A0A096NCZ3_PAPAN Loading...

Beta-1,4-galactosyltransferase

Responsible for the synthesis of complex-type N-linked oligosaccharides in many glycoproteins as well as the carbohydrate moieties of glycolipids.

AlphaFold DB (A0A2K6A9M7), UniProt , Accession A0A096NCZ3, Species PAPAN (Papio anubis, Olive baboon), Gene B4GALT3, Length 393 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
1M53.4Low61Low212 Ų212138.7 Ų138.7100%1.04466%0.662SS**  0-37.70-81.9-17616700113.7R3 R4M1-R3 PolarHBondContact O-N 3.34Å; M1-R4 PolarHBondContact O-N 2.8Å
2L52.1Low62.1Low138 Ų138135.4 Ų135.472%0.72365%0.65SS**Hα-helixtrans-60.1-37.2179-127.577.7000114.9R4 L5 L6L2-R4 PolarHBondContact O-N 3.11Å; L2-L5 WeakPolarHBondContact O-CB 3.36Å; L2-L5 PolarHBondContact O-N 3.16Å; L2-L6 PolarHBondContact O-N 3.16Å
3R53.8Low63.3Low213 Ų213129.8 Ų129.880%0.80464%0.64SS**Hα-helixtrans-63.7-37-177.9-126.8178.9-175.7-177.20.3113.7M1 L5 L6M1-R3 PolarHBondContact O-N 3.34Å; R3-L5 VanDerWaalsContact C-N 3.3Å; R3-L5 PolarHBondContact O-N 3.19Å; R3-L6 PolarHBondContact O-N 3.23Å
4R56.8Low64.8Low210 Ų210129.6 Ų129.679%0.79264%0.642SS**Hα-helixtrans-75.2-17.2177.7-73.9-174.2-174.11781.4113.7M1 L2M1-R4 PolarHBondContact O-N 2.8Å; L2-R4 PolarHBondContact O-N 3.11Å
5L55Low65.9Low99 Ų99126.1 Ų126.152%0.51863%0.626SS.*Hα-helixtrans-78.8-33.9175.7-102.3142.5000111.5L2 R3 T11L2-L5 WeakPolarHBondContact O-CB 3.36Å; L2-L5 PolarHBondContact O-N 3.16Å; R3-L5 VanDerWaalsContact C-N 3.3Å; R3-L5 PolarHBondContact O-N 3.19Å; L5-T11 WeakPolarHBondContact O-CB 3.15Å; L5-T11 WeakPolarHBondContact O-CG2 3.48Å; L5-T11 PolarHBondContact O-OG1 3.22Å
6L54.8Low67Low90 Ų90122.7 Ų122.747%0.47161%0.614SS.*Hα-helixtrans-79.1-21.2178.3-88.2136.7000114.4L2 R3 R8 L15L2-L6 PolarHBondContact O-N 3.16Å; R3-L6 PolarHBondContact O-N 3.23Å; L6-R8 VanDerWaalsContact C-N 3.35Å; L6-L15 HydrophobicContact CD2-CD1 3.67Å
7E57Low68.1Low151 Ų151117.6 Ų117.671%0.70660%0.6SS**THydrogen-bonded Turntrans-84.4-6.5179.2-75.1-178.2178.400114.2
8R69.3Low68.9Low171 Ų171114.3 Ų114.365%0.64559%0.589SS**SBendtrans-76.3126.1174.3-74.3179.6177.7-170.9-2.5108.7L6 C10 T11 L12L6-R8 VanDerWaalsContact C-N 3.35Å; R8-C10 PolarHBondContact O-N 3.33Å; R8-C10 VanDerWaalsContact O-N 3.08Å; R8-T11 WeakPolarHBondContact CB-OG1 3.37Å; R8-T11 PolarHBondContact O-N 2.76Å; R8-T11 PolarHBondContact O-OG1 2.81Å; R8-L12 PolarHBondContact O-N 2.78Å
