A0A087Y9E5_POEFO Loading...

Kelch-like protein 14

AlphaFold DB , UniProt , Accession A0A087Y9E5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 606 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
1M46.4Very low60Low250 Ų250162 Ų162100%1.23287%0.871SS**  0107.70-75.5-175.7-175.600109.1
2S43.4Very low62.3Low125 Ų125156.2 Ų156.287%0.87484%0.839SS**  trans-166.6122.8132.562.60000107.8
3R47.5Very low64Low250 Ų250150 Ų15094%0.94381%0.813SS**  trans-76.1121.9-175.5-70.9171.2169.2174.8-5.2109G5R3-G5 VanDerWaalsContact C-N 3.29Å; R3-G5 PolarHBondContact O-N 2.92Å; R3-G5 VanDerWaalsContact O-N 3.12Å
4S52Low65.8Low120 Ų120144.7 Ų144.784%0.83979%0.788SS**  trans-74.690.6154.253.20000106.9D6S4-D6 PolarHBondContact O-N 3.16Å
5G52.1Low67.5Low60 Ų60143.1 Ų143.162%0.61977%0.773SS**  trans-62.3129.1179.800000111.5R3 R7R3-G5 VanDerWaalsContact C-N 3.29Å; R3-G5 PolarHBondContact O-N 2.92Å; R3-G5 VanDerWaalsContact O-N 3.12Å; G5-R7 PolarHBondContact O-N 2.93Å
6D58.2Low68.8Low157 Ų157138.7 Ų138.784%0.8476%0.756SS**  trans-50.6114.6167.4-68.6-47000110S4S4-D6 PolarHBondContact O-N 3.16Å
7R62.7Low70Confident250 Ų250137.1 Ų137.194%0.94375%0.746SS**  trans-88.4106.2168.6-75-174.7171.7-174.3-2.4108.4G5G5-R7 PolarHBondContact O-N 2.93Å
8T62.9Low71.1Confident130 Ų130134.7 Ų134.780%0.79874%0.737SS**  trans-92.3128.1166.446.10000109.4
9S72.8Confident72.3Confident124 Ų124132.6 Ų132.687%0.86773%0.725SS**  trans-104.4127.4172.4178.10000108.5
10T79.4Confident73.3Confident136 Ų136128.2 Ų128.283%0.83470%0.7SS**  trans-114.5139.4176.949.90000109.8
11F83Confident74.2Confident180 Ų180127.5 Ų127.579%0.78969%0.691SS**  trans-112.5122.9-178.9175.6-103.8000109.7P13F11-P13 HydrophobicContact CD1-CB 4.49Å; F11-P13 HydrophobicContact CE1-CB 3.83Å; F11-P13 HydrophobicContact CZ-CB 4.48Å
12D87.6Confident76.5Confident92 Ų92117 Ų11749%0.49265%0.647SS.*  trans-102.4107.2172.4178.44.4000109.5T14D12-T14 PolarHBondContact O-N 3.49Å; D12-T14 WeakPolarHBondContact OD1-CB 3.48Å; D12-T14 PolarHBondContact OD1-N 3.24Å; D12-T14 PolarHBondContact OD1-OG1 2.6Å; D12-T14 PolarHBondContact OD2-OG1 2.77Å
13P83.7Confident78.9Confident76 Ų76113.2 Ų113.249%0.49462%0.617SS.*THydrogen-bonded Turntrans-66.3-25.6-179.726.1-32.4000112.9F11 H15 S16F11-P13 HydrophobicContact CD1-CB 4.49Å; F11-P13 HydrophobicContact CE1-CB 3.83Å; F11-P13 HydrophobicContact CZ-CB 4.48Å; P13-H15 VanDerWaalsContact C-N 3.32Å; P13-H15 PolarHBondContact O-N 3.26Å; P13-S16 PolarHBondContact O-OG 3.16Å; P13-S16 VanDerWaalsContact O-OG 3.09Å
14T90.2Very high81.1Confident76 Ų76102.3 Ų102.347%0.46658%0.577SS.*Hα-helixtrans-79.2-14.3-172.170.30000113.9D12 S16 D17 T18D12-T14 PolarHBondContact O-N 3.49Å; D12-T14 WeakPolarHBondContact OD1-CB 3.48Å; D12-T14 PolarHBondContact OD1-N 3.24Å; D12-T14 PolarHBondContact OD1-OG1 2.6Å; D12-T14 PolarHBondContact OD2-OG1 2.77Å; T14-S16 VanDerWaalsContact C-N 3.27Å; T14-S16 PolarHBondContact O-N 3.14Å; T14-D17 PolarHBondContact O-N 3.29Å; T14-T18 PolarHBondContact O-N 3.03Å; T14-T18 VanDerWaalsContact O-N 3.11Å; T14-T18 PolarHBondContact O-OG1 3.37Å
15H90.9Very high83Confident121 Ų121100.5 Ų100.556%0.5656%0.558SS**Hα-helixtrans-60.4-38.7179.1-17864.4000112.1P13 T18 L19P13-H15 VanDerWaalsContact C-N 3.32Å; P13-H15 PolarHBondContact O-N 3.26Å; H15-T18 PolarHBondContact O-N 2.94Å; H15-L19 WeakPolarHBondContact O-CB 3.46Å; H15-L19 PolarHBondContact O-N 3.26Å
16S88.1Confident85Confident72 Ų72100.2 Ų100.250%0.50354%0.542SS..Hα-helixtrans-64.6-44.6-178.963.10000112.7P13 T14 L19 L20P13-S16 PolarHBondContact O-OG 3.16Å; P13-S16 VanDerWaalsContact O-OG 3.09Å; T14-S16 VanDerWaalsContact C-N 3.27Å; T14-S16 PolarHBondContact O-N 3.14Å; S16-L19 PolarHBondContact O-N 3.25Å; S16-L20 WeakPolarHBondContact O-CB 3.3Å; S16-L20 PolarHBondContact O-N 3.21Å
17D88.9Confident86.8Confident111 Ų11194.6 Ų94.659%0.59451%0.509SS*.Hα-helixtrans-65-42.1176.4-64.1-36.6000111.5T14 L20 H21T14-D17 PolarHBondContact O-N 3.29Å; D17-L20 PolarHBondContact O-N 3.3Å; D17-H21 WeakPolarHBondContact O-CB 3.42Å; D17-H21 PolarHBondContact O-N 3.08Å
18T90.7Very high88.2Confident94 Ų9491.3 Ų91.358%0.57750%0.496SS*.Hα-helixtrans-64-42.3177.9-55.20000111.4T14 H15 H21 G22T14-T18 PolarHBondContact O-N 3.03Å; T14-T18 VanDerWaalsContact O-N 3.11Å; T14-T18 PolarHBondContact O-OG1 3.37Å; H15-T18 PolarHBondContact O-N 2.94Å; T18-H21 PolarHBondContact O-N 2.88Å; T18-G22 PolarHBondContact O-N 3.3Å
19L92.8Very high89.6Confident96 Ų9692.3 Ų92.350%0.50349%0.49SS..Hα-helixtrans-63.2-47.9176.217863.9000111.3H15 S16 H21 G22 L23H15-L19 WeakPolarHBondContact O-CB 3.46Å; H15-L19 PolarHBondContact O-N 3.26Å; S16-L19 PolarHBondContact O-N 3.25Å; L19-H21 VanDerWaalsContact C-N 3.34Å; L19-H21 PolarHBondContact O-N 3.38Å; L19-G22 PolarHBondContact O-N 3.5Å; L19-L23 HydrophobicContact CG-CD1 4.27Å; L19-L23 WeakPolarHBondContact O-CG 3.23Å; L19-L23 PolarHBondContact O-N 3.29Å
20L93.4Very high90.5Very high43 Ų4392.1 Ų92.123%0.22548%0.475CS..Hα-helixtrans-62.1-42.4178.9-176.162.9000111.5S16 D17 G22 L23 N24 A122S16-L20 WeakPolarHBondContact O-CB 3.3Å; S16-L20 PolarHBondContact O-N 3.21Å; D17-L20 PolarHBondContact O-N 3.3Å; L20-G22 VanDerWaalsContact C-N 3.32Å; L20-G22 PolarHBondContact O-N 2.81Å; L20-L23 PolarHBondContact O-N 3.17Å; L20-N24 WeakPolarHBondContact O-CB 3.16Å; L20-N24 PolarHBondContact O-N 2.91Å; L20-A122 HydrophobicContact CD2-CB 3.59Å
21H92.3Very high91Very high114 Ų11489.5 Ų89.553%0.52846%0.456SS..Hα-helixtrans-58.7-44173.9-175.778.2000112D17 T18 L19 N24 L25D17-H21 WeakPolarHBondContact O-CB 3.42Å; D17-H21 PolarHBondContact O-N 3.08Å; T18-H21 PolarHBondContact O-N 2.88Å; L19-H21 VanDerWaalsContact C-N 3.34Å; L19-H21 PolarHBondContact O-N 3.38Å; H21-N24 WeakPolarHBondContact O-CB 3.25Å; H21-N24 PolarHBondContact O-N 2.91Å; H21-L25 WeakPolarHBondContact O-CG 3.34Å; H21-L25 PolarHBondContact O-N 2.94Å
22G93.2Very high91.4Very high29 Ų2988.8 Ų88.830%0.29945%0.453SS..Hα-helixtrans-59.4-47.6173.900000112.7T18 L19 L20 N24 L25 L26T18-G22 PolarHBondContact O-N 3.3Å; L19-G22 PolarHBondContact O-N 3.5Å; L20-G22 VanDerWaalsContact C-N 3.32Å; L20-G22 PolarHBondContact O-N 2.81Å; G22-N24 VanDerWaalsContact C-N 3.33Å; G22-N24 PolarHBondContact O-N 3.4Å; G22-L25 PolarHBondContact O-N 2.92Å; G22-L26 WeakPolarHBondContact O-CG 3.1Å; G22-L26 PolarHBondContact O-N 2.97Å
23L93.8Very high91.5Very high46 Ų4686 Ų8624%0.24144%0.44CS..Hα-helixtrans-61.4-39.9177.7-70.5171.4000112.2L19 L20 L26 W27 V50 Y120L19-L23 HydrophobicContact CG-CD1 4.27Å; L19-L23 WeakPolarHBondContact O-CG 3.23Å; L19-L23 PolarHBondContact O-N 3.29Å; L20-L23 PolarHBondContact O-N 3.17Å; L23-L26 PolarHBondContact O-N 3.4Å; L23-W27 WeakPolarHBondContact O-CB 3.34Å; L23-W27 PolarHBondContact O-N 2.88Å; L23-V50 HydrophobicContact CD1-CG2 4.07Å; L23-V50 HydrophobicContact CD2-CG2 4.01Å; L23-Y120 HydrophobicContact CB-CD1 4.22Å; L23-Y120 HydrophobicContact CB-CE1 4.46Å
24N93.7Very high91.9Very high21 Ų2185.9 Ų85.911%0.11244%0.435CS..Hα-helixtrans-61-46.1174.5-169.3-0.5000112.2L20 H21 G22 L26 W27 R28 Y120L20-N24 WeakPolarHBondContact O-CB 3.16Å; L20-N24 PolarHBondContact O-N 2.91Å; H21-N24 WeakPolarHBondContact O-CB 3.25Å; H21-N24 PolarHBondContact O-N 2.91Å; G22-N24 VanDerWaalsContact C-N 3.33Å; G22-N24 PolarHBondContact O-N 3.4Å; N24-L26 VanDerWaalsContact C-N 3.33Å; N24-L26 PolarHBondContact O-N 3.47Å; N24-W27 PolarHBondContact O-N 3.11Å; N24-R28 WeakPolarHBondContact O-CG 3.12Å; N24-R28 PolarHBondContact O-N 3.46Å; N24-R28 PolarHBondContact OD1-NE 3.47Å; N24-R28 VanDerWaalsContact OD1-NE 3.13Å; N24-Y120 VanDerWaalsContact CB-O 3.26Å; N24-Y120 WeakPolarHBondContact CB-O 3.49Å
25L93.4Very high92Very high82 Ų8282.4 Ų82.443%0.42941%0.414SS..Hα-helixtrans-61.3-41.8178-74.6172.9000111.9H21 G22 K29H21-L25 WeakPolarHBondContact O-CG 3.34Å; H21-L25 PolarHBondContact O-N 2.94Å; G22-L25 PolarHBondContact O-N 2.92Å; L25-K29 WeakPolarHBondContact O-CB 3.45Å; L25-K29 WeakPolarHBondContact O-CG 3.46Å; L25-K29 PolarHBondContact O-N 2.91Å
26L94.3Very high92.1Very high55 Ų5577.3 Ų77.329%0.28839%0.391SS..Hα-helixtrans-63.4-44.8175.6-66.7178.1000111.2G22 L23 N24 K29 Q30 L31 F32G22-L26 WeakPolarHBondContact O-CG 3.1Å; G22-L26 PolarHBondContact O-N 2.97Å; L23-L26 PolarHBondContact O-N 3.4Å; N24-L26 VanDerWaalsContact C-N 3.33Å; N24-L26 PolarHBondContact O-N 3.47Å; L26-K29 CarbonylContact O-C 3.57Å; L26-K29 PolarHBondContact O-N 3.45Å; L26-Q30 PolarHBondContact O-N 3.32Å; L26-L31 HydrophobicContact CD2-CB 4.05Å; L26-L31 HydrophobicContact CD2-CD1 4.23Å; L26-L31 PolarHBondContact O-N 3.26Å; L26-F32 HydrophobicContact CD1-CD2 4.16Å; L26-F32 HydrophobicContact CD2-CD2 3.87Å; L26-F32 HydrophobicContact CD2-CE2 3.94Å
27W94.8Very high92.3Very high38 Ų3873.9 Ų73.914%0.14437%0.367CS..Hα-helixtrans-62.3-47.4178.8-179.356.3000112.7L23 N24 K29 Q30 H45 L116 E117 Y120L23-W27 WeakPolarHBondContact O-CB 3.34Å; L23-W27 PolarHBondContact O-N 2.88Å; N24-W27 PolarHBondContact O-N 3.11Å; W27-K29 VanDerWaalsContact C-N 3.25Å; W27-K29 PolarHBondContact O-N 3.07Å; W27-Q30 WeakPolarHBondContact O-CA 3.5Å; W27-Q30 PolarHBondContact O-N 3.07Å; W27-H45 PolarHBondContact NE1-O 2.96Å; W27-L116 HydrophobicContact CH2-CB 4.23Å; W27-L116 HydrophobicContact CZ2-CB 3.87Å; W27-E117 HydrophobicContact CH2-CG 3.9Å; W27-E117 HydrophobicContact CZ3-CG 4.2Å; W27-Y120 HydrophobicContact CB-CD1 3.61Å; W27-Y120 HydrophobicContact CB-CD2 4.2Å; W27-Y120 HydrophobicContact CB-CE1 3.66Å; W27-Y120 HydrophobicContact CB-CE2 4.25Å; W27-Y120 HydrophobicContact CB-CG 3.9Å; W27-Y120 AromaticContact CD1-CD2 3.98Å; W27-Y120 AromaticContact CD1-CE2 3.56Å; W27-Y120 AromaticContact CD1-CZ 3.75Å; W27-Y120 HydrophobicContact CD2-CD1 4.32Å; W27-Y120 AromaticContact CD2-CD2 3.34Å; W27-Y120 HydrophobicContact CD2-CD2 3.34Å; W27-Y120 AromaticContact CD2-CE2 3.77Å; W27-Y120 HydrophobicContact CD2-CE2 3.77Å; W27-Y120 AromaticContact CD2-CG 3.68Å; W27-Y120 HydrophobicContact CD2-CG 3.68Å; W27-Y120 AromaticContact CE2-CD2 3.67Å; W27-Y120 AromaticContact CE2-CE2 3.84Å; W27-Y120 AromaticContact CE3-CD2 3.67Å; W27-Y120 HydrophobicContact CE3-CD2 3.67Å; W27-Y120 AromaticContact CE3-CG 3.7Å; W27-Y120 HydrophobicContact CE3-CG 3.7Å; W27-Y120 AromaticContact CG-CD1 3.93Å; W27-Y120 HydrophobicContact CG-CD1 3.93Å; W27-Y120 AromaticContact CG-CD2 3.58Å; W27-Y120 HydrophobicContact CG-CD2 3.58Å; W27-Y120 AromaticContact CG-CE1 3.93Å; W27-Y120 HydrophobicContact CG-CE1 3.93Å; W27-Y120 AromaticContact CG-CE2 3.59Å; W27-Y120 HydrophobicContact CG-CE2 3.59Å; W27-Y120 AromaticContact CG-CG 3.77Å; W27-Y120 HydrophobicContact CG-CG 3.77Å; W27-Y120 AromaticContact CG-CZ 3.78Å; W27-Y120 HydrophobicContact CH2-CD2 4.5Å; W27-Y120 HydrophobicContact CZ2-CD2 4.25Å; W27-Y120 HydrophobicContact CZ3-CD2 4.23Å; W27-Y120 HydrophobicContact CZ3-CG 4.47Å; W27-Y120 AromaticContact NE1-CE2 3.69Å
28R92.1Very high92.2Very high181 Ų18169.7 Ų69.768%0.68335%0.346SS*.Hα-helixtrans-61.5-32.7177.1-72.9-177.6179.1-158.4-5.3113.2N24 Q30N24-R28 WeakPolarHBondContact O-CG 3.12Å; N24-R28 PolarHBondContact O-N 3.46Å; N24-R28 PolarHBondContact OD1-NE 3.47Å; N24-R28 VanDerWaalsContact OD1-NE 3.13Å; R28-Q30 VanDerWaalsContact C-N 3.32Å
29K92.9Very high92Very high151 Ų15165.3 Ų65.366%0.65732%0.319SS*.THydrogen-bonded Turntrans-87.1-1175.2-67.2-176.2176.6-176.40113.3L25 L26 W27 L31L25-K29 WeakPolarHBondContact O-CB 3.45Å; L25-K29 WeakPolarHBondContact O-CG 3.46Å; L25-K29 PolarHBondContact O-N 2.91Å; L26-K29 CarbonylContact O-C 3.57Å; L26-K29 PolarHBondContact O-N 3.45Å; W27-K29 VanDerWaalsContact C-N 3.25Å; W27-K29 PolarHBondContact O-N 3.07Å; K29-L31 HydrophobicContact CB-CD1 3.88Å; K29-L31 HydrophobicContact CB-CG 3.8Å; K29-L31 HydrophobicContact CD-CD1 4.06Å; K29-L31 PolarHBondContact O-N 2.91Å
30Q92Very high91.6Very high120 Ų12067.6 Ų67.656%0.56133%0.327SS*.THydrogen-bonded Turntrans52.432.2-174.3-57.3-1796.900113.3L26 W27 R28 H45L26-Q30 PolarHBondContact O-N 3.32Å; W27-Q30 WeakPolarHBondContact O-CA 3.5Å; W27-Q30 PolarHBondContact O-N 3.07Å; R28-Q30 VanDerWaalsContact C-N 3.32Å; Q30-H45 HydrophobicContact CG-CB 4.34Å; Q30-H45 PolarHBondContact OE1-ND1 3.34Å
31L89.1Confident90.9Very high81 Ų8168.9 Ų68.942%0.42435%0.351SS..  trans-86137.7177.5-65.6174.3000109.4L26 K29 C33 H47L26-L31 HydrophobicContact CD2-CB 4.05Å; L26-L31 HydrophobicContact CD2-CD1 4.23Å; L26-L31 PolarHBondContact O-N 3.26Å; K29-L31 HydrophobicContact CB-CD1 3.88Å; K29-L31 HydrophobicContact CB-CG 3.8Å; K29-L31 HydrophobicContact CD-CD1 4.06Å; K29-L31 PolarHBondContact O-N 2.91Å; L31-C33 PolarHBondContact O-N 3.05Å; L31-C33 VanDerWaalsContact O-N 3.1Å; L31-H47 PolarHBondContact O-NE2 3.29Å
32F90.7Very high90.8Very high165 Ų16567.2 Ų67.272%0.72434%0.343SS*.SBendtrans59.214.6178.8-47.4-69.9000115.9L26 D34 H47L26-F32 HydrophobicContact CD1-CD2 4.16Å; L26-F32 HydrophobicContact CD2-CD2 3.87Å; L26-F32 HydrophobicContact CD2-CE2 3.94Å; F32-D34 PolarHBondContact O-N 2.99Å; F32-H47 PolarHBondContact O-CD2 3.32Å
33C90.6Very high90.8Very high34 Ų3471.7 Ų71.723%0.2336%0.356CS..  trans-68.2123.9171.1-66.30000109.7L31 H45 C46L31-C33 PolarHBondContact O-N 3.05Å; L31-C33 VanDerWaalsContact O-N 3.1Å; C33-H45 HydrophobicContact CB-CB 3.93Å; C33-C46 CarbonylContact C-O 3.59Å; C33-C46 VanDerWaalsContact CA-O 3.27Å; C33-C46 WeakPolarHBondContact CA-O 3.5Å; C33-C46 WeakPolarHBondContact CB-O 3.44Å
34D92.3Very high90.8Very high73 Ų7370.4 Ų70.439%0.3935%0.349SS..  trans-118.48.7-171.861.2-14.5000112.5F32 C46 H47 K48F32-D34 PolarHBondContact O-N 2.99Å; D34-C46 PolarHBondContact N-O 3.19Å; D34-C46 VanDerWaalsContact N-O 3.08Å; D34-H47 VanDerWaalsContact OD1-CA 3.31Å; D34-H47 WeakPolarHBondContact OD1-CA 3.4Å; D34-K48 WeakPolarHBondContact O-CE 3.3Å; D34-K48 PolarHBondContact O-NZ 3.28Å; D34-K48 WeakPolarHBondContact OD1-CG 3.45Å; D34-K48 PolarHBondContact OD1-N 3.15Å
35V92.3Very high90.8Very high3 Ų372.4 Ų72.42%0.01836%0.357CS..EExtended strand (participates in β ladder)trans-149.2143.7171.5650000111.7L37 C46 K48 L51 N100 L102V35-L37 HydrophobicContact CG2-CD2 4.2Å; V35-C46 HydrophobicContact CG1-CB 3.99Å; V35-C46 WeakPolarHBondContact CG1-O 3.36Å; V35-C46 PolarHBondContact N-O 2.94Å; V35-C46 PolarHBondContact O-N 3.22Å; V35-K48 HydrophobicContact CB-CD 4.49Å; V35-K48 HydrophobicContact CB-CG 3.81Å; V35-K48 HydrophobicContact CG1-CG 3.79Å; V35-L51 HydrophobicContact CG1-CD1 3.83Å; V35-N100 CarbonylContact C-O 3.57Å; V35-N100 WeakPolarHBondContact CA-O 3.38Å; V35-L102 HydrophobicContact CG2-CD1 3.96Å; V35-L102 HydrophobicContact CG2-CG 4.39Å
36T92.3Very high90.9Very high15 Ų1568.5 Ų68.59%0.09234%0.337CS..EExtended strand (participates in β ladder)trans-113.3119.5171.8-55.20000109.3Q43 F44 H45 N100 N101 L102T36-Q43 HydrophobicContact CG2-CB 3.95Å; T36-Q43 HydrophobicContact CG2-CG 4.24Å; T36-F44 WeakPolarHBondContact CA-O 3.37Å; T36-H45 PolarHBondContact OG1-CD2 3.28Å; T36-H45 VanDerWaalsContact OG1-CD2 3.22Å; T36-N100 PolarHBondContact N-O 3.02Å; T36-N101 WeakPolarHBondContact CB-OD1 3.21Å; T36-N101 WeakPolarHBondContact O-CA 3.33Å; T36-L102 PolarHBondContact O-N 2.91Å
37L91.9Very high90.9Very high0 Ų066.7 Ų66.70%033%0.327CS..EExtended strand (participates in β ladder)trans-93136.2172.7-54-179.6000109.3V35 Q43 F44 L51 F58 L102 L104 L112 L116V35-L37 HydrophobicContact CG2-CD2 4.2Å; L37-Q43 CarbonylContact O-C 3.56Å; L37-Q43 WeakPolarHBondContact O-CA 3.45Å; L37-F44 HydrophobicContact CB-CB 4.4Å; L37-F44 PolarHBondContact N-O 2.98Å; L37-F44 PolarHBondContact O-N 3.4Å; L37-L51 HydrophobicContact CD1-CD1 3.95Å; L37-L51 HydrophobicContact CD1-CD2 4.5Å; L37-L51 HydrophobicContact CD2-CD1 4.33Å; L37-L51 HydrophobicContact CG-CD1 4.39Å; L37-F58 HydrophobicContact CD1-CZ 3.86Å; L37-F58 HydrophobicContact CD2-CE1 3.97Å; L37-F58 HydrophobicContact CD2-CZ 4.12Å; L37-L102 CarbonylContact C-O 3.48Å; L37-L102 WeakPolarHBondContact CA-O 3.44Å; L37-L102 HydrophobicContact CD2-CB 3.85Å; L37-L102 HydrophobicContact CD2-CD1 3.87Å; L37-L102 HydrophobicContact CD2-CG 4.49Å; L37-L104 HydrophobicContact CB-CD1 4.28Å; L37-L104 HydrophobicContact CD1-CD1 4.17Å; L37-L104 HydrophobicContact CD2-CD1 4.42Å; L37-L112 HydrophobicContact CB-CD2 4.28Å; L37-L112 HydrophobicContact CD1-CD1 4.41Å; L37-L116 HydrophobicContact CD1-CD2 4.28Å
38T88.4Confident90.8Very high23 Ų2367 Ų6714%0.14133%0.329CS..EExtended strand (participates in β ladder)trans-119.6123.8175.5-53.20000109.7Q42 Q43 L102 V103 L104T38-Q42 VanDerWaalsContact CA-O 3.28Å; T38-Q42 WeakPolarHBondContact CA-O 3.48Å; T38-Q43 HydrophobicContact CG2-CG 4.4Å; T38-L102 PolarHBondContact N-O 3.44Å; T38-V103 WeakPolarHBondContact O-CA 3.49Å; T38-L104 PolarHBondContact O-N 3.12Å
39A86.3Confident90.7Very high1 Ų161.9 Ų61.91%0.00833%0.326CS..EExtended strand (participates in β ladder)trans-134.1128.1174.900000109.3G41 Q42 C107 L112A39-G41 PolarHBondContact O-N 3.04Å; A39-G41 VanDerWaalsContact O-N 3.13Å; A39-Q42 PolarHBondContact N-O 3.29Å; A39-Q42 PolarHBondContact O-N 3.13Å; A39-C107 HydrophobicContact CB-CB 4.19Å; A39-L112 HydrophobicContact CB-CB 4.49Å; A39-L112 HydrophobicContact CB-CD2 3.63Å
40Q84.6Confident90.8Very high144 Ų14455.2 Ų55.267%0.67330%0.298SS*.THydrogen-bonded Turntrans46.840.8-175.2-65.5177.1-33.800113.5Q42 S109Q40-Q42 PolarHBondContact O-N 3.25Å; Q40-S109 VanDerWaalsContact OE1-N 3.1Å; Q40-S109 PolarHBondContact OE1-OG 3.23Å
41G79.1Confident90.8Very high70 Ų7049.5 Ų49.572%0.72227%0.271SS*.THydrogen-bonded Turntrans77.9-6.3-179.300000115.9A39A39-G41 PolarHBondContact O-N 3.04Å; A39-G41 VanDerWaalsContact O-N 3.13Å
42Q89.7Confident90.9Very high79 Ų7946.7 Ų46.737%0.36926%0.259SS..EExtended strand (participates in β ladder)trans-90.9134.1175.7-172.3168.26.800111.5T38 A39 Q40 F44T38-Q42 VanDerWaalsContact CA-O 3.28Å; T38-Q42 WeakPolarHBondContact CA-O 3.48Å; A39-Q42 PolarHBondContact N-O 3.29Å; A39-Q42 PolarHBondContact O-N 3.13Å; Q40-Q42 PolarHBondContact O-N 3.25Å; Q42-F44 HydrophobicContact CB-CE2 3.95Å; Q42-F44 HydrophobicContact CB-CZ 4.19Å; Q42-F44 HydrophobicContact CG-CE1 4.35Å; Q42-F44 HydrophobicContact CG-CE2 3.79Å; Q42-F44 HydrophobicContact CG-CZ 3.66Å; Q42-F44 WeakPolarHBondContact O-CE2 3.45Å
43Q92.1Very high90.9Very high123 Ų12342.2 Ų42.258%0.57525%0.249SC*.EExtended strand (participates in β ladder)trans-100.8139.8-178.1-66.4-176.4-11.600112.7T36 L37 T38T36-Q43 HydrophobicContact CG2-CB 3.95Å; T36-Q43 HydrophobicContact CG2-CG 4.24Å; L37-Q43 CarbonylContact O-C 3.56Å; L37-Q43 WeakPolarHBondContact O-CA 3.45Å; T38-Q43 HydrophobicContact CG2-CG 4.4Å
44F94.1Very high90.9Very high19 Ų1943 Ų438%0.08325%0.254CS..EExtended strand (participates in β ladder)trans-132.4113.8-179.3-57.1-91.1000110.6T36 L37 Q42 S109 L112 R113 L116T36-F44 WeakPolarHBondContact CA-O 3.37Å; L37-F44 HydrophobicContact CB-CB 4.4Å; L37-F44 PolarHBondContact N-O 2.98Å; L37-F44 PolarHBondContact O-N 3.4Å; Q42-F44 HydrophobicContact CB-CE2 3.95Å; Q42-F44 HydrophobicContact CB-CZ 4.19Å; Q42-F44 HydrophobicContact CG-CE1 4.35Å; Q42-F44 HydrophobicContact CG-CE2 3.79Å; Q42-F44 HydrophobicContact CG-CZ 3.66Å; Q42-F44 WeakPolarHBondContact O-CE2 3.45Å; F44-S109 WeakPolarHBondContact CZ-O 3.37Å; F44-L112 HydrophobicContact CD2-CD2 3.69Å; F44-L112 HydrophobicContact CD2-CG 4.38Å; F44-L112 HydrophobicContact CE2-CD2 3.87Å; F44-L112 HydrophobicContact CE2-CG 4.42Å; F44-L112 HydrophobicContact CG-CD2 4.43Å; F44-R113 HydrophobicContact CE1-CB 3.8Å; F44-R113 HydrophobicContact CE1-CG 4.26Å; F44-R113 HydrophobicContact CZ-CB 4.24Å; F44-L116 HydrophobicContact CB-CD1 3.66Å; F44-L116 HydrophobicContact CD1-CD1 3.89Å; F44-L116 HydrophobicContact CG-CD1 3.84Å
45H94.5Very high90.9Very high64 Ų6439.5 Ų39.530%0.29624%0.235SC..EExtended strand (participates in β ladder)trans-81.2125.2176.2-59.194.6000110W27 Q30 C33 T36W27-H45 PolarHBondContact NE1-O 2.96Å; Q30-H45 HydrophobicContact CG-CB 4.34Å; Q30-H45 PolarHBondContact OE1-ND1 3.34Å; C33-H45 HydrophobicContact CB-CB 3.93Å; T36-H45 PolarHBondContact OG1-CD2 3.28Å; T36-H45 VanDerWaalsContact OG1-CD2 3.22Å
46C95.1Very high90.6Very high0 Ų044.7 Ų44.70%026%0.259CS..EExtended strand (participates in β ladder)trans-138.9170.2-171.2-58.80000111.6C33 D34 V35 L51C33-C46 CarbonylContact C-O 3.59Å; C33-C46 VanDerWaalsContact CA-O 3.27Å; C33-C46 WeakPolarHBondContact CA-O 3.5Å; C33-C46 WeakPolarHBondContact CB-O 3.44Å; D34-C46 PolarHBondContact N-O 3.19Å; D34-C46 VanDerWaalsContact N-O 3.08Å; V35-C46 HydrophobicContact CG1-CB 3.99Å; V35-C46 WeakPolarHBondContact CG1-O 3.36Å; V35-C46 PolarHBondContact N-O 2.94Å; V35-C46 PolarHBondContact O-N 3.22Å; C46-L51 HydrophobicContact CB-CD1 3.88Å; C46-L51 HydrophobicContact CB-CD2 4.48Å; C46-L51 HydrophobicContact CB-CG 4.25Å
47H94.9Very high90.4Very high16 Ų1648.3 Ų48.37%0.07427%0.272CS..  trans-103.7121.4175-54.687.4000110.3L31 F32 D34 A49 V50 L51 Y120L31-H47 PolarHBondContact O-NE2 3.29Å; F32-H47 PolarHBondContact O-CD2 3.32Å; D34-H47 VanDerWaalsContact OD1-CA 3.31Å; D34-H47 WeakPolarHBondContact OD1-CA 3.4Å; H47-A49 PolarHBondContact O-N 3.08Å; H47-V50 HydrophobicContact CB-CB 4.22Å; H47-V50 HydrophobicContact CB-CG2 3.92Å; H47-V50 PolarHBondContact O-N 2.98Å; H47-V50 VanDerWaalsContact O-N 3.09Å; H47-L51 WeakPolarHBondContact O-CG 3.29Å; H47-L51 PolarHBondContact O-N 3.05Å; H47-Y120 WeakPolarHBondContact CB-OH 3.44Å; H47-Y120 PolarHBondContact N-OH 2.8Å; H47-Y120 AromaticContact ND1-CE1 3.54Å; H47-Y120 AromaticContact ND1-CZ 3.54Å; H47-Y120 PolarHBondContact ND1-OH 3.25Å
48K91.8Very high90.3Very high44 Ų4448.3 Ų48.319%0.19127%0.272CS..Hα-helixtrans-53.3-41.4178.1-72.5176.2176.1164.40111.8D34 V35 V50 L51 A52 F62 I99 N100D34-K48 WeakPolarHBondContact O-CE 3.3Å; D34-K48 PolarHBondContact O-NZ 3.28Å; D34-K48 WeakPolarHBondContact OD1-CG 3.45Å; D34-K48 PolarHBondContact OD1-N 3.15Å; V35-K48 HydrophobicContact CB-CD 4.49Å; V35-K48 HydrophobicContact CB-CG 3.81Å; V35-K48 HydrophobicContact CG1-CG 3.79Å; K48-V50 PolarHBondContact O-N 3.44Å; K48-L51 PolarHBondContact O-N 2.88Å; K48-A52 VanDerWaalsContact O-CB 3.23Å; K48-A52 WeakPolarHBondContact O-CB 3.43Å; K48-A52 PolarHBondContact O-N 3.4Å; K48-F62 HydrophobicContact CB-CD2 4.17Å; K48-F62 HydrophobicContact CB-CE2 3.96Å; K48-F62 HydrophobicContact CB-CZ 4.37Å; K48-F62 HydrophobicContact CG-CD2 4.41Å; K48-F62 HydrophobicContact CG-CE1 4.18Å; K48-F62 HydrophobicContact CG-CE2 4.01Å; K48-F62 HydrophobicContact CG-CZ 3.9Å; K48-I99 WeakPolarHBondContact CE-O 3.4Å; K48-I99 PolarHBondContact NZ-O 2.79Å; K48-N100 PolarHBondContact NZ-OD1 3.4Å
49A91.1Very high90.3Very high74 Ų7453 Ų5361%0.61229%0.287SS*.Hα-helixtrans-61.5-40.9179.900000112.8H47 S53H47-A49 PolarHBondContact O-N 3.08Å; A49-S53 WeakPolarHBondContact O-CB 3.25Å; A49-S53 PolarHBondContact O-N 2.92Å; A49-S53 PolarHBondContact O-OG 3.31Å
50V93.4Very high90.3Very high11 Ų1156.1 Ų56.17%0.06731%0.309CS..Hα-helixtrans-72.3-42178.51790000110.7L23 H47 K48 S53 C54 L119 Y120L23-V50 HydrophobicContact CD1-CG2 4.07Å; L23-V50 HydrophobicContact CD2-CG2 4.01Å; H47-V50 HydrophobicContact CB-CB 4.22Å; H47-V50 HydrophobicContact CB-CG2 3.92Å; H47-V50 PolarHBondContact O-N 2.98Å; H47-V50 VanDerWaalsContact O-N 3.09Å; K48-V50 PolarHBondContact O-N 3.44Å; V50-S53 PolarHBondContact O-N 2.93Å; V50-S53 PolarHBondContact O-OG 3.36Å; V50-C54 PolarHBondContact O-N 2.89Å; V50-L119 HydrophobicContact CG1-CB 4.41Å; V50-Y120 HydrophobicContact CB-CE1 4.09Å; V50-Y120 HydrophobicContact CG1-CD1 4.33Å; V50-Y120 HydrophobicContact CG1-CE1 3.8Å; V50-Y120 HydrophobicContact CG1-CE2 4.35Å; V50-Y120 HydrophobicContact CG2-CE1 3.88Å
51L92.9Very high90.3Very high0 Ų051 Ų510%029%0.286CS..Hα-helixtrans-62-46.8175.6-65.6-178.5000111.4V35 L37 C46 H47 K48 S53 C54 S55 F58 F62 L116 L119V35-L51 HydrophobicContact CG1-CD1 3.83Å; L37-L51 HydrophobicContact CD1-CD1 3.95Å; L37-L51 HydrophobicContact CD1-CD2 4.5Å; L37-L51 HydrophobicContact CD2-CD1 4.33Å; L37-L51 HydrophobicContact CG-CD1 4.39Å; C46-L51 HydrophobicContact CB-CD1 3.88Å; C46-L51 HydrophobicContact CB-CD2 4.48Å; C46-L51 HydrophobicContact CB-CG 4.25Å; H47-L51 WeakPolarHBondContact O-CG 3.29Å; H47-L51 PolarHBondContact O-N 3.05Å; K48-L51 PolarHBondContact O-N 2.88Å; L51-S53 VanDerWaalsContact C-N 3.32Å; L51-S53 PolarHBondContact O-N 2.59Å; L51-C54 PolarHBondContact O-N 2.94Å; L51-S55 WeakPolarHBondContact O-CB 3.31Å; L51-S55 PolarHBondContact O-N 3.16Å; L51-F58 HydrophobicContact CB-CB 4.03Å; L51-F58 HydrophobicContact CB-CD2 3.72Å; L51-F58 HydrophobicContact CB-CE2 4.33Å; L51-F58 HydrophobicContact CB-CG 3.89Å; L51-F58 HydrophobicContact CD1-CD1 4.47Å; L51-F58 HydrophobicContact CD1-CD2 4.36Å; L51-F58 HydrophobicContact CD1-CE1 4.39Å; L51-F58 HydrophobicContact CD1-CE2 4.26Å; L51-F58 HydrophobicContact CD1-CG 4.48Å; L51-F58 HydrophobicContact CD1-CZ 4.29Å; L51-F58 HydrophobicContact CD2-CD2 4.19Å; L51-F58 HydrophobicContact CD2-CE2 4.01Å; L51-F58 HydrophobicContact CG-CD2 4.31Å; L51-F58 HydrophobicContact CG-CE2 4.43Å; L51-F62 HydrophobicContact CB-CE2 4.09Å; L51-F62 HydrophobicContact CD1-CE2 4.47Å; L51-F62 HydrophobicContact CD1-CZ 4.38Å; L51-L116 HydrophobicContact CD2-CD2 3.73Å; L51-L119 HydrophobicContact CD2-CD1 3.64Å
52A91.3Very high90.6Very high22 Ų2249 Ų4918%0.18226%0.258CS..Hα-helixtrans-67.5-27.9179.800000113.7K48 R59 F62K48-A52 VanDerWaalsContact O-CB 3.23Å; K48-A52 WeakPolarHBondContact O-CB 3.43Å; K48-A52 PolarHBondContact O-N 3.4Å; A52-R59 VanDerWaalsContact O-CZ 3.24Å; A52-R59 PolarHBondContact O-NE 2.72Å; A52-R59 PolarHBondContact O-NH2 3.34Å; A52-F62 HydrophobicContact CB-CD2 4.12Å
53S90.9Very high90.1Very high72 Ų7248 Ų4850%0.50326%0.259SS..Hα-helixtrans-74.2-33.6178.166.20000111.7A49 V50 L51 R59A49-S53 WeakPolarHBondContact O-CB 3.25Å; A49-S53 PolarHBondContact O-N 2.92Å; A49-S53 PolarHBondContact O-OG 3.31Å; V50-S53 PolarHBondContact O-N 2.93Å; V50-S53 PolarHBondContact O-OG 3.36Å; L51-S53 VanDerWaalsContact C-N 3.32Å; L51-S53 PolarHBondContact O-N 2.59Å; S53-R59 PolarHBondContact O-NH2 3.5Å
54C89.6Confident88.6Confident50 Ų5045 Ų4534%0.33825%0.252SS..Hα-helixtrans-102.6-14.6-174.3-610000115.2V50 L51 L119V50-C54 PolarHBondContact O-N 2.89Å; L51-C54 PolarHBondContact O-N 2.94Å; C54-L119 HydrophobicContact CB-CD2 3.31Å; C54-L119 HydrophobicContact CB-CG 4.49Å
55S92Very high86.8Confident0 Ų049.4 Ų49.40%027%0.272CS..  trans-128.8125.6-177162.50000111.5L51 Y57 F58 R59 L141L51-S55 WeakPolarHBondContact O-CB 3.31Å; L51-S55 PolarHBondContact O-N 3.16Å; S55-Y57 VanDerWaalsContact C-N 3.3Å; S55-Y57 PolarHBondContact OG-N 3.34Å; S55-F58 WeakPolarHBondContact OG-CD2 3.33Å; S55-F58 PolarHBondContact OG-N 3.26Å; S55-F58 VanDerWaalsContact OG-N 3.12Å; S55-R59 WeakPolarHBondContact O-CB 3.39Å; S55-R59 PolarHBondContact O-N 3.01Å; S55-L141 WeakPolarHBondContact CB-O 3.19Å; S55-L141 PolarHBondContact OG-O 3.2Å
56Q86.9Confident84.4Confident111 Ų11152 Ų5252%0.51929%0.288SS..Hα-helixtrans-67.9-33.3174.6-171.3175.34.100111.6R59 S60 N142Q56-R59 PolarHBondContact O-N 3.17Å; Q56-S60 PolarHBondContact O-N 3.05Å; Q56-S60 PolarHBondContact O-OG 3.27Å; Q56-N142 HydrophobicContact CB-CB 4.49Å; Q56-N142 PolarHBondContact OE1-ND2 3.2Å
57Y87.9Confident81.9Confident91 Ų9156.7 Ų56.736%0.35732%0.317SS..Hα-helixtrans-57.3-54.6174.5172-95.7000111.2S55 R59 S60 L61 L104 L141S55-Y57 VanDerWaalsContact C-N 3.3Å; S55-Y57 PolarHBondContact OG-N 3.34Å; Y57-R59 VanDerWaalsContact C-N 3.33Å; Y57-R59 PolarHBondContact O-N 3.28Å; Y57-S60 PolarHBondContact O-N 3.45Å; Y57-L61 HydrophobicContact CE1-CD2 4.12Å; Y57-L61 WeakPolarHBondContact O-CB 3.37Å; Y57-L61 PolarHBondContact O-N 2.87Å; Y57-L104 HydrophobicContact CE1-CD2 4.19Å; Y57-L141 WeakPolarHBondContact CB-O 3.5Å; Y57-L141 HydrophobicContact CD1-CD2 3.9Å; Y57-L141 HydrophobicContact CE1-CD2 4.16Å
58F90.1Very high79.2Confident0 Ų063.4 Ų63.40%035%0.352CS..Hα-helixtrans-66.8-35.5179.1-73.3-56000112.4L37 L51 S55 L61 F62 L102 L104 L141L37-F58 HydrophobicContact CD1-CZ 3.86Å; L37-F58 HydrophobicContact CD2-CE1 3.97Å; L37-F58 HydrophobicContact CD2-CZ 4.12Å; L51-F58 HydrophobicContact CB-CB 4.03Å; L51-F58 HydrophobicContact CB-CD2 3.72Å; L51-F58 HydrophobicContact CB-CE2 4.33Å; L51-F58 HydrophobicContact CB-CG 3.89Å; L51-F58 HydrophobicContact CD1-CD1 4.47Å; L51-F58 HydrophobicContact CD1-CD2 4.36Å; L51-F58 HydrophobicContact CD1-CE1 4.39Å; L51-F58 HydrophobicContact CD1-CE2 4.26Å; L51-F58 HydrophobicContact CD1-CG 4.48Å; L51-F58 HydrophobicContact CD1-CZ 4.29Å; L51-F58 HydrophobicContact CD2-CD2 4.19Å; L51-F58 HydrophobicContact CD2-CE2 4.01Å; L51-F58 HydrophobicContact CG-CD2 4.31Å; L51-F58 HydrophobicContact CG-CE2 4.43Å; S55-F58 WeakPolarHBondContact OG-CD2 3.33Å; S55-F58 PolarHBondContact OG-N 3.26Å; S55-F58 VanDerWaalsContact OG-N 3.12Å; F58-L61 HydrophobicContact CD1-CD2 4.25Å; F58-L61 PolarHBondContact O-N 3.24Å; F58-F62 HydrophobicContact CB-CD2 4.13Å; F58-F62 HydrophobicContact CB-CE2 3.74Å; F58-F62 HydrophobicContact CB-CZ 4.38Å; F58-F62 HydrophobicContact CD1-CE2 4.06Å; F58-F62 AromaticContact CD1-CZ 3.84Å; F58-F62 HydrophobicContact CD1-CZ 3.84Å; F58-F62 HydrophobicContact CG-CE2 4.17Å; F58-F62 HydrophobicContact CG-CZ 4.41Å; F58-F62 WeakPolarHBondContact O-CB 3.21Å; F58-F62 WeakPolarHBondContact O-CD2 3.42Å; F58-F62 VanDerWaalsContact O-CG 3.24Å; F58-F62 WeakPolarHBondContact O-CG 3.48Å; F58-F62 PolarHBondContact O-N 3.42Å; F58-L102 HydrophobicContact CE1-CD1 4.37Å; F58-L104 HydrophobicContact CE1-CD2 4.41Å; F58-L104 HydrophobicContact CZ-CD1 4.23Å; F58-L104 HydrophobicContact CZ-CD2 4.5Å; F58-L141 HydrophobicContact CE2-CD1 4.02Å; F58-L141 HydrophobicContact CE2-CD2 3.73Å; F58-L141 HydrophobicContact CE2-CG 4.34Å; F58-L141 HydrophobicContact CZ-CD1 4.44Å; F58-L141 HydrophobicContact CZ-CD2 3.69Å
59R88.5Confident76.4Confident122 Ų12265.7 Ų65.746%0.4637%0.373SS..Hα-helixtrans-58.9-49.1175.2-171176.6-60.41435.8111.8A52 S53 S55 Q56 Y57 S63A52-R59 VanDerWaalsContact O-CZ 3.24Å; A52-R59 PolarHBondContact O-NE 2.72Å; A52-R59 PolarHBondContact O-NH2 3.34Å; S53-R59 PolarHBondContact O-NH2 3.5Å; S55-R59 WeakPolarHBondContact O-CB 3.39Å; S55-R59 PolarHBondContact O-N 3.01Å; Q56-R59 PolarHBondContact O-N 3.17Å; Y57-R59 VanDerWaalsContact C-N 3.33Å; Y57-R59 PolarHBondContact O-N 3.28Å; R59-S63 VanDerWaalsContact O-CB 3.24Å; R59-S63 WeakPolarHBondContact O-CB 3.2Å; R59-S63 PolarHBondContact O-N 3.2Å; R59-S63 PolarHBondContact O-OG 3.45Å
60S85.4Confident73.6Confident66 Ų6669.1 Ų69.146%0.46238%0.381SS..Hα-helixtrans-65.7-41.6177.4-62.60000112Q56 Y57 S63 S64Q56-S60 PolarHBondContact O-N 3.05Å; Q56-S60 PolarHBondContact O-OG 3.27Å; Y57-S60 PolarHBondContact O-N 3.45Å; S60-S63 WeakPolarHBondContact CA-OG 3.4Å; S60-S63 PolarHBondContact O-N 3.02Å; S60-S63 PolarHBondContact O-OG 3.27Å; S60-S64 WeakPolarHBondContact O-CB 3.41Å; S60-S64 PolarHBondContact O-N 3.19Å; S60-S64 PolarHBondContact O-OG 3.35Å; S60-S64 VanDerWaalsContact O-OG 3.07Å
61L84.3Confident70.8Confident37 Ų3778.1 Ų78.119%0.19442%0.422CS..Hα-helixtrans-63.1-42.1179.5-17568.3000112.3Y57 F58 S64 H65 L102Y57-L61 HydrophobicContact CE1-CD2 4.12Å; Y57-L61 WeakPolarHBondContact O-CB 3.37Å; Y57-L61 PolarHBondContact O-N 2.87Å; F58-L61 HydrophobicContact CD1-CD2 4.25Å; F58-L61 PolarHBondContact O-N 3.24Å; L61-S64 PolarHBondContact O-OG 3.45Å; L61-H65 PolarHBondContact O-CD2 3.08Å; L61-L102 HydrophobicContact CD2-CD1 3.75Å; L61-L102 HydrophobicContact CD2-CD2 3.97Å
62F85.7Confident67.9Low29 Ų2981.3 Ų81.313%0.12746%0.455CS..Hα-helixtrans-82.3-21.6-180-58.9-37.5000113.2K48 L51 A52 F58 N66 L102K48-F62 HydrophobicContact CB-CD2 4.17Å; K48-F62 HydrophobicContact CB-CE2 3.96Å; K48-F62 HydrophobicContact CB-CZ 4.37Å; K48-F62 HydrophobicContact CG-CD2 4.41Å; K48-F62 HydrophobicContact CG-CE1 4.18Å; K48-F62 HydrophobicContact CG-CE2 4.01Å; K48-F62 HydrophobicContact CG-CZ 3.9Å; L51-F62 HydrophobicContact CB-CE2 4.09Å; L51-F62 HydrophobicContact CD1-CE2 4.47Å; L51-F62 HydrophobicContact CD1-CZ 4.38Å; A52-F62 HydrophobicContact CB-CD2 4.12Å; F58-F62 HydrophobicContact CB-CD2 4.13Å; F58-F62 HydrophobicContact CB-CE2 3.74Å; F58-F62 HydrophobicContact CB-CZ 4.38Å; F58-F62 HydrophobicContact CD1-CE2 4.06Å; F58-F62 AromaticContact CD1-CZ 3.84Å; F58-F62 HydrophobicContact CD1-CZ 3.84Å; F58-F62 HydrophobicContact CG-CE2 4.17Å; F58-F62 HydrophobicContact CG-CZ 4.41Å; F58-F62 WeakPolarHBondContact O-CB 3.21Å; F58-F62 WeakPolarHBondContact O-CD2 3.42Å; F58-F62 VanDerWaalsContact O-CG 3.24Å; F58-F62 WeakPolarHBondContact O-CG 3.48Å; F58-F62 PolarHBondContact O-N 3.42Å; F62-N66 PolarHBondContact O-ND2 3.44Å; F62-L102 HydrophobicContact CE1-CD1 3.84Å; F62-L102 HydrophobicContact CZ-CD1 4.18Å
63S79.2Confident65.1Low56 Ų5686 Ų8639%0.39249%0.487SS..Hα-helixtrans-84.7-39.9177.5670000113R59 S60 H65 N66 V67R59-S63 VanDerWaalsContact O-CB 3.24Å; R59-S63 WeakPolarHBondContact O-CB 3.2Å; R59-S63 PolarHBondContact O-N 3.2Å; R59-S63 PolarHBondContact O-OG 3.45Å; S60-S63 WeakPolarHBondContact CA-OG 3.4Å; S60-S63 PolarHBondContact O-N 3.02Å; S60-S63 PolarHBondContact O-OG 3.27Å; S63-H65 PolarHBondContact O-N 3.06Å; S63-N66 PolarHBondContact O-N 3.42Å; S63-V67 WeakPolarHBondContact O-CG2 3.47Å; S63-V67 PolarHBondContact O-N 2.94Å
64S61.3Low62.2Low62 Ų6292.9 Ų92.943%0.43451%0.508SS..Hα-helixtrans-58.9-34.9-178.259.60000113.1S60 L61 N66S60-S64 WeakPolarHBondContact O-CB 3.41Å; S60-S64 PolarHBondContact O-N 3.19Å; S60-S64 PolarHBondContact O-OG 3.35Å; S60-S64 VanDerWaalsContact O-OG 3.07Å; L61-S64 PolarHBondContact O-OG 3.45Å; S64-N66 VanDerWaalsContact C-N 3.34Å
65H54.8Low59.2Low111 Ų11194.3 Ų94.351%0.51453%0.531SS..THydrogen-bonded Turntrans-80.1-11.5177.3-74.7-67.6000114.6L61 S63 I99L61-H65 PolarHBondContact O-CD2 3.08Å; S63-H65 PolarHBondContact O-N 3.06Å; H65-I99 WeakPolarHBondContact CD2-CD1 3.42Å
66N45.7Very low56.2Low117 Ų117102 Ų10263%0.62657%0.572SS**THydrogen-bonded Turntrans-94.1-11.5175.1-78-34.4000113.3F62 S63 S64 S69F62-N66 PolarHBondContact O-ND2 3.44Å; S63-N66 PolarHBondContact O-N 3.42Å; S64-N66 VanDerWaalsContact C-N 3.34Å; N66-S69 PolarHBondContact O-OG 2.89Å
67V41.1Very low53.5Low100 Ų100105.8 Ų105.861%0.60659%0.59SS**G310 helixtrans-86.5-18.8-174.1174.60000113.2S63 S69S63-V67 WeakPolarHBondContact O-CG2 3.47Å; S63-V67 PolarHBondContact O-N 2.94Å; V67-S69 PolarHBondContact O-N 3.43Å; V67-S69 VanDerWaalsContact O-N 3.1Å
68I38.2Very low50.7Low157 Ų157104.9 Ų104.981%0.80561%0.608SS**G310 helixtrans-69.1-9.4178.2-57.5176.2000112.4
69S34.8Very low47.7Very low91 Ų91110.2 Ų110.264%0.63665%0.646SS**G310 helixtrans-983.4-177.854.50000115.9N66 V67N66-S69 PolarHBondContact O-OG 2.89Å; V67-S69 PolarHBondContact O-N 3.43Å; V67-S69 VanDerWaalsContact O-N 3.1Å
70N31.8Very low44.8Very low147 Ų147110.2 Ų110.279%0.78666%0.664SS**  trans-139.527.5-169.8-106.2-2.4000117.5
71E33.9Very low42.1Very low199 Ų199110.9 Ų110.993%0.9368%0.682SS**  trans-112.190158.6-74.6-162.1167.400110.5
72G32.7Very low39.7Very low67 Ų67116 Ų11669%0.69171%0.714SS**  trans-177.368.6175.700000112.1
73S31.9Very low37.5Very low122 Ų122120.4 Ų120.485%0.85375%0.746SS**  trans172109.6145.2-84.10000112
74K29.4Very low35.1Very low215 Ų215123.1 Ų123.194%0.93577%0.765SS**  trans-170.4120.2135.1-105.2175.1-172.9-174.30111.9
75G28Very low33.6Very low80 Ų80125.2 Ų125.283%0.82578%0.779SS**  trans78.7133165.400000114.5
76D29.3Very low32.4Very low163 Ų163125.2 Ų125.287%0.87279%0.792SS**  cis-161.6166.426.1-151.7-4.1000111.5
77Q29.2Very low32.1Very low190 Ų190124.7 Ų124.789%0.88880%0.795SS**  trans-74.2153.7-167.1-59.8-178.2-8.700116
78G28.5Very low31.5Very low71 Ų71127.2 Ų127.273%0.73281%0.805SS**  trans169.483.4162.300000118.7
79S28.3Very low30.9Very low113 Ų113127.6 Ų127.679%0.7981%0.809SS**  trans52.3114.4144.165.20000124.6
80S27.8Very low30.7Very low122 Ų122132.6 Ų132.685%0.85382%0.819SS**  61.8120.7126.267.80000123.5
81G28.8Very low30.6Very low80 Ų80132.9 Ų132.983%0.82582%0.82SS**  trans162.7115.2153.800000114.5
82T32.5Very low30.3Very low144 Ų144129.1 Ų129.188%0.88381%0.81SS**  trans-76.6170.7-172.833.40000116.4
83P39.8Very low30Very low121 Ų121131.1 Ų131.179%0.78681%0.809SS**  trans-107164-14740.5-33.9000115.7
84S28.3Very low30Very low114 Ų114131.5 Ų131.580%0.79781%0.807SS**  trans-156.6124.8156.154.90000114.9
85S30.2Very low30.2Very low105 Ų105126 Ų12673%0.73480%0.795SS**  trans48.397.1147.459.30000123.5
86S30.3Very low30.8Very low111 Ų111127 Ų12778%0.77680%0.796SS**  43162.2117.769.80000123.2
87P40.1Very low31.7Very low106 Ų106129.9 Ų129.969%0.68879%0.794SS**  -131.5168-58.437.9-21.4000111.7
88D27Very low33.1Very low153 Ų153125.3 Ų125.382%0.81878%0.781SS**  trans141.886.6148-76.9-18.7000110.4
89D27.3Very low34.9Very low165 Ų165124.4 Ų124.488%0.88276%0.759SS**  trans-150.9132.3141-117.1-23.6000111.2L91D89-L91 PolarHBondContact O-N 3.29Å
90K30.5Very low37.4Very low196 Ų196122.5 Ų122.585%0.85274%0.74SS**  trans-67.9109.4-174.4-71.9172.7177173.20109.9V92K90-V92 PolarHBondContact O-N 3.44Å
91L28Very low40.1Very low154 Ų154122.4 Ų122.481%0.80673%0.73SS**  trans-64.197.4159.5-94.3133.2000109.5D89 T93D89-L91 PolarHBondContact O-N 3.29Å; L91-T93 HydrophobicContact CD2-CG2 3.71Å; L91-T93 PolarHBondContact O-N 2.92Å
92V29Very low42.8Very low120 Ų120119.6 Ų119.673%0.72770%0.696SS**  trans-86.190.2152.41790000106.4K90 T94K90-V92 PolarHBondContact O-N 3.44Å; V92-T94 HydrophobicContact CG1-CG2 4.41Å; V92-T94 PolarHBondContact O-N 3.09Å
93T26.7Very low45.2Very low109 Ų109117.2 Ų117.267%0.66968%0.681SS**  trans-70.8101.6164.939.10000108.3L91 S95L91-T93 HydrophobicContact CD2-CG2 3.71Å; L91-T93 PolarHBondContact O-N 2.92Å; T93-S95 VanDerWaalsContact C-N 3.35Å; T93-S95 PolarHBondContact O-N 3.4Å
94T30.1Very low47.3Very low130 Ų130111.9 Ų111.980%0.79865%0.646SS**  trans-69.494.9166.345.40000108.7V92 A96V92-T94 HydrophobicContact CG1-CG2 4.41Å; V92-T94 PolarHBondContact O-N 3.09Å; T94-A96 PolarHBondContact O-N 2.76Å
95S34.1Very low49.7Very low98 Ų98114 Ų11469%0.68564%0.643SS**  trans-61.4127.216648.80000109.8T93 R97T93-S95 VanDerWaalsContact C-N 3.35Å; T93-S95 PolarHBondContact O-N 3.4Å; S95-R97 PolarHBondContact O-N 2.77Å; S95-R97 VanDerWaalsContact O-N 3.08Å
96A41.4Very low51.8Low102 Ų102112.2 Ų112.284%0.84364%0.642SS**  trans-61.3111.6171.800000108.8T94T94-A96 PolarHBondContact O-N 2.76Å
97R47.5Very low54.4Low223 Ų223107.1 Ų107.184%0.84261%0.606SS**  trans-71.8137.2-179.1-73-178.3177178.3-0.8110.2S95 I99S95-R97 PolarHBondContact O-N 2.77Å; S95-R97 VanDerWaalsContact O-N 3.08Å; R97-I99 PolarHBondContact O-N 2.69Å
98P58.2Low56.7Low95 Ų95102.9 Ų102.962%0.61758%0.579SS**  trans-63.9130.617326-32.3000110.1N100P98-N100 PolarHBondContact O-N 2.97Å; P98-N100 VanDerWaalsContact O-N 3.08Å
99I66.6Low59.7Low51 Ų5196.4 Ų96.426%0.26255%0.546SS..  trans-73103.2176.7-57.9172.3000107.9K48 H65 R97 L102K48-I99 WeakPolarHBondContact CE-O 3.4Å; K48-I99 PolarHBondContact NZ-O 2.79Å; H65-I99 WeakPolarHBondContact CD2-CD1 3.42Å; R97-I99 PolarHBondContact O-N 2.69Å; I99-L102 HydrophobicContact CG2-CD1 4.44Å; I99-L102 HydrophobicContact CG2-CD2 3.5Å; I99-L102 VanDerWaalsContact CG2-CD2 3.5Å; I99-L102 HydrophobicContact CG2-CG 3.71Å
100N80.6Confident62.8Low74 Ų7491.4 Ų91.440%0.39652%0.518SS..  trans-108.6-16179.5-65.7-9.6000112.4V35 T36 K48 P98V35-N100 CarbonylContact C-O 3.57Å; V35-N100 WeakPolarHBondContact CA-O 3.38Å; T36-N100 PolarHBondContact N-O 3.02Å; K48-N100 PolarHBondContact NZ-OD1 3.4Å; P98-N100 PolarHBondContact O-N 2.97Å; P98-N100 VanDerWaalsContact O-N 3.08Å
101N84.6Confident65.7Low119 Ų11982.1 Ų82.164%0.63648%0.478SS*.EExtended strand (participates in β ladder)trans-127.3122.5177.4-64.6-45.9000109T36T36-N101 WeakPolarHBondContact CB-OD1 3.21Å; T36-N101 WeakPolarHBondContact O-CA 3.33Å
102L85.8Confident68.9Low22 Ų2274.8 Ų74.812%0.11544%0.439CS..EExtended strand (participates in β ladder)trans-121.8125.5179.8-77.5170.8000109.7V35 T36 L37 T38 F58 L61 F62 I99V35-L102 HydrophobicContact CG2-CD1 3.96Å; V35-L102 HydrophobicContact CG2-CG 4.39Å; T36-L102 PolarHBondContact O-N 2.91Å; L37-L102 CarbonylContact C-O 3.48Å; L37-L102 WeakPolarHBondContact CA-O 3.44Å; L37-L102 HydrophobicContact CD2-CB 3.85Å; L37-L102 HydrophobicContact CD2-CD1 3.87Å; L37-L102 HydrophobicContact CD2-CG 4.49Å; T38-L102 PolarHBondContact N-O 3.44Å; F58-L102 HydrophobicContact CE1-CD1 4.37Å; L61-L102 HydrophobicContact CD2-CD1 3.75Å; L61-L102 HydrophobicContact CD2-CD2 3.97Å; F62-L102 HydrophobicContact CE1-CD1 3.84Å; F62-L102 HydrophobicContact CZ-CD1 4.18Å; I99-L102 HydrophobicContact CG2-CD1 4.44Å; I99-L102 HydrophobicContact CG2-CD2 3.5Å; I99-L102 VanDerWaalsContact CG2-CD2 3.5Å; I99-L102 HydrophobicContact CG2-CG 3.71Å
103V83.9Confident72Confident94 Ų9473.3 Ų73.357%0.5742%0.421SS*.EExtended strand (participates in β ladder)trans-96.6116.8170.9-175.20000108.1T38 Q105T38-V103 WeakPolarHBondContact O-CA 3.49Å; V103-Q105 PolarHBondContact O-N 3.35Å
104L83.3Confident75.2Confident9 Ų968.9 Ų68.95%0.04739%0.393CS..  trans-9299.4179.6-63.4177.2000109.2L37 T38 Y57 F58 C107 L112 L141L37-L104 HydrophobicContact CB-CD1 4.28Å; L37-L104 HydrophobicContact CD1-CD1 4.17Å; L37-L104 HydrophobicContact CD2-CD1 4.42Å; T38-L104 PolarHBondContact O-N 3.12Å; Y57-L104 HydrophobicContact CE1-CD2 4.19Å; F58-L104 HydrophobicContact CE1-CD2 4.41Å; F58-L104 HydrophobicContact CZ-CD1 4.23Å; F58-L104 HydrophobicContact CZ-CD2 4.5Å; L104-C107 HydrophobicContact CB-CB 4.04Å; L104-L112 HydrophobicContact CD1-CD1 4.08Å; L104-L112 HydrophobicContact CD1-CD2 3.95Å; L104-L141 HydrophobicContact CD1-CD2 4.3Å
105Q77.8Confident78.3Confident157 Ų15762.7 Ų62.773%0.73436%0.355SS*.THydrogen-bonded Turntrans-69.9137.9174.6-61-62.1-15.800110.3V103 C107V103-Q105 PolarHBondContact O-N 3.35Å; Q105-C107 VanDerWaalsContact C-N 3.31Å; Q105-C107 PolarHBondContact O-N 3.1Å
106G74.1Confident81.2Confident69 Ų6958.1 Ų58.171%0.71132%0.323SS*.THydrogen-bonded Turntrans78.71.1179.600000116.2I140G106-I140 WeakPolarHBondContact O-CD1 3.19Å
107C84.9Confident83.7Confident4 Ų456.3 Ų56.33%0.02730%0.297CS..  trans-95.1132.8174.1-71.30000111.4A39 L104 Q105 V137A39-C107 HydrophobicContact CB-CB 4.19Å; L104-C107 HydrophobicContact CB-CB 4.04Å; Q105-C107 VanDerWaalsContact C-N 3.31Å; Q105-C107 PolarHBondContact O-N 3.1Å; C107-V137 HydrophobicContact CB-CG2 4.1Å
108S89.3Confident85.9Confident16 Ų1647.8 Ų47.811%0.11227%0.265CS..  trans-74.8147.8168.781.10000110.8G111 L112 E133S108-G111 WeakPolarHBondContact OG-CA 3.5Å; S108-G111 PolarHBondContact OG-N 3.3Å; S108-L112 VanDerWaalsContact O-CB 3.28Å; S108-L112 WeakPolarHBondContact O-CB 3.43Å; S108-L112 PolarHBondContact O-N 3.48Å; S108-E133 VanDerWaalsContact CB-OE2 3.31Å; S108-E133 WeakPolarHBondContact CB-OE2 3.42Å; S108-E133 WeakPolarHBondContact OG-CB 3.37Å; S108-E133 PolarHBondContact OG-OE2 3.3Å
109S90.4Very high87.6Confident18 Ų1843.7 Ų43.713%0.12624%0.238CC..Hα-helixtrans-67.3-37178.460.10000112.2Q40 F44 R113Q40-S109 VanDerWaalsContact OE1-N 3.1Å; Q40-S109 PolarHBondContact OE1-OG 3.23Å; F44-S109 WeakPolarHBondContact CZ-O 3.37Å; S109-R113 WeakPolarHBondContact O-CB 3.42Å; S109-R113 PolarHBondContact O-N 3.42Å
110I92.3Very high89Confident60 Ų6041.3 Ų41.331%0.30823%0.225SC..Hα-helixtrans-69.8-48.4178.2-64162.4000110.5L112 R113 L114 T130 E133I110-L112 VanDerWaalsContact C-N 3.35Å; I110-L112 PolarHBondContact O-N 3.45Å; I110-R113 WeakPolarHBondContact O-CB 3.38Å; I110-R113 PolarHBondContact O-N 3.23Å; I110-L114 HydrophobicContact CG2-CD1 4.27Å; I110-L114 PolarHBondContact O-N 3.28Å; I110-L114 VanDerWaalsContact O-N 3.09Å; I110-T130 HydrophobicContact CG2-CG2 4.34Å; I110-E133 VanDerWaalsContact CB-OE2 3.29Å; I110-E133 WeakPolarHBondContact CB-OE2 3.49Å
111G91.9Very high89.6Confident0 Ų039.9 Ų39.90%022%0.22CC..Hα-helixtrans-60-43.3176.500000112S108 L114 V115 E133S108-G111 WeakPolarHBondContact OG-CA 3.5Å; S108-G111 PolarHBondContact OG-N 3.3Å; G111-L114 PolarHBondContact O-N 3.48Å; G111-V115 WeakPolarHBondContact O-CB 3.33Å; G111-V115 VanDerWaalsContact O-CG2 3.29Å; G111-V115 WeakPolarHBondContact O-CG2 3.39Å; G111-V115 PolarHBondContact O-N 3.5Å; G111-E133 PolarHBondContact N-OE2 3.25Å
112L93.9Very high89.9Confident0 Ų037.3 Ų37.30%022%0.215CC..Hα-helixtrans-62.9-43.2175.8-177.462.3000112.1L37 A39 F44 L104 S108 I110 L114 V115 L116 V137 L141L37-L112 HydrophobicContact CB-CD2 4.28Å; L37-L112 HydrophobicContact CD1-CD1 4.41Å; A39-L112 HydrophobicContact CB-CB 4.49Å; A39-L112 HydrophobicContact CB-CD2 3.63Å; F44-L112 HydrophobicContact CD2-CD2 3.69Å; F44-L112 HydrophobicContact CD2-CG 4.38Å; F44-L112 HydrophobicContact CE2-CD2 3.87Å; F44-L112 HydrophobicContact CE2-CG 4.42Å; F44-L112 HydrophobicContact CG-CD2 4.43Å; L104-L112 HydrophobicContact CD1-CD1 4.08Å; L104-L112 HydrophobicContact CD1-CD2 3.95Å; S108-L112 VanDerWaalsContact O-CB 3.28Å; S108-L112 WeakPolarHBondContact O-CB 3.43Å; S108-L112 PolarHBondContact O-N 3.48Å; I110-L112 VanDerWaalsContact C-N 3.35Å; I110-L112 PolarHBondContact O-N 3.45Å; L112-L114 PolarHBondContact O-N 2.56Å; L112-V115 PolarHBondContact O-N 3.2Å; L112-L116 HydrophobicContact CD1-CD1 4.29Å; L112-L116 HydrophobicContact CD1-CG 4.16Å; L112-L116 HydrophobicContact CG-CD1 4.01Å; L112-L116 HydrophobicContact CG-CG 4.31Å; L112-L116 WeakPolarHBondContact O-CB 3.43Å; L112-L116 VanDerWaalsContact O-CG 3.25Å; L112-L116 WeakPolarHBondContact O-CG 3.3Å; L112-L116 PolarHBondContact O-N 3.19Å; L112-V137 HydrophobicContact CD1-CG1 4.24Å; L112-L141 HydrophobicContact CD1-CD1 3.93Å
