K425 H430K425-G427 PolarHBondContact O-N 3.35Å; K425-G427 VanDerWaalsContact O-N 3.12Å; G427-H430 VanDerWaalsContact CA-CD2 3.49Å; G427-H430 WeakPolarHBondContact CA-CD2 3.5Å
428R87.2Confident93.1Very high173 Ų17359 Ų5965%0.65329%0.29SS*.SBendtrans-89.6141.7-179.8-59.4-172.1-65.5-173.2-4.3110.1H430R428-H430 PolarHBondContact O-N 3.29Å
429F92.6Very high93Very high46 Ų4660.2 Ų60.220%0.20229%0.293CS..SBendtrans63.915.4173.6-72.7-110.7000115.5A99 R103 L106 M107 L432A99-F429 HydrophobicContact CB-CB 4.14Å; A99-F429 WeakPolarHBondContact CB-O 3.3Å; R103-F429 HydrophobicContact CB-CB 4.16Å; R103-F429 HydrophobicContact CB-CD1 3.88Å; R103-F429 HydrophobicContact CB-CD2 3.89Å; R103-F429 HydrophobicContact CB-CE1 4.22Å; R103-F429 HydrophobicContact CB-CE2 4.25Å; R103-F429 HydrophobicContact CB-CG 3.72Å; R103-F429 HydrophobicContact CB-CZ 4.4Å; R103-F429 HydrophobicContact CG-CD1 4.26Å; R103-F429 HydrophobicContact CG-CD2 3.6Å; R103-F429 HydrophobicContact CG-CE1 4.24Å; R103-F429 HydrophobicContact CG-CE2 3.59Å; R103-F429 HydrophobicContact CG-CG 3.98Å; R103-F429 HydrophobicContact CG-CZ 3.92Å; L106-F429 HydrophobicContact CB-CE1 4.19Å; L106-F429 HydrophobicContact CD1-CD1 4.06Å; L106-F429 HydrophobicContact CD1-CE1 3.75Å; M107-F429 HydrophobicContact CG-CZ 4.28Å; M107-F429 HydrophobicContact SD-CZ 4.11Å; F429-L432 HydrophobicContact CB-CD1 4.14Å; F429-L432 HydrophobicContact CD1-CD1 3.62Å; F429-L432 HydrophobicContact CG-CD1 4.32Å; F429-L432 WeakPolarHBondContact O-CD2 3.48Å
430H92.5Very high93.2Very high42 Ų4255.4 Ų55.419%0.19427%0.274CS..SBendtrans-75.8-32167.3-63.8-61.3000112.3A99 H400 A403 V405 F406 G427 R428A99-H430 WeakPolarHBondContact CB-ND1 3.27Å; H400-H430 PolarHBondContact CD2-O 2.93Å; H400-H430 VanDerWaalsContact CD2-O 3.26Å; A403-H430 HydrophobicContact CB-CB 4.12Å; V405-H430 HydrophobicContact CG2-CB 3.7Å; F406-H430 WeakPolarHBondContact CE2-O 3.4Å; G427-H430 VanDerWaalsContact CA-CD2 3.49Å; G427-H430 WeakPolarHBondContact CA-CD2 3.5Å; R428-H430 PolarHBondContact O-N 3.29Å
431Y96.3Very high93.3Very high46 Ų4650.4 Ų50.418%0.1826%0.256CS..SBendtrans-117109.6171-176.1-112.1000109.5K359 R363 F406 F417 D424 P433K359-Y431 WeakPolarHBondContact CA-OH 3.4Å; K359-Y431 HydrophobicContact CB-CE1 4.49Å; K359-Y431 HydrophobicContact CB-CE2 4.46Å; K359-Y431 HydrophobicContact CD-CE1 4.34Å; K359-Y431 HydrophobicContact CG-CE1 4.07Å; K359-Y431 WeakPolarHBondContact O-CE2 3.46Å; K359-Y431 PolarHBondContact O-OH 3.21Å; R363-Y431 HydrophobicContact CB-CD2 4.35Å; R363-Y431 HydrophobicContact CB-CE2 4.02Å; R363-Y431 HydrophobicContact CG-CD2 4.49Å; F406-Y431 HydrophobicContact CZ-CD2 4.41Å; F417-Y431 HydrophobicContact CE1-CD1 4.43Å; F417-Y431 AromaticContact CE1-CD2 3.79Å; F417-Y431 HydrophobicContact CE1-CD2 3.79Å; F417-Y431 AromaticContact CE1-CE2 3.93Å; F417-Y431 HydrophobicContact CE1-CE2 3.93Å; F417-Y431 HydrophobicContact CE1-CG 4.06Å; F417-Y431 AromaticContact CZ-CD2 3.91Å; F417-Y431 HydrophobicContact CZ-CD2 3.91Å; F417-Y431 AromaticContact CZ-CE2 3.84Å; F417-Y431 HydrophobicContact CZ-CE2 3.84Å; D424-Y431 HydrophobicContact CB-CG 4.34Å; Y431-P433 HydrophobicContact CE1-CG 3.88Å; Y431-P433 HydrophobicContact CE2-CG 3.88Å; Y431-P433 WeakPolarHBondContact OH-CG 3.46Å
432L96.6Very high93.4Very high8 Ų848 Ų484%0.04225%0.249CC..  trans-145.346.9-174.873.6-177.3000113.7V102 L106 I396 T399 H400 F429 F434 G435V102-L432 HydrophobicContact CB-CD1 4.47Å; V102-L432 HydrophobicContact CG1-CD1 3.62Å; L106-L432 HydrophobicContact CD1-CD1 4.08Å; I396-L432 HydrophobicContact CG1-CG 4.34Å; I396-L432 HydrophobicContact CG2-CD2 3.95Å; I396-L432 HydrophobicContact CG2-CG 4.05Å; I396-L432 WeakPolarHBondContact CG2-O 3.49Å; T399-L432 HydrophobicContact CG2-CD2 4.05Å; H400-L432 WeakPolarHBondContact NE2-CD2 3.4Å; H400-L432 PolarHBondContact NE2-N 2.97Å; F429-L432 HydrophobicContact CB-CD1 4.14Å; F429-L432 HydrophobicContact CD1-CD1 3.62Å; F429-L432 HydrophobicContact CG-CD1 4.32Å; F429-L432 WeakPolarHBondContact O-CD2 3.48Å; L432-F434 PolarHBondContact O-N 3.41Å; L432-G435 PolarHBondContact O-N 3.31Å
433P96.6Very high93.6Very high13 Ų1347.7 Ų47.78%0.08425%0.249CC..THydrogen-bonded Turntrans-59.1-21.2-17728.2-38.4000113.7L362 Y431L362-P433 HydrophobicContact CB-CB 3.88Å; L362-P433 HydrophobicContact CB-CG 4.2Å; Y431-P433 HydrophobicContact CE1-CG 3.88Å; Y431-P433 HydrophobicContact CE2-CG 3.88Å; Y431-P433 WeakPolarHBondContact OH-CG 3.46Å
434F97.3Very high93.8Very high52 Ų5251.3 Ų51.323%0.22827%0.265CS..THydrogen-bonded Turntrans-103.514.5179.6-63.8-65.6000113.4L362 L432 C441 K444 A447L362-F434 HydrophobicContact CD1-CE2 3.79Å; L362-F434 HydrophobicContact CD1-CZ 3.61Å; L432-F434 PolarHBondContact O-N 3.41Å; F434-C441 HydrophobicContact CB-CB 3.81Å; F434-C441 HydrophobicContact CD1-CB 3.89Å; F434-C441 HydrophobicContact CG-CB 4.28Å; F434-C441 PolarHBondContact O-N 3.38Å; F434-K444 HydrophobicContact CB-CB 4.12Å; F434-K444 HydrophobicContact CD1-CB 3.7Å; F434-K444 HydrophobicContact CD2-CB 3.88Å; F434-K444 HydrophobicContact CE1-CB 4.03Å; F434-K444 HydrophobicContact CE2-CB 4.19Å; F434-K444 HydrophobicContact CG-CB 3.61Å; F434-K444 HydrophobicContact CZ-CB 4.26Å; F434-A447 HydrophobicContact CE1-CB 4.29Å
435G96.2Very high94Very high17 Ų1754.7 Ų54.718%0.17528%0.28CS..  trans66.8-150-174.300000112.5L432L432-G435 PolarHBondContact O-N 3.31Å
436G95.6Very high94.5Very high7 Ų749 Ų497%0.07226%0.256CS..  trans-168.2180-173.800000113.4S440G436-S440 PolarHBondContact O-N 3.04Å
437G95.5Very high95.1Very high23 Ų2343.7 Ų43.724%0.23723%0.234CC..G310 helixtrans63.2-155.6-176.600000113.1R439 S440G437-R439 PolarHBondContact O-N 2.84Å; G437-S440 WeakPolarHBondContact O-CB 3.06Å; G437-S440 PolarHBondContact O-N 3.34Å; G437-S440 VanDerWaalsContact O-N 3.14Å; G437-S440 PolarHBondContact O-OG 3.25Å