9P70.2Confident69.7Low104 Ų104115.4 Ų115.468%0.67559%0.591SS**Hα-helixtrans-57.1-31.9-175.819-30.2000112.3A13P9-A13 VanDerWaalsContact O-CB 3.28Å; P9-A13 WeakPolarHBondContact O-CB 3.48Å; P9-A13 PolarHBondContact O-N 2.52Å
10C73.1Confident70.5Confident97 Ų97115.2 Ų115.266%0.65559%0.59SS**Hα-helixtrans-65.7-37.4174.5-62.50000113.6R8 L14R8-C10 PolarHBondContact O-N 3.33Å; R8-C10 VanDerWaalsContact O-N 3.08Å; C10-L14 WeakPolarHBondContact O-CB 3.42Å; C10-L14 PolarHBondContact O-N 2.71Å
11T75.4Confident71.1Confident41 Ų41112.6 Ų112.625%0.25259%0.587SS.*Hα-helixtrans-74.6-37.7-179.7-22.10000111.2L5 R8 L14 L15L5-T11 WeakPolarHBondContact O-CB 3.15Å; L5-T11 WeakPolarHBondContact O-CG2 3.48Å; L5-T11 PolarHBondContact O-OG1 3.22Å; R8-T11 WeakPolarHBondContact CB-OG1 3.37Å; R8-T11 PolarHBondContact O-N 2.76Å; R8-T11 PolarHBondContact O-OG1 2.81Å; T11-L14 PolarHBondContact O-N 3.42Å; T11-L15 PolarHBondContact O-N 3.17Å
12L74.8Confident72.4Confident99 Ų99106.4 Ų106.452%0.51856%0.56SS.*Hα-helixtrans-65-43.3173.6-17170.3000110.9R8 L14 L15 V16R8-L12 PolarHBondContact O-N 2.78Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 3.39Å; L12-L15 PolarHBondContact O-N 2.9Å; L12-V16 WeakPolarHBondContact O-CG2 3.5Å; L12-V16 PolarHBondContact O-N 3.32Å
13A77.9Confident73.7Confident62 Ų62105.8 Ų105.851%0.51256%0.555SS.*Hα-helixtrans-62.3-38.5174.900000112.6P9 G17P9-A13 VanDerWaalsContact O-CB 3.28Å; P9-A13 WeakPolarHBondContact O-CB 3.48Å; P9-A13 PolarHBondContact O-N 2.52Å; A13-G17 PolarHBondContact O-N 2.78Å
14L83.1Confident75Confident127 Ų127101.2 Ų101.267%0.66555%0.545SS*.Hα-helixtrans-66-38.5174.2-109.8155.1000112.8C10 T11 L12 S18C10-L14 WeakPolarHBondContact O-CB 3.42Å; C10-L14 PolarHBondContact O-N 2.71Å; T11-L14 PolarHBondContact O-N 3.42Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 3.39Å; L14-S18 VanDerWaalsContact O-CB 3.31Å; L14-S18 WeakPolarHBondContact O-CB 3.35Å; L14-S18 PolarHBondContact O-N 2.96Å; L14-S18 PolarHBondContact O-OG 2.85Å
15L81.5Confident75.8Confident77 Ų7795.9 Ų95.940%0.40353%0.525SS..Hα-helixtrans-68.9-46.8176.4-84.7159.9000111.5L6 T11 L12 G17 S18 Q19L6-L15 HydrophobicContact CD2-CD1 3.67Å; T11-L15 PolarHBondContact O-N 3.17Å; L12-L15 PolarHBondContact O-N 2.9Å; L15-G17 VanDerWaalsContact C-N 3.34Å; L15-G17 PolarHBondContact O-N 3.06Å; L15-S18 PolarHBondContact O-N 3.31Å; L15-S18 PolarHBondContact O-OG 2.97Å; L15-Q19 WeakPolarHBondContact O-CB 3.23Å; L15-Q19 PolarHBondContact O-N 3.49Å