113R94.3Very high90.1Very high90 Ų9041.1 Ų41.134%0.3424%0.235SC..Hα-helixtrans-57-49.9176.6-178.2176.262.3-129.20.2111.7F44 S109 I110 V115 L116 E117F44-R113 HydrophobicContact CE1-CB 3.8Å; F44-R113 HydrophobicContact CE1-CG 4.26Å; F44-R113 HydrophobicContact CZ-CB 4.24Å; S109-R113 WeakPolarHBondContact O-CB 3.42Å; S109-R113 PolarHBondContact O-N 3.42Å; I110-R113 WeakPolarHBondContact O-CB 3.38Å; I110-R113 PolarHBondContact O-N 3.23Å; R113-V115 VanDerWaalsContact C-N 3.35Å; R113-V115 PolarHBondContact O-N 3.42Å; R113-L116 PolarHBondContact O-N 3.08Å; R113-E117 WeakPolarHBondContact O-CG 3.23Å; R113-E117 PolarHBondContact O-N 2.99Å
114L95.1Very high90.5Very high16 Ų1637.6 Ų37.68%0.08421%0.214CC..Hα-helixtrans-66.3-36.6-178.7-68.6173000112.3I110 G111 L112 E117 Y118 T130 V134I110-L114 HydrophobicContact CG2-CD1 4.27Å; I110-L114 PolarHBondContact O-N 3.28Å; I110-L114 VanDerWaalsContact O-N 3.09Å; G111-L114 PolarHBondContact O-N 3.48Å; L112-L114 PolarHBondContact O-N 2.56Å; L114-E117 PolarHBondContact O-N 3.01Å; L114-Y118 PolarHBondContact O-N 3.41Å; L114-T130 HydrophobicContact CD1-CG2 4.22Å; L114-V134 HydrophobicContact CB-CG2 3.8Å; L114-V134 HydrophobicContact CD1-CG2 3.54Å; L114-V134 HydrophobicContact CG-CG2 4.32Å
115V95.2Very high90.9Very high0 Ų041.3 Ų41.30%024%0.237CC..Hα-helixtrans-64.4-45172.9166.70000111G111 L112 R113 Y118 L119 V134 V137 L141 I143 I146G111-V115 WeakPolarHBondContact O-CB 3.33Å; G111-V115 VanDerWaalsContact O-CG2 3.29Å; G111-V115 WeakPolarHBondContact O-CG2 3.39Å; G111-V115 PolarHBondContact O-N 3.5Å; L112-V115 PolarHBondContact O-N 3.2Å; R113-V115 VanDerWaalsContact C-N 3.35Å; R113-V115 PolarHBondContact O-N 3.42Å; V115-Y118 WeakPolarHBondContact O-CB 3.48Å; V115-Y118 PolarHBondContact O-N 3.24Å; V115-L119 WeakPolarHBondContact O-CG 3.49Å; V115-L119 PolarHBondContact O-N 3.48Å; V115-V134 HydrophobicContact CG2-CG1 4.17Å; V115-V137 HydrophobicContact CB-CG1 4.31Å; V115-V137 HydrophobicContact CG2-CB 4.23Å; V115-V137 HydrophobicContact CG2-CG1 3.95Å; V115-L141 HydrophobicContact CG1-CD1 4.17Å; V115-I143 HydrophobicContact CG1-CD1 3.6Å; V115-I146 HydrophobicContact CB-CD1 4.15Å; V115-I146 HydrophobicContact CG1-CD1 3.72Å; V115-I146 HydrophobicContact CG2-CD1 3.97Å; V115-I146 HydrophobicContact CG2-CG2 4.48Å
116L94.2Very high91.7Very high1 Ų135.2 Ų35.21%0.00521%0.209CC..Hα-helixtrans-63.8-42.6176.7-70.3174.6000111.7W27 L37 F44 L51 L112 R113 Y118 L119 Y120W27-L116 HydrophobicContact CH2-CB 4.23Å; W27-L116 HydrophobicContact CZ2-CB 3.87Å; L37-L116 HydrophobicContact CD1-CD2 4.28Å; F44-L116 HydrophobicContact CB-CD1 3.66Å; F44-L116 HydrophobicContact CD1-CD1 3.89Å; F44-L116 HydrophobicContact CG-CD1 3.84Å; L51-L116 HydrophobicContact CD2-CD2 3.73Å; L112-L116 HydrophobicContact CD1-CD1 4.29Å; L112-L116 HydrophobicContact CD1-CG 4.16Å; L112-L116 HydrophobicContact CG-CD1 4.01Å; L112-L116 HydrophobicContact CG-CG 4.31Å; L112-L116 WeakPolarHBondContact O-CB 3.43Å; L112-L116 VanDerWaalsContact O-CG 3.25Å; L112-L116 WeakPolarHBondContact O-CG 3.3Å; L112-L116 PolarHBondContact O-N 3.19Å; R113-L116 PolarHBondContact O-N 3.08Å; L116-Y118 VanDerWaalsContact C-N 3.26Å; L116-Y118 PolarHBondContact O-N 3.47Å; L116-L119 HydrophobicContact CD2-CD1 4.24Å; L116-L119 WeakPolarHBondContact O-CB 3.03Å; L116-L119 PolarHBondContact O-N 2.84Å; L116-Y120 VanDerWaalsContact O-CD2 3.3Å; L116-Y120 WeakPolarHBondContact O-CD2 3.14Å; L116-Y120 PolarHBondContact O-N 3.28Å; L116-Y120 VanDerWaalsContact O-N 3.15Å
117E93.4Very high92.6Very high65 Ų6534 Ų3430%0.30419%0.19SC..Hα-helixtrans-54.8-44.6173.3-77175-16900110.9W27 R113 L114 L119 Y120 T121W27-E117 HydrophobicContact CH2-CG 3.9Å; W27-E117 HydrophobicContact CZ3-CG 4.2Å; R113-E117 WeakPolarHBondContact O-CG 3.23Å; R113-E117 PolarHBondContact O-N 2.99Å; L114-E117 PolarHBondContact O-N 3.01Å; E117-L119 PolarHBondContact O-N 3.37Å; E117-Y120 PolarHBondContact O-N 3.49Å; E117-T121 VanDerWaalsContact O-CB 3.24Å; E117-T121 WeakPolarHBondContact O-CB 3.31Å; E117-T121 VanDerWaalsContact O-CG2 3.25Å; E117-T121 WeakPolarHBondContact O-CG2 3.32Å; E117-T121 PolarHBondContact O-N 3.42Å; E117-T121 PolarHBondContact O-OG1 3.03Å
118Y94.9Very high92.8Very high44 Ų4435.7 Ų35.717%0.17320%0.198CC..Hα-helixtrans-60.5-43.6174.1171.6-90.1000112.9L114 V115 L116 Y120 T121 A122 N123 V124 I146 L149L114-Y118 PolarHBondContact O-N 3.41Å; V115-Y118 WeakPolarHBondContact O-CB 3.48Å; V115-Y118 PolarHBondContact O-N 3.24Å; L116-Y118 VanDerWaalsContact C-N 3.26Å; L116-Y118 PolarHBondContact O-N 3.47Å; Y118-Y120 PolarHBondContact O-N 2.88Å; Y118-T121 PolarHBondContact O-N 3.34Å; Y118-A122 VanDerWaalsContact O-CA 3.26Å; Y118-A122 WeakPolarHBondContact O-CA 3.3Å; Y118-A122 PolarHBondContact O-N 2.9Å; Y118-N123 VanDerWaalsContact CA-O 3.28Å; Y118-N123 WeakPolarHBondContact CA-O 3.4Å; Y118-V124 HydrophobicContact CD2-CB 3.88Å; Y118-V124 HydrophobicContact CD2-CG1 4.23Å; Y118-V124 HydrophobicContact CG-CB 4.29Å; Y118-I146 HydrophobicContact CD1-CD1 3.4Å; Y118-I146 VanDerWaalsContact CD1-CD1 3.4Å; Y118-I146 HydrophobicContact CD1-CG1 3.43Å; Y118-I146 VanDerWaalsContact CD1-CG1 3.43Å; Y118-I146 HydrophobicContact CD2-CG1 4.4Å; Y118-I146 HydrophobicContact CE1-CD1 3.97Å; Y118-I146 HydrophobicContact CE1-CG1 3.57Å; Y118-I146 HydrophobicContact CG-CD1 3.92Å; Y118-I146 HydrophobicContact CG-CG1 3.88Å; Y118-L149 HydrophobicContact CE2-CD1 3.99Å
119L93.9Very high92.7Very high9 Ų941.2 Ų41.25%0.04723%0.227CC..Hα-helixtrans-59.5-31.8179.2-65.4-172.2000113V50 L51 C54 V115 L116 E117 I143V50-L119 HydrophobicContact CG1-CB 4.41Å; L51-L119 HydrophobicContact CD2-CD1 3.64Å; C54-L119 HydrophobicContact CB-CD2 3.31Å; C54-L119 HydrophobicContact CB-CG 4.49Å; V115-L119 WeakPolarHBondContact O-CG 3.49Å; V115-L119 PolarHBondContact O-N 3.48Å; L116-L119 HydrophobicContact CD2-CD1 4.24Å; L116-L119 WeakPolarHBondContact O-CB 3.03Å; L116-L119 PolarHBondContact O-N 2.84Å; E117-L119 PolarHBondContact O-N 3.37Å; L119-I143 HydrophobicContact CD2-CD1 4.26Å
120Y94.4Very high92.8Very high0 Ų041.7 Ų41.70%023%0.229CC..Hα-helixtrans-99.6-12.6-178.9-72.9-76.3000114.2L23 N24 W27 H47 V50 L116 E117 Y118L23-Y120 HydrophobicContact CB-CD1 4.22Å; L23-Y120 HydrophobicContact CB-CE1 4.46Å; N24-Y120 VanDerWaalsContact CB-O 3.26Å; N24-Y120 WeakPolarHBondContact CB-O 3.49Å; W27-Y120 HydrophobicContact CB-CD1 3.61Å; W27-Y120 HydrophobicContact CB-CD2 4.2Å; W27-Y120 HydrophobicContact CB-CE1 3.66Å; W27-Y120 HydrophobicContact CB-CE2 4.25Å; W27-Y120 HydrophobicContact CB-CG 3.9Å; W27-Y120 AromaticContact CD1-CD2 3.98Å; W27-Y120 AromaticContact CD1-CE2 3.56Å; W27-Y120 AromaticContact CD1-CZ 3.75Å; W27-Y120 HydrophobicContact CD2-CD1 4.32Å; W27-Y120 AromaticContact CD2-CD2 3.34Å; W27-Y120 HydrophobicContact CD2-CD2 3.34Å; W27-Y120 AromaticContact CD2-CE2 3.77Å; W27-Y120 HydrophobicContact CD2-CE2 3.77Å; W27-Y120 AromaticContact CD2-CG 3.68Å; W27-Y120 HydrophobicContact CD2-CG 3.68Å; W27-Y120 AromaticContact CE2-CD2 3.67Å; W27-Y120 AromaticContact CE2-CE2 3.84Å; W27-Y120 AromaticContact CE3-CD2 3.67Å; W27-Y120 HydrophobicContact CE3-CD2 3.67Å; W27-Y120 AromaticContact CE3-CG 3.7Å; W27-Y120 HydrophobicContact CE3-CG 3.7Å; W27-Y120 AromaticContact CG-CD1 3.93Å; W27-Y120 HydrophobicContact CG-CD1 3.93Å; W27-Y120 AromaticContact CG-CD2 3.58Å; W27-Y120 HydrophobicContact CG-CD2 3.58Å; W27-Y120 AromaticContact CG-CE1 3.93Å; W27-Y120 HydrophobicContact CG-CE1 3.93Å; W27-Y120 AromaticContact CG-CE2 3.59Å; W27-Y120 HydrophobicContact CG-CE2 3.59Å; W27-Y120 AromaticContact CG-CG 3.77Å; W27-Y120 HydrophobicContact CG-CG 3.77Å; W27-Y120 AromaticContact CG-CZ 3.78Å; W27-Y120 HydrophobicContact CH2-CD2 4.5Å; W27-Y120 HydrophobicContact CZ2-CD2 4.25Å; W27-Y120 HydrophobicContact CZ3-CD2 4.23Å; W27-Y120 HydrophobicContact CZ3-CG 4.47Å; W27-Y120 AromaticContact NE1-CE2 3.69Å; H47-Y120 WeakPolarHBondContact CB-OH 3.44Å; H47-Y120 PolarHBondContact N-OH 2.8Å; H47-Y120 AromaticContact ND1-CE1 3.54Å; H47-Y120 AromaticContact ND1-CZ 3.54Å; H47-Y120 PolarHBondContact ND1-OH 3.25Å; V50-Y120 HydrophobicContact CB-CE1 4.09Å; V50-Y120 HydrophobicContact CG1-CD1 4.33Å; V50-Y120 HydrophobicContact CG1-CE1 3.8Å; V50-Y120 HydrophobicContact CG1-CE2 4.35Å; V50-Y120 HydrophobicContact CG2-CE1 3.88Å; L116-Y120 VanDerWaalsContact O-CD2 3.3Å; L116-Y120 WeakPolarHBondContact O-CD2 3.14Å; L116-Y120 PolarHBondContact O-N 3.28Å; L116-Y120 VanDerWaalsContact O-N 3.15Å; E117-Y120 PolarHBondContact O-N 3.49Å; Y118-Y120 PolarHBondContact O-N 2.88Å
121T93.1Very high92.9Very high45 Ų4538.9 Ų38.928%0.27621%0.214SC..Hα-helixtrans-124.1-10.8-175.567.20000114.2E117 Y118 N123E117-T121 VanDerWaalsContact O-CB 3.24Å; E117-T121 WeakPolarHBondContact O-CB 3.31Å; E117-T121 VanDerWaalsContact O-CG2 3.25Å; E117-T121 WeakPolarHBondContact O-CG2 3.32Å; E117-T121 PolarHBondContact O-N 3.42Å; E117-T121 PolarHBondContact O-OG1 3.03Å; Y118-T121 PolarHBondContact O-N 3.34Å; T121-N123 PolarHBondContact O-N 3.31Å; T121-N123 VanDerWaalsContact O-N 3.14Å; T121-N123 PolarHBondContact OG1-N 3.38Å; T121-N123 VanDerWaalsContact OG1-N 3.11Å; T121-N123 PolarHBondContact OG1-O 3.11Å; T121-N123 VanDerWaalsContact OG1-O 3.13Å
122A90.9Very high92.9Very high64 Ų6442.1 Ų42.153%0.52923%0.23SC..SBendtrans55.814.6-165.700000114.4L20 Y118L20-A122 HydrophobicContact CD2-CB 3.59Å; Y118-A122 VanDerWaalsContact O-CA 3.26Å; Y118-A122 WeakPolarHBondContact O-CA 3.3Å; Y118-A122 PolarHBondContact O-N 2.9Å
123N91.2Very high92.7Very high102 Ų10245 Ų4555%0.54524%0.243SC..  trans-122.3131.1179.4-17025.6000110.6Y118 T121Y118-N123 VanDerWaalsContact CA-O 3.28Å; Y118-N123 WeakPolarHBondContact CA-O 3.4Å; T121-N123 PolarHBondContact O-N 3.31Å; T121-N123 VanDerWaalsContact O-N 3.14Å; T121-N123 PolarHBondContact OG1-N 3.38Å; T121-N123 VanDerWaalsContact OG1-N 3.11Å; T121-N123 PolarHBondContact OG1-O 3.11Å; T121-N123 VanDerWaalsContact OG1-O 3.13Å
124V93Very high92.7Very high20 Ų2040.7 Ų40.712%0.12123%0.227CC..  trans-117.6124.4175.663.30000108.6Y118 L126 V134 L149Y118-V124 HydrophobicContact CD2-CB 3.88Å; Y118-V124 HydrophobicContact CD2-CG1 4.23Å; Y118-V124 HydrophobicContact CG-CB 4.29Å; V124-L126 HydrophobicContact CG1-CD1 4.32Å; V124-L126 HydrophobicContact CG1-CG 4.28Å; V124-L126 HydrophobicContact CG2-CD2 3.86Å; V124-L126 HydrophobicContact CG2-CG 4.16Å; V124-V134 HydrophobicContact CG2-CG1 4.13Å; V124-L149 HydrophobicContact CG1-CB 4.33Å; V124-L149 HydrophobicContact CG1-CD1 3.83Å
125T91.4Very high92.6Very high87 Ų8740 Ų4053%0.53422%0.223SC..  trans-91.1119.1175.7-540000108.4
126L93.2Very high92.3Very high30 Ų3041.7 Ų41.716%0.15724%0.235CC..  trans-117.2139.9-178.1-62.1173.4000110.6V124 V131 V134 F153V124-L126 HydrophobicContact CG1-CD1 4.32Å; V124-L126 HydrophobicContact CG1-CG 4.28Å; V124-L126 HydrophobicContact CG2-CD2 3.86Å; V124-L126 HydrophobicContact CG2-CG 4.16Å; L126-V131 HydrophobicContact CD2-CG2 4.45Å; L126-V134 HydrophobicContact CD2-CB 4.06Å; L126-V134 HydrophobicContact CD2-CG1 3.85Å; L126-V134 HydrophobicContact CD2-CG2 4.22Å; L126-F153 HydrophobicContact CB-CD1 4.08Å; L126-F153 HydrophobicContact CB-CD2 3.99Å; L126-F153 HydrophobicContact CB-CE1 4.29Å; L126-F153 HydrophobicContact CB-CE2 4.21Å; L126-F153 HydrophobicContact CB-CG 3.92Å; L126-F153 HydrophobicContact CB-CZ 4.36Å; L126-F153 HydrophobicContact CD1-CB 3.68Å; L126-F153 HydrophobicContact CD1-CG 4.02Å
127S92.9Very high92.2Very high42 Ų4241.7 Ų41.729%0.29424%0.235SC..  trans-138165.7168.669.60000109.7D129 T130 V131S127-D129 PolarHBondContact O-N 3.33Å; S127-D129 PolarHBondContact OG-N 3.12Å; S127-T130 PolarHBondContact N-OG1 3.29Å; S127-T130 PolarHBondContact O-N 2.94Å; S127-T130 VanDerWaalsContact O-N 3.11Å; S127-T130 PolarHBondContact O-OG1 3.17Å; S127-T130 PolarHBondContact OG-N 2.87Å; S127-T130 PolarHBondContact OG-OG1 3.41Å; S127-V131 VanDerWaalsContact O-CB 3.27Å; S127-V131 WeakPolarHBondContact O-CB 3.42Å; S127-V131 WeakPolarHBondContact O-CG1 3.48Å; S127-V131 PolarHBondContact O-N 2.86Å
128L89.1Confident92.2Very high40 Ų4038.6 Ų38.621%0.20922%0.22CC..THydrogen-bonded Turntrans-60.2-26.3176.2-69.5175.2000112.9F153 N162 Q165 I166L128-F153 HydrophobicContact CD2-CE1 4.29Å; L128-N162 HydrophobicContact CD1-CB 3.95Å; L128-Q165 PolarHBondContact O-NE2 3.24Å; L128-I166 HydrophobicContact CD2-CD1 4.31Å; L128-I166 HydrophobicContact CD2-CG1 4.22Å
129D88.8Confident91.9Very high132 Ų13240.6 Ų40.671%0.70623%0.23SC*.THydrogen-bonded Turntrans-80.2-26.1177.5-53.2-52.8000113.5S127S127-D129 PolarHBondContact O-N 3.33Å; S127-D129 PolarHBondContact OG-N 3.12Å
130T92.1Very high91.7Very high29 Ų2943.6 Ų43.618%0.17825%0.245CC..THydrogen-bonded Turntrans-109-20.3-172.555.60000113.7I110 L114 S127 E132 E133 V134I110-T130 HydrophobicContact CG2-CG2 4.34Å; L114-T130 HydrophobicContact CD1-CG2 4.22Å; S127-T130 PolarHBondContact N-OG1 3.29Å; S127-T130 PolarHBondContact O-N 2.94Å; S127-T130 VanDerWaalsContact O-N 3.11Å; S127-T130 PolarHBondContact O-OG1 3.17Å; S127-T130 PolarHBondContact OG-N 2.87Å; S127-T130 PolarHBondContact OG-OG1 3.41Å; T130-E132 VanDerWaalsContact C-N 3.34Å; T130-E132 PolarHBondContact O-N 3.45Å; T130-E133 PolarHBondContact O-N 2.87Å; T130-V134 WeakPolarHBondContact O-CG2 3.32Å; T130-V134 PolarHBondContact O-N 3.31Å
131V93.4Very high91.5Very high0 Ų043.6 Ų43.60%025%0.246CC..Hα-helixtrans-62.6-36.1-172.865.40000113.2L126 S127 L135 F153 L154 I169L126-V131 HydrophobicContact CD2-CG2 4.45Å; S127-V131 VanDerWaalsContact O-CB 3.27Å; S127-V131 WeakPolarHBondContact O-CB 3.42Å; S127-V131 WeakPolarHBondContact O-CG1 3.48Å; S127-V131 PolarHBondContact O-N 2.86Å; V131-L135 WeakPolarHBondContact O-CB 3.39Å; V131-L135 PolarHBondContact O-N 2.96Å; V131-F153 HydrophobicContact CB-CD1 4.22Å; V131-F153 HydrophobicContact CB-CE1 4.23Å; V131-F153 HydrophobicContact CG1-CE1 4.39Å; V131-F153 HydrophobicContact CG2-CD1 3.96Å; V131-F153 HydrophobicContact CG2-CE1 4.46Å; V131-L154 HydrophobicContact CG1-CD2 3.74Å; V131-L154 HydrophobicContact CG1-CG 4.49Å; V131-L154 HydrophobicContact CG2-CD1 4.34Å; V131-L154 HydrophobicContact CG2-CD2 4.13Å; V131-L154 HydrophobicContact CG2-CG 3.98Å; V131-I169 HydrophobicContact CG1-CD1 4.09Å
132E91.6Very high91.4Very high69 Ų6944.7 Ų44.732%0.32225%0.25SC..Hα-helixtrans-62.7-44.2177.9-174178.6171.300111.2T130 L135 S136 I169 L172T130-E132 VanDerWaalsContact C-N 3.34Å; T130-E132 PolarHBondContact O-N 3.45Å; E132-L135 PolarHBondContact O-N 2.95Å; E132-S136 WeakPolarHBondContact O-CB 3.27Å; E132-S136 PolarHBondContact O-N 3.15Å; E132-S136 PolarHBondContact O-OG 3.23Å; E132-I169 HydrophobicContact CB-CD1 4.34Å; E132-I169 HydrophobicContact CB-CG1 4.27Å; E132-I169 HydrophobicContact CG-CG1 4.41Å; E132-L172 WeakPolarHBondContact OE1-CD1 3.33Å
133E90.5Very high91.5Very high60 Ų6041.8 Ų41.828%0.2823%0.225SC..Hα-helixtrans-67.6-45.4179-66-170-161.200112.3S108 I110 G111 T130 L135 S136 V137S108-E133 VanDerWaalsContact CB-OE2 3.31Å; S108-E133 WeakPolarHBondContact CB-OE2 3.42Å; S108-E133 WeakPolarHBondContact OG-CB 3.37Å; S108-E133 PolarHBondContact OG-OE2 3.3Å; I110-E133 VanDerWaalsContact CB-OE2 3.29Å; I110-E133 WeakPolarHBondContact CB-OE2 3.49Å; G111-E133 PolarHBondContact N-OE2 3.25Å; T130-E133 PolarHBondContact O-N 2.87Å; E133-L135 VanDerWaalsContact C-N 3.33Å; E133-L135 PolarHBondContact O-N 2.72Å; E133-S136 WeakPolarHBondContact O-CB 3.35Å; E133-S136 PolarHBondContact O-N 3.13Å; E133-V137 WeakPolarHBondContact O-CG2 3.46Å; E133-V137 PolarHBondContact O-N 3.32Å
134V94.2Very high91.5Very high0 Ų040.4 Ų40.40%022%0.222CC..Hα-helixtrans-62.1-43.4176.8175.40000110.6L114 V115 V124 L126 T130 V137 S138 I146L114-V134 HydrophobicContact CB-CG2 3.8Å; L114-V134 HydrophobicContact CD1-CG2 3.54Å; L114-V134 HydrophobicContact CG-CG2 4.32Å; V115-V134 HydrophobicContact CG2-CG1 4.17Å; V124-V134 HydrophobicContact CG2-CG1 4.13Å; L126-V134 HydrophobicContact CD2-CB 4.06Å; L126-V134 HydrophobicContact CD2-CG1 3.85Å; L126-V134 HydrophobicContact CD2-CG2 4.22Å; T130-V134 WeakPolarHBondContact O-CG2 3.32Å; T130-V134 PolarHBondContact O-N 3.31Å; V134-V137 PolarHBondContact O-N 3.38Å; V134-S138 VanDerWaalsContact O-CB 3.28Å; V134-S138 WeakPolarHBondContact O-CB 3.4Å; V134-S138 PolarHBondContact O-N 3.23Å; V134-S138 PolarHBondContact O-OG 3.43Å; V134-I146 HydrophobicContact CG1-CG2 3.57Å
135L92.4Very high91.5Very high0 Ų044.6 Ų44.60%024%0.24CC..Hα-helixtrans-61.7-46.3176.9-178.461.7000111.1V131 E132 E133 S138 K139 T147 L154 I169 H173 L175V131-L135 WeakPolarHBondContact O-CB 3.39Å; V131-L135 PolarHBondContact O-N 2.96Å; E132-L135 PolarHBondContact O-N 2.95Å; E133-L135 VanDerWaalsContact C-N 3.33Å; E133-L135 PolarHBondContact O-N 2.72Å; L135-S138 PolarHBondContact O-N 2.66Å; L135-S138 PolarHBondContact O-OG 3.17Å; L135-K139 WeakPolarHBondContact O-CG 3.45Å; L135-K139 PolarHBondContact O-N 3.07Å; L135-K139 VanDerWaalsContact O-N 3.13Å; L135-T147 HydrophobicContact CD1-CG2 3.81Å; L135-L154 HydrophobicContact CD2-CD1 4.44Å; L135-I169 HydrophobicContact CD2-CG2 4.3Å; L135-H173 HydrophobicContact CD2-CB 3.69Å; L135-H173 VanDerWaalsContact CD2-CG 3.45Å; L135-H173 HydrophobicContact CG-CB 4.41Å; L135-L175 HydrophobicContact CD2-CD1 3.79Å
136S89Confident91.6Very high36 Ų3640.5 Ų40.525%0.25222%0.215SC..Hα-helixtrans-54.7-54.7175.6-60.90000112E132 E133 S138 K139 I140 H173E132-S136 WeakPolarHBondContact O-CB 3.27Å; E132-S136 PolarHBondContact O-N 3.15Å; E132-S136 PolarHBondContact O-OG 3.23Å; E133-S136 WeakPolarHBondContact O-CB 3.35Å; E133-S136 PolarHBondContact O-N 3.13Å; S136-S138 PolarHBondContact O-N 3.22Å; S136-K139 PolarHBondContact O-N 3.11Å; S136-I140 WeakPolarHBondContact O-CG1 3.28Å; S136-I140 PolarHBondContact O-N 3.49Å; S136-I140 VanDerWaalsContact O-N 3.09Å; S136-H173 PolarHBondContact OG-CE1 3.17Å
137V92.4Very high91.5Very high1 Ų140.3 Ų40.31%0.00622%0.215CC..Hα-helixtrans-65-39.6-178.41760000111.1C107 L112 V115 E133 V134 K139 I140 L141C107-V137 HydrophobicContact CB-CG2 4.1Å; L112-V137 HydrophobicContact CD1-CG1 4.24Å; V115-V137 HydrophobicContact CB-CG1 4.31Å; V115-V137 HydrophobicContact CG2-CB 4.23Å; V115-V137 HydrophobicContact CG2-CG1 3.95Å; E133-V137 WeakPolarHBondContact O-CG2 3.46Å; E133-V137 PolarHBondContact O-N 3.32Å; V134-V137 PolarHBondContact O-N 3.38Å; V137-K139 VanDerWaalsContact C-N 3.26Å; V137-K139 PolarHBondContact O-N 3.14Å; V137-I140 PolarHBondContact O-N 2.78Å; V137-L141 HydrophobicContact CG1-CD1 3.54Å; V137-L141 HydrophobicContact CG1-CG 3.99Å; V137-L141 WeakPolarHBondContact O-CB 3.28Å; V137-L141 WeakPolarHBondContact O-CG 3.35Å; V137-L141 PolarHBondContact O-N 3.36Å
138S93.3Very high91.6Very high0 Ų045.6 Ų45.60%023%0.233CC..Hα-helixtrans-59.7-36.4177.576.80000112.8V134 L135 S136 N142 I143 T147V134-S138 VanDerWaalsContact O-CB 3.28Å; V134-S138 WeakPolarHBondContact O-CB 3.4Å; V134-S138 PolarHBondContact O-N 3.23Å; V134-S138 PolarHBondContact O-OG 3.43Å; L135-S138 PolarHBondContact O-N 2.66Å; L135-S138 PolarHBondContact O-OG 3.17Å; S136-S138 PolarHBondContact O-N 3.22Å; S138-N142 WeakPolarHBondContact O-CA 3.44Å; S138-N142 PolarHBondContact O-N 3.14Å; S138-I143 PolarHBondContact O-N 2.86Å; S138-T147 PolarHBondContact OG-OG1 3.08Å
139K89.6Confident91.8Very high87 Ų8746.8 Ų46.838%0.37824%0.239SC..Hα-helixtrans-73-45.5177.1-72.7-172.3175.8-153.60111.6L135 S136 V137 L141 N142 T147 H173L135-K139 WeakPolarHBondContact O-CG 3.45Å; L135-K139 PolarHBondContact O-N 3.07Å; L135-K139 VanDerWaalsContact O-N 3.13Å; S136-K139 PolarHBondContact O-N 3.11Å; V137-K139 VanDerWaalsContact C-N 3.26Å; V137-K139 PolarHBondContact O-N 3.14Å; K139-L141 VanDerWaalsContact C-N 3.34Å; K139-L141 PolarHBondContact O-N 2.93Å; K139-N142 PolarHBondContact O-N 3.09Å; K139-N142 VanDerWaalsContact O-N 3.12Å; K139-T147 HydrophobicContact CG-CG2 4.44Å; K139-H173 PolarHBondContact NZ-O 3.17Å
140I88.7Confident92.1Very high71 Ų7140.5 Ų40.536%0.36421%0.206SC..Hα-helixtrans-58.7-48177-67.1167.7000110.4G106 S136 V137 N142G106-I140 WeakPolarHBondContact O-CD1 3.19Å; S136-I140 WeakPolarHBondContact O-CG1 3.28Å; S136-I140 PolarHBondContact O-N 3.49Å; S136-I140 VanDerWaalsContact O-N 3.09Å; V137-I140 PolarHBondContact O-N 2.78Å; I140-N142 PolarHBondContact O-N 3.23Å
141L89.9Confident92.1Very high1 Ų140.7 Ų40.71%0.00521%0.207CC..THydrogen-bonded Turntrans-80.3-1.5-179.5-59-177.7000113S55 Y57 F58 L104 L112 V115 V137 K139 I143S55-L141 WeakPolarHBondContact CB-O 3.19Å; S55-L141 PolarHBondContact OG-O 3.2Å; Y57-L141 WeakPolarHBondContact CB-O 3.5Å; Y57-L141 HydrophobicContact CD1-CD2 3.9Å; Y57-L141 HydrophobicContact CE1-CD2 4.16Å; F58-L141 HydrophobicContact CE2-CD1 4.02Å; F58-L141 HydrophobicContact CE2-CD2 3.73Å; F58-L141 HydrophobicContact CE2-CG 4.34Å; F58-L141 HydrophobicContact CZ-CD1 4.44Å; F58-L141 HydrophobicContact CZ-CD2 3.69Å; L104-L141 HydrophobicContact CD1-CD2 4.3Å; L112-L141 HydrophobicContact CD1-CD1 3.93Å; V115-L141 HydrophobicContact CG1-CD1 4.17Å; V137-L141 HydrophobicContact CG1-CD1 3.54Å; V137-L141 HydrophobicContact CG1-CG 3.99Å; V137-L141 WeakPolarHBondContact O-CB 3.28Å; V137-L141 WeakPolarHBondContact O-CG 3.35Å; V137-L141 PolarHBondContact O-N 3.36Å; K139-L141 VanDerWaalsContact C-N 3.34Å; K139-L141 PolarHBondContact O-N 2.93Å; L141-I143 HydrophobicContact CB-CD1 3.94Å; L141-I143 HydrophobicContact CB-CG1 4.07Å; L141-I143 HydrophobicContact CD1-CD1 4.4Å
142N91.6Very high92.2Very high67 Ų6745.2 Ų45.236%0.35823%0.228SC..THydrogen-bonded Turntrans49.863.5-178.9-166.5-0.1000112.4Q56 S138 K139 I140 P144Q56-N142 HydrophobicContact CB-CB 4.49Å; Q56-N142 PolarHBondContact OE1-ND2 3.2Å; S138-N142 WeakPolarHBondContact O-CA 3.44Å; S138-N142 PolarHBondContact O-N 3.14Å; K139-N142 PolarHBondContact O-N 3.09Å; K139-N142 VanDerWaalsContact O-N 3.12Å; I140-N142 PolarHBondContact O-N 3.23Å; N142-P144 WeakPolarHBondContact O-CD 3.48Å
143I93.5Very high92.3Very high3 Ų344 Ų442%0.01522%0.221CC..  trans-117.485.1176.7-52.9171.5000108.9V115 L119 S138 L141 Q145 I146 T147V115-I143 HydrophobicContact CG1-CD1 3.6Å; L119-I143 HydrophobicContact CD2-CD1 4.26Å; S138-I143 PolarHBondContact O-N 2.86Å; L141-I143 HydrophobicContact CB-CD1 3.94Å; L141-I143 HydrophobicContact CB-CG1 4.07Å; L141-I143 HydrophobicContact CD1-CD1 4.4Å; I143-Q145 VanDerWaalsContact C-N 3.27Å; I143-Q145 PolarHBondContact O-N 2.79Å; I143-Q145 VanDerWaalsContact O-N 3.16Å; I143-I146 HydrophobicContact CB-CD1 4.29Å; I143-I146 HydrophobicContact CD1-CD1 4.23Å; I143-I146 HydrophobicContact CG2-CB 4.34Å; I143-I146 HydrophobicContact CG2-CD1 3.74Å; I143-I146 HydrophobicContact CG2-CG1 3.79Å; I143-I146 PolarHBondContact O-N 3.06Å; I143-T147 PolarHBondContact O-N 3.2Å; I143-T147 PolarHBondContact O-OG1 2.69Å
144P90.5Very high92.5Very high74 Ų7441.1 Ų41.148%0.48121%0.208SC..Hα-helixtrans-60.4-30.6-169.1-25.934.9000114.9N142 T147 K148N142-P144 WeakPolarHBondContact O-CD 3.48Å; P144-T147 WeakPolarHBondContact O-CB 3.4Å; P144-T147 PolarHBondContact O-N 2.76Å; P144-K148 WeakPolarHBondContact O-CB 3.46Å; P144-K148 PolarHBondContact O-N 3.14Å
145Q92.9Very high92.4Very high108 Ų10843.5 Ų43.551%0.50522%0.22SC..Hα-helixtrans-66.2-42.5-178-70.4770.400111.6I143 K148 L149I143-Q145 VanDerWaalsContact C-N 3.27Å; I143-Q145 PolarHBondContact O-N 2.79Å; I143-Q145 VanDerWaalsContact O-N 3.16Å; Q145-K148 PolarHBondContact O-N 3.06Å; Q145-L149 WeakPolarHBondContact O-CG 3.37Å; Q145-L149 PolarHBondContact O-N 3.07Å
146I93.8Very high92.4Very high0 Ų048.7 Ų48.70%025%0.248CC..Hα-helixtrans-67.6-40.6176.4-60.7176.4000110V115 Y118 V134 I143 K148 L149 S150V115-I146 HydrophobicContact CB-CD1 4.15Å; V115-I146 HydrophobicContact CG1-CD1 3.72Å; V115-I146 HydrophobicContact CG2-CD1 3.97Å; V115-I146 HydrophobicContact CG2-CG2 4.48Å; Y118-I146 HydrophobicContact CD1-CD1 3.4Å; Y118-I146 VanDerWaalsContact CD1-CD1 3.4Å; Y118-I146 HydrophobicContact CD1-CG1 3.43Å; Y118-I146 VanDerWaalsContact CD1-CG1 3.43Å; Y118-I146 HydrophobicContact CD2-CG1 4.4Å; Y118-I146 HydrophobicContact CE1-CD1 3.97Å; Y118-I146 HydrophobicContact CE1-CG1 3.57Å; Y118-I146 HydrophobicContact CG-CD1 3.92Å; Y118-I146 HydrophobicContact CG-CG1 3.88Å; V134-I146 HydrophobicContact CG1-CG2 3.57Å; I143-I146 HydrophobicContact CB-CD1 4.29Å; I143-I146 HydrophobicContact CD1-CD1 4.23Å; I143-I146 HydrophobicContact CG2-CB 4.34Å; I143-I146 HydrophobicContact CG2-CD1 3.74Å; I143-I146 HydrophobicContact CG2-CG1 3.79Å; I143-I146 PolarHBondContact O-N 3.06Å; I146-K148 VanDerWaalsContact C-N 3.31Å; I146-K148 PolarHBondContact O-N 3.15Å; I146-L149 PolarHBondContact O-N 3.45Å; I146-S150 WeakPolarHBondContact O-CB 3.48Å; I146-S150 PolarHBondContact O-N 3.3Å; I146-S150 PolarHBondContact O-OG 3.16Å
147T92.4Very high92.5Very high27 Ų2751.4 Ų51.417%0.16626%0.257CS..Hα-helixtrans-57.1-46.4174-53.60000110.6L135 S138 K139 I143 P144 S150 V151L135-T147 HydrophobicContact CD1-CG2 3.81Å; S138-T147 PolarHBondContact OG-OG1 3.08Å; K139-T147 HydrophobicContact CG-CG2 4.44Å; I143-T147 PolarHBondContact O-N 3.2Å; I143-T147 PolarHBondContact O-OG1 2.69Å; P144-T147 WeakPolarHBondContact O-CB 3.4Å; P144-T147 PolarHBondContact O-N 2.76Å; T147-S150 PolarHBondContact O-N 3.11Å; T147-V151 VanDerWaalsContact O-CG2 3.27Å; T147-V151 WeakPolarHBondContact O-CG2 3.45Å; T147-V151 PolarHBondContact O-N 3.35Å
148K93.5Very high92.4Very high153 Ų15352.2 Ų52.267%0.66526%0.261SS*.Hα-helixtrans-60.3-47.6177.4-175.4-177.1176.6-1760112.4P144 Q145 I146 S150 V151 Q152P144-K148 WeakPolarHBondContact O-CB 3.46Å; P144-K148 PolarHBondContact O-N 3.14Å; Q145-K148 PolarHBondContact O-N 3.06Å; I146-K148 VanDerWaalsContact C-N 3.31Å; I146-K148 PolarHBondContact O-N 3.15Å; K148-S150 VanDerWaalsContact C-N 3.33Å; K148-S150 PolarHBondContact O-N 3.42Å; K148-V151 PolarHBondContact O-N 3.46Å; K148-Q152 WeakPolarHBondContact O-CB 3.39Å; K148-Q152 PolarHBondContact O-N 2.9Å
149L93.8Very high92.1Very high65 Ų6554 Ų5434%0.3427%0.274SS..Hα-helixtrans-63.4-39.7178.5-69.9173.5000112Y118 V124 Q145 I146 Q152 F153Y118-L149 HydrophobicContact CE2-CD1 3.99Å; V124-L149 HydrophobicContact CG1-CB 4.33Å; V124-L149 HydrophobicContact CG1-CD1 3.83Å; Q145-L149 WeakPolarHBondContact O-CG 3.37Å; Q145-L149 PolarHBondContact O-N 3.07Å; I146-L149 PolarHBondContact O-N 3.45Å; L149-Q152 PolarHBondContact O-N 3.34Å; L149-F153 WeakPolarHBondContact O-CB 3.41Å; L149-F153 PolarHBondContact O-N 3.43Å
150S94.5Very high91.8Very high0 Ų053.7 Ų53.70%028%0.279CS..Hα-helixtrans-64.3-42.5177.4-55.70000111.7I146 T147 K148 F153 L154I146-S150 WeakPolarHBondContact O-CB 3.48Å; I146-S150 PolarHBondContact O-N 3.3Å; I146-S150 PolarHBondContact O-OG 3.16Å; T147-S150 PolarHBondContact O-N 3.11Å; K148-S150 VanDerWaalsContact C-N 3.33Å; K148-S150 PolarHBondContact O-N 3.42Å; S150-F153 PolarHBondContact O-N 2.99Å; S150-L154 WeakPolarHBondContact O-CG 3.39Å; S150-L154 PolarHBondContact O-N 3.1Å
151V93.6Very high91.5Very high33 Ų3359.5 Ų59.520%0.230%0.304CS..Hα-helixtrans-65.4-41.7175.5173.10000111.4T147 K148 L154 N155 L175T147-V151 VanDerWaalsContact O-CG2 3.27Å; T147-V151 WeakPolarHBondContact O-CG2 3.45Å; T147-V151 PolarHBondContact O-N 3.35Å; K148-V151 PolarHBondContact O-N 3.46Å; V151-L154 PolarHBondContact O-N 3.46Å; V151-N155 PolarHBondContact O-N 3.39Å; V151-N155 PolarHBondContact O-ND2 3.35Å; V151-L175 HydrophobicContact CG2-CD1 3.86Å; V151-L175 HydrophobicContact CG2-CD2 3.6Å; V151-L175 HydrophobicContact CG2-CG 4.35Å
152Q94.2Very high91.4Very high95 Ų9560.4 Ų60.444%0.44431%0.309SS..Hα-helixtrans-62.6-47176.8-175.2175.1-9.600111.5K148 L149 L154 N155 D156K148-Q152 WeakPolarHBondContact O-CB 3.39Å; K148-Q152 PolarHBondContact O-N 2.9Å; L149-Q152 PolarHBondContact O-N 3.34Å; Q152-L154 VanDerWaalsContact C-N 3.32Å; Q152-L154 PolarHBondContact O-N 3.29Å; Q152-N155 PolarHBondContact O-N 2.82Å; Q152-N155 VanDerWaalsContact O-N 3.14Å; Q152-D156 VanDerWaalsContact O-CG 3.29Å; Q152-D156 PolarHBondContact O-N 2.73Å
153F94.8Very high91.1Very high43 Ų4357.5 Ų57.519%0.18929%0.294CS..Hα-helixtrans-55.8-45.5174.6172.1-94.5000112.1L126 L128 V131 L149 S150 N155 D156 Q157L126-F153 HydrophobicContact CB-CD1 4.08Å; L126-F153 HydrophobicContact CB-CD2 3.99Å; L126-F153 HydrophobicContact CB-CE1 4.29Å; L126-F153 HydrophobicContact CB-CE2 4.21Å; L126-F153 HydrophobicContact CB-CG 3.92Å; L126-F153 HydrophobicContact CB-CZ 4.36Å; L126-F153 HydrophobicContact CD1-CB 3.68Å; L126-F153 HydrophobicContact CD1-CG 4.02Å; L128-F153 HydrophobicContact CD2-CE1 4.29Å; V131-F153 HydrophobicContact CB-CD1 4.22Å; V131-F153 HydrophobicContact CB-CE1 4.23Å; V131-F153 HydrophobicContact CG1-CE1 4.39Å; V131-F153 HydrophobicContact CG2-CD1 3.96Å; V131-F153 HydrophobicContact CG2-CE1 4.46Å; L149-F153 WeakPolarHBondContact O-CB 3.41Å; L149-F153 PolarHBondContact O-N 3.43Å; S150-F153 PolarHBondContact O-N 2.99Å; F153-N155 VanDerWaalsContact C-N 3.34Å; F153-N155 PolarHBondContact O-N 3.46Å; F153-D156 PolarHBondContact O-N 3.11Å; F153-Q157 HydrophobicContact CD2-CG 4.08Å; F153-Q157 HydrophobicContact CE1-CG 4.25Å; F153-Q157 HydrophobicContact CE2-CG 3.73Å; F153-Q157 HydrophobicContact CG-CG 4.48Å; F153-Q157 HydrophobicContact CZ-CG 3.82Å; F153-Q157 WeakPolarHBondContact O-CB 3.4Å; F153-Q157 VanDerWaalsContact O-CG 3.28Å; F153-Q157 WeakPolarHBondContact O-CG 3.42Å; F153-Q157 PolarHBondContact O-N 3.44Å; F153-Q157 VanDerWaalsContact O-N 3.12Å
154L93.9Very high90.6Very high0 Ų064.1 Ų64.10%032%0.322CS..Hα-helixtrans-59.8-43.9177.1-73.7170.8000111.9V131 L135 S150 V151 Q152 Q157 I158 I166 I169 L175 T178V131-L154 HydrophobicContact CG1-CD2 3.74Å; V131-L154 HydrophobicContact CG1-CG 4.49Å; V131-L154 HydrophobicContact CG2-CD1 4.34Å; V131-L154 HydrophobicContact CG2-CD2 4.13Å; V131-L154 HydrophobicContact CG2-CG 3.98Å; L135-L154 HydrophobicContact CD2-CD1 4.44Å; S150-L154 WeakPolarHBondContact O-CG 3.39Å; S150-L154 PolarHBondContact O-N 3.1Å; V151-L154 PolarHBondContact O-N 3.46Å; Q152-L154 VanDerWaalsContact C-N 3.32Å; Q152-L154 PolarHBondContact O-N 3.29Å; L154-Q157 PolarHBondContact O-N 3.34Å; L154-I158 WeakPolarHBondContact O-CG1 3.14Å; L154-I158 PolarHBondContact O-N 3.12Å; L154-I166 HydrophobicContact CB-CG2 4.4Å; L154-I166 HydrophobicContact CD2-CG1 4.24Å; L154-I166 HydrophobicContact CD2-CG2 4.37Å; L154-I169 HydrophobicContact CD1-CG2 3.88Å; L154-I169 HydrophobicContact CD2-CD1 4.28Å; L154-I169 HydrophobicContact CD2-CG2 4.42Å; L154-L175 HydrophobicContact CD1-CD1 3.79Å; L154-T178 HydrophobicContact CB-CG2 4.04Å
155N92.9Very high90.4Very high49 Ų4964.4 Ų64.426%0.26232%0.317SS..Hα-helixtrans-65.9-39.8179.2-70.4-21.8000112.7V151 Q152 F153 Q157 I158 T178 L181V151-N155 PolarHBondContact O-N 3.39Å; V151-N155 PolarHBondContact O-ND2 3.35Å; Q152-N155 PolarHBondContact O-N 2.82Å; Q152-N155 VanDerWaalsContact O-N 3.14Å; F153-N155 VanDerWaalsContact C-N 3.34Å; F153-N155 PolarHBondContact O-N 3.46Å; N155-Q157 VanDerWaalsContact C-N 3.3Å; N155-Q157 PolarHBondContact O-N 2.8Å; N155-I158 WeakPolarHBondContact O-CG1 3.47Å; N155-T178 VanDerWaalsContact OD1-CA 3.29Å; N155-T178 WeakPolarHBondContact OD1-CA 3.28Å; N155-T178 WeakPolarHBondContact OD1-CB 3.42Å; N155-T178 VanDerWaalsContact OD1-CG2 3.28Å; N155-T178 WeakPolarHBondContact OD1-CG2 3.48Å; N155-T178 PolarHBondContact OD1-OG1 2.8Å; N155-L181 HydrophobicContact CB-CD1 4.43Å
156D92.1Very high90.1Very high110 Ų11059.2 Ų59.259%0.58829%0.293SS*.Hα-helixtrans-72.8-24.2-177.9-67.5-17.4000112.4Q152 F153Q152-D156 VanDerWaalsContact O-CG 3.29Å; Q152-D156 PolarHBondContact O-N 2.73Å; F153-D156 PolarHBondContact O-N 3.11Å
157Q91.3Very high89.6Confident92 Ų9260.2 Ų60.243%0.4330%0.3SS..THydrogen-bonded Turntrans-95.6-1.1-177.5-66.1-61.2-5800114.3F153 L154 N155 S159 N162F153-Q157 HydrophobicContact CD2-CG 4.08Å; F153-Q157 HydrophobicContact CE1-CG 4.25Å; F153-Q157 HydrophobicContact CE2-CG 3.73Å; F153-Q157 HydrophobicContact CG-CG 4.48Å; F153-Q157 HydrophobicContact CZ-CG 3.82Å; F153-Q157 WeakPolarHBondContact O-CB 3.4Å; F153-Q157 VanDerWaalsContact O-CG 3.28Å; F153-Q157 WeakPolarHBondContact O-CG 3.42Å; F153-Q157 PolarHBondContact O-N 3.44Å; F153-Q157 VanDerWaalsContact O-N 3.12Å; L154-Q157 PolarHBondContact O-N 3.34Å; N155-Q157 VanDerWaalsContact C-N 3.3Å; N155-Q157 PolarHBondContact O-N 2.8Å; Q157-S159 PolarHBondContact O-N 3Å; Q157-N162 PolarHBondContact O-ND2 2.85Å; Q157-N162 PolarHBondContact O-OD1 3.43Å
158I90.3Very high89.1Confident18 Ų1865.4 Ų65.49%0.09232%0.32CS..  trans-62.4124.1-177.9-51.4179.3000110.6L154 N155 I166 T178 L181 A182 Y185L154-I158 WeakPolarHBondContact O-CG1 3.14Å; L154-I158 PolarHBondContact O-N 3.12Å; N155-I158 WeakPolarHBondContact O-CG1 3.47Å; I158-I166 HydrophobicContact CB-CD1 4.26Å; I158-I166 HydrophobicContact CD1-CG2 4.41Å; I158-I166 HydrophobicContact CG1-CD1 3.89Å; I158-I166 HydrophobicContact CG1-CG2 4.15Å; I158-T178 HydrophobicContact CD1-CG2 4.44Å; I158-L181 HydrophobicContact CD1-CB 3.64Å; I158-L181 HydrophobicContact CD1-CD1 4.5Å; I158-A182 HydrophobicContact CD1-CB 4.24Å; I158-A182 HydrophobicContact CG2-CB 4.21Å; I158-Y185 HydrophobicContact CB-CE2 4.14Å; I158-Y185 HydrophobicContact CG2-CD2 3.46Å; I158-Y185 VanDerWaalsContact CG2-CD2 3.46Å; I158-Y185 HydrophobicContact CG2-CE2 3.37Å
159S87.2Confident88.7Confident38 Ų3858.2 Ų58.227%0.26629%0.288SS..  trans-146.2168.6177.371.90000111.5Q157 Q161 N162 Y163Q157-S159 PolarHBondContact O-N 3Å; S159-Q161 PolarHBondContact O-N 3.03Å; S159-Q161 VanDerWaalsContact O-N 3.09Å; S159-Q161 PolarHBondContact OG-N 2.8Å; S159-N162 PolarHBondContact N-OD1 3.22Å; S159-N162 PolarHBondContact O-N 2.94Å; S159-N162 VanDerWaalsContact O-N 3.14Å; S159-N162 PolarHBondContact O-OD1 3.02Å; S159-N162 PolarHBondContact OG-ND2 2.75Å; S159-N162 PolarHBondContact OG-OD1 3.35Å; S159-N162 VanDerWaalsContact OG-OD1 3.06Å; S159-Y163 WeakPolarHBondContact O-CB 3.43Å; S159-Y163 PolarHBondContact O-N 2.98Å
160V81.6Confident88.4Confident81 Ų8155.1 Ų55.149%0.49127%0.273SS..THydrogen-bonded Turntrans-54.9-28.4175.5-1740000112.3Y163 Y185V160-Y163 VanDerWaalsContact O-CD1 3.31Å; V160-Y163 WeakPolarHBondContact O-CD1 3.5Å; V160-Y163 WeakPolarHBondContact O-CE1 3.43Å; V160-Y185 HydrophobicContact CG2-CD1 3.97Å; V160-Y185 HydrophobicContact CG2-CE1 4.27Å
161Q83.6Confident87.6Confident192 Ų19257 Ų5790%0.89729%0.288SS*.THydrogen-bonded Turntrans-83.4-26.2-177.5-64.51783.800113.7S159S159-Q161 PolarHBondContact O-N 3.03Å; S159-Q161 VanDerWaalsContact O-N 3.09Å; S159-Q161 PolarHBondContact OG-N 2.8Å
162N86.9Confident86.9Confident20 Ų2058.4 Ų58.411%0.10729%0.294CS..THydrogen-bonded Turntrans-126.3-2.8-168.965.519.7000114.7L128 Q157 S159 K164 Q165 I166L128-N162 HydrophobicContact CD1-CB 3.95Å; Q157-N162 PolarHBondContact O-ND2 2.85Å; Q157-N162 PolarHBondContact O-OD1 3.43Å; S159-N162 PolarHBondContact N-OD1 3.22Å; S159-N162 PolarHBondContact O-N 2.94Å; S159-N162 VanDerWaalsContact O-N 3.14Å; S159-N162 PolarHBondContact O-OD1 3.02Å; S159-N162 PolarHBondContact OG-ND2 2.75Å; S159-N162 PolarHBondContact OG-OD1 3.35Å; S159-N162 VanDerWaalsContact OG-OD1 3.06Å; N162-K164 PolarHBondContact O-N 3.5Å; N162-K164 VanDerWaalsContact O-N 3.14Å; N162-Q165 PolarHBondContact O-N 3.02Å; N162-I166 HydrophobicContact CB-CD1 4.47Å; N162-I166 PolarHBondContact O-N 3.39Å; N162-I166 WeakPolarHBondContact OD1-CD1 3.34Å
163Y86.8Confident86.3Confident7 Ų754.9 Ų54.93%0.02728%0.278CS..Hα-helixtrans-57.4-33.1-17878.5-88.4000112.6S159 V160 I166 C167 L186 D189S159-Y163 WeakPolarHBondContact O-CB 3.43Å; S159-Y163 PolarHBondContact O-N 2.98Å; V160-Y163 VanDerWaalsContact O-CD1 3.31Å; V160-Y163 WeakPolarHBondContact O-CD1 3.5Å; V160-Y163 WeakPolarHBondContact O-CE1 3.43Å; Y163-I166 PolarHBondContact O-N 3.34Å; Y163-C167 VanDerWaalsContact O-CB 3.29Å; Y163-C167 WeakPolarHBondContact O-CB 3.45Å; Y163-C167 PolarHBondContact O-N 3.5Å; Y163-C167 PolarHBondContact O-SG 3.23Å; Y163-C167 VanDerWaalsContact O-SG 3.39Å; Y163-L186 HydrophobicContact CD2-CB 4.28Å; Y163-L186 HydrophobicContact CE2-CB 3.73Å; Y163-L186 HydrophobicContact CE2-CD1 3.99Å; Y163-L186 HydrophobicContact CE2-CG 4.45Å; Y163-D189 WeakPolarHBondContact CE1-OD2 3.39Å; Y163-D189 PolarHBondContact OH-OD2 3.22Å
164K83.1Confident85.7Confident142 Ų14254.5 Ų54.562%0.61729%0.286SS*.Hα-helixtrans-62.5-44.8177.2-63.8-178.3-176.1175.10111.8N162 K168N162-K164 PolarHBondContact O-N 3.5Å; N162-K164 VanDerWaalsContact O-N 3.14Å; K164-K168 PolarHBondContact O-N 2.8Å; K164-K168 VanDerWaalsContact O-N 3.11Å
165Q84.8Confident85.4Confident79 Ų7955.4 Ų55.437%0.36929%0.29SS..Hα-helixtrans-66-44.5176.6-177.1178.91.700110.5L128 N162 C167 K168 I169L128-Q165 PolarHBondContact O-NE2 3.24Å; N162-Q165 PolarHBondContact O-N 3.02Å; Q165-C167 PolarHBondContact O-N 2.98Å; Q165-K168 WeakPolarHBondContact O-CB 3.39Å; Q165-K168 PolarHBondContact O-N 3.41Å; Q165-K168 VanDerWaalsContact O-N 3.16Å; Q165-I169 HydrophobicContact CG-CD1 4.1Å; Q165-I169 WeakPolarHBondContact O-CG1 3.46Å; Q165-I169 PolarHBondContact O-N 3.36Å
166I87.6Confident84.9Confident0 Ų057.9 Ų57.90%030%0.304CS..Hα-helixtrans-65.2-39.8179.2-63.6169.9000111.2L128 L154 I158 N162 Y163 K168 I169 A170 T178 A182L128-I166 HydrophobicContact CD2-CD1 4.31Å; L128-I166 HydrophobicContact CD2-CG1 4.22Å; L154-I166 HydrophobicContact CB-CG2 4.4Å; L154-I166 HydrophobicContact CD2-CG1 4.24Å; L154-I166 HydrophobicContact CD2-CG2 4.37Å; I158-I166 HydrophobicContact CB-CD1 4.26Å; I158-I166 HydrophobicContact CD1-CG2 4.41Å; I158-I166 HydrophobicContact CG1-CD1 3.89Å; I158-I166 HydrophobicContact CG1-CG2 4.15Å; N162-I166 HydrophobicContact CB-CD1 4.47Å; N162-I166 PolarHBondContact O-N 3.39Å; N162-I166 WeakPolarHBondContact OD1-CD1 3.34Å; Y163-I166 PolarHBondContact O-N 3.34Å; I166-K168 VanDerWaalsContact C-N 3.32Å; I166-K168 PolarHBondContact O-N 3.32Å; I166-I169 PolarHBondContact O-N 2.99Å; I166-A170 WeakPolarHBondContact O-CB 3.46Å; I166-A170 PolarHBondContact O-N 3.3Å; I166-T178 HydrophobicContact CG2-CG2 3.65Å; I166-A182 HydrophobicContact CG2-CB 4.42Å
167C83.4Confident84.7Confident21 Ų2158.3 Ų58.314%0.14230%0.302CS..Hα-helixtrans-57.4-43.9171.9-84.90000111.8Y163 Q165 A170 A171 A182Y163-C167 VanDerWaalsContact O-CB 3.29Å; Y163-C167 WeakPolarHBondContact O-CB 3.45Å; Y163-C167 PolarHBondContact O-N 3.5Å; Y163-C167 PolarHBondContact O-SG 3.23Å; Y163-C167 VanDerWaalsContact O-SG 3.39Å; Q165-C167 PolarHBondContact O-N 2.98Å; C167-A170 PolarHBondContact O-N 2.92Å; C167-A171 WeakPolarHBondContact O-CB 2.79Å; C167-A171 PolarHBondContact O-N 3.04Å; C167-A182 WeakPolarHBondContact SG-CB 3.42Å
168K82.1Confident84.5Confident136 Ų13654 Ų5459%0.59128%0.282SS*.Hα-helixtrans-62.6-49.4177.7-175-176.1175.7-172.20111.2K164 Q165 I166 A170 A171 L172K164-K168 PolarHBondContact O-N 2.8Å; K164-K168 VanDerWaalsContact O-N 3.11Å; Q165-K168 WeakPolarHBondContact O-CB 3.39Å; Q165-K168 PolarHBondContact O-N 3.41Å; Q165-K168 VanDerWaalsContact O-N 3.16Å; I166-K168 VanDerWaalsContact C-N 3.32Å; I166-K168 PolarHBondContact O-N 3.32Å; K168-A170 PolarHBondContact O-N 3.03Å; K168-A171 PolarHBondContact O-N 3.47Å; K168-L172 HydrophobicContact CG-CD1 4.08Å; K168-L172 WeakPolarHBondContact O-CG 3.36Å; K168-L172 PolarHBondContact O-N 3.35Å
169I84.7Confident84.2Confident1 Ų154.1 Ų54.11%0.00528%0.282CS..Hα-helixtrans-60.4-46.7177.6-64.5169.2000110.1V131 E132 L135 L154 Q165 I166 A171 L172 H173V131-I169 HydrophobicContact CG1-CD1 4.09Å; E132-I169 HydrophobicContact CB-CD1 4.34Å; E132-I169 HydrophobicContact CB-CG1 4.27Å; E132-I169 HydrophobicContact CG-CG1 4.41Å; L135-I169 HydrophobicContact CD2-CG2 4.3Å; L154-I169 HydrophobicContact CD1-CG2 3.88Å; L154-I169 HydrophobicContact CD2-CD1 4.28Å; L154-I169 HydrophobicContact CD2-CG2 4.42Å; Q165-I169 HydrophobicContact CG-CD1 4.1Å; Q165-I169 WeakPolarHBondContact O-CG1 3.46Å; Q165-I169 PolarHBondContact O-N 3.36Å; I166-I169 PolarHBondContact O-N 2.99Å; I169-A171 VanDerWaalsContact C-N 3.33Å; I169-A171 PolarHBondContact O-N 3.5Å; I169-L172 PolarHBondContact O-N 2.94Å; I169-H173 PolarHBondContact O-CD2 3.16Å; I169-H173 VanDerWaalsContact O-CD2 3.24Å; I169-H173 PolarHBondContact O-N 3.43Å
170A86.5Confident84Confident1 Ų158 Ų581%0.00829%0.294CS..Hα-helixtrans-60-41.9179.200000112.2I166 C167 K168 H173 G174 L175 T178 K179I166-A170 WeakPolarHBondContact O-CB 3.46Å; I166-A170 PolarHBondContact O-N 3.3Å; C167-A170 PolarHBondContact O-N 2.92Å; K168-A170 PolarHBondContact O-N 3.03Å; A170-H173 PolarHBondContact O-N 3.47Å; A170-G174 PolarHBondContact O-N 3.48Å; A170-L175 HydrophobicContact CB-CB 3.98Å; A170-L175 PolarHBondContact O-N 2.82Å; A170-T178 HydrophobicContact CB-CG2 4.12Å; A170-K179 HydrophobicContact CB-CB 3.92Å
171A77.6Confident84.2Confident38 Ų3857.3 Ų57.331%0.31429%0.287SS..Hα-helixtrans-64.9-46.1175.500000112.3C167 K168 I169 H173 G174C167-A171 WeakPolarHBondContact O-CB 2.79Å; C167-A171 PolarHBondContact O-N 3.04Å; K168-A171 PolarHBondContact O-N 3.47Å; I169-A171 VanDerWaalsContact C-N 3.33Å; I169-A171 PolarHBondContact O-N 3.5Å; A171-H173 PolarHBondContact O-N 3.49Å; A171-G174 PolarHBondContact O-N 3.12Å
172L79.1Confident84.3Confident64 Ų6448.2 Ų48.234%0.33525%0.245SC..Hα-helixtrans-63.1-27.9-179.4-75.2171000113.4E132 K168 I169E132-L172 WeakPolarHBondContact OE1-CD1 3.33Å; K168-L172 HydrophobicContact CG-CD1 4.08Å; K168-L172 WeakPolarHBondContact O-CG 3.36Å; K168-L172 PolarHBondContact O-N 3.35Å; I169-L172 PolarHBondContact O-N 2.94Å
173H82.9Confident84.1Confident21 Ų2149.6 Ų49.610%0.09725%0.252CS..Hα-helixtrans-108.84.2-177.6-68-68.7000114.4L135 S136 K139 I169 A170 A171 L175L135-H173 HydrophobicContact CD2-CB 3.69Å; L135-H173 VanDerWaalsContact CD2-CG 3.45Å; L135-H173 HydrophobicContact CG-CB 4.41Å; S136-H173 PolarHBondContact OG-CE1 3.17Å; K139-H173 PolarHBondContact NZ-O 3.17Å; I169-H173 PolarHBondContact O-CD2 3.16Å; I169-H173 VanDerWaalsContact O-CD2 3.24Å; I169-H173 PolarHBondContact O-N 3.43Å; A170-H173 PolarHBondContact O-N 3.47Å; A171-H173 PolarHBondContact O-N 3.49Å; H173-L175 HydrophobicContact CB-CD1 4.41Å; H173-L175 HydrophobicContact CB-CG 4.05Å
174G82.1Confident84Confident35 Ų3555.7 Ų55.736%0.36128%0.279SS..THydrogen-bonded Turntrans6146.8-178.800000113.1A170 A171A170-G174 PolarHBondContact O-N 3.48Å; A171-G174 PolarHBondContact O-N 3.12Å
175L86.4Confident84Confident18 Ų1852.4 Ų52.49%0.09426%0.263CS..  trans-100.277.5176.8-54.6-179.8000110.5L135 V151 L154 A170 H173 E177 T178 K179L135-L175 HydrophobicContact CD2-CD1 3.79Å; V151-L175 HydrophobicContact CG2-CD1 3.86Å; V151-L175 HydrophobicContact CG2-CD2 3.6Å; V151-L175 HydrophobicContact CG2-CG 4.35Å; L154-L175 HydrophobicContact CD1-CD1 3.79Å; A170-L175 HydrophobicContact CB-CB 3.98Å; A170-L175 PolarHBondContact O-N 2.82Å; H173-L175 HydrophobicContact CB-CD1 4.41Å; H173-L175 HydrophobicContact CB-CG 4.05Å; L175-E177 PolarHBondContact O-N 3.18Å; L175-T178 PolarHBondContact O-N 3.48Å; L175-K179 WeakPolarHBondContact O-CB 3.35Å; L175-K179 PolarHBondContact O-N 2.82Å
176D82.7Confident83.9Confident102 Ų10249.6 Ų49.655%0.54525%0.25SS..Hα-helixtrans-62.1-39.9-169.8-60.4-45.9000113.9K179 K180D176-K179 WeakPolarHBondContact O-CB 3.23Å; D176-K179 PolarHBondContact O-N 2.89Å; D176-K180 VanDerWaalsContact O-CG 3.31Å; D176-K180 WeakPolarHBondContact O-CG 3.37Å; D176-K180 PolarHBondContact O-N 3.26Å
177E87.6Confident83.8Confident119 Ų11952.2 Ų52.256%0.55627%0.266SS*.Hα-helixtrans-69.5-43.7-179.9-66.5-54.1126.400112.4L175 K179 K180 L181L175-E177 PolarHBondContact O-N 3.18Å; E177-K179 VanDerWaalsContact C-N 3.27Å; E177-K179 PolarHBondContact O-N 2.86Å; E177-K180 PolarHBondContact O-N 3.37Å; E177-K180 IonicContact OE1-NZ 3.7Å; E177-K180 PolarHBondContact OE1-NZ 3.4Å; E177-L181 WeakPolarHBondContact O-CG 3.27Å; E177-L181 PolarHBondContact O-N 3.18Å
178T88.1Confident83.8Confident2 Ų256.6 Ų56.61%0.01229%0.285CS..Hα-helixtrans-59.6-42.2173.7-57.40000110.9L154 N155 I158 I166 A170 L175 L181 A182L154-T178 HydrophobicContact CB-CG2 4.04Å; N155-T178 VanDerWaalsContact OD1-CA 3.29Å; N155-T178 WeakPolarHBondContact OD1-CA 3.28Å; N155-T178 WeakPolarHBondContact OD1-CB 3.42Å; N155-T178 VanDerWaalsContact OD1-CG2 3.28Å; N155-T178 WeakPolarHBondContact OD1-CG2 3.48Å; N155-T178 PolarHBondContact OD1-OG1 2.8Å; I158-T178 HydrophobicContact CD1-CG2 4.44Å; I166-T178 HydrophobicContact CG2-CG2 3.65Å; A170-T178 HydrophobicContact CB-CG2 4.12Å; L175-T178 PolarHBondContact O-N 3.48Å; T178-L181 PolarHBondContact O-N 2.82Å; T178-A182 WeakPolarHBondContact O-CB 3.29Å; T178-A182 PolarHBondContact O-N 3.36Å
179K83.3Confident84Confident20 Ų2052.1 Ų52.19%0.08727%0.267CS..Hα-helixtrans-61.8-45.9176.1-170.1-173.9-178.21250111.8A170 L175 D176 E177 L181 A182 N183 E210A170-K179 HydrophobicContact CB-CB 3.92Å; L175-K179 WeakPolarHBondContact O-CB 3.35Å; L175-K179 PolarHBondContact O-N 2.82Å; D176-K179 WeakPolarHBondContact O-CB 3.23Å; D176-K179 PolarHBondContact O-N 2.89Å; E177-K179 VanDerWaalsContact C-N 3.27Å; E177-K179 PolarHBondContact O-N 2.86Å; K179-L181 VanDerWaalsContact C-N 3.31Å; K179-L181 PolarHBondContact O-N 3.28Å; K179-A182 PolarHBondContact O-N 3.26Å; K179-N183 WeakPolarHBondContact O-CB 3.49Å; K179-N183 PolarHBondContact O-N 3.21Å; K179-N183 PolarHBondContact O-ND2 2.82Å; K179-E210 WeakPolarHBondContact CE-OE1 3.11Å; K179-E210 VanDerWaalsContact NZ-CG 3.33Å; K179-E210 IonicContact NZ-OE1 2.82Å; K179-E210 PolarHBondContact NZ-OE1 3.24Å; K179-E210 IonicContact NZ-OE2 3.78Å