438V95.8Very high95.8Very high68 Ų6843 Ų4341%0.41223%0.225SC..G310 helixtrans-66.8-16.3-177.6-55.30000113.2E109 H138 R142E109-V438 HydrophobicContact CB-CG2 3.63Å; E109-V438 HydrophobicContact CG-CG2 3.56Å; H138-V438 PolarHBondContact CE1-O 3.45Å; H138-V438 VanDerWaalsContact CE1-O 3.3Å; R142-V438 WeakPolarHBondContact CD-O 3.41Å; R142-V438 PolarHBondContact NE-O 3.45Å; R142-V438 PolarHBondContact NH1-O 2.88Å
439R96Very high96.3Very high37 Ų3734.9 Ų34.914%0.1419%0.194CC..G310 helixtrans-1029.8177.9-65.7-77.6-167.4-177.32.4113.2E109 V115 L130 S133 H138 G437E109-R439 HydrophobicContact CG-CG 3.7Å; E109-R439 IonicContact OE1-CZ 2.88Å; E109-R439 IonicContact OE1-NE 3.61Å; E109-R439 PolarHBondContact OE1-NE 3.19Å; E109-R439 IonicContact OE1-NH2 3.54Å; E109-R439 PolarHBondContact OE1-NH2 3.02Å; V115-R439 VanDerWaalsContact CG1-NH2 3.34Å; L130-R439 PolarHBondContact O-NH1 3.39Å; L130-R439 VanDerWaalsContact O-NH1 3.08Å; S133-R439 PolarHBondContact O-NH1 2.81Å; S133-R439 PolarHBondContact O-NH2 3.25Å; H138-R439 PolarHBondContact CD2-NH1 3.01Å; H138-R439 PolarHBondContact NE2-NH1 3.45Å; G437-R439 PolarHBondContact O-N 2.84Å
440S96.6Very high96.6Very high33 Ų3332.9 Ų32.923%0.23119%0.186CC..SBendtrans-50.3143.1172.9490000110.9R142 G436 G437 L442R142-S440 VanDerWaalsContact CZ-O 3.28Å; R142-S440 PolarHBondContact NH1-O 2.85Å; R142-S440 PolarHBondContact NH2-O 3.09Å; R142-S440 PolarHBondContact NH2-OG 2.9Å; G436-S440 PolarHBondContact O-N 3.04Å; G437-S440 WeakPolarHBondContact O-CB 3.06Å; G437-S440 PolarHBondContact O-N 3.34Å; G437-S440 VanDerWaalsContact O-N 3.14Å; G437-S440 PolarHBondContact O-OG 3.25Å; S440-L442 PolarHBondContact O-N 3.12Å; S440-L442 VanDerWaalsContact O-N 3.14Å
441C97.8Very high96.8Very high53 Ų5331 Ų3136%0.35818%0.177SC..  trans-55.9123-177.9-177.10000110.4F434 K444F434-C441 HydrophobicContact CB-CB 3.81Å; F434-C441 HydrophobicContact CD1-CB 3.89Å; F434-C441 HydrophobicContact CG-CB 4.28Å; F434-C441 PolarHBondContact O-N 3.38Å; C441-K444 HydrophobicContact CB-CB 4.27Å
442L96.5Very high96.9Very high37 Ų3729.8 Ų29.819%0.19417%0.172CC..THydrogen-bonded Turntrans-74.9-37.3-179-160.664.7000111L130 R142 F145 A146 F149 S440 K444L130-L442 HydrophobicContact CD2-CD2 4.17Å; R142-L442 HydrophobicContact CG-CD1 4.2Å; R142-L442 HydrophobicContact CG-CD2 4.44Å; F145-L442 HydrophobicContact CB-CD2 3.35Å; F145-L442 HydrophobicContact CG-CD2 4.45Å; A146-L442 HydrophobicContact CB-CD1 4.12Å; F149-L442 HydrophobicContact CD2-CB 4.22Å; F149-L442 HydrophobicContact CD2-CD2 3.95Å; F149-L442 HydrophobicContact CD2-CG 3.58Å; F149-L442 HydrophobicContact CE2-CB 4.12Å; F149-L442 HydrophobicContact CE2-CD2 3.8Å; F149-L442 HydrophobicContact CE2-CG 3.79Å; F149-L442 WeakPolarHBondContact CG-O 3.42Å; S440-L442 PolarHBondContact O-N 3.12Å; S440-L442 VanDerWaalsContact O-N 3.14Å; L442-K444 VanDerWaalsContact C-N 3.27Å; L442-K444 PolarHBondContact O-N 3.44Å
443G96.6Very high97Very high15 Ų1529.4 Ų29.416%0.15517%0.17CC..THydrogen-bonded Turntrans-82.115.4176.700000115.6Q445 L446 A447G443-Q445 VanDerWaalsContact C-N 3.27Å; G443-Q445 PolarHBondContact O-N 2.89Å; G443-L446 PolarHBondContact O-N 3.24Å; G443-A447 WeakPolarHBondContact O-CB 3.35Å; G443-A447 PolarHBondContact O-N 2.87Å
444K97.3Very high97Very high90 Ų9028.8 Ų28.839%0.39117%0.166SC..Hα-helixtrans-57.3-38.5-175.769.4-180-175.6174.70113.3F434 C441 L442 T448F434-K444 HydrophobicContact CB-CB 4.12Å; F434-K444 HydrophobicContact CD1-CB 3.7Å; F434-K444 HydrophobicContact CD2-CB 3.88Å; F434-K444 HydrophobicContact CE1-CB 4.03Å; F434-K444 HydrophobicContact CE2-CB 4.19Å; F434-K444 HydrophobicContact CG-CB 3.61Å; F434-K444 HydrophobicContact CZ-CB 4.26Å; C441-K444 HydrophobicContact CB-CB 4.27Å; L442-K444 VanDerWaalsContact C-N 3.27Å; L442-K444 PolarHBondContact O-N 3.44Å; K444-T448 WeakPolarHBondContact O-CB 3.27Å; K444-T448 PolarHBondContact O-N 3.45Å; K444-T448 PolarHBondContact O-OG1 3.2Å
445Q96.6Very high97.1Very high93 Ų9326.4 Ų26.444%0.43516%0.156SC..Hα-helixtrans-73.4-42.3-178.6-62.5-59.1-7.900110.9L154 G443 T448 L449L154-Q445 HydrophobicContact CD1-CB 3.5Å; G443-Q445 VanDerWaalsContact C-N 3.27Å; G443-Q445 PolarHBondContact O-N 2.89Å; Q445-T448 PolarHBondContact O-N 3.4Å; Q445-L449 WeakPolarHBondContact O-CB 3.34Å; Q445-L449 PolarHBondContact O-N 2.79Å
446L97.1Very high97Very high15 Ų1525.7 Ų25.78%0.07915%0.148CC..Hα-helixtrans-59.5-48.2173.1178.665.4000111.8F149 L154 Y157 I161 M192 L197 G443 T448 L449 F450F149-L446 HydrophobicContact CD1-CB 4.03Å; F149-L446 HydrophobicContact CD1-CD2 4.25Å; F149-L446 HydrophobicContact CE1-CB 4.39Å; F149-L446 HydrophobicContact CE1-CD2 3.9Å; L154-L446 HydrophobicContact CD2-CB 3.72Å; L154-L446 HydrophobicContact CD2-CD1 3.76Å; L154-L446 HydrophobicContact CD2-CG 4.34Å; Y157-L446 HydrophobicContact CD2-CD1 4.26Å; I161-L446 HydrophobicContact CD1-CD1 3.89Å; M192-L446 HydrophobicContact CE-CD1 4.19Å; L197-L446 HydrophobicContact CD1-CD2 4.08Å; L197-L446 HydrophobicContact CD2-CD2 3.63Å; L197-L446 HydrophobicContact CG-CD2 4.46Å; G443-L446 PolarHBondContact O-N 3.24Å; L446-T448 VanDerWaalsContact C-N 3.31Å; L446-T448 PolarHBondContact O-N 2.97Å; L446-L449 PolarHBondContact O-N 2.83Å; L446-F450 WeakPolarHBondContact O-CB 3.5Å; L446-F450 PolarHBondContact O-N 2.81Å
447A97.8Very high96.9Very high21 Ų2125.4 Ų25.417%0.17415%0.145CC..Hα-helixtrans-61.3-41.417900000111.6F434 G443 F450 L451F434-A447 HydrophobicContact CE1-CB 4.29Å; G443-A447 WeakPolarHBondContact O-CB 3.35Å; G443-A447 PolarHBondContact O-N 2.87Å; A447-F450 PolarHBondContact O-N 3.35Å; A447-L451 VanDerWaalsContact O-CG 3.31Å; A447-L451 WeakPolarHBondContact O-CG 3.36Å; A447-L451 PolarHBondContact O-N 2.7Å