16V83.5Confident76.7Confident72 Ų7294.5 Ų94.544%0.43652%0.518SS..Hα-helixtrans-64.1-42176173.90000110.7L12 Q19 L20L12-V16 WeakPolarHBondContact O-CG2 3.5Å; L12-V16 PolarHBondContact O-N 3.32Å; V16-Q19 PolarHBondContact O-N 3.09Å; V16-L20 HydrophobicContact CG1-CD1 3.94Å; V16-L20 HydrophobicContact CG1-CG 4.38Å; V16-L20 WeakPolarHBondContact O-CB 3.4Å; V16-L20 VanDerWaalsContact O-CG 3.32Å; V16-L20 WeakPolarHBondContact O-CG 3.31Å; V16-L20 PolarHBondContact O-N 3.3Å
17G85.9Confident77.6Confident36 Ų3694.8 Ų94.837%0.37153%0.527SS..Hα-helixtrans-61.5-42.8175.400000112.7A13 L15 L20 A21A13-G17 PolarHBondContact O-N 2.78Å; L15-G17 VanDerWaalsContact C-N 3.34Å; L15-G17 PolarHBondContact O-N 3.06Å; G17-L20 PolarHBondContact O-N 2.98Å; G17-A21 VanDerWaalsContact O-CB 3.3Å; G17-A21 WeakPolarHBondContact O-CB 3.18Å; G17-A21 PolarHBondContact O-N 3.45Å
18S82.7Confident78.3Confident58 Ų5894 Ų9441%0.40653%0.528SS..Hα-helixtrans-69.5-37.9176.562.90000112.1L14 L15 A21 V22L14-S18 VanDerWaalsContact O-CB 3.31Å; L14-S18 WeakPolarHBondContact O-CB 3.35Å; L14-S18 PolarHBondContact O-N 2.96Å; L14-S18 PolarHBondContact O-OG 2.85Å; L15-S18 PolarHBondContact O-N 3.31Å; L15-S18 PolarHBondContact O-OG 2.97Å; S18-A21 PolarHBondContact O-N 3.22Å; S18-V22 WeakPolarHBondContact O-CB 3.05Å; S18-V22 VanDerWaalsContact O-CG2 3.26Å; S18-V22 WeakPolarHBondContact O-CG2 3.49Å; S18-V22 PolarHBondContact O-N 3.36Å
19Q83.6Confident77.8Confident135 Ų13587 Ų8763%0.63151%0.509SS*.Hα-helixtrans-62.7-44.4173.1-117.1174.4-28.100112.1L15 V16 V22 M23L15-Q19 WeakPolarHBondContact O-CB 3.23Å; L15-Q19 PolarHBondContact O-N 3.49Å; V16-Q19 PolarHBondContact O-N 3.09Å; Q19-V22 PolarHBondContact O-N 3.02Å; Q19-M23 WeakPolarHBondContact O-CB 3.43Å; Q19-M23 WeakPolarHBondContact O-CG 3.47Å; Q19-M23 PolarHBondContact O-N 2.84Å
20L86.6Confident77.3Confident111 Ų11182.4 Ų82.458%0.58148%0.48SS*.Hα-helixtrans-66.4-39.2176.7-72.9172.3000111.7V16 G17 M23 M24V16-L20 HydrophobicContact CG1-CD1 3.94Å; V16-L20 HydrophobicContact CG1-CG 4.38Å; V16-L20 WeakPolarHBondContact O-CB 3.4Å; V16-L20 VanDerWaalsContact O-CG 3.32Å; V16-L20 WeakPolarHBondContact O-CG 3.31Å; V16-L20 PolarHBondContact O-N 3.3Å; G17-L20 PolarHBondContact O-N 2.98Å; L20-M23 PolarHBondContact O-N 2.83Å; L20-M24 VanDerWaalsContact O-CB 3.25Å; L20-M24 WeakPolarHBondContact O-CB 3.26Å; L20-M24 WeakPolarHBondContact O-CG 3.28Å; L20-M24 PolarHBondContact O-N 2.73Å