180K83.4Confident84.2Confident118 Ų11852.2 Ų52.251%0.51327%0.268SS..Hα-helixtrans-58.8-41.4176.3-74.6171.2-170.5169.20112.1D176 E177 N183 K184D176-K180 VanDerWaalsContact O-CG 3.31Å; D176-K180 WeakPolarHBondContact O-CG 3.37Å; D176-K180 PolarHBondContact O-N 3.26Å; E177-K180 PolarHBondContact O-N 3.37Å; E177-K180 IonicContact OE1-NZ 3.7Å; E177-K180 PolarHBondContact OE1-NZ 3.4Å; K180-N183 PolarHBondContact O-N 2.99Å; K180-K184 PolarHBondContact O-N 3.2Å
181L85.9Confident84.5Confident68 Ų6854 Ų5436%0.35628%0.277SS..Hα-helixtrans-64.9-46.8176.9-69.9174000111.6N155 I158 E177 T178 K179 N183 K184N155-L181 HydrophobicContact CB-CD1 4.43Å; I158-L181 HydrophobicContact CD1-CB 3.64Å; I158-L181 HydrophobicContact CD1-CD1 4.5Å; E177-L181 WeakPolarHBondContact O-CG 3.27Å; E177-L181 PolarHBondContact O-N 3.18Å; T178-L181 PolarHBondContact O-N 2.82Å; K179-L181 VanDerWaalsContact C-N 3.31Å; K179-L181 PolarHBondContact O-N 3.28Å; L181-N183 VanDerWaalsContact C-N 3.31Å; L181-N183 PolarHBondContact O-N 2.99Å; L181-K184 WeakPolarHBondContact O-CB 3.42Å; L181-K184 PolarHBondContact O-N 3.38Å; L181-K184 VanDerWaalsContact O-N 3.17Å
182A85.1Confident85.2Confident0 Ų058.8 Ų58.80%030%0.297CS..Hα-helixtrans-66-33.2178.400000112.6I158 I166 C167 T178 K179 K184 Y185 L186I158-A182 HydrophobicContact CD1-CB 4.24Å; I158-A182 HydrophobicContact CG2-CB 4.21Å; I166-A182 HydrophobicContact CG2-CB 4.42Å; C167-A182 WeakPolarHBondContact SG-CB 3.42Å; T178-A182 WeakPolarHBondContact O-CB 3.29Å; T178-A182 PolarHBondContact O-N 3.36Å; K179-A182 PolarHBondContact O-N 3.26Å; A182-K184 PolarHBondContact O-N 3.06Å; A182-Y185 PolarHBondContact O-N 3.39Å; A182-L186 PolarHBondContact O-N 3.2Å
183N83.2Confident85.8Confident50 Ų5057.6 Ų57.627%0.26729%0.291SS..Hα-helixtrans-63.6-20.6174.2-76.8-13.9000113.7K179 K180 L181 L186 V187K179-N183 WeakPolarHBondContact O-CB 3.49Å; K179-N183 PolarHBondContact O-N 3.21Å; K179-N183 PolarHBondContact O-ND2 2.82Å; K180-N183 PolarHBondContact O-N 2.99Å; L181-N183 VanDerWaalsContact C-N 3.31Å; L181-N183 PolarHBondContact O-N 2.99Å; N183-L186 WeakPolarHBondContact O-CB 3.46Å; N183-L186 PolarHBondContact O-N 2.83Å; N183-V187 WeakPolarHBondContact O-CG2 3.21Å; N183-V187 PolarHBondContact O-N 2.96Å
184K83.6Confident86.4Confident134 Ų13460.2 Ų60.258%0.58331%0.305SS*.Hα-helixtrans-64.6-43174.2-67-178.5177.9179.20111.6K180 L181 A182 L186 V187 E188K180-K184 PolarHBondContact O-N 3.2Å; L181-K184 WeakPolarHBondContact O-CB 3.42Å; L181-K184 PolarHBondContact O-N 3.38Å; L181-K184 VanDerWaalsContact O-N 3.17Å; A182-K184 PolarHBondContact O-N 3.06Å; K184-L186 VanDerWaalsContact C-N 3.31Å; K184-L186 PolarHBondContact O-N 3.41Å; K184-V187 PolarHBondContact O-N 3.29Å; K184-E188 PolarHBondContact O-N 2.83Å
185Y84Confident87.1Confident74 Ų7461.1 Ų61.129%0.2930%0.299SS..Hα-helixtrans-66.8-34.2176.2-67.8-82.2000112.2I158 V160 A182 V187 E188 D189I158-Y185 HydrophobicContact CB-CE2 4.14Å; I158-Y185 HydrophobicContact CG2-CD2 3.46Å; I158-Y185 VanDerWaalsContact CG2-CD2 3.46Å; I158-Y185 HydrophobicContact CG2-CE2 3.37Å; V160-Y185 HydrophobicContact CG2-CD1 3.97Å; V160-Y185 HydrophobicContact CG2-CE1 4.27Å; A182-Y185 PolarHBondContact O-N 3.39Å; Y185-V187 VanDerWaalsContact C-N 3.3Å; Y185-V187 PolarHBondContact O-N 2.67Å; Y185-E188 PolarHBondContact O-N 2.95Å; Y185-D189 PolarHBondContact O-N 3.46Å
186L83.4Confident87.6Confident19 Ų1967.6 Ų67.610%0.09933%0.329CS..Hα-helixtrans-58.7-43.3172.3177.664000111.4Y163 A182 N183 K184 D189 V190 V209 M218Y163-L186 HydrophobicContact CD2-CB 4.28Å; Y163-L186 HydrophobicContact CE2-CB 3.73Å; Y163-L186 HydrophobicContact CE2-CD1 3.99Å; Y163-L186 HydrophobicContact CE2-CG 4.45Å; A182-L186 PolarHBondContact O-N 3.2Å; N183-L186 WeakPolarHBondContact O-CB 3.46Å; N183-L186 PolarHBondContact O-N 2.83Å; K184-L186 VanDerWaalsContact C-N 3.31Å; K184-L186 PolarHBondContact O-N 3.41Å; L186-D189 PolarHBondContact O-N 3.35Å; L186-V190 HydrophobicContact CD1-CG2 4.23Å; L186-V190 HydrophobicContact CG-CG2 4.42Å; L186-V190 WeakPolarHBondContact O-CG2 3.12Å; L186-V190 PolarHBondContact O-N 3.35Å; L186-V209 HydrophobicContact CD2-CG1 3.5Å; L186-M218 HydrophobicContact CD1-CE 4.22Å; L186-M218 HydrophobicContact CD2-CE 3.88Å; L186-M218 HydrophobicContact CG-CE 3.8Å
187V83.9Confident88.2Confident55 Ų5567.2 Ų67.233%0.33332%0.324SS..Hα-helixtrans-62.2-45178.2174.70000110.6N183 K184 Y185 D189 V190 L191 L221N183-V187 WeakPolarHBondContact O-CG2 3.21Å; N183-V187 PolarHBondContact O-N 2.96Å; K184-V187 PolarHBondContact O-N 3.29Å; Y185-V187 VanDerWaalsContact C-N 3.3Å; Y185-V187 PolarHBondContact O-N 2.67Å; V187-D189 PolarHBondContact O-N 3.27Å; V187-V190 WeakPolarHBondContact O-CB 3.49Å; V187-V190 PolarHBondContact O-N 2.7Å; V187-L191 WeakPolarHBondContact O-CG 3.28Å; V187-L191 PolarHBondContact O-N 3.43Å; V187-L221 HydrophobicContact CG1-CD1 4.19Å
188E85.1Confident88.6Confident113 Ų11361.5 Ų61.553%0.52830%0.297SS..Hα-helixtrans-59.5-46.8177.9-68.5178.6178.900112.3K184 Y185 V190 L191K184-E188 PolarHBondContact O-N 2.83Å; Y185-E188 PolarHBondContact O-N 2.95Å; E188-V190 VanDerWaalsContact C-N 3.26Å; E188-V190 PolarHBondContact O-N 2.73Å; E188-L191 PolarHBondContact O-N 3.23Å
189D85.8Confident89Confident42 Ų4261.8 Ų61.823%0.22530%0.299CS..Hα-helixtrans-58.1-40.4175.7-9013000111.9Y163 Y185 L186 V187 L191 L192Y163-D189 WeakPolarHBondContact CE1-OD2 3.39Å; Y163-D189 PolarHBondContact OH-OD2 3.22Å; Y185-D189 PolarHBondContact O-N 3.46Å; L186-D189 PolarHBondContact O-N 3.35Å; V187-D189 PolarHBondContact O-N 3.27Å; D189-L191 VanDerWaalsContact C-N 3.34Å; D189-L191 PolarHBondContact O-N 3.28Å; D189-L192 PolarHBondContact O-N 2.96Å
190V89.1Confident89.5Confident4 Ų463.7 Ų63.72%0.02432%0.319CS..Hα-helixtrans-64.4-40-177.9169.40000111.5L186 V187 E188 L192 L193 M198 M201 M218 W222L186-V190 HydrophobicContact CD1-CG2 4.23Å; L186-V190 HydrophobicContact CG-CG2 4.42Å; L186-V190 WeakPolarHBondContact O-CG2 3.12Å; L186-V190 PolarHBondContact O-N 3.35Å; V187-V190 WeakPolarHBondContact O-CB 3.49Å; V187-V190 PolarHBondContact O-N 2.7Å; E188-V190 VanDerWaalsContact C-N 3.26Å; E188-V190 PolarHBondContact O-N 2.73Å; V190-L192 PolarHBondContact O-N 2.97Å; V190-L192 VanDerWaalsContact O-N 3.17Å; V190-L193 HydrophobicContact CG2-CD1 4.45Å; V190-L193 WeakPolarHBondContact O-CB 3.39Å; V190-L193 WeakPolarHBondContact O-CG 3.4Å; V190-L193 PolarHBondContact O-N 3.39Å; V190-L193 VanDerWaalsContact O-N 3.11Å; V190-M198 HydrophobicContact CG1-SD 4.18Å; V190-M201 HydrophobicContact CG1-CE 4Å; V190-M201 HydrophobicContact CG2-CE 4.12Å; V190-M201 HydrophobicContact CG2-SD 3.76Å; V190-M218 HydrophobicContact CB-CE 4.2Å; V190-M218 HydrophobicContact CG1-CB 4.44Å; V190-M218 HydrophobicContact CG1-CE 4.31Å; V190-M218 HydrophobicContact CG2-CE 3.19Å; V190-W222 HydrophobicContact CG1-CB 4.43Å
191L91.9Very high89.9Confident38 Ų3859.3 Ų59.320%0.19930%0.301CS..Hα-helixtrans-61.4-26.3-179.4-63.2-178.4000113V187 E188 D189 L221 H225 R230V187-L191 WeakPolarHBondContact O-CG 3.28Å; V187-L191 PolarHBondContact O-N 3.43Å; E188-L191 PolarHBondContact O-N 3.23Å; D189-L191 VanDerWaalsContact C-N 3.34Å; D189-L191 PolarHBondContact O-N 3.28Å; L191-L221 HydrophobicContact CD2-CB 4.35Å; L191-H225 HydrophobicContact CD2-CB 3.85Å; L191-R230 PolarHBondContact O-NH1 2.96Å; L191-R230 VanDerWaalsContact O-NH1 3.17Å; L191-R230 PolarHBondContact O-NH2 2.85Å; L191-R230 VanDerWaalsContact O-NH2 3.07Å
192L91.8Very high90.2Very high139 Ų13956.1 Ų56.173%0.72828%0.284SS*.THydrogen-bonded Turntrans-84.8-11.4-179.8-60.6176.2000114D189 V190D189-L192 PolarHBondContact O-N 2.96Å; V190-L192 PolarHBondContact O-N 2.97Å; V190-L192 VanDerWaalsContact O-N 3.17Å
193L93.2Very high90.5Very high39 Ų3960 Ų6020%0.20430%0.304CS..  trans-67.4146-177.4-60.1-179.2000112V190 E197 M201 W222V190-L193 HydrophobicContact CG2-CD1 4.45Å; V190-L193 WeakPolarHBondContact O-CB 3.39Å; V190-L193 WeakPolarHBondContact O-CG 3.4Å; V190-L193 PolarHBondContact O-N 3.39Å; V190-L193 VanDerWaalsContact O-N 3.11Å; L193-E197 WeakPolarHBondContact CA-OE2 3.44Å; L193-E197 HydrophobicContact CB-CB 4.02Å; L193-E197 HydrophobicContact CD2-CB 4.03Å; L193-E197 HydrophobicContact CG-CB 4.41Å; L193-M201 HydrophobicContact CD1-CE 3.99Å; L193-M201 HydrophobicContact CD1-SD 4.19Å; L193-W222 PolarHBondContact O-NE1 2.9Å
194N95.1Very high90.8Very high75 Ų7559.1 Ų59.140%0.40130%0.304SS..  trans-79.7174.5164.57353.4000111.4E196 E197 M198N194-E196 PolarHBondContact O-N 2.71Å; N194-E196 WeakPolarHBondContact OD1-CA 3.28Å; N194-E196 WeakPolarHBondContact OD1-CB 3.4Å; N194-E196 PolarHBondContact OD1-N 3.19Å; N194-E197 PolarHBondContact N-OE2 2.77Å; N194-E197 WeakPolarHBondContact ND2-CG 3.34Å; N194-E197 PolarHBondContact ND2-OE1 2.93Å; N194-E197 PolarHBondContact ND2-OE2 3.31Å; N194-E197 PolarHBondContact O-N 3.25Å; N194-E197 PolarHBondContact OD1-N 3.38Å; N194-M198 WeakPolarHBondContact O-CB 3.42Å; N194-M198 PolarHBondContact O-N 3.46Å
195F96.1Very high91Very high54 Ų5456.9 Ų56.924%0.23730%0.298CS..Hα-helixtrans-61-40.2-177.3173.3-108.9000113.7M198 C199 W222 Y233 D236 L237F195-M198 PolarHBondContact O-N 3.29Å; F195-C199 VanDerWaalsContact CE2-SG 3.56Å; F195-C199 WeakPolarHBondContact CZ-SG 3.19Å; F195-C199 WeakPolarHBondContact O-CB 3.43Å; F195-C199 PolarHBondContact O-N 2.56Å; F195-C199 PolarHBondContact O-SG 3.41Å; F195-W222 HydrophobicContact CB-CH2 4.26Å; F195-W222 HydrophobicContact CD2-CH2 4.37Å; F195-Y233 HydrophobicContact CB-CD2 4.34Å; F195-Y233 HydrophobicContact CB-CE1 4.48Å; F195-Y233 HydrophobicContact CB-CE2 4.03Å; F195-Y233 HydrophobicContact CD1-CD1 4.28Å; F195-Y233 HydrophobicContact CD1-CE1 4.04Å; F195-Y233 AromaticContact CD2-CD1 3.5Å; F195-Y233 HydrophobicContact CD2-CD1 3.5Å; F195-Y233 VanDerWaalsContact CD2-CD1 3.5Å; F195-Y233 AromaticContact CD2-CD2 3.81Å; F195-Y233 HydrophobicContact CD2-CD2 3.81Å; F195-Y233 AromaticContact CD2-CE1 3.97Å; F195-Y233 HydrophobicContact CD2-CE1 3.97Å; F195-Y233 HydrophobicContact CD2-CE2 4.24Å; F195-Y233 AromaticContact CD2-CG 3.43Å; F195-Y233 HydrophobicContact CD2-CG 3.43Å; F195-Y233 VanDerWaalsContact CD2-CG 3.43Å; F195-Y233 HydrophobicContact CE1-CD1 4.23Å; F195-Y233 HydrophobicContact CE1-CE1 4.24Å; F195-Y233 AromaticContact CE2-CD1 3.45Å; F195-Y233 HydrophobicContact CE2-CD1 3.45Å; F195-Y233 VanDerWaalsContact CE2-CD1 3.45Å; F195-Y233 HydrophobicContact CE2-CD2 4.47Å; F195-Y233 HydrophobicContact CE2-CE1 4.18Å; F195-Y233 AromaticContact CE2-CG 3.64Å; F195-Y233 HydrophobicContact CE2-CG 3.64Å; F195-Y233 AromaticContact CG-CD1 3.92Å; F195-Y233 HydrophobicContact CG-CD1 3.92Å; F195-Y233 HydrophobicContact CG-CD2 4.24Å; F195-Y233 AromaticContact CG-CE1 3.89Å; F195-Y233 HydrophobicContact CG-CE1 3.89Å; F195-Y233 HydrophobicContact CG-CE2 4.19Å; F195-Y233 HydrophobicContact CG-CG 4.12Å; F195-Y233 AromaticContact CZ-CD1 3.82Å; F195-Y233 HydrophobicContact CZ-CD1 3.82Å; F195-Y233 HydrophobicContact CZ-CE1 4.3Å; F195-Y233 HydrophobicContact CZ-CG 4.46Å; F195-D236 HydrophobicContact CZ-CB 4.27Å; F195-L237 HydrophobicContact CD2-CD2 4.16Å; F195-L237 HydrophobicContact CE2-CD2 3.85Å; F195-L237 HydrophobicContact CE2-CG 4.3Å
196E97.1Very high90.9Very high154 Ų15457.3 Ų57.372%0.7231%0.31SS*.Hα-helixtrans-69.1-41.9-179.4-63.4-176.8172.900111.2N194 C199 A200N194-E196 PolarHBondContact O-N 2.71Å; N194-E196 WeakPolarHBondContact OD1-CA 3.28Å; N194-E196 WeakPolarHBondContact OD1-CB 3.4Å; N194-E196 PolarHBondContact OD1-N 3.19Å; E196-C199 WeakPolarHBondContact O-CB 3.43Å; E196-C199 PolarHBondContact O-N 3.17Å; E196-A200 WeakPolarHBondContact O-CB 3.3Å; E196-A200 PolarHBondContact O-N 3.38Å
197E95.4Very high90.9Very high94 Ų9457.7 Ų57.744%0.43931%0.314SS..Hα-helixtrans-64.7-41.1175.4-68.3168.8156.500111.7L193 N194 A200 M201L193-E197 WeakPolarHBondContact CA-OE2 3.44Å; L193-E197 HydrophobicContact CB-CB 4.02Å; L193-E197 HydrophobicContact CD2-CB 4.03Å; L193-E197 HydrophobicContact CG-CB 4.41Å; N194-E197 PolarHBondContact N-OE2 2.77Å; N194-E197 WeakPolarHBondContact ND2-CG 3.34Å; N194-E197 PolarHBondContact ND2-OE1 2.93Å; N194-E197 PolarHBondContact ND2-OE2 3.31Å; N194-E197 PolarHBondContact O-N 3.25Å; N194-E197 PolarHBondContact OD1-N 3.38Å; E197-A200 PolarHBondContact O-N 3.4Å; E197-M201 WeakPolarHBondContact O-CB 3.38Å; E197-M201 PolarHBondContact O-N 3.36Å
198M95.6Very high90.6Very high0 Ų058 Ų580%032%0.317CS..Hα-helixtrans-60.9-45.4173.7-174.669.3-161.600110.9V190 N194 F195 A200 M201 L202 S219 W222 L237V190-M198 HydrophobicContact CG1-SD 4.18Å; N194-M198 WeakPolarHBondContact O-CB 3.42Å; N194-M198 PolarHBondContact O-N 3.46Å; F195-M198 PolarHBondContact O-N 3.29Å; M198-A200 PolarHBondContact O-N 3.39Å; M198-M201 HydrophobicContact CE-CE 3.5Å; M198-M201 PolarHBondContact O-N 3.24Å; M198-M201 HydrophobicContact SD-CE 3.2Å; M198-M201 WeakPolarHBondContact SD-CE 3.49Å; M198-L202 HydrophobicContact CE-CD1 4.14Å; M198-L202 HydrophobicContact CE-CD2 4.03Å; M198-L202 HydrophobicContact CE-CG 4.05Å; M198-L202 WeakPolarHBondContact O-CG 3.26Å; M198-L202 PolarHBondContact O-N 2.83Å; M198-S219 VanDerWaalsContact CE-CA 3.48Å; M198-S219 WeakPolarHBondContact CE-OG 3.32Å; M198-W222 HydrophobicContact CB-CZ2 4.48Å; M198-W222 HydrophobicContact CE-CB 4.42Å; M198-W222 HydrophobicContact CG-CD2 4.13Å; M198-W222 HydrophobicContact CG-CE3 4.35Å; M198-W222 HydrophobicContact CG-CG 4.42Å; M198-W222 HydrophobicContact SD-CB 4.14Å; M198-W222 HydrophobicContact SD-CD2 4.29Å; M198-W222 HydrophobicContact SD-CG 3.95Å; M198-L237 HydrophobicContact CB-CD2 4.44Å; M198-L237 HydrophobicContact CG-CD1 4.16Å; M198-L237 HydrophobicContact CG-CD2 3.81Å
199C96.3Very high90.3Very high7 Ų753.5 Ų53.55%0.04730%0.297CS..Hα-helixtrans-59.7-46.4174.8-730000111.8F195 E196 M201 L202 D203 R240F195-C199 VanDerWaalsContact CE2-SG 3.56Å; F195-C199 WeakPolarHBondContact CZ-SG 3.19Å; F195-C199 WeakPolarHBondContact O-CB 3.43Å; F195-C199 PolarHBondContact O-N 2.56Å; F195-C199 PolarHBondContact O-SG 3.41Å; E196-C199 WeakPolarHBondContact O-CB 3.43Å; E196-C199 PolarHBondContact O-N 3.17Å; C199-M201 VanDerWaalsContact C-N 3.3Å; C199-M201 PolarHBondContact O-N 3.42Å; C199-L202 CarbonylContact O-C 3.41Å; C199-L202 PolarHBondContact O-N 2.97Å; C199-L202 VanDerWaalsContact O-N 3.16Å; C199-D203 VanDerWaalsContact O-CG 3.29Å; C199-D203 PolarHBondContact O-N 3.49Å; C199-R240 PolarHBondContact SG-NE 2.99Å
200A94.2Very high89.9Confident61 Ų6156.6 Ų56.650%0.50431%0.31SS..Hα-helixtrans-61.4-39.717900000112E196 E197 M198 D203 A204E196-A200 WeakPolarHBondContact O-CB 3.3Å; E196-A200 PolarHBondContact O-N 3.38Å; E197-A200 PolarHBondContact O-N 3.4Å; M198-A200 PolarHBondContact O-N 3.39Å; A200-D203 PolarHBondContact O-N 2.73Å; A200-A204 PolarHBondContact O-N 3.26Å; A200-A204 VanDerWaalsContact O-N 3.1Å
201M91.8Very high89.8Confident26 Ų2658.9 Ų58.913%0.12833%0.327CS..Hα-helixtrans-63.1-43174.2-176.8-173.649.200111.9V190 L193 E197 M198 C199 D203 A204 P208 M218V190-M201 HydrophobicContact CG1-CE 4Å; V190-M201 HydrophobicContact CG2-CE 4.12Å; V190-M201 HydrophobicContact CG2-SD 3.76Å; L193-M201 HydrophobicContact CD1-CE 3.99Å; L193-M201 HydrophobicContact CD1-SD 4.19Å; E197-M201 WeakPolarHBondContact O-CB 3.38Å; E197-M201 PolarHBondContact O-N 3.36Å; M198-M201 HydrophobicContact CE-CE 3.5Å; M198-M201 PolarHBondContact O-N 3.24Å; M198-M201 HydrophobicContact SD-CE 3.2Å; M198-M201 WeakPolarHBondContact SD-CE 3.49Å; C199-M201 VanDerWaalsContact C-N 3.3Å; C199-M201 PolarHBondContact O-N 3.42Å; M201-D203 VanDerWaalsContact C-N 3.29Å; M201-D203 PolarHBondContact O-N 2.97Å; M201-A204 VanDerWaalsContact O-CB 3.3Å; M201-A204 WeakPolarHBondContact O-CB 3.39Å; M201-A204 PolarHBondContact O-N 3.48Å; M201-P208 HydrophobicContact CG-CG 3.69Å; M201-P208 HydrophobicContact SD-CG 4.2Å; M201-M218 HydrophobicContact CE-CE 4.44Å; M201-M218 HydrophobicContact SD-CE 3.92Å
202L93.1Very high89.8Confident0 Ų057.5 Ų57.50%032%0.319CS..Hα-helixtrans-69.9-25176.7-66.9-174.5000112.9M198 C199 L215 L237 R240 L241 R295M198-L202 HydrophobicContact CE-CD1 4.14Å; M198-L202 HydrophobicContact CE-CD2 4.03Å; M198-L202 HydrophobicContact CE-CG 4.05Å; M198-L202 WeakPolarHBondContact O-CG 3.26Å; M198-L202 PolarHBondContact O-N 2.83Å; C199-L202 CarbonylContact O-C 3.41Å; C199-L202 PolarHBondContact O-N 2.97Å; C199-L202 VanDerWaalsContact O-N 3.16Å; L202-L215 HydrophobicContact CD2-CB 4.08Å; L202-L215 HydrophobicContact CD2-CD2 4.07Å; L202-L237 HydrophobicContact CD1-CB 4.04Å; L202-L237 HydrophobicContact CD1-CD2 3.97Å; L202-R240 HydrophobicContact CB-CB 4.07Å; L202-R240 HydrophobicContact CD1-CB 4.39Å; L202-L241 HydrophobicContact CD1-CD2 4.49Å; L202-L241 HydrophobicContact CD2-CD2 3.82Å; L202-R295 PolarHBondContact O-NH1 3.09Å; L202-R295 PolarHBondContact O-NH2 3.41Å
203D92Very high89.9Confident81 Ų8151.5 Ų51.543%0.43329%0.288SS..Hα-helixtrans-86.1-12.2176.7-68.3-20.6000112.9C199 A200 M201 R240 R295C199-D203 VanDerWaalsContact O-CG 3.29Å; C199-D203 PolarHBondContact O-N 3.49Å; A200-D203 PolarHBondContact O-N 2.73Å; M201-D203 VanDerWaalsContact C-N 3.29Å; M201-D203 PolarHBondContact O-N 2.97Å; D203-R240 IonicContact OD1-CZ 3.9Å; D203-R240 IonicContact OD1-NH1 2.88Å; D203-R240 PolarHBondContact OD1-NH1 3.32Å; D203-R240 IonicContact OD2-CZ 3.59Å; D203-R240 IonicContact OD2-NH1 2.59Å; D203-R240 PolarHBondContact OD2-NH1 2.8Å; D203-R295 PolarHBondContact O-NH1 3.37Å
204A88.5Confident89.7Confident32 Ų3250.8 Ų50.826%0.26429%0.287SS..  trans-55.9144.4-174.200000113.7A200 M201 P206 R295A200-A204 PolarHBondContact O-N 3.26Å; A200-A204 VanDerWaalsContact O-N 3.1Å; M201-A204 VanDerWaalsContact O-CB 3.3Å; M201-A204 WeakPolarHBondContact O-CB 3.39Å; M201-A204 PolarHBondContact O-N 3.48Å; A204-P206 CarbonylContact C-O 3.54Å; A204-R295 PolarHBondContact O-NH1 2.74Å; A204-R295 VanDerWaalsContact O-NH1 3.12Å
205L86.9Confident89.6Confident87 Ų8747.3 Ų47.346%0.45527%0.269SS..SBendtrans-137.3111.6179.7-167.575.2000109.6R295 N297L205-R295 HydrophobicContact CD1-CB 3.69Å; L205-R295 HydrophobicContact CD1-CG 4.34Å; L205-R295 WeakPolarHBondContact CD1-O 3.43Å; L205-N297 HydrophobicContact CD2-CB 4.3Å
206P82.4Confident89.6Confident84 Ų8444.8 Ų44.855%0.54526%0.258SS..SBendcis-66.2160.9-7.531.1-36.1000112.4A204 A600A204-P206 CarbonylContact C-O 3.54Å; P206-A600 HydrophobicContact CB-CB 3.64Å
207P83.2Confident89.5Confident26 Ų2641.1 Ų41.117%0.16924%0.24CC..  trans-67.9153.1177.329.5-34000111.1V209 L215 R295P207-V209 WeakPolarHBondContact CG-O 3.26Å; P207-V209 PolarHBondContact O-N 3.06Å; P207-L215 HydrophobicContact CB-CD1 3.95Å; P207-R295 HydrophobicContact CG-CB 4.24Å
208P77.8Confident89.4Confident63 Ų6337.2 Ų37.241%0.40922%0.222SC..SBendtrans-69.5-12.9179.430.4-38.6000113.7M201 L215M201-P208 HydrophobicContact CG-CG 3.69Å; M201-P208 HydrophobicContact SD-CG 4.2Å; P208-L215 HydrophobicContact CG-CD2 4.2Å
209V80Confident89.5Confident18 Ų1837.2 Ų37.211%0.10922%0.222CC..SBendtrans-128.7163.4179.6-64.70000110.9L186 P207 S211 A214 L215 M218L186-V209 HydrophobicContact CD2-CG1 3.5Å; P207-V209 WeakPolarHBondContact CG-O 3.26Å; P207-V209 PolarHBondContact O-N 3.06Å; V209-S211 VanDerWaalsContact C-N 3.33Å; V209-S211 PolarHBondContact O-N 2.67Å; V209-A214 HydrophobicContact CB-CB 3.93Å; V209-A214 HydrophobicContact CG2-CB 3.68Å; V209-L215 HydrophobicContact CG2-CB 4.44Å; V209-L215 HydrophobicContact CG2-CD2 3.45Å; V209-L215 VanDerWaalsContact CG2-CD2 3.45Å; V209-L215 HydrophobicContact CG2-CG 3.54Å; V209-M218 HydrophobicContact CB-SD 4.38Å; V209-M218 HydrophobicContact CG1-CE 4.26Å; V209-M218 HydrophobicContact CG1-SD 3.46Å; V209-M218 WeakPolarHBondContact CG1-SD 3.4Å; V209-M218 HydrophobicContact CG2-SD 4.07Å
210E75.9Confident89.5Confident106 Ų10638.1 Ų38.150%0.49523%0.228SC..SBendtrans-75.8-15.9-166.6-52.1-172.8119.600114.9K179 C601K179-E210 WeakPolarHBondContact CE-OE1 3.11Å; K179-E210 VanDerWaalsContact NZ-CG 3.33Å; K179-E210 IonicContact NZ-OE1 2.82Å; K179-E210 PolarHBondContact NZ-OE1 3.24Å; K179-E210 IonicContact NZ-OE2 3.78Å; E210-C601 HydrophobicContact CB-CB 3.98Å; E210-C601 HydrophobicContact CG-CB 4.14Å
211S87.8Confident89.5Confident53 Ų5339.3 Ų39.337%0.37123%0.225SC..  trans-147.4153.8-175.167.20000113V209 L213 A214 L215V209-S211 VanDerWaalsContact C-N 3.33Å; V209-S211 PolarHBondContact O-N 2.67Å; S211-L213 PolarHBondContact O-N 3.03Å; S211-A214 WeakPolarHBondContact O-CB 3.34Å; S211-A214 PolarHBondContact O-N 3.44Å; S211-A214 VanDerWaalsContact O-N 3.15Å; S211-A214 PolarHBondContact OG-N 3.34Å; S211-A214 VanDerWaalsContact OG-N 3.13Å; S211-L215 PolarHBondContact O-N 3.37Å
212E92.6Very high89.8Confident9 Ų938.2 Ų38.24%0.04222%0.22CC..Hα-helixtrans-61.2-29.5171.2-73.8-68.4160.200112.3L215 F216 R242 L245 I246 R295E212-L215 PolarHBondContact O-N 3.42Å; E212-F216 WeakPolarHBondContact O-CB 3.41Å; E212-F216 PolarHBondContact O-N 3.04Å; E212-R242 HydrophobicContact CG-CB 3.95Å; E212-R242 PolarHBondContact OE2-N 2.88Å; E212-L245 HydrophobicContact CB-CB 4.39Å; E212-L245 HydrophobicContact CG-CB 3.79Å; E212-L245 HydrophobicContact CG-CD1 3.84Å; E212-L245 HydrophobicContact CG-CG 4.26Å; E212-I246 HydrophobicContact CB-CD1 4.2Å; E212-I246 HydrophobicContact CB-CG1 3.68Å; E212-R295 WeakPolarHBondContact OE1-CD 3.34Å; E212-R295 IonicContact OE1-CZ 3.68Å; E212-R295 IonicContact OE1-NE 2.66Å; E212-R295 PolarHBondContact OE1-NE 3.45Å; E212-R295 IonicContact OE1-NH2 3.85Å
213L93.3Very high90Very high13 Ų1338.2 Ų38.27%0.06822%0.22CC..Hα-helixtrans-65.8-41.6175.5-176.756.2000111.2S211 F216 Q217 I246 E250 R254 V255S211-L213 PolarHBondContact O-N 3.03Å; L213-F216 HydrophobicContact CD1-CD1 4.41Å; L213-F216 WeakPolarHBondContact O-CB 3.19Å; L213-F216 PolarHBondContact O-N 3.49Å; L213-Q217 VanDerWaalsContact O-CG 3.28Å; L213-Q217 WeakPolarHBondContact O-CG 3.31Å; L213-Q217 PolarHBondContact O-N 3.14Å; L213-I246 HydrophobicContact CB-CD1 4.3Å; L213-I246 HydrophobicContact CB-CG1 4.24Å; L213-I246 HydrophobicContact CB-CG2 4.23Å; L213-I246 HydrophobicContact CD1-CD1 4.37Å; L213-I246 HydrophobicContact CD1-CG2 4.15Å; L213-I246 HydrophobicContact CD2-CG2 4.42Å; L213-E250 HydrophobicContact CD2-CB 3.75Å; L213-E250 HydrophobicContact CD2-CG 3.89Å; L213-E250 WeakPolarHBondContact CD2-OE2 3.34Å; L213-R254 HydrophobicContact CD1-CB 4.21Å; L213-R254 VanDerWaalsContact CG-NH1 3.35Å; L213-V255 HydrophobicContact CD1-CG2 4.1Å
214A89.6Confident90.2Very high24 Ų2438.2 Ų38.220%0.19822%0.217CC..Hα-helixtrans-62.7-42.2173.200000111.6V209 S211 F216 Q217 M218V209-A214 HydrophobicContact CB-CB 3.93Å; V209-A214 HydrophobicContact CG2-CB 3.68Å; S211-A214 WeakPolarHBondContact O-CB 3.34Å; S211-A214 PolarHBondContact O-N 3.44Å; S211-A214 VanDerWaalsContact O-N 3.15Å; S211-A214 PolarHBondContact OG-N 3.34Å; S211-A214 VanDerWaalsContact OG-N 3.13Å; A214-F216 VanDerWaalsContact C-N 3.34Å; A214-F216 PolarHBondContact O-N 3.37Å; A214-Q217 PolarHBondContact O-N 2.96Å; A214-M218 VanDerWaalsContact O-CG 3.23Å; A214-M218 WeakPolarHBondContact O-CG 3.48Å; A214-M218 PolarHBondContact O-N 2.88Å
215L92.8Very high90.5Very high1 Ų141.9 Ų41.91%0.00523%0.228CC..Hα-helixtrans-60.5-42.4174.5-69.2175.2000112.3L202 P207 P208 V209 S211 E212 M218 S219 L241L202-L215 HydrophobicContact CD2-CB 4.08Å; L202-L215 HydrophobicContact CD2-CD2 4.07Å; P207-L215 HydrophobicContact CB-CD1 3.95Å; P208-L215 HydrophobicContact CG-CD2 4.2Å; V209-L215 HydrophobicContact CG2-CB 4.44Å; V209-L215 HydrophobicContact CG2-CD2 3.45Å; V209-L215 VanDerWaalsContact CG2-CD2 3.45Å; V209-L215 HydrophobicContact CG2-CG 3.54Å; S211-L215 PolarHBondContact O-N 3.37Å; E212-L215 PolarHBondContact O-N 3.42Å; L215-M218 PolarHBondContact O-N 3.28Å; L215-S219 PolarHBondContact O-N 3.17Å; L215-S219 PolarHBondContact O-OG 3.23Å; L215-L241 HydrophobicContact CB-CD2 3.55Å; L215-L241 HydrophobicContact CD1-CD2 4.41Å
216F96.4Very high90.9Very high2 Ų240.6 Ų40.61%0.00922%0.222CC..Hα-helixtrans-58.4-50.1174.1172.1-102.4000111.1E212 L213 A214 M218 S219 V220 M238 L241 F243 I246 V255 V258 M261E212-F216 WeakPolarHBondContact O-CB 3.41Å; E212-F216 PolarHBondContact O-N 3.04Å; L213-F216 HydrophobicContact CD1-CD1 4.41Å; L213-F216 WeakPolarHBondContact O-CB 3.19Å; L213-F216 PolarHBondContact O-N 3.49Å; A214-F216 VanDerWaalsContact C-N 3.34Å; A214-F216 PolarHBondContact O-N 3.37Å; F216-M218 VanDerWaalsContact C-N 3.34Å; F216-M218 PolarHBondContact O-N 2.91Å; F216-S219 WeakPolarHBondContact O-CA 3.31Å; F216-S219 WeakPolarHBondContact O-CB 3.29Å; F216-S219 PolarHBondContact O-N 3.34Å; F216-S219 VanDerWaalsContact O-N 3.09Å; F216-V220 HydrophobicContact CD1-CG2 4.32Å; F216-V220 HydrophobicContact CD2-CG2 4.41Å; F216-V220 HydrophobicContact CE1-CG2 3.83Å; F216-V220 HydrophobicContact CE2-CG2 3.93Å; F216-V220 HydrophobicContact CZ-CG2 3.62Å; F216-V220 WeakPolarHBondContact O-CG2 3.48Å; F216-V220 PolarHBondContact O-N 3.32Å; F216-M238 HydrophobicContact CD2-CE 4.46Å; F216-M238 HydrophobicContact CD2-SD 3.65Å; F216-M238 HydrophobicContact CE2-SD 3.63Å; F216-L241 HydrophobicContact CB-CD1 3.87Å; F216-L241 HydrophobicContact CD2-CD1 3.84Å; F216-L241 HydrophobicContact CG-CD1 4.37Å; F216-F243 AromaticContact CD2-CE1 3.84Å; F216-F243 HydrophobicContact CD2-CE1 3.84Å; F216-F243 HydrophobicContact CD2-CZ 4.11Å; F216-F243 HydrophobicContact CE2-CE1 4.21Å; F216-F243 HydrophobicContact CE2-CZ 4.45Å; F216-I246 HydrophobicContact CB-CD1 4.49Å; F216-V255 HydrophobicContact CD1-CG2 3.86Å; F216-V255 HydrophobicContact CD2-CG1 4.45Å; F216-V255 HydrophobicContact CE1-CB 4.14Å; F216-V255 HydrophobicContact CE1-CG1 4.23Å; F216-V255 HydrophobicContact CE1-CG2 3.87Å; F216-V255 HydrophobicContact CE2-CG1 3.94Å; F216-V255 HydrophobicContact CG-CG2 4.28Å; F216-V255 HydrophobicContact CZ-CB 4.19Å; F216-V255 HydrophobicContact CZ-CG1 3.81Å; F216-V255 HydrophobicContact CZ-CG2 4.29Å; F216-V258 HydrophobicContact CE1-CG2 3.94Å; F216-V258 HydrophobicContact CZ-CB 4.18Å; F216-V258 HydrophobicContact CZ-CG2 3.75Å; F216-M261 HydrophobicContact CE2-CG 3.96Å; F216-M261 HydrophobicContact CE2-SD 3.79Å; F216-M261 HydrophobicContact CZ-CG 3.93Å; F216-M261 HydrophobicContact CZ-SD 4.39Å
217Q94.4Very high91.6Very high76 Ų7642.9 Ų42.936%0.35522%0.22SC..Hα-helixtrans-62.5-40.1179.5-68.9-168.6-81.100113L213 A214 S219 V220 L221L213-Q217 VanDerWaalsContact O-CG 3.28Å; L213-Q217 WeakPolarHBondContact O-CG 3.31Å; L213-Q217 PolarHBondContact O-N 3.14Å; A214-Q217 PolarHBondContact O-N 2.96Å; Q217-S219 VanDerWaalsContact C-N 3.27Å; Q217-S219 PolarHBondContact O-N 3.33Å; Q217-V220 PolarHBondContact O-N 3.11Å; Q217-L221 WeakPolarHBondContact O-CB 3.38Å; Q217-L221 VanDerWaalsContact O-CG 3.3Å; Q217-L221 WeakPolarHBondContact O-CG 3.36Å; Q217-L221 PolarHBondContact O-N 3.09Å
218M93.2Very high92.1Very high12 Ų1250.7 Ų50.76%0.05925%0.254CS..Hα-helixtrans-61.7-38.4174.2-70170.88000111.4L186 V190 M201 V209 A214 L215 F216 L221 W222L186-M218 HydrophobicContact CD1-CE 4.22Å; L186-M218 HydrophobicContact CD2-CE 3.88Å; L186-M218 HydrophobicContact CG-CE 3.8Å; V190-M218 HydrophobicContact CB-CE 4.2Å; V190-M218 HydrophobicContact CG1-CB 4.44Å; V190-M218 HydrophobicContact CG1-CE 4.31Å; V190-M218 HydrophobicContact CG2-CE 3.19Å; M201-M218 HydrophobicContact CE-CE 4.44Å; M201-M218 HydrophobicContact SD-CE 3.92Å; V209-M218 HydrophobicContact CB-SD 4.38Å; V209-M218 HydrophobicContact CG1-CE 4.26Å; V209-M218 HydrophobicContact CG1-SD 3.46Å; V209-M218 WeakPolarHBondContact CG1-SD 3.4Å; V209-M218 HydrophobicContact CG2-SD 4.07Å; A214-M218 VanDerWaalsContact O-CG 3.23Å; A214-M218 WeakPolarHBondContact O-CG 3.48Å; A214-M218 PolarHBondContact O-N 2.88Å; L215-M218 PolarHBondContact O-N 3.28Å; F216-M218 VanDerWaalsContact C-N 3.34Å; F216-M218 PolarHBondContact O-N 2.91Å; M218-L221 PolarHBondContact O-N 3.5Å; M218-W222 WeakPolarHBondContact O-CB 3.35Å; M218-W222 PolarHBondContact O-N 3.23Å
219S96.5Very high93Very high0 Ų051.4 Ų51.40%026%0.257CS..Hα-helixtrans-64.9-44.1175.2-52.80000112M198 L215 F216 Q217 W222 L223M198-S219 VanDerWaalsContact CE-CA 3.48Å; M198-S219 WeakPolarHBondContact CE-OG 3.32Å; L215-S219 PolarHBondContact O-N 3.17Å; L215-S219 PolarHBondContact O-OG 3.23Å; F216-S219 WeakPolarHBondContact O-CA 3.31Å; F216-S219 WeakPolarHBondContact O-CB 3.29Å; F216-S219 PolarHBondContact O-N 3.34Å; F216-S219 VanDerWaalsContact O-N 3.09Å; Q217-S219 VanDerWaalsContact C-N 3.27Å; Q217-S219 PolarHBondContact O-N 3.33Å; S219-W222 PolarHBondContact O-N 3.05Å; S219-L223 WeakPolarHBondContact O-CB 3.28Å; S219-L223 WeakPolarHBondContact O-CD1 3.35Å; S219-L223 WeakPolarHBondContact O-CG 3.21Å; S219-L223 PolarHBondContact O-N 2.88Å
220V96.8Very high93.8Very high26 Ų2652 Ų5216%0.15826%0.257CS..Hα-helixtrans-62-45.6175.5175.20000110.9F216 Q217 W222 L223 E224 V258 F260F216-V220 HydrophobicContact CD1-CG2 4.32Å; F216-V220 HydrophobicContact CD2-CG2 4.41Å; F216-V220 HydrophobicContact CE1-CG2 3.83Å; F216-V220 HydrophobicContact CE2-CG2 3.93Å; F216-V220 HydrophobicContact CZ-CG2 3.62Å; F216-V220 WeakPolarHBondContact O-CG2 3.48Å; F216-V220 PolarHBondContact O-N 3.32Å; Q217-V220 PolarHBondContact O-N 3.11Å; V220-W222 VanDerWaalsContact C-N 3.34Å; V220-W222 PolarHBondContact O-N 3.39Å; V220-L223 PolarHBondContact O-N 3.39Å; V220-E224 HydrophobicContact CG1-CG 4.3Å; V220-E224 WeakPolarHBondContact O-CG 3.12Å; V220-E224 PolarHBondContact O-N 3.02Å; V220-V258 HydrophobicContact CG2-CG1 4.31Å; V220-V258 HydrophobicContact CG2-CG2 4.31Å; V220-F260 HydrophobicContact CG2-CE1 4.16Å; V220-F260 HydrophobicContact CG2-CZ 3.95Å
221L95.4Very high94.8Very high86 Ų8649 Ų4945%0.4524%0.244SC..Hα-helixtrans-60.1-43.4177.2-73.3171000111.9V187 L191 Q217 M218 H225V187-L221 HydrophobicContact CG1-CD1 4.19Å; L191-L221 HydrophobicContact CD2-CB 4.35Å; Q217-L221 WeakPolarHBondContact O-CB 3.38Å; Q217-L221 VanDerWaalsContact O-CG 3.3Å; Q217-L221 WeakPolarHBondContact O-CG 3.36Å; Q217-L221 PolarHBondContact O-N 3.09Å; M218-L221 PolarHBondContact O-N 3.5Å; L221-H225 WeakPolarHBondContact O-CB 3.45Å; L221-H225 PolarHBondContact O-N 3.27Å
222W96.9Very high95.2Very high4 Ų452 Ų522%0.01525%0.252CS..Hα-helixtrans-63.3-42177.3-177.683.4000112.6V190 L193 F195 M198 M218 S219 V220 R230 Y233 L237V190-W222 HydrophobicContact CG1-CB 4.43Å; L193-W222 PolarHBondContact O-NE1 2.9Å; F195-W222 HydrophobicContact CB-CH2 4.26Å; F195-W222 HydrophobicContact CD2-CH2 4.37Å; M198-W222 HydrophobicContact CB-CZ2 4.48Å; M198-W222 HydrophobicContact CE-CB 4.42Å; M198-W222 HydrophobicContact CG-CD2 4.13Å; M198-W222 HydrophobicContact CG-CE3 4.35Å; M198-W222 HydrophobicContact CG-CG 4.42Å; M198-W222 HydrophobicContact SD-CB 4.14Å; M198-W222 HydrophobicContact SD-CD2 4.29Å; M198-W222 HydrophobicContact SD-CG 3.95Å; M218-W222 WeakPolarHBondContact O-CB 3.35Å; M218-W222 PolarHBondContact O-N 3.23Å; S219-W222 PolarHBondContact O-N 3.05Å; V220-W222 VanDerWaalsContact C-N 3.34Å; V220-W222 PolarHBondContact O-N 3.39Å; W222-R230 VanDerWaalsContact CD1-NH1 3.26Å; W222-R230 HydrophobicContact CE3-CB 4.27Å; W222-R230 HydrophobicContact CE3-CG 4.45Å; W222-R230 HydrophobicContact CH2-CB 4.11Å; W222-R230 HydrophobicContact CH2-CG 3.83Å; W222-R230 HydrophobicContact CZ2-CG 4.17Å; W222-R230 HydrophobicContact CZ3-CB 3.78Å; W222-R230 HydrophobicContact CZ3-CG 3.97Å; W222-R230 WeakPolarHBondContact O-CD 3.41Å; W222-R230 PolarHBondContact O-NH1 3.07Å; W222-Y233 AromaticContact CH2-CD2 3.89Å; W222-Y233 HydrophobicContact CH2-CD2 3.89Å; W222-Y233 HydrophobicContact CH2-CE2 4.47Å; W222-Y233 HydrophobicContact CZ3-CD2 4.17Å; W222-L237 HydrophobicContact CE3-CD1 3.7Å; W222-L237 HydrophobicContact CZ3-CD1 3.74Å
223L97.5Very high95.5Very high0 Ų055.1 Ų55.10%026%0.264CS..Hα-helixtrans-65.8-45.5177.7-71.4166.2000111.9S219 V220 H225 D226 R227 R230 M231 A234 L237 M238 F260S219-L223 WeakPolarHBondContact O-CB 3.28Å; S219-L223 WeakPolarHBondContact O-CD1 3.35Å; S219-L223 WeakPolarHBondContact O-CG 3.21Å; S219-L223 PolarHBondContact O-N 2.88Å; V220-L223 PolarHBondContact O-N 3.39Å; L223-H225 VanDerWaalsContact C-N 3.33Å; L223-H225 PolarHBondContact O-N 3.04Å; L223-D226 CarbonylContact O-C 3.55Å; L223-R227 VanDerWaalsContact O-CA 3.25Å; L223-R227 WeakPolarHBondContact O-CA 3.4Å; L223-R227 PolarHBondContact O-N 3.02Å; L223-R230 HydrophobicContact CD2-CB 4.19Å; L223-R230 WeakPolarHBondContact CD2-O 3.36Å; L223-M231 HydrophobicContact CB-CE 4.24Å; L223-A234 HydrophobicContact CD1-CB 3.71Å; L223-A234 HydrophobicContact CD2-CB 4.19Å; L223-L237 HydrophobicContact CD1-CD1 4.42Å; L223-L237 HydrophobicContact CD2-CD1 3.99Å; L223-L237 HydrophobicContact CG-CD1 4.15Å; L223-M238 HydrophobicContact CD1-CE 4.23Å; L223-F260 HydrophobicContact CD1-CE1 3.95Å; L223-F260 HydrophobicContact CD1-CZ 3.79Å
224E96.3Very high95.7Very high80 Ų8054.6 Ų54.637%0.37426%0.261SS..Hα-helixtrans-73.9-23.6-178-68.3-67.6166.100113V220 D226 R227V220-E224 HydrophobicContact CG1-CG 4.3Å; V220-E224 WeakPolarHBondContact O-CG 3.12Å; V220-E224 PolarHBondContact O-N 3.02Å; E224-D226 VanDerWaalsContact C-N 3.28Å; E224-D226 PolarHBondContact O-N 2.66Å; E224-R227 IonicContact OE1-NH1 3.28Å; E224-R227 PolarHBondContact OE1-NH1 2.85Å; E224-R227 IonicContact OE2-CZ 3.89Å; E224-R227 IonicContact OE2-NH1 2.96Å; E224-R227 PolarHBondContact OE2-NH1 3.34Å
225H95.8Very high96.1Very high110 Ų11054.4 Ų54.451%0.50926%0.258SS..Hα-helixtrans-61.9-34.8177.9-175.971.2000113.4L191 L221 L223L191-H225 HydrophobicContact CD2-CB 3.85Å; L221-H225 WeakPolarHBondContact O-CB 3.45Å; L221-H225 PolarHBondContact O-N 3.27Å; L223-H225 VanDerWaalsContact C-N 3.33Å; L223-H225 PolarHBondContact O-N 3.04Å
226D94.7Very high96.3Very high59 Ų5957.6 Ų57.632%0.31628%0.275SS..THydrogen-bonded Turntrans-138.569.1171.4-175.53.2000109.5L223 E224 E228 T229 R230L223-D226 CarbonylContact O-C 3.55Å; E224-D226 VanDerWaalsContact C-N 3.28Å; E224-D226 PolarHBondContact O-N 2.66Å; D226-E228 VanDerWaalsContact C-N 3.25Å; D226-E228 PolarHBondContact O-N 3.31Å; D226-T229 PolarHBondContact O-N 2.94Å; D226-T229 PolarHBondContact OD1-OG1 3.48Å; D226-T229 WeakPolarHBondContact OD2-CG2 3.39Å; D226-T229 PolarHBondContact OD2-OG1 2.99Å; D226-R230 HydrophobicContact CB-CG 4.11Å; D226-R230 VanDerWaalsContact O-CB 3.23Å; D226-R230 WeakPolarHBondContact O-CB 3.27Å; D226-R230 WeakPolarHBondContact O-CG 3.49Å; D226-R230 PolarHBondContact O-N 2.72Å
227R95.8Very high96.3Very high133 Ų13357.5 Ų57.550%0.50227%0.274SS..Hα-helixtrans-55.5-38.8-172.6-177.8175.8-177.7134.6-5.7113.3L223 E224 T229 M231L223-R227 VanDerWaalsContact O-CA 3.25Å; L223-R227 WeakPolarHBondContact O-CA 3.4Å; L223-R227 PolarHBondContact O-N 3.02Å; E224-R227 IonicContact OE1-NH1 3.28Å; E224-R227 PolarHBondContact OE1-NH1 2.85Å; E224-R227 IonicContact OE2-CZ 3.89Å; E224-R227 IonicContact OE2-NH1 2.96Å; E224-R227 PolarHBondContact OE2-NH1 3.34Å; R227-T229 PolarHBondContact O-N 2.9Å; R227-M231 HydrophobicContact CG-CB 4.41Å; R227-M231 HydrophobicContact CG-CE 3.82Å; R227-M231 WeakPolarHBondContact O-CB 3.48Å; R227-M231 PolarHBondContact O-N 3.2Å
228E95.5Very high96.5Very high190 Ų19053.9 Ų53.989%0.88826%0.258SS*.Hα-helixtrans-66.3-39-175.6-64.9-171.2170.500112D226D226-E228 VanDerWaalsContact C-N 3.25Å; D226-E228 PolarHBondContact O-N 3.31Å
229T95.9Very high96.7Very high77 Ų7758.6 Ų58.647%0.47228%0.278SS..Hα-helixtrans-96.8-19.2-176.777.40000113.8D226 R227 H232D226-T229 PolarHBondContact O-N 2.94Å; D226-T229 PolarHBondContact OD1-OG1 3.48Å; D226-T229 WeakPolarHBondContact OD2-CG2 3.39Å; D226-T229 PolarHBondContact OD2-OG1 2.99Å; R227-T229 PolarHBondContact O-N 2.9Å; T229-H232 PolarHBondContact O-CE1 2.85Å; T229-H232 PolarHBondContact O-ND1 2.92Å; T229-H232 VanDerWaalsContact O-ND1 3.16Å
230R97.3Very high96.6Very high32 Ų3262.5 Ų62.512%0.12129%0.293CS..Hα-helixtrans-107.4-23.7-171-61.7178.6-179.3-178.3-3.4114.6L191 W222 L223 D226 H232 Y233L191-R230 PolarHBondContact O-NH1 2.96Å; L191-R230 VanDerWaalsContact O-NH1 3.17Å; L191-R230 PolarHBondContact O-NH2 2.85Å; L191-R230 VanDerWaalsContact O-NH2 3.07Å; W222-R230 VanDerWaalsContact CD1-NH1 3.26Å; W222-R230 HydrophobicContact CE3-CB 4.27Å; W222-R230 HydrophobicContact CE3-CG 4.45Å; W222-R230 HydrophobicContact CH2-CB 4.11Å; W222-R230 HydrophobicContact CH2-CG 3.83Å; W222-R230 HydrophobicContact CZ2-CG 4.17Å; W222-R230 HydrophobicContact CZ3-CB 3.78Å; W222-R230 HydrophobicContact CZ3-CG 3.97Å; W222-R230 WeakPolarHBondContact O-CD 3.41Å; W222-R230 PolarHBondContact O-NH1 3.07Å; L223-R230 HydrophobicContact CD2-CB 4.19Å; L223-R230 WeakPolarHBondContact CD2-O 3.36Å; D226-R230 HydrophobicContact CB-CG 4.11Å; D226-R230 VanDerWaalsContact O-CB 3.23Å; D226-R230 WeakPolarHBondContact O-CB 3.27Å; D226-R230 WeakPolarHBondContact O-CG 3.49Å; D226-R230 PolarHBondContact O-N 2.72Å; R230-H232 PolarHBondContact O-N 3.19Å; R230-H232 VanDerWaalsContact O-N 3.14Å; R230-Y233 WeakPolarHBondContact O-CB 3.39Å; R230-Y233 PolarHBondContact O-N 2.97Å
231M96.7Very high96.6Very high43 Ų4361.4 Ų61.421%0.21229%0.286CS..G310 helixtrans-62.9-26.4-169.2-168.659.366.600113.8L223 R227 Y233 A234 F260L223-M231 HydrophobicContact CB-CE 4.24Å; R227-M231 HydrophobicContact CG-CB 4.41Å; R227-M231 HydrophobicContact CG-CE 3.82Å; R227-M231 WeakPolarHBondContact O-CB 3.48Å; R227-M231 PolarHBondContact O-N 3.2Å; M231-Y233 PolarHBondContact O-N 3.26Å; M231-A234 VanDerWaalsContact O-CB 3.3Å; M231-A234 WeakPolarHBondContact O-CB 3.39Å; M231-A234 PolarHBondContact O-N 3.35Å; M231-A234 VanDerWaalsContact O-N 3.16Å; M231-A234 HydrophobicContact SD-CB 4.27Å; M231-F260 HydrophobicContact CE-CD1 4.46Å; M231-F260 HydrophobicContact SD-CB 4.36Å; M231-F260 HydrophobicContact SD-CD1 3.83Å; M231-F260 HydrophobicContact SD-CE1 4.47Å; M231-F260 HydrophobicContact SD-CG 4.27Å
232H96.1Very high96.6Very high116 Ų11658.7 Ų58.754%0.53727%0.27SS..G310 helixtrans-66.8-20174.871.3-52.2000113.4T229 R230 A234 P235T229-H232 PolarHBondContact O-CE1 2.85Å; T229-H232 PolarHBondContact O-ND1 2.92Å; T229-H232 VanDerWaalsContact O-ND1 3.16Å; R230-H232 PolarHBondContact O-N 3.19Å; R230-H232 VanDerWaalsContact O-N 3.14Å; H232-A234 VanDerWaalsContact C-N 3.32Å; H232-P235 WeakPolarHBondContact O-CD 3.33Å
233Y97.9Very high96.5Very high73 Ų7358.7 Ų58.729%0.28627%0.27SS..G310 helixtrans-79.5-10.3174.4-64.8-53.9000113.7F195 W222 R230 M231 P235 D236 L237F195-Y233 HydrophobicContact CB-CD2 4.34Å; F195-Y233 HydrophobicContact CB-CE1 4.48Å; F195-Y233 HydrophobicContact CB-CE2 4.03Å; F195-Y233 HydrophobicContact CD1-CD1 4.28Å; F195-Y233 HydrophobicContact CD1-CE1 4.04Å; F195-Y233 AromaticContact CD2-CD1 3.5Å; F195-Y233 HydrophobicContact CD2-CD1 3.5Å; F195-Y233 VanDerWaalsContact CD2-CD1 3.5Å; F195-Y233 AromaticContact CD2-CD2 3.81Å; F195-Y233 HydrophobicContact CD2-CD2 3.81Å; F195-Y233 AromaticContact CD2-CE1 3.97Å; F195-Y233 HydrophobicContact CD2-CE1 3.97Å; F195-Y233 HydrophobicContact CD2-CE2 4.24Å; F195-Y233 AromaticContact CD2-CG 3.43Å; F195-Y233 HydrophobicContact CD2-CG 3.43Å; F195-Y233 VanDerWaalsContact CD2-CG 3.43Å; F195-Y233 HydrophobicContact CE1-CD1 4.23Å; F195-Y233 HydrophobicContact CE1-CE1 4.24Å; F195-Y233 AromaticContact CE2-CD1 3.45Å; F195-Y233 HydrophobicContact CE2-CD1 3.45Å; F195-Y233 VanDerWaalsContact CE2-CD1 3.45Å; F195-Y233 HydrophobicContact CE2-CD2 4.47Å; F195-Y233 HydrophobicContact CE2-CE1 4.18Å; F195-Y233 AromaticContact CE2-CG 3.64Å; F195-Y233 HydrophobicContact CE2-CG 3.64Å; F195-Y233 AromaticContact CG-CD1 3.92Å; F195-Y233 HydrophobicContact CG-CD1 3.92Å; F195-Y233 HydrophobicContact CG-CD2 4.24Å; F195-Y233 AromaticContact CG-CE1 3.89Å; F195-Y233 HydrophobicContact CG-CE1 3.89Å; F195-Y233 HydrophobicContact CG-CE2 4.19Å; F195-Y233 HydrophobicContact CG-CG 4.12Å; F195-Y233 AromaticContact CZ-CD1 3.82Å; F195-Y233 HydrophobicContact CZ-CD1 3.82Å; F195-Y233 HydrophobicContact CZ-CE1 4.3Å; F195-Y233 HydrophobicContact CZ-CG 4.46Å; W222-Y233 AromaticContact CH2-CD2 3.89Å; W222-Y233 HydrophobicContact CH2-CD2 3.89Å; W222-Y233 HydrophobicContact CH2-CE2 4.47Å; W222-Y233 HydrophobicContact CZ3-CD2 4.17Å; R230-Y233 WeakPolarHBondContact O-CB 3.39Å; R230-Y233 PolarHBondContact O-N 2.97Å; M231-Y233 PolarHBondContact O-N 3.26Å; Y233-P235 VanDerWaalsContact C-CD 3.48Å; Y233-D236 PolarHBondContact O-N 2.75Å; Y233-D236 VanDerWaalsContact O-N 3.08Å; Y233-L237 PolarHBondContact O-N 2.92Å
234A97.7Very high96.4Very high2 Ų259 Ų592%0.01727%0.272CS..Hα-helixtrans-51.7-47.6-174.800000113.3L223 M231 H232 D236 L237 M238 F260L223-A234 HydrophobicContact CD1-CB 3.71Å; L223-A234 HydrophobicContact CD2-CB 4.19Å; M231-A234 VanDerWaalsContact O-CB 3.3Å; M231-A234 WeakPolarHBondContact O-CB 3.39Å; M231-A234 PolarHBondContact O-N 3.35Å; M231-A234 VanDerWaalsContact O-N 3.16Å; M231-A234 HydrophobicContact SD-CB 4.27Å; H232-A234 VanDerWaalsContact C-N 3.32Å; A234-D236 VanDerWaalsContact C-N 3.31Å; A234-D236 PolarHBondContact O-N 3.5Å; A234-L237 PolarHBondContact O-N 3.34Å; A234-M238 VanDerWaalsContact O-CG 3.25Å; A234-M238 WeakPolarHBondContact O-CG 3.48Å; A234-M238 PolarHBondContact O-N 2.94Å; A234-F260 HydrophobicContact CB-CD2 3.86Å; A234-F260 HydrophobicContact CB-CE2 3.99Å; A234-F260 HydrophobicContact CB-CG 4.24Å; A234-F260 HydrophobicContact CB-CZ 4.44Å
235P97.8Very high96.3Very high20 Ų2056.7 Ų56.713%0.1326%0.262CS..Hα-helixtrans-59.8-39.1179.3-2537.2000113.5H232 Y233 K239 D264 V266H232-P235 WeakPolarHBondContact O-CD 3.33Å; Y233-P235 VanDerWaalsContact C-CD 3.48Å; P235-K239 VanDerWaalsContact O-CG 3.31Å; P235-K239 WeakPolarHBondContact O-CG 3.25Å; P235-K239 PolarHBondContact O-N 3.22Å; P235-D264 WeakPolarHBondContact CG-OD2 3.45Å; P235-V266 HydrophobicContact CB-CB 4.07Å; P235-V266 HydrophobicContact CB-CG1 4.28Å; P235-V266 HydrophobicContact CB-CG2 4.39Å
236D97.6Very high96.2Very high68 Ų6851.5 Ų51.536%0.36424%0.238SC..Hα-helixtrans-76.4-33.3-177.2-66.7-42.7000112.4F195 Y233 A234 K239F195-D236 HydrophobicContact CZ-CB 4.27Å; Y233-D236 PolarHBondContact O-N 2.75Å; Y233-D236 VanDerWaalsContact O-N 3.08Å; A234-D236 VanDerWaalsContact C-N 3.31Å; A234-D236 PolarHBondContact O-N 3.5Å; D236-K239 IonicContact OD1-NZ 2.77Å; D236-K239 PolarHBondContact OD1-NZ 2.94Å
237L97.6Very high96.1Very high0 Ų051.3 Ų51.30%024%0.24CC..Hα-helixtrans-66.8-45.6169.9-64.2-177.1000111.3F195 M198 L202 W222 L223 Y233 A234 K239 R240F195-L237 HydrophobicContact CD2-CD2 4.16Å; F195-L237 HydrophobicContact CE2-CD2 3.85Å; F195-L237 HydrophobicContact CE2-CG 4.3Å; M198-L237 HydrophobicContact CB-CD2 4.44Å; M198-L237 HydrophobicContact CG-CD1 4.16Å; M198-L237 HydrophobicContact CG-CD2 3.81Å; L202-L237 HydrophobicContact CD1-CB 4.04Å; L202-L237 HydrophobicContact CD1-CD2 3.97Å; W222-L237 HydrophobicContact CE3-CD1 3.7Å; W222-L237 HydrophobicContact CZ3-CD1 3.74Å; L223-L237 HydrophobicContact CD1-CD1 4.42Å; L223-L237 HydrophobicContact CD2-CD1 3.99Å; L223-L237 HydrophobicContact CG-CD1 4.15Å; Y233-L237 PolarHBondContact O-N 2.92Å; A234-L237 PolarHBondContact O-N 3.34Å; L237-K239 VanDerWaalsContact C-N 3.32Å; L237-K239 PolarHBondContact O-N 3.12Å; L237-R240 WeakPolarHBondContact O-CB 3.22Å; L237-R240 PolarHBondContact O-N 3.04Å; L237-R240 VanDerWaalsContact O-N 3.08Å
238M97.4Very high96Very high0 Ų046.9 Ų46.90%023%0.232CC..Hα-helixtrans-63.4-35.2-177.4-67.1-47.6110.700112.8F216 L223 A234 R240 L241 F243 F260 M261 L270F216-M238 HydrophobicContact CD2-CE 4.46Å; F216-M238 HydrophobicContact CD2-SD 3.65Å; F216-M238 HydrophobicContact CE2-SD 3.63Å; L223-M238 HydrophobicContact CD1-CE 4.23Å; A234-M238 VanDerWaalsContact O-CG 3.25Å; A234-M238 WeakPolarHBondContact O-CG 3.48Å; A234-M238 PolarHBondContact O-N 2.94Å; M238-R240 PolarHBondContact O-N 2.85Å; M238-R240 VanDerWaalsContact O-N 3.08Å; M238-L241 HydrophobicContact CE-CD1 4.15Å; M238-L241 PolarHBondContact O-N 3.32Å; M238-L241 HydrophobicContact SD-CD1 3.69Å; M238-F243 HydrophobicContact CB-CE2 4.2Å; M238-F243 HydrophobicContact CB-CZ 4.24Å; M238-F243 HydrophobicContact CG-CZ 4.41Å; M238-F243 WeakPolarHBondContact O-CE2 3.46Å; M238-F243 HydrophobicContact SD-CZ 3.87Å; M238-F260 HydrophobicContact CE-CE2 4.05Å; M238-F260 HydrophobicContact CE-CZ 4.02Å; M238-F260 HydrophobicContact CG-CE2 3.88Å; M238-F260 HydrophobicContact SD-CE2 3.98Å; M238-F260 HydrophobicContact SD-CZ 4.33Å; M238-M261 HydrophobicContact CG-SD 3.85Å; M238-M261 HydrophobicContact SD-SD 3.89Å; M238-L270 HydrophobicContact CB-CD1 3.81Å
239K96.6Very high96Very high111 Ų11141.7 Ų41.748%0.48322%0.215SC..THydrogen-bonded Turntrans-57.5-23.4175.3-74.8169.8-159.1162.60113.7P235 D236 L237 V266 L270P235-K239 VanDerWaalsContact O-CG 3.31Å; P235-K239 WeakPolarHBondContact O-CG 3.25Å; P235-K239 PolarHBondContact O-N 3.22Å; D236-K239 IonicContact OD1-NZ 2.77Å; D236-K239 PolarHBondContact OD1-NZ 2.94Å; L237-K239 VanDerWaalsContact C-N 3.32Å; L237-K239 PolarHBondContact O-N 3.12Å; K239-V266 HydrophobicContact CD-CG1 4.44Å; K239-V266 HydrophobicContact CG-CG1 4.1Å; K239-L270 HydrophobicContact CG-CD1 4.21Å