448T97.9Very high96.8Very high13 Ų1324.3 Ų24.38%0.0813%0.134CC..Hα-helixtrans-67.3-43.9177.3-54.50000111.3I358 K444 Q445 L446 F450 L451 R452I358-T448 HydrophobicContact CG2-CG2 4.25Å; K444-T448 WeakPolarHBondContact O-CB 3.27Å; K444-T448 PolarHBondContact O-N 3.45Å; K444-T448 PolarHBondContact O-OG1 3.2Å; Q445-T448 PolarHBondContact O-N 3.4Å; L446-T448 VanDerWaalsContact C-N 3.31Å; L446-T448 PolarHBondContact O-N 2.97Å; T448-F450 VanDerWaalsContact C-N 3.33Å; T448-F450 PolarHBondContact O-N 3.15Å; T448-L451 PolarHBondContact O-N 3.37Å; T448-R452 HydrophobicContact CG2-CG 4.5Å; T448-R452 VanDerWaalsContact O-CG 3.3Å; T448-R452 WeakPolarHBondContact O-CG 3.46Å; T448-R452 PolarHBondContact O-N 3.39Å
449L97.5Very high96.6Very high4 Ų421.3 Ų21.32%0.02112%0.116CC..Hα-helixtrans-58.4-46.4175.2177.259.8000111.2L154 I161 L345 I348 Q445 L446 L451 R452 I453L154-L449 HydrophobicContact CB-CD2 4.12Å; L154-L449 HydrophobicContact CD2-CD2 4.49Å; I161-L449 HydrophobicContact CD1-CD2 4.06Å; I161-L449 HydrophobicContact CD1-CG 4.47Å; L345-L449 HydrophobicContact CD1-CD1 3.63Å; L345-L449 HydrophobicContact CD1-CD2 3.96Å; L345-L449 HydrophobicContact CD1-CG 4.39Å; I348-L449 HydrophobicContact CD1-CD1 4.01Å; I348-L449 HydrophobicContact CG2-CD1 4.14Å; Q445-L449 WeakPolarHBondContact O-CB 3.34Å; Q445-L449 PolarHBondContact O-N 2.79Å; L446-L449 PolarHBondContact O-N 2.83Å; L449-L451 PolarHBondContact O-N 3.47Å; L449-R452 PolarHBondContact O-N 3.15Å; L449-I453 HydrophobicContact CD1-CD1 3.79Å; L449-I453 HydrophobicContact CD1-CG1 4.13Å; L449-I453 HydrophobicContact CG-CD1 3.84Å; L449-I453 WeakPolarHBondContact O-CG1 3.3Å; L449-I453 PolarHBondContact O-N 2.88Å
450F97.6Very high96.1Very high4 Ų419.7 Ų19.72%0.01811%0.11CC..Hα-helixtrans-57-48.9177-175.6-82.3000111.8I161 I165 L188 M192 T301 S305 L446 A447 T448 R452 I453 L454I161-F450 HydrophobicContact CG2-CD2 3.87Å; I161-F450 HydrophobicContact CG2-CE2 4.4Å; I165-F450 HydrophobicContact CD1-CD2 4.16Å; I165-F450 HydrophobicContact CD1-CE1 4.44Å; I165-F450 HydrophobicContact CD1-CE2 3.88Å; I165-F450 HydrophobicContact CD1-CZ 4.01Å; I165-F450 HydrophobicContact CG1-CE2 4Å; I165-F450 HydrophobicContact CG1-CZ 4.01Å; L188-F450 HydrophobicContact CD1-CE2 4.48Å; L188-F450 HydrophobicContact CD1-CZ 4.1Å; L188-F450 HydrophobicContact CD2-CE1 4.36Å; L188-F450 HydrophobicContact CD2-CZ 3.77Å; L188-F450 HydrophobicContact CG-CZ 3.75Å; M192-F450 HydrophobicContact CB-CE2 4.12Å; M192-F450 HydrophobicContact CG-CD2 4.01Å; M192-F450 HydrophobicContact CG-CE2 3.84Å; M192-F450 HydrophobicContact SD-CD2 4.39Å; M192-F450 HydrophobicContact SD-CE2 4.4Å; T301-F450 HydrophobicContact CG2-CD1 3.39Å; T301-F450 HydrophobicContact CG2-CE1 3.65Å; T301-F450 HydrophobicContact CG2-CG 3.89Å; T301-F450 HydrophobicContact CG2-CZ 4.33Å; S305-F450 WeakPolarHBondContact OG-CE1 3.33Å; L446-F450 WeakPolarHBondContact O-CB 3.5Å; L446-F450 PolarHBondContact O-N 2.81Å; A447-F450 PolarHBondContact O-N 3.35Å; T448-F450 VanDerWaalsContact C-N 3.33Å; T448-F450 PolarHBondContact O-N 3.15Å; F450-R452 VanDerWaalsContact C-N 3.33Å; F450-R452 PolarHBondContact O-N 3.33Å; F450-I453 PolarHBondContact O-N 3.48Å; F450-L454 HydrophobicContact CE1-CD2 4.36Å; F450-L454 WeakPolarHBondContact O-CB 3.44Å; F450-L454 PolarHBondContact O-N 2.68Å
451L98.6Very high95Very high1 Ų119.7 Ų19.71%0.00511%0.109CC..Hα-helixtrans-64.5-37.2178.6-67.6171.2000112.6A304 L308 I358 L362 A447 T448 L449 L454 A455A304-L451 HydrophobicContact CB-CD1 3.74Å; A304-L451 HydrophobicContact CB-CD2 3.71Å; A304-L451 HydrophobicContact CB-CG 4.27Å; L308-L451 HydrophobicContact CD2-CD2 4.48Å; I358-L451 HydrophobicContact CD1-CB 3.87Å; I358-L451 HydrophobicContact CG1-CB 4.43Å; I358-L451 HydrophobicContact CG2-CB 4.26Å; I358-L451 HydrophobicContact CG2-CD1 4.06Å; L362-L451 HydrophobicContact CD1-CD1 4.49Å; L362-L451 HydrophobicContact CD2-CD1 4.14Å; L362-L451 HydrophobicContact CG-CD1 4.46Å; A447-L451 VanDerWaalsContact O-CG 3.31Å; A447-L451 WeakPolarHBondContact O-CG 3.36Å; A447-L451 PolarHBondContact O-N 2.7Å; T448-L451 PolarHBondContact O-N 3.37Å; L449-L451 PolarHBondContact O-N 3.47Å; L451-L454 PolarHBondContact O-N 2.85Å; L451-A455 WeakPolarHBondContact O-CB 3.29Å; L451-A455 PolarHBondContact O-N 2.79Å
452R98.4Very high93.8Very high22 Ų2217.4 Ų17.48%0.0839%0.093CC..Hα-helixtrans-64.3-47.6175.7-73.2-179.7-176.6156.9-3.2111.3I348 L354 D355 I358 T448 L449 F450 L454 A455 I456I348-R452 HydrophobicContact CG2-CB 3.65Å; I348-R452 HydrophobicContact CG2-CG 4.29Å; L354-R452 HydrophobicContact CD2-CB 3.78Å; L354-R452 HydrophobicContact CD2-CG 3.87Å; L354-R452 HydrophobicContact CG-CB 4.41Å; L354-R452 HydrophobicContact CG-CG 4.03Å; D355-R452 IonicContact OD1-CZ 3.33Å; D355-R452 IonicContact OD1-NH2 2.65Å; D355-R452 PolarHBondContact OD1-NH2 3.2Å; I358-R452 HydrophobicContact CG1-CG 4.03Å; T448-R452 HydrophobicContact CG2-CG 4.5Å; T448-R452 VanDerWaalsContact O-CG 3.3Å; T448-R452 WeakPolarHBondContact O-CG 3.46Å; T448-R452 PolarHBondContact O-N 3.39Å; L449-R452 PolarHBondContact O-N 3.15Å; F450-R452 VanDerWaalsContact C-N 3.33Å; F450-R452 PolarHBondContact O-N 3.33Å; R452-L454 VanDerWaalsContact C-N 3.34Å; R452-L454 PolarHBondContact O-N 3.28Å; R452-A455 PolarHBondContact O-N 3.31Å; R452-I456 WeakPolarHBondContact O-CD1 3.2Å; R452-I456 WeakPolarHBondContact O-CG1 3.43Å; R452-I456 PolarHBondContact O-N 3.36Å
453I97.3Very high93.3Very high0 Ų019.1 Ų19.10%010%0.097CC..Hα-helixtrans-62.1-45177-64.2166000110L158 I161 Q162 I165 I348 L449 F450 A455 I456 E457L158-I453 HydrophobicContact CG-CD1 4.15Å; I161-I453 HydrophobicContact CB-CD1 4Å; I161-I453 HydrophobicContact CG2-CB 4.42Å; I161-I453 HydrophobicContact CG2-CD1 3.56Å; I161-I453 HydrophobicContact CG2-CG2 4.43Å; Q162-I453 HydrophobicContact CB-CG2 4.1Å; Q162-I453 HydrophobicContact CG-CG2 4.16Å; I165-I453 HydrophobicContact CD1-CB 3.97Å; I165-I453 HydrophobicContact CD1-CG2 3.66Å; I348-I453 HydrophobicContact CD1-CD1 4.32Å; I348-I453 HydrophobicContact CD1-CG1 3.8Å; L449-I453 HydrophobicContact CD1-CD1 3.79Å; L449-I453 HydrophobicContact CD1-CG1 4.13Å; L449-I453 HydrophobicContact CG-CD1 3.84Å; L449-I453 WeakPolarHBondContact O-CG1 3.3Å; L449-I453 PolarHBondContact O-N 2.88Å; F450-I453 PolarHBondContact O-N 3.48Å; I453-A455 VanDerWaalsContact C-N 3.33Å; I453-A455 PolarHBondContact O-N 3.29Å; I453-I456 PolarHBondContact O-N 2.89Å; I453-E457 HydrophobicContact CG2-CG 4.14Å; I453-E457 WeakPolarHBondContact O-CB 3.37Å; I453-E457 VanDerWaalsContact O-CG 3.29Å; I453-E457 WeakPolarHBondContact O-CG 3.33Å; I453-E457 PolarHBondContact O-N 2.93Å