240R96.1Very high96Very high83 Ų8341 Ų4131%0.31321%0.206SC..THydrogen-bonded Turntrans-85.4-17.7-178.8-59.1174.1178.1-79.710.5112.5C199 L202 D203 L237 M238 R295C199-R240 PolarHBondContact SG-NE 2.99Å; L202-R240 HydrophobicContact CB-CB 4.07Å; L202-R240 HydrophobicContact CD1-CB 4.39Å; D203-R240 IonicContact OD1-CZ 3.9Å; D203-R240 IonicContact OD1-NH1 2.88Å; D203-R240 PolarHBondContact OD1-NH1 3.32Å; D203-R240 IonicContact OD2-CZ 3.59Å; D203-R240 IonicContact OD2-NH1 2.59Å; D203-R240 PolarHBondContact OD2-NH1 2.8Å; L237-R240 WeakPolarHBondContact O-CB 3.22Å; L237-R240 PolarHBondContact O-N 3.04Å; L237-R240 VanDerWaalsContact O-N 3.08Å; M238-R240 PolarHBondContact O-N 2.85Å; M238-R240 VanDerWaalsContact O-N 3.08Å; R240-R295 PolarHBondContact O-NH2 3.14Å
241L95.7Very high95.9Very high3 Ų339.5 Ų39.52%0.01620%0.201CC..SBendtrans-81.7146.5179.3-62.5174.1000111.3L202 L215 F216 M238 F243L202-L241 HydrophobicContact CD1-CD2 4.49Å; L202-L241 HydrophobicContact CD2-CD2 3.82Å; L215-L241 HydrophobicContact CB-CD2 3.55Å; L215-L241 HydrophobicContact CD1-CD2 4.41Å; F216-L241 HydrophobicContact CB-CD1 3.87Å; F216-L241 HydrophobicContact CD2-CD1 3.84Å; F216-L241 HydrophobicContact CG-CD1 4.37Å; M238-L241 HydrophobicContact CE-CD1 4.15Å; M238-L241 PolarHBondContact O-N 3.32Å; M238-L241 HydrophobicContact SD-CD1 3.69Å; L241-F243 HydrophobicContact CB-CD2 4.26Å; L241-F243 HydrophobicContact CB-CE2 3.9Å; L241-F243 HydrophobicContact CB-CZ 4.14Å; L241-F243 HydrophobicContact CD1-CZ 4.02Å; L241-F243 PolarHBondContact O-N 3.45Å
242R95.3Very high95.9Very high29 Ų2940.8 Ų40.811%0.10921%0.211CC..  trans-101.972-179-56.9-173.8-174.6-1803109.9E212 A244 L245 M290 A291 R293 I294E212-R242 HydrophobicContact CG-CB 3.95Å; E212-R242 PolarHBondContact OE2-N 2.88Å; R242-A244 PolarHBondContact O-N 2.95Å; R242-L245 HydrophobicContact CB-CD1 3.85Å; R242-L245 HydrophobicContact CB-CG 3.93Å; R242-L245 WeakPolarHBondContact O-CB 3.21Å; R242-L245 PolarHBondContact O-N 3.16Å; R242-M290 VanDerWaalsContact CD-O 3.27Å; R242-M290 WeakPolarHBondContact CD-O 3.37Å; R242-M290 PolarHBondContact NE-O 2.9Å; R242-A291 CarbonylContact C-O 3.59Å; R242-A291 WeakPolarHBondContact CA-O 3.45Å; R242-A291 VanDerWaalsContact CB-O 3.28Å; R242-A291 WeakPolarHBondContact CB-O 3.41Å; R242-R293 WeakPolarHBondContact CD-O 3.37Å; R242-R293 PolarHBondContact NH1-O 2.94Å; R242-I294 PolarHBondContact NH1-O 2.97Å
243F95.5Very high95.9Very high4 Ų441.5 Ų41.52%0.01821%0.214CC..G310 helixtrans-55-26.5-173.9-71.5-80.2000114.5F216 M238 L241 L245 I246 L251 V255 M261 L270 A274F216-F243 AromaticContact CD2-CE1 3.84Å; F216-F243 HydrophobicContact CD2-CE1 3.84Å; F216-F243 HydrophobicContact CD2-CZ 4.11Å; F216-F243 HydrophobicContact CE2-CE1 4.21Å; F216-F243 HydrophobicContact CE2-CZ 4.45Å; M238-F243 HydrophobicContact CB-CE2 4.2Å; M238-F243 HydrophobicContact CB-CZ 4.24Å; M238-F243 HydrophobicContact CG-CZ 4.41Å; M238-F243 WeakPolarHBondContact O-CE2 3.46Å; M238-F243 HydrophobicContact SD-CZ 3.87Å; L241-F243 HydrophobicContact CB-CD2 4.26Å; L241-F243 HydrophobicContact CB-CE2 3.9Å; L241-F243 HydrophobicContact CB-CZ 4.14Å; L241-F243 HydrophobicContact CD1-CZ 4.02Å; L241-F243 PolarHBondContact O-N 3.45Å; F243-L245 PolarHBondContact O-N 2.98Å; F243-I246 HydrophobicContact CD1-CD1 3.9Å; F243-I246 HydrophobicContact CE1-CD1 4.45Å; F243-I246 WeakPolarHBondContact O-CB 3.5Å; F243-I246 PolarHBondContact O-N 2.92Å; F243-L251 HydrophobicContact CB-CD2 4.29Å; F243-L251 HydrophobicContact CD1-CD2 4.03Å; F243-V255 HydrophobicContact CD1-CG1 4.06Å; F243-V255 HydrophobicContact CE1-CG1 3.62Å; F243-M261 HydrophobicContact CE1-CE 3.96Å; F243-M261 HydrophobicContact CZ-CE 3.76Å; F243-M261 HydrophobicContact CZ-SD 4.42Å; F243-L270 HydrophobicContact CD2-CB 4.09Å; F243-L270 HydrophobicContact CE2-CB 4.08Å; F243-L270 HydrophobicContact CE2-CD1 4.21Å; F243-A274 HydrophobicContact CB-CB 3.54Å
244A94.8Very high95.8Very high6 Ų642.4 Ų42.45%0.0522%0.217CC..G310 helixtrans-74.2-1.3175.900000114.3R242 Y277 A291 R378R242-A244 PolarHBondContact O-N 2.95Å; A244-Y277 HydrophobicContact CB-CD1 3.63Å; A244-Y277 HydrophobicContact CB-CE1 3.94Å; A244-Y277 HydrophobicContact CB-CG 4.01Å; A244-A291 WeakPolarHBondContact CB-O 3.48Å; A244-A291 PolarHBondContact N-O 3.45Å; A244-R378 PolarHBondContact O-NH1 3.3Å
245L94.3Very high95.8Very high31 Ų3142.3 Ų42.316%0.16222%0.216CC..G310 helixtrans-98.10.3166.1-50-177.3000112.7E212 R242 F243 S292 R293 R378 F379E212-L245 HydrophobicContact CB-CB 4.39Å; E212-L245 HydrophobicContact CG-CB 3.79Å; E212-L245 HydrophobicContact CG-CD1 3.84Å; E212-L245 HydrophobicContact CG-CG 4.26Å; R242-L245 HydrophobicContact CB-CD1 3.85Å; R242-L245 HydrophobicContact CB-CG 3.93Å; R242-L245 WeakPolarHBondContact O-CB 3.21Å; R242-L245 PolarHBondContact O-N 3.16Å; F243-L245 PolarHBondContact O-N 2.98Å; L245-S292 VanDerWaalsContact CD2-O 3.28Å; L245-S292 WeakPolarHBondContact CD2-O 3.36Å; L245-R293 WeakPolarHBondContact CD1-O 3.27Å; L245-R378 HydrophobicContact CD2-CB 4.42Å; L245-R378 HydrophobicContact CD2-CG 3.96Å; L245-F379 WeakPolarHBondContact O-CE1 3.45Å
246I94.6Very high95.7Very high1 Ų144.6 Ų44.61%0.00523%0.226CC..SBendtrans-91.9129.5171.4-58.6179.9000107.5E212 L213 F216 F243 E250 L251 V255 H278E212-I246 HydrophobicContact CB-CD1 4.2Å; E212-I246 HydrophobicContact CB-CG1 3.68Å; L213-I246 HydrophobicContact CB-CD1 4.3Å; L213-I246 HydrophobicContact CB-CG1 4.24Å; L213-I246 HydrophobicContact CB-CG2 4.23Å; L213-I246 HydrophobicContact CD1-CD1 4.37Å; L213-I246 HydrophobicContact CD1-CG2 4.15Å; L213-I246 HydrophobicContact CD2-CG2 4.42Å; F216-I246 HydrophobicContact CB-CD1 4.49Å; F243-I246 HydrophobicContact CD1-CD1 3.9Å; F243-I246 HydrophobicContact CE1-CD1 4.45Å; F243-I246 WeakPolarHBondContact O-CB 3.5Å; F243-I246 PolarHBondContact O-N 2.92Å; I246-E250 HydrophobicContact CG2-CB 3.76Å; I246-L251 HydrophobicContact CB-CD2 3.77Å; I246-L251 HydrophobicContact CB-CG 4.02Å; I246-L251 HydrophobicContact CD1-CD2 4.24Å; I246-L251 HydrophobicContact CG2-CD2 3.85Å; I246-L251 HydrophobicContact CG2-CG 3.89Å; I246-V255 HydrophobicContact CD1-CG2 4.09Å; I246-H278 PolarHBondContact O-CE1 3.07Å; I246-H278 PolarHBondContact O-NE2 2.76Å; I246-H278 VanDerWaalsContact O-NE2 3.11Å
247P93.1Very high95.6Very high55 Ų5544.7 Ų44.736%0.35723%0.231SC..  trans-55.6143.8177-25.934.8000112.4P249 E250 L251 F379P247-P249 VanDerWaalsContact C-CD 3.49Å; P247-E250 HydrophobicContact CB-CB 4.44Å; P247-E250 HydrophobicContact CB-CG 4.09Å; P247-E250 HydrophobicContact CG-CG 4.28Å; P247-E250 WeakPolarHBondContact O-CB 3.34Å; P247-E250 PolarHBondContact O-N 3.28Å; P247-L251 PolarHBondContact O-N 2.84Å; P247-F379 HydrophobicContact CG-CD1 4.19Å; P247-F379 HydrophobicContact CG-CE1 4.01Å
248A93.8Very high95.6Very high41 Ų4145.8 Ų45.834%0.33924%0.238SC..Hα-helixtrans-55.6-40.7-176.300000114.9E250 L251 V252 H278A248-E250 VanDerWaalsContact C-N 3.32Å; A248-E250 PolarHBondContact O-N 3.34Å; A248-L251 PolarHBondContact O-N 3.03Å; A248-V252 PolarHBondContact O-N 2.62Å; A248-H278 HydrophobicContact CB-CB 3.89Å
249P94.9Very high95.5Very high80 Ų8050.5 Ų50.552%0.51926%0.263SS..Hα-helixtrans-60.5-41.4174.8-2435.3000112.5P247 L251 V252 E253P247-P249 VanDerWaalsContact C-CD 3.49Å; P249-L251 PolarHBondContact O-N 3.27Å; P249-V252 PolarHBondContact O-N 3.41Å; P249-V252 VanDerWaalsContact O-N 3.16Å; P249-E253 WeakPolarHBondContact O-CB 3.34Å; P249-E253 WeakPolarHBondContact O-CG 3.39Å; P249-E253 PolarHBondContact O-N 2.81Å
250E95.5Very high95.5Very high63 Ų6346 Ų4629%0.29424%0.244SC..Hα-helixtrans-69.1-32.8-179.3-61.4-75.1175.900112.2L213 I246 P247 A248 V252 R254 V255L213-E250 HydrophobicContact CD2-CB 3.75Å; L213-E250 HydrophobicContact CD2-CG 3.89Å; L213-E250 WeakPolarHBondContact CD2-OE2 3.34Å; I246-E250 HydrophobicContact CG2-CB 3.76Å; P247-E250 HydrophobicContact CB-CB 4.44Å; P247-E250 HydrophobicContact CB-CG 4.09Å; P247-E250 HydrophobicContact CG-CG 4.28Å; P247-E250 WeakPolarHBondContact O-CB 3.34Å; P247-E250 PolarHBondContact O-N 3.28Å; A248-E250 VanDerWaalsContact C-N 3.32Å; A248-E250 PolarHBondContact O-N 3.34Å; E250-V252 VanDerWaalsContact C-N 3.29Å; E250-V252 PolarHBondContact O-N 3.37Å; E250-R254 WeakPolarHBondContact O-CB 3.44Å; E250-R254 PolarHBondContact O-N 3.3Å; E250-R254 WeakPolarHBondContact OE2-CD 3.24Å; E250-R254 IonicContact OE2-NE 3.03Å; E250-R254 IonicContact OE2-NH1 2.72Å; E250-V255 PolarHBondContact O-N 2.79Å
251L96.1Very high95.6Very high0 Ų042.1 Ų42.10%023%0.229CC..Iπ-helixtrans-60-41171.6-74.4174.4000111.3F243 I246 P247 A248 P249 V255 Q256 L271 A274F243-L251 HydrophobicContact CB-CD2 4.29Å; F243-L251 HydrophobicContact CD1-CD2 4.03Å; I246-L251 HydrophobicContact CB-CD2 3.77Å; I246-L251 HydrophobicContact CB-CG 4.02Å; I246-L251 HydrophobicContact CD1-CD2 4.24Å; I246-L251 HydrophobicContact CG2-CD2 3.85Å; I246-L251 HydrophobicContact CG2-CG 3.89Å; P247-L251 PolarHBondContact O-N 2.84Å; A248-L251 PolarHBondContact O-N 3.03Å; P249-L251 PolarHBondContact O-N 3.27Å; L251-V255 HydrophobicContact CD2-CB 4.28Å; L251-V255 HydrophobicContact CD2-CG2 4.04Å; L251-V255 WeakPolarHBondContact O-CB 3.45Å; L251-V255 PolarHBondContact O-N 2.62Å; L251-Q256 WeakPolarHBondContact O-CB 3.41Å; L251-Q256 PolarHBondContact O-N 2.66Å; L251-L271 HydrophobicContact CB-CD1 4.36Å; L251-L271 HydrophobicContact CD2-CD1 4.22Å; L251-A274 HydrophobicContact CD1-CB 3.96Å
252V95Very high95.6Very high70 Ų7048.3 Ų48.342%0.42425%0.252SS..Iπ-helixtrans-76.3-47.7-179.5177.30000111.1A248 P249 E250 Q256 M275A248-V252 PolarHBondContact O-N 2.62Å; P249-V252 PolarHBondContact O-N 3.41Å; P249-V252 VanDerWaalsContact O-N 3.16Å; E250-V252 VanDerWaalsContact C-N 3.29Å; E250-V252 PolarHBondContact O-N 3.37Å; V252-Q256 WeakPolarHBondContact O-CB 3.46Å; V252-M275 HydrophobicContact CG2-CE 4.25Å
253E95.9Very high95.6Very high132 Ų13251.4 Ų51.462%0.61728%0.278SS*.Iπ-helixtrans-75.2-37.1-172.7-69.3177.2-172.100112.8P249 S257P249-E253 WeakPolarHBondContact O-CB 3.34Å; P249-E253 WeakPolarHBondContact O-CG 3.39Å; P249-E253 PolarHBondContact O-N 2.81Å; E253-S257 WeakPolarHBondContact O-CB 3.36Å; E253-S257 PolarHBondContact O-OG 2.79Å
254R96Very high95.7Very high91 Ų9153.1 Ų53.134%0.34329%0.288SS..Iπ-helixtrans-116.7-32.2-168.1-57.6-177.977.6-164.811.2114.8L213 E250 S257L213-R254 HydrophobicContact CD1-CB 4.21Å; L213-R254 VanDerWaalsContact CG-NH1 3.35Å; E250-R254 WeakPolarHBondContact O-CB 3.44Å; E250-R254 PolarHBondContact O-N 3.3Å; E250-R254 WeakPolarHBondContact OE2-CD 3.24Å; E250-R254 IonicContact OE2-NE 3.03Å; E250-R254 IonicContact OE2-NH1 2.72Å; R254-S257 WeakPolarHBondContact CA-OG 3.02Å; R254-S257 PolarHBondContact O-OG 3.09Å
255V97.4Very high95.8Very high0 Ų057.1 Ų57.10%031%0.313CS..Iπ-helixtrans-88.4-51.5-179.8-179.50000110.6L213 F216 F243 I246 E250 L251 S257 V258 M261 L271L213-V255 HydrophobicContact CD1-CG2 4.1Å; F216-V255 HydrophobicContact CD1-CG2 3.86Å; F216-V255 HydrophobicContact CD2-CG1 4.45Å; F216-V255 HydrophobicContact CE1-CB 4.14Å; F216-V255 HydrophobicContact CE1-CG1 4.23Å; F216-V255 HydrophobicContact CE1-CG2 3.87Å; F216-V255 HydrophobicContact CE2-CG1 3.94Å; F216-V255 HydrophobicContact CG-CG2 4.28Å; F216-V255 HydrophobicContact CZ-CB 4.19Å; F216-V255 HydrophobicContact CZ-CG1 3.81Å; F216-V255 HydrophobicContact CZ-CG2 4.29Å; F243-V255 HydrophobicContact CD1-CG1 4.06Å; F243-V255 HydrophobicContact CE1-CG1 3.62Å; I246-V255 HydrophobicContact CD1-CG2 4.09Å; E250-V255 PolarHBondContact O-N 2.79Å; L251-V255 HydrophobicContact CD2-CB 4.28Å; L251-V255 HydrophobicContact CD2-CG2 4.04Å; L251-V255 WeakPolarHBondContact O-CB 3.45Å; L251-V255 PolarHBondContact O-N 2.62Å; V255-S257 PolarHBondContact O-N 3.06Å; V255-V258 PolarHBondContact O-N 2.98Å; V255-M261 HydrophobicContact CG1-CE 3.74Å; V255-M261 HydrophobicContact CG1-CG 4.17Å; V255-M261 HydrophobicContact CG1-SD 4.45Å; V255-M261 WeakPolarHBondContact O-CB 3.19Å; V255-M261 WeakPolarHBondContact O-CG 3.36Å; V255-L271 HydrophobicContact CG1-CD1 4.08Å
256Q96.6Very high96Very high69 Ų6958.2 Ų58.232%0.32232%0.321SS..THydrogen-bonded Turntrans-64.8-25.8-179.6-173.8178.413.600113L251 V252 V258 R262 L271L251-Q256 WeakPolarHBondContact O-CB 3.41Å; L251-Q256 PolarHBondContact O-N 2.66Å; V252-Q256 WeakPolarHBondContact O-CB 3.46Å; Q256-V258 PolarHBondContact O-N 2.75Å; Q256-R262 HydrophobicContact CG-CG 4.49Å; Q256-R262 WeakPolarHBondContact O-CD 3.44Å; Q256-R262 WeakPolarHBondContact O-CG 3.41Å; Q256-R262 PolarHBondContact O-NE 2.99Å; Q256-L271 HydrophobicContact CB-CD2 3.84Å; Q256-L271 HydrophobicContact CG-CD2 3.95Å
257S96.1Very high96.1Very high69 Ų6958.2 Ų58.248%0.48332%0.321SS..THydrogen-bonded Turntrans-69.5-16.9177.852.60000113.7E253 R254 V255E253-S257 WeakPolarHBondContact O-CB 3.36Å; E253-S257 PolarHBondContact O-OG 2.79Å; R254-S257 WeakPolarHBondContact CA-OG 3.02Å; R254-S257 PolarHBondContact O-OG 3.09Å; V255-S257 PolarHBondContact O-N 3.06Å
258V97Very high96.3Very high24 Ų2460.8 Ų60.815%0.14533%0.328CS..SBendtrans-78.2129.6177-179.80000110.6F216 V220 V255 Q256 F260 M261F216-V258 HydrophobicContact CE1-CG2 3.94Å; F216-V258 HydrophobicContact CZ-CB 4.18Å; F216-V258 HydrophobicContact CZ-CG2 3.75Å; V220-V258 HydrophobicContact CG2-CG1 4.31Å; V220-V258 HydrophobicContact CG2-CG2 4.31Å; V255-V258 PolarHBondContact O-N 2.98Å; Q256-V258 PolarHBondContact O-N 2.75Å; V258-F260 HydrophobicContact CG1-CD1 3.54Å; V258-F260 HydrophobicContact CG1-CE1 3.31Å; V258-F260 HydrophobicContact CG1-CG 4.25Å; V258-F260 HydrophobicContact CG1-CZ 3.85Å; V258-F260 PolarHBondContact O-N 3.32Å; V258-M261 HydrophobicContact CB-CB 4.44Å; V258-M261 HydrophobicContact CB-CG 3.99Å; V258-M261 HydrophobicContact CG1-CG 4.3Å; V258-M261 WeakPolarHBondContact O-CB 3.46Å; V258-M261 PolarHBondContact O-N 2.78Å; V258-M261 VanDerWaalsContact O-N 3.13Å
259D95.7Very high96.5Very high98 Ų9865.3 Ų65.352%0.52434%0.34SS..Hα-helixtrans-59.7-47.3-169.9-73.9-23.1000114.1M261 R262 S263D259-M261 PolarHBondContact O-N 3.36Å; D259-R262 PolarHBondContact O-N 2.92Å; D259-R262 IonicContact OD1-CZ 3.84Å; D259-R262 IonicContact OD1-NH2 2.72Å; D259-R262 PolarHBondContact OD1-NH2 3.49Å; D259-S263 PolarHBondContact O-N 3.34Å; D259-S263 PolarHBondContact O-OG 2.88Å
260F96.3Very high96.6Very high18 Ų1863.3 Ų63.38%0.07933%0.325CS..Hα-helixtrans-66.9-22.9-179.371.6-102.6000112.8V220 L223 M231 A234 M238 V258 R262 S263 D264V220-F260 HydrophobicContact CG2-CE1 4.16Å; V220-F260 HydrophobicContact CG2-CZ 3.95Å; L223-F260 HydrophobicContact CD1-CE1 3.95Å; L223-F260 HydrophobicContact CD1-CZ 3.79Å; M231-F260 HydrophobicContact CE-CD1 4.46Å; M231-F260 HydrophobicContact SD-CB 4.36Å; M231-F260 HydrophobicContact SD-CD1 3.83Å; M231-F260 HydrophobicContact SD-CE1 4.47Å; M231-F260 HydrophobicContact SD-CG 4.27Å; A234-F260 HydrophobicContact CB-CD2 3.86Å; A234-F260 HydrophobicContact CB-CE2 3.99Å; A234-F260 HydrophobicContact CB-CG 4.24Å; A234-F260 HydrophobicContact CB-CZ 4.44Å; M238-F260 HydrophobicContact CE-CE2 4.05Å; M238-F260 HydrophobicContact CE-CZ 4.02Å; M238-F260 HydrophobicContact CG-CE2 3.88Å; M238-F260 HydrophobicContact SD-CE2 3.98Å; M238-F260 HydrophobicContact SD-CZ 4.33Å; V258-F260 HydrophobicContact CG1-CD1 3.54Å; V258-F260 HydrophobicContact CG1-CE1 3.31Å; V258-F260 HydrophobicContact CG1-CG 4.25Å; V258-F260 HydrophobicContact CG1-CZ 3.85Å; V258-F260 PolarHBondContact O-N 3.32Å; F260-R262 PolarHBondContact O-N 3.49Å; F260-S263 WeakPolarHBondContact CA-OG 3.5Å; F260-D264 VanDerWaalsContact O-CB 3.29Å; F260-D264 WeakPolarHBondContact O-CB 3.35Å; F260-D264 PolarHBondContact O-N 3.31Å
261M97.6Very high96.7Very high0 Ų060.9 Ų60.90%031%0.314CS..Hα-helixtrans-66.8-21.2172.9-66.7-59.1-58.600112.5F216 M238 F243 V255 V258 D259 C267 Q268 L271F216-M261 HydrophobicContact CE2-CG 3.96Å; F216-M261 HydrophobicContact CE2-SD 3.79Å; F216-M261 HydrophobicContact CZ-CG 3.93Å; F216-M261 HydrophobicContact CZ-SD 4.39Å; M238-M261 HydrophobicContact CG-SD 3.85Å; M238-M261 HydrophobicContact SD-SD 3.89Å; F243-M261 HydrophobicContact CE1-CE 3.96Å; F243-M261 HydrophobicContact CZ-CE 3.76Å; F243-M261 HydrophobicContact CZ-SD 4.42Å; V255-M261 HydrophobicContact CG1-CE 3.74Å; V255-M261 HydrophobicContact CG1-CG 4.17Å; V255-M261 HydrophobicContact CG1-SD 4.45Å; V255-M261 WeakPolarHBondContact O-CB 3.19Å; V255-M261 WeakPolarHBondContact O-CG 3.36Å; V258-M261 HydrophobicContact CB-CB 4.44Å; V258-M261 HydrophobicContact CB-CG 3.99Å; V258-M261 HydrophobicContact CG1-CG 4.3Å; V258-M261 WeakPolarHBondContact O-CB 3.46Å; V258-M261 PolarHBondContact O-N 2.78Å; V258-M261 VanDerWaalsContact O-N 3.13Å; D259-M261 PolarHBondContact O-N 3.36Å; M261-C267 HydrophobicContact CE-CB 4.06Å; M261-C267 HydrophobicContact SD-CB 3.76Å; M261-Q268 WeakPolarHBondContact O-CA 3.18Å; M261-Q268 PolarHBondContact O-N 3.44Å; M261-L271 HydrophobicContact CE-CB 4.14Å
262R95.3Very high96.7Very high133 Ų13365.3 Ų65.350%0.50234%0.337SS..Hα-helixtrans-100.6-31178.3-62.6-176.3-70148.4-0.6113.2Q256 D259 F260Q256-R262 HydrophobicContact CG-CG 4.49Å; Q256-R262 WeakPolarHBondContact O-CD 3.44Å; Q256-R262 WeakPolarHBondContact O-CG 3.41Å; Q256-R262 PolarHBondContact O-NE 2.99Å; D259-R262 PolarHBondContact O-N 2.92Å; D259-R262 IonicContact OD1-CZ 3.84Å; D259-R262 IonicContact OD1-NH2 2.72Å; D259-R262 PolarHBondContact OD1-NH2 3.49Å; F260-R262 PolarHBondContact O-N 3.49Å
263S95.5Very high96.7Very high94 Ų9465.9 Ų65.966%0.65734%0.338SS*.Hα-helixtrans-93.5-31.9-175.3610000114.1D259 F260D259-S263 PolarHBondContact O-N 3.34Å; D259-S263 PolarHBondContact O-OG 2.88Å; F260-S263 WeakPolarHBondContact CA-OG 3.5Å
264D97.7Very high96.7Very high40 Ų4059.8 Ų59.821%0.21431%0.31CS..SBendtrans-82.3126.6178.1178.2-97.3000111.4P235 F260 V266 C267 Q268P235-D264 WeakPolarHBondContact CG-OD2 3.45Å; F260-D264 VanDerWaalsContact O-CB 3.29Å; F260-D264 WeakPolarHBondContact O-CB 3.35Å; F260-D264 PolarHBondContact O-N 3.31Å; D264-V266 VanDerWaalsContact C-N 3.3Å; D264-V266 PolarHBondContact O-N 3.44Å; D264-V266 WeakPolarHBondContact OD1-CA 3.27Å; D264-V266 VanDerWaalsContact OD1-CB 3.3Å; D264-V266 WeakPolarHBondContact OD1-CB 3.47Å; D264-V266 PolarHBondContact OD1-N 3.48Å; D264-C267 HydrophobicContact CB-CB 4.06Å; D264-C267 PolarHBondContact O-N 3.47Å; D264-C267 PolarHBondContact OD1-N 2.62Å; D264-C267 PolarHBondContact OD1-SG 3.01Å; D264-Q268 WeakPolarHBondContact O-CB 3.4Å; D264-Q268 PolarHBondContact O-N 2.93Å
265P97.8Very high96.6Very high91 Ų9158.5 Ų58.559%0.59131%0.309SS*.Hα-helixtrans-61.8-32.9-176.2-25.334.3000114.6K269P265-K269 WeakPolarHBondContact O-CB 3.23Å; P265-K269 PolarHBondContact O-N 3.42Å; P265-K269 VanDerWaalsContact O-N 3.15Å
266V97.9Very high96.5Very high54 Ų5461.2 Ų61.233%0.32732%0.323SS..Hα-helixtrans-72.8-47.6179.8178.60000109.5P235 K239 D264 Q268 K269 L270P235-V266 HydrophobicContact CB-CB 4.07Å; P235-V266 HydrophobicContact CB-CG1 4.28Å; P235-V266 HydrophobicContact CB-CG2 4.39Å; K239-V266 HydrophobicContact CD-CG1 4.44Å; K239-V266 HydrophobicContact CG-CG1 4.1Å; D264-V266 VanDerWaalsContact C-N 3.3Å; D264-V266 PolarHBondContact O-N 3.44Å; D264-V266 WeakPolarHBondContact OD1-CA 3.27Å; D264-V266 VanDerWaalsContact OD1-CB 3.3Å; D264-V266 WeakPolarHBondContact OD1-CB 3.47Å; D264-V266 PolarHBondContact OD1-N 3.48Å; V266-Q268 VanDerWaalsContact C-N 3.33Å; V266-Q268 PolarHBondContact O-N 3.25Å; V266-K269 PolarHBondContact O-N 2.87Å; V266-L270 HydrophobicContact CG1-CD1 4.31Å; V266-L270 WeakPolarHBondContact O-CG 3.4Å; V266-L270 PolarHBondContact O-N 2.99Å
267C97.8Very high96.4Very high0 Ų058.5 Ų58.50%031%0.31CS..Hα-helixtrans-61.3-43177.9-59.10000111.6M261 D264 K269 L270 L271M261-C267 HydrophobicContact CE-CB 4.06Å; M261-C267 HydrophobicContact SD-CB 3.76Å; D264-C267 HydrophobicContact CB-CB 4.06Å; D264-C267 PolarHBondContact O-N 3.47Å; D264-C267 PolarHBondContact OD1-N 2.62Å; D264-C267 PolarHBondContact OD1-SG 3.01Å; C267-K269 VanDerWaalsContact C-N 3.32Å; C267-K269 PolarHBondContact O-N 3.09Å; C267-L270 PolarHBondContact O-N 3.2Å; C267-L271 PolarHBondContact O-N 2.79Å
268Q97.6Very high96.3Very high110 Ų11056.5 Ų56.551%0.51429%0.293SS..Hα-helixtrans-60.2-42.5176.7-174.3-1785100111.7M261 D264 V266 L271 L272M261-Q268 WeakPolarHBondContact O-CA 3.18Å; M261-Q268 PolarHBondContact O-N 3.44Å; D264-Q268 WeakPolarHBondContact O-CB 3.4Å; D264-Q268 PolarHBondContact O-N 2.93Å; V266-Q268 VanDerWaalsContact C-N 3.33Å; V266-Q268 PolarHBondContact O-N 3.25Å; Q268-L271 PolarHBondContact O-N 2.86Å; Q268-L272 WeakPolarHBondContact O-CB 3.1Å; Q268-L272 PolarHBondContact O-N 3.46Å
269K97.4Very high96.1Very high135 Ų13561.5 Ų61.559%0.58732%0.318SS*.Hα-helixtrans-62.9-45.8176.5-177.3-179.9176.6-177.60111.9P265 V266 C267 L271 L272 D273P265-K269 WeakPolarHBondContact O-CB 3.23Å; P265-K269 PolarHBondContact O-N 3.42Å; P265-K269 VanDerWaalsContact O-N 3.15Å; V266-K269 PolarHBondContact O-N 2.87Å; C267-K269 VanDerWaalsContact C-N 3.32Å; C267-K269 PolarHBondContact O-N 3.09Å; K269-L271 VanDerWaalsContact C-N 3.31Å; K269-L271 PolarHBondContact O-N 3.47Å; K269-L272 PolarHBondContact O-N 3.42Å; K269-D273 WeakPolarHBondContact O-CB 3.43Å; K269-D273 VanDerWaalsContact O-CG 3.32Å; K269-D273 PolarHBondContact O-N 3.13Å
270L97.4Very high95.8Very high39 Ų3960.4 Ų60.420%0.20431%0.311CS..Hα-helixtrans-59.3-43178.2-69.1169.5000111.8M238 K239 F243 V266 C267 A274M238-L270 HydrophobicContact CB-CD1 3.81Å; K239-L270 HydrophobicContact CG-CD1 4.21Å; F243-L270 HydrophobicContact CD2-CB 4.09Å; F243-L270 HydrophobicContact CE2-CB 4.08Å; F243-L270 HydrophobicContact CE2-CD1 4.21Å; V266-L270 HydrophobicContact CG1-CD1 4.31Å; V266-L270 WeakPolarHBondContact O-CG 3.4Å; V266-L270 PolarHBondContact O-N 2.99Å; C267-L270 PolarHBondContact O-N 3.2Å; L270-A274 WeakPolarHBondContact O-CB 3.39Å; L270-A274 PolarHBondContact O-N 2.85Å; L270-A274 VanDerWaalsContact O-N 3.08Å
271L96.5Very high95.5Very high11 Ų1162.1 Ų62.16%0.05832%0.324CS..Hα-helixtrans-63.9-46.3175.8179.661.1000111.6L251 V255 Q256 M261 C267 Q268 K269 D273 A274 M275L251-L271 HydrophobicContact CB-CD1 4.36Å; L251-L271 HydrophobicContact CD2-CD1 4.22Å; V255-L271 HydrophobicContact CG1-CD1 4.08Å; Q256-L271 HydrophobicContact CB-CD2 3.84Å; Q256-L271 HydrophobicContact CG-CD2 3.95Å; M261-L271 HydrophobicContact CE-CB 4.14Å; C267-L271 PolarHBondContact O-N 2.79Å; Q268-L271 PolarHBondContact O-N 2.86Å; K269-L271 VanDerWaalsContact C-N 3.31Å; K269-L271 PolarHBondContact O-N 3.47Å; L271-D273 PolarHBondContact O-N 2.84Å; L271-A274 PolarHBondContact O-N 2.82Å; L271-M275 HydrophobicContact CD1-CG 4.35Å; L271-M275 HydrophobicContact CD1-SD 4.4Å; L271-M275 HydrophobicContact CG-SD 4.19Å; L271-M275 WeakPolarHBondContact O-CG 3.41Å; L271-M275 PolarHBondContact O-N 2.76Å
272L95.6Very high95Very high94 Ų9465.3 Ų65.349%0.49234%0.338SS..Hα-helixtrans-60.9-43.8178.3-176.570.1000111.9Q268 K269 A274 M275 N276Q268-L272 WeakPolarHBondContact O-CB 3.1Å; Q268-L272 PolarHBondContact O-N 3.46Å; K269-L272 PolarHBondContact O-N 3.42Å; L272-A274 VanDerWaalsContact C-N 3.33Å; L272-A274 PolarHBondContact O-N 2.92Å; L272-M275 PolarHBondContact O-N 2.64Å; L272-N276 WeakPolarHBondContact O-CB 3.44Å; L272-N276 VanDerWaalsContact O-CG 3.25Å; L272-N276 PolarHBondContact O-N 2.78Å; L272-N276 PolarHBondContact O-ND2 2.78Å
273D95.3Very high94.8Very high81 Ų8163.3 Ų63.343%0.43333%0.331SS..Hα-helixtrans-61.8-42.4177.9-74.2-20.5000111.1K269 L271 N276 Y277K269-D273 WeakPolarHBondContact O-CB 3.43Å; K269-D273 VanDerWaalsContact O-CG 3.32Å; K269-D273 PolarHBondContact O-N 3.13Å; L271-D273 PolarHBondContact O-N 2.84Å; D273-N276 PolarHBondContact O-N 2.94Å; D273-Y277 WeakPolarHBondContact O-CB 3.37Å; D273-Y277 PolarHBondContact O-N 2.79Å
274A95.8Very high94.7Very high5 Ų559.2 Ų59.24%0.04130%0.301CS..Hα-helixtrans-64.2-47.1174.900000112.1F243 L251 L270 L271 L272 N276 Y277 H278F243-A274 HydrophobicContact CB-CB 3.54Å; L251-A274 HydrophobicContact CD1-CB 3.96Å; L270-A274 WeakPolarHBondContact O-CB 3.39Å; L270-A274 PolarHBondContact O-N 2.85Å; L270-A274 VanDerWaalsContact O-N 3.08Å; L271-A274 PolarHBondContact O-N 2.82Å; L272-A274 VanDerWaalsContact C-N 3.33Å; L272-A274 PolarHBondContact O-N 2.92Å; A274-N276 VanDerWaalsContact C-N 3.34Å; A274-N276 PolarHBondContact O-N 2.86Å; A274-Y277 WeakPolarHBondContact O-CB 3.49Å; A274-Y277 PolarHBondContact O-N 2.93Å; A274-Y277 VanDerWaalsContact O-N 3.11Å; A274-H278 PolarHBondContact O-CD2 2.8Å; A274-H278 PolarHBondContact O-N 2.84Å
275M94.7Very high94.4Very high64 Ų6457.9 Ų57.932%0.31529%0.293SS..Hα-helixtrans-58.8-46.1176.4-69.217979.200111.4V252 L271 L272 Y277 H278 L279V252-M275 HydrophobicContact CG2-CE 4.25Å; L271-M275 HydrophobicContact CD1-CG 4.35Å; L271-M275 HydrophobicContact CD1-SD 4.4Å; L271-M275 HydrophobicContact CG-SD 4.19Å; L271-M275 WeakPolarHBondContact O-CG 3.41Å; L271-M275 PolarHBondContact O-N 2.76Å; L272-M275 PolarHBondContact O-N 2.64Å; M275-Y277 PolarHBondContact O-N 2.83Å; M275-H278 PolarHBondContact O-N 2.98Å; M275-L279 WeakPolarHBondContact O-CG 3.42Å; M275-L279 PolarHBondContact O-N 3.03Å
276N94.4Very high94Very high56 Ų5656.2 Ų56.230%0.29928%0.283SS..Hα-helixtrans-60.8-33176.3-77.4-29.2000113.1L272 D273 A274 R287L272-N276 WeakPolarHBondContact O-CB 3.44Å; L272-N276 VanDerWaalsContact O-CG 3.25Å; L272-N276 PolarHBondContact O-N 2.78Å; L272-N276 PolarHBondContact O-ND2 2.78Å; D273-N276 PolarHBondContact O-N 2.94Å; A274-N276 VanDerWaalsContact C-N 3.34Å; A274-N276 PolarHBondContact O-N 2.86Å; N276-R287 PolarHBondContact O-NH1 3.34Å; N276-R287 VanDerWaalsContact O-NH1 3.14Å
277Y94.7Very high93.6Very high12 Ų1258.6 Ų58.65%0.04729%0.286CS..Hα-helixtrans-68.6-37.5174.2178.8-87.1000112A244 D273 A274 M275 Q284 R287 Q288 R378A244-Y277 HydrophobicContact CB-CD1 3.63Å; A244-Y277 HydrophobicContact CB-CE1 3.94Å; A244-Y277 HydrophobicContact CB-CG 4.01Å; D273-Y277 WeakPolarHBondContact O-CB 3.37Å; D273-Y277 PolarHBondContact O-N 2.79Å; A274-Y277 WeakPolarHBondContact O-CB 3.49Å; A274-Y277 PolarHBondContact O-N 2.93Å; A274-Y277 VanDerWaalsContact O-N 3.11Å; M275-Y277 PolarHBondContact O-N 2.83Å; Y277-Q284 HydrophobicContact CD1-CG 4.13Å; Y277-Q284 HydrophobicContact CE1-CB 4.14Å; Y277-Q284 HydrophobicContact CE1-CG 3.61Å; Y277-Q284 HydrophobicContact CE2-CB 4.01Å; Y277-Q284 HydrophobicContact CE2-CG 4.06Å; Y277-Q284 WeakPolarHBondContact CE2-O 3.28Å; Y277-Q284 WeakPolarHBondContact O-CG 3.31Å; Y277-Q284 PolarHBondContact O-NE2 2.77Å; Y277-Q284 WeakPolarHBondContact OH-CB 3.29Å; Y277-R287 HydrophobicContact CD2-CB 3.98Å; Y277-R287 HydrophobicContact CE2-CB 4.12Å; Y277-Q288 PolarHBondContact OH-NE2 3Å; Y277-R378 VanDerWaalsContact CZ-NH1 3.31Å; Y277-R378 VanDerWaalsContact OH-CZ 3.25Å; Y277-R378 PolarHBondContact OH-NH1 2.87Å; Y277-R378 PolarHBondContact OH-NH2 2.85Å
278H94.4Very high93.3Very high28 Ų2860.2 Ų60.213%0.1329%0.294CS..Hα-helixtrans-75.2-26.9176.5-73.3-71.8000114I246 A248 A274 M275 M280 F379I246-H278 PolarHBondContact O-CE1 3.07Å; I246-H278 PolarHBondContact O-NE2 2.76Å; I246-H278 VanDerWaalsContact O-NE2 3.11Å; A248-H278 HydrophobicContact CB-CB 3.89Å; A274-H278 PolarHBondContact O-CD2 2.8Å; A274-H278 PolarHBondContact O-N 2.84Å; M275-H278 PolarHBondContact O-N 2.98Å; H278-M280 PolarHBondContact O-N 2.91Å; H278-F379 AromaticContact CE1-CE2 3.98Å; H278-F379 AromaticContact CE1-CZ 3.78Å
279L93.4Very high93Very high128 Ų12858.7 Ų58.767%0.6729%0.292SS*.THydrogen-bonded Turntrans-66.2-18.2178.4-75.2173.8000114.5M275M275-L279 WeakPolarHBondContact O-CG 3.42Å; M275-L279 PolarHBondContact O-N 3.03Å
280M88.6Confident92.6Very high75 Ų7559.4 Ų59.437%0.36930%0.3SS..  trans-12671-179.6-61.8-178.3-178.500111.9H278 F282 R283 Q284H278-M280 PolarHBondContact O-N 2.91Å; M280-F282 VanDerWaalsContact C-N 3.28Å; M280-F282 PolarHBondContact O-N 2.54Å; M280-R283 HydrophobicContact CB-CB 4.12Å; M280-R283 PolarHBondContact O-N 3.31Å; M280-Q284 PolarHBondContact O-N 2.84Å
281P89.8Confident92.2Very high55 Ų5559.4 Ų59.436%0.35731%0.305SS..G310 helixtrans-53.5-41.6-174.3-27.935.5000113.8R283 Q284 R374 I383P281-R283 VanDerWaalsContact C-N 3.33Å; P281-R283 PolarHBondContact O-N 2.77Å; P281-Q284 WeakPolarHBondContact O-CB 3.49Å; P281-Q284 WeakPolarHBondContact O-CG 3.4Å; P281-Q284 PolarHBondContact O-N 2.92Å; P281-Q284 PolarHBondContact O-OE1 3.29Å; P281-R374 VanDerWaalsContact O-CZ 3.27Å; P281-R374 PolarHBondContact O-NH1 3.26Å; P281-R374 PolarHBondContact O-NH2 2.86Å; P281-I383 HydrophobicContact CB-CD1 4.04Å
282F88.3Confident92Very high66 Ų6658.9 Ų58.929%0.28930%0.302SS..G310 helixtrans-66.9-30.5-179.972.5-87.3000112.9M280 H285 L385 N427M280-F282 VanDerWaalsContact C-N 3.28Å; M280-F282 PolarHBondContact O-N 2.54Å; F282-H285 PolarHBondContact O-CE1 2.82Å; F282-H285 PolarHBondContact O-ND1 2.99Å; F282-L385 HydrophobicContact CB-CD2 3.95Å; F282-N427 HydrophobicContact CD2-CB 3.59Å; F282-N427 WeakPolarHBondContact CD2-OD1 3.49Å; F282-N427 HydrophobicContact CE2-CB 3.6Å
283R90.5Very high91.8Very high92 Ų9261.1 Ų61.135%0.34730%0.304SS..G310 helixtrans-89.40.9179.7-65.3-165.7162167.7-3.7114.8M280 P281 H285 C286 R287 E425M280-R283 HydrophobicContact CB-CB 4.12Å; M280-R283 PolarHBondContact O-N 3.31Å; P281-R283 VanDerWaalsContact C-N 3.33Å; P281-R283 PolarHBondContact O-N 2.77Å; R283-H285 PolarHBondContact O-N 2.83Å; R283-C286 WeakPolarHBondContact O-CB 3.09Å; R283-C286 PolarHBondContact O-N 2.88Å; R283-R287 PolarHBondContact O-N 2.82Å; R283-E425 PolarHBondContact NE-O 3.36Å; R283-E425 PolarHBondContact NH2-O 2.78Å
284Q94.1Very high91.6Very high8 Ų858 Ų584%0.03729%0.287CS..THydrogen-bonded Turntrans-57.3-36.6-175.1-78.7179.1-26.700113Y277 M280 P281 C286 R287 Q288 F350Y277-Q284 HydrophobicContact CD1-CG 4.13Å; Y277-Q284 HydrophobicContact CE1-CB 4.14Å; Y277-Q284 HydrophobicContact CE1-CG 3.61Å; Y277-Q284 HydrophobicContact CE2-CB 4.01Å; Y277-Q284 HydrophobicContact CE2-CG 4.06Å; Y277-Q284 WeakPolarHBondContact CE2-O 3.28Å; Y277-Q284 WeakPolarHBondContact O-CG 3.31Å; Y277-Q284 PolarHBondContact O-NE2 2.77Å; Y277-Q284 WeakPolarHBondContact OH-CB 3.29Å; M280-Q284 PolarHBondContact O-N 2.84Å; P281-Q284 WeakPolarHBondContact O-CB 3.49Å; P281-Q284 WeakPolarHBondContact O-CG 3.4Å; P281-Q284 PolarHBondContact O-N 2.92Å; P281-Q284 PolarHBondContact O-OE1 3.29Å; Q284-C286 VanDerWaalsContact C-N 3.34Å; Q284-C286 PolarHBondContact O-N 2.8Å; Q284-R287 CarbonylContact O-C 3.46Å; Q284-R287 PolarHBondContact O-N 2.77Å; Q284-R287 VanDerWaalsContact O-N 3.12Å; Q284-Q288 PolarHBondContact O-NE2 3.11Å; Q284-F350 HydrophobicContact CB-CE2 4.45Å; Q284-F350 HydrophobicContact CB-CZ 3.99Å
285H90.9Very high91.3Very high11 Ų1158.4 Ų58.45%0.05129%0.288CS..G310 helixtrans-64-36.5176.264.7-85.9000112.1F282 R283 R287 V347 E348 F350 L424F282-H285 PolarHBondContact O-CE1 2.82Å; F282-H285 PolarHBondContact O-ND1 2.99Å; R283-H285 PolarHBondContact O-N 2.83Å; H285-R287 PolarHBondContact O-N 2.78Å; H285-V347 HydrophobicContact CB-CG1 4.02Å; H285-E348 HydrophobicContact CB-CB 4.12Å; H285-E348 WeakPolarHBondContact O-CG 3.11Å; H285-F350 HydrophobicContact CB-CD2 3.57Å; H285-F350 HydrophobicContact CB-CE2 3.86Å; H285-L424 PolarHBondContact CE1-O 3.25Å; H285-L424 VanDerWaalsContact NE2-CB 3.28Å; H285-L424 WeakPolarHBondContact NE2-CB 3.49Å; H285-L424 PolarHBondContact NE2-O 3.27Å
286C89.4Confident91Very high56 Ų5656.5 Ų56.538%0.37828%0.281SS..G310 helixtrans-70.8-15174.2-56.10000114.1R283 Q284R283-C286 WeakPolarHBondContact O-CB 3.09Å; R283-C286 PolarHBondContact O-N 2.88Å; Q284-C286 VanDerWaalsContact C-N 3.34Å; Q284-C286 PolarHBondContact O-N 2.8Å
287R89.6Confident90.5Very high104 Ų10460.1 Ų60.139%0.39230%0.3SS..G310 helixtrans-113.527.2-173.4-58-177.283.4-178.94.6112.1N276 Y277 R283 Q284 H285 T289N276-R287 PolarHBondContact O-NH1 3.34Å; N276-R287 VanDerWaalsContact O-NH1 3.14Å; Y277-R287 HydrophobicContact CD2-CB 3.98Å; Y277-R287 HydrophobicContact CE2-CB 4.12Å; R283-R287 PolarHBondContact O-N 2.82Å; Q284-R287 CarbonylContact O-C 3.46Å; Q284-R287 PolarHBondContact O-N 2.77Å; Q284-R287 VanDerWaalsContact O-N 3.12Å; H285-R287 PolarHBondContact O-N 2.78Å; R287-T289 PolarHBondContact O-N 2.84Å
288Q90.4Very high90.1Very high35 Ų3562.9 Ų62.916%0.16431%0.312CS..  trans-66.1128.7177.9-74.2-48.1-62.600111.7Y277 Q284 S292 E348Y277-Q288 PolarHBondContact OH-NE2 3Å; Q284-Q288 PolarHBondContact O-NE2 3.11Å; Q288-S292 WeakPolarHBondContact CA-OG 3.41Å; Q288-S292 VanDerWaalsContact CD-OG 3.29Å; Q288-S292 PolarHBondContact OE1-O 3.13Å; Q288-S292 PolarHBondContact OE1-OG 3.3Å; Q288-E348 HydrophobicContact CG-CB 3.75Å; Q288-E348 HydrophobicContact CG-CG 4.38Å
289T91.6Very high90Very high77 Ų7765.6 Ų65.647%0.47232%0.322SS..  trans-134.7177.9170.665.50000109.1R287 A291 S292 R293R287-T289 PolarHBondContact O-N 2.84Å; T289-A291 PolarHBondContact O-N 2.84Å; T289-A291 VanDerWaalsContact O-N 3.17Å; T289-A291 PolarHBondContact OG1-N 2.62Å; T289-S292 PolarHBondContact N-OG 3.4Å; T289-S292 PolarHBondContact O-N 3.22Å; T289-S292 VanDerWaalsContact O-N 3.11Å; T289-S292 PolarHBondContact O-OG 3.18Å; T289-S292 VanDerWaalsContact O-OG 3.12Å; T289-R293 WeakPolarHBondContact O-CG 3.47Å; T289-R293 PolarHBondContact O-N 2.81Å
290M89.1Confident90Very high151 Ų15160.2 Ų60.274%0.74429%0.293SS*.THydrogen-bonded Turntrans-55.2-32.3171.9-166.3176.6-163.400112.1R242 S292R242-M290 VanDerWaalsContact CD-O 3.27Å; R242-M290 WeakPolarHBondContact CD-O 3.37Å; R242-M290 PolarHBondContact NE-O 2.9Å; M290-S292 VanDerWaalsContact C-N 3.3Å; M290-S292 PolarHBondContact O-N 3.24Å
291A89.8Confident90.3Very high38 Ų3856.8 Ų56.831%0.31428%0.276SS..THydrogen-bonded Turntrans-75.1-10.5-179.300000114.8R242 A244 T289R242-A291 CarbonylContact C-O 3.59Å; R242-A291 WeakPolarHBondContact CA-O 3.45Å; R242-A291 VanDerWaalsContact CB-O 3.28Å; R242-A291 WeakPolarHBondContact CB-O 3.41Å; A244-A291 WeakPolarHBondContact CB-O 3.48Å; A244-A291 PolarHBondContact N-O 3.45Å; T289-A291 PolarHBondContact O-N 2.84Å; T289-A291 VanDerWaalsContact O-N 3.17Å; T289-A291 PolarHBondContact OG1-N 2.62Å
292S91.4Very high90.7Very high1 Ų154.2 Ų54.21%0.00726%0.259CS..THydrogen-bonded Turntrans-115.5-7.6-179.6670000114.4L245 Q288 T289 M290L245-S292 VanDerWaalsContact CD2-O 3.28Å; L245-S292 WeakPolarHBondContact CD2-O 3.36Å; Q288-S292 WeakPolarHBondContact CA-OG 3.41Å; Q288-S292 VanDerWaalsContact CD-OG 3.29Å; Q288-S292 PolarHBondContact OE1-O 3.13Å; Q288-S292 PolarHBondContact OE1-OG 3.3Å; T289-S292 PolarHBondContact N-OG 3.4Å; T289-S292 PolarHBondContact O-N 3.22Å; T289-S292 VanDerWaalsContact O-N 3.11Å; T289-S292 PolarHBondContact O-OG 3.18Å; T289-S292 VanDerWaalsContact O-OG 3.12Å; M290-S292 VanDerWaalsContact C-N 3.3Å; M290-S292 PolarHBondContact O-N 3.24Å
293R91.4Very high91.1Very high140 Ų14051.1 Ų51.153%0.52825%0.246SC..SBendtrans-83.4140.5-179.1-75.7174.7177-167-1.9111R242 L245 T289R242-R293 WeakPolarHBondContact CD-O 3.37Å; R242-R293 PolarHBondContact NH1-O 2.94Å; L245-R293 WeakPolarHBondContact CD1-O 3.27Å; T289-R293 WeakPolarHBondContact O-CG 3.47Å; T289-R293 PolarHBondContact O-N 2.81Å
294I92Very high91.4Very high16 Ų1646.8 Ų46.88%0.08223%0.23CC..  trans-60142.7175.5-69.5173.2000110.8R242 S296 P377 R378 I597 P599R242-I294 PolarHBondContact NH1-O 2.97Å; I294-S296 PolarHBondContact O-N 3.09Å; I294-P377 HydrophobicContact CD1-CB 4.26Å; I294-P377 HydrophobicContact CD1-CG 4.08Å; I294-R378 HydrophobicContact CD1-CG 3.66Å; I294-R378 HydrophobicContact CG1-CG 3.55Å; I294-I597 HydrophobicContact CB-CG2 4.26Å; I294-I597 VanDerWaalsContact CD1-O 3.31Å; I294-I597 WeakPolarHBondContact CD1-O 3.47Å; I294-I597 HydrophobicContact CG2-CG2 4.09Å; I294-P599 HydrophobicContact CD1-CG 3.91Å; I294-P599 HydrophobicContact CG1-CG 4.44Å; I294-P599 HydrophobicContact CG2-CB 4.33Å; I294-P599 HydrophobicContact CG2-CG 4.33Å
295R89.4Confident91.5Very high14 Ų1446.5 Ų46.55%0.05323%0.229CC..SBendtrans-78.265.7171.1-72.9-170.9177.3-104.40.7111.7L202 D203 A204 L205 P207 E212 R240L202-R295 PolarHBondContact O-NH1 3.09Å; L202-R295 PolarHBondContact O-NH2 3.41Å; D203-R295 PolarHBondContact O-NH1 3.37Å; A204-R295 PolarHBondContact O-NH1 2.74Å; A204-R295 VanDerWaalsContact O-NH1 3.12Å; L205-R295 HydrophobicContact CD1-CB 3.69Å; L205-R295 HydrophobicContact CD1-CG 4.34Å; L205-R295 WeakPolarHBondContact CD1-O 3.43Å; P207-R295 HydrophobicContact CG-CB 4.24Å; E212-R295 WeakPolarHBondContact OE1-CD 3.34Å; E212-R295 IonicContact OE1-CZ 3.68Å; E212-R295 IonicContact OE1-NE 2.66Å; E212-R295 PolarHBondContact OE1-NE 3.45Å; E212-R295 IonicContact OE1-NH2 3.85Å; R240-R295 PolarHBondContact O-NH2 3.14Å
296S87.3Confident91.6Very high23 Ų2346 Ų4616%0.16123%0.226CC..  trans-152.3148170.1177.90000109.7I294 K298 I597 L598I294-S296 PolarHBondContact O-N 3.09Å; S296-K298 PolarHBondContact OG-N 3.39Å; S296-I597 WeakPolarHBondContact O-CG2 3.36Å; S296-L598 VanDerWaalsContact CB-O 3.23Å; S296-L598 WeakPolarHBondContact CB-O 3.16Å; S296-L598 PolarHBondContact OG-O 3.43Å
297N84.3Confident91.7Very high133 Ų13343.7 Ų43.771%0.71121%0.21SC*.  trans-104.5-4.8166.562.7-19.1000111.9L205 R299L205-N297 HydrophobicContact CD2-CB 4.3Å; N297-R299 PolarHBondContact O-N 2.86Å
298K86Confident91.6Very high69 Ų6939.7 Ų39.730%0.320%0.198SC..  trans-80.9105.5-178-161.6-179.4-177175.10109.2S296 M300 E325S296-K298 PolarHBondContact OG-N 3.39Å; K298-M300 HydrophobicContact CD-SD 3.72Å; K298-M300 HydrophobicContact CG-SD 3.65Å; K298-E325 IonicContact NZ-OE1 3.68Å; K298-E325 PolarHBondContact NZ-OE1 2.79Å
299R91.9Very high91.3Very high86 Ų8641.1 Ų41.133%0.32521%0.21SC..EExtended strand (participates in β ladder)trans-85.5131.9172-177175.2-75.1-80.6-2.9108.8N297 L546 T595 I597N297-R299 PolarHBondContact O-N 2.86Å; R299-L546 HydrophobicContact CB-CD1 3.91Å; R299-L546 HydrophobicContact CG-CD1 3.58Å; R299-T595 WeakPolarHBondContact CD-OG1 3.29Å; R299-T595 PolarHBondContact NH1-O 3.37Å; R299-T595 PolarHBondContact NH1-OG1 3.26Å; R299-I597 HydrophobicContact CB-CG1 4.38Å
300M93.5Very high90.5Very high15 Ų1539.2 Ų39.27%0.07421%0.206CC..EExtended strand (participates in β ladder)trans-113.4140-172.6-55.5-61.2-72.700109.7K298 Y321 Y322 T595 V596 L598K298-M300 HydrophobicContact CD-SD 3.72Å; K298-M300 HydrophobicContact CG-SD 3.65Å; M300-Y321 HydrophobicContact CE-CD2 3.54Å; M300-Y321 HydrophobicContact CE-CE2 3.91Å; M300-Y322 WeakPolarHBondContact CE-O 3.34Å; M300-T595 VanDerWaalsContact O-CA 3.24Å; M300-T595 WeakPolarHBondContact O-CA 3.38Å; M300-V596 PolarHBondContact N-O 3.1Å; M300-V596 PolarHBondContact O-N 2.84Å; M300-V596 VanDerWaalsContact O-N 3.12Å; M300-L598 HydrophobicContact CB-CD1 4.13Å; M300-L598 HydrophobicContact CB-CG 4.42Å; M300-L598 HydrophobicContact CG-CB 4.41Å; M300-L598 HydrophobicContact CG-CD1 3.89Å; M300-L598 HydrophobicContact CG-CG 4.09Å
301L96.6Very high89.2Confident3 Ų337.4 Ų37.42%0.01621%0.205CC..EExtended strand (participates in β ladder)trans-75.4130.9170.4179.965.7000109.6Y321 Y322 W329 A544 L546 F551 V553 T567L301-Y321 VanDerWaalsContact O-CA 3.27Å; L301-Y321 WeakPolarHBondContact O-CA 3.26Å; L301-Y322 PolarHBondContact O-N 3.35Å; L301-W329 HydrophobicContact CD2-CH2 3.91Å; L301-W329 HydrophobicContact CD2-CZ2 4.02Å; L301-W329 HydrophobicContact CG-CH2 3.95Å; L301-A544 HydrophobicContact CD1-CB 3.65Å; L301-L546 HydrophobicContact CB-CD2 4.19Å; L301-F551 HydrophobicContact CD1-CB 4.11Å; L301-F551 HydrophobicContact CD2-CB 3.94Å; L301-F551 HydrophobicContact CD2-CD1 3.83Å; L301-F551 HydrophobicContact CD2-CG 4.02Å; L301-V553 HydrophobicContact CD2-CG2 3.9Å; L301-T567 HydrophobicContact CD2-CG2 4.24Å
302L97Very high88.1Confident0 Ų042.1 Ų42.10%023%0.225CC..EExtended strand (participates in β ladder)trans-114.7148.6177-62.2-173.7000112.6V319 Q320 L332 L351 C593 S594 V596L302-V319 HydrophobicContact CD1-CG1 4.5Å; L302-Q320 CarbonylContact C-O 3.58Å; L302-Q320 VanDerWaalsContact CA-O 3.25Å; L302-Q320 WeakPolarHBondContact CA-O 3.44Å; L302-Q320 WeakPolarHBondContact CD2-O 3.15Å; L302-L332 HydrophobicContact CD1-CD2 4.47Å; L302-L332 HydrophobicContact CD2-CD2 3.98Å; L302-L351 HydrophobicContact CD1-CD1 3.27Å; L302-L351 HydrophobicContact CD1-CG 4.44Å; L302-C593 VanDerWaalsContact O-CA 3.22Å; L302-C593 WeakPolarHBondContact O-CA 3.34Å; L302-C593 WeakPolarHBondContact O-CB 3.49Å; L302-C593 PolarHBondContact O-SG 3.16Å; L302-S594 PolarHBondContact N-O 3.15Å; L302-S594 PolarHBondContact O-N 3.06Å; L302-V596 HydrophobicContact CD1-CB 4.3Å; L302-V596 HydrophobicContact CD1-CG1 3.9Å; L302-V596 HydrophobicContact CD1-CG2 3.47Å; L302-V596 VanDerWaalsContact CD1-CG2 3.47Å; L302-V596 HydrophobicContact CD2-CG2 4.21Å; L302-V596 HydrophobicContact CG-CG2 3.92Å
303L97.3Very high87.2Confident1 Ų146.3 Ų46.31%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-121.1130.6168.2-175.370.8000108.9V319 Q320 W329 V553 V584 L588 P591 C593L303-V319 CarbonylContact O-C 3.58Å; L303-V319 WeakPolarHBondContact O-CA 3.28Å; L303-Q320 HydrophobicContact CB-CB 4.42Å; L303-Q320 PolarHBondContact N-O 3.43Å; L303-Q320 PolarHBondContact O-N 3.31Å; L303-W329 HydrophobicContact CB-CE3 4.34Å; L303-W329 HydrophobicContact CB-CH2 3.93Å; L303-W329 HydrophobicContact CB-CZ3 3.6Å; L303-V553 HydrophobicContact CD1-CB 3.94Å; L303-V553 HydrophobicContact CD1-CG1 3.72Å; L303-V553 HydrophobicContact CD2-CG1 3.89Å; L303-V553 HydrophobicContact CG-CG1 4.29Å; L303-V584 HydrophobicContact CD2-CB 4.12Å; L303-V584 HydrophobicContact CD2-CG1 3.58Å; L303-V584 HydrophobicContact CD2-CG2 4.47Å; L303-L588 HydrophobicContact CD2-CD1 3.92Å; L303-P591 HydrophobicContact CD1-CB 3.5Å; L303-P591 VanDerWaalsContact CD1-CB 3.5Å; L303-P591 HydrophobicContact CD1-CG 3.59Å; L303-P591 HydrophobicContact CG-CB 4.19Å; L303-C593 VanDerWaalsContact CD1-SG 3.51Å
304V97.3Very high86.8Confident2 Ų244.3 Ų44.31%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-128.5117.3-171.1-175.60000109.6V319 M335 H342 V344 L353 A592V304-V319 HydrophobicContact CG1-CG2 4.18Å; V304-V319 HydrophobicContact CG2-CG1 4.2Å; V304-M335 HydrophobicContact CG1-CE 4.44Å; V304-M335 HydrophobicContact CG1-CG 4.2Å; V304-M335 HydrophobicContact CG1-SD 3.31Å; V304-M335 WeakPolarHBondContact CG1-SD 3.41Å; V304-H342 PolarHBondContact O-CE1 2.86Å; V304-H342 VanDerWaalsContact O-CE1 3.23Å; V304-H342 PolarHBondContact O-NE2 2.99Å; V304-H342 VanDerWaalsContact O-NE2 3.12Å; V304-V344 HydrophobicContact CB-CG2 3.88Å; V304-V344 HydrophobicContact CG1-CG2 3.72Å; V304-V344 HydrophobicContact CG2-CG2 4.08Å; V304-L353 HydrophobicContact CG1-CD1 4.23Å; V304-A592 HydrophobicContact CB-CB 4.42Å; V304-A592 PolarHBondContact N-O 3.08Å; V304-A592 PolarHBondContact O-N 3.48Å
305G95.1Very high86.7Confident1 Ų143.6 Ų43.61%0.0124%0.237CC..EExtended strand (participates in β ladder)trans53.8-144.3178.400000114.2S316 L318 M335 P591G305-S316 VanDerWaalsContact CA-O 3.23Å; G305-S316 WeakPolarHBondContact CA-O 3.3Å; G305-L318 PolarHBondContact N-O 2.88Å; G305-M335 VanDerWaalsContact CA-CE 3.49Å; G305-P591 VanDerWaalsContact O-CB 3.29Å; G305-P591 WeakPolarHBondContact O-CB 3.37Å
306G93.4Very high86.8Confident0 Ų043.4 Ų43.40%024%0.237CC..EExtended strand (participates in β ladder)trans111.2173.1-178.300000113.1P315 S316 S339G306-P315 CarbonylContact O-C 3.57Å; G306-P315 WeakPolarHBondContact O-CA 3.38Å; G306-S316 PolarHBondContact O-N 2.87Å; G306-S339 PolarHBondContact N-O 3.23Å
307L90.9Very high87Confident9 Ų944.7 Ų44.75%0.04724%0.243CC..BIsolated β-bridgetrans-102.5115.1-174.9-164.869.4000110.8R313 P315 A340 Y563 L588 A589L307-R313 HydrophobicContact CD1-CB 4.06Å; L307-R313 WeakPolarHBondContact CD1-O 3.4Å; L307-P315 HydrophobicContact CD1-CG 4.17Å; L307-A340 HydrophobicContact CB-CB 4Å; L307-A340 HydrophobicContact CD1-CB 4.47Å; L307-Y563 WeakPolarHBondContact O-CE1 3.24Å; L307-L588 WeakPolarHBondContact O-CA 3.29Å; L307-A589 WeakPolarHBondContact CB-O 3.4Å; L307-A589 PolarHBondContact N-O 3Å; L307-A589 PolarHBondContact O-N 3.44Å
308P88.7Confident87.4Confident19 Ų1940 Ų4012%0.12322%0.217CC..  trans-78.5163.3176.731.4-34.3000112L314 L588P308-L314 WeakPolarHBondContact CD-O 3.49Å; P308-L314 VanDerWaalsContact CG-O 3.29Å; P308-L314 WeakPolarHBondContact CG-O 3.25Å; P308-L588 HydrophobicContact CB-CD2 3.99Å
309P84.3Confident87.9Confident65 Ų6536.8 Ų36.842%0.42220%0.203SC..SBendtrans-66.5148.9169.530.2-36.9000111Y563 P587P309-Y563 HydrophobicContact CB-CD2 3.8Å; P309-Y563 HydrophobicContact CB-CE2 3.97Å; P309-Y563 HydrophobicContact CB-CG 4.37Å; P309-P587 WeakPolarHBondContact CD-O 3.08Å; P309-P587 HydrophobicContact CG-CG 4.02Å
310G73.4Confident88Confident37 Ų3732.8 Ų32.838%0.38119%0.188SC..SBendtrans143.1173.5170.800000114R313G310-R313 WeakPolarHBondContact O-CG 3.37Å
311P62.9Low88Confident114 Ų11433.3 Ų33.374%0.7419%0.189SC*.SBendtrans-73.8-36.3178.728-32000112.6
312D65.3Low87.9Confident137 Ų13733.7 Ų33.773%0.73319%0.191SC*.SBendtrans-82.6-20.8-175.7-60.1-32.2000113.1L314D312-L314 PolarHBondContact O-N 2.9Å
313R73.2Confident87.5Confident89 Ų8934.3 Ų34.334%0.33619%0.194SC..  trans38.839176.7-60.8-168.7-175.3-174.9-2.5114.4L307 G310 P315 W360L307-R313 HydrophobicContact CD1-CB 4.06Å; L307-R313 WeakPolarHBondContact CD1-O 3.4Å; G310-R313 WeakPolarHBondContact O-CG 3.37Å; R313-P315 WeakPolarHBondContact O-CD 3.28Å; R313-W360 HydrophobicContact CB-CB 3.76Å; R313-W360 HydrophobicContact CB-CD2 4.19Å; R313-W360 HydrophobicContact CB-CG 3.6Å; R313-W360 HydrophobicContact CG-CG 4.32Å; R313-W360 VanDerWaalsContact NH1-CH2 3.28Å; R313-W360 WeakPolarHBondContact O-CB 3.26Å