454L97.9Very high93.2Very high0 Ų019.2 Ų19.20%09%0.094CC..Hα-helixtrans-58.4-44.1176179.362.2000111.9I165 S305 L308 F450 L451 R452 E457 L458I165-L454 HydrophobicContact CD1-CB 4.19Å; I165-L454 HydrophobicContact CG2-CD1 3.93Å; S305-L454 VanDerWaalsContact CB-CD2 3.5Å; L308-L454 HydrophobicContact CD2-CB 4.49Å; L308-L454 HydrophobicContact CD2-CD2 4.24Å; L308-L454 HydrophobicContact CD2-CG 4.3Å; F450-L454 HydrophobicContact CE1-CD2 4.36Å; F450-L454 WeakPolarHBondContact O-CB 3.44Å; F450-L454 PolarHBondContact O-N 2.68Å; L451-L454 PolarHBondContact O-N 2.85Å; R452-L454 VanDerWaalsContact C-N 3.34Å; R452-L454 PolarHBondContact O-N 3.28Å; L454-E457 PolarHBondContact O-N 3.31Å; L454-L458 HydrophobicContact CD1-CD1 4Å; L454-L458 HydrophobicContact CD1-CG 4.08Å; L454-L458 HydrophobicContact CG-CD1 3.81Å; L454-L458 HydrophobicContact CG-CG 4.34Å; L454-L458 VanDerWaalsContact O-CB 3.31Å; L454-L458 WeakPolarHBondContact O-CB 3.46Å; L454-L458 WeakPolarHBondContact O-CD1 3.33Å; L454-L458 WeakPolarHBondContact O-CG 3.25Å; L454-L458 PolarHBondContact O-N 3.4Å
455A97.8Very high93.1Very high2 Ų218.5 Ų18.52%0.0179%0.092CC..Hα-helixtrans-63.2-42.917700000112.3L308 L354 I358 L451 R452 I453 L458 A459L308-A455 HydrophobicContact CD1-CB 4.43Å; L308-A455 HydrophobicContact CD2-CB 3.91Å; L354-A455 HydrophobicContact CD1-CB 3.45Å; L354-A455 VanDerWaalsContact CD1-CB 3.45Å; I358-A455 HydrophobicContact CD1-CB 4.46Å; L451-A455 WeakPolarHBondContact O-CB 3.29Å; L451-A455 PolarHBondContact O-N 2.79Å; R452-A455 PolarHBondContact O-N 3.31Å; I453-A455 VanDerWaalsContact C-N 3.33Å; I453-A455 PolarHBondContact O-N 3.29Å; A455-L458 PolarHBondContact O-N 2.9Å; A455-A459 VanDerWaalsContact O-CB 3.23Å; A455-A459 WeakPolarHBondContact O-CB 3.2Å; A455-A459 PolarHBondContact O-N 3.44Å
456I95.5Very high93.1Very high2 Ų216 Ų161%0.018%0.081CC..Hα-helixtrans-60.7-49.3176.9-68.5163.9000109.9L326 L337 L343 I348 L351 L354 R452 I453 A459 S460L326-I456 HydrophobicContact CD1-CG2 4.41Å; L326-I456 HydrophobicContact CD2-CG1 4.09Å; L326-I456 HydrophobicContact CD2-CG2 4.44Å; L337-I456 HydrophobicContact CD1-CG2 4.35Å; L337-I456 HydrophobicContact CD2-CG2 3.88Å; L343-I456 HydrophobicContact CD1-CG2 4.2Å; I348-I456 HydrophobicContact CG1-CD1 4.03Å; I348-I456 HydrophobicContact CG2-CD1 4.27Å; L351-I456 HydrophobicContact CD1-CD1 3.78Å; L351-I456 HydrophobicContact CD1-CG1 4.18Å; L354-I456 HydrophobicContact CD2-CD1 3.98Å; L354-I456 HydrophobicContact CD2-CG1 3.85Å; R452-I456 WeakPolarHBondContact O-CD1 3.2Å; R452-I456 WeakPolarHBondContact O-CG1 3.43Å; R452-I456 PolarHBondContact O-N 3.36Å; I453-I456 PolarHBondContact O-N 2.89Å; I456-A459 PolarHBondContact O-N 3.42Å; I456-S460 VanDerWaalsContact O-CB 3.28Å; I456-S460 WeakPolarHBondContact O-CB 3.37Å; I456-S460 PolarHBondContact O-N 3.09Å; I456-S460 PolarHBondContact O-OG 3.08Å
457E93.4Very high93.1Very high1 Ų117.6 Ų17.61%0.00510%0.096CC..Hα-helixtrans-66.3-38.9-179.6-66.8-66.8167.300111.7Q162 I165 Q166 L169 L337 I453 L454 S460 T461Q162-E457 WeakPolarHBondContact CG-OE1 2.89Å; Q162-E457 PolarHBondContact NE2-OE1 3.2Å; I165-E457 HydrophobicContact CG2-CB 3.85Å; I165-E457 HydrophobicContact CG2-CG 3.88Å; Q166-E457 HydrophobicContact CG-CG 4.31Å; Q166-E457 WeakPolarHBondContact CG-OE2 3.33Å; Q166-E457 PolarHBondContact NE2-OE1 3.03Å; Q166-E457 PolarHBondContact NE2-OE2 3.45Å; L169-E457 HydrophobicContact CD1-CB 3.55Å; L337-E457 VanDerWaalsContact CD1-OE1 3.32Å; L337-E457 WeakPolarHBondContact CD1-OE1 3.44Å; I453-E457 HydrophobicContact CG2-CG 4.14Å; I453-E457 WeakPolarHBondContact O-CB 3.37Å; I453-E457 VanDerWaalsContact O-CG 3.29Å; I453-E457 WeakPolarHBondContact O-CG 3.33Å; I453-E457 PolarHBondContact O-N 2.93Å; L454-E457 PolarHBondContact O-N 3.31Å; E457-S460 WeakPolarHBondContact CA-OG 3.42Å; E457-S460 PolarHBondContact O-N 3.3Å; E457-S460 PolarHBondContact O-OG 2.73Å; E457-T461 WeakPolarHBondContact O-CA 3.31Å; E457-T461 WeakPolarHBondContact O-CB 3.39Å; E457-T461 PolarHBondContact O-N 2.77Å; E457-T461 PolarHBondContact O-OG1 3.29Å
458L93.5Very high92.9Very high0 Ų018.9 Ų18.90%010%0.102CC..Hα-helixtrans-64.4-44.2173.1-74.8167.9000112.2L169 I309 L312 L454 A455 S460 S462 F464 F490L169-L458 HydrophobicContact CD2-CD2 3.71Å; L169-L458 HydrophobicContact CD2-CG 4.45Å; I309-L458 HydrophobicContact CD1-CD1 4.38Å; I309-L458 HydrophobicContact CG1-CD1 3.62Å; L312-L458 HydrophobicContact CD1-CD1 4.38Å; L454-L458 HydrophobicContact CD1-CD1 4Å; L454-L458 HydrophobicContact CD1-CG 4.08Å; L454-L458 HydrophobicContact CG-CD1 3.81Å; L454-L458 HydrophobicContact CG-CG 4.34Å; L454-L458 VanDerWaalsContact O-CB 3.31Å; L454-L458 WeakPolarHBondContact O-CB 3.46Å; L454-L458 WeakPolarHBondContact O-CD1 3.33Å; L454-L458 WeakPolarHBondContact O-CG 3.25Å; L454-L458 PolarHBondContact O-N 3.4Å; A455-L458 PolarHBondContact O-N 2.9Å; L458-S460 VanDerWaalsContact C-N 3.28Å; L458-S460 PolarHBondContact O-N 3.43Å; L458-S462 PolarHBondContact O-N 2.94Å; L458-F464 HydrophobicContact CB-CE1 4.24Å; L458-F464 HydrophobicContact CD2-CD1 4.35Å; L458-F464 HydrophobicContact CD2-CE1 4.13Å; L458-F490 HydrophobicContact CD2-CE1 3.81Å
459A91.8Very high92.7Very high4 Ų430.3 Ų30.33%0.03314%0.144CC..Hα-helixtrans-66.7-31.9-179.700000112.5L319 R323 L326 A455 I456L319-A459 HydrophobicContact CD1-CB 3.87Å; R323-A459 HydrophobicContact CG-CB 4.14Å; R323-A459 PolarHBondContact NE-O 3.29Å; L326-A459 HydrophobicContact CD1-CB 3.93Å; A455-A459 VanDerWaalsContact O-CB 3.23Å; A455-A459 WeakPolarHBondContact O-CB 3.2Å; A455-A459 PolarHBondContact O-N 3.44Å; I456-A459 PolarHBondContact O-N 3.42Å