314L83.6Confident86.9Confident97 Ų9738.2 Ų38.251%0.50822%0.215SC..PPolyproline II helixtrans-67.7124.3175.5-172.168.3000108.1P308 D312 S316P308-L314 WeakPolarHBondContact CD-O 3.49Å; P308-L314 VanDerWaalsContact CG-O 3.29Å; P308-L314 WeakPolarHBondContact CG-O 3.25Å; D312-L314 PolarHBondContact O-N 2.9Å; L314-S316 PolarHBondContact O-N 3.46Å
315P90.3Very high86.3Confident2 Ų245 Ų451%0.01325%0.247CC..PPolyproline II helixtrans-58.5140.5176.7-2535.2000111.5G306 L307 R313 N338 S339 A340 E357G306-P315 CarbonylContact O-C 3.57Å; G306-P315 WeakPolarHBondContact O-CA 3.38Å; L307-P315 HydrophobicContact CD1-CG 4.17Å; R313-P315 WeakPolarHBondContact O-CD 3.28Å; P315-N338 HydrophobicContact CB-CB 4.21Å; P315-N338 WeakPolarHBondContact O-CB 3.19Å; P315-N338 VanDerWaalsContact O-CG 3.31Å; P315-N338 PolarHBondContact O-OD1 3.4Å; P315-S339 VanDerWaalsContact CB-C 3.45Å; P315-A340 HydrophobicContact CB-CB 3.98Å; P315-A340 HydrophobicContact CG-CB 4.28Å; P315-E357 WeakPolarHBondContact CG-O 3.44Å
316S90.9Very high85.6Confident10 Ų1049.3 Ų49.37%0.0727%0.265CS..EExtended strand (participates in β ladder)trans-66.4142.5175.5-171.90000110.2G305 G306 L314 L318 M335 S339 E586G305-S316 VanDerWaalsContact CA-O 3.23Å; G305-S316 WeakPolarHBondContact CA-O 3.3Å; G306-S316 PolarHBondContact O-N 2.87Å; L314-S316 PolarHBondContact O-N 3.46Å; S316-L318 PolarHBondContact OG-N 3.02Å; S316-M335 VanDerWaalsContact O-CE 3.22Å; S316-M335 WeakPolarHBondContact O-CE 3.17Å; S316-S339 PolarHBondContact O-N 2.77Å; S316-E586 VanDerWaalsContact CB-OE1 3.22Å; S316-E586 WeakPolarHBondContact CB-OE1 2.99Å; S316-E586 PolarHBondContact OG-OE1 3.26Å
317N92.1Very high85.2Confident50 Ų5052.8 Ų52.827%0.26728%0.28SS..EExtended strand (participates in β ladder)trans-105.19.6168.159.34.4000112.2I334 M335 N338N317-I334 HydrophobicContact CB-CG2 3.99Å; N317-I334 VanDerWaalsContact CG-CG2 3.42Å; N317-I334 VanDerWaalsContact ND2-CG2 3.33Å; N317-I334 WeakPolarHBondContact ND2-CG2 3.4Å; N317-I334 CarbonylContact O-C 3.47Å; N317-I334 WeakPolarHBondContact O-CA 3.27Å; N317-M335 HydrophobicContact CB-CB 4.13Å; N317-M335 HydrophobicContact CB-CE 4.45Å; N317-M335 WeakPolarHBondContact O-CB 3.16Å; N317-M335 WeakPolarHBondContact O-CG 3.42Å; N317-M335 PolarHBondContact O-N 3.16Å; N317-N338 VanDerWaalsContact CB-OD1 3.27Å; N317-N338 WeakPolarHBondContact CB-OD1 2.93Å; N317-N338 PolarHBondContact ND2-OD1 2.99Å
318L92.8Very high85Confident35 Ų3555 Ų5518%0.18329%0.294CS..EExtended strand (participates in β ladder)trans-76.9138.6-177.5-59.9-178.6000111.2G305 S316 Q320 I331 I334G305-L318 PolarHBondContact N-O 2.88Å; S316-L318 PolarHBondContact OG-N 3.02Å; L318-Q320 HydrophobicContact CB-CG 4.31Å; L318-I331 HydrophobicContact CD1-CD1 4.37Å; L318-I331 HydrophobicContact CD2-CD1 4.45Å; L318-I334 HydrophobicContact CD2-CG1 4.4Å
319V95.1Very high85.1Confident0 Ų055.2 Ų55.20%029%0.293CS..EExtended strand (participates in β ladder)trans-108.4120.8162.4-178.70000107.6L302 L303 V304 L332 T333 M335 W382L302-V319 HydrophobicContact CD1-CG1 4.5Å; L303-V319 CarbonylContact O-C 3.58Å; L303-V319 WeakPolarHBondContact O-CA 3.28Å; V304-V319 HydrophobicContact CG1-CG2 4.18Å; V304-V319 HydrophobicContact CG2-CG1 4.2Å; V319-L332 HydrophobicContact CG1-CB 4.2Å; V319-L332 HydrophobicContact CG1-CD2 4.11Å; V319-L332 WeakPolarHBondContact O-CB 3.33Å; V319-L332 PolarHBondContact O-N 2.85Å; V319-T333 HydrophobicContact CB-CG2 3.63Å; V319-T333 HydrophobicContact CG1-CG2 4.15Å; V319-T333 HydrophobicContact CG2-CG2 3.76Å; V319-T333 PolarHBondContact N-O 3.26Å; V319-T333 PolarHBondContact O-N 2.84Å; V319-M335 HydrophobicContact CG2-CG 3.7Å; V319-W382 HydrophobicContact CG2-CZ2 3.96Å
320Q94.1Very high85.3Confident2 Ų254.8 Ų54.81%0.00928%0.284CS..EExtended strand (participates in β ladder)trans-118.5151-177.5-59.2174.981.900110.1L302 L303 L318 W329 K330 I331L302-Q320 CarbonylContact C-O 3.58Å; L302-Q320 VanDerWaalsContact CA-O 3.25Å; L302-Q320 WeakPolarHBondContact CA-O 3.44Å; L302-Q320 WeakPolarHBondContact CD2-O 3.15Å; L303-Q320 HydrophobicContact CB-CB 4.42Å; L303-Q320 PolarHBondContact N-O 3.43Å; L303-Q320 PolarHBondContact O-N 3.31Å; L318-Q320 HydrophobicContact CB-CG 4.31Å; Q320-W329 HydrophobicContact CB-CE3 3.84Å; Q320-W329 HydrophobicContact CB-CZ3 4.35Å; Q320-K330 CarbonylContact C-O 3.51Å; Q320-K330 WeakPolarHBondContact CA-O 3.4Å; Q320-I331 HydrophobicContact CG-CG1 4.4Å
321Y94.4Very high86Confident26 Ų2657.6 Ų57.610%0.10229%0.29CS..EExtended strand (participates in β ladder)trans-124.7149.5172.474.6-87.1000111.2M300 L301 D323 W329 K330 L332 L598 L602M300-Y321 HydrophobicContact CE-CD2 3.54Å; M300-Y321 HydrophobicContact CE-CE2 3.91Å; L301-Y321 VanDerWaalsContact O-CA 3.27Å; L301-Y321 WeakPolarHBondContact O-CA 3.26Å; Y321-D323 HydrophobicContact CE2-CB 4.03Å; Y321-W329 WeakPolarHBondContact O-CA 3.17Å; Y321-K330 HydrophobicContact CD1-CB 4.01Å; Y321-K330 WeakPolarHBondContact CD1-O 3.41Å; Y321-K330 HydrophobicContact CE1-CB 3.53Å; Y321-K330 HydrophobicContact CE1-CD 4.28Å; Y321-K330 HydrophobicContact CE2-CB 4.29Å; Y321-K330 HydrophobicContact CE2-CD 4.09Å; Y321-K330 PolarHBondContact N-O 3.13Å; Y321-K330 PolarHBondContact O-N 2.92Å; Y321-K330 WeakPolarHBondContact OH-CD 3.3Å; Y321-L332 HydrophobicContact CD1-CB 3.92Å; Y321-L332 HydrophobicContact CD1-CD1 4.29Å; Y321-L598 HydrophobicContact CD1-CD1 4.36Å; Y321-L598 HydrophobicContact CD2-CD1 4.33Å; Y321-L598 HydrophobicContact CG-CD1 4.07Å; Y321-L602 HydrophobicContact CD1-CD1 4.43Å; Y321-L602 HydrophobicContact CE1-CD1 3.51Å; Y321-L602 WeakPolarHBondContact OH-CD1 3.29Å
322Y94.1Very high87.3Confident12 Ų1252.6 Ų52.65%0.04726%0.257CS..EExtended strand (participates in β ladder)trans-88.7116.7175-174.1-107.3000111.1M300 L301 D324 K327 W329 L580 E581M300-Y322 WeakPolarHBondContact CE-O 3.34Å; L301-Y322 PolarHBondContact O-N 3.35Å; Y322-D324 HydrophobicContact CD1-CB 4.34Å; Y322-D324 HydrophobicContact CE1-CB 4.12Å; Y322-D324 PolarHBondContact O-N 3Å; Y322-K327 WeakPolarHBondContact OH-CD 3.49Å; Y322-W329 AromaticContact CD2-CD1 3.77Å; Y322-W329 HydrophobicContact CD2-CD2 4.14Å; Y322-W329 AromaticContact CD2-CE2 3.77Å; Y322-W329 HydrophobicContact CD2-CG 4.17Å; Y322-W329 HydrophobicContact CD2-CZ2 4.35Å; Y322-W329 AromaticContact CD2-NE1 3.49Å; Y322-W329 HydrophobicContact CG-CZ2 4.5Å; Y322-L580 HydrophobicContact CD1-CD2 4.07Å; Y322-L580 HydrophobicContact CE1-CD2 3.61Å; Y322-L580 HydrophobicContact CE2-CD2 4.49Å; Y322-E581 WeakPolarHBondContact CE2-O 3.32Å; Y322-E581 VanDerWaalsContact CZ-O 3.32Å; Y322-E581 PolarHBondContact OH-O 2.98Å
323D88.5Confident88.6Confident12 Ų1246.4 Ų46.46%0.06422%0.224CC..EExtended strand (participates in β ladder)trans-87.4100.1172.6-173.1-13.6000110.1Y321 E325 K326 K327 T328 K330Y321-D323 HydrophobicContact CE2-CB 4.03Å; D323-E325 PolarHBondContact O-N 3.04Å; D323-E325 WeakPolarHBondContact OD1-CB 3.48Å; D323-E325 PolarHBondContact OD1-N 3.06Å; D323-K326 HydrophobicContact CB-CB 4.37Å; D323-K326 CarbonylContact O-C 3.36Å; D323-K326 PolarHBondContact O-N 3.23Å; D323-K326 PolarHBondContact OD1-N 3.2Å; D323-K326 WeakPolarHBondContact OD2-CG 3.43Å; D323-K327 WeakPolarHBondContact O-CA 3.42Å; D323-K327 PolarHBondContact O-N 3.48Å; D323-T328 PolarHBondContact N-O 3.25Å; D323-T328 PolarHBondContact O-N 3.49Å; D323-K330 HydrophobicContact CB-CD 4.24Å; D323-K330 WeakPolarHBondContact OD2-CE 3.22Å; D323-K330 IonicContact OD2-NZ 2.67Å; D323-K330 PolarHBondContact OD2-NZ 2.98Å
324D85.5Confident89.5Confident84 Ų8446.2 Ų46.245%0.44923%0.228SC..THydrogen-bonded Turntrans-65.4-23.8-179-170.363.4000113.8Y322 K327Y322-D324 HydrophobicContact CD1-CB 4.34Å; Y322-D324 HydrophobicContact CE1-CB 4.12Å; Y322-D324 PolarHBondContact O-N 3Å; D324-K327 VanDerWaalsContact O-CD 3.23Å; D324-K327 WeakPolarHBondContact O-CD 3.25Å; D324-K327 WeakPolarHBondContact O-CE 3.44Å; D324-K327 PolarHBondContact O-NZ 3.34Å; D324-K327 IonicContact OD1-NZ 3.74Å; D324-K327 PolarHBondContact OD1-NZ 3.14Å; D324-K327 IonicContact OD2-NZ 2.77Å; D324-K327 PolarHBondContact OD2-NZ 3.29Å; D324-K327 VanDerWaalsContact OD2-NZ 3.17Å
325E83.9Confident90Very high144 Ų14442 Ų4267%0.67321%0.206SC*.THydrogen-bonded Turntrans-75.3-39.2177.2-72.8168.8-145.700111K298 D323K298-E325 IonicContact NZ-OE1 3.68Å; K298-E325 PolarHBondContact NZ-OE1 2.79Å; D323-E325 PolarHBondContact O-N 3.04Å; D323-E325 WeakPolarHBondContact OD1-CB 3.48Å; D323-E325 PolarHBondContact OD1-N 3.06Å
326K80.5Confident90.2Very high92 Ų9244.9 Ų44.940%0.423%0.225SC..THydrogen-bonded Turntrans-95.4-1.3-179.5-58.7-164.2-169.3-168.50113.5D323 T328D323-K326 HydrophobicContact CB-CB 4.37Å; D323-K326 CarbonylContact O-C 3.36Å; D323-K326 PolarHBondContact O-N 3.23Å; D323-K326 PolarHBondContact OD1-N 3.2Å; D323-K326 WeakPolarHBondContact OD2-CG 3.43Å; K326-T328 WeakPolarHBondContact CB-OG1 3.4Å; K326-T328 WeakPolarHBondContact O-CG2 3.4Å; K326-T328 PolarHBondContact O-N 3.11Å; K326-T328 PolarHBondContact O-OG1 3.26Å
327K85Confident90.1Very high72 Ų7245.7 Ų45.731%0.31323%0.227SC..THydrogen-bonded Turntrans46.845.5-175.2-56.6-58.8-177.3-151.40112.7Y322 D323 D324 E581 G582Y322-K327 WeakPolarHBondContact OH-CD 3.49Å; D323-K327 WeakPolarHBondContact O-CA 3.42Å; D323-K327 PolarHBondContact O-N 3.48Å; D324-K327 VanDerWaalsContact O-CD 3.23Å; D324-K327 WeakPolarHBondContact O-CD 3.25Å; D324-K327 WeakPolarHBondContact O-CE 3.44Å; D324-K327 PolarHBondContact O-NZ 3.34Å; D324-K327 IonicContact OD1-NZ 3.74Å; D324-K327 PolarHBondContact OD1-NZ 3.14Å; D324-K327 IonicContact OD2-NZ 2.77Å; D324-K327 PolarHBondContact OD2-NZ 3.29Å; D324-K327 VanDerWaalsContact OD2-NZ 3.17Å; K327-E581 HydrophobicContact CB-CB 3.86Å; K327-E581 HydrophobicContact CG-CB 4.27Å; K327-G582 VanDerWaalsContact O-CA 3.32Å; K327-G582 WeakPolarHBondContact O-CA 3.34Å
328T86.4Confident90.1Very high57 Ų5745.4 Ų45.435%0.3523%0.225SC..EExtended strand (participates in β ladder)trans-142.1148.3-174.843.50000112.3D323 K326D323-T328 PolarHBondContact N-O 3.25Å; D323-T328 PolarHBondContact O-N 3.49Å; K326-T328 WeakPolarHBondContact CB-OG1 3.4Å; K326-T328 WeakPolarHBondContact O-CG2 3.4Å; K326-T328 PolarHBondContact O-N 3.11Å; K326-T328 PolarHBondContact O-OG1 3.26Å
329W90.3Very high90.2Very high23 Ų2343.7 Ų43.79%0.08722%0.216CC..EExtended strand (participates in β ladder)trans-83138.7167.9-74.989.8000110.9L301 L303 Q320 Y321 Y322 V553 T567 V584L301-W329 HydrophobicContact CD2-CH2 3.91Å; L301-W329 HydrophobicContact CD2-CZ2 4.02Å; L301-W329 HydrophobicContact CG-CH2 3.95Å; L303-W329 HydrophobicContact CB-CE3 4.34Å; L303-W329 HydrophobicContact CB-CH2 3.93Å; L303-W329 HydrophobicContact CB-CZ3 3.6Å; Q320-W329 HydrophobicContact CB-CE3 3.84Å; Q320-W329 HydrophobicContact CB-CZ3 4.35Å; Y321-W329 WeakPolarHBondContact O-CA 3.17Å; Y322-W329 AromaticContact CD2-CD1 3.77Å; Y322-W329 HydrophobicContact CD2-CD2 4.14Å; Y322-W329 AromaticContact CD2-CE2 3.77Å; Y322-W329 HydrophobicContact CD2-CG 4.17Å; Y322-W329 HydrophobicContact CD2-CZ2 4.35Å; Y322-W329 AromaticContact CD2-NE1 3.49Å; Y322-W329 HydrophobicContact CG-CZ2 4.5Å; W329-V553 HydrophobicContact CH2-CG1 4.03Å; W329-V553 HydrophobicContact CH2-CG2 3.98Å; W329-V553 HydrophobicContact CZ2-CB 4.43Å; W329-V553 HydrophobicContact CZ2-CG1 3.68Å; W329-V553 HydrophobicContact CZ2-CG2 3.81Å; W329-T567 WeakPolarHBondContact CZ2-OG1 3.32Å; W329-T567 PolarHBondContact NE1-OG1 2.99Å; W329-V584 HydrophobicContact CD2-CG1 3.59Å; W329-V584 HydrophobicContact CE3-CG1 4.25Å; W329-V584 HydrophobicContact CG-CB 4.39Å; W329-V584 HydrophobicContact CG-CG1 3.7Å; W329-V584 HydrophobicContact CZ2-CG1 4.09Å
330K88.2Confident90.1Very high56 Ų5643.7 Ų43.724%0.24322%0.216CC..EExtended strand (participates in β ladder)trans-131.5144.3179.8-70.4176.1178.4171.80110.8Q320 Y321 D323 L332Q320-K330 CarbonylContact C-O 3.51Å; Q320-K330 WeakPolarHBondContact CA-O 3.4Å; Y321-K330 HydrophobicContact CD1-CB 4.01Å; Y321-K330 WeakPolarHBondContact CD1-O 3.41Å; Y321-K330 HydrophobicContact CE1-CB 3.53Å; Y321-K330 HydrophobicContact CE1-CD 4.28Å; Y321-K330 HydrophobicContact CE2-CB 4.29Å; Y321-K330 HydrophobicContact CE2-CD 4.09Å; Y321-K330 PolarHBondContact N-O 3.13Å; Y321-K330 PolarHBondContact O-N 2.92Å; Y321-K330 WeakPolarHBondContact OH-CD 3.3Å; D323-K330 HydrophobicContact CB-CD 4.24Å; D323-K330 WeakPolarHBondContact OD2-CE 3.22Å; D323-K330 IonicContact OD2-NZ 2.67Å; D323-K330 PolarHBondContact OD2-NZ 2.98Å; K330-L332 PolarHBondContact O-N 2.61Å
331I89.4Confident90.1Very high96 Ų9645.2 Ų45.249%0.49222%0.223SC..EExtended strand (participates in β ladder)trans-70123.5173.2-59.3172.2000108.4L318 Q320L318-I331 HydrophobicContact CD1-CD1 4.37Å; L318-I331 HydrophobicContact CD2-CD1 4.45Å; Q320-I331 HydrophobicContact CG-CG1 4.4Å
332L90.5Very high90.3Very high9 Ų944.4 Ų44.45%0.04722%0.22CC..EExtended strand (participates in β ladder)trans-87.7-55173.2-178.957.7000110.6L302 V319 Y321 K330 Y375 L598 L602L302-L332 HydrophobicContact CD1-CD2 4.47Å; L302-L332 HydrophobicContact CD2-CD2 3.98Å; V319-L332 HydrophobicContact CG1-CB 4.2Å; V319-L332 HydrophobicContact CG1-CD2 4.11Å; V319-L332 WeakPolarHBondContact O-CB 3.33Å; V319-L332 PolarHBondContact O-N 2.85Å; Y321-L332 HydrophobicContact CD1-CB 3.92Å; Y321-L332 HydrophobicContact CD1-CD1 4.29Å; K330-L332 PolarHBondContact O-N 2.61Å; L332-Y375 HydrophobicContact CD2-CE1 3.93Å; L332-L598 HydrophobicContact CD1-CD1 4.07Å; L332-L598 HydrophobicContact CD1-CD2 4.09Å; L332-L598 HydrophobicContact CD2-CD1 4.35Å; L332-L598 HydrophobicContact CD2-CD2 3.85Å; L332-L602 HydrophobicContact CD1-CD1 3.99Å; L332-L602 HydrophobicContact CD1-CD2 3.61Å; L332-L602 HydrophobicContact CD1-CG 4.42Å
333T92.6Very high90.5Very high7 Ų744.7 Ų44.74%0.04322%0.224CC..EExtended strand (participates in β ladder)trans-160.2178.8-172.5-163.20000110.6V319 Y375 N380 W382V319-T333 HydrophobicContact CB-CG2 3.63Å; V319-T333 HydrophobicContact CG1-CG2 4.15Å; V319-T333 HydrophobicContact CG2-CG2 3.76Å; V319-T333 PolarHBondContact N-O 3.26Å; V319-T333 PolarHBondContact O-N 2.84Å; T333-Y375 HydrophobicContact CG2-CD2 4.14Å; T333-Y375 HydrophobicContact CG2-CE2 3.62Å; T333-N380 WeakPolarHBondContact CB-OD1 3.29Å; T333-N380 PolarHBondContact OG1-OD1 3.13Å; T333-N380 VanDerWaalsContact OG1-OD1 3.07Å; T333-W382 HydrophobicContact CG2-CZ2 4.08Å
334I92.3Very high90.9Very high85 Ų8545 Ų4544%0.43623%0.226SC..EExtended strand (participates in β ladder)trans-117.9133.8176.7-55.1177.8000108N317 L318 W382N317-I334 HydrophobicContact CB-CG2 3.99Å; N317-I334 VanDerWaalsContact CG-CG2 3.42Å; N317-I334 VanDerWaalsContact ND2-CG2 3.33Å; N317-I334 WeakPolarHBondContact ND2-CG2 3.4Å; N317-I334 CarbonylContact O-C 3.47Å; N317-I334 WeakPolarHBondContact O-CA 3.27Å; L318-I334 HydrophobicContact CD2-CG1 4.4Å; I334-W382 PolarHBondContact O-NE1 3.34Å
335M94.3Very high91.5Very high7 Ų741.5 Ų41.53%0.03421%0.208CC..  trans-65.9153.6175.5-63.9-164.3-6700111V304 G305 S316 N317 V319 Y337 L353 W382V304-M335 HydrophobicContact CG1-CE 4.44Å; V304-M335 HydrophobicContact CG1-CG 4.2Å; V304-M335 HydrophobicContact CG1-SD 3.31Å; V304-M335 WeakPolarHBondContact CG1-SD 3.41Å; G305-M335 VanDerWaalsContact CA-CE 3.49Å; S316-M335 VanDerWaalsContact O-CE 3.22Å; S316-M335 WeakPolarHBondContact O-CE 3.17Å; N317-M335 HydrophobicContact CB-CB 4.13Å; N317-M335 HydrophobicContact CB-CE 4.45Å; N317-M335 WeakPolarHBondContact O-CB 3.16Å; N317-M335 WeakPolarHBondContact O-CG 3.42Å; N317-M335 PolarHBondContact O-N 3.16Å; V319-M335 HydrophobicContact CG2-CG 3.7Å; M335-Y337 WeakPolarHBondContact CB-O 3.43Å; M335-Y337 PolarHBondContact O-N 3.07Å; M335-Y337 VanDerWaalsContact O-N 3.14Å; M335-L353 HydrophobicContact CB-CD2 4.25Å; M335-L353 HydrophobicContact CG-CD2 4.16Å; M335-L353 HydrophobicContact SD-CD1 3.77Å; M335-L353 HydrophobicContact SD-CD2 3.47Å; M335-L353 WeakPolarHBondContact SD-CD2 3.4Å; M335-L353 HydrophobicContact SD-CG 4.26Å; M335-W382 HydrophobicContact CG-CH2 4.24Å; M335-W382 HydrophobicContact CG-CZ2 4.13Å
336P93.1Very high92.1Very high64 Ų6437.1 Ų37.142%0.41619%0.187SC..SBendtrans-63.9-18.8177.1-21.934.3000114W382P336-W382 HydrophobicContact CG-CB 3.72Å; P336-W382 HydrophobicContact CG-CD2 3.81Å; P336-W382 HydrophobicContact CG-CE3 3.99Å; P336-W382 HydrophobicContact CG-CG 3.7Å
337Y89.8Confident92.8Very high27 Ų2732.8 Ų32.811%0.10617%0.168CC..SBendtrans-150.6156.1177.848.2-90.8000110.4M335 L353 F371 S373M335-Y337 WeakPolarHBondContact CB-O 3.43Å; M335-Y337 PolarHBondContact O-N 3.07Å; M335-Y337 VanDerWaalsContact O-N 3.14Å; Y337-L353 HydrophobicContact CE1-CD2 4.19Å; Y337-L353 HydrophobicContact CE2-CD2 3.79Å; Y337-L353 HydrophobicContact CE2-CG 4.3Å; Y337-F371 HydrophobicContact CD1-CB 4.46Å; Y337-F371 HydrophobicContact CD1-CD2 4.14Å; Y337-F371 HydrophobicContact CD2-CD2 4.39Å; Y337-F371 HydrophobicContact CE1-CB 3.69Å; Y337-F371 HydrophobicContact CE1-CD2 4.18Å; Y337-F371 HydrophobicContact CE1-CG 4.34Å; Y337-F371 HydrophobicContact CE2-CB 4.3Å; Y337-F371 HydrophobicContact CE2-CD2 4.41Å; Y337-F371 HydrophobicContact CG-CD2 4.27Å; Y337-F371 WeakPolarHBondContact OH-CB 3.24Å; Y337-F371 PolarHBondContact OH-O 3.06Å; Y337-S373 WeakPolarHBondContact CE1-OG 3.26Å
338N91.3Very high93.2Very high43 Ų4332.3 Ų32.323%0.2317%0.167CC..  trans-65.5135.2170.8-63.8-28.8000109.3P315 N317 D358P315-N338 HydrophobicContact CB-CB 4.21Å; P315-N338 WeakPolarHBondContact O-CB 3.19Å; P315-N338 VanDerWaalsContact O-CG 3.31Å; P315-N338 PolarHBondContact O-OD1 3.4Å; N317-N338 VanDerWaalsContact CB-OD1 3.27Å; N317-N338 WeakPolarHBondContact CB-OD1 2.93Å; N317-N338 PolarHBondContact ND2-OD1 2.99Å; N338-D358 VanDerWaalsContact O-CA 3.29Å; N338-D358 WeakPolarHBondContact O-CA 3.41Å; N338-D358 VanDerWaalsContact O-CB 3.27Å; N338-D358 WeakPolarHBondContact O-CB 3.41Å
339S94.2Very high93.6Very high0 Ų030.7 Ų30.70%016%0.156CC..  trans-155.7140.5175.1-169.30000113.7G306 P315 S316 H342 G355 E357G306-S339 PolarHBondContact N-O 3.23Å; P315-S339 VanDerWaalsContact CB-C 3.45Å; S316-S339 PolarHBondContact O-N 2.77Å; S339-H342 WeakPolarHBondContact CB-ND1 3.31Å; S339-H342 PolarHBondContact O-CE1 3.34Å; S339-H342 PolarHBondContact O-ND1 2.79Å; S339-H342 WeakPolarHBondContact OG-CB 3.38Å; S339-H342 PolarHBondContact OG-ND1 2.93Å; S339-H342 VanDerWaalsContact OG-ND1 3.14Å; S339-G355 PolarHBondContact OG-O 2.81Å; S339-G355 VanDerWaalsContact OG-O 3.05Å; S339-E357 CarbonylContact C-O 3.6Å; S339-E357 VanDerWaalsContact CA-O 3.3Å; S339-E357 WeakPolarHBondContact CA-O 3.37Å
340A93.8Very high93.9Very high0 Ų029.7 Ų29.70%015%0.153CC..BIsolated β-bridgetrans-127.7159.6166.500000110.2L307 P315 H342 G356 E357L307-A340 HydrophobicContact CB-CB 4Å; L307-A340 HydrophobicContact CD1-CB 4.47Å; P315-A340 HydrophobicContact CB-CB 3.98Å; P315-A340 HydrophobicContact CG-CB 4.28Å; A340-H342 PolarHBondContact O-N 2.86Å; A340-G356 WeakPolarHBondContact O-CA 3.25Å; A340-E357 HydrophobicContact CB-CG 4.28Å; A340-E357 PolarHBondContact N-O 2.96Å; A340-E357 PolarHBondContact O-N 2.99Å
341H95.1Very high94.3Very high33 Ų3327.2 Ų27.215%0.15314%0.142CC..SBendtrans52.926.8-178.9-53.6-70.1000114.2E357 S394 G590H341-E357 IonicContact CD2-OE1 3.32Å; H341-E357 PolarHBondContact CD2-OE1 3.36Å; H341-E357 VanDerWaalsContact CD2-OE1 3.22Å; H341-E357 IonicContact NE2-OE1 3.57Å; H341-S394 PolarHBondContact O-N 2.86Å; H341-G590 PolarHBondContact N-O 2.89Å
342H97.3Very high94.7Very high10 Ų1022.7 Ų22.75%0.04612%0.119CC..  trans-83.5175168.356.4-91.4000110V304 S339 A340 L353 L354 G355V304-H342 PolarHBondContact O-CE1 2.86Å; V304-H342 VanDerWaalsContact O-CE1 3.23Å; V304-H342 PolarHBondContact O-NE2 2.99Å; V304-H342 VanDerWaalsContact O-NE2 3.12Å; S339-H342 WeakPolarHBondContact CB-ND1 3.31Å; S339-H342 PolarHBondContact O-CE1 3.34Å; S339-H342 PolarHBondContact O-ND1 2.79Å; S339-H342 WeakPolarHBondContact OG-CB 3.38Å; S339-H342 PolarHBondContact OG-ND1 2.93Å; S339-H342 VanDerWaalsContact OG-ND1 3.14Å; A340-H342 PolarHBondContact O-N 2.86Å; H342-L353 HydrophobicContact CB-CD1 4.26Å; H342-L353 WeakPolarHBondContact CD2-CD1 3.37Å; H342-L354 VanDerWaalsContact CB-O 3.23Å; H342-L354 WeakPolarHBondContact CB-O 3.29Å; H342-G355 VanDerWaalsContact CB-O 3.31Å; H342-G355 WeakPolarHBondContact CB-O 3.28Å
343C98.1Very high95.1Very high17 Ų1722.3 Ų22.312%0.11512%0.117CC..EExtended strand (participates in β ladder)trans-114.8148.8167.6-67.90000110.6L354 F395 A397C343-L354 PolarHBondContact N-O 2.88Å; C343-L354 VanDerWaalsContact N-O 3.13Å; C343-L354 PolarHBondContact O-N 3.1Å; C343-F395 HydrophobicContact CB-CE2 3.96Å; C343-F395 HydrophobicContact CB-CZ 4.24Å; C343-F395 PolarHBondContact SG-O 2.85Å; C343-A397 HydrophobicContact CB-CB 3.65Å
344V97.9Very high95.3Very high20 Ų2022 Ų2212%0.12112%0.115CC..EExtended strand (participates in β ladder)trans-119.5130.9167.9175.20000108.1V304 L351 L352 L353 A592V304-V344 HydrophobicContact CB-CG2 3.88Å; V304-V344 HydrophobicContact CG1-CG2 3.72Å; V304-V344 HydrophobicContact CG2-CG2 4.08Å; V344-L351 HydrophobicContact CG1-CB 4.03Å; V344-L351 HydrophobicContact CG1-CD2 3.91Å; V344-L351 HydrophobicContact CG1-CG 4.41Å; V344-L352 CarbonylContact C-O 3.54Å; V344-L352 VanDerWaalsContact CA-O 3.28Å; V344-L352 WeakPolarHBondContact CA-O 3.11Å; V344-L353 HydrophobicContact CG2-CD1 3.96Å; V344-A592 HydrophobicContact CB-CB 3.91Å; V344-A592 HydrophobicContact CG2-CB 3.58Å
345V97.8Very high95.6Very high10 Ų1018 Ų186%0.0619%0.094CC..EExtended strand (participates in β ladder)trans-122.9129.2177-177.20000109.3V347 L352 L354 A397 R399 L404V345-V347 HydrophobicContact CG1-CG2 4.37Å; V345-L352 PolarHBondContact N-O 3.42Å; V345-L352 PolarHBondContact O-N 2.84Å; V345-L354 HydrophobicContact CG2-CD1 3.91Å; V345-A397 HydrophobicContact CG2-CB 3.92Å; V345-R399 HydrophobicContact CG1-CB 3.66Å; V345-L404 HydrophobicContact CB-CD2 4.4Å; V345-L404 HydrophobicContact CG1-CD2 3.8Å
346E96.6Very high95.6Very high52 Ų5217.6 Ų17.624%0.2439%0.093CC..EExtended strand (participates in β ladder)trans-80.6134.9172.1-171.2-89.2-178.600110.6N349 F350 L351E346-N349 VanDerWaalsContact OE1-CA 3.26Å; E346-N349 WeakPolarHBondContact OE1-CA 3.32Å; E346-N349 PolarHBondContact OE1-N 3.46Å; E346-F350 CarbonylContact C-O 3.55Å; E346-F350 WeakPolarHBondContact CA-O 3.46Å; E346-L351 HydrophobicContact CB-CD2 4.18Å; E346-L351 HydrophobicContact CG-CD2 4.39Å
347V95.6Very high95.5Very high0 Ų014.6 Ų14.60%07%0.073CC..EExtended strand (participates in β ladder)trans-138.2102.8176-175.10000108.1H285 V345 N349 F350 L352 L404 L424H285-V347 HydrophobicContact CB-CG1 4.02Å; V345-V347 HydrophobicContact CG1-CG2 4.37Å; V347-N349 VanDerWaalsContact C-N 3.31Å; V347-N349 PolarHBondContact O-N 2.9Å; V347-F350 PolarHBondContact N-O 3.13Å; V347-F350 WeakPolarHBondContact O-CB 3.36Å; V347-F350 WeakPolarHBondContact O-CD2 3.35Å; V347-F350 PolarHBondContact O-N 2.75Å; V347-L352 HydrophobicContact CB-CD1 3.89Å; V347-L352 HydrophobicContact CG2-CD1 3.65Å; V347-L404 HydrophobicContact CG2-CD2 3.84Å; V347-L424 HydrophobicContact CG1-CD1 3.77Å; V347-L424 HydrophobicContact CG1-CD2 4.28Å; V347-L424 HydrophobicContact CG2-CD1 4.41Å; V347-L424 HydrophobicContact CG2-CD2 4.42Å
348E93.4Very high95.4Very high62 Ų6214.5 Ų14.529%0.297%0.074SC..THydrogen-bonded Turntrans52.447.8175.3-58.6-58.5136.400113H285 Q288 F350 R399H285-E348 HydrophobicContact CB-CB 4.12Å; H285-E348 WeakPolarHBondContact O-CG 3.11Å; Q288-E348 HydrophobicContact CG-CB 3.75Å; Q288-E348 HydrophobicContact CG-CG 4.38Å; E348-F350 VanDerWaalsContact O-CD2 3.3Å; E348-F350 WeakPolarHBondContact O-CD2 3.41Å; E348-F350 PolarHBondContact O-N 3.3Å; E348-R399 IonicContact OE1-CZ 3.12Å; E348-R399 VanDerWaalsContact OE1-CZ 3.3Å; E348-R399 IonicContact OE1-NH1 2.77Å; E348-R399 PolarHBondContact OE1-NH1 2.88Å; E348-R399 IonicContact OE1-NH2 3.8Å; E348-R399 PolarHBondContact OE1-NH2 2.85Å
349N94.7Very high94.8Very high23 Ų2317.5 Ų17.512%0.1239%0.087CC..THydrogen-bonded Turntrans68.39.6-176.3-155.858.7000116.1E346 V347 P377 I597E346-N349 VanDerWaalsContact OE1-CA 3.26Å; E346-N349 WeakPolarHBondContact OE1-CA 3.32Å; E346-N349 PolarHBondContact OE1-N 3.46Å; V347-N349 VanDerWaalsContact C-N 3.31Å; V347-N349 PolarHBondContact O-N 2.9Å; N349-P377 VanDerWaalsContact O-CD 3.26Å; N349-P377 WeakPolarHBondContact O-CD 3.41Å; N349-P377 WeakPolarHBondContact O-CG 3.37Å; N349-I597 PolarHBondContact ND2-O 3.23Å; N349-I597 WeakPolarHBondContact OD1-CB 3.47Å; N349-I597 PolarHBondContact OD1-N 3.12Å
350F95.8Very high93.4Very high3 Ų320.7 Ų20.71%0.01310%0.099CC..EExtended strand (participates in β ladder)trans-96.6152.8165.2-59.1-86.1000109.8Q284 H285 E346 V347 E348 L352 R374 D376Q284-F350 HydrophobicContact CB-CE2 4.45Å; Q284-F350 HydrophobicContact CB-CZ 3.99Å; H285-F350 HydrophobicContact CB-CD2 3.57Å; H285-F350 HydrophobicContact CB-CE2 3.86Å; E346-F350 CarbonylContact C-O 3.55Å; E346-F350 WeakPolarHBondContact CA-O 3.46Å; V347-F350 PolarHBondContact N-O 3.13Å; V347-F350 WeakPolarHBondContact O-CB 3.36Å; V347-F350 WeakPolarHBondContact O-CD2 3.35Å; V347-F350 PolarHBondContact O-N 2.75Å; E348-F350 VanDerWaalsContact O-CD2 3.3Å; E348-F350 WeakPolarHBondContact O-CD2 3.41Å; E348-F350 PolarHBondContact O-N 3.3Å; F350-L352 HydrophobicContact CB-CD1 4.43Å; F350-R374 HydrophobicContact CB-CG 3.96Å; F350-R374 HydrophobicContact CD1-CG 4.5Å; F350-R374 VanDerWaalsContact CZ-NH1 3.35Å; F350-D376 HydrophobicContact CD1-CB 4.04Å; F350-D376 HydrophobicContact CE1-CB 3.97Å; F350-D376 VanDerWaalsContact CE1-CG 3.45Å; F350-D376 WeakPolarHBondContact CE1-OD2 3.28Å
351L97Very high91.8Very high4 Ų423.6 Ų23.62%0.02112%0.115CC..EExtended strand (participates in β ladder)trans-108.9129.8172.4-58.5170.4000109.8L302 V344 E346 R374 Y375 S594 V596L302-L351 HydrophobicContact CD1-CD1 3.27Å; L302-L351 HydrophobicContact CD1-CG 4.44Å; V344-L351 HydrophobicContact CG1-CB 4.03Å; V344-L351 HydrophobicContact CG1-CD2 3.91Å; V344-L351 HydrophobicContact CG1-CG 4.41Å; E346-L351 HydrophobicContact CB-CD2 4.18Å; E346-L351 HydrophobicContact CG-CD2 4.39Å; L351-R374 CarbonylContact O-C 3.55Å; L351-R374 VanDerWaalsContact O-CA 3.25Å; L351-R374 WeakPolarHBondContact O-CA 3.23Å; L351-Y375 HydrophobicContact CD1-CD1 3.92Å; L351-Y375 HydrophobicContact CG-CD1 4.41Å; L351-Y375 PolarHBondContact N-O 2.99Å; L351-Y375 PolarHBondContact O-N 2.97Å; L351-S594 WeakPolarHBondContact CD2-OG 3.49Å; L351-V596 HydrophobicContact CD1-CG1 3.76Å; L351-V596 HydrophobicContact CD2-CG1 3.41Å; L351-V596 VanDerWaalsContact CD2-CG1 3.41Å; L351-V596 HydrophobicContact CG-CG1 3.52Å
352L97.7Very high89.9Confident1 Ų126.9 Ų26.91%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-104.8116.5172.1-75.676.8000108.3V344 V345 V347 F350 S373 R374 L385 L404 L424V344-L352 CarbonylContact C-O 3.54Å; V344-L352 VanDerWaalsContact CA-O 3.28Å; V344-L352 WeakPolarHBondContact CA-O 3.11Å; V345-L352 PolarHBondContact N-O 3.42Å; V345-L352 PolarHBondContact O-N 2.84Å; V347-L352 HydrophobicContact CB-CD1 3.89Å; V347-L352 HydrophobicContact CG2-CD1 3.65Å; F350-L352 HydrophobicContact CB-CD1 4.43Å; L352-S373 CarbonylContact C-O 3.6Å; L352-S373 WeakPolarHBondContact CA-O 3.43Å; L352-R374 HydrophobicContact CD1-CG 3.89Å; L352-R374 HydrophobicContact CG-CB 4.27Å; L352-R374 HydrophobicContact CG-CG 4.15Å; L352-L385 HydrophobicContact CD2-CD1 3.75Å; L352-L385 HydrophobicContact CG-CD1 4.31Å; L352-L404 HydrophobicContact CB-CD1 4.41Å; L352-L404 HydrophobicContact CD2-CD1 3.53Å; L352-L424 HydrophobicContact CD2-CD2 4.32Å
353L98Very high87.7Confident1 Ų134 Ų341%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-89.1124.8173.4176.267000108.7V304 M335 Y337 H342 V344 V372 S373 W382V304-L353 HydrophobicContact CG1-CD1 4.23Å; M335-L353 HydrophobicContact CB-CD2 4.25Å; M335-L353 HydrophobicContact CG-CD2 4.16Å; M335-L353 HydrophobicContact SD-CD1 3.77Å; M335-L353 HydrophobicContact SD-CD2 3.47Å; M335-L353 WeakPolarHBondContact SD-CD2 3.4Å; M335-L353 HydrophobicContact SD-CG 4.26Å; Y337-L353 HydrophobicContact CE1-CD2 4.19Å; Y337-L353 HydrophobicContact CE2-CD2 3.79Å; Y337-L353 HydrophobicContact CE2-CG 4.3Å; H342-L353 HydrophobicContact CB-CD1 4.26Å; H342-L353 WeakPolarHBondContact CD2-CD1 3.37Å; V344-L353 HydrophobicContact CG2-CD1 3.96Å; L353-V372 WeakPolarHBondContact O-CA 3.42Å; L353-S373 PolarHBondContact N-O 2.78Å; L353-S373 PolarHBondContact O-N 3.13Å; L353-W382 HydrophobicContact CB-CH2 4.4Å; L353-W382 HydrophobicContact CB-CZ3 3.94Å; L353-W382 HydrophobicContact CD2-CH2 4.41Å; L353-W382 HydrophobicContact CD2-CZ3 4.28Å
354L98.4Very high85.7Confident0 Ų037 Ų370%020%0.204CC..EExtended strand (participates in β ladder)trans-125.6121.6-171.4-58.8166.6000110.4H342 C343 V345 V372 F395 A397 V406 W429H342-L354 VanDerWaalsContact CB-O 3.23Å; H342-L354 WeakPolarHBondContact CB-O 3.29Å; C343-L354 PolarHBondContact N-O 2.88Å; C343-L354 VanDerWaalsContact N-O 3.13Å; C343-L354 PolarHBondContact O-N 3.1Å; V345-L354 HydrophobicContact CG2-CD1 3.91Å; L354-V372 HydrophobicContact CD2-CB 4.23Å; L354-V372 HydrophobicContact CD2-CG1 3.6Å; L354-V372 HydrophobicContact CD2-CG2 3.79Å; L354-F395 HydrophobicContact CB-CE2 4.22Å; L354-F395 HydrophobicContact CB-CZ 3.94Å; L354-F395 WeakPolarHBondContact O-CZ 3.42Å; L354-A397 HydrophobicContact CD1-CB 3.52Å; L354-V406 HydrophobicContact CD1-CG2 4.27Å; L354-W429 HydrophobicContact CD2-CH2 4.47Å; L354-W429 HydrophobicContact CD2-CZ2 4.44Å
355G97.1Very high83.8Confident0 Ų038 Ų380%022%0.218CC..EExtended strand (participates in β ladder)trans53.4-139.2168.500000115.2S339 H342 T369 F371S339-G355 PolarHBondContact OG-O 2.81Å; S339-G355 VanDerWaalsContact OG-O 3.05Å; H342-G355 VanDerWaalsContact CB-O 3.31Å; H342-G355 WeakPolarHBondContact CB-O 3.28Å; G355-T369 WeakPolarHBondContact CA-OG1 3.25Å; G355-T369 PolarHBondContact O-OG1 2.87Å; G355-F371 PolarHBondContact N-O 2.92Å
356G95.4Very high82.7Confident0 Ų041.1 Ų41.10%023%0.23CC..EExtended strand (participates in β ladder)trans94.3-168.8-176.400000112.7A340 T369 R392A340-G356 WeakPolarHBondContact O-CA 3.25Å; G356-T369 PolarHBondContact O-N 2.91Å; G356-T369 PolarHBondContact O-OG1 2.82Å; G356-R392 PolarHBondContact N-O 3.47Å
357E91.6Very high82.2Confident1 Ų141.4 Ų41.41%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-111.5129.3176.260.3-171.2-15400111.1P315 S339 A340 H341 K366 H367 A393 R410P315-E357 WeakPolarHBondContact CG-O 3.44Å; S339-E357 CarbonylContact C-O 3.6Å; S339-E357 VanDerWaalsContact CA-O 3.3Å; S339-E357 WeakPolarHBondContact CA-O 3.37Å; A340-E357 HydrophobicContact CB-CG 4.28Å; A340-E357 PolarHBondContact N-O 2.96Å; A340-E357 PolarHBondContact O-N 2.99Å; H341-E357 IonicContact CD2-OE1 3.32Å; H341-E357 PolarHBondContact CD2-OE1 3.36Å; H341-E357 VanDerWaalsContact CD2-OE1 3.22Å; H341-E357 IonicContact NE2-OE1 3.57Å; E357-K366 IonicContact OE1-NZ 3.6Å; E357-K366 WeakPolarHBondContact OE2-CD 3.47Å; E357-K366 IonicContact OE2-NZ 3.19Å; E357-H367 VanDerWaalsContact CA-O 3.25Å; E357-H367 WeakPolarHBondContact CA-O 3.5Å; E357-H367 WeakPolarHBondContact CB-O 3.28Å; E357-A393 HydrophobicContact CB-CB 4.32Å; E357-R410 IonicContact OE2-CZ 3.79Å; E357-R410 IonicContact OE2-NH1 3.32Å; E357-R410 PolarHBondContact OE2-NH1 3.05Å; E357-R410 IonicContact OE2-NH2 2.8Å; E357-R410 PolarHBondContact OE2-NH2 3.44Å
358D87.8Confident82.1Confident25 Ų2541.4 Ų41.413%0.13423%0.231CC..EExtended strand (participates in β ladder)trans-101.8-15.5-175.362.8-11.8000113.2N338 H367 T369N338-D358 VanDerWaalsContact O-CA 3.29Å; N338-D358 WeakPolarHBondContact O-CA 3.41Å; N338-D358 VanDerWaalsContact O-CB 3.27Å; N338-D358 WeakPolarHBondContact O-CB 3.41Å; D358-H367 IonicContact OD1-CE1 2.73Å; D358-H367 IonicContact OD1-CG 2.66Å; D358-H367 IonicContact OD1-ND1 2.72Å; D358-H367 PolarHBondContact OD1-ND1 2.79Å; D358-H367 IonicContact OD2-CE1 3.17Å; D358-H367 IonicContact OD2-ND1 3.48Å; D358-H367 PolarHBondContact OD2-ND1 2.93Å; D358-T369 HydrophobicContact CB-CG2 3.92Å; D358-T369 VanDerWaalsContact CG-CG2 3.49Å
359Q77Confident82.2Confident105 Ų10538.4 Ų38.449%0.49122%0.218SC..EExtended strand (participates in β ladder)trans-135.9139-178.9-63.2179.626.200111.1H367Q359-H367 HydrophobicContact CB-CB 4.45Å
360W65.6Low82.4Confident67 Ų6738.5 Ų38.525%0.25422%0.218SC..EExtended strand (participates in β ladder)trans-106.7106.5162.5-179.3-90.1000108.9R313 K366R313-W360 HydrophobicContact CB-CB 3.76Å; R313-W360 HydrophobicContact CB-CD2 4.19Å; R313-W360 HydrophobicContact CB-CG 3.6Å; R313-W360 HydrophobicContact CG-CG 4.32Å; R313-W360 VanDerWaalsContact NH1-CH2 3.28Å; R313-W360 WeakPolarHBondContact O-CB 3.26Å; W360-K366 HydrophobicContact CE3-CG 4.44Å; W360-K366 HydrophobicContact CZ3-CD 4.32Å; W360-K366 HydrophobicContact CZ3-CG 4.32Å
361N59.9Low82.4Confident61 Ų6142 Ų4233%0.32623%0.233SC..EExtended strand (participates in β ladder)trans-118.5113.2171.1-168.3-30.4000110.1N363 A364 G365N361-N363 PolarHBondContact O-N 2.94Å; N361-N363 VanDerWaalsContact O-N 3.15Å; N361-N363 WeakPolarHBondContact OD1-CA 3.41Å; N361-N363 PolarHBondContact OD1-N 2.84Å; N361-A364 HydrophobicContact CB-CB 3.82Å; N361-A364 VanDerWaalsContact CG-CB 3.46Å; N361-A364 VanDerWaalsContact CG-N 3.34Å; N361-A364 VanDerWaalsContact ND2-CB 3.29Å; N361-A364 WeakPolarHBondContact ND2-CB 3.42Å; N361-A364 PolarHBondContact OD1-N 2.92Å; N361-G365 PolarHBondContact O-N 2.88Å
362P54.6Low82.5Confident103 Ų10342 Ų4267%0.66923%0.233SC*.THydrogen-bonded Turntrans-57-28175.9-2231.3000113.7
363N52.3Low82.5Confident160 Ų16042 Ų4286%0.85623%0.233SC*.THydrogen-bonded Turntrans-104-24.6-173.6-63-23.6000113.8N361N361-N363 PolarHBondContact O-N 2.94Å; N361-N363 VanDerWaalsContact O-N 3.15Å; N361-N363 WeakPolarHBondContact OD1-CA 3.41Å; N361-N363 PolarHBondContact OD1-N 2.84Å
364A55.3Low82.4Confident80 Ų8042.1 Ų42.166%0.66123%0.234SC*.THydrogen-bonded Turntrans-107.60.6-179.900000114N361N361-A364 HydrophobicContact CB-CB 3.82Å; N361-A364 VanDerWaalsContact CG-CB 3.46Å; N361-A364 VanDerWaalsContact CG-N 3.34Å; N361-A364 VanDerWaalsContact ND2-CB 3.29Å; N361-A364 WeakPolarHBondContact ND2-CB 3.42Å; N361-A364 PolarHBondContact OD1-N 2.92Å
365G58.8Low82.4Confident40 Ų4042.2 Ų42.241%0.41223%0.234SC..EExtended strand (participates in β ladder)trans80.9175.8-178.800000113.4N361N361-G365 PolarHBondContact O-N 2.88Å
366K73.8Confident82.2Confident76 Ų7642.4 Ų42.433%0.3324%0.235SC..EExtended strand (participates in β ladder)trans-80.9119.6177.2-59.2178.3173.7-1420108.9E357 W360 R410E357-K366 IonicContact OE1-NZ 3.6Å; E357-K366 WeakPolarHBondContact OE2-CD 3.47Å; E357-K366 IonicContact OE2-NZ 3.19Å; W360-K366 HydrophobicContact CE3-CG 4.44Å; W360-K366 HydrophobicContact CZ3-CD 4.32Å; W360-K366 HydrophobicContact CZ3-CG 4.32Å; K366-R410 VanDerWaalsContact CD-NH1 3.3Å
367H86.9Confident82.1Confident57 Ų5742.4 Ų42.426%0.26424%0.235SC..EExtended strand (participates in β ladder)trans-86.5119.6177.4176-107.5000110.1E357 D358 Q359 R391 E412E357-H367 VanDerWaalsContact CA-O 3.25Å; E357-H367 WeakPolarHBondContact CA-O 3.5Å; E357-H367 WeakPolarHBondContact CB-O 3.28Å; D358-H367 IonicContact OD1-CE1 2.73Å; D358-H367 IonicContact OD1-CG 2.66Å; D358-H367 IonicContact OD1-ND1 2.72Å; D358-H367 PolarHBondContact OD1-ND1 2.79Å; D358-H367 IonicContact OD2-CE1 3.17Å; D358-H367 IonicContact OD2-ND1 3.48Å; D358-H367 PolarHBondContact OD2-ND1 2.93Å; Q359-H367 HydrophobicContact CB-CB 4.45Å; H367-R391 PolarHBondContact NE2-NH1 3.46Å; H367-E412 WeakPolarHBondContact CA-OE1 3.2Å; H367-E412 IonicContact CD2-OE1 3.5Å
368S93.5Very high82Confident0 Ų043.4 Ų43.40%024%0.239CC..EExtended strand (participates in β ladder)trans-92.5141.9176.7-57.20000110.1R391 R410 E412S368-R391 WeakPolarHBondContact O-CB 3.21Å; S368-R391 WeakPolarHBondContact O-CD 3.44Å; S368-R391 WeakPolarHBondContact O-CG 3.31Å; S368-R391 PolarHBondContact O-NH1 2.57Å; S368-R410 PolarHBondContact OG-O 2.95Å; S368-E412 PolarHBondContact N-OE1 3.38Å
369T95.9Very high82.1Confident0 Ų045 Ų450%025%0.245CC..EExtended strand (participates in β ladder)trans-110.5159.7-179.166.80000111.1G355 G356 D358 F371 R391 R392G355-T369 WeakPolarHBondContact CA-OG1 3.25Å; G355-T369 PolarHBondContact O-OG1 2.87Å; G356-T369 PolarHBondContact O-N 2.91Å; G356-T369 PolarHBondContact O-OG1 2.82Å; D358-T369 HydrophobicContact CB-CG2 3.92Å; D358-T369 VanDerWaalsContact CG-CG2 3.49Å; T369-F371 HydrophobicContact CG2-CD2 4.07Å; T369-F371 HydrophobicContact CG2-CE2 4.01Å; T369-R391 WeakPolarHBondContact O-CA 3.39Å; T369-R392 PolarHBondContact O-N 2.84Å
370N97.4Very high82.7Confident24 Ų2441.1 Ų41.113%0.12823%0.228CC..EExtended strand (participates in β ladder)trans-117.414.9172.165-25.1000112.1P387 M388 E390 R391N370-P387 CarbonylContact O-C 3.59Å; N370-P387 VanDerWaalsContact O-CA 3.25Å; N370-P387 WeakPolarHBondContact O-CA 3.47Å; N370-P387 VanDerWaalsContact O-CB 3.23Å; N370-P387 WeakPolarHBondContact O-CB 3.36Å; N370-M388 HydrophobicContact CB-CB 4.1Å; N370-M388 HydrophobicContact CB-CE 4.42Å; N370-M388 WeakPolarHBondContact CB-O 3.37Å; N370-M388 PolarHBondContact ND2-O 3.28Å; N370-M388 PolarHBondContact O-N 2.89Å; N370-E390 VanDerWaalsContact CB-O 3.29Å; N370-E390 WeakPolarHBondContact CB-O 3.49Å; N370-R391 HydrophobicContact CB-CG 4.02Å
371F97.3Very high84Confident76 Ų7640.1 Ų40.133%0.33323%0.231SC..EExtended strand (participates in β ladder)trans-68144.3-175.9-58.2-34.9000111.6Y337 G355 T369Y337-F371 HydrophobicContact CD1-CB 4.46Å; Y337-F371 HydrophobicContact CD1-CD2 4.14Å; Y337-F371 HydrophobicContact CD2-CD2 4.39Å; Y337-F371 HydrophobicContact CE1-CB 3.69Å; Y337-F371 HydrophobicContact CE1-CD2 4.18Å; Y337-F371 HydrophobicContact CE1-CG 4.34Å; Y337-F371 HydrophobicContact CE2-CB 4.3Å; Y337-F371 HydrophobicContact CE2-CD2 4.41Å; Y337-F371 HydrophobicContact CG-CD2 4.27Å; Y337-F371 WeakPolarHBondContact OH-CB 3.24Å; Y337-F371 PolarHBondContact OH-O 3.06Å; G355-F371 PolarHBondContact N-O 2.92Å; T369-F371 HydrophobicContact CG2-CD2 4.07Å; T369-F371 HydrophobicContact CG2-CE2 4.01Å
372V97.8Very high85.7Confident4 Ų439.8 Ų39.82%0.02423%0.225CC..EExtended strand (participates in β ladder)trans-129.6120.8175.5-176.40000107.9L353 L354 L385 P386 M388 W429L353-V372 WeakPolarHBondContact O-CA 3.42Å; L354-V372 HydrophobicContact CD2-CB 4.23Å; L354-V372 HydrophobicContact CD2-CG1 3.6Å; L354-V372 HydrophobicContact CD2-CG2 3.79Å; V372-L385 HydrophobicContact CB-CB 4.19Å; V372-L385 HydrophobicContact CG1-CB 3.83Å; V372-L385 HydrophobicContact CG1-CD1 4.11Å; V372-L385 HydrophobicContact CG1-CG 4.46Å; V372-L385 PolarHBondContact O-N 3.47Å; V372-P386 WeakPolarHBondContact CG2-O 3.23Å; V372-M388 HydrophobicContact CG2-CG 3.86Å; V372-W429 HydrophobicContact CG2-CZ2 3.93Å
373S97.4Very high87.7Confident1 Ų137.2 Ų37.21%0.00721%0.205CC..EExtended strand (participates in β ladder)trans-128.1143176.4-63.80000110.4Y337 L352 L353 I383Y337-S373 WeakPolarHBondContact CE1-OG 3.26Å; L352-S373 CarbonylContact C-O 3.6Å; L352-S373 WeakPolarHBondContact CA-O 3.43Å; L353-S373 PolarHBondContact N-O 2.78Å; L353-S373 PolarHBondContact O-N 3.13Å; S373-I383 CarbonylContact C-O 3.58Å; S373-I383 WeakPolarHBondContact CA-O 3.2Å
374R96.9Very high89.8Confident5 Ų536.8 Ų36.82%0.01920%0.198CC..EExtended strand (participates in β ladder)trans-111.7124.8176.4-173.7-168.472.7131.91.9110.3P281 F350 L351 L352 W382 I383 L385P281-R374 VanDerWaalsContact O-CZ 3.27Å; P281-R374 PolarHBondContact O-NH1 3.26Å; P281-R374 PolarHBondContact O-NH2 2.86Å; F350-R374 HydrophobicContact CB-CG 3.96Å; F350-R374 HydrophobicContact CD1-CG 4.5Å; F350-R374 VanDerWaalsContact CZ-NH1 3.35Å; L351-R374 CarbonylContact O-C 3.55Å; L351-R374 VanDerWaalsContact O-CA 3.25Å; L351-R374 WeakPolarHBondContact O-CA 3.23Å; L352-R374 HydrophobicContact CD1-CG 3.89Å; L352-R374 HydrophobicContact CG-CB 4.27Å; L352-R374 HydrophobicContact CG-CG 4.15Å; R374-W382 WeakPolarHBondContact O-CA 3.25Å; R374-I383 HydrophobicContact CB-CG1 3.91Å; R374-I383 PolarHBondContact N-O 3.04Å; R374-I383 PolarHBondContact O-N 3.12Å; R374-L385 HydrophobicContact CB-CD1 3.91Å; R374-L385 HydrophobicContact CB-CG 4.21Å
375Y97.1Very high91.7Very high1 Ų133.9 Ų33.90%0.00417%0.171CC..EExtended strand (participates in β ladder)trans-89.5135.3170.4-179.9-118.8000111.2L332 T333 L351 P377 N380 W382L332-Y375 HydrophobicContact CD2-CE1 3.93Å; T333-Y375 HydrophobicContact CG2-CD2 4.14Å; T333-Y375 HydrophobicContact CG2-CE2 3.62Å; L351-Y375 HydrophobicContact CD1-CD1 3.92Å; L351-Y375 HydrophobicContact CG-CD1 4.41Å; L351-Y375 PolarHBondContact N-O 2.99Å; L351-Y375 PolarHBondContact O-N 2.97Å; Y375-P377 HydrophobicContact CD1-CB 4.49Å; Y375-P377 HydrophobicContact CE1-CB 3.86Å; Y375-N380 VanDerWaalsContact CE2-OD1 3.26Å; Y375-N380 WeakPolarHBondContact CE2-OD1 3.44Å; Y375-N380 PolarHBondContact OH-OD1 2.95Å; Y375-W382 AromaticContact CD2-CD2 3.95Å; Y375-W382 HydrophobicContact CD2-CD2 3.95Å; Y375-W382 AromaticContact CD2-CE2 3.56Å; Y375-W382 HydrophobicContact CD2-CG 4.28Å; Y375-W382 AromaticContact CD2-CZ2 3.94Å; Y375-W382 HydrophobicContact CD2-CZ2 3.94Å; Y375-W382 AromaticContact CD2-NE1 3.65Å; Y375-W382 HydrophobicContact CG-CD2 4.38Å; Y375-W382 HydrophobicContact CG-CH2 4.33Å; Y375-W382 HydrophobicContact CG-CZ2 4.05Å
376D94.5Very high93.5Very high4 Ų433.9 Ų33.92%0.02116%0.164CC..EExtended strand (participates in β ladder)trans-110.3107.3172-172.6-13.6000110.3F350 R378 F379 N380 S381F350-D376 HydrophobicContact CD1-CB 4.04Å; F350-D376 HydrophobicContact CE1-CB 3.97Å; F350-D376 VanDerWaalsContact CE1-CG 3.45Å; F350-D376 WeakPolarHBondContact CE1-OD2 3.28Å; D376-R378 PolarHBondContact O-N 2.95Å; D376-R378 WeakPolarHBondContact OD1-CB 3.33Å; D376-R378 WeakPolarHBondContact OD1-CG 3.49Å; D376-R378 IonicContact OD1-CZ 3.3Å; D376-R378 PolarHBondContact OD1-N 3.38Å; D376-R378 IonicContact OD1-NE 3.35Å; D376-R378 PolarHBondContact OD1-NE 2.9Å; D376-R378 IonicContact OD1-NH2 2.85Å; D376-R378 IonicContact OD2-CZ 3.96Å; D376-R378 IonicContact OD2-NE 2.8Å; D376-R378 PolarHBondContact OD2-NE 2.98Å; D376-R378 IonicContact OD2-NH2 2.8Å; D376-R378 PolarHBondContact OD2-NH2 3.12Å; D376-F379 PolarHBondContact O-N 3.49Å; D376-F379 WeakPolarHBondContact OD2-CD2 3.43Å; D376-N380 WeakPolarHBondContact O-CA 3.4Å; D376-N380 PolarHBondContact O-N 3.32Å; D376-S381 PolarHBondContact N-O 3.11Å; D376-S381 PolarHBondContact O-N 3.37Å
377P92.8Very high94.7Very high1 Ų133.5 Ų33.51%0.00617%0.169CC..THydrogen-bonded Turntrans-69.2-12.4-179.328-34.6000113.6I294 N349 Y375 L598 P599I294-P377 HydrophobicContact CD1-CB 4.26Å; I294-P377 HydrophobicContact CD1-CG 4.08Å; N349-P377 VanDerWaalsContact O-CD 3.26Å; N349-P377 WeakPolarHBondContact O-CD 3.41Å; N349-P377 WeakPolarHBondContact O-CG 3.37Å; Y375-P377 HydrophobicContact CD1-CB 4.49Å; Y375-P377 HydrophobicContact CE1-CB 3.86Å; P377-L598 HydrophobicContact CB-CD2 3.93Å; P377-P599 WeakPolarHBondContact O-CD 3.34Å; P377-P599 WeakPolarHBondContact O-CG 3.42Å
378R89.7Confident95.2Very high22 Ų2230.9 Ų30.98%0.08316%0.157CC..THydrogen-bonded Turntrans-73.4-39-179.3-59.2171-63.2153.79.3111.6A244 L245 Y277 I294 D376A244-R378 PolarHBondContact O-NH1 3.3Å; L245-R378 HydrophobicContact CD2-CB 4.42Å; L245-R378 HydrophobicContact CD2-CG 3.96Å; Y277-R378 VanDerWaalsContact CZ-NH1 3.31Å; Y277-R378 VanDerWaalsContact OH-CZ 3.25Å; Y277-R378 PolarHBondContact OH-NH1 2.87Å; Y277-R378 PolarHBondContact OH-NH2 2.85Å; I294-R378 HydrophobicContact CD1-CG 3.66Å; I294-R378 HydrophobicContact CG1-CG 3.55Å; D376-R378 PolarHBondContact O-N 2.95Å; D376-R378 WeakPolarHBondContact OD1-CB 3.33Å; D376-R378 WeakPolarHBondContact OD1-CG 3.49Å; D376-R378 IonicContact OD1-CZ 3.3Å; D376-R378 PolarHBondContact OD1-N 3.38Å; D376-R378 IonicContact OD1-NE 3.35Å; D376-R378 PolarHBondContact OD1-NE 2.9Å; D376-R378 IonicContact OD1-NH2 2.85Å; D376-R378 IonicContact OD2-CZ 3.96Å; D376-R378 IonicContact OD2-NE 2.8Å; D376-R378 PolarHBondContact OD2-NE 2.98Å; D376-R378 IonicContact OD2-NH2 2.8Å; D376-R378 PolarHBondContact OD2-NH2 3.12Å
379F89.1Confident95.4Very high57 Ų5735.2 Ų35.225%0.2518%0.177CC..THydrogen-bonded Turntrans-115.12.2-177.1-53-60.5000112.5L245 P247 H278 D376 S381L245-F379 WeakPolarHBondContact O-CE1 3.45Å; P247-F379 HydrophobicContact CG-CD1 4.19Å; P247-F379 HydrophobicContact CG-CE1 4.01Å; H278-F379 AromaticContact CE1-CE2 3.98Å; H278-F379 AromaticContact CE1-CZ 3.78Å; D376-F379 PolarHBondContact O-N 3.49Å; D376-F379 WeakPolarHBondContact OD2-CD2 3.43Å; F379-S381 VanDerWaalsContact C-N 3.27Å; F379-S381 PolarHBondContact O-N 2.78Å
380N91Very high95.5Very high25 Ų2538.2 Ų38.213%0.13419%0.191CC..THydrogen-bonded Turntrans49.749.4-175.5-172.324.2000112T333 Y375 D376 P603 N605T333-N380 WeakPolarHBondContact CB-OD1 3.29Å; T333-N380 PolarHBondContact OG1-OD1 3.13Å; T333-N380 VanDerWaalsContact OG1-OD1 3.07Å; Y375-N380 VanDerWaalsContact CE2-OD1 3.26Å; Y375-N380 WeakPolarHBondContact CE2-OD1 3.44Å; Y375-N380 PolarHBondContact OH-OD1 2.95Å; D376-N380 WeakPolarHBondContact O-CA 3.4Å; D376-N380 PolarHBondContact O-N 3.32Å; N380-P603 HydrophobicContact CB-CG 3.81Å; N380-P603 PolarHBondContact ND2-O 3.19Å; N380-N605 PolarHBondContact ND2-OD1 3.17Å