460S85.3Confident92.5Very high3 Ų337.7 Ų37.72%0.02118%0.178CC..Hα-helixtrans-95.4-30.2-176.457.30000114.6L332 I456 E457 L458L332-S460 VanDerWaalsContact CD1-CB 3.46Å; I456-S460 VanDerWaalsContact O-CB 3.28Å; I456-S460 WeakPolarHBondContact O-CB 3.37Å; I456-S460 PolarHBondContact O-N 3.09Å; I456-S460 PolarHBondContact O-OG 3.08Å; E457-S460 WeakPolarHBondContact CA-OG 3.42Å; E457-S460 PolarHBondContact O-N 3.3Å; E457-S460 PolarHBondContact O-OG 2.73Å; L458-S460 VanDerWaalsContact C-N 3.28Å; L458-S460 PolarHBondContact O-N 3.43Å
461T73.4Confident92.4Very high33 Ų3340.4 Ų40.420%0.20219%0.19CC..Hα-helixtrans-125.11.9-167710000116.1E457 L493E457-T461 WeakPolarHBondContact O-CA 3.31Å; E457-T461 WeakPolarHBondContact O-CB 3.39Å; E457-T461 PolarHBondContact O-N 2.77Å; E457-T461 PolarHBondContact O-OG1 3.29Å; T461-L493 VanDerWaalsContact CA-CD1 3.43Å; T461-L493 HydrophobicContact CG2-CD1 3.79Å; T461-L493 WeakPolarHBondContact O-CG 3.39Å
462S72.3Confident92.2Very high6 Ų640.9 Ų40.94%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-138.5129-171.9-65.30000111.9L458L458-S462 PolarHBondContact O-N 2.94Å
463R86.7Confident92Very high72 Ų7248.9 Ų48.927%0.27222%0.223SC..EExtended strand (participates in β ladder)trans-94.7132.4155-174.7-174.3103.2878.9106.5E465 Y491 N498R463-E465 IonicContact CZ-OE1 3.85Å; R463-E465 VanDerWaalsContact CZ-OE1 3.24Å; R463-E465 IonicContact CZ-OE2 2.68Å; R463-E465 IonicContact NH1-OE1 3.66Å; R463-E465 PolarHBondContact NH1-OE1 2.93Å; R463-E465 VanDerWaalsContact NH2-CD 3.31Å; R463-E465 IonicContact NH2-OE1 2.79Å; R463-E465 PolarHBondContact NH2-OE1 3.35Å; R463-E465 VanDerWaalsContact NH2-OE1 3.11Å; R463-E465 IonicContact NH2-OE2 3.4Å; R463-E465 PolarHBondContact NH2-OE2 3.08Å; R463-Y491 HydrophobicContact CB-CD2 4.38Å; R463-Y491 HydrophobicContact CG-CD2 4.25Å; R463-Y491 PolarHBondContact N-O 3.39Å; R463-Y491 PolarHBondContact NH2-OH 2.84Å; R463-Y491 WeakPolarHBondContact O-CD2 3.35Å; R463-Y491 PolarHBondContact O-N 3.48Å; R463-N498 WeakPolarHBondContact CD-OD1 3.47Å
464F93.7Very high91.7Very high18 Ų1850.7 Ų50.78%0.07923%0.234CC..EExtended strand (participates in β ladder)trans-146142.9-17854-82.1000111I309 L312 L313 L319 L458 V488 K489 F490I309-F464 HydrophobicContact CG2-CD2 4.25Å; I309-F464 HydrophobicContact CG2-CE2 4.21Å; L312-F464 HydrophobicContact CB-CE2 4.32Å; L312-F464 HydrophobicContact CB-CZ 4.12Å; L313-F464 HydrophobicContact CD1-CD2 4.33Å; L313-F464 HydrophobicContact CD2-CD2 3.52Å; L313-F464 HydrophobicContact CD2-CE2 3.9Å; L313-F464 WeakPolarHBondContact CD2-O 3.45Å; L313-F464 HydrophobicContact CG-CD2 3.69Å; L313-F464 HydrophobicContact CG-CE2 3.75Å; L319-F464 HydrophobicContact CD2-CE1 4.16Å; L319-F464 HydrophobicContact CD2-CZ 4.01Å; L458-F464 HydrophobicContact CB-CE1 4.24Å; L458-F464 HydrophobicContact CD2-CD1 4.35Å; L458-F464 HydrophobicContact CD2-CE1 4.13Å; F464-V488 HydrophobicContact CB-CG1 3.85Å; F464-V488 HydrophobicContact CD2-CG1 4.38Å; F464-K489 CarbonylContact C-O 3.54Å; F464-K489 VanDerWaalsContact CA-O 3.22Å; F464-K489 WeakPolarHBondContact CA-O 3.48Å; F464-F490 HydrophobicContact CB-CD1 3.71Å; F464-F490 HydrophobicContact CB-CE1 3.78Å; F464-F490 HydrophobicContact CB-CG 4.13Å; F464-F490 HydrophobicContact CB-CZ 4.25Å; F464-F490 HydrophobicContact CD1-CE1 4.32Å; F464-F490 HydrophobicContact CG-CD1 4.37Å; F464-F490 HydrophobicContact CG-CE1 4.04Å
465E95.5Very high91.3Very high75 Ų7553.3 Ų53.335%0.3525%0.248SC..EExtended strand (participates in β ladder)trans-135.6144.6-172.7-67.3175.2157.100110.9R463 A467 V488 K489 Y491R463-E465 IonicContact CZ-OE1 3.85Å; R463-E465 VanDerWaalsContact CZ-OE1 3.24Å; R463-E465 IonicContact CZ-OE2 2.68Å; R463-E465 IonicContact NH1-OE1 3.66Å; R463-E465 PolarHBondContact NH1-OE1 2.93Å; R463-E465 VanDerWaalsContact NH2-CD 3.31Å; R463-E465 IonicContact NH2-OE1 2.79Å; R463-E465 PolarHBondContact NH2-OE1 3.35Å; R463-E465 VanDerWaalsContact NH2-OE1 3.11Å; R463-E465 IonicContact NH2-OE2 3.4Å; R463-E465 PolarHBondContact NH2-OE2 3.08Å; E465-A467 PolarHBondContact O-N 3.45Å; E465-V488 WeakPolarHBondContact O-CA 3.4Å; E465-V488 WeakPolarHBondContact O-CG1 3.29Å; E465-K489 PolarHBondContact N-O 2.72Å; E465-K489 PolarHBondContact O-N 3.43Å; E465-Y491 HydrophobicContact CB-CE2 4.27Å; E465-Y491 HydrophobicContact CG-CE2 4Å; E465-Y491 VanDerWaalsContact OE2-CE2 3.27Å; E465-Y491 WeakPolarHBondContact OE2-CE2 3.44Å; E465-Y491 PolarHBondContact OE2-OH 3.23Å
466L97.1Very high90.7Very high41 Ų4154.2 Ų54.222%0.21525%0.253CS..EExtended strand (participates in β ladder)trans-65.7125.1172.7-173.370.8000109.3T468 F471 L486L466-T468 VanDerWaalsContact C-N 3.28Å; L466-T468 VanDerWaalsContact CD2-O 3.3Å; L466-T468 WeakPolarHBondContact CD2-O 3.44Å; L466-T468 WeakPolarHBondContact CG-O 3.33Å; L466-T468 WeakPolarHBondContact CG-OG1 3.37Å; L466-T468 PolarHBondContact O-N 3.09Å; L466-F471 HydrophobicContact CD1-CD1 4.04Å; L466-F471 HydrophobicContact CD1-CE1 4.04Å; L466-F471 HydrophobicContact CD2-CD1 3.94Å; L466-F471 HydrophobicContact CD2-CD2 3.91Å; L466-F471 HydrophobicContact CD2-CE1 3.94Å; L466-F471 HydrophobicContact CD2-CE2 3.91Å; L466-F471 HydrophobicContact CD2-CG 3.93Å; L466-F471 HydrophobicContact CD2-CZ 3.92Å; L466-F471 HydrophobicContact CG-CE1 4.43Å; L466-L486 HydrophobicContact CD1-CD1 3.81Å
467A96.3Very high89.9Confident48 Ų4857 Ų5740%0.39727%0.27SS..SBendtrans-87.72.4-179.100000113.4P178 E465 K487P178-A467 HydrophobicContact CB-CB 3.44Å; P178-A467 VanDerWaalsContact CB-CB 3.44Å; P178-A467 HydrophobicContact CG-CB 3.51Å; E465-A467 PolarHBondContact O-N 3.45Å; A467-K487 HydrophobicContact CB-CB 4.19Å; A467-K487 PolarHBondContact N-O 3.08Å