381S92.5Very high95.5Very high46 Ų4641.6 Ų41.632%0.32220%0.202SC..EExtended strand (participates in β ladder)trans-130.7150.4-171.265.20000111.8D376 F379D376-S381 PolarHBondContact N-O 3.11Å; D376-S381 PolarHBondContact O-N 3.37Å; F379-S381 VanDerWaalsContact C-N 3.27Å; F379-S381 PolarHBondContact O-N 2.78Å
382W95.8Very high95.4Very high54 Ų5438 Ų3821%0.20519%0.186CC..EExtended strand (participates in β ladder)trans-108.6145.4175.1-65.790.1000111.4V319 T333 I334 M335 P336 L353 R374 Y375V319-W382 HydrophobicContact CG2-CZ2 3.96Å; T333-W382 HydrophobicContact CG2-CZ2 4.08Å; I334-W382 PolarHBondContact O-NE1 3.34Å; M335-W382 HydrophobicContact CG-CH2 4.24Å; M335-W382 HydrophobicContact CG-CZ2 4.13Å; P336-W382 HydrophobicContact CG-CB 3.72Å; P336-W382 HydrophobicContact CG-CD2 3.81Å; P336-W382 HydrophobicContact CG-CE3 3.99Å; P336-W382 HydrophobicContact CG-CG 3.7Å; L353-W382 HydrophobicContact CB-CH2 4.4Å; L353-W382 HydrophobicContact CB-CZ3 3.94Å; L353-W382 HydrophobicContact CD2-CH2 4.41Å; L353-W382 HydrophobicContact CD2-CZ3 4.28Å; R374-W382 WeakPolarHBondContact O-CA 3.25Å; Y375-W382 AromaticContact CD2-CD2 3.95Å; Y375-W382 HydrophobicContact CD2-CD2 3.95Å; Y375-W382 AromaticContact CD2-CE2 3.56Å; Y375-W382 HydrophobicContact CD2-CG 4.28Å; Y375-W382 AromaticContact CD2-CZ2 3.94Å; Y375-W382 HydrophobicContact CD2-CZ2 3.94Å; Y375-W382 AromaticContact CD2-NE1 3.65Å; Y375-W382 HydrophobicContact CG-CD2 4.38Å; Y375-W382 HydrophobicContact CG-CH2 4.33Å; Y375-W382 HydrophobicContact CG-CZ2 4.05Å
383I95.6Very high95.4Very high48 Ų4837.8 Ų37.825%0.24619%0.185CC..EExtended strand (participates in β ladder)trans-125.9147.9165.365.6170.2000109.6P281 S373 R374 L385P281-I383 HydrophobicContact CB-CD1 4.04Å; S373-I383 CarbonylContact C-O 3.58Å; S373-I383 WeakPolarHBondContact CA-O 3.2Å; R374-I383 HydrophobicContact CB-CG1 3.91Å; R374-I383 PolarHBondContact N-O 3.04Å; R374-I383 PolarHBondContact O-N 3.12Å; I383-L385 HydrophobicContact CD1-CD2 4.05Å; I383-L385 HydrophobicContact CG1-CD2 4.39Å
384Q96Very high95.3Very high152 Ų15238.7 Ų38.771%0.7119%0.192SC*.EExtended strand (participates in β ladder)trans-82.7141.9169.8-69.1-173.1-38.600110.2
385L96.2Very high95.4Very high19 Ų1939 Ų3910%0.09919%0.193CC..EExtended strand (participates in β ladder)trans-115169.7173-63.3-176.8000109.4F282 L352 V372 R374 I383F282-L385 HydrophobicContact CB-CD2 3.95Å; L352-L385 HydrophobicContact CD2-CD1 3.75Å; L352-L385 HydrophobicContact CG-CD1 4.31Å; V372-L385 HydrophobicContact CB-CB 4.19Å; V372-L385 HydrophobicContact CG1-CB 3.83Å; V372-L385 HydrophobicContact CG1-CD1 4.11Å; V372-L385 HydrophobicContact CG1-CG 4.46Å; V372-L385 PolarHBondContact O-N 3.47Å; R374-L385 HydrophobicContact CB-CD1 3.91Å; R374-L385 HydrophobicContact CB-CG 4.21Å; I383-L385 HydrophobicContact CD1-CD2 4.05Å; I383-L385 HydrophobicContact CG1-CD2 4.39Å
386P97.2Very high95.4Very high40 Ų4040.3 Ų40.326%0.2620%0.199SC..PPolyproline II helixtrans-53.3131.1174.6-27.136.1000111.6V372 Y422 N427 W429V372-P386 WeakPolarHBondContact CG2-O 3.23Å; P386-Y422 HydrophobicContact CG-CE2 4.49Å; P386-N427 WeakPolarHBondContact CD-ND2 3.45Å; P386-N427 WeakPolarHBondContact CG-ND2 3.32Å; P386-W429 PolarHBondContact O-NE1 2.74Å
387P98.1Very high95.6Very high67 Ų6740.5 Ų40.544%0.43520%0.201SC..PPolyproline II helixtrans-67.4156.7-179.730.7-35.9000110.8N370 W429N370-P387 CarbonylContact O-C 3.59Å; N370-P387 VanDerWaalsContact O-CA 3.25Å; N370-P387 WeakPolarHBondContact O-CA 3.47Å; N370-P387 VanDerWaalsContact O-CB 3.23Å; N370-P387 WeakPolarHBondContact O-CB 3.36Å; P387-W429 PolarHBondContact O-NE1 3.02Å
388M98.3Very high95.9Very high2 Ų241 Ų411%0.0121%0.205CC..PPolyproline II helixtrans-60.2154.6168.4-55.9179.3-61.200109.6N370 V372 R392 F395 V406 W429N370-M388 HydrophobicContact CB-CB 4.1Å; N370-M388 HydrophobicContact CB-CE 4.42Å; N370-M388 WeakPolarHBondContact CB-O 3.37Å; N370-M388 PolarHBondContact ND2-O 3.28Å; N370-M388 PolarHBondContact O-N 2.89Å; V372-M388 HydrophobicContact CG2-CG 3.86Å; M388-R392 HydrophobicContact CE-CB 4.38Å; M388-F395 HydrophobicContact CE-CZ 4.17Å; M388-F395 HydrophobicContact SD-CE2 4.49Å; M388-F395 HydrophobicContact SD-CZ 4.38Å; M388-V406 HydrophobicContact SD-CB 4.28Å; M388-V406 HydrophobicContact SD-CG1 3.72Å; M388-V406 HydrophobicContact SD-CG2 3.87Å; M388-W429 HydrophobicContact CG-CH2 3.75Å; M388-W429 HydrophobicContact CG-CZ2 3.61Å; M388-W429 HydrophobicContact CG-CZ3 4.34Å; M388-W429 HydrophobicContact SD-CH2 4.4Å
389Q97.8Very high96.2Very high92 Ų9243.5 Ų43.543%0.4321%0.214SC..SBendtrans-71.7-35.3178.4-61.2-177.878.200111.1E420 W429 Y431Q389-E420 VanDerWaalsContact CB-OE2 3.26Å; Q389-E420 WeakPolarHBondContact CB-OE2 3.48Å; Q389-E420 PolarHBondContact N-OE2 2.93Å; Q389-W429 HydrophobicContact CG-CB 4.17Å; Q389-Y431 HydrophobicContact CB-CE2 4.31Å; Q389-Y431 VanDerWaalsContact CB-OH 3.28Å; Q389-Y431 WeakPolarHBondContact CB-OH 3.49Å; Q389-Y431 VanDerWaalsContact CD-CE2 3.42Å; Q389-Y431 HydrophobicContact CG-CE2 4.49Å
390E96.7Very high96.6Very high62 Ų6241.5 Ų41.529%0.2921%0.206SC..SBendtrans-105.2146.4174.2-68.1-74.6-177.800112.3N370 R392 E420N370-E390 VanDerWaalsContact CB-O 3.29Å; N370-E390 WeakPolarHBondContact CB-O 3.49Å; E390-R392 HydrophobicContact CB-CG 4.11Å; E390-R392 VanDerWaalsContact CB-NH2 3.33Å; E390-R392 VanDerWaalsContact CG-NH2 3.32Å; E390-E420 WeakPolarHBondContact CB-OE1 3.41Å; E390-E420 PolarHBondContact N-OE1 2.88Å
391R97Very high96.6Very high95 Ų9546.2 Ų46.236%0.35823%0.231SC..  trans-74.6134.5165.6-67.8169.9-173.8-82.5-7.4108.8H367 S368 T369 N370 N411H367-R391 PolarHBondContact NE2-NH1 3.46Å; S368-R391 WeakPolarHBondContact O-CB 3.21Å; S368-R391 WeakPolarHBondContact O-CD 3.44Å; S368-R391 WeakPolarHBondContact O-CG 3.31Å; S368-R391 PolarHBondContact O-NH1 2.57Å; T369-R391 WeakPolarHBondContact O-CA 3.39Å; N370-R391 HydrophobicContact CB-CG 4.02Å; R391-N411 HydrophobicContact CB-CB 4.39Å; R391-N411 VanDerWaalsContact O-CB 3.28Å; R391-N411 WeakPolarHBondContact O-CB 3.31Å
392R96.8Very high96.6Very high0 Ų049.1 Ų49.10%024%0.238CC..  trans-148.5136.1-175.2-52.8178.9-175.2-89.5-1111.5G356 T369 M388 E390 F395 G408 R410 L416 S418 E420G356-R392 PolarHBondContact N-O 3.47Å; T369-R392 PolarHBondContact O-N 2.84Å; M388-R392 HydrophobicContact CE-CB 4.38Å; E390-R392 HydrophobicContact CB-CG 4.11Å; E390-R392 VanDerWaalsContact CB-NH2 3.33Å; E390-R392 VanDerWaalsContact CG-NH2 3.32Å; R392-F395 HydrophobicContact CB-CB 4.36Å; R392-F395 HydrophobicContact CB-CD1 3.55Å; R392-F395 HydrophobicContact CB-CE1 3.93Å; R392-F395 HydrophobicContact CB-CG 4.03Å; R392-F395 VanDerWaalsContact O-CE1 3.23Å; R392-F395 WeakPolarHBondContact O-CE1 3.13Å; R392-G408 WeakPolarHBondContact CD-O 3.44Å; R392-G408 PolarHBondContact NH1-O 3.06Å; R392-R410 WeakPolarHBondContact CA-O 3.49Å; R392-L416 HydrophobicContact CB-CD1 4.49Å; R392-L416 HydrophobicContact CG-CD1 3.71Å; R392-S418 PolarHBondContact NH1-O 2.83Å; R392-S418 VanDerWaalsContact NH1-O 3.11Å; R392-S418 PolarHBondContact NH1-OG 2.77Å; R392-S418 PolarHBondContact NH2-OG 3.04Å; R392-E420 IonicContact CZ-OE1 3.37Å; R392-E420 VanDerWaalsContact CZ-OE1 3.32Å; R392-E420 IonicContact NE-OE1 3.53Å; R392-E420 PolarHBondContact NE-OE1 2.72Å; R392-E420 IonicContact NH2-OE1 2.68Å; R392-E420 PolarHBondContact NH2-OE1 3.03Å
393A96Very high96.6Very high0 Ų049 Ų490%024%0.239CC..BIsolated β-bridgetrans-128.7158.9162.200000110E357 F395 G409 R410E357-A393 HydrophobicContact CB-CB 4.32Å; A393-F395 VanDerWaalsContact C-N 3.25Å; A393-F395 PolarHBondContact O-N 2.78Å; A393-G409 WeakPolarHBondContact O-CA 3.32Å; A393-R410 PolarHBondContact N-O 3.24Å; A393-R410 PolarHBondContact O-N 3.25Å
394S96.6Very high96.8Very high20 Ų2046.7 Ų46.714%0.1423%0.228CC..SBendtrans5540.8179.6-47.90000112.9H341 A441H341-S394 PolarHBondContact O-N 2.86Å; S394-A441 PolarHBondContact O-N 3.15Å
395F98.3Very high96.9Very high11 Ų1140.3 Ų40.35%0.04820%0.197CC..  trans-106.4178.6178.163.4-84.3000110.4C343 L354 M388 R392 A393 A397 V406 I407C343-F395 HydrophobicContact CB-CE2 3.96Å; C343-F395 HydrophobicContact CB-CZ 4.24Å; C343-F395 PolarHBondContact SG-O 2.85Å; L354-F395 HydrophobicContact CB-CE2 4.22Å; L354-F395 HydrophobicContact CB-CZ 3.94Å; L354-F395 WeakPolarHBondContact O-CZ 3.42Å; M388-F395 HydrophobicContact CE-CZ 4.17Å; M388-F395 HydrophobicContact SD-CE2 4.49Å; M388-F395 HydrophobicContact SD-CZ 4.38Å; R392-F395 HydrophobicContact CB-CB 4.36Å; R392-F395 HydrophobicContact CB-CD1 3.55Å; R392-F395 HydrophobicContact CB-CE1 3.93Å; R392-F395 HydrophobicContact CB-CG 4.03Å; R392-F395 VanDerWaalsContact O-CE1 3.23Å; R392-F395 WeakPolarHBondContact O-CE1 3.13Å; A393-F395 VanDerWaalsContact C-N 3.25Å; A393-F395 PolarHBondContact O-N 2.78Å; F395-A397 HydrophobicContact CD2-CB 4.35Å; F395-A397 HydrophobicContact CE2-CB 3.97Å; F395-V406 HydrophobicContact CD2-CG1 3.58Å; F395-V406 HydrophobicContact CE2-CG1 3.65Å; F395-V406 HydrophobicContact CE2-CG2 4.38Å; F395-V406 HydrophobicContact CG-CG1 4.43Å; F395-I407 WeakPolarHBondContact CB-O 3.43Å
396F98.6Very high97Very high29 Ų2939.4 Ų39.413%0.12719%0.192CC..EExtended strand (participates in β ladder)trans-113.3139.9169.9176.8-106.2000111.1C398 I407 H442 G444 I451 I453F396-C398 HydrophobicContact CE1-CB 3.7Å; F396-C398 HydrophobicContact CZ-CB 3.63Å; F396-I407 HydrophobicContact CD1-CD1 4.11Å; F396-I407 PolarHBondContact N-O 2.9Å; F396-I407 PolarHBondContact O-N 2.97Å; F396-H442 WeakPolarHBondContact CB-NE2 3.35Å; F396-H442 PolarHBondContact N-NE2 3.24Å; F396-G444 VanDerWaalsContact CD2-CA 3.48Å; F396-G444 VanDerWaalsContact CE2-CA 3.45Å; F396-G444 WeakPolarHBondContact CE2-O 3.26Å; F396-G444 VanDerWaalsContact CZ-O 3.3Å; F396-G444 WeakPolarHBondContact CZ-O 3.32Å; F396-I451 HydrophobicContact CD1-CG2 4.37Å; F396-I451 HydrophobicContact CE1-CG2 3.83Å; F396-I453 HydrophobicContact CB-CD1 3.94Å; F396-I453 HydrophobicContact CD1-CD1 3.43Å; F396-I453 VanDerWaalsContact CD1-CD1 3.43Å; F396-I453 HydrophobicContact CE1-CD1 4.2Å; F396-I453 HydrophobicContact CG-CD1 3.9Å
397A98.4Very high97.1Very high9 Ų937.5 Ų37.57%0.07418%0.18CC..EExtended strand (participates in β ladder)trans-134147.8169.900000112.2C343 V345 L354 F395 Y405 V406C343-A397 HydrophobicContact CB-CB 3.65Å; V345-A397 HydrophobicContact CG2-CB 3.92Å; L354-A397 HydrophobicContact CD1-CB 3.52Å; F395-A397 HydrophobicContact CD2-CB 4.35Å; F395-A397 HydrophobicContact CE2-CB 3.97Å; A397-Y405 CarbonylContact C-O 3.56Å; A397-Y405 WeakPolarHBondContact CA-O 3.4Å; A397-V406 HydrophobicContact CB-CG2 4.05Å
398C98.1Very high97.1Very high11 Ų1134.3 Ų34.37%0.07416%0.159CC..EExtended strand (participates in β ladder)trans-151.3161.7176.563.20000111.9F396 L404 Y405 V446 I451F396-C398 HydrophobicContact CE1-CB 3.7Å; F396-C398 HydrophobicContact CZ-CB 3.63Å; C398-L404 CarbonylContact O-C 3.57Å; C398-L404 VanDerWaalsContact O-CA 3.29Å; C398-L404 WeakPolarHBondContact O-CA 3.43Å; C398-Y405 PolarHBondContact N-O 3.45Å; C398-Y405 PolarHBondContact O-N 3.41Å; C398-V446 HydrophobicContact CB-CG2 3.55Å; C398-V446 VanDerWaalsContact SG-CG2 3.54Å; C398-I451 VanDerWaalsContact SG-CD1 3.56Å
399R97.1Very high97Very high75 Ų7534.2 Ų34.228%0.28316%0.159SC..EExtended strand (participates in β ladder)trans-94.1134.9166.3-179.7-169175.1-178.3-3.4108.6V345 E348 D401 H403 L404 L424V345-R399 HydrophobicContact CG1-CB 3.66Å; E348-R399 IonicContact OE1-CZ 3.12Å; E348-R399 VanDerWaalsContact OE1-CZ 3.3Å; E348-R399 IonicContact OE1-NH1 2.77Å; E348-R399 PolarHBondContact OE1-NH1 2.88Å; E348-R399 IonicContact OE1-NH2 3.8Å; E348-R399 PolarHBondContact OE1-NH2 2.85Å; R399-D401 PolarHBondContact NE-O 3.43Å; R399-H403 WeakPolarHBondContact CA-O 3.31Å; R399-L404 HydrophobicContact CB-CD2 3.74Å; R399-L404 HydrophobicContact CG-CD2 4.13Å; R399-L424 HydrophobicContact CG-CD1 4.48Å
400L96.5Very high96.9Very high15 Ų1531.8 Ų31.88%0.07915%0.146CC..EExtended strand (participates in β ladder)trans-140119.6165.718056.2000108.9K402 H403 Y405 V446 G449 I451 P471L400-K402 PolarHBondContact O-N 2.9Å; L400-H403 PolarHBondContact N-O 2.89Å; L400-H403 PolarHBondContact O-N 3.4Å; L400-H403 VanDerWaalsContact O-O 3.07Å; L400-Y405 HydrophobicContact CB-CD2 4.15Å; L400-Y405 HydrophobicContact CB-CE2 3.99Å; L400-V446 HydrophobicContact CD1-CG1 3.89Å; L400-G449 WeakPolarHBondContact CD2-O 3.48Å; L400-I451 HydrophobicContact CD2-CD1 4.24Å; L400-I451 HydrophobicContact CD2-CG1 3.98Å; L400-P471 HydrophobicContact CD2-CB 4.49Å; L400-P471 HydrophobicContact CD2-CG 3.7Å
401D91.6Very high96.8Very high123 Ų12329.6 Ų29.666%0.65814%0.136SC*.THydrogen-bonded Turntrans51.6-116.4-171-58.7-39000112.9R399R399-D401 PolarHBondContact NE-O 3.43Å
402K92.3Very high96.5Very high108 Ų10830 Ų3047%0.4714%0.142SC..THydrogen-bonded Turntrans-95.98.9-179.3-61.5-178.1173.2-161.70113.2L400 L424 E425L400-K402 PolarHBondContact O-N 2.9Å; K402-L424 VanDerWaalsContact O-CB 3.25Å; K402-L424 WeakPolarHBondContact O-CB 3.45Å; K402-L424 PolarHBondContact O-N 3.1Å; K402-E425 HydrophobicContact CD-CG 4.44Å; K402-E425 WeakPolarHBondContact CD-OE1 3.42Å; K402-E425 WeakPolarHBondContact CE-OE1 3.3Å; K402-E425 VanDerWaalsContact NZ-CD 3.25Å; K402-E425 IonicContact NZ-OE1 2.69Å; K402-E425 PolarHBondContact NZ-OE1 3.4Å; K402-E425 IonicContact NZ-OE2 3.08Å; K402-E425 PolarHBondContact NZ-OE2 3.11Å; K402-E425 VanDerWaalsContact NZ-OE2 3.08Å
403H96.4Very high96.1Very high51 Ų5136 Ų3624%0.23618%0.179CC..EExtended strand (participates in β ladder)trans-123.1147-177.3-62.486.7000111.3R399 L400 Y405 Y422 N423R399-H403 WeakPolarHBondContact CA-O 3.31Å; L400-H403 PolarHBondContact N-O 2.89Å; L400-H403 PolarHBondContact O-N 3.4Å; L400-H403 VanDerWaalsContact O-O 3.07Å; H403-Y405 HydrophobicContact CB-CD2 4.27Å; H403-Y405 HydrophobicContact CB-CE2 3.61Å; H403-Y422 CarbonylContact C-O 3.55Å; H403-Y422 VanDerWaalsContact CA-O 3.22Å; H403-Y422 WeakPolarHBondContact CA-O 3.47Å; H403-N423 PolarHBondContact NE2-ND2 3.3Å
404L98Very high96Very high0 Ų037.4 Ų37.40%019%0.193CC..EExtended strand (participates in β ladder)trans-95.6143.2156.2-54.3-178.6000108.8V345 V347 L352 C398 R399 S421 Y422 L424V345-L404 HydrophobicContact CB-CD2 4.4Å; V345-L404 HydrophobicContact CG1-CD2 3.8Å; V347-L404 HydrophobicContact CG2-CD2 3.84Å; L352-L404 HydrophobicContact CB-CD1 4.41Å; L352-L404 HydrophobicContact CD2-CD1 3.53Å; C398-L404 CarbonylContact O-C 3.57Å; C398-L404 VanDerWaalsContact O-CA 3.29Å; C398-L404 WeakPolarHBondContact O-CA 3.43Å; R399-L404 HydrophobicContact CB-CD2 3.74Å; R399-L404 HydrophobicContact CG-CD2 4.13Å; L404-S421 CarbonylContact O-C 3.53Å; L404-S421 WeakPolarHBondContact O-CA 3.3Å; L404-Y422 HydrophobicContact CD1-CD1 4.11Å; L404-Y422 HydrophobicContact CG-CD1 4.32Å; L404-Y422 PolarHBondContact N-O 2.86Å; L404-Y422 PolarHBondContact O-N 2.98Å; L404-L424 HydrophobicContact CD1-CD2 4.3Å; L404-L424 HydrophobicContact CD2-CD1 4.41Å; L404-L424 HydrophobicContact CD2-CD2 4.43Å; L404-L424 HydrophobicContact CG-CD2 4.02Å; L404-L424 HydrophobicContact CG-CG 4.36Å
405Y98.7Very high95.9Very high17 Ų1740.5 Ų40.57%0.06720%0.203CC..EExtended strand (participates in β ladder)trans-116.8135.1171.7-67.1-91.1000109.2A397 C398 L400 H403 E420 V432 I451 Y469 P471A397-Y405 CarbonylContact C-O 3.56Å; A397-Y405 WeakPolarHBondContact CA-O 3.4Å; C398-Y405 PolarHBondContact N-O 3.45Å; C398-Y405 PolarHBondContact O-N 3.41Å; L400-Y405 HydrophobicContact CB-CD2 4.15Å; L400-Y405 HydrophobicContact CB-CE2 3.99Å; H403-Y405 HydrophobicContact CB-CD2 4.27Å; H403-Y405 HydrophobicContact CB-CE2 3.61Å; Y405-E420 CarbonylContact C-O 3.57Å; Y405-E420 WeakPolarHBondContact CA-O 3.44Å; Y405-V432 HydrophobicContact CD1-CG2 4.41Å; Y405-V432 HydrophobicContact CE1-CG2 4.45Å; Y405-I451 HydrophobicContact CD1-CD1 4.2Å; Y405-I451 HydrophobicContact CD2-CD1 3.53Å; Y405-I451 HydrophobicContact CE2-CD1 4.21Å; Y405-I451 HydrophobicContact CG-CD1 3.51Å; Y405-Y469 HydrophobicContact CD1-CE1 4.05Å; Y405-Y469 AromaticContact CE1-CE1 3.77Å; Y405-Y469 HydrophobicContact CE1-CE1 3.77Å; Y405-P471 WeakPolarHBondContact OH-CB 3.5Å
406V98.7Very high95.9Very high0 Ų040.7 Ų40.70%020%0.204CC..EExtended strand (participates in β ladder)trans-122.4121.6176.4173.50000107.9L354 M388 F395 A397 V419 E420 W429L354-V406 HydrophobicContact CD1-CG2 4.27Å; M388-V406 HydrophobicContact SD-CB 4.28Å; M388-V406 HydrophobicContact SD-CG1 3.72Å; M388-V406 HydrophobicContact SD-CG2 3.87Å; F395-V406 HydrophobicContact CD2-CG1 3.58Å; F395-V406 HydrophobicContact CE2-CG1 3.65Å; F395-V406 HydrophobicContact CE2-CG2 4.38Å; F395-V406 HydrophobicContact CG-CG1 4.43Å; A397-V406 HydrophobicContact CB-CG2 4.05Å; V406-V419 WeakPolarHBondContact O-CA 2.99Å; V406-E420 PolarHBondContact N-O 3.11Å; V406-E420 PolarHBondContact O-N 3.14Å; V406-W429 HydrophobicContact CB-CZ3 4.25Å; V406-W429 HydrophobicContact CG2-CH2 3.6Å; V406-W429 HydrophobicContact CG2-CZ3 3.78Å
407I98.8Very high95.9Very high0 Ų041.2 Ų41.20%021%0.211CC..EExtended strand (participates in β ladder)trans-125.4121.3-164.4-65.9156.3000110.6F395 F396 V419 L435 H442 I451 I453 W476F395-I407 WeakPolarHBondContact CB-O 3.43Å; F396-I407 HydrophobicContact CD1-CD1 4.11Å; F396-I407 PolarHBondContact N-O 2.9Å; F396-I407 PolarHBondContact O-N 2.97Å; I407-V419 HydrophobicContact CB-CG2 4.45Å; I407-V419 HydrophobicContact CG1-CB 4.45Å; I407-V419 HydrophobicContact CG1-CG1 3.57Å; I407-V419 HydrophobicContact CG1-CG2 4.13Å; I407-V419 HydrophobicContact CG2-CG2 4.16Å; I407-L435 HydrophobicContact CG2-CD1 3.64Å; I407-L435 HydrophobicContact CG2-CD2 4.01Å; I407-L435 HydrophobicContact CG2-CG 3.84Å; I407-H442 PolarHBondContact O-CE1 2.94Å; I407-H442 VanDerWaalsContact O-CE1 3.25Å; I407-H442 PolarHBondContact O-NE2 3.29Å; I407-I451 HydrophobicContact CD1-CD1 4.38Å; I407-I451 HydrophobicContact CD1-CG2 3.59Å; I407-I453 HydrophobicContact CB-CD1 4.32Å; I407-I453 HydrophobicContact CD1-CD1 4.01Å; I407-I453 HydrophobicContact CD1-CG1 4.41Å; I407-I453 HydrophobicContact CG2-CD1 3.95Å; I407-I453 HydrophobicContact CG2-CG1 3.96Å; I407-W476 HydrophobicContact CD1-CH2 4.13Å; I407-W476 HydrophobicContact CD1-CZ2 4.45Å; I407-W476 HydrophobicContact CG1-CH2 4.47Å; I407-W476 HydrophobicContact CG1-CZ2 4.43Å; I407-W476 HydrophobicContact CG2-CH2 4.03Å; I407-W476 HydrophobicContact CG2-CZ2 4.21Å
408G98.3Very high95.9Very high0 Ų041.5 Ų41.50%021%0.213CC..  trans62.1-136.8170.600000113.9R392 L416 S418R392-G408 WeakPolarHBondContact CD-O 3.44Å; R392-G408 PolarHBondContact NH1-O 3.06Å; G408-L416 VanDerWaalsContact CA-O 3.3Å; G408-L416 WeakPolarHBondContact CA-O 3.42Å; G408-S418 PolarHBondContact N-O 3.13Å; G408-S418 VanDerWaalsContact N-O 3.14Å
409G97.5Very high95.9Very high0 Ų041 Ų410%021%0.209CC..  trans96.7-161.6-17600000112.8A393 L416 L439A393-G409 WeakPolarHBondContact O-CA 3.32Å; G409-L416 PolarHBondContact O-N 3.18Å; G409-L439 PolarHBondContact N-O 3.14Å
410R95.2Very high96Very high41 Ų4137.4 Ų37.416%0.15520%0.196CC..EExtended strand (participates in β ladder)trans-135.6157.8174.661.1171.7176.481.66.2111.5E357 K366 S368 R392 A393 G414 Y415 A440E357-R410 IonicContact OE2-CZ 3.79Å; E357-R410 IonicContact OE2-NH1 3.32Å; E357-R410 PolarHBondContact OE2-NH1 3.05Å; E357-R410 IonicContact OE2-NH2 2.8Å; E357-R410 PolarHBondContact OE2-NH2 3.44Å; K366-R410 VanDerWaalsContact CD-NH1 3.3Å; S368-R410 PolarHBondContact OG-O 2.95Å; R392-R410 WeakPolarHBondContact CA-O 3.49Å; A393-R410 PolarHBondContact N-O 3.24Å; A393-R410 PolarHBondContact O-N 3.25Å; R410-G414 WeakPolarHBondContact CA-O 3.5Å; R410-G414 WeakPolarHBondContact CB-O 3.46Å; R410-Y415 HydrophobicContact CB-CD1 4.39Å; R410-A440 HydrophobicContact CB-CB 3.97Å; R410-A440 HydrophobicContact CG-CB 4.23Å
411N94.1Very high96.1Very high17 Ų1737.1 Ų37.19%0.09120%0.195CC..EExtended strand (participates in β ladder)trans-140.3-165.316666.615.1000109.7R391 T413 G414 L416R391-N411 HydrophobicContact CB-CB 4.39Å; R391-N411 VanDerWaalsContact O-CB 3.28Å; R391-N411 WeakPolarHBondContact O-CB 3.31Å; N411-T413 PolarHBondContact O-N 3Å; N411-T413 WeakPolarHBondContact OD1-CA 3.49Å; N411-T413 WeakPolarHBondContact OD1-CB 3.45Å; N411-T413 PolarHBondContact OD1-N 3.49Å; N411-T413 PolarHBondContact OD1-OG1 2.99Å; N411-G414 PolarHBondContact N-O 3.43Å; N411-G414 PolarHBondContact O-N 3.19Å; N411-G414 PolarHBondContact OD1-N 3.3Å; N411-L416 HydrophobicContact CB-CD1 4.39Å
412E89.8Confident96.4Very high104 Ų10431.5 Ų31.549%0.48617%0.165SC..THydrogen-bonded Turntrans-64.1-21.9-179.6-60.178.8-173.500112.9H367 S368H367-E412 WeakPolarHBondContact CA-OE1 3.2Å; H367-E412 IonicContact CD2-OE1 3.5Å; S368-E412 PolarHBondContact N-OE1 3.38Å
413T90.3Very high96.6Very high125 Ų12527.6 Ų27.677%0.76715%0.149SC*.THydrogen-bonded Turntrans-87.6-18.117973.50000113.4N411N411-T413 PolarHBondContact O-N 3Å; N411-T413 WeakPolarHBondContact OD1-CA 3.49Å; N411-T413 WeakPolarHBondContact OD1-CB 3.45Å; N411-T413 PolarHBondContact OD1-N 3.49Å; N411-T413 PolarHBondContact OD1-OG1 2.99Å
414G92.6Very high96.5Very high30 Ų3025.4 Ų25.431%0.30914%0.139SC..EExtended strand (participates in β ladder)trans134.6-152.8178.200000113.7R410 N411R410-G414 WeakPolarHBondContact CA-O 3.5Å; R410-G414 WeakPolarHBondContact CB-O 3.46Å; N411-G414 PolarHBondContact N-O 3.43Å; N411-G414 PolarHBondContact O-N 3.19Å; N411-G414 PolarHBondContact OD1-N 3.3Å
415Y95.8Very high96.2Very high85 Ų8528.7 Ų28.733%0.33315%0.154SC..EExtended strand (participates in β ladder)trans-78.2142.8176.9-54.9-64.5000111R410 A440 V457R410-Y415 HydrophobicContact CB-CD1 4.39Å; Y415-A440 HydrophobicContact CD1-CB 3.61Å; Y415-A440 HydrophobicContact CE1-CB 4.01Å; Y415-V457 HydrophobicContact CE1-CB 4.48Å; Y415-V457 HydrophobicContact CE1-CG1 4.29Å; Y415-V457 WeakPolarHBondContact OH-CG1 3.47Å
416L97.8Very high96Very high14 Ų1430.9 Ų30.97%0.07317%0.169CC..  trans-108.2139-176.1-58.7171000110.7R392 G408 G409 N411 P438 L439R392-L416 HydrophobicContact CB-CD1 4.49Å; R392-L416 HydrophobicContact CG-CD1 3.71Å; G408-L416 VanDerWaalsContact CA-O 3.3Å; G408-L416 WeakPolarHBondContact CA-O 3.42Å; G409-L416 PolarHBondContact O-N 3.18Å; N411-L416 HydrophobicContact CB-CD1 4.39Å; L416-P438 WeakPolarHBondContact O-CA 3.42Å; L416-L439 PolarHBondContact O-N 3.19Å; L416-L439 VanDerWaalsContact O-N 3.1Å
417S98.1Very high95.8Very high40 Ų4032.7 Ų32.728%0.2818%0.179SC..  trans-102-16.3166.653.30000112.5S434 L435S417-S434 CarbonylContact O-C 3.59Å; S417-S434 WeakPolarHBondContact O-CA 3.45Å; S417-S434 WeakPolarHBondContact O-CB 3.4Å; S417-L435 PolarHBondContact O-N 3.23Å
418S98.6Very high95.7Very high16 Ų1638.1 Ų38.111%0.11220%0.204CC..  trans-61.9142.1-175.946.80000111.8R392 G408R392-S418 PolarHBondContact NH1-O 2.83Å; R392-S418 VanDerWaalsContact NH1-O 3.11Å; R392-S418 PolarHBondContact NH1-OG 2.77Å; R392-S418 PolarHBondContact NH2-OG 3.04Å; G408-S418 PolarHBondContact N-O 3.13Å; G408-S418 VanDerWaalsContact N-O 3.14Å
419V98.8Very high95.7Very high0 Ų039.3 Ų39.30%021%0.209CC..EExtended strand (participates in β ladder)trans-124.6130.4177.5-176.70000107.8V406 I407 V432 S433 L435 W476V406-V419 WeakPolarHBondContact O-CA 2.99Å; I407-V419 HydrophobicContact CB-CG2 4.45Å; I407-V419 HydrophobicContact CG1-CB 4.45Å; I407-V419 HydrophobicContact CG1-CG1 3.57Å; I407-V419 HydrophobicContact CG1-CG2 4.13Å; I407-V419 HydrophobicContact CG2-CG2 4.16Å; V419-V432 HydrophobicContact CB-CG2 3.78Å; V419-V432 HydrophobicContact CG1-CG2 3.4Å; V419-V432 PolarHBondContact O-N 2.82Å; V419-V432 VanDerWaalsContact O-N 3.07Å; V419-S433 WeakPolarHBondContact CG2-O 3.28Å; V419-L435 HydrophobicContact CG2-CG 4.3Å; V419-W476 HydrophobicContact CG2-CZ2 3.88Å
420E98.6Very high95.7Very high0 Ų043.4 Ų43.40%023%0.231CC..EExtended strand (participates in β ladder)trans-117.2138.2-179.9-61.2177.7-119.900109.4Q389 E390 R392 Y405 V406 W429 N430 Y431Q389-E420 VanDerWaalsContact CB-OE2 3.26Å; Q389-E420 WeakPolarHBondContact CB-OE2 3.48Å; Q389-E420 PolarHBondContact N-OE2 2.93Å; E390-E420 WeakPolarHBondContact CB-OE1 3.41Å; E390-E420 PolarHBondContact N-OE1 2.88Å; R392-E420 IonicContact CZ-OE1 3.37Å; R392-E420 VanDerWaalsContact CZ-OE1 3.32Å; R392-E420 IonicContact NE-OE1 3.53Å; R392-E420 PolarHBondContact NE-OE1 2.72Å; R392-E420 IonicContact NH2-OE1 2.68Å; R392-E420 PolarHBondContact NH2-OE1 3.03Å; Y405-E420 CarbonylContact C-O 3.57Å; Y405-E420 WeakPolarHBondContact CA-O 3.44Å; V406-E420 PolarHBondContact N-O 3.11Å; V406-E420 PolarHBondContact O-N 3.14Å; E420-W429 HydrophobicContact CB-CE3 3.69Å; E420-W429 HydrophobicContact CB-CZ3 3.88Å; E420-N430 CarbonylContact C-O 3.59Å; E420-N430 WeakPolarHBondContact CA-O 3.44Å; E420-Y431 HydrophobicContact CG-CD1 3.76Å; E420-Y431 HydrophobicContact CG-CE1 3.65Å
421S98.4Very high95.9Very high9 Ų946.8 Ų46.86%0.06324%0.244CC..EExtended strand (participates in β ladder)trans-111.6132.7168.696.60000110.5L404 W429 N430L404-S421 CarbonylContact O-C 3.53Å; L404-S421 WeakPolarHBondContact O-CA 3.3Å; S421-W429 CarbonylContact O-C 3.5Å; S421-W429 WeakPolarHBondContact O-CA 3.45Å; S421-N430 PolarHBondContact N-O 3.02Å; S421-N430 PolarHBondContact O-N 2.82Å
422Y98.1Very high96.1Very high4 Ų447.2 Ų47.22%0.01625%0.248CC..EExtended strand (participates in β ladder)trans-104.4120.5174.4-178.4-113.7000109.8P386 H403 L404 L424 N427 E428 W429P386-Y422 HydrophobicContact CG-CE2 4.49Å; H403-Y422 CarbonylContact C-O 3.55Å; H403-Y422 VanDerWaalsContact CA-O 3.22Å; H403-Y422 WeakPolarHBondContact CA-O 3.47Å; L404-Y422 HydrophobicContact CD1-CD1 4.11Å; L404-Y422 HydrophobicContact CG-CD1 4.32Å; L404-Y422 PolarHBondContact N-O 2.86Å; L404-Y422 PolarHBondContact O-N 2.98Å; Y422-L424 HydrophobicContact CD1-CD2 3.96Å; Y422-L424 HydrophobicContact CD1-CG 4.47Å; Y422-L424 HydrophobicContact CE1-CD2 4.01Å; Y422-L424 PolarHBondContact O-N 3.18Å; Y422-N427 WeakPolarHBondContact OH-CA 3.47Å; Y422-N427 PolarHBondContact OH-OD1 3.14Å; Y422-E428 WeakPolarHBondContact CA-O 3.38Å; Y422-E428 WeakPolarHBondContact CD2-O 3.39Å; Y422-W429 AromaticContact CD2-CD1 3.66Å; Y422-W429 AromaticContact CD2-CD2 3.7Å; Y422-W429 HydrophobicContact CD2-CD2 3.7Å; Y422-W429 AromaticContact CD2-CE2 3.45Å; Y422-W429 VanDerWaalsContact CD2-CE2 3.45Å; Y422-W429 HydrophobicContact CD2-CE3 4.42Å; Y422-W429 AromaticContact CD2-CG 3.81Å; Y422-W429 HydrophobicContact CD2-CG 3.81Å; Y422-W429 AromaticContact CD2-CZ2 3.99Å; Y422-W429 HydrophobicContact CD2-CZ2 3.99Å; Y422-W429 AromaticContact CD2-NE1 3.42Å; Y422-W429 AromaticContact CE2-NE1 3.79Å; Y422-W429 HydrophobicContact CG-CD2 4.15Å; Y422-W429 AromaticContact CG-CE2 3.86Å; Y422-W429 HydrophobicContact CG-CE3 4.48Å; Y422-W429 HydrophobicContact CG-CH2 4.33Å; Y422-W429 AromaticContact CG-CZ2 3.94Å; Y422-W429 HydrophobicContact CG-CZ2 3.94Å
423N96.3Very high96.5Very high27 Ų2744.2 Ų44.214%0.14424%0.238CC..EExtended strand (participates in β ladder)trans-81114.7174.3-173.7-53.5000109.7H403 E425 T426 N427 E428H403-N423 PolarHBondContact NE2-ND2 3.3Å; N423-E425 PolarHBondContact O-N 2.89Å; N423-E425 WeakPolarHBondContact OD1-CA 3.47Å; N423-E425 WeakPolarHBondContact OD1-CB 3.37Å; N423-E425 PolarHBondContact OD1-N 3.3Å; N423-T426 WeakPolarHBondContact CB-OG1 3.26Å; N423-T426 PolarHBondContact OD1-N 3.01Å; N423-N427 WeakPolarHBondContact O-CA 3.45Å; N423-N427 PolarHBondContact O-N 3.05Å; N423-E428 PolarHBondContact N-O 3.45Å
424L93.9Very high96.9Very high4 Ų441.2 Ų41.22%0.02122%0.223CC..THydrogen-bonded Turntrans-64.9-24.2-177.4-77.1174.3000113.1H285 V347 L352 R399 K402 L404 Y422H285-L424 PolarHBondContact CE1-O 3.25Å; H285-L424 VanDerWaalsContact NE2-CB 3.28Å; H285-L424 WeakPolarHBondContact NE2-CB 3.49Å; H285-L424 PolarHBondContact NE2-O 3.27Å; V347-L424 HydrophobicContact CG1-CD1 3.77Å; V347-L424 HydrophobicContact CG1-CD2 4.28Å; V347-L424 HydrophobicContact CG2-CD1 4.41Å; V347-L424 HydrophobicContact CG2-CD2 4.42Å; L352-L424 HydrophobicContact CD2-CD2 4.32Å; R399-L424 HydrophobicContact CG-CD1 4.48Å; K402-L424 VanDerWaalsContact O-CB 3.25Å; K402-L424 WeakPolarHBondContact O-CB 3.45Å; K402-L424 PolarHBondContact O-N 3.1Å; L404-L424 HydrophobicContact CD1-CD2 4.3Å; L404-L424 HydrophobicContact CD2-CD1 4.41Å; L404-L424 HydrophobicContact CD2-CD2 4.43Å; L404-L424 HydrophobicContact CG-CD2 4.02Å; L404-L424 HydrophobicContact CG-CG 4.36Å; Y422-L424 HydrophobicContact CD1-CD2 3.96Å; Y422-L424 HydrophobicContact CD1-CG 4.47Å; Y422-L424 HydrophobicContact CE1-CD2 4.01Å; Y422-L424 PolarHBondContact O-N 3.18Å
425E92.4Very high97.2Very high70 Ų7040 Ų4033%0.32721%0.209SC..THydrogen-bonded Turntrans-88.9-44.6179.3-63.6-177.3158.100112.6R283 K402 N423R283-E425 PolarHBondContact NE-O 3.36Å; R283-E425 PolarHBondContact NH2-O 2.78Å; K402-E425 HydrophobicContact CD-CG 4.44Å; K402-E425 WeakPolarHBondContact CD-OE1 3.42Å; K402-E425 WeakPolarHBondContact CE-OE1 3.3Å; K402-E425 VanDerWaalsContact NZ-CD 3.25Å; K402-E425 IonicContact NZ-OE1 2.69Å; K402-E425 PolarHBondContact NZ-OE1 3.4Å; K402-E425 IonicContact NZ-OE2 3.08Å; K402-E425 PolarHBondContact NZ-OE2 3.11Å; K402-E425 VanDerWaalsContact NZ-OE2 3.08Å; N423-E425 PolarHBondContact O-N 2.89Å; N423-E425 WeakPolarHBondContact OD1-CA 3.47Å; N423-E425 WeakPolarHBondContact OD1-CB 3.37Å; N423-E425 PolarHBondContact OD1-N 3.3Å
426T94.2Very high97.3Very high62 Ų6239 Ų3938%0.3821%0.213SC..THydrogen-bonded Turntrans-85.9-16.7-178.272.60000113.1N423 E428N423-T426 WeakPolarHBondContact CB-OG1 3.26Å; N423-T426 PolarHBondContact OD1-N 3.01Å; T426-E428 PolarHBondContact OG1-OE2 2.77Å; T426-E428 VanDerWaalsContact OG1-OE2 3.09Å
427N94.3Very high97.2Very high39 Ų3942.2 Ų42.221%0.20923%0.227CC..THydrogen-bonded Turntrans65.142.6179.3-168.487.1000111.5F282 P386 Y422 N423F282-N427 HydrophobicContact CD2-CB 3.59Å; F282-N427 WeakPolarHBondContact CD2-OD1 3.49Å; F282-N427 HydrophobicContact CE2-CB 3.6Å; P386-N427 WeakPolarHBondContact CD-ND2 3.45Å; P386-N427 WeakPolarHBondContact CG-ND2 3.32Å; Y422-N427 WeakPolarHBondContact OH-CA 3.47Å; Y422-N427 PolarHBondContact OH-OD1 3.14Å; N423-N427 WeakPolarHBondContact O-CA 3.45Å; N423-N427 PolarHBondContact O-N 3.05Å
428E96.3Very high97.2Very high113 Ų11342.2 Ų42.253%0.52823%0.226SC..EExtended strand (participates in β ladder)trans-134145.6-174.8-67172.2148.500111.7Y422 N423 T426Y422-E428 WeakPolarHBondContact CA-O 3.38Å; Y422-E428 WeakPolarHBondContact CD2-O 3.39Å; N423-E428 PolarHBondContact N-O 3.45Å; T426-E428 PolarHBondContact OG1-OE2 2.77Å; T426-E428 VanDerWaalsContact OG1-OE2 3.09Å
429W98.5Very high97.2Very high25 Ų2541.5 Ų41.510%0.09522%0.221CC..EExtended strand (participates in β ladder)trans-97.4139.2173.5-72.498.7000110.7L354 V372 P386 P387 M388 Q389 V406 E420 S421 Y422L354-W429 HydrophobicContact CD2-CH2 4.47Å; L354-W429 HydrophobicContact CD2-CZ2 4.44Å; V372-W429 HydrophobicContact CG2-CZ2 3.93Å; P386-W429 PolarHBondContact O-NE1 2.74Å; P387-W429 PolarHBondContact O-NE1 3.02Å; M388-W429 HydrophobicContact CG-CH2 3.75Å; M388-W429 HydrophobicContact CG-CZ2 3.61Å; M388-W429 HydrophobicContact CG-CZ3 4.34Å; M388-W429 HydrophobicContact SD-CH2 4.4Å; Q389-W429 HydrophobicContact CG-CB 4.17Å; V406-W429 HydrophobicContact CB-CZ3 4.25Å; V406-W429 HydrophobicContact CG2-CH2 3.6Å; V406-W429 HydrophobicContact CG2-CZ3 3.78Å; E420-W429 HydrophobicContact CB-CE3 3.69Å; E420-W429 HydrophobicContact CB-CZ3 3.88Å; S421-W429 CarbonylContact O-C 3.5Å; S421-W429 WeakPolarHBondContact O-CA 3.45Å; Y422-W429 AromaticContact CD2-CD1 3.66Å; Y422-W429 AromaticContact CD2-CD2 3.7Å; Y422-W429 HydrophobicContact CD2-CD2 3.7Å; Y422-W429 AromaticContact CD2-CE2 3.45Å; Y422-W429 VanDerWaalsContact CD2-CE2 3.45Å; Y422-W429 HydrophobicContact CD2-CE3 4.42Å; Y422-W429 AromaticContact CD2-CG 3.81Å; Y422-W429 HydrophobicContact CD2-CG 3.81Å; Y422-W429 AromaticContact CD2-CZ2 3.99Å; Y422-W429 HydrophobicContact CD2-CZ2 3.99Å; Y422-W429 AromaticContact CD2-NE1 3.42Å; Y422-W429 AromaticContact CE2-NE1 3.79Å; Y422-W429 HydrophobicContact CG-CD2 4.15Å; Y422-W429 AromaticContact CG-CE2 3.86Å; Y422-W429 HydrophobicContact CG-CE3 4.48Å; Y422-W429 HydrophobicContact CG-CH2 4.33Å; Y422-W429 AromaticContact CG-CZ2 3.94Å; Y422-W429 HydrophobicContact CG-CZ2 3.94Å
430N98.2Very high97.1Very high86 Ų8641.6 Ų41.646%0.4622%0.222SC..EExtended strand (participates in β ladder)trans-134.6148.4173.4-68.2-72.5000109.9E420 S421E420-N430 CarbonylContact C-O 3.59Å; E420-N430 WeakPolarHBondContact CA-O 3.44Å; S421-N430 PolarHBondContact N-O 3.02Å; S421-N430 PolarHBondContact O-N 2.82Å
431Y98.6Very high97Very high112 Ų11242.4 Ų42.444%0.43923%0.229SC..EExtended strand (participates in β ladder)trans-78.4143.5167.5-69.2-72.9000110.4Q389 E420Q389-Y431 HydrophobicContact CB-CE2 4.31Å; Q389-Y431 VanDerWaalsContact CB-OH 3.28Å; Q389-Y431 WeakPolarHBondContact CB-OH 3.49Å; Q389-Y431 VanDerWaalsContact CD-CE2 3.42Å; Q389-Y431 HydrophobicContact CG-CE2 4.49Å; E420-Y431 HydrophobicContact CG-CD1 3.76Å; E420-Y431 HydrophobicContact CG-CE1 3.65Å
432V98.6Very high97Very high27 Ų2742.5 Ų42.516%0.16423%0.228CC..EExtended strand (participates in β ladder)trans-123.4-176.2170.4-59.80000108.9Y405 V419 S434 Y469Y405-V432 HydrophobicContact CD1-CG2 4.41Å; Y405-V432 HydrophobicContact CE1-CG2 4.45Å; V419-V432 HydrophobicContact CB-CG2 3.78Å; V419-V432 HydrophobicContact CG1-CG2 3.4Å; V419-V432 PolarHBondContact O-N 2.82Å; V419-V432 VanDerWaalsContact O-N 3.07Å; V432-S434 PolarHBondContact O-N 2.94Å; V432-S434 VanDerWaalsContact O-N 3.16Å; V432-Y469 WeakPolarHBondContact CB-OH 3.42Å
433S98.6Very high97Very high41 Ų4142.6 Ų42.629%0.28723%0.23SC..PPolyproline II helixtrans-52.2124.8-179.7-82.10000112.2V419 D474 W476V419-S433 WeakPolarHBondContact CG2-O 3.28Å; S433-D474 WeakPolarHBondContact CA-OD1 3.3Å; S433-D474 VanDerWaalsContact CB-O 3.27Å; S433-D474 WeakPolarHBondContact CB-O 3.22Å; S433-D474 WeakPolarHBondContact CB-OD1 3.27Å; S433-D474 PolarHBondContact N-OD1 2.83Å; S433-D474 PolarHBondContact OG-O 3Å; S433-D474 PolarHBondContact OG-OD1 2.74Å; S433-W476 PolarHBondContact O-NE1 3.06Å
434S98.6Very high97.1Very high62 Ų6241.6 Ų41.643%0.43423%0.226SC..PPolyproline II helixtrans-69153178.8-62.10000111.5S417 V432 W476S417-S434 CarbonylContact O-C 3.59Å; S417-S434 WeakPolarHBondContact O-CA 3.45Å; S417-S434 WeakPolarHBondContact O-CB 3.4Å; V432-S434 PolarHBondContact O-N 2.94Å; V432-S434 VanDerWaalsContact O-N 3.16Å; S434-W476 PolarHBondContact O-NE1 3.4Å
435L98.3Very high97.3Very high5 Ų541.8 Ų41.83%0.02623%0.228CC..PPolyproline II helixtrans-52.9142.9168.4-77.9168.3000110.4I407 S417 V419 Q437 L439 Y467 W476I407-L435 HydrophobicContact CG2-CD1 3.64Å; I407-L435 HydrophobicContact CG2-CD2 4.01Å; I407-L435 HydrophobicContact CG2-CG 3.84Å; S417-L435 PolarHBondContact O-N 3.23Å; V419-L435 HydrophobicContact CG2-CG 4.3Å; L435-Q437 WeakPolarHBondContact CB-O 3.42Å; L435-Q437 PolarHBondContact O-N 3.19Å; L435-Q437 VanDerWaalsContact O-N 3.13Å; L435-L439 HydrophobicContact CD1-CB 4.24Å; L435-Y467 HydrophobicContact CD2-CD2 4.46Å; L435-W476 HydrophobicContact CD2-CD2 4.13Å; L435-W476 HydrophobicContact CD2-CE3 4.03Å; L435-W476 HydrophobicContact CD2-CH2 3.49Å; L435-W476 VanDerWaalsContact CD2-CH2 3.49Å; L435-W476 HydrophobicContact CD2-CZ2 3.63Å; L435-W476 HydrophobicContact CD2-CZ3 3.69Å; L435-W476 HydrophobicContact CG-CH2 4.39Å; L435-W476 HydrophobicContact CG-CZ2 4.13Å
436P97.5Very high97.6Very high63 Ų6340.8 Ų40.841%0.40923%0.226SC..SBendtrans-59-27176.9-27.536.3000114.2Y467 W476P436-Y467 HydrophobicContact CB-CE1 4Å; P436-Y467 HydrophobicContact CG-CD1 4.02Å; P436-Y467 HydrophobicContact CG-CE1 3.72Å; P436-W476 HydrophobicContact CG-CB 3.84Å; P436-W476 HydrophobicContact CG-CG 4.37Å
437Q97.5Very high97.7Very high81 Ų8138.6 Ų38.638%0.37921%0.212SC..SBendtrans-140.2140.9177-67.2-63-33.500109.8L435 H458 W465L435-Q437 WeakPolarHBondContact CB-O 3.42Å; L435-Q437 PolarHBondContact O-N 3.19Å; L435-Q437 VanDerWaalsContact O-N 3.13Å; Q437-H458 PolarHBondContact OE1-CE1 2.83Å; Q437-W465 HydrophobicContact CB-CH2 4.19Å; Q437-W465 HydrophobicContact CB-CZ3 3.64Å; Q437-W465 HydrophobicContact CG-CH2 4.07Å; Q437-W465 HydrophobicContact CG-CZ3 3.95Å
438P97.6Very high97.8Very high40 Ų4041.9 Ų41.926%0.2623%0.23SC..  trans-61137.7174.1-21.432000112.3L416 H458L416-P438 WeakPolarHBondContact O-CA 3.42Å; P438-H458 PolarHBondContact O-ND1 3.49Å
439L97.4Very high97.8Very high1 Ų138.3 Ų38.31%0.00522%0.223CC..  trans-153.5135.4-168.5-16770.5000112.2G409 L416 L435 H442 I453 G455 H458 V463G409-L439 PolarHBondContact N-O 3.14Å; L416-L439 PolarHBondContact O-N 3.19Å; L416-L439 VanDerWaalsContact O-N 3.1Å; L435-L439 HydrophobicContact CD1-CB 4.24Å; L439-H442 HydrophobicContact CD2-CB 3.56Å; L439-H442 HydrophobicContact CG-CB 3.91Å; L439-H442 PolarHBondContact O-CE1 2.9Å; L439-H442 PolarHBondContact O-ND1 3.18Å; L439-I453 HydrophobicContact CD2-CG2 3.82Å; L439-G455 WeakPolarHBondContact CD1-O 3.43Å; L439-G455 WeakPolarHBondContact CD2-O 3.29Å; L439-H458 HydrophobicContact CD1-CB 4.21Å; L439-V463 HydrophobicContact CD1-CG2 3.78Å
440A97.4Very high97.8Very high3 Ų340.5 Ų40.53%0.02523%0.233CC..BIsolated β-bridgetrans-130168.7170.600000111.6R410 Y415 H442 G456 V457R410-A440 HydrophobicContact CB-CB 3.97Å; R410-A440 HydrophobicContact CG-CB 4.23Å; Y415-A440 HydrophobicContact CD1-CB 3.61Å; Y415-A440 HydrophobicContact CE1-CB 4.01Å; A440-H442 PolarHBondContact O-N 2.99Å; A440-G456 CarbonylContact O-C 3.54Å; A440-G456 WeakPolarHBondContact O-CA 3.5Å; A440-V457 PolarHBondContact N-O 3.23Å; A440-V457 PolarHBondContact O-N 2.67Å
441A97.3Very high97.8Very high16 Ų1636.4 Ų36.413%0.13221%0.211CC..SBendtrans54.225.4179.900000113.3S394 G456 V457 A487 I488S394-A441 PolarHBondContact O-N 3.15Å; A441-G456 WeakPolarHBondContact O-CA 3.49Å; A441-V457 HydrophobicContact CB-CG2 4.39Å; A441-A487 HydrophobicContact CB-CB 4.2Å; A441-I488 HydrophobicContact CB-CG1 3.81Å; A441-I488 PolarHBondContact O-N 2.97Å
442H98.3Very high97.8Very high11 Ų1131.7 Ų31.75%0.05119%0.193CC..  trans-85.6167173.158.8-96.1000109.7F396 I407 L439 A440 I453 S454 G455F396-H442 WeakPolarHBondContact CB-NE2 3.35Å; F396-H442 PolarHBondContact N-NE2 3.24Å; I407-H442 PolarHBondContact O-CE1 2.94Å; I407-H442 VanDerWaalsContact O-CE1 3.25Å; I407-H442 PolarHBondContact O-NE2 3.29Å; L439-H442 HydrophobicContact CD2-CB 3.56Å; L439-H442 HydrophobicContact CG-CB 3.91Å; L439-H442 PolarHBondContact O-CE1 2.9Å; L439-H442 PolarHBondContact O-ND1 3.18Å; A440-H442 PolarHBondContact O-N 2.99Å; H442-I453 HydrophobicContact CB-CG2 3.94Å; H442-I453 WeakPolarHBondContact CD2-CG2 3.37Å; H442-S454 WeakPolarHBondContact CB-O 3.47Å; H442-G455 WeakPolarHBondContact CB-O 3.3Å
443A98.3Very high97.8Very high7 Ų730.4 Ų30.46%0.05819%0.185CC..EExtended strand (participates in β ladder)trans-122144.2176.100000110.2S454 H489 L491A443-S454 PolarHBondContact N-O 3.02Å; A443-S454 PolarHBondContact O-N 2.83Å; A443-S454 PolarHBondContact O-OG 2.81Å; A443-S454 VanDerWaalsContact O-OG 3.1Å; A443-H489 WeakPolarHBondContact CB-NE2 3.49Å; A443-H489 VanDerWaalsContact CB-O 3.31Å; A443-H489 WeakPolarHBondContact CB-O 3.49Å; A443-L491 HydrophobicContact CB-CB 3.76Å
444G98.1Very high97.8Very high6 Ų628.4 Ų28.46%0.06217%0.171CC..EExtended strand (participates in β ladder)trans-130.8164.3-179.800000114.1F396 Y452F396-G444 VanDerWaalsContact CD2-CA 3.48Å; F396-G444 VanDerWaalsContact CE2-CA 3.45Å; F396-G444 WeakPolarHBondContact CE2-O 3.26Å; F396-G444 VanDerWaalsContact CZ-O 3.3Å; F396-G444 WeakPolarHBondContact CZ-O 3.32Å; G444-Y452 CarbonylContact C-O 3.45Å; G444-Y452 WeakPolarHBondContact CA-O 3.46Å
445A98.1Very high97.8Very high7 Ų725.5 Ų25.56%0.05815%0.151CC..EExtended strand (participates in β ladder)trans-152.6152.1176.500000110.4Y452 L491 L498A445-Y452 PolarHBondContact N-O 3.07Å; A445-Y452 PolarHBondContact O-N 3.38Å; A445-L491 HydrophobicContact CB-CB 4.4Å; A445-L491 HydrophobicContact CB-CD2 3.87Å; A445-L491 HydrophobicContact CB-CG 3.87Å; A445-L498 HydrophobicContact CB-CD2 3.71Å
446V97.6Very high97.8Very high49 Ų4925.2 Ų25.230%0.29715%0.149SC..EExtended strand (participates in β ladder)trans-97133.3172.5-1790000108.8C398 L400 K450 I451C398-V446 HydrophobicContact CB-CG2 3.55Å; C398-V446 VanDerWaalsContact SG-CG2 3.54Å; L400-V446 HydrophobicContact CD1-CG1 3.89Å; V446-K450 WeakPolarHBondContact CA-O 3.23Å; V446-I451 HydrophobicContact CG2-CG1 4.37Å
447H97Very high97.7Very high16 Ų1623.1 Ų23.17%0.07414%0.135CC..EExtended strand (participates in β ladder)trans-149.9129.4175.5174.485.5000110.5G449 K450 Y452 D496 L498H447-G449 VanDerWaalsContact C-N 3.29Å; H447-G449 PolarHBondContact O-N 2.84Å; H447-K450 PolarHBondContact N-O 3.41Å; H447-K450 PolarHBondContact O-N 2.88Å; H447-Y452 HydrophobicContact CB-CD2 4.18Å; H447-Y452 HydrophobicContact CB-CE2 3.92Å; H447-D496 VanDerWaalsContact CE1-C 3.47Å; H447-D496 PolarHBondContact CE1-O 3.4Å; H447-D496 VanDerWaalsContact CE1-O 3.28Å; H447-D496 IonicContact CE1-OD1 2.74Å; H447-D496 PolarHBondContact CE1-OD1 3.35Å; H447-D496 VanDerWaalsContact CE1-OD1 3.23Å; H447-L498 HydrophobicContact CB-CD2 3.86Å
448N95.4Very high97.6Very high109 Ų10920.6 Ų20.658%0.58312%0.123SC*.THydrogen-bonded Turntrans46.248.7177.7-74-27000114.1K450 D496N448-K450 VanDerWaalsContact C-N 3.27Å; N448-K450 PolarHBondContact O-N 3.3Å; N448-D496 PolarHBondContact ND2-OD1 3.34Å
449G96.5Very high97.3Very high38 Ų3824.5 Ų24.539%0.39214%0.142SC..THydrogen-bonded Turntrans74.511.2177.500000115L400 H447 P471L400-G449 WeakPolarHBondContact CD2-O 3.48Å; H447-G449 VanDerWaalsContact C-N 3.29Å; H447-G449 PolarHBondContact O-N 2.84Å; G449-P471 WeakPolarHBondContact O-CD 3.38Å; G449-P471 WeakPolarHBondContact O-CG 3.42Å
450K98.1Very high96.8Very high70 Ų7026.3 Ų26.330%0.30416%0.161SC..EExtended strand (participates in β ladder)trans-125.6155.8179.8-60.1-168.4179.6-149.50111.4V446 H447 N448 Y452 Y469 D470V446-K450 WeakPolarHBondContact CA-O 3.23Å; H447-K450 PolarHBondContact N-O 3.41Å; H447-K450 PolarHBondContact O-N 2.88Å; N448-K450 VanDerWaalsContact C-N 3.27Å; N448-K450 PolarHBondContact O-N 3.3Å; K450-Y452 HydrophobicContact CB-CE2 3.88Å; K450-Y469 WeakPolarHBondContact CA-O 3.27Å; K450-Y469 WeakPolarHBondContact CB-O 3.44Å; K450-D470 WeakPolarHBondContact CE-OD2 3.49Å; K450-D470 IonicContact NZ-OD2 2.68Å; K450-D470 PolarHBondContact NZ-OD2 3.12Å
451I98.8Very high96.6Very high0 Ų031.7 Ų31.70%019%0.186CC..EExtended strand (participates in β ladder)trans-108.6126.1179.8-56171.3000108.9F396 C398 L400 Y405 I407 V446 I453 C468 Y469F396-I451 HydrophobicContact CD1-CG2 4.37Å; F396-I451 HydrophobicContact CE1-CG2 3.83Å; C398-I451 VanDerWaalsContact SG-CD1 3.56Å; L400-I451 HydrophobicContact CD2-CD1 4.24Å; L400-I451 HydrophobicContact CD2-CG1 3.98Å; Y405-I451 HydrophobicContact CD1-CD1 4.2Å; Y405-I451 HydrophobicContact CD2-CD1 3.53Å; Y405-I451 HydrophobicContact CE2-CD1 4.21Å; Y405-I451 HydrophobicContact CG-CD1 3.51Å; I407-I451 HydrophobicContact CD1-CD1 4.38Å; I407-I451 HydrophobicContact CD1-CG2 3.59Å; V446-I451 HydrophobicContact CG2-CG1 4.37Å; I451-I453 HydrophobicContact CG2-CD1 4.4Å; I451-C468 CarbonylContact O-C 3.55Å; I451-C468 WeakPolarHBondContact O-CA 3.33Å; I451-Y469 HydrophobicContact CB-CD1 4.45Å; I451-Y469 HydrophobicContact CD1-CD1 4.06Å; I451-Y469 PolarHBondContact N-O 3.4Å; I451-Y469 VanDerWaalsContact N-O 3.07Å; I451-Y469 PolarHBondContact O-N 3.42Å
452Y98.8Very high96.5Very high13 Ų1332.1 Ų32.15%0.05118%0.184CC..EExtended strand (participates in β ladder)trans-108.5137.2179.1-67.7-101.5000109.7G444 A445 H447 K450 L466 Y467 C468 L498 Y520G444-Y452 CarbonylContact C-O 3.45Å; G444-Y452 WeakPolarHBondContact CA-O 3.46Å; A445-Y452 PolarHBondContact N-O 3.07Å; A445-Y452 PolarHBondContact O-N 3.38Å; H447-Y452 HydrophobicContact CB-CD2 4.18Å; H447-Y452 HydrophobicContact CB-CE2 3.92Å; K450-Y452 HydrophobicContact CB-CE2 3.88Å; Y452-L466 HydrophobicContact CD1-CD1 4.34Å; Y452-Y467 CarbonylContact C-O 3.59Å; Y452-Y467 VanDerWaalsContact CA-O 3.28Å; Y452-Y467 WeakPolarHBondContact CA-O 3.23Å; Y452-C468 HydrophobicContact CD1-CB 3.92Å; Y452-C468 HydrophobicContact CE1-CB 3.78Å; Y452-C468 VanDerWaalsContact CZ-SG 3.57Å; Y452-L498 HydrophobicContact CD1-CD1 3.86Å; Y452-L498 HydrophobicContact CD2-CD1 3.9Å; Y452-L498 HydrophobicContact CE1-CD1 4.47Å; Y452-L498 HydrophobicContact CG-CD1 3.53Å; Y452-Y520 HydrophobicContact CD1-CE1 4.33Å; Y452-Y520 AromaticContact CE1-CE1 3.95Å; Y452-Y520 HydrophobicContact CE1-CE1 3.95Å
453I98.7Very high96.5Very high0 Ų032.2 Ų32.20%019%0.185CC..EExtended strand (participates in β ladder)trans-125.7125.2176.7-59.6-62.8000108.8F396 I407 L439 H442 I451 L466 Y467 W476F396-I453 HydrophobicContact CB-CD1 3.94Å; F396-I453 HydrophobicContact CD1-CD1 3.43Å; F396-I453 VanDerWaalsContact CD1-CD1 3.43Å; F396-I453 HydrophobicContact CE1-CD1 4.2Å; F396-I453 HydrophobicContact CG-CD1 3.9Å; I407-I453 HydrophobicContact CB-CD1 4.32Å; I407-I453 HydrophobicContact CD1-CD1 4.01Å; I407-I453 HydrophobicContact CD1-CG1 4.41Å; I407-I453 HydrophobicContact CG2-CD1 3.95Å; I407-I453 HydrophobicContact CG2-CG1 3.96Å; L439-I453 HydrophobicContact CD2-CG2 3.82Å; H442-I453 HydrophobicContact CB-CG2 3.94Å; H442-I453 WeakPolarHBondContact CD2-CG2 3.37Å; I451-I453 HydrophobicContact CG2-CD1 4.4Å; I453-L466 CarbonylContact O-C 3.52Å; I453-L466 WeakPolarHBondContact O-CA 3.44Å; I453-Y467 PolarHBondContact N-O 3.47Å; I453-Y467 PolarHBondContact O-N 3.21Å; I453-W476 HydrophobicContact CB-CZ3 4.38Å; I453-W476 HydrophobicContact CG1-CH2 3.7Å; I453-W476 HydrophobicContact CG1-CZ3 3.84Å