468T94.3Very high89.3Confident48 Ų4860.9 Ų60.929%0.29430%0.295SS..SBendtrans-116.7157.7176.955.50000110.3L466 Q470 K487L466-T468 VanDerWaalsContact C-N 3.28Å; L466-T468 VanDerWaalsContact CD2-O 3.3Å; L466-T468 WeakPolarHBondContact CD2-O 3.44Å; L466-T468 WeakPolarHBondContact CG-O 3.33Å; L466-T468 WeakPolarHBondContact CG-OG1 3.37Å; L466-T468 PolarHBondContact O-N 3.09Å; T468-Q470 VanDerWaalsContact C-N 3.26Å; T468-Q470 PolarHBondContact O-N 2.92Å; T468-Q470 PolarHBondContact OG1-O 3.1Å; T468-K487 HydrophobicContact CG2-CB 4.03Å; T468-K487 HydrophobicContact CG2-CG 4.39Å
469R92.7Very high89.2Confident252 Ų25262 Ų6295%0.95130%0.302SS*.SBendtrans-66.2-29177.6-67.7-175.2178.6177.6-1.1113.5
470Q94.6Very high89.4Confident160 Ų16061.9 Ų61.975%0.74830%0.301SS*.SBendtrans-136150-175.8-66.4179.91.300109.5T468T468-Q470 VanDerWaalsContact C-N 3.26Å; T468-Q470 PolarHBondContact O-N 2.92Å; T468-Q470 PolarHBondContact OG1-O 3.1Å
471F95.3Very high89.8Confident61 Ų6163.5 Ų63.527%0.26831%0.308SS..PPolyproline II helixtrans-68.7137.9172-72.6-87.6000110.5M310 L313 R314 L466 L486M310-F471 HydrophobicContact CG-CD1 4.03Å; M310-F471 HydrophobicContact CG-CE1 4.35Å; L313-F471 HydrophobicContact CB-CE1 3.74Å; L313-F471 HydrophobicContact CB-CZ 3.86Å; L313-F471 HydrophobicContact CD1-CE1 4.39Å; R314-F471 HydrophobicContact CB-CZ 4.24Å; R314-F471 HydrophobicContact CG-CD1 3.85Å; R314-F471 HydrophobicContact CG-CD2 3.84Å; R314-F471 HydrophobicContact CG-CE1 3.53Å; R314-F471 HydrophobicContact CG-CE2 3.53Å; R314-F471 HydrophobicContact CG-CG 4Å; R314-F471 HydrophobicContact CG-CZ 3.36Å; L466-F471 HydrophobicContact CD1-CD1 4.04Å; L466-F471 HydrophobicContact CD1-CE1 4.04Å; L466-F471 HydrophobicContact CD2-CD1 3.94Å; L466-F471 HydrophobicContact CD2-CD2 3.91Å; L466-F471 HydrophobicContact CD2-CE1 3.94Å; L466-F471 HydrophobicContact CD2-CE2 3.91Å; L466-F471 HydrophobicContact CD2-CG 3.93Å; L466-F471 HydrophobicContact CD2-CZ 3.92Å; L466-F471 HydrophobicContact CG-CE1 4.43Å; F471-L486 HydrophobicContact CD1-CD1 4.19Å
472P94.1Very high90.9Very high11 Ų1162 Ų627%0.07130%0.299CS..PPolyproline II helixtrans-65.5153.817928.4-39.3000112.8P482 V483 D484 L486P472-P482 HydrophobicContact CB-CB 4.1Å; P472-P482 HydrophobicContact CG-CB 3.56Å; P472-P482 HydrophobicContact CG-CG 4.37Å; P472-V483 HydrophobicContact CB-CG2 3.99Å; P472-D484 WeakPolarHBondContact CB-OD1 3.38Å; P472-D484 WeakPolarHBondContact CG-OD1 3.33Å; P472-L486 HydrophobicContact CG-CD1 4.14Å
473R92.9Very high92Very high189 Ų18965.1 Ų65.171%0.71332%0.318SS*.PPolyproline II helixtrans-63.2146.5166.6-173.5179.366.7145.7-0.6110V483R473-V483 HydrophobicContact CB-CG1 4.29Å; R473-V483 HydrophobicContact CB-CG2 4.38Å; R473-V483 WeakPolarHBondContact O-CG1 3.29Å; R473-V483 WeakPolarHBondContact O-CG2 3.24Å; R473-V483 PolarHBondContact O-N 2.84Å
474V92.3Very high92.3Very high39 Ų3964.2 Ų64.224%0.23632%0.318CS..EExtended strand (participates in β ladder)trans-95.9130.5177178.80000110.7M310 Y365 V480M310-V474 HydrophobicContact CE-CG2 3.93Å; M310-V474 HydrophobicContact SD-CG2 4.34Å; Y365-V474 HydrophobicContact CE1-CG2 4.33Å; V474-V480 HydrophobicContact CG1-CG1 3.53Å
475I89.3Confident92.4Very high55 Ų5563.5 Ų63.528%0.28232%0.316SS..EExtended strand (participates in β ladder)trans-83.1136.7166-62.2169.5000107.7V477 V480 H481 V483I475-V477 WeakPolarHBondContact CG2-O 3.38Å; I475-V480 CarbonylContact O-C 3.58Å; I475-V480 WeakPolarHBondContact O-CA 3.35Å; I475-H481 WeakPolarHBondContact CB-O 3.49Å; I475-H481 PolarHBondContact N-O 2.8Å; I475-H481 PolarHBondContact O-N 3.48Å; I475-V483 HydrophobicContact CD1-CB 4.4Å; I475-V483 HydrophobicContact CD1-CG1 3.83Å; I475-V483 HydrophobicContact CG1-CG1 3.58Å
476T84.5Confident92.6Very high20 Ų2059.9 Ų59.912%0.12330%0.299CS..  trans-111.8-2.8-174.8610000114.6S369S369-T476 PolarHBondContact OG-O 3.42Å
477V79.9Confident92.6Very high60 Ų6061.7 Ų61.736%0.36431%0.305SS..SBendtrans-143.6138.3-177.8-177.40000109.1W65 I475W65-V477 HydrophobicContact CZ2-CG1 4.4Å; I475-V477 WeakPolarHBondContact CG2-O 3.38Å
478P80.1Confident92.7Very high83 Ų8359.4 Ų59.454%0.53929%0.286SS..SBendcis-75.3-24.3-4.430.6-34.5000113.1
479V91.9Very high92.8Very high23 Ų2359 Ų5914%0.13928%0.28CS..SBendtrans-129.9141-179.2176.40000108.6A299 S303 P367 H481A299-V479 HydrophobicContact CB-CG1 4.36Å; A299-V479 HydrophobicContact CB-CG2 4.07Å; S303-V479 VanDerWaalsContact CB-CG1 3.48Å; P367-V479 WeakPolarHBondContact O-CA 3.4Å; V479-H481 PolarHBondContact O-N 3.12Å; V479-H481 PolarHBondContact O-ND1 3.01Å
480V94.4Very high92.9Very high3 Ų347 Ų472%0.01824%0.235CC..  trans-67.4120.6-177.5172.30000111.4S303 T366 P367 V474 I475S303-V480 WeakPolarHBondContact CB-O 3.47Å; S303-V480 PolarHBondContact OG-O 3.03Å; T366-V480 WeakPolarHBondContact O-CG2 3.45Å; P367-V480 PolarHBondContact O-N 2.97Å; P367-V480 VanDerWaalsContact O-N 3.09Å; V474-V480 HydrophobicContact CG1-CG1 3.53Å; I475-V480 CarbonylContact O-C 3.58Å; I475-V480 WeakPolarHBondContact O-CA 3.35Å
481H95.2Very high92.6Very high36 Ų3642.5 Ų42.517%0.16721%0.212CC..EExtended strand (participates in β ladder)trans-159.9155.3173.861.3-73.8000112.8Y182 I475 V479Y182-H481 HydrophobicContact CD1-CB 4Å; Y182-H481 AromaticContact CD1-CD2 3.82Å; Y182-H481 HydrophobicContact CD2-CB 3.72Å; Y182-H481 HydrophobicContact CE1-CB 3.85Å; Y182-H481 AromaticContact CE1-CD2 3.54Å; Y182-H481 AromaticContact CE1-CG 3.63Å; Y182-H481 HydrophobicContact CE2-CB 3.58Å; Y182-H481 HydrophobicContact CG-CB 3.94Å; Y182-H481 AromaticContact CZ-CG 3.69Å; I475-H481 WeakPolarHBondContact CB-O 3.49Å; I475-H481 PolarHBondContact N-O 2.8Å; I475-H481 PolarHBondContact O-N 3.48Å; V479-H481 PolarHBondContact O-N 3.12Å; V479-H481 PolarHBondContact O-ND1 3.01Å
482P96.1Very high91.4Very high1 Ų141 Ų411%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-63.4140.1172.3-28.741.2000114T306 M310 P472 D484 G485 L486T306-P482 HydrophobicContact CG2-CG 3.91Å; M310-P482 HydrophobicContact SD-CG 4.13Å; P472-P482 HydrophobicContact CB-CB 4.1Å; P472-P482 HydrophobicContact CG-CB 3.56Å; P472-P482 HydrophobicContact CG-CG 4.37Å; P482-D484 VanDerWaalsContact C-N 3.28Å; P482-D484 PolarHBondContact O-N 3.15Å; P482-G485 PolarHBondContact O-N 3.36Å; P482-L486 HydrophobicContact CB-CB 4.11Å; P482-L486 HydrophobicContact CG-CB 3.92Å
483V94.4Very high89.5Confident72 Ų7243 Ų4344%0.43622%0.223SC..THydrogen-bonded Turntrans-58.2-33.9-177.5-69.40000114.3P472 R473 I475P472-V483 HydrophobicContact CB-CG2 3.99Å; R473-V483 HydrophobicContact CB-CG1 4.29Å; R473-V483 HydrophobicContact CB-CG2 4.38Å; R473-V483 WeakPolarHBondContact O-CG1 3.29Å; R473-V483 WeakPolarHBondContact O-CG2 3.24Å; R473-V483 PolarHBondContact O-N 2.84Å; I475-V483 HydrophobicContact CD1-CB 4.4Å; I475-V483 HydrophobicContact CD1-CG1 3.83Å; I475-V483 HydrophobicContact CG1-CG1 3.58Å
484D94.7Very high87.6Confident53 Ų5341.9 Ų41.928%0.28323%0.231SC..THydrogen-bonded Turntrans-100.63.5179.367.6-8.5000112.6N180 P472 P482 L486N180-D484 PolarHBondContact ND2-O 3.08Å; P472-D484 WeakPolarHBondContact CB-OD1 3.38Å; P472-D484 WeakPolarHBondContact CG-OD1 3.33Å; P482-D484 VanDerWaalsContact C-N 3.28Å; P482-D484 PolarHBondContact O-N 3.15Å; D484-L486 VanDerWaalsContact C-N 3.33Å; D484-L486 WeakPolarHBondContact OD1-CA 3.45Å; D484-L486 PolarHBondContact OD1-N 3.27Å
485G95.7Very high85.2Confident3 Ų342.1 Ų42.13%0.03123%0.234CC..  trans71.117.3-174.600000115.7N180 V181 Y182 P482N180-G485 WeakPolarHBondContact OD1-CA 3.43Å; N180-G485 PolarHBondContact OD1-O 3.49Å; V181-G485 PolarHBondContact N-O 3.37Å; Y182-G485 PolarHBondContact N-O 3.3Å; P482-G485 PolarHBondContact O-N 3.36Å
486L98.3Very high82.7Confident0 Ų047.6 Ų47.60%027%0.265CS..  trans59.699.4179.6-174.277.1000112.6V181 T306 I309 M310 L313 L466 F471 P472 P482 D484 V488V181-L486 HydrophobicContact CB-CB 4.29Å; V181-L486 HydrophobicContact CB-CD2 4.16Å; V181-L486 WeakPolarHBondContact CB-O 3.48Å; V181-L486 HydrophobicContact CG1-CD2 4.27Å; V181-L486 HydrophobicContact CG2-CD2 4.32Å; V181-L486 WeakPolarHBondContact CG2-O 3.23Å; V181-L486 PolarHBondContact N-O 3.33Å; T306-L486 HydrophobicContact CG2-CB 4.24Å; T306-L486 HydrophobicContact CG2-CD2 4.15Å; I309-L486 HydrophobicContact CG2-CD2 4.12Å; M310-L486 HydrophobicContact CB-CD1 4.34Å; M310-L486 HydrophobicContact CB-CD2 3.83Å; M310-L486 HydrophobicContact CG-CD1 4.07Å; M310-L486 HydrophobicContact CG-CD2 4.47Å; M310-L486 HydrophobicContact SD-CD1 4.44Å; L313-L486 HydrophobicContact CD1-CD2 4.46Å; L466-L486 HydrophobicContact CD1-CD1 3.81Å; F471-L486 HydrophobicContact CD1-CD1 4.19Å; P472-L486 HydrophobicContact CG-CD1 4.14Å; P482-L486 HydrophobicContact CB-CB 4.11Å; P482-L486 HydrophobicContact CG-CB 3.92Å; D484-L486 VanDerWaalsContact C-N 3.33Å; D484-L486 WeakPolarHBondContact OD1-CA 3.45Å; D484-L486 PolarHBondContact OD1-N 3.27Å; L486-V488 HydrophobicContact CD2-CG2 3.99Å; L486-V488 HydrophobicContact CG-CG2 3.72Å
487K98.3Very high80.8Confident78 Ų7853.5 Ų53.534%0.33929%0.291SS..EExtended strand (participates in β ladder)trans-83.1115.4-179.9-61.5-64.3-175.8163.60110.9I179 A467 T468I179-K487 WeakPolarHBondContact O-CA 3.36Å; A467-K487 HydrophobicContact CB-CB 4.19Å; A467-K487 PolarHBondContact N-O 3.08Å; T468-K487 HydrophobicContact CG2-CB 4.03Å; T468-K487 HydrophobicContact CG2-CG 4.39Å
488V97.9Very high79.1Confident0 Ų055.3 Ų55.30%030%0.298CS..EExtended strand (participates in β ladder)trans-134.5137.7-174.3-177.60000110.2P178 I179 V181 L313 F464 E465 L486 F490P178-V488 CarbonylContact C-O 3.52Å; P178-V488 WeakPolarHBondContact CA-O 3.28Å; I179-V488 PolarHBondContact N-O 2.7Å; I179-V488 PolarHBondContact O-N 2.96Å; I179-V488 VanDerWaalsContact O-N 3.13Å; V181-V488 HydrophobicContact CG2-CB 3.63Å; V181-V488 HydrophobicContact CG2-CG2 3.49Å; V181-V488 VanDerWaalsContact CG2-CG2 3.49Å; L313-V488 HydrophobicContact CD1-CG1 4.26Å; L313-V488 HydrophobicContact CD1-CG2 3.63Å; F464-V488 HydrophobicContact CB-CG1 3.85Å; F464-V488 HydrophobicContact CD2-CG1 4.38Å; E465-V488 WeakPolarHBondContact O-CA 3.4Å; E465-V488 WeakPolarHBondContact O-CG1 3.29Å; L486-V488 HydrophobicContact CD2-CG2 3.99Å; L486-V488 HydrophobicContact CG-CG2 3.72Å; V488-F490 HydrophobicContact CB-CD2 4.37Å; V488-F490 HydrophobicContact CB-CE2 3.82Å; V488-F490 HydrophobicContact CG1-CD2 3.91Å; V488-F490 HydrophobicContact CG1-CE2 3.49Å; V488-F490 VanDerWaalsContact CG1-CE2 3.49Å; V488-F490 HydrophobicContact CG1-CZ 3.97Å
489K96.8Very high77.1Confident39 Ų3959.8 Ų59.817%0.1731%0.312CS..EExtended strand (participates in β ladder)trans-96.5126168.9178.364.1-175.9-177.70108.8N175 P176 P178 F464 E465 Y491N175-K489 PolarHBondContact O-NZ 3.49Å; P176-K489 PolarHBondContact O-NZ 3.32Å; P178-K489 HydrophobicContact CG-CB 4.47Å; F464-K489 CarbonylContact C-O 3.54Å; F464-K489 VanDerWaalsContact CA-O 3.22Å; F464-K489 WeakPolarHBondContact CA-O 3.48Å; E465-K489 PolarHBondContact N-O 2.72Å; E465-K489 PolarHBondContact O-N 3.43Å; K489-Y491 HydrophobicContact CB-CE2 4.27Å; K489-Y491 HydrophobicContact CG-CD2 4.4Å; K489-Y491 HydrophobicContact CG-CE1 3.86Å; K489-Y491 HydrophobicContact CG-CE2 3.73Å; K489-Y491 VanDerWaalsContact CG-CZ 3.43Å