454S98.6Very high96.5Very high0 Ų033.3 Ų33.30%019%0.193CC..EExtended strand (participates in β ladder)trans-122.9143.3-175.666.80000112.1H442 A443 W465 H489H442-S454 WeakPolarHBondContact CB-O 3.47Å; A443-S454 PolarHBondContact N-O 3.02Å; A443-S454 PolarHBondContact O-N 2.83Å; A443-S454 PolarHBondContact O-OG 2.81Å; A443-S454 VanDerWaalsContact O-OG 3.1Å; S454-W465 CarbonylContact C-O 3.53Å; S454-W465 VanDerWaalsContact CA-O 3.26Å; S454-W465 WeakPolarHBondContact CA-O 3.31Å; S454-H489 PolarHBondContact O-CE1 3.18Å; S454-H489 PolarHBondContact O-NE2 3.47Å; S454-H489 PolarHBondContact OG-NE2 2.84Å
455G98.3Very high96.5Very high0 Ų035.6 Ų35.60%020%0.199CC..  trans59.5-147.2170.100000114.3L439 H442 V463 W465 M482 R486L439-G455 WeakPolarHBondContact CD1-O 3.43Å; L439-G455 WeakPolarHBondContact CD2-O 3.29Å; H442-G455 WeakPolarHBondContact CB-O 3.3Å; G455-V463 VanDerWaalsContact CA-O 3.3Å; G455-V463 WeakPolarHBondContact CA-O 3.3Å; G455-V463 WeakPolarHBondContact O-CG2 3.36Å; G455-W465 PolarHBondContact N-O 2.84Å; G455-M482 VanDerWaalsContact CA-CE 3.47Å; G455-R486 WeakPolarHBondContact CA-O 3.34Å
456G97.8Very high96.5Very high0 Ų035.2 Ų35.20%020%0.197CC..  trans98.3-164.6-179.300000113.8A440 A441 Y462 V463 R486A440-G456 CarbonylContact O-C 3.54Å; A440-G456 WeakPolarHBondContact O-CA 3.5Å; A441-G456 WeakPolarHBondContact O-CA 3.49Å; G456-Y462 WeakPolarHBondContact O-CA 3.45Å; G456-V463 PolarHBondContact O-N 3.11Å; G456-R486 PolarHBondContact N-O 3.22Å
457V96.7Very high96.6Very high19 Ų1933.7 Ų33.712%0.11519%0.185CC..EExtended strand (participates in β ladder)trans-120.2128.8-176.7-174.70000110Y415 A440 A441 E461 Y462 A487Y415-V457 HydrophobicContact CE1-CB 4.48Å; Y415-V457 HydrophobicContact CE1-CG1 4.29Å; Y415-V457 WeakPolarHBondContact OH-CG1 3.47Å; A440-V457 PolarHBondContact N-O 3.23Å; A440-V457 PolarHBondContact O-N 2.67Å; A441-V457 HydrophobicContact CB-CG2 4.39Å; V457-E461 CarbonylContact C-O 3.56Å; V457-E461 WeakPolarHBondContact CA-O 3.45Å; V457-Y462 HydrophobicContact CG2-CE2 4.48Å; V457-A487 HydrophobicContact CG2-CB 3.64Å
458H94.4Very high96.7Very high27 Ų2733.1 Ų33.113%0.12518%0.184CC..EExtended strand (participates in β ladder)trans-130.3123175.7172.277.7000108.9Q437 P438 L439 G460 E461 V463 W465Q437-H458 PolarHBondContact OE1-CE1 2.83Å; P438-H458 PolarHBondContact O-ND1 3.49Å; L439-H458 HydrophobicContact CD1-CB 4.21Å; H458-G460 PolarHBondContact O-N 3.08Å; H458-G460 VanDerWaalsContact O-N 3.15Å; H458-E461 PolarHBondContact N-O 2.8Å; H458-E461 PolarHBondContact O-N 2.76Å; H458-V463 HydrophobicContact CB-CG1 4.07Å; H458-W465 HydrophobicContact CB-CH2 4.14Å; H458-W465 HydrophobicContact CB-CZ3 4Å; H458-W465 AromaticContact CD2-CH2 3.65Å; H458-W465 AromaticContact CG-CH2 3.77Å; H458-W465 AromaticContact CG-CZ3 3.9Å
459N91.1Very high96.8Very high123 Ų12328 Ų2866%0.65816%0.156SC*.THydrogen-bonded Turntrans50.438.2-179.2-66.7-17.6000113.8E461N459-E461 PolarHBondContact O-N 2.78Å
460G88.2Confident96.9Very high39 Ų3927.2 Ų27.240%0.40214%0.143SC..THydrogen-bonded Turntrans81.9-9.3-178.200000115.2H458H458-G460 PolarHBondContact O-N 3.08Å; H458-G460 VanDerWaalsContact O-N 3.15Å
461E93Very high96.8Very high116 Ų11625.2 Ų25.254%0.54214%0.137SC..EExtended strand (participates in β ladder)trans-99.4143.9-179.9-72.6-61.7142.800112.4V457 H458 N459V457-E461 CarbonylContact C-O 3.56Å; V457-E461 WeakPolarHBondContact CA-O 3.45Å; H458-E461 PolarHBondContact N-O 2.8Å; H458-E461 PolarHBondContact O-N 2.76Å; N459-E461 PolarHBondContact O-N 2.78Å
462Y95.8Very high96.7Very high25 Ų2531.5 Ų31.510%0.09818%0.175CC..EExtended strand (participates in β ladder)trans-80134.4174.6-72-115000108.9G456 V457 K485 A487 N504 H505 L506 H511G456-Y462 WeakPolarHBondContact O-CA 3.45Å; V457-Y462 HydrophobicContact CG2-CE2 4.48Å; Y462-K485 WeakPolarHBondContact O-CD 3.38Å; Y462-A487 HydrophobicContact CD1-CB 3.58Å; Y462-A487 HydrophobicContact CE1-CB 3.48Å; Y462-A487 VanDerWaalsContact CE1-CB 3.48Å; Y462-N504 WeakPolarHBondContact CD1-O 3.39Å; Y462-N504 VanDerWaalsContact CE1-O 3.23Å; Y462-N504 WeakPolarHBondContact CE1-O 3.27Å; Y462-H505 HydrophobicContact CD1-CB 4.23Å; Y462-L506 HydrophobicContact CD2-CB 4.46Å; Y462-L506 HydrophobicContact CD2-CD1 3.98Å; Y462-L506 HydrophobicContact CD2-CG 4.04Å; Y462-L506 HydrophobicContact CE2-CB 4.38Å; Y462-L506 HydrophobicContact CE2-CD1 3.52Å; Y462-L506 HydrophobicContact CE2-CG 3.52Å; Y462-H511 PolarHBondContact OH-CE1 3.1Å; Y462-H511 VanDerWaalsContact OH-CE1 3.27Å; Y462-H511 PolarHBondContact OH-ND1 3.4Å
463V97.5Very high96.7Very high12 Ų1236.8 Ų36.87%0.07320%0.201CC..  trans-117.1157-178.8-61.60000111.5L439 G455 G456 H458 W465 R486L439-V463 HydrophobicContact CD1-CG2 3.78Å; G455-V463 VanDerWaalsContact CA-O 3.3Å; G455-V463 WeakPolarHBondContact CA-O 3.3Å; G455-V463 WeakPolarHBondContact O-CG2 3.36Å; G456-V463 PolarHBondContact O-N 3.11Å; H458-V463 HydrophobicContact CB-CG1 4.07Å; V463-W465 HydrophobicContact CB-CB 4.4Å; V463-W465 HydrophobicContact CB-CD2 3.67Å; V463-W465 HydrophobicContact CB-CE3 4.13Å; V463-W465 HydrophobicContact CB-CG 3.73Å; V463-W465 HydrophobicContact CB-CZ2 4.5Å; V463-W465 HydrophobicContact CG1-CD2 3.88Å; V463-W465 HydrophobicContact CG1-CE3 4.15Å; V463-W465 HydrophobicContact CG1-CG 4.43Å; V463-W465 HydrophobicContact CG1-CH2 4.09Å; V463-W465 HydrophobicContact CG1-CZ2 3.83Å; V463-W465 HydrophobicContact CG1-CZ3 4.23Å; V463-W465 HydrophobicContact CG2-CB 4.2Å; V463-W465 HydrophobicContact CG2-CD2 3.82Å; V463-W465 HydrophobicContact CG2-CE3 3.84Å; V463-W465 HydrophobicContact CG2-CG 3.94Å; V463-R486 PolarHBondContact O-N 2.77Å
464S97.8Very high96.6Very high30 Ų3039.6 Ų39.621%0.2122%0.217CC..  trans-104.89.8174.253.30000112.8D481 M482S464-D481 CarbonylContact O-C 3.48Å; S464-D481 WeakPolarHBondContact O-CA 3.45Å; S464-D481 WeakPolarHBondContact O-CB 3.38Å; S464-M482 VanDerWaalsContact CB-O 3.3Å; S464-M482 WeakPolarHBondContact CB-O 3.36Å; S464-M482 PolarHBondContact O-N 3.34Å
465W98.5Very high96.6Very high54 Ų5442.9 Ų42.921%0.20524%0.236CC..  trans-58.9143.6-169.5-63-4.3000112.9Q437 S454 G455 H458 V463 Y467 R478 D481Q437-W465 HydrophobicContact CB-CH2 4.19Å; Q437-W465 HydrophobicContact CB-CZ3 3.64Å; Q437-W465 HydrophobicContact CG-CH2 4.07Å; Q437-W465 HydrophobicContact CG-CZ3 3.95Å; S454-W465 CarbonylContact C-O 3.53Å; S454-W465 VanDerWaalsContact CA-O 3.26Å; S454-W465 WeakPolarHBondContact CA-O 3.31Å; G455-W465 PolarHBondContact N-O 2.84Å; H458-W465 HydrophobicContact CB-CH2 4.14Å; H458-W465 HydrophobicContact CB-CZ3 4Å; H458-W465 AromaticContact CD2-CH2 3.65Å; H458-W465 AromaticContact CG-CH2 3.77Å; H458-W465 AromaticContact CG-CZ3 3.9Å; V463-W465 HydrophobicContact CB-CB 4.4Å; V463-W465 HydrophobicContact CB-CD2 3.67Å; V463-W465 HydrophobicContact CB-CE3 4.13Å; V463-W465 HydrophobicContact CB-CG 3.73Å; V463-W465 HydrophobicContact CB-CZ2 4.5Å; V463-W465 HydrophobicContact CG1-CD2 3.88Å; V463-W465 HydrophobicContact CG1-CE3 4.15Å; V463-W465 HydrophobicContact CG1-CG 4.43Å; V463-W465 HydrophobicContact CG1-CH2 4.09Å; V463-W465 HydrophobicContact CG1-CZ2 3.83Å; V463-W465 HydrophobicContact CG1-CZ3 4.23Å; V463-W465 HydrophobicContact CG2-CB 4.2Å; V463-W465 HydrophobicContact CG2-CD2 3.82Å; V463-W465 HydrophobicContact CG2-CE3 3.84Å; V463-W465 HydrophobicContact CG2-CG 3.94Å; W465-Y467 HydrophobicContact CB-CE2 4.3Å; W465-Y467 HydrophobicContact CD2-CE2 4.5Å; W465-Y467 AromaticContact CE3-CE2 3.87Å; W465-Y467 HydrophobicContact CE3-CE2 3.87Å; W465-R478 VanDerWaalsContact CB-CZ 3.47Å; W465-D481 WeakPolarHBondContact CA-OD1 3.23Å
466L98.7Very high96.7Very high0 Ų044.6 Ų44.60%024%0.243CC..EExtended strand (participates in β ladder)trans-124.1114.7168.1-176.465.6000110.6Y452 I453 R478 K479 Q480 D481 Y520 W527Y452-L466 HydrophobicContact CD1-CD1 4.34Å; I453-L466 CarbonylContact O-C 3.52Å; I453-L466 WeakPolarHBondContact O-CA 3.44Å; L466-R478 WeakPolarHBondContact O-CD 3.43Å; L466-K479 HydrophobicContact CB-CB 4.13Å; L466-K479 HydrophobicContact CD2-CB 3.64Å; L466-K479 HydrophobicContact CD2-CG 4.48Å; L466-K479 HydrophobicContact CG-CB 3.81Å; L466-K479 PolarHBondContact O-N 2.79Å; L466-Q480 WeakPolarHBondContact CB-O 3.31Å; L466-Q480 WeakPolarHBondContact CD2-O 3.22Å; L466-D481 PolarHBondContact N-OD1 3.34Å; L466-Y520 HydrophobicContact CD2-CD1 4.03Å; L466-Y520 HydrophobicContact CD2-CD2 3.89Å; L466-Y520 HydrophobicContact CD2-CE1 3.72Å; L466-Y520 HydrophobicContact CD2-CE2 3.58Å; L466-Y520 HydrophobicContact CD2-CG 4.1Å; L466-Y520 VanDerWaalsContact CD2-CZ 3.49Å; L466-W527 HydrophobicContact CD1-CZ2 4.2Å; L466-W527 HydrophobicContact CD2-CZ2 3.86Å; L466-W527 HydrophobicContact CG-CZ2 4.47Å
467Y98.7Very high96.7Very high16 Ų1646.8 Ų46.86%0.06326%0.261CS..EExtended strand (participates in β ladder)trans-106.6146173.4-67.7-65.1000110.9L435 P436 Y452 I453 W465 A477 R478L435-Y467 HydrophobicContact CD2-CD2 4.46Å; P436-Y467 HydrophobicContact CB-CE1 4Å; P436-Y467 HydrophobicContact CG-CD1 4.02Å; P436-Y467 HydrophobicContact CG-CE1 3.72Å; Y452-Y467 CarbonylContact C-O 3.59Å; Y452-Y467 VanDerWaalsContact CA-O 3.28Å; Y452-Y467 WeakPolarHBondContact CA-O 3.23Å; I453-Y467 PolarHBondContact N-O 3.47Å; I453-Y467 PolarHBondContact O-N 3.21Å; W465-Y467 HydrophobicContact CB-CE2 4.3Å; W465-Y467 HydrophobicContact CD2-CE2 4.5Å; W465-Y467 AromaticContact CE3-CE2 3.87Å; W465-Y467 HydrophobicContact CE3-CE2 3.87Å; Y467-A477 WeakPolarHBondContact CA-O 3.43Å; Y467-R478 HydrophobicContact CE1-CB 4.48Å; Y467-R478 PolarHBondContact OH-NH1 3.42Å
468C98.6Very high96.7Very high5 Ų550.6 Ų50.63%0.03427%0.273CS..EExtended strand (participates in β ladder)trans-125.6122.3176.2177.90000109.1I451 Y452 W476 A477 K479I451-C468 CarbonylContact O-C 3.55Å; I451-C468 WeakPolarHBondContact O-CA 3.33Å; Y452-C468 HydrophobicContact CD1-CB 3.92Å; Y452-C468 HydrophobicContact CE1-CB 3.78Å; Y452-C468 VanDerWaalsContact CZ-SG 3.57Å; C468-W476 CarbonylContact O-C 3.53Å; C468-W476 WeakPolarHBondContact O-CA 3.42Å; C468-A477 PolarHBondContact N-O 3.35Å; C468-A477 PolarHBondContact O-N 2.87Å; C468-K479 HydrophobicContact CB-CG 3.8Å
469Y98.8Very high96.9Very high2 Ų252.4 Ų52.41%0.00828%0.281CS..EExtended strand (participates in β ladder)trans-100.1129.9176.4177.7-113.7000110.5Y405 V432 K450 I451 P471 D474 V475 W476Y405-Y469 HydrophobicContact CD1-CE1 4.05Å; Y405-Y469 AromaticContact CE1-CE1 3.77Å; Y405-Y469 HydrophobicContact CE1-CE1 3.77Å; V432-Y469 WeakPolarHBondContact CB-OH 3.42Å; K450-Y469 WeakPolarHBondContact CA-O 3.27Å; K450-Y469 WeakPolarHBondContact CB-O 3.44Å; I451-Y469 HydrophobicContact CB-CD1 4.45Å; I451-Y469 HydrophobicContact CD1-CD1 4.06Å; I451-Y469 PolarHBondContact N-O 3.4Å; I451-Y469 VanDerWaalsContact N-O 3.07Å; I451-Y469 PolarHBondContact O-N 3.42Å; Y469-P471 HydrophobicContact CD1-CB 4.37Å; Y469-P471 HydrophobicContact CE1-CB 3.78Å; Y469-D474 WeakPolarHBondContact CE2-OD1 3.2Å; Y469-D474 PolarHBondContact OH-OD1 3.37Å; Y469-V475 WeakPolarHBondContact CA-O 3.3Å; Y469-V475 WeakPolarHBondContact CD2-O 3.48Å; Y469-W476 AromaticContact CD2-CD1 3.85Å; Y469-W476 AromaticContact CD2-CD2 3.93Å; Y469-W476 HydrophobicContact CD2-CD2 3.93Å; Y469-W476 AromaticContact CD2-CE2 3.58Å; Y469-W476 HydrophobicContact CD2-CG 4.1Å; Y469-W476 HydrophobicContact CD2-CZ2 4.04Å; Y469-W476 AromaticContact CD2-NE1 3.5Å; Y469-W476 HydrophobicContact CG-CD2 4.24Å; Y469-W476 AromaticContact CG-CE2 3.9Å; Y469-W476 HydrophobicContact CG-CH2 4.29Å; Y469-W476 AromaticContact CG-CZ2 3.92Å; Y469-W476 HydrophobicContact CG-CZ2 3.92Å
470D98.1Very high97.3Very high21 Ų2151.5 Ų51.511%0.11227%0.273CS..EExtended strand (participates in β ladder)trans-102107.2171.7-167.4-43.3000108.9K450 V472 M473 D474 V475K450-D470 WeakPolarHBondContact CE-OD2 3.49Å; K450-D470 IonicContact NZ-OD2 2.68Å; K450-D470 PolarHBondContact NZ-OD2 3.12Å; D470-V472 PolarHBondContact O-N 3.01Å; D470-V472 WeakPolarHBondContact OD1-CB 3.29Å; D470-V472 PolarHBondContact OD1-N 3.3Å; D470-M473 HydrophobicContact CB-CB 4.38Å; D470-M473 HydrophobicContact CB-CE 4.08Å; D470-M473 PolarHBondContact O-N 2.95Å; D470-M473 PolarHBondContact OD1-N 3.41Å; D470-D474 WeakPolarHBondContact O-CA 3.3Å; D470-D474 PolarHBondContact O-N 3.32Å; D470-V475 HydrophobicContact CB-CG2 4.46Å; D470-V475 PolarHBondContact N-O 2.68Å; D470-V475 PolarHBondContact O-N 2.65Å
471P96.9Very high97.8Very high27 Ų2751.8 Ų51.818%0.17527%0.265CS..THydrogen-bonded Turntrans-71-17.8-177.131.8-39.3000113.6L400 Y405 G449 Y469L400-P471 HydrophobicContact CD2-CB 4.49Å; L400-P471 HydrophobicContact CD2-CG 3.7Å; Y405-P471 WeakPolarHBondContact OH-CB 3.5Å; G449-P471 WeakPolarHBondContact O-CD 3.38Å; G449-P471 WeakPolarHBondContact O-CG 3.42Å; Y469-P471 HydrophobicContact CD1-CB 4.37Å; Y469-P471 HydrophobicContact CE1-CB 3.78Å
472V96.5Very high98Very high133 Ų13346.6 Ų46.681%0.80624%0.241SC*.THydrogen-bonded Turntrans-78.6-41.7179.2179.20000110D470D470-V472 PolarHBondContact O-N 3.01Å; D470-V472 WeakPolarHBondContact OD1-CB 3.29Å; D470-V472 PolarHBondContact OD1-N 3.3Å
473M97.4Very high98Very high123 Ų12350.1 Ų50.161%0.60626%0.262SS*.THydrogen-bonded Turntrans-89.4-11.6177.7-62.8-166.2-53.200113.2D470 V475D470-M473 HydrophobicContact CB-CB 4.38Å; D470-M473 HydrophobicContact CB-CE 4.08Å; D470-M473 PolarHBondContact O-N 2.95Å; D470-M473 PolarHBondContact OD1-N 3.41Å; M473-V475 HydrophobicContact CB-CG2 3.79Å; M473-V475 HydrophobicContact CE-CG2 3.71Å; M473-V475 PolarHBondContact O-N 3.37Å
474D98.1Very high97.9Very high60 Ų6050.8 Ų50.832%0.32127%0.266SS..THydrogen-bonded Turntrans52.750.1-173.4-170.319.4000112.3S433 Y469 D470S433-D474 WeakPolarHBondContact CA-OD1 3.3Å; S433-D474 VanDerWaalsContact CB-O 3.27Å; S433-D474 WeakPolarHBondContact CB-O 3.22Å; S433-D474 WeakPolarHBondContact CB-OD1 3.27Å; S433-D474 PolarHBondContact N-OD1 2.83Å; S433-D474 PolarHBondContact OG-O 3Å; S433-D474 PolarHBondContact OG-OD1 2.74Å; Y469-D474 WeakPolarHBondContact CE2-OD1 3.2Å; Y469-D474 PolarHBondContact OH-OD1 3.37Å; D470-D474 WeakPolarHBondContact O-CA 3.3Å; D470-D474 PolarHBondContact O-N 3.32Å
475V98.3Very high97.8Very high68 Ų6853.1 Ų53.141%0.41227%0.272SS..EExtended strand (participates in β ladder)trans-138.1151.4-179.8-63.20000112.8Y469 D470 M473Y469-V475 WeakPolarHBondContact CA-O 3.3Å; Y469-V475 WeakPolarHBondContact CD2-O 3.48Å; D470-V475 HydrophobicContact CB-CG2 4.46Å; D470-V475 PolarHBondContact N-O 2.68Å; D470-V475 PolarHBondContact O-N 2.65Å; M473-V475 HydrophobicContact CB-CG2 3.79Å; M473-V475 HydrophobicContact CE-CG2 3.71Å; M473-V475 PolarHBondContact O-N 3.37Å
476W98.7Very high97.8Very high36 Ų3650.5 Ų50.514%0.13626%0.262CS..EExtended strand (participates in β ladder)trans-100.3138.2172.5-70.291.9000111.2I407 V419 S433 S434 L435 P436 I453 C468 Y469I407-W476 HydrophobicContact CD1-CH2 4.13Å; I407-W476 HydrophobicContact CD1-CZ2 4.45Å; I407-W476 HydrophobicContact CG1-CH2 4.47Å; I407-W476 HydrophobicContact CG1-CZ2 4.43Å; I407-W476 HydrophobicContact CG2-CH2 4.03Å; I407-W476 HydrophobicContact CG2-CZ2 4.21Å; V419-W476 HydrophobicContact CG2-CZ2 3.88Å; S433-W476 PolarHBondContact O-NE1 3.06Å; S434-W476 PolarHBondContact O-NE1 3.4Å; L435-W476 HydrophobicContact CD2-CD2 4.13Å; L435-W476 HydrophobicContact CD2-CE3 4.03Å; L435-W476 HydrophobicContact CD2-CH2 3.49Å; L435-W476 VanDerWaalsContact CD2-CH2 3.49Å; L435-W476 HydrophobicContact CD2-CZ2 3.63Å; L435-W476 HydrophobicContact CD2-CZ3 3.69Å; L435-W476 HydrophobicContact CG-CH2 4.39Å; L435-W476 HydrophobicContact CG-CZ2 4.13Å; P436-W476 HydrophobicContact CG-CB 3.84Å; P436-W476 HydrophobicContact CG-CG 4.37Å; I453-W476 HydrophobicContact CB-CZ3 4.38Å; I453-W476 HydrophobicContact CG1-CH2 3.7Å; I453-W476 HydrophobicContact CG1-CZ3 3.84Å; C468-W476 CarbonylContact O-C 3.53Å; C468-W476 WeakPolarHBondContact O-CA 3.42Å; Y469-W476 AromaticContact CD2-CD1 3.85Å; Y469-W476 AromaticContact CD2-CD2 3.93Å; Y469-W476 HydrophobicContact CD2-CD2 3.93Å; Y469-W476 AromaticContact CD2-CE2 3.58Å; Y469-W476 HydrophobicContact CD2-CG 4.1Å; Y469-W476 HydrophobicContact CD2-CZ2 4.04Å; Y469-W476 AromaticContact CD2-NE1 3.5Å; Y469-W476 HydrophobicContact CG-CD2 4.24Å; Y469-W476 AromaticContact CG-CE2 3.9Å; Y469-W476 HydrophobicContact CG-CH2 4.29Å; Y469-W476 AromaticContact CG-CZ2 3.92Å; Y469-W476 HydrophobicContact CG-CZ2 3.92Å
477A98.3Very high97.7Very high46 Ų4650.5 Ų50.538%0.3826%0.262SS..EExtended strand (participates in β ladder)trans-120.5142.1171.400000110.4Y467 C468Y467-A477 WeakPolarHBondContact CA-O 3.43Å; C468-A477 PolarHBondContact N-O 3.35Å; C468-A477 PolarHBondContact O-N 2.87Å
478R98.2Very high97.6Very high100 Ų10052.3 Ų52.338%0.37727%0.272SS..EExtended strand (participates in β ladder)trans-79.7137.7169.4-172.159.9175.4-121.6-18.4110W465 L466 Y467 D481W465-R478 VanDerWaalsContact CB-CZ 3.47Å; L466-R478 WeakPolarHBondContact O-CD 3.43Å; Y467-R478 HydrophobicContact CE1-CB 4.48Å; Y467-R478 PolarHBondContact OH-NH1 3.42Å; R478-D481 IonicContact CZ-OD1 3.27Å; R478-D481 IonicContact CZ-OD2 2.83Å; R478-D481 IonicContact NE-OD1 3.79Å; R478-D481 PolarHBondContact NE-OD1 3.09Å; R478-D481 IonicContact NH2-OD1 3.23Å; R478-D481 PolarHBondContact NH2-OD1 3.33Å; R478-D481 IonicContact NH2-OD2 2.56Å; R478-D481 PolarHBondContact NH2-OD2 2.85Å
479K98.4Very high97.5Very high64 Ų6452.7 Ų52.728%0.27827%0.273SS..EExtended strand (participates in β ladder)trans-118.6178.8176.5-66.6-59.8-172.8175.60110.7L466 C468 D481L466-K479 HydrophobicContact CB-CB 4.13Å; L466-K479 HydrophobicContact CD2-CB 3.64Å; L466-K479 HydrophobicContact CD2-CG 4.48Å; L466-K479 HydrophobicContact CG-CB 3.81Å; L466-K479 PolarHBondContact O-N 2.79Å; C468-K479 HydrophobicContact CB-CG 3.8Å; K479-D481 PolarHBondContact O-N 3.08Å
480Q98.5Very high97.5Very high104 Ų10453.1 Ų53.149%0.48628%0.276SS..PPolyproline II helixtrans-59.3126176.8-175.260.73000110.9L466 Y520 D525 W527L466-Q480 WeakPolarHBondContact CB-O 3.31Å; L466-Q480 WeakPolarHBondContact CD2-O 3.22Å; Q480-Y520 HydrophobicContact CB-CE2 4.39Å; Q480-D525 WeakPolarHBondContact CB-O 3.08Å; Q480-D525 VanDerWaalsContact CB-OD1 3.3Å; Q480-D525 WeakPolarHBondContact CB-OD1 3.21Å; Q480-D525 PolarHBondContact N-OD1 2.87Å; Q480-W527 PolarHBondContact O-NE1 3.27Å
481D98.4Very high97.5Very high46 Ų4652.7 Ų52.725%0.24627%0.274CS..PPolyproline II helixtrans-68.5148.9178.7-72.3-4.6000111.3S464 W465 L466 R478 K479S464-D481 CarbonylContact O-C 3.48Å; S464-D481 WeakPolarHBondContact O-CA 3.45Å; S464-D481 WeakPolarHBondContact O-CB 3.38Å; W465-D481 WeakPolarHBondContact CA-OD1 3.23Å; L466-D481 PolarHBondContact N-OD1 3.34Å; R478-D481 IonicContact CZ-OD1 3.27Å; R478-D481 IonicContact CZ-OD2 2.83Å; R478-D481 IonicContact NE-OD1 3.79Å; R478-D481 PolarHBondContact NE-OD1 3.09Å; R478-D481 IonicContact NH2-OD1 3.23Å; R478-D481 PolarHBondContact NH2-OD1 3.33Å; R478-D481 IonicContact NH2-OD2 2.56Å; R478-D481 PolarHBondContact NH2-OD2 2.85Å; K479-D481 PolarHBondContact O-N 3.08Å
482M98.2Very high97.5Very high6 Ų651.7 Ų51.73%0.0327%0.268CS..PPolyproline II helixtrans-59153.9171.9-67.7-178.4-62.900110.9G455 S464 T484 R486 A500 W527G455-M482 VanDerWaalsContact CA-CE 3.47Å; S464-M482 VanDerWaalsContact CB-O 3.3Å; S464-M482 WeakPolarHBondContact CB-O 3.36Å; S464-M482 PolarHBondContact O-N 3.34Å; M482-T484 VanDerWaalsContact C-N 3.33Å; M482-R486 HydrophobicContact CE-CG 3.72Å; M482-R486 HydrophobicContact SD-CG 4.21Å; M482-A500 HydrophobicContact SD-CB 3.8Å; M482-W527 HydrophobicContact CG-CD2 4.07Å; M482-W527 HydrophobicContact CG-CE3 4.37Å; M482-W527 HydrophobicContact CG-CH2 3.68Å; M482-W527 HydrophobicContact CG-CZ2 3.31Å; M482-W527 HydrophobicContact CG-CZ3 4.2Å; M482-W527 HydrophobicContact SD-CH2 4.06Å; M482-W527 HydrophobicContact SD-CZ2 4.21Å
483N96.1Very high97.5Very high100 Ų10046.8 Ų46.854%0.53525%0.245SC..SBendtrans-70-34.9175-58.1-82.5000111.2E518 W527N483-E518 WeakPolarHBondContact CA-OE2 3.28Å; N483-E518 WeakPolarHBondContact CB-OE2 3.35Å; N483-E518 PolarHBondContact N-OE2 2.84Å; N483-E518 PolarHBondContact ND2-OE2 2.79Å; N483-W527 WeakPolarHBondContact ND2-CB 3.29Å
484T94.8Very high97.3Very high26 Ų2641.7 Ų41.716%0.1622%0.219CC..SBendtrans-114.1121.7-179.8-47.10000110.8M482 R486 V514 E518M482-T484 VanDerWaalsContact C-N 3.33Å; T484-R486 PolarHBondContact O-N 2.92Å; T484-V514 HydrophobicContact CG2-CG1 3.73Å; T484-V514 HydrophobicContact CG2-CG2 4.39Å; T484-E518 VanDerWaalsContact CB-OE1 3.31Å; T484-E518 WeakPolarHBondContact CB-OE1 3.4Å; T484-E518 PolarHBondContact N-OE1 2.98Å; T484-E518 VanDerWaalsContact N-OE1 3.11Å; T484-E518 PolarHBondContact OG1-OE1 3.43Å
485K96.1Very high97Very high78 Ų7843 Ų4334%0.33923%0.227SC..  trans-61.8134.8167.566.8-178.6-172.8171.20109.6Y462 H505Y462-K485 WeakPolarHBondContact O-CD 3.38Å; K485-H505 HydrophobicContact CG-CB 4.3Å; K485-H505 WeakPolarHBondContact O-CB 3.38Å
486R97Very high96.8Very high0 Ų043.4 Ų43.40%023%0.226CC..  trans-156.5151.4-176.758.7-179.476.1-141.411.5110.9G455 G456 V463 M482 T484 H489 G502 N504 V514 L516 E518G455-R486 WeakPolarHBondContact CA-O 3.34Å; G456-R486 PolarHBondContact N-O 3.22Å; V463-R486 PolarHBondContact O-N 2.77Å; M482-R486 HydrophobicContact CE-CG 3.72Å; M482-R486 HydrophobicContact SD-CG 4.21Å; T484-R486 PolarHBondContact O-N 2.92Å; R486-H489 VanDerWaalsContact CD-CD2 3.5Å; R486-H489 WeakPolarHBondContact CD-CD2 3.37Å; R486-H489 VanDerWaalsContact CD-CG 3.47Å; R486-H489 HydrophobicContact CG-CB 4.14Å; R486-G502 PolarHBondContact NH1-O 3.05Å; R486-N504 WeakPolarHBondContact CA-O 3.28Å; R486-V514 HydrophobicContact CB-CG2 4.11Å; R486-L516 PolarHBondContact NH1-O 2.89Å; R486-L516 VanDerWaalsContact NH1-O 3.13Å; R486-L516 PolarHBondContact NH2-O 3.2Å; R486-E518 IonicContact CZ-OE1 3.99Å; R486-E518 IonicContact NE-OE1 2.71Å; R486-E518 IonicContact NH2-OE1 3.22Å; R486-E518 PolarHBondContact NH2-OE1 3.04Å
487A97.3Very high96.7Very high0 Ų045.9 Ų45.90%024%0.235CC..BIsolated β-bridgetrans-134165.7169.500000110.2A441 V457 Y462 H489 G503 N504A441-A487 HydrophobicContact CB-CB 4.2Å; V457-A487 HydrophobicContact CG2-CB 3.64Å; Y462-A487 HydrophobicContact CD1-CB 3.58Å; Y462-A487 HydrophobicContact CE1-CB 3.48Å; Y462-A487 VanDerWaalsContact CE1-CB 3.48Å; A487-H489 PolarHBondContact O-N 2.92Å; A487-H489 VanDerWaalsContact O-N 3.08Å; A487-G503 WeakPolarHBondContact O-CA 3.39Å; A487-N504 PolarHBondContact N-O 3.34Å; A487-N504 PolarHBondContact O-N 3.48Å; A487-N504 PolarHBondContact O-OD1 2.83Å
488I96.4Very high96.7Very high54 Ų5443.7 Ų43.728%0.27722%0.217SC..SBendtrans52.431-176.8-34.8175.1000111A441 G540A441-I488 HydrophobicContact CB-CG1 3.81Å; A441-I488 PolarHBondContact O-N 2.97Å; I488-G540 PolarHBondContact O-N 2.97Å
489H97.9Very high96.7Very high12 Ų1239.6 Ų39.66%0.05620%0.202CC..  trans-92.7-178.617564.9-69.7000110.2A443 S454 R486 A487 I501 G502A443-H489 WeakPolarHBondContact CB-NE2 3.49Å; A443-H489 VanDerWaalsContact CB-O 3.31Å; A443-H489 WeakPolarHBondContact CB-O 3.49Å; S454-H489 PolarHBondContact O-CE1 3.18Å; S454-H489 PolarHBondContact O-NE2 3.47Å; S454-H489 PolarHBondContact OG-NE2 2.84Å; R486-H489 VanDerWaalsContact CD-CD2 3.5Å; R486-H489 WeakPolarHBondContact CD-CD2 3.37Å; R486-H489 VanDerWaalsContact CD-CG 3.47Å; R486-H489 HydrophobicContact CG-CB 4.14Å; A487-H489 PolarHBondContact O-N 2.92Å; A487-H489 VanDerWaalsContact O-N 3.08Å; H489-I501 WeakPolarHBondContact CB-O 3.33Å; H489-G502 VanDerWaalsContact CB-O 3.27Å; H489-G502 WeakPolarHBondContact CB-O 3.48Å
490V98Very high96.7Very high12 Ų1236.5 Ų36.57%0.07319%0.189CC..EExtended strand (participates in β ladder)trans-111.7142.3174.4165.50000109.2A492 A500 I501 P541 C543 L552V490-A492 HydrophobicContact CG1-CB 4.29Å; V490-A500 CarbonylContact O-C 3.53Å; V490-A500 WeakPolarHBondContact O-CA 3.38Å; V490-I501 PolarHBondContact N-O 3.39Å; V490-I501 PolarHBondContact O-N 3.18Å; V490-P541 HydrophobicContact CG2-CG 3.83Å; V490-C543 HydrophobicContact CB-CB 4.25Å; V490-C543 HydrophobicContact CG1-CB 3.5Å; V490-C543 VanDerWaalsContact CG1-CB 3.5Å; V490-C543 WeakPolarHBondContact CG1-SG 3.19Å; V490-C543 HydrophobicContact CG2-CB 3.67Å; V490-L552 HydrophobicContact CB-CD2 4.36Å; V490-L552 HydrophobicContact CG1-CD2 4.24Å; V490-L552 HydrophobicContact CG2-CD2 3.98Å
491L98.3Very high96.6Very high12 Ų1231.6 Ų31.66%0.06317%0.166CC..EExtended strand (participates in β ladder)trans-119.2110.8164.8-169.570.5000107.5A443 A445 L498 Y499 A500 W527A443-L491 HydrophobicContact CB-CB 3.76Å; A445-L491 HydrophobicContact CB-CB 4.4Å; A445-L491 HydrophobicContact CB-CD2 3.87Å; A445-L491 HydrophobicContact CB-CG 3.87Å; L491-L498 HydrophobicContact CD1-CB 4.01Å; L491-L498 HydrophobicContact CD2-CD1 4.3Å; L491-L498 HydrophobicContact CG-CB 4.37Å; L491-Y499 CarbonylContact C-O 3.59Å; L491-Y499 VanDerWaalsContact CA-O 3.32Å; L491-Y499 WeakPolarHBondContact CA-O 3.47Å; L491-A500 HydrophobicContact CD1-CB 4.07Å; L491-W527 HydrophobicContact CD1-CH2 4.03Å
492A97.1Very high96.6Very high5 Ų529.4 Ų29.44%0.04115%0.154CC..EExtended strand (participates in β ladder)trans-108.7129.1-179.100000110.4V490 L498 Y499 I550V490-A492 HydrophobicContact CG1-CB 4.29Å; A492-L498 CarbonylContact O-C 3.59Å; A492-L498 WeakPolarHBondContact O-CA 3.19Å; A492-Y499 PolarHBondContact N-O 3.22Å; A492-Y499 PolarHBondContact O-N 2.91Å; A492-I550 HydrophobicContact CB-CD1 3.75Å; A492-I550 HydrophobicContact CB-CG1 3.97Å; A492-I550 HydrophobicContact CB-CG2 3.95Å
493G95.4Very high96.5Very high31 Ų3129.1 Ų29.132%0.3215%0.152SC..EExtended strand (participates in β ladder)trans-91.9121.5173.200000111R497G493-R497 WeakPolarHBondContact CA-O 3.09Å
494M94.1Very high96.5Very high16 Ų1624.3 Ų24.38%0.07913%0.127CC..EExtended strand (participates in β ladder)trans-159.7151176.8-162.8160.674.600110.9D496 R497 Y499 V545 D548 I550 P572M494-D496 PolarHBondContact O-N 2.91Å; M494-D496 VanDerWaalsContact O-N 3.17Å; M494-R497 PolarHBondContact N-O 2.96Å; M494-R497 PolarHBondContact O-N 2.67Å; M494-R497 VanDerWaalsContact O-O 3.06Å; M494-Y499 HydrophobicContact CB-CE2 4.3Å; M494-V545 HydrophobicContact CG-CG1 4.38Å; M494-V545 HydrophobicContact SD-CG1 3.46Å; M494-V545 WeakPolarHBondContact SD-CG1 3.34Å; M494-V545 HydrophobicContact SD-CG2 4.45Å; M494-D548 WeakPolarHBondContact CE-O 3.34Å; M494-I550 HydrophobicContact CE-CD1 4.07Å; M494-I550 HydrophobicContact CE-CG1 3.78Å; M494-I550 HydrophobicContact SD-CG1 4.23Å; M494-P572 HydrophobicContact CE-CB 4.38Å; M494-P572 HydrophobicContact CE-CG 3.14Å
495N91.4Very high96.3Very high88 Ų8825 Ų2547%0.47113%0.128SC..THydrogen-bonded Turntrans48.943.7177.3-63.7-20.4000113.8R497N495-R497 PolarHBondContact O-N 3.4Å
496D94.5Very high96Very high76 Ų7623.6 Ų23.641%0.40612%0.124SC..THydrogen-bonded Turntrans62.419.9179.8-123.216000114.4H447 N448 M494 K523H447-D496 VanDerWaalsContact CE1-C 3.47Å; H447-D496 PolarHBondContact CE1-O 3.4Å; H447-D496 VanDerWaalsContact CE1-O 3.28Å; H447-D496 IonicContact CE1-OD1 2.74Å; H447-D496 PolarHBondContact CE1-OD1 3.35Å; H447-D496 VanDerWaalsContact CE1-OD1 3.23Å; N448-D496 PolarHBondContact ND2-OD1 3.34Å; M494-D496 PolarHBondContact O-N 2.91Å; M494-D496 VanDerWaalsContact O-N 3.17Å; D496-K523 IonicContact OD2-NZ 3.75Å; D496-K523 PolarHBondContact OD2-NZ 2.93Å
497R96.3Very high95.3Very high87 Ų8731 Ų3133%0.32816%0.156SC..EExtended strand (participates in β ladder)trans-133.3164.5-178.6-63.9-176.6179.5-72.7-6111.7G493 M494 N495 Y499 C519 D521G493-R497 WeakPolarHBondContact CA-O 3.09Å; M494-R497 PolarHBondContact N-O 2.96Å; M494-R497 PolarHBondContact O-N 2.67Å; M494-R497 VanDerWaalsContact O-O 3.06Å; N495-R497 PolarHBondContact O-N 3.4Å; R497-Y499 HydrophobicContact CB-CE2 3.97Å; R497-C519 VanDerWaalsContact CD-SG 3.5Å; R497-D521 IonicContact CZ-OD2 3.78Å; R497-D521 IonicContact NH1-OD2 3.73Å; R497-D521 PolarHBondContact NH1-OD2 2.99Å; R497-D521 IonicContact NH2-OD2 2.72Å; R497-D521 PolarHBondContact NH2-OD2 3.04Å
498L98.3Very high94.7Very high0 Ų034 Ų340%019%0.188CC..EExtended strand (participates in β ladder)trans-115.8132.3172.6-52.2178.5000110.4A445 H447 Y452 L491 A492 C519 Y520 P522A445-L498 HydrophobicContact CB-CD2 3.71Å; H447-L498 HydrophobicContact CB-CD2 3.86Å; Y452-L498 HydrophobicContact CD1-CD1 3.86Å; Y452-L498 HydrophobicContact CD2-CD1 3.9Å; Y452-L498 HydrophobicContact CE1-CD1 4.47Å; Y452-L498 HydrophobicContact CG-CD1 3.53Å; L491-L498 HydrophobicContact CD1-CB 4.01Å; L491-L498 HydrophobicContact CD2-CD1 4.3Å; L491-L498 HydrophobicContact CG-CB 4.37Å; A492-L498 CarbonylContact O-C 3.59Å; A492-L498 WeakPolarHBondContact O-CA 3.19Å; L498-C519 CarbonylContact O-C 3.57Å; L498-C519 WeakPolarHBondContact O-CA 3.46Å; L498-Y520 HydrophobicContact CD1-CD1 3.94Å; L498-Y520 HydrophobicContact CG-CD1 4.35Å; L498-Y520 PolarHBondContact N-O 2.76Å; L498-Y520 VanDerWaalsContact N-O 3.16Å; L498-Y520 PolarHBondContact O-N 3.49Å; L498-P522 HydrophobicContact CG-CG 4.43Å
499Y97.9Very high93.8Very high14 Ų1441.5 Ų41.56%0.05522%0.219CC..EExtended strand (participates in β ladder)trans-112.4113.6-177.5-63.4-94.7000110.1L491 A492 M494 R497 E518 C519 L530 I550 Y570 P572L491-Y499 CarbonylContact C-O 3.59Å; L491-Y499 VanDerWaalsContact CA-O 3.32Å; L491-Y499 WeakPolarHBondContact CA-O 3.47Å; A492-Y499 PolarHBondContact N-O 3.22Å; A492-Y499 PolarHBondContact O-N 2.91Å; M494-Y499 HydrophobicContact CB-CE2 4.3Å; R497-Y499 HydrophobicContact CB-CE2 3.97Å; Y499-E518 CarbonylContact C-O 3.51Å; Y499-E518 WeakPolarHBondContact CA-O 3.39Å; Y499-C519 HydrophobicContact CD1-CB 4.07Å; Y499-C519 HydrophobicContact CE1-CB 4.08Å; Y499-C519 VanDerWaalsContact CE1-SG 3.51Å; Y499-L530 HydrophobicContact CD1-CD1 3.96Å; Y499-L530 HydrophobicContact CE1-CD1 3.98Å; Y499-I550 HydrophobicContact CD2-CD1 3.88Å; Y499-I550 HydrophobicContact CG-CD1 4Å; Y499-Y570 HydrophobicContact CD1-CE1 4.29Å; Y499-Y570 HydrophobicContact CE1-CE1 4.09Å; Y499-P572 HydrophobicContact CE1-CG 4.47Å; Y499-P572 HydrophobicContact CE2-CG 4.46Å
500A98.3Very high93.2Very high0 Ų044.6 Ų44.60%024%0.242CC..EExtended strand (participates in β ladder)trans-89.4113.8172.100000109.6M482 V490 L491 E518 W527M482-A500 HydrophobicContact SD-CB 3.8Å; V490-A500 CarbonylContact O-C 3.53Å; V490-A500 WeakPolarHBondContact O-CA 3.38Å; L491-A500 HydrophobicContact CD1-CB 4.07Å; A500-E518 HydrophobicContact CB-CB 4.4Å; A500-E518 PolarHBondContact N-O 2.9Å; A500-E518 PolarHBondContact O-N 3.22Å; A500-W527 HydrophobicContact CB-CH2 3.89Å; A500-W527 HydrophobicContact CB-CZ3 3.68Å
501I97.9Very high92.8Very high0 Ų047.2 Ų47.20%025%0.253CS..EExtended strand (participates in β ladder)trans-128.5132.9-169.4-57.2160.3000110.7H489 V490 V517 I534 I550 L552 W577H489-I501 WeakPolarHBondContact CB-O 3.33Å; V490-I501 PolarHBondContact N-O 3.39Å; V490-I501 PolarHBondContact O-N 3.18Å; I501-V517 HydrophobicContact CG1-CG1 3.71Å; I501-V517 HydrophobicContact CG1-CG2 4.4Å; I501-V517 HydrophobicContact CG2-CG2 4.28Å; I501-I534 HydrophobicContact CG2-CD1 3.86Å; I501-I534 HydrophobicContact CG2-CG1 4.49Å; I501-I550 HydrophobicContact CD1-CD1 4.19Å; I501-I550 HydrophobicContact CD1-CG2 4.02Å; I501-L552 HydrophobicContact CG2-CD1 3.68Å; I501-W577 HydrophobicContact CD1-CH2 4.3Å; I501-W577 HydrophobicContact CG2-CH2 3.83Å; I501-W577 HydrophobicContact CG2-CZ2 4.05Å
502G96.9Very high92.5Very high0 Ų050 Ų500%027%0.267CS..  trans68-14817300000113.6R486 H489 V514R486-G502 PolarHBondContact NH1-O 3.05Å; H489-G502 VanDerWaalsContact CB-O 3.27Å; H489-G502 WeakPolarHBondContact CB-O 3.48Å; G502-V514 WeakPolarHBondContact CA-O 3.34Å
503G96.7Very high92.4Very high0 Ų050.7 Ų50.70%027%0.271CS..  trans79.9-169.7-169.600000112.9A487 V514 R538A487-G503 WeakPolarHBondContact O-CA 3.39Å; G503-V514 PolarHBondContact O-N 3.28Å; G503-R538 PolarHBondContact N-O 2.94Å
504N95.3Very high92.5Very high0 Ų049.5 Ų49.50%026%0.257CS..EExtended strand (participates in β ladder)trans-134.2166.6176.964-12.8000111.7Y462 R486 A487 H511 L512 S539 W558Y462-N504 WeakPolarHBondContact CD1-O 3.39Å; Y462-N504 VanDerWaalsContact CE1-O 3.23Å; Y462-N504 WeakPolarHBondContact CE1-O 3.27Å; R486-N504 WeakPolarHBondContact CA-O 3.28Å; A487-N504 PolarHBondContact N-O 3.34Å; A487-N504 PolarHBondContact O-N 3.48Å; A487-N504 PolarHBondContact O-OD1 2.83Å; N504-H511 PolarHBondContact ND2-ND1 2.84Å; N504-L512 CarbonylContact C-O 3.55Å; N504-L512 WeakPolarHBondContact CA-O 3.49Å; N504-L512 VanDerWaalsContact CB-O 3.3Å; N504-L512 WeakPolarHBondContact CB-O 3.43Å; N504-S539 WeakPolarHBondContact CB-OG 3.47Å; N504-W558 WeakPolarHBondContact ND2-CZ2 3.29Å; N504-W558 PolarHBondContact ND2-NE1 2.8Å
505H92.4Very high92.6Very high40 Ų4051.8 Ų51.819%0.18527%0.268CS..EExtended strand (participates in β ladder)trans-137.9173.9163.277.368.4000110.6Y462 K485 H511 L512 V514Y462-H505 HydrophobicContact CD1-CB 4.23Å; K485-H505 HydrophobicContact CG-CB 4.3Å; K485-H505 WeakPolarHBondContact O-CB 3.38Å; H505-H511 WeakPolarHBondContact O-CA 3.31Å; H505-L512 PolarHBondContact N-O 2.72Å; H505-L512 PolarHBondContact O-N 2.99Å; H505-V514 HydrophobicContact CB-CG2 4.4Å
506L89.6Confident92.7Very high49 Ų4951.3 Ų51.326%0.25727%0.265SS..EExtended strand (participates in β ladder)trans-97.1139.1172.6-70.8173000111.8Y462Y462-L506 HydrophobicContact CD2-CB 4.46Å; Y462-L506 HydrophobicContact CD2-CD1 3.98Å; Y462-L506 HydrophobicContact CD2-CG 4.04Å; Y462-L506 HydrophobicContact CE2-CB 4.38Å; Y462-L506 HydrophobicContact CE2-CD1 3.52Å; Y462-L506 HydrophobicContact CE2-CG 3.52Å
507K81.9Confident92.9Very high154 Ų15447.7 Ų47.767%0.6725%0.246SC*.EExtended strand (participates in β ladder)trans-127.3101.2164.1-173.6178.9-176.71790108F509 S510 L512K507-F509 PolarHBondContact O-N 2.89Å; K507-S510 PolarHBondContact N-O 3.37Å; K507-S510 PolarHBondContact O-N 3.34Å; K507-L512 HydrophobicContact CB-CD1 3.45Å; K507-L512 VanDerWaalsContact CB-CD1 3.45Å; K507-L512 HydrophobicContact CB-CG 4.28Å; K507-L512 HydrophobicContact CD-CD1 3.69Å; K507-L512 HydrophobicContact CG-CD1 4.2Å
508G83.6Confident92.9Very high65 Ų6543.5 Ų43.567%0.6723%0.23SC*.THydrogen-bonded Turntrans66.1-126.8-164.700000110.1
509F78.9Confident92.9Very high211 Ų21143.8 Ų43.893%0.92523%0.232SC*.THydrogen-bonded Turntrans-94.1-1179.3-59.3-73.9000114.3K507K507-F509 PolarHBondContact O-N 2.89Å
510S85.4Confident92.9Very high76 Ų7643.1 Ų43.153%0.53123%0.229SC..EExtended strand (participates in β ladder)trans-103.2135.6-175.5-57.80000111.8K507K507-S510 PolarHBondContact N-O 3.37Å; K507-S510 PolarHBondContact O-N 3.34Å
511H88.9Confident92.9Very high67 Ų6744.4 Ų44.431%0.3124%0.236SC..EExtended strand (participates in β ladder)trans-74136.5167.8-68.3-86.3000110.4Y462 N504 H505 W558Y462-H511 PolarHBondContact OH-CE1 3.1Å; Y462-H511 VanDerWaalsContact OH-CE1 3.27Å; Y462-H511 PolarHBondContact OH-ND1 3.4Å; N504-H511 PolarHBondContact ND2-ND1 2.84Å; H505-H511 WeakPolarHBondContact O-CA 3.31Å; H511-W558 HydrophobicContact CB-CB 4.25Å; H511-W558 HydrophobicContact CB-CD2 3.34Å; H511-W558 HydrophobicContact CB-CE3 3.34Å; H511-W558 HydrophobicContact CB-CG 3.75Å; H511-W558 HydrophobicContact CB-CH2 4.2Å; H511-W558 HydrophobicContact CB-CZ2 4.23Å; H511-W558 HydrophobicContact CB-CZ3 3.79Å; H511-W558 AromaticContact CD2-CE3 3.84Å; H511-W558 AromaticContact CD2-CH2 3.4Å; H511-W558 VanDerWaalsContact CD2-CH2 3.4Å; H511-W558 WeakPolarHBondContact CD2-CH2 3.2Å; H511-W558 AromaticContact CD2-CZ3 3.29Å; H511-W558 WeakPolarHBondContact CD2-CZ3 3.48Å; H511-W558 AromaticContact CE1-CH2 3.99Å; H511-W558 AromaticContact CG-CD2 3.87Å; H511-W558 AromaticContact CG-CE2 3.93Å; H511-W558 AromaticContact CG-CE3 3.71Å; H511-W558 AromaticContact CG-CH2 3.63Å; H511-W558 AromaticContact CG-CZ2 3.83Å; H511-W558 AromaticContact CG-CZ3 3.59Å; H511-W558 AromaticContact ND1-CH2 4Å; H511-W558 AromaticContact ND1-CZ2 3.89Å; H511-W558 AromaticContact NE2-CH2 3.66Å
512L92.1Very high92.8Very high70 Ų7045.3 Ų45.337%0.36624%0.242SC..EExtended strand (participates in β ladder)trans-125135.5175.4-67.1177.5000109.9N504 H505 K507N504-L512 CarbonylContact C-O 3.55Å; N504-L512 WeakPolarHBondContact CA-O 3.49Å; N504-L512 VanDerWaalsContact CB-O 3.3Å; N504-L512 WeakPolarHBondContact CB-O 3.43Å; H505-L512 PolarHBondContact N-O 2.72Å; H505-L512 PolarHBondContact O-N 2.99Å; K507-L512 HydrophobicContact CB-CD1 3.45Å; K507-L512 VanDerWaalsContact CB-CD1 3.45Å; K507-L512 HydrophobicContact CB-CG 4.28Å; K507-L512 HydrophobicContact CD-CD1 3.69Å; K507-L512 HydrophobicContact CG-CD1 4.2Å
513D95.6Very high92.8Very high21 Ų2153 Ų5311%0.11228%0.275CS..EExtended strand (participates in β ladder)trans-65.2136.1172.6-66.5-48.7000110.4M515 S557 W558 S559D513-M515 HydrophobicContact CB-SD 4.12Å; D513-M515 PolarHBondContact O-N 2.9Å; D513-S557 PolarHBondContact OD2-OG 3.47Å; D513-W558 PolarHBondContact OD1-N 2.93Å; D513-W558 PolarHBondContact OD2-N 2.63Å; D513-W558 VanDerWaalsContact OD2-N 3.14Å; D513-S559 VanDerWaalsContact OD2-CB 3.29Å; D513-S559 WeakPolarHBondContact OD2-CB 3.43Å; D513-S559 PolarHBondContact OD2-N 2.95Å; D513-S559 PolarHBondContact OD2-OG 3.5Å
514V96.4Very high92.8Very high5 Ų555.3 Ų55.33%0.0330%0.295CS..  trans-93.4100.7173.2-167.20000109.9T484 R486 G502 G503 H505T484-V514 HydrophobicContact CG2-CG1 3.73Å; T484-V514 HydrophobicContact CG2-CG2 4.39Å; R486-V514 HydrophobicContact CB-CG2 4.11Å; G502-V514 WeakPolarHBondContact CA-O 3.34Å; G503-V514 PolarHBondContact O-N 3.28Å; H505-V514 HydrophobicContact CB-CG2 4.4Å
515M95.4Very high92.9Very high65 Ų6557.8 Ų57.832%0.3231%0.308SS..  trans-80.2-24.4-177.7-58.7-55.1-69.500113.4D513 V517 P533 I534 G537D513-M515 HydrophobicContact CB-SD 4.12Å; D513-M515 PolarHBondContact O-N 2.9Å; M515-V517 PolarHBondContact O-N 2.82Å; M515-P533 HydrophobicContact CB-CB 4.43Å; M515-P533 WeakPolarHBondContact O-CA 3.34Å; M515-P533 WeakPolarHBondContact O-CB 3.39Å; M515-I534 HydrophobicContact CB-CG2 4.4Å; M515-I534 HydrophobicContact CE-CG2 3.66Å; M515-I534 WeakPolarHBondContact CE-O 3.46Å; M515-I534 PolarHBondContact O-N 3.06Å; M515-I534 VanDerWaalsContact O-N 3.12Å; M515-I534 HydrophobicContact SD-CG2 3.9Å; M515-G537 VanDerWaalsContact SD-CA 3.56Å; M515-G537 PolarHBondContact SD-N 3.17Å; M515-G537 VanDerWaalsContact SD-N 3.42Å
516L95.3Very high93.2Very high77 Ų7761.3 Ų61.340%0.40333%0.325SS..  trans-70.6129.3-179.2-64.9176000110.8R486 I529R486-L516 PolarHBondContact NH1-O 2.89Å; R486-L516 VanDerWaalsContact NH1-O 3.13Å; R486-L516 PolarHBondContact NH2-O 3.2Å; L516-I529 HydrophobicContact CD2-CG2 4.08Å
517V96.9Very high93.6Very high0 Ų060 Ų600%032%0.316CS..  trans-96.7126.8171.2-177.90000108.6I501 M515 L530 I534 W577I501-V517 HydrophobicContact CG1-CG1 3.71Å; I501-V517 HydrophobicContact CG1-CG2 4.4Å; I501-V517 HydrophobicContact CG2-CG2 4.28Å; M515-V517 PolarHBondContact O-N 2.82Å; V517-L530 HydrophobicContact CB-CB 4.32Å; V517-L530 HydrophobicContact CB-CD1 4.2Å; V517-L530 HydrophobicContact CB-CG 4.43Å; V517-L530 HydrophobicContact CG1-CD1 3.58Å; V517-L530 HydrophobicContact CG1-CG 4.15Å; V517-L530 PolarHBondContact O-N 2.68Å; V517-I534 HydrophobicContact CG2-CB 4.45Å; V517-W577 HydrophobicContact CG2-CZ2 4.04Å
518E97.5Very high94.3Very high0 Ų056.7 Ų56.70%031%0.306CS..EExtended strand (participates in β ladder)trans-113140178.8-56.4-178.5-120.500109.6N483 T484 R486 Y499 A500 W527 N528 I529N483-E518 WeakPolarHBondContact CA-OE2 3.28Å; N483-E518 WeakPolarHBondContact CB-OE2 3.35Å; N483-E518 PolarHBondContact N-OE2 2.84Å; N483-E518 PolarHBondContact ND2-OE2 2.79Å; T484-E518 VanDerWaalsContact CB-OE1 3.31Å; T484-E518 WeakPolarHBondContact CB-OE1 3.4Å; T484-E518 PolarHBondContact N-OE1 2.98Å; T484-E518 VanDerWaalsContact N-OE1 3.11Å; T484-E518 PolarHBondContact OG1-OE1 3.43Å; R486-E518 IonicContact CZ-OE1 3.99Å; R486-E518 IonicContact NE-OE1 2.71Å; R486-E518 IonicContact NH2-OE1 3.22Å; R486-E518 PolarHBondContact NH2-OE1 3.04Å; Y499-E518 CarbonylContact C-O 3.51Å; Y499-E518 WeakPolarHBondContact CA-O 3.39Å; A500-E518 HydrophobicContact CB-CB 4.4Å; A500-E518 PolarHBondContact N-O 2.9Å; A500-E518 PolarHBondContact O-N 3.22Å; E518-W527 HydrophobicContact CB-CE3 3.56Å; E518-W527 HydrophobicContact CB-CZ3 3.93Å; E518-N528 CarbonylContact C-O 3.54Å; E518-N528 WeakPolarHBondContact CA-O 3.47Å; E518-I529 HydrophobicContact CG-CG1 4.41Å
519C97.3Very high94.9Very high5 Ų557.7 Ų57.73%0.03430%0.295CS..EExtended strand (participates in β ladder)trans-121.4117.3-179.2-1740000109.6R497 L498 Y499 N528 L530R497-C519 VanDerWaalsContact CD-SG 3.5Å; L498-C519 CarbonylContact O-C 3.57Å; L498-C519 WeakPolarHBondContact O-CA 3.46Å; Y499-C519 HydrophobicContact CD1-CB 4.07Å; Y499-C519 HydrophobicContact CE1-CB 4.08Å; Y499-C519 VanDerWaalsContact CE1-SG 3.51Å; C519-N528 PolarHBondContact N-O 3.15Å; C519-N528 PolarHBondContact O-N 2.63Å; C519-L530 HydrophobicContact CB-CD1 4.47Å; C519-L530 HydrophobicContact CB-CD2 3.78Å; C519-L530 HydrophobicContact CB-CG 4.18Å
520Y98.4Very high95.7Very high0 Ų049.4 Ų49.40%026%0.26CS..EExtended strand (participates in β ladder)trans-90.9136.1178.3-179.3-112.7000110.8Y452 L466 Q480 L498 P522 D525 Q526 W527Y452-Y520 HydrophobicContact CD1-CE1 4.33Å; Y452-Y520 AromaticContact CE1-CE1 3.95Å; Y452-Y520 HydrophobicContact CE1-CE1 3.95Å; L466-Y520 HydrophobicContact CD2-CD1 4.03Å; L466-Y520 HydrophobicContact CD2-CD2 3.89Å; L466-Y520 HydrophobicContact CD2-CE1 3.72Å; L466-Y520 HydrophobicContact CD2-CE2 3.58Å; L466-Y520 HydrophobicContact CD2-CG 4.1Å; L466-Y520 VanDerWaalsContact CD2-CZ 3.49Å; Q480-Y520 HydrophobicContact CB-CE2 4.39Å; L498-Y520 HydrophobicContact CD1-CD1 3.94Å; L498-Y520 HydrophobicContact CG-CD1 4.35Å; L498-Y520 PolarHBondContact N-O 2.76Å; L498-Y520 VanDerWaalsContact N-O 3.16Å; L498-Y520 PolarHBondContact O-N 3.49Å; Y520-P522 HydrophobicContact CD1-CB 4.39Å; Y520-P522 HydrophobicContact CD1-CG 3.79Å; Y520-P522 VanDerWaalsContact CE1-CA 3.49Å; Y520-P522 HydrophobicContact CE1-CB 3.94Å; Y520-P522 HydrophobicContact CE1-CG 3.84Å; Y520-P522 WeakPolarHBondContact O-CD 3.48Å; Y520-D525 WeakPolarHBondContact CE2-OD1 3.36Å; Y520-D525 PolarHBondContact OH-OD1 2.8Å; Y520-Q526 WeakPolarHBondContact CA-O 3.25Å; Y520-Q526 WeakPolarHBondContact CD2-O 3.27Å; Y520-W527 AromaticContact CD2-CD1 3.82Å; Y520-W527 AromaticContact CD2-CD2 3.93Å; Y520-W527 HydrophobicContact CD2-CD2 3.93Å; Y520-W527 AromaticContact CD2-CE2 3.63Å; Y520-W527 HydrophobicContact CD2-CG 4.05Å; Y520-W527 HydrophobicContact CD2-CZ2 4.17Å; Y520-W527 AromaticContact CD2-NE1 3.53Å; Y520-W527 HydrophobicContact CG-CD2 4.24Å; Y520-W527 AromaticContact CG-CE2 3.96Å; Y520-W527 HydrophobicContact CG-CH2 4.45Å; Y520-W527 HydrophobicContact CG-CZ2 4.08Å
521D97.8Very high95.9Very high28 Ų2855.2 Ų55.215%0.1528%0.279CS..EExtended strand (participates in β ladder)trans-101.4105.4169.2-167.1-43.4000109.5R497 K523 A524 D525 Q526R497-D521 IonicContact CZ-OD2 3.78Å; R497-D521 IonicContact NH1-OD2 3.73Å; R497-D521 PolarHBondContact NH1-OD2 2.99Å; R497-D521 IonicContact NH2-OD2 2.72Å; R497-D521 PolarHBondContact NH2-OD2 3.04Å; D521-K523 PolarHBondContact O-N 3.02Å; D521-K523 WeakPolarHBondContact OD1-CB 3.45Å; D521-K523 PolarHBondContact OD1-N 2.87Å; D521-A524 HydrophobicContact CB-CB 4.08Å; D521-A524 PolarHBondContact O-N 2.95Å; D521-A524 PolarHBondContact OD1-N 2.8Å; D521-A524 VanDerWaalsContact OD1-N 3.14Å; D521-D525 WeakPolarHBondContact O-CA 3.46Å; D521-D525 PolarHBondContact O-N 2.96Å; D521-Q526 PolarHBondContact N-O 2.98Å; D521-Q526 PolarHBondContact O-N 3.19Å
522P96.8Very high96Very high19 Ų1954.1 Ų54.112%0.12328%0.277CS..THydrogen-bonded Turntrans-63.8-21.9-179.8-25.437.2000114.6L498 Y520L498-P522 HydrophobicContact CG-CG 4.43Å; Y520-P522 HydrophobicContact CD1-CB 4.39Å; Y520-P522 HydrophobicContact CD1-CG 3.79Å; Y520-P522 VanDerWaalsContact CE1-CA 3.49Å; Y520-P522 HydrophobicContact CE1-CB 3.94Å; Y520-P522 HydrophobicContact CE1-CG 3.84Å; Y520-P522 WeakPolarHBondContact O-CD 3.48Å
523K96Very high96.1Very high160 Ų16054 Ų5470%0.69628%0.281SS*.THydrogen-bonded Turntrans-80.4-40.3178.9-64174.3-174.6160.20110.9D496 D521D496-K523 IonicContact OD2-NZ 3.75Å; D496-K523 PolarHBondContact OD2-NZ 2.93Å; D521-K523 PolarHBondContact O-N 3.02Å; D521-K523 WeakPolarHBondContact OD1-CB 3.45Å; D521-K523 PolarHBondContact OD1-N 2.87Å
524A97.3Very high96Very high50 Ų5053.1 Ų53.141%0.41328%0.276SS..THydrogen-bonded Turntrans-87.5-14.1178.600000113.9D521 Q526D521-A524 HydrophobicContact CB-CB 4.08Å; D521-A524 PolarHBondContact O-N 2.95Å; D521-A524 PolarHBondContact OD1-N 2.8Å; D521-A524 VanDerWaalsContact OD1-N 3.14Å; A524-Q526 VanDerWaalsContact C-N 3.35Å; A524-Q526 HydrophobicContact CB-CB 4.36Å; A524-Q526 HydrophobicContact CB-CG 4.47Å