490F94.2Very high74.7Confident2 Ų265.1 Ų65.11%0.00934%0.338CS..EExtended strand (participates in β ladder)trans-101.4146173.1-72.4-100.9000109.6L169 W172 I179 V181 I309 L458 F464 V488L169-F490 HydrophobicContact CD2-CE1 4.38Å; W172-F490 HydrophobicContact CB-CB 4.24Å; W172-F490 HydrophobicContact CB-CD2 4.11Å; W172-F490 HydrophobicContact CB-CG 4.05Å; W172-F490 HydrophobicContact CE3-CD1 4.37Å; W172-F490 HydrophobicContact CE3-CD2 4.46Å; W172-F490 AromaticContact CE3-CE1 3.88Å; W172-F490 HydrophobicContact CE3-CE1 3.88Å; W172-F490 AromaticContact CE3-CE2 3.99Å; W172-F490 HydrophobicContact CE3-CE2 3.99Å; W172-F490 AromaticContact CE3-CZ 3.68Å; W172-F490 HydrophobicContact CE3-CZ 3.68Å; W172-F490 HydrophobicContact CZ3-CE1 4.4Å; W172-F490 HydrophobicContact CZ3-CZ 4.08Å; I179-F490 HydrophobicContact CD1-CD2 3.86Å; I179-F490 HydrophobicContact CD1-CE2 3.69Å; I179-F490 HydrophobicContact CG1-CD2 4.02Å; I179-F490 HydrophobicContact CG1-CE2 3.99Å; V181-F490 HydrophobicContact CG2-CE2 4.01Å; V181-F490 HydrophobicContact CG2-CZ 4.43Å; I309-F490 HydrophobicContact CD1-CZ 4.44Å; I309-F490 HydrophobicContact CG2-CZ 4.43Å; L458-F490 HydrophobicContact CD2-CE1 3.81Å; F464-F490 HydrophobicContact CB-CD1 3.71Å; F464-F490 HydrophobicContact CB-CE1 3.78Å; F464-F490 HydrophobicContact CB-CG 4.13Å; F464-F490 HydrophobicContact CB-CZ 4.25Å; F464-F490 HydrophobicContact CD1-CE1 4.32Å; F464-F490 HydrophobicContact CG-CD1 4.37Å; F464-F490 HydrophobicContact CG-CE1 4.04Å; V488-F490 HydrophobicContact CB-CD2 4.37Å; V488-F490 HydrophobicContact CB-CE2 3.82Å; V488-F490 HydrophobicContact CG1-CD2 3.91Å; V488-F490 HydrophobicContact CG1-CE2 3.49Å; V488-F490 VanDerWaalsContact CG1-CE2 3.49Å; V488-F490 HydrophobicContact CG1-CZ 3.97Å
491Y87.8Confident71.8Confident65 Ų6571.6 Ų71.626%0.25537%0.372SS..EExtended strand (participates in β ladder)trans-127.4133.6176.8-51.3-93.9000108.5R463 E465 K489R463-Y491 HydrophobicContact CB-CD2 4.38Å; R463-Y491 HydrophobicContact CG-CD2 4.25Å; R463-Y491 PolarHBondContact N-O 3.39Å; R463-Y491 PolarHBondContact NH2-OH 2.84Å; R463-Y491 WeakPolarHBondContact O-CD2 3.35Å; R463-Y491 PolarHBondContact O-N 3.48Å; E465-Y491 HydrophobicContact CB-CE2 4.27Å; E465-Y491 HydrophobicContact CG-CE2 4Å; E465-Y491 VanDerWaalsContact OE2-CE2 3.27Å; E465-Y491 WeakPolarHBondContact OE2-CE2 3.44Å; E465-Y491 PolarHBondContact OE2-OH 3.23Å; K489-Y491 HydrophobicContact CB-CE2 4.27Å; K489-Y491 HydrophobicContact CG-CD2 4.4Å; K489-Y491 HydrophobicContact CG-CE1 3.86Å; K489-Y491 HydrophobicContact CG-CE2 3.73Å; K489-Y491 VanDerWaalsContact CG-CZ 3.43Å
492G69.8Low68.8Low28 Ų2874.3 Ų74.329%0.28940%0.401SS..EExtended strand (participates in β ladder)trans-75156.7179.700000113D494 S495G492-D494 PolarHBondContact O-N 3.44Å; G492-S495 PolarHBondContact O-N 3.36Å; G492-S495 PolarHBondContact O-OG 2.63Å
493L55.7Low65.8Low55 Ų5580.5 Ų80.529%0.28843%0.427SS..THydrogen-bonded Turntrans-61.3-24.7177.4-76.5172.4000114.6T461 S495T461-L493 VanDerWaalsContact CA-CD1 3.43Å; T461-L493 HydrophobicContact CG2-CD1 3.79Å; T461-L493 WeakPolarHBondContact O-CG 3.39Å; L493-S495 PolarHBondContact O-N 3.03Å; L493-S495 VanDerWaalsContact O-N 3.15Å
494D51.8Low62.9Low164 Ų16481.9 Ų81.988%0.87744%0.44SS*.THydrogen-bonded Turntrans-73-3.2-178.5-61.7-26.7000113.2G492 N496G492-D494 PolarHBondContact O-N 3.44Å; D494-N496 PolarHBondContact O-N 3.24Å
495S42.7Very low60Low44 Ų4486.6 Ų86.631%0.30847%0.466SS..SBendtrans-85.9110.5170.961.80000109.5G492 L493 Q497G492-S495 PolarHBondContact O-N 3.36Å; G492-S495 PolarHBondContact O-OG 2.63Å; L493-S495 PolarHBondContact O-N 3.03Å; L493-S495 VanDerWaalsContact O-N 3.15Å; S495-Q497 PolarHBondContact O-N 3.03Å
496N37.1Very low57Low171 Ų17193 Ų9391%0.91450%0.495SS*.SBendtrans-60.141.7177.2-74-29.8000114.7D494D494-N496 PolarHBondContact O-N 3.24Å
497Q43.5Very low53.7Low144 Ų144100.9 Ų100.967%0.67354%0.536SS*.  trans-129.823.9-169.9-67.4-167.7-9.800113.9S495 E499S495-Q497 PolarHBondContact O-N 3.03Å; Q497-E499 PolarHBondContact O-N 3.28Å; Q497-E499 VanDerWaalsContact O-N 3.12Å
498N44.5Very low50.7Low97 Ų97105.4 Ų105.452%0.51956%0.563SS.*  trans-8747.3176.7-75.9-24.6000113.1R463R463-N498 WeakPolarHBondContact CD-OD1 3.47Å
499E39.5Very low47.7Very low178 Ų178108.6 Ų108.683%0.83260%0.596SS**SBendtrans-85.9119.4148-78.3-172.7173.200106.7Q497 L501Q497-E499 PolarHBondContact O-N 3.28Å; Q497-E499 VanDerWaalsContact O-N 3.12Å; E499-L501 PolarHBondContact O-N 3.4Å
500I40Very low44.5Very low134 Ų134111 Ų11169%0.68762%0.623SS**  trans-55.5109.2165.7-63172000105.3A502I500-A502 PolarHBondContact O-N 3.32Å
501L34.2Very low41.5Very low139 Ų139117.2 Ų117.273%0.72866%0.661SS**  trans-60.695.3168.1-87.3163.8000106.9E499 K503E499-L501 PolarHBondContact O-N 3.4Å; L501-K503 HydrophobicContact CD2-CB 4.29Å; L501-K503 PolarHBondContact O-N 2.84Å
502A32.1Very low38.9Very low93 Ų93124.5 Ų124.577%0.76971%0.712SS**  trans-68.431.416400000111.4I500I500-A502 PolarHBondContact O-N 3.32Å
503K33.2Very low37.4Very low131 Ų131129.4 Ų129.457%0.5773%0.733SS**  trans-122.561.3-177.8-82.1-166.3169.5-1360110.4L501 E506L501-K503 HydrophobicContact CD2-CB 4.29Å; L501-K503 PolarHBondContact O-N 2.84Å; K503-E506 WeakPolarHBondContact CE-OE2 2.83Å; K503-E506 IonicContact NZ-OE2 3.55Å; K503-E506 PolarHBondContact NZ-OE2 3.26Å
504S33.2Very low36.4Very low101 Ų101133.3 Ų133.371%0.70676%0.757SS**SBendtrans-110.810.5160.455.10000112.9
505D33.3Very low35.6Very low153 Ų153131.6 Ų131.682%0.81875%0.75SS**SBendtrans-96.8-4.4172.8-81.5-12.2000113.9
506E32.7Very low35.2Very low138 Ų138136.7 Ų136.765%0.64578%0.776SS**SBendtrans-98.9-2.1-179.9-87.6-178.5153.800114.9K503K503-E506 WeakPolarHBondContact CE-OE2 2.83Å; K503-E506 IonicContact NZ-OE2 3.55Å; K503-E506 PolarHBondContact NZ-OE2 3.26Å
507L30.1Very low35Very low165 Ų165134.6 Ų134.686%0.86477%0.768SS**THydrogen-bonded Turntrans-101.712.6-178-100.3154.3000115
508L33.8Very low34.5Very low172 Ų172133.9 Ų133.990%0.90177%0.774SS**THydrogen-bonded Turntrans-106.415.8169.2-81167.8000113.6
509G36.5Very low33.8Very low68 Ų68136.6 Ų136.670%0.70179%0.792SS**  trans-12871.8179.600000113.4
510A28.1Very low33.3Very low88 Ų88133.4 Ų133.473%0.72779%0.789SS**  trans-161.387.6157.600000112
511T31.7Very low32.8Very low134 Ų134133.3 Ų133.382%0.82280%0.798SS**  trans57.5116.3136.637.40000122.5
512V34.4Very low32.6Very low218 Ų218132.8 Ų132.8100%1.32180%0.804SS**  trans72.70146.9-167.50000118.8

Retrieved 512 of 512 residues in 305.8 ms (Link to these results)

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