525D98Very high95.8Very high52 Ų5257 Ų5728%0.27830%0.296SS..THydrogen-bonded Turntrans53.848.5-171.1-161.410.9000112.2Q480 Y520 D521Q480-D525 WeakPolarHBondContact CB-O 3.08Å; Q480-D525 VanDerWaalsContact CB-OD1 3.3Å; Q480-D525 WeakPolarHBondContact CB-OD1 3.21Å; Q480-D525 PolarHBondContact N-OD1 2.87Å; Y520-D525 WeakPolarHBondContact CE2-OD1 3.36Å; Y520-D525 PolarHBondContact OH-OD1 2.8Å; D521-D525 WeakPolarHBondContact O-CA 3.46Å; D521-D525 PolarHBondContact O-N 2.96Å
526Q98Very high95.5Very high114 Ų11456.7 Ų56.753%0.53329%0.294SS..EExtended strand (participates in β ladder)trans-139.1146.3-174.7-73.5177.49.500112.4Y520 D521 A524Y520-Q526 WeakPolarHBondContact CA-O 3.25Å; Y520-Q526 WeakPolarHBondContact CD2-O 3.27Å; D521-Q526 PolarHBondContact N-O 2.98Å; D521-Q526 PolarHBondContact O-N 3.19Å; A524-Q526 VanDerWaalsContact C-N 3.35Å; A524-Q526 HydrophobicContact CB-CB 4.36Å; A524-Q526 HydrophobicContact CB-CG 4.47Å
527W98.3Very high95.3Very high21 Ų2153.1 Ų53.18%0.0828%0.275CS..EExtended strand (participates in β ladder)trans-101.5133.8173.4-70.694.4000111L466 Q480 M482 N483 L491 A500 E518 Y520L466-W527 HydrophobicContact CD1-CZ2 4.2Å; L466-W527 HydrophobicContact CD2-CZ2 3.86Å; L466-W527 HydrophobicContact CG-CZ2 4.47Å; Q480-W527 PolarHBondContact O-NE1 3.27Å; M482-W527 HydrophobicContact CG-CD2 4.07Å; M482-W527 HydrophobicContact CG-CE3 4.37Å; M482-W527 HydrophobicContact CG-CH2 3.68Å; M482-W527 HydrophobicContact CG-CZ2 3.31Å; M482-W527 HydrophobicContact CG-CZ3 4.2Å; M482-W527 HydrophobicContact SD-CH2 4.06Å; M482-W527 HydrophobicContact SD-CZ2 4.21Å; N483-W527 WeakPolarHBondContact ND2-CB 3.29Å; L491-W527 HydrophobicContact CD1-CH2 4.03Å; A500-W527 HydrophobicContact CB-CH2 3.89Å; A500-W527 HydrophobicContact CB-CZ3 3.68Å; E518-W527 HydrophobicContact CB-CE3 3.56Å; E518-W527 HydrophobicContact CB-CZ3 3.93Å; Y520-W527 AromaticContact CD2-CD1 3.82Å; Y520-W527 AromaticContact CD2-CD2 3.93Å; Y520-W527 HydrophobicContact CD2-CD2 3.93Å; Y520-W527 AromaticContact CD2-CE2 3.63Å; Y520-W527 HydrophobicContact CD2-CG 4.05Å; Y520-W527 HydrophobicContact CD2-CZ2 4.17Å; Y520-W527 AromaticContact CD2-NE1 3.53Å; Y520-W527 HydrophobicContact CG-CD2 4.24Å; Y520-W527 AromaticContact CG-CE2 3.96Å; Y520-W527 HydrophobicContact CG-CH2 4.45Å; Y520-W527 HydrophobicContact CG-CZ2 4.08Å
528N96.4Very high95.2Very high84 Ų8453.1 Ų53.145%0.44928%0.275SS..EExtended strand (participates in β ladder)trans-114.1137.4171.2-65.5-68.8000109.8E518 C519E518-N528 CarbonylContact C-O 3.54Å; E518-N528 WeakPolarHBondContact CA-O 3.47Å; C519-N528 PolarHBondContact N-O 3.15Å; C519-N528 PolarHBondContact O-N 2.63Å
529I96.4Very high95.1Very high87 Ų8753.3 Ų53.345%0.44628%0.277SS..EExtended strand (participates in β ladder)trans-85.2125.9173.3-59.3174.4000108.1L516 E518L516-I529 HydrophobicContact CD2-CG2 4.08Å; E518-I529 HydrophobicContact CG-CG1 4.41Å
530L94.4Very high94.9Very high36 Ų3653.6 Ų53.619%0.18828%0.28CS..  trans-75143.2175.9-56.1-173000110.1Y499 V517 C519 T532 Y570Y499-L530 HydrophobicContact CD1-CD1 3.96Å; Y499-L530 HydrophobicContact CE1-CD1 3.98Å; V517-L530 HydrophobicContact CB-CB 4.32Å; V517-L530 HydrophobicContact CB-CD1 4.2Å; V517-L530 HydrophobicContact CB-CG 4.43Å; V517-L530 HydrophobicContact CG1-CD1 3.58Å; V517-L530 HydrophobicContact CG1-CG 4.15Å; V517-L530 PolarHBondContact O-N 2.68Å; C519-L530 HydrophobicContact CB-CD1 4.47Å; C519-L530 HydrophobicContact CB-CD2 3.78Å; C519-L530 HydrophobicContact CB-CG 4.18Å; L530-T532 PolarHBondContact O-N 2.84Å; L530-Y570 HydrophobicContact CD1-CE1 4.05Å; L530-Y570 WeakPolarHBondContact CD1-OH 3.4Å
531Q89.9Confident94.8Very high198 Ų19854 Ų5493%0.92528%0.283SS*.SBendtrans-69.1-20179.2-67.3-173.5-12.100112.9P533Q531-P533 VanDerWaalsContact O-CD 3.3Å; Q531-P533 WeakPolarHBondContact O-CD 3.32Å
532T91.6Very high94.8Very high44 Ų4452.7 Ų52.727%0.2728%0.277SS..SBendtrans-100.4102.2-179.753.30000111.1L530 G575L530-T532 PolarHBondContact O-N 2.84Å; T532-G575 WeakPolarHBondContact CG2-O 3.19Å; T532-G575 PolarHBondContact OG1-O 3.31Å
533P93.3Very high94.8Very high68 Ų6853.4 Ų53.444%0.44228%0.281SS..  trans-66.4162.1174.230.5-35.3000110.8M515 Q531 W577M515-P533 HydrophobicContact CB-CB 4.43Å; M515-P533 WeakPolarHBondContact O-CA 3.34Å; M515-P533 WeakPolarHBondContact O-CB 3.39Å; Q531-P533 VanDerWaalsContact O-CD 3.3Å; Q531-P533 WeakPolarHBondContact O-CD 3.32Å; P533-W577 PolarHBondContact O-NE1 3.07Å
534I95Very high94.9Very high3 Ų346.3 Ų46.32%0.01525%0.252CS..  trans-59.8147.8168.8-166.7176.1000110I501 M515 V517 E536 R538 L552 I568 W577I501-I534 HydrophobicContact CG2-CD1 3.86Å; I501-I534 HydrophobicContact CG2-CG1 4.49Å; M515-I534 HydrophobicContact CB-CG2 4.4Å; M515-I534 HydrophobicContact CE-CG2 3.66Å; M515-I534 WeakPolarHBondContact CE-O 3.46Å; M515-I534 PolarHBondContact O-N 3.06Å; M515-I534 VanDerWaalsContact O-N 3.12Å; M515-I534 HydrophobicContact SD-CG2 3.9Å; V517-I534 HydrophobicContact CG2-CB 4.45Å; I534-E536 VanDerWaalsContact C-N 3.32Å; I534-E536 WeakPolarHBondContact CD1-O 3.39Å; I534-E536 WeakPolarHBondContact CG2-O 3.21Å; I534-E536 PolarHBondContact O-N 3.19Å; I534-R538 HydrophobicContact CD1-CB 4.28Å; I534-R538 HydrophobicContact CD1-CG 4.46Å; I534-L552 HydrophobicContact CD1-CD1 3.73Å; I534-I568 HydrophobicContact CD1-CD1 3.94Å; I534-I568 HydrophobicContact CG1-CD1 3.65Å; I534-W577 HydrophobicContact CB-CZ2 4.22Å; I534-W577 HydrophobicContact CG1-CH2 4.12Å; I534-W577 HydrophobicContact CG1-CZ2 4.13Å; I534-W577 HydrophobicContact CG1-CZ3 4.37Å
535L90.9Very high94.8Very high85 Ų8546.7 Ų46.745%0.44525%0.25SC..SBendtrans-61.6-40-177.3-64.7175.9000112.6I568 W577L535-I568 HydrophobicContact CD1-CB 4.39Å; L535-I568 HydrophobicContact CD1-CG2 3.94Å; L535-W577 HydrophobicContact CD1-CB 3.83Å; L535-W577 HydrophobicContact CD2-CB 3.83Å; L535-W577 HydrophobicContact CG-CB 3.59Å; L535-W577 HydrophobicContact CG-CG 4.17Å
536E89.5Confident94.6Very high59 Ų5945 Ų4528%0.27624%0.241SC..SBendtrans-145.5152.5-177.3-60.6-170.6137.100111I534 R538 K564I534-E536 VanDerWaalsContact C-N 3.32Å; I534-E536 WeakPolarHBondContact CD1-O 3.39Å; I534-E536 WeakPolarHBondContact CG2-O 3.21Å; I534-E536 PolarHBondContact O-N 3.19Å; E536-R538 PolarHBondContact O-N 2.97Å; E536-K564 IonicContact OE1-NZ 2.62Å; E536-K564 PolarHBondContact OE1-NZ 3.27Å; E536-K564 WeakPolarHBondContact OE2-CE 3.33Å; E536-K564 IonicContact OE2-NZ 3.86Å; E536-K564 PolarHBondContact OE2-NZ 3.24Å
537G92Very high94.3Very high2 Ų245.8 Ų45.82%0.02125%0.248CC..  trans-62.1125.3176.700000111.9M515 S557M515-G537 VanDerWaalsContact SD-CA 3.56Å; M515-G537 PolarHBondContact SD-N 3.17Å; M515-G537 VanDerWaalsContact SD-N 3.42Å; G537-S557 VanDerWaalsContact O-CA 3.3Å; G537-S557 WeakPolarHBondContact O-CA 3.09Å; G537-S557 WeakPolarHBondContact O-CB 3.45Å
538R94.2Very high93.9Very high0 Ų050.1 Ų50.10%027%0.273CS..  trans-138.2108.7-179-70.1-174177-148.23.1111.5G503 I534 E536 P541 L552 G554 S566G503-R538 PolarHBondContact N-O 2.94Å; I534-R538 HydrophobicContact CD1-CB 4.28Å; I534-R538 HydrophobicContact CD1-CG 4.46Å; E536-R538 PolarHBondContact O-N 2.97Å; R538-P541 HydrophobicContact CB-CB 4.28Å; R538-P541 HydrophobicContact CB-CG 4.08Å; R538-L552 PolarHBondContact NH1-O 2.72Å; R538-G554 WeakPolarHBondContact CD-O 3.17Å; R538-G554 PolarHBondContact NH1-O 3.37Å; R538-G554 VanDerWaalsContact NH1-O 3.11Å; R538-S566 PolarHBondContact NH1-O 2.89Å; R538-S566 PolarHBondContact NH2-O 2.94Å; R538-S566 PolarHBondContact NH2-OG 3.36Å
539S94.9Very high93.9Very high5 Ų547 Ų474%0.03526%0.258CS..BIsolated β-bridgetrans-96.2128166.4-62.40000110.4N504 P541 G555 Y556 W558N504-S539 WeakPolarHBondContact CB-OG 3.47Å; S539-P541 VanDerWaalsContact C-CD 3.45Å; S539-G555 CarbonylContact O-C 3.51Å; S539-G555 VanDerWaalsContact O-CA 3.3Å; S539-G555 WeakPolarHBondContact O-CA 3.39Å; S539-Y556 PolarHBondContact N-O 2.95Å; S539-Y556 PolarHBondContact O-N 3.36Å; S539-W558 VanDerWaalsContact OG-CD1 3.24Å; S539-W558 PolarHBondContact OG-NE1 2.96Å
540G93.9Very high93.9Very high10 Ų1042.9 Ų42.910%0.10324%0.237CC..SBendtrans58.244.5-178.300000114.8I488 G590 P591I488-G540 PolarHBondContact O-N 2.97Å; G540-G590 WeakPolarHBondContact O-CA 3.45Å; G540-G590 PolarHBondContact O-N 3.19Å; G540-P591 WeakPolarHBondContact O-CD 3.44Å
541P97.1Very high94.1Very high9 Ų942.3 Ų42.36%0.05823%0.233CC..  trans-67.515016632.9-34000109.7V490 R538 S539 L552V490-P541 HydrophobicContact CG2-CG 3.83Å; R538-P541 HydrophobicContact CB-CB 4.28Å; R538-P541 HydrophobicContact CB-CG 4.08Å; S539-P541 VanDerWaalsContact C-CD 3.45Å; P541-L552 HydrophobicContact CB-CB 4.2Å; P541-L552 HydrophobicContact CB-CD2 4.46Å; P541-L552 HydrophobicContact CG-CD2 4.13Å
542G96.8Very high94.5Very high1 Ų132.9 Ų32.91%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-67.6139.6161.800000109L552 V553 P591 C593G542-L552 CarbonylContact O-C 3.58Å; G542-L552 VanDerWaalsContact O-CA 3.31Å; G542-L552 WeakPolarHBondContact O-CA 3.48Å; G542-V553 PolarHBondContact N-O 3.02Å; G542-V553 PolarHBondContact O-N 3.44Å; G542-P591 WeakPolarHBondContact CA-O 3.28Å; G542-C593 VanDerWaalsContact C-SG 3.56Å; G542-C593 VanDerWaalsContact CA-SG 3.58Å
543C97.3Very high94.7Very high33 Ų3330.8 Ų30.822%0.22318%0.176CC..EExtended strand (participates in β ladder)trans-126.2136.9178.5176.30000112.1V490 F551 L552 C593V490-C543 HydrophobicContact CB-CB 4.25Å; V490-C543 HydrophobicContact CG1-CB 3.5Å; V490-C543 VanDerWaalsContact CG1-CB 3.5Å; V490-C543 WeakPolarHBondContact CG1-SG 3.19Å; V490-C543 HydrophobicContact CG2-CB 3.67Å; C543-F551 VanDerWaalsContact CA-O 3.29Å; C543-F551 WeakPolarHBondContact CA-O 3.36Å; C543-L552 HydrophobicContact CB-CD2 3.83Å; C543-C593 VanDerWaalsContact C-CB 3.48Å; C543-C593 WeakPolarHBondContact O-CB 3.35Å
544A97.3Very high94.8Very high11 Ų1127.6 Ų27.69%0.09116%0.155CC..EExtended strand (participates in β ladder)trans-145.4152.8166.900000111L301 F551 C593 T595L301-A544 HydrophobicContact CD1-CB 3.65Å; A544-F551 PolarHBondContact N-O 2.83Å; A544-F551 VanDerWaalsContact N-O 3.11Å; A544-F551 PolarHBondContact O-N 2.89Å; A544-C593 HydrophobicContact CB-CB 3.95Å; A544-T595 HydrophobicContact CB-CG2 4.05Å
545V95.8Very high94.8Very high58 Ų5827.5 Ų27.535%0.35216%0.155SC..EExtended strand (participates in β ladder)trans-98.6128.8170.9176.90000108.6M494 S549 I550M494-V545 HydrophobicContact CG-CG1 4.38Å; M494-V545 HydrophobicContact SD-CG1 3.46Å; M494-V545 WeakPolarHBondContact SD-CG1 3.34Å; M494-V545 HydrophobicContact SD-CG2 4.45Å; V545-S549 WeakPolarHBondContact CA-O 3.29Å; V545-I550 HydrophobicContact CG2-CG1 4.15Å
546L94.5Very high95Very high17 Ų1725.8 Ų25.89%0.08914%0.143CC..EExtended strand (participates in β ladder)trans-145.4133.3178.4178.663.1000108.5R299 L301 D548 S549 F551 T595R299-L546 HydrophobicContact CB-CD1 3.91Å; R299-L546 HydrophobicContact CG-CD1 3.58Å; L301-L546 HydrophobicContact CB-CD2 4.19Å; L546-D548 VanDerWaalsContact C-N 3.35Å; L546-D548 PolarHBondContact O-N 3.09Å; L546-S549 PolarHBondContact N-O 2.8Å; L546-S549 PolarHBondContact O-N 3.06Å; L546-S549 VanDerWaalsContact O-O 3.13Å; L546-F551 HydrophobicContact CB-CD2 3.9Å; L546-F551 HydrophobicContact CB-CE2 3.71Å; L546-F551 HydrophobicContact CD2-CE2 4.43Å; L546-F551 HydrophobicContact CG-CE2 4.36Å; L546-F551 WeakPolarHBondContact O-CE2 3.3Å; L546-T595 HydrophobicContact CB-CG2 4.07Å; L546-T595 HydrophobicContact CD1-CG2 4.21Å
547D90.1Very high95.2Very high130 Ų13023 Ų2370%0.69513%0.13SC*.THydrogen-bonded Turntrans44.755175.7-54.1-28.7000113.4S549D547-S549 PolarHBondContact O-N 2.84Å; D547-S549 VanDerWaalsContact O-N 3.09Å; D547-S549 PolarHBondContact O-OG 3.44Å
548D91.2Very high95.2Very high112 Ų11227 Ų2760%0.59914%0.144SC*.THydrogen-bonded Turntrans57.124179.9-57.1-44.5000115.4M494 L546M494-D548 WeakPolarHBondContact CE-O 3.34Å; L546-D548 VanDerWaalsContact C-N 3.35Å; L546-D548 PolarHBondContact O-N 3.09Å
549S95.8Very high95Very high19 Ų1931.6 Ų31.613%0.13318%0.176CC..EExtended strand (participates in β ladder)trans-130147.3178.3-59.90000111.7V545 L546 D547 Y570V545-S549 WeakPolarHBondContact CA-O 3.29Å; L546-S549 PolarHBondContact N-O 2.8Å; L546-S549 PolarHBondContact O-N 3.06Å; L546-S549 VanDerWaalsContact O-O 3.13Å; D547-S549 PolarHBondContact O-N 2.84Å; D547-S549 VanDerWaalsContact O-N 3.09Å; D547-S549 PolarHBondContact O-OG 3.44Å; S549-Y570 WeakPolarHBondContact CA-O 3.23Å
550I97.4Very high94.8Very high0 Ų036.9 Ų36.90%020%0.202CC..EExtended strand (participates in β ladder)trans-97.7116.3177-62.1161.7000108.2A492 M494 Y499 I501 V545 C569 Y570A492-I550 HydrophobicContact CB-CD1 3.75Å; A492-I550 HydrophobicContact CB-CG1 3.97Å; A492-I550 HydrophobicContact CB-CG2 3.95Å; M494-I550 HydrophobicContact CE-CD1 4.07Å; M494-I550 HydrophobicContact CE-CG1 3.78Å; M494-I550 HydrophobicContact SD-CG1 4.23Å; Y499-I550 HydrophobicContact CD2-CD1 3.88Å; Y499-I550 HydrophobicContact CG-CD1 4Å; I501-I550 HydrophobicContact CD1-CD1 4.19Å; I501-I550 HydrophobicContact CD1-CG2 4.02Å; V545-I550 HydrophobicContact CG2-CG1 4.15Å; I550-C569 CarbonylContact O-C 3.55Å; I550-C569 WeakPolarHBondContact O-CA 3.23Å; I550-Y570 HydrophobicContact CD1-CD1 4.38Å; I550-Y570 PolarHBondContact N-O 3.3Å; I550-Y570 PolarHBondContact O-N 3.08Å
551F97.6Very high94.6Very high25 Ų2538.5 Ų38.511%0.1122%0.218CC..EExtended strand (participates in β ladder)trans-97.9134.6178.3-70.3-99.6000110.7L301 C543 A544 L546 T567 C569 L580L301-F551 HydrophobicContact CD1-CB 4.11Å; L301-F551 HydrophobicContact CD2-CB 3.94Å; L301-F551 HydrophobicContact CD2-CD1 3.83Å; L301-F551 HydrophobicContact CD2-CG 4.02Å; C543-F551 VanDerWaalsContact CA-O 3.29Å; C543-F551 WeakPolarHBondContact CA-O 3.36Å; A544-F551 PolarHBondContact N-O 2.83Å; A544-F551 VanDerWaalsContact N-O 3.11Å; A544-F551 PolarHBondContact O-N 2.89Å; L546-F551 HydrophobicContact CB-CD2 3.9Å; L546-F551 HydrophobicContact CB-CE2 3.71Å; L546-F551 HydrophobicContact CD2-CE2 4.43Å; L546-F551 HydrophobicContact CG-CE2 4.36Å; L546-F551 WeakPolarHBondContact O-CE2 3.3Å; F551-T567 HydrophobicContact CD1-CG2 4.14Å; F551-C569 HydrophobicContact CD1-CB 3.56Å; F551-C569 HydrophobicContact CD2-CB 4.29Å; F551-C569 HydrophobicContact CE1-CB 3.59Å; F551-C569 HydrophobicContact CE2-CB 4.31Å; F551-C569 HydrophobicContact CG-CB 3.92Å; F551-C569 HydrophobicContact CZ-CB 3.99Å; F551-L580 HydrophobicContact CD1-CD1 4.37Å; F551-L580 HydrophobicContact CD1-CD2 4.15Å; F551-L580 HydrophobicContact CE1-CD1 3.9Å; F551-L580 HydrophobicContact CE1-CD2 3.67Å; F551-L580 HydrophobicContact CE1-CG 4.45Å
552L97.7Very high94.3Very high0 Ų039.7 Ų39.70%023%0.229CC..EExtended strand (participates in β ladder)trans-118.9125.8171.8-58.4-178.9000109.6V490 I501 I534 R538 P541 G542 C543 T567 I568 W577V490-L552 HydrophobicContact CB-CD2 4.36Å; V490-L552 HydrophobicContact CG1-CD2 4.24Å; V490-L552 HydrophobicContact CG2-CD2 3.98Å; I501-L552 HydrophobicContact CG2-CD1 3.68Å; I534-L552 HydrophobicContact CD1-CD1 3.73Å; R538-L552 PolarHBondContact NH1-O 2.72Å; P541-L552 HydrophobicContact CB-CB 4.2Å; P541-L552 HydrophobicContact CB-CD2 4.46Å; P541-L552 HydrophobicContact CG-CD2 4.13Å; G542-L552 CarbonylContact O-C 3.58Å; G542-L552 VanDerWaalsContact O-CA 3.31Å; G542-L552 WeakPolarHBondContact O-CA 3.48Å; C543-L552 HydrophobicContact CB-CD2 3.83Å; L552-T567 WeakPolarHBondContact O-CA 3.4Å; L552-I568 HydrophobicContact CB-CD1 4.47Å; L552-I568 HydrophobicContact CB-CG1 3.85Å; L552-I568 HydrophobicContact CD1-CD1 4.28Å; L552-I568 HydrophobicContact CD1-CG1 4.42Å; L552-I568 PolarHBondContact N-O 2.87Å; L552-I568 PolarHBondContact O-N 3.33Å; L552-W577 HydrophobicContact CD1-CH2 3.81Å; L552-W577 HydrophobicContact CD1-CZ3 3.95Å; L552-W577 HydrophobicContact CG-CZ3 4.41Å
553V97Very high94.1Very high0 Ų042.2 Ų42.20%024%0.239CC..EExtended strand (participates in β ladder)trans-123.2128.1-177.2-171.20000109.3L301 L303 W329 G542 T567 V584L301-V553 HydrophobicContact CD2-CG2 3.9Å; L303-V553 HydrophobicContact CD1-CB 3.94Å; L303-V553 HydrophobicContact CD1-CG1 3.72Å; L303-V553 HydrophobicContact CD2-CG1 3.89Å; L303-V553 HydrophobicContact CG-CG1 4.29Å; W329-V553 HydrophobicContact CH2-CG1 4.03Å; W329-V553 HydrophobicContact CH2-CG2 3.98Å; W329-V553 HydrophobicContact CZ2-CB 4.43Å; W329-V553 HydrophobicContact CZ2-CG1 3.68Å; W329-V553 HydrophobicContact CZ2-CG2 3.81Å; G542-V553 PolarHBondContact N-O 3.02Å; G542-V553 PolarHBondContact O-N 3.44Å; V553-T567 HydrophobicContact CG2-CG2 3.89Å; V553-V584 HydrophobicContact CG1-CG1 3.68Å
554G95.1Very high93.9Very high1 Ų141.4 Ų41.41%0.0123%0.232CC..  trans64.7-147.5-177.800000114.2R538 K564 S566R538-G554 WeakPolarHBondContact CD-O 3.17Å; R538-G554 PolarHBondContact NH1-O 3.37Å; R538-G554 VanDerWaalsContact NH1-O 3.11Å; G554-K564 VanDerWaalsContact CA-O 3.23Å; G554-K564 WeakPolarHBondContact CA-O 3.1Å; G554-S566 PolarHBondContact N-O 3.06Å
555G94.9Very high93.6Very high0 Ų041.8 Ų41.80%023%0.234CC..  trans103.6175.8-172.900000112.9S539 K564 L588S539-G555 CarbonylContact O-C 3.51Å; S539-G555 VanDerWaalsContact O-CA 3.3Å; S539-G555 WeakPolarHBondContact O-CA 3.39Å; G555-K564 PolarHBondContact O-N 2.92Å; G555-L588 PolarHBondContact N-O 3.46Å
556Y94.6Very high93.5Very high50 Ų5039.6 Ų39.620%0.19622%0.221CC..EExtended strand (participates in β ladder)trans-114.9132.2176.8-172.8-99.2000111.1S539 W558 G561 Y563S539-Y556 PolarHBondContact N-O 2.95Å; S539-Y556 PolarHBondContact O-N 3.36Å; Y556-W558 AromaticContact CD1-CD2 3.88Å; Y556-W558 HydrophobicContact CD1-CD2 3.88Å; Y556-W558 AromaticContact CD1-CE2 3.87Å; Y556-W558 HydrophobicContact CD1-CE3 4.38Å; Y556-W558 HydrophobicContact CD1-CG 4.08Å; Y556-W558 HydrophobicContact CD1-CZ2 4.42Å; Y556-W558 AromaticContact CD1-NE1 3.95Å; Y556-W558 AromaticContact CE1-CD2 3.73Å; Y556-W558 HydrophobicContact CE1-CD2 3.73Å; Y556-W558 AromaticContact CE1-CE3 3.78Å; Y556-W558 HydrophobicContact CE1-CE3 3.78Å; Y556-W558 HydrophobicContact CE1-CG 4.13Å; Y556-W558 HydrophobicContact CE1-CZ3 4.26Å; Y556-G561 VanDerWaalsContact OH-CA 3.28Å; Y556-G561 WeakPolarHBondContact OH-CA 3.48Å; Y556-G561 PolarHBondContact OH-O 3.37Å; Y556-Y563 HydrophobicContact CD2-CD1 4.22Å; Y556-Y563 AromaticContact CD2-CD2 3.74Å; Y556-Y563 HydrophobicContact CD2-CD2 3.74Å; Y556-Y563 HydrophobicContact CD2-CE1 4.3Å; Y556-Y563 AromaticContact CD2-CE2 3.82Å; Y556-Y563 HydrophobicContact CD2-CE2 3.82Å; Y556-Y563 AromaticContact CD2-CG 3.93Å; Y556-Y563 HydrophobicContact CD2-CG 3.93Å; Y556-Y563 AromaticContact CE2-CD2 3.86Å; Y556-Y563 HydrophobicContact CE2-CD2 3.86Å; Y556-Y563 AromaticContact CE2-CE2 3.78Å; Y556-Y563 HydrophobicContact CE2-CE2 3.78Å; Y556-Y563 HydrophobicContact CE2-CG 4.5Å
557S94.6Very high93.6Very high0 Ų038.8 Ų38.80%022%0.217CC..EExtended strand (participates in β ladder)trans-97.4117.8171.5174.30000109.6D513 G537 S559 M560 G561 A562D513-S557 PolarHBondContact OD2-OG 3.47Å; G537-S557 VanDerWaalsContact O-CA 3.3Å; G537-S557 WeakPolarHBondContact O-CA 3.09Å; G537-S557 WeakPolarHBondContact O-CB 3.45Å; S557-S559 PolarHBondContact OG-OG 3.36Å; S557-M560 WeakPolarHBondContact OG-CB 3.3Å; S557-M560 WeakPolarHBondContact OG-CG 3.47Å; S557-M560 PolarHBondContact OG-N 3.23Å; S557-G561 WeakPolarHBondContact O-CA 3.32Å; S557-G561 PolarHBondContact O-N 3.35Å; S557-A562 PolarHBondContact O-N 2.91Å; S557-A562 PolarHBondContact N-O 3.1Å; S557-A562 VanDerWaalsContact O-N 3.12Å
558W92.6Very high93.9Very high86 Ų8632.7 Ų32.733%0.32618%0.184SC..THydrogen-bonded Turntrans-73.1-37.9178-69.993000112.5N504 H511 D513 S539 Y556 M560 G561N504-W558 WeakPolarHBondContact ND2-CZ2 3.29Å; N504-W558 PolarHBondContact ND2-NE1 2.8Å; H511-W558 HydrophobicContact CB-CB 4.25Å; H511-W558 HydrophobicContact CB-CD2 3.34Å; H511-W558 HydrophobicContact CB-CE3 3.34Å; H511-W558 HydrophobicContact CB-CG 3.75Å; H511-W558 HydrophobicContact CB-CH2 4.2Å; H511-W558 HydrophobicContact CB-CZ2 4.23Å; H511-W558 HydrophobicContact CB-CZ3 3.79Å; H511-W558 AromaticContact CD2-CE3 3.84Å; H511-W558 AromaticContact CD2-CH2 3.4Å; H511-W558 VanDerWaalsContact CD2-CH2 3.4Å; H511-W558 WeakPolarHBondContact CD2-CH2 3.2Å; H511-W558 AromaticContact CD2-CZ3 3.29Å; H511-W558 WeakPolarHBondContact CD2-CZ3 3.48Å; H511-W558 AromaticContact CE1-CH2 3.99Å; H511-W558 AromaticContact CG-CD2 3.87Å; H511-W558 AromaticContact CG-CE2 3.93Å; H511-W558 AromaticContact CG-CE3 3.71Å; H511-W558 AromaticContact CG-CH2 3.63Å; H511-W558 AromaticContact CG-CZ2 3.83Å; H511-W558 AromaticContact CG-CZ3 3.59Å; H511-W558 AromaticContact ND1-CH2 4Å; H511-W558 AromaticContact ND1-CZ2 3.89Å; H511-W558 AromaticContact NE2-CH2 3.66Å; D513-W558 PolarHBondContact OD1-N 2.93Å; D513-W558 PolarHBondContact OD2-N 2.63Å; D513-W558 VanDerWaalsContact OD2-N 3.14Å; S539-W558 VanDerWaalsContact OG-CD1 3.24Å; S539-W558 PolarHBondContact OG-NE1 2.96Å; Y556-W558 AromaticContact CD1-CD2 3.88Å; Y556-W558 HydrophobicContact CD1-CD2 3.88Å; Y556-W558 AromaticContact CD1-CE2 3.87Å; Y556-W558 HydrophobicContact CD1-CE3 4.38Å; Y556-W558 HydrophobicContact CD1-CG 4.08Å; Y556-W558 HydrophobicContact CD1-CZ2 4.42Å; Y556-W558 AromaticContact CD1-NE1 3.95Å; Y556-W558 AromaticContact CE1-CD2 3.73Å; Y556-W558 HydrophobicContact CE1-CD2 3.73Å; Y556-W558 AromaticContact CE1-CE3 3.78Å; Y556-W558 HydrophobicContact CE1-CE3 3.78Å; Y556-W558 HydrophobicContact CE1-CG 4.13Å; Y556-W558 HydrophobicContact CE1-CZ3 4.26Å; W558-M560 VanDerWaalsContact C-N 3.29Å; W558-M560 PolarHBondContact O-N 2.87Å; W558-G561 PolarHBondContact O-N 3.25Å
559S89.4Confident94.1Very high96 Ų9627.8 Ų27.867%0.67116%0.159SC*.THydrogen-bonded Turntrans-63.3-35.2176.551.90000112.6D513 S557D513-S559 VanDerWaalsContact OD2-CB 3.29Å; D513-S559 WeakPolarHBondContact OD2-CB 3.43Å; D513-S559 PolarHBondContact OD2-N 2.95Å; D513-S559 PolarHBondContact OD2-OG 3.5Å; S557-S559 PolarHBondContact OG-OG 3.36Å
560M89.6Confident94.1Very high116 Ų11627.4 Ų27.457%0.57115%0.154SC*.THydrogen-bonded Turntrans-94.5-11177.5-60-175.271.100113.8S557 W558 A562 K564S557-M560 WeakPolarHBondContact OG-CB 3.3Å; S557-M560 WeakPolarHBondContact OG-CG 3.47Å; S557-M560 PolarHBondContact OG-N 3.23Å; W558-M560 VanDerWaalsContact C-N 3.29Å; W558-M560 PolarHBondContact O-N 2.87Å; M560-A562 HydrophobicContact CB-CB 4.21Å; M560-A562 PolarHBondContact O-N 3.15Å; M560-K564 PolarHBondContact SD-NZ 3.35Å
561G90.8Very high94Very high44 Ų4428 Ų2845%0.45416%0.159SC..THydrogen-bonded Turntrans62.524.9-174.500000113.9Y556 S557 W558Y556-G561 VanDerWaalsContact OH-CA 3.28Å; Y556-G561 WeakPolarHBondContact OH-CA 3.48Å; Y556-G561 PolarHBondContact OH-O 3.37Å; S557-G561 WeakPolarHBondContact O-CA 3.32Å; S557-G561 PolarHBondContact O-N 3.35Å; W558-G561 PolarHBondContact O-N 3.25Å
562A90.9Very high93.6Very high35 Ų3528 Ų2829%0.28916%0.161SC..EExtended strand (participates in β ladder)trans-131.4142.8-165.300000113.2S557 M560S557-A562 PolarHBondContact O-N 2.91Å; S557-A562 PolarHBondContact N-O 3.1Å; S557-A562 VanDerWaalsContact O-N 3.12Å; M560-A562 HydrophobicContact CB-CB 4.21Å; M560-A562 PolarHBondContact O-N 3.15Å
563Y92.3Very high93.2Very high53 Ų5336 Ų3621%0.20820%0.199CC..EExtended strand (participates in β ladder)trans-74.1145.3166.9-65.6-105.3000109.4L307 P309 Y556 A589L307-Y563 WeakPolarHBondContact O-CE1 3.24Å; P309-Y563 HydrophobicContact CB-CD2 3.8Å; P309-Y563 HydrophobicContact CB-CE2 3.97Å; P309-Y563 HydrophobicContact CB-CG 4.37Å; Y556-Y563 HydrophobicContact CD2-CD1 4.22Å; Y556-Y563 AromaticContact CD2-CD2 3.74Å; Y556-Y563 HydrophobicContact CD2-CD2 3.74Å; Y556-Y563 HydrophobicContact CD2-CE1 4.3Å; Y556-Y563 AromaticContact CD2-CE2 3.82Å; Y556-Y563 HydrophobicContact CD2-CE2 3.82Å; Y556-Y563 AromaticContact CD2-CG 3.93Å; Y556-Y563 HydrophobicContact CD2-CG 3.93Å; Y556-Y563 AromaticContact CE2-CD2 3.86Å; Y556-Y563 HydrophobicContact CE2-CD2 3.86Å; Y556-Y563 AromaticContact CE2-CE2 3.78Å; Y556-Y563 HydrophobicContact CE2-CE2 3.78Å; Y556-Y563 HydrophobicContact CE2-CG 4.5Å; Y563-A589 HydrophobicContact CD1-CB 3.68Å; Y563-A589 HydrophobicContact CE1-CB 3.55Å
564K92.8Very high92.9Very high16 Ų1643.4 Ų43.47%0.0723%0.231CC..  trans-101.4138.6-178.5-61-62.6-176.2163.80110.6E536 G554 G555 M560 P587 L588E536-K564 IonicContact OE1-NZ 2.62Å; E536-K564 PolarHBondContact OE1-NZ 3.27Å; E536-K564 WeakPolarHBondContact OE2-CE 3.33Å; E536-K564 IonicContact OE2-NZ 3.86Å; E536-K564 PolarHBondContact OE2-NZ 3.24Å; G554-K564 VanDerWaalsContact CA-O 3.23Å; G554-K564 WeakPolarHBondContact CA-O 3.1Å; G555-K564 PolarHBondContact O-N 2.92Å; M560-K564 PolarHBondContact SD-NZ 3.35Å; K564-P587 WeakPolarHBondContact O-CA 3.24Å; K564-L588 PolarHBondContact O-N 3.02Å
565S91.5Very high92.7Very high20 Ų2044.4 Ų44.414%0.1424%0.241CC..  trans-106.6-10.7170.952.10000112.5E583 V584S565-E583 VanDerWaalsContact OG-CD 3.29Å; S565-E583 PolarHBondContact OG-OE2 3.41Å; S565-E583 WeakPolarHBondContact CB-OE2 3.41Å; S565-V584 VanDerWaalsContact O-CG2 3.28Å; S565-V584 WeakPolarHBondContact O-CG2 3.36Å; S565-V584 PolarHBondContact O-N 3.03Å
566S93.4Very high92.7Very high11 Ų1147.5 Ų47.58%0.07726%0.26CS..  trans-82.1154.3-176550000113.4R538 G554 E579R538-S566 PolarHBondContact NH1-O 2.89Å; R538-S566 PolarHBondContact NH2-O 2.94Å; R538-S566 PolarHBondContact NH2-OG 3.36Å; G554-S566 PolarHBondContact N-O 3.06Å; S566-E579 WeakPolarHBondContact CB-OE1 3.45Å; S566-E579 PolarHBondContact OG-OE1 3.18Å
567T96.1Very high92.8Very high0 Ų046.3 Ų46.30%026%0.255CS..EExtended strand (participates in β ladder)trans-108.4124.6173.1-610000109L301 W329 F551 L552 V553 L580L301-T567 HydrophobicContact CD2-CG2 4.24Å; W329-T567 WeakPolarHBondContact CZ2-OG1 3.32Å; W329-T567 PolarHBondContact NE1-OG1 2.99Å; F551-T567 HydrophobicContact CD1-CG2 4.14Å; L552-T567 WeakPolarHBondContact O-CA 3.4Å; V553-T567 HydrophobicContact CG2-CG2 3.89Å; T567-L580 PolarHBondContact O-N 3.39Å; T567-L580 HydrophobicContact CG2-CG 4.44Å; T567-L580 HydrophobicContact CG2-CD2 3.98Å; T567-L580 HydrophobicContact CG2-CB 4.2Å; T567-L580 HydrophobicContact CG2-CD1 4.45Å
568I96.1Very high92.8Very high2 Ų249.7 Ų49.71%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-117.9147.2174.163.1177.2000108.9I534 L535 L552 W577 T578 E579I534-I568 HydrophobicContact CD1-CD1 3.94Å; I534-I568 HydrophobicContact CG1-CD1 3.65Å; L535-I568 HydrophobicContact CD1-CB 4.39Å; L535-I568 HydrophobicContact CD1-CG2 3.94Å; L552-I568 HydrophobicContact CB-CD1 4.47Å; L552-I568 HydrophobicContact CB-CG1 3.85Å; L552-I568 HydrophobicContact CD1-CD1 4.28Å; L552-I568 HydrophobicContact CD1-CG1 4.42Å; L552-I568 PolarHBondContact N-O 2.87Å; L552-I568 PolarHBondContact O-N 3.33Å; I568-W577 HydrophobicContact CB-CE3 4.31Å; I568-W577 HydrophobicContact CD1-CE3 3.96Å; I568-W577 HydrophobicContact CD1-CZ3 3.85Å; I568-W577 HydrophobicContact CG1-CE3 4.12Å; I568-W577 HydrophobicContact CG1-CZ3 3.94Å; I568-T578 CarbonylContact C-O 3.57Å; I568-T578 WeakPolarHBondContact CA-O 3.4Å; I568-E579 HydrophobicContact CG2-CG 4.19Å; I568-E579 HydrophobicContact CG2-CB 4.19Å
569C95.9Very high92.9Very high10 Ų1051.3 Ų51.37%0.06829%0.287CS..EExtended strand (participates in β ladder)trans-129.4147.4173.771.50000111.9I550 F551 W577 T578 L580I550-C569 CarbonylContact O-C 3.55Å; I550-C569 WeakPolarHBondContact O-CA 3.23Å; F551-C569 HydrophobicContact CD1-CB 3.56Å; F551-C569 HydrophobicContact CD2-CB 4.29Å; F551-C569 HydrophobicContact CE1-CB 3.59Å; F551-C569 HydrophobicContact CE2-CB 4.31Å; F551-C569 HydrophobicContact CG-CB 3.92Å; F551-C569 HydrophobicContact CZ-CB 3.99Å; C569-W577 CarbonylContact O-C 3.53Å; C569-W577 VanDerWaalsContact O-CA 3.31Å; C569-W577 WeakPolarHBondContact O-CA 3.44Å; C569-T578 PolarHBondContact N-O 2.98Å; C569-T578 PolarHBondContact O-N 3.14Å; C569-T578 PolarHBondContact SG-OG1 3.12Å; C569-L580 HydrophobicContact CB-CD1 4.14Å; C569-L580 VanDerWaalsContact SG-CD1 3.59Å
570Y96.6Very high93.1Very high10 Ų1048.1 Ų48.14%0.03926%0.262CS..EExtended strand (participates in β ladder)trans-111126175-178-116.7000109.5Y499 L530 S549 I550 P572 T576 W577Y499-Y570 HydrophobicContact CD1-CE1 4.29Å; Y499-Y570 HydrophobicContact CE1-CE1 4.09Å; L530-Y570 HydrophobicContact CD1-CE1 4.05Å; L530-Y570 WeakPolarHBondContact CD1-OH 3.4Å; S549-Y570 WeakPolarHBondContact CA-O 3.23Å; I550-Y570 HydrophobicContact CD1-CD1 4.38Å; I550-Y570 PolarHBondContact N-O 3.3Å; I550-Y570 PolarHBondContact O-N 3.08Å; Y570-P572 WeakPolarHBondContact O-CD 3.17Å; Y570-P572 HydrophobicContact CE1-CG 3.67Å; Y570-P572 HydrophobicContact CD1-CG 3.82Å; Y570-P572 HydrophobicContact CE1-CB 3.99Å; Y570-T576 WeakPolarHBondContact CD2-O 3.46Å; Y570-W577 AromaticContact CD2-CD1 3.84Å; Y570-W577 HydrophobicContact CG-CZ2 3.92Å; Y570-W577 AromaticContact CG-CZ2 3.92Å; Y570-W577 HydrophobicContact CG-CH2 4.27Å; Y570-W577 AromaticContact CG-CE2 3.92Å; Y570-W577 HydrophobicContact CG-CD2 4.27Å; Y570-W577 AromaticContact CD2-NE1 3.54Å; Y570-W577 HydrophobicContact CD2-CZ2 4.02Å; Y570-W577 HydrophobicContact CD2-CG 4.02Å; Y570-W577 AromaticContact CD2-CE2 3.56Å; Y570-W577 HydrophobicContact CD2-CD2 3.87Å; Y570-W577 AromaticContact CD2-CD2 3.87Å
571S94.6Very high93.1Very high14 Ų1449.3 Ų49.310%0.09827%0.266CS..EExtended strand (participates in β ladder)trans-103.5107.2171.4174.30000108.5E573 K574 G575 T576S571-E573 VanDerWaalsContact C-N 3.26Å; S571-E573 PolarHBondContact O-N 3.41Å; S571-K574 PolarHBondContact O-N 3.24Å; S571-G575 WeakPolarHBondContact O-CA 3.46Å; S571-G575 PolarHBondContact O-N 3.19Å; S571-T576 PolarHBondContact N-O 2.89Å; S571-T576 PolarHBondContact O-N 3.34Å
572P89.5Confident92.8Very high23 Ų2348.5 Ų48.515%0.14926%0.258CS..THydrogen-bonded Turntrans-66.6-27.5179-24.536000113.8M494 Y499 Y570 K574 G575M494-P572 HydrophobicContact CE-CB 4.38Å; M494-P572 HydrophobicContact CE-CG 3.14Å; Y499-P572 HydrophobicContact CE1-CG 4.47Å; Y499-P572 HydrophobicContact CE2-CG 4.46Å; Y570-P572 WeakPolarHBondContact O-CD 3.17Å; Y570-P572 HydrophobicContact CE1-CG 3.67Å; Y570-P572 HydrophobicContact CD1-CG 3.82Å; Y570-P572 HydrophobicContact CE1-CB 3.99Å; P572-K574 VanDerWaalsContact C-N 3.33Å; P572-G575 PolarHBondContact O-N 3.43Å
573E89.2Confident92.7Very high170 Ų17053.1 Ų53.179%0.79427%0.273SS*.THydrogen-bonded Turntrans-61.2-45.4174.8-172.2-167.9174.400110.7S571S571-E573 VanDerWaalsContact C-N 3.26Å; S571-E573 PolarHBondContact O-N 3.41Å
574K90.3Very high92.5Very high155 Ų15550.9 Ų50.967%0.67427%0.265SS*.THydrogen-bonded Turntrans-84.1-20.7178.8-62.4176.8-176.1172.30112.8S571 P572 T576S571-K574 PolarHBondContact O-N 3.24Å; P572-K574 VanDerWaalsContact C-N 3.33Å; K574-T576 WeakPolarHBondContact CB-OG1 3.4Å; K574-T576 PolarHBondContact O-N 3.29Å; K574-T576 VanDerWaalsContact C-N 3.25Å
575G91.4Very high91.8Very high21 Ų2154 Ų5422%0.21629%0.294CS..THydrogen-bonded Turntrans64.527.9-17200000113T532 S571 P572T532-G575 WeakPolarHBondContact CG2-O 3.19Å; T532-G575 PolarHBondContact OG1-O 3.31Å; S571-G575 WeakPolarHBondContact O-CA 3.46Å; S571-G575 PolarHBondContact O-N 3.19Å; P572-G575 PolarHBondContact O-N 3.43Å
576T94.3Very high91.2Very high65 Ų6555.6 Ų55.640%0.39930%0.299SS..EExtended strand (participates in β ladder)trans-126.6154.1-174.657.90000112.9Y570 S571 K574Y570-T576 WeakPolarHBondContact CD2-O 3.46Å; S571-T576 PolarHBondContact N-O 2.89Å; S571-T576 PolarHBondContact O-N 3.34Å; K574-T576 WeakPolarHBondContact CB-OG1 3.4Å; K574-T576 PolarHBondContact O-N 3.29Å; K574-T576 VanDerWaalsContact C-N 3.25Å
577W96.4Very high90.9Very high25 Ų2557 Ų5710%0.09531%0.308CS..EExtended strand (participates in β ladder)trans-99.5140.9169.9-71.194.3000110.4I501 V517 P533 I534 L535 L552 I568 C569 Y570I501-W577 HydrophobicContact CD1-CH2 4.3Å; I501-W577 HydrophobicContact CG2-CH2 3.83Å; I501-W577 HydrophobicContact CG2-CZ2 4.05Å; V517-W577 HydrophobicContact CG2-CZ2 4.04Å; P533-W577 PolarHBondContact O-NE1 3.07Å; I534-W577 HydrophobicContact CB-CZ2 4.22Å; I534-W577 HydrophobicContact CG1-CH2 4.12Å; I534-W577 HydrophobicContact CG1-CZ2 4.13Å; I534-W577 HydrophobicContact CG1-CZ3 4.37Å; L535-W577 HydrophobicContact CD1-CB 3.83Å; L535-W577 HydrophobicContact CD2-CB 3.83Å; L535-W577 HydrophobicContact CG-CB 3.59Å; L535-W577 HydrophobicContact CG-CG 4.17Å; L552-W577 HydrophobicContact CD1-CH2 3.81Å; L552-W577 HydrophobicContact CD1-CZ3 3.95Å; L552-W577 HydrophobicContact CG-CZ3 4.41Å; I568-W577 HydrophobicContact CB-CE3 4.31Å; I568-W577 HydrophobicContact CD1-CE3 3.96Å; I568-W577 HydrophobicContact CD1-CZ3 3.85Å; I568-W577 HydrophobicContact CG1-CE3 4.12Å; I568-W577 HydrophobicContact CG1-CZ3 3.94Å; C569-W577 CarbonylContact O-C 3.53Å; C569-W577 VanDerWaalsContact O-CA 3.31Å; C569-W577 WeakPolarHBondContact O-CA 3.44Å; Y570-W577 AromaticContact CD2-CD1 3.84Å; Y570-W577 HydrophobicContact CG-CZ2 3.92Å; Y570-W577 AromaticContact CG-CZ2 3.92Å; Y570-W577 HydrophobicContact CG-CH2 4.27Å; Y570-W577 AromaticContact CG-CE2 3.92Å; Y570-W577 HydrophobicContact CG-CD2 4.27Å; Y570-W577 AromaticContact CD2-NE1 3.54Å; Y570-W577 HydrophobicContact CD2-CZ2 4.02Å; Y570-W577 HydrophobicContact CD2-CG 4.02Å; Y570-W577 AromaticContact CD2-CE2 3.56Å; Y570-W577 HydrophobicContact CD2-CD2 3.87Å; Y570-W577 AromaticContact CD2-CD2 3.87Å
578T94.8Very high90.6Very high71 Ų7157 Ų5744%0.43631%0.308SS..EExtended strand (participates in β ladder)trans-132.6140.7172.547.40000110.3I568 C569I568-T578 CarbonylContact C-O 3.57Å; I568-T578 WeakPolarHBondContact CA-O 3.4Å; C569-T578 PolarHBondContact N-O 2.98Å; C569-T578 PolarHBondContact O-N 3.14Å; C569-T578 PolarHBondContact SG-OG1 3.12Å
579E94.7Very high90.3Very high120 Ų12057.4 Ų57.456%0.56131%0.312SS*.EExtended strand (participates in β ladder)trans-92.3132.5171.4-173.9167.3-164.500109.4S566 I568S566-E579 WeakPolarHBondContact CB-OE1 3.45Å; S566-E579 PolarHBondContact OG-OE1 3.18Å; I568-E579 HydrophobicContact CG2-CG 4.19Å; I568-E579 HydrophobicContact CG2-CB 4.19Å
580L93.4Very high90.2Very high30 Ų3057.2 Ų57.216%0.15731%0.312CS..EExtended strand (participates in β ladder)trans-83.3143.4177.5-89.368.3000110.1Y322 F551 T567 C569Y322-L580 HydrophobicContact CD1-CD2 4.07Å; Y322-L580 HydrophobicContact CE1-CD2 3.61Å; Y322-L580 HydrophobicContact CE2-CD2 4.49Å; F551-L580 HydrophobicContact CD1-CD1 4.37Å; F551-L580 HydrophobicContact CD1-CD2 4.15Å; F551-L580 HydrophobicContact CE1-CD1 3.9Å; F551-L580 HydrophobicContact CE1-CD2 3.67Å; F551-L580 HydrophobicContact CE1-CG 4.45Å; T567-L580 PolarHBondContact O-N 3.39Å; T567-L580 HydrophobicContact CG2-CG 4.44Å; T567-L580 HydrophobicContact CG2-CD2 3.98Å; T567-L580 HydrophobicContact CG2-CB 4.2Å; T567-L580 HydrophobicContact CG2-CD1 4.45Å; C569-L580 HydrophobicContact CB-CD1 4.14Å; C569-L580 VanDerWaalsContact SG-CD1 3.59Å
581E90.3Very high90.1Very high141 Ų14157.2 Ų57.266%0.65931%0.313SS*.SBendtrans-67.6140.5170.8-70.1-179.7-162.800111Y322 K327Y322-E581 WeakPolarHBondContact CE2-O 3.32Å; Y322-E581 VanDerWaalsContact CZ-O 3.32Å; Y322-E581 PolarHBondContact OH-O 2.98Å; K327-E581 HydrophobicContact CB-CB 3.86Å; K327-E581 HydrophobicContact CG-CB 4.27Å
582G85.3Confident90.3Very high27 Ų2757 Ų5728%0.27831%0.312SS..SBendtrans95.1125.4-179.900000112.6K327K327-G582 VanDerWaalsContact O-CA 3.32Å; K327-G582 WeakPolarHBondContact O-CA 3.34Å
583E87.6Confident90.6Very high131 Ų13156.4 Ų56.461%0.61231%0.309SS*.  trans-94.2151.5177.6-69.4-174.6-156.100111S565S565-E583 VanDerWaalsContact OG-CD 3.29Å; S565-E583 PolarHBondContact OG-OE2 3.41Å; S565-E583 WeakPolarHBondContact CB-OE2 3.41Å
584V88.9Confident91Very high6 Ų648.9 Ų48.94%0.03627%0.274CS..  trans-66.3147.6167.6-64.40000109.4L303 W329 V553 S565 E586L303-V584 HydrophobicContact CD2-CB 4.12Å; L303-V584 HydrophobicContact CD2-CG1 3.58Å; L303-V584 HydrophobicContact CD2-CG2 4.47Å; W329-V584 HydrophobicContact CD2-CG1 3.59Å; W329-V584 HydrophobicContact CE3-CG1 4.25Å; W329-V584 HydrophobicContact CG-CB 4.39Å; W329-V584 HydrophobicContact CG-CG1 3.7Å; W329-V584 HydrophobicContact CZ2-CG1 4.09Å; V553-V584 HydrophobicContact CG1-CG1 3.68Å; S565-V584 VanDerWaalsContact O-CG2 3.28Å; S565-V584 WeakPolarHBondContact O-CG2 3.36Å; S565-V584 PolarHBondContact O-N 3.03Å; V584-E586 WeakPolarHBondContact CG2-O 3.16Å; V584-E586 PolarHBondContact O-N 3.4Å; V584-E586 VanDerWaalsContact O-N 3.1Å
585A76.8Confident91.2Very high83 Ų8342.2 Ų42.269%0.68625%0.247SC*.SBendtrans-58.2-31-172.300000113.4
586E80.1Confident91.4Very high52 Ų5241.2 Ų41.224%0.24324%0.237CC..SBendtrans-135.3138.1173.953.9179.417700109.9S316 V584 L588S316-E586 VanDerWaalsContact CB-OE1 3.22Å; S316-E586 WeakPolarHBondContact CB-OE1 2.99Å; S316-E586 PolarHBondContact OG-OE1 3.26Å; V584-E586 WeakPolarHBondContact CG2-O 3.16Å; V584-E586 PolarHBondContact O-N 3.4Å; V584-E586 VanDerWaalsContact O-N 3.1Å; E586-L588 HydrophobicContact CG-CD1 3.95Å; E586-L588 HydrophobicContact CG-CD2 3.99Å; E586-L588 HydrophobicContact CG-CG 3.94Å; E586-L588 WeakPolarHBondContact O-CG 3.42Å
587P86Confident91.4Very high40 Ų4040 Ų4026%0.2623%0.227SC..  trans-72.4132.3175.231.4-34.9000109.8P309 K564P309-P587 WeakPolarHBondContact CD-O 3.08Å; P309-P587 HydrophobicContact CG-CG 4.02Å; K564-P587 WeakPolarHBondContact O-CA 3.24Å
588L90.2Very high91Very high1 Ų139.2 Ų39.21%0.00523%0.225CC..  trans-134.1144.1-167.4-67.5159000111.4L303 L307 P308 G555 K564 E586 P591L303-L588 HydrophobicContact CD2-CD1 3.92Å; L307-L588 WeakPolarHBondContact O-CA 3.29Å; P308-L588 HydrophobicContact CB-CD2 3.99Å; G555-L588 PolarHBondContact N-O 3.46Å; K564-L588 PolarHBondContact O-N 3.02Å; E586-L588 HydrophobicContact CG-CD1 3.95Å; E586-L588 HydrophobicContact CG-CD2 3.99Å; E586-L588 HydrophobicContact CG-CG 3.94Å; E586-L588 WeakPolarHBondContact O-CG 3.42Å; L588-P591 HydrophobicContact CB-CG 4.38Å
589A91.1Very high90.5Very high11 Ų1137.1 Ų37.19%0.09121%0.212CC..BIsolated β-bridgetrans-116.4144.316900000111.4L307 Y563L307-A589 WeakPolarHBondContact CB-O 3.4Å; L307-A589 PolarHBondContact N-O 3Å; L307-A589 PolarHBondContact O-N 3.44Å; Y563-A589 HydrophobicContact CD1-CB 3.68Å; Y563-A589 HydrophobicContact CE1-CB 3.55Å
590G92.4Very high89.4Confident6 Ų634.3 Ų34.36%0.06221%0.21CC..SBendtrans60.730.7-173.300000116.4H341 G540H341-G590 PolarHBondContact N-O 2.89Å; G540-G590 WeakPolarHBondContact O-CA 3.45Å; G540-G590 PolarHBondContact O-N 3.19Å
591P95.8Very high88Confident9 Ų934.9 Ų34.96%0.05822%0.216CC..  trans-71.7162.4165.436.6-36.7000110.2L303 G305 G540 G542 L588L303-P591 HydrophobicContact CD1-CB 3.5Å; L303-P591 VanDerWaalsContact CD1-CB 3.5Å; L303-P591 HydrophobicContact CD1-CG 3.59Å; L303-P591 HydrophobicContact CG-CB 4.19Å; G305-P591 VanDerWaalsContact O-CB 3.29Å; G305-P591 WeakPolarHBondContact O-CB 3.37Å; G540-P591 WeakPolarHBondContact O-CD 3.44Å; G542-P591 WeakPolarHBondContact CA-O 3.28Å; L588-P591 HydrophobicContact CB-CG 4.38Å
592A97.2Very high86.6Confident10 Ų1030.3 Ų30.38%0.08320%0.196CC..EExtended strand (participates in β ladder)trans-97.3150.716500000110.2V304 V344V304-A592 HydrophobicContact CB-CB 4.42Å; V304-A592 PolarHBondContact N-O 3.08Å; V304-A592 PolarHBondContact O-N 3.48Å; V344-A592 HydrophobicContact CB-CB 3.91Å; V344-A592 HydrophobicContact CG2-CB 3.58Å
593C96.6Very high85Confident11 Ų1131.8 Ų31.87%0.07420%0.2CC..EExtended strand (participates in β ladder)trans-121.3151.8168.2-77.80000110.2L302 L303 G542 C543 A544L302-C593 VanDerWaalsContact O-CA 3.22Å; L302-C593 WeakPolarHBondContact O-CA 3.34Å; L302-C593 WeakPolarHBondContact O-CB 3.49Å; L302-C593 PolarHBondContact O-SG 3.16Å; L303-C593 VanDerWaalsContact CD1-SG 3.51Å; G542-C593 VanDerWaalsContact C-SG 3.56Å; G542-C593 VanDerWaalsContact CA-SG 3.58Å; C543-C593 VanDerWaalsContact C-CB 3.48Å; C543-C593 WeakPolarHBondContact O-CB 3.35Å; A544-C593 HydrophobicContact CB-CB 3.95Å
594S96.9Very high82.6Confident11 Ų1133.7 Ų33.78%0.07721%0.207CC..EExtended strand (participates in β ladder)trans-154.2-179.5174-169.30000109.2L302 L351L302-S594 PolarHBondContact N-O 3.15Å; L302-S594 PolarHBondContact O-N 3.06Å; L351-S594 WeakPolarHBondContact CD2-OG 3.49Å
595T95.9Very high80Confident16 Ų1637.6 Ų37.610%0.09823%0.227CC..EExtended strand (participates in β ladder)trans-127.8142.817366.90000110.9R299 M300 A544 L546R299-T595 WeakPolarHBondContact CD-OG1 3.29Å; R299-T595 PolarHBondContact NH1-O 3.37Å; R299-T595 PolarHBondContact NH1-OG1 3.26Å; M300-T595 VanDerWaalsContact O-CA 3.24Å; M300-T595 WeakPolarHBondContact O-CA 3.38Å; A544-T595 HydrophobicContact CB-CG2 4.05Å; L546-T595 HydrophobicContact CB-CG2 4.07Å; L546-T595 HydrophobicContact CD1-CG2 4.21Å
596V94.7Very high77.8Confident0 Ų047 Ų470%025%0.253CS..EExtended strand (participates in β ladder)trans-142.9156.5173.4-61.20000110.9M300 L302 L351 L598M300-V596 PolarHBondContact N-O 3.1Å; M300-V596 PolarHBondContact O-N 2.84Å; M300-V596 VanDerWaalsContact O-N 3.12Å; L302-V596 HydrophobicContact CD1-CB 4.3Å; L302-V596 HydrophobicContact CD1-CG1 3.9Å; L302-V596 HydrophobicContact CD1-CG2 3.47Å; L302-V596 VanDerWaalsContact CD1-CG2 3.47Å; L302-V596 HydrophobicContact CD2-CG2 4.21Å; L302-V596 HydrophobicContact CG-CG2 3.92Å; L351-V596 HydrophobicContact CD1-CG1 3.76Å; L351-V596 HydrophobicContact CD2-CG1 3.41Å; L351-V596 VanDerWaalsContact CD2-CG1 3.41Å; L351-V596 HydrophobicContact CG-CG1 3.52Å; V596-L598 HydrophobicContact CG2-CD2 3.55Å; V596-L598 HydrophobicContact CG2-CG 3.94Å
597I93.7Very high77.7Confident38 Ų3846.7 Ų46.720%0.19525%0.253CS..EExtended strand (participates in β ladder)trans-86122.2164.9-60.5173.5000107.5I294 S296 R299 N349I294-I597 HydrophobicContact CB-CG2 4.26Å; I294-I597 VanDerWaalsContact CD1-O 3.31Å; I294-I597 WeakPolarHBondContact CD1-O 3.47Å; I294-I597 HydrophobicContact CG2-CG2 4.09Å; S296-I597 WeakPolarHBondContact O-CG2 3.36Å; R299-I597 HydrophobicContact CB-CG1 4.38Å; N349-I597 PolarHBondContact ND2-O 3.23Å; N349-I597 WeakPolarHBondContact OD1-CB 3.47Å; N349-I597 PolarHBondContact OD1-N 3.12Å
598L89.9Confident77.3Confident9 Ų947.1 Ų47.15%0.04725%0.253CS..PPolyproline II helixtrans-98.8151.5176.5-63.8178.2000111.1S296 M300 Y321 L332 P377 V596 L602S296-L598 VanDerWaalsContact CB-O 3.23Å; S296-L598 WeakPolarHBondContact CB-O 3.16Å; S296-L598 PolarHBondContact OG-O 3.43Å; M300-L598 HydrophobicContact CB-CD1 4.13Å; M300-L598 HydrophobicContact CB-CG 4.42Å; M300-L598 HydrophobicContact CG-CB 4.41Å; M300-L598 HydrophobicContact CG-CD1 3.89Å; M300-L598 HydrophobicContact CG-CG 4.09Å; Y321-L598 HydrophobicContact CD1-CD1 4.36Å; Y321-L598 HydrophobicContact CD2-CD1 4.33Å; Y321-L598 HydrophobicContact CG-CD1 4.07Å; L332-L598 HydrophobicContact CD1-CD1 4.07Å; L332-L598 HydrophobicContact CD1-CD2 4.09Å; L332-L598 HydrophobicContact CD2-CD1 4.35Å; L332-L598 HydrophobicContact CD2-CD2 3.85Å; P377-L598 HydrophobicContact CB-CD2 3.93Å; V596-L598 HydrophobicContact CG2-CD2 3.55Å; V596-L598 HydrophobicContact CG2-CG 3.94Å; L598-L602 HydrophobicContact CB-CD2 3.95Å; L598-L602 HydrophobicContact CD1-CD2 4.06Å; L598-L602 HydrophobicContact CD2-CD2 4.24Å; L598-L602 HydrophobicContact CG-CD2 4.29Å
599P84.3Confident76.6Confident27 Ų2749.6 Ų49.618%0.17527%0.267CS..PPolyproline II helixtrans-60.2150.3169.8-19.832.6000111.8I294 P377 C601I294-P599 HydrophobicContact CD1-CG 3.91Å; I294-P599 HydrophobicContact CG1-CG 4.44Å; I294-P599 HydrophobicContact CG2-CB 4.33Å; I294-P599 HydrophobicContact CG2-CG 4.33Å; P377-P599 WeakPolarHBondContact O-CD 3.34Å; P377-P599 WeakPolarHBondContact O-CG 3.42Å; P599-C601 PolarHBondContact O-N 3.12Å
600A70.9Confident75.7Confident61 Ų6151.9 Ų51.950%0.50428%0.277SS..SBendtrans-60.5-33.5179.800000112.9P206P206-A600 HydrophobicContact CB-CB 3.64Å
601C64.4Low74.7Confident42 Ų4254.8 Ų54.828%0.28429%0.29SS..SBendtrans-112.7110.4167.3-62.30000107.4E210 P599 P603E210-C601 HydrophobicContact CB-CB 3.98Å; E210-C601 HydrophobicContact CG-CB 4.14Å; P599-C601 PolarHBondContact O-N 3.12Å; C601-P603 WeakPolarHBondContact O-CD 3.47Å
602L60.9Low73.3Confident46 Ų4657.8 Ų57.824%0.24131%0.306CS..  trans-64.6125.1171.1-71.4173.7000107.9Y321 L332 L598 F604Y321-L602 HydrophobicContact CD1-CD1 4.43Å; Y321-L602 HydrophobicContact CE1-CD1 3.51Å; Y321-L602 WeakPolarHBondContact OH-CD1 3.29Å; L332-L602 HydrophobicContact CD1-CD1 3.99Å; L332-L602 HydrophobicContact CD1-CD2 3.61Å; L332-L602 HydrophobicContact CD1-CG 4.42Å; L598-L602 HydrophobicContact CB-CD2 3.95Å; L598-L602 HydrophobicContact CD1-CD2 4.06Å; L598-L602 HydrophobicContact CD2-CD2 4.24Å; L598-L602 HydrophobicContact CG-CD2 4.29Å; L602-F604 PolarHBondContact O-N 3.02Å
603P50.5Low71.6Confident57 Ų5761.2 Ų61.237%0.3732%0.322SS..  trans-61.2109.9168.624.9-30.1000106.7N380 C601 N605N380-P603 HydrophobicContact CB-CG 3.81Å; N380-P603 PolarHBondContact ND2-O 3.19Å; C601-P603 WeakPolarHBondContact O-CD 3.47Å; P603-N605 PolarHBondContact O-N 2.98Å
604F37.7Very low69.6Low171 Ų17165.1 Ų65.175%0.7534%0.341SS*.  trans-53.3134.7173.2-83.1-86.4000108.1L602 K606L602-F604 PolarHBondContact O-N 3.02Å; F604-K606 PolarHBondContact O-N 3.45Å
605N35.2Very low67.4Low88 Ų8869.6 Ų69.647%0.47136%0.363SS..  trans-50.4118.8170.3-72.9-23.6000107.8N380 P603N380-N605 PolarHBondContact ND2-OD1 3.17Å; P603-N605 PolarHBondContact O-N 2.98Å
606K30.3Very low64.8Low280 Ų28074.5 Ų74.5100%1.21739%0.387SS*.  trans-72.90161.8-84.4-171.7176.5179.50109.5F604F604-K606 PolarHBondContact O-N 3.45Å

Retrieved 606 of 606 residues in 1112.4 ms (Link to these results)

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