21A82.1Confident76.5Confident62 Ų6284.3 Ų84.351%0.51248%0.477SS..Hα-helixtrans-64.5-41.4175.100000112G17 S18 Y25G17-A21 VanDerWaalsContact O-CB 3.3Å; G17-A21 WeakPolarHBondContact O-CB 3.18Å; G17-A21 PolarHBondContact O-N 3.45Å; S18-A21 PolarHBondContact O-N 3.22Å; A21-Y25 VanDerWaalsContact O-CB 3.28Å; A21-Y25 WeakPolarHBondContact O-CB 3.42Å; A21-Y25 PolarHBondContact O-N 2.76Å
22V80.9Confident75.5Confident81 Ų8192.3 Ų92.349%0.49150%0.503SS..Hα-helixtrans-64.9-48.4173.9170.80000110.2S18 Q19 M24 Y25 L26S18-V22 WeakPolarHBondContact O-CB 3.05Å; S18-V22 VanDerWaalsContact O-CG2 3.26Å; S18-V22 WeakPolarHBondContact O-CG2 3.49Å; S18-V22 PolarHBondContact O-N 3.36Å; Q19-V22 PolarHBondContact O-N 3.02Å; V22-M24 VanDerWaalsContact C-N 3.33Å; V22-M24 PolarHBondContact O-N 2.91Å; V22-Y25 WeakPolarHBondContact O-CB 3.46Å; V22-Y25 PolarHBondContact O-N 3.02Å; V22-Y25 VanDerWaalsContact O-N 3.17Å; V22-L26 HydrophobicContact CG1-CD1 3.86Å; V22-L26 HydrophobicContact CG1-CG 4.18Å; V22-L26 WeakPolarHBondContact O-CB 3.18Å; V22-L26 WeakPolarHBondContact O-CG 3.15Å; V22-L26 PolarHBondContact O-N 2.95Å
23M80.8Confident74.3Confident125 Ų12590.7 Ų90.762%0.61650%0.5SS*.Hα-helixtrans-61-40.7178-71.7-70.5-77.100112.2Q19 L20 L26 S27Q19-M23 WeakPolarHBondContact O-CB 3.43Å; Q19-M23 WeakPolarHBondContact O-CG 3.47Å; Q19-M23 PolarHBondContact O-N 2.84Å; L20-M23 PolarHBondContact O-N 2.83Å; M23-L26 PolarHBondContact O-N 3.08Å; M23-S27 VanDerWaalsContact O-CB 3.3Å; M23-S27 WeakPolarHBondContact O-CB 3.28Å; M23-S27 PolarHBondContact O-N 3.33Å; M23-S27 PolarHBondContact O-OG 2.86Å
24M79.4Confident72.9Confident118 Ų11891 Ų9158%0.58149%0.492SS*.Hα-helixtrans-60.4-50.1171.5-91.4-102.1-70.400111.4L20 V22 L26 S27 L28L20-M24 VanDerWaalsContact O-CB 3.25Å; L20-M24 WeakPolarHBondContact O-CB 3.26Å; L20-M24 WeakPolarHBondContact O-CG 3.28Å; L20-M24 PolarHBondContact O-N 2.73Å; V22-M24 VanDerWaalsContact C-N 3.33Å; V22-M24 PolarHBondContact O-N 2.91Å; M24-L26 VanDerWaalsContact C-N 3.3Å; M24-L26 PolarHBondContact O-N 3.11Å; M24-S27 WeakPolarHBondContact CA-OG 3.44Å; M24-S27 PolarHBondContact O-N 3.06Å; M24-S27 VanDerWaalsContact O-N 3.16Å; M24-S27 PolarHBondContact O-OG 3.13Å; M24-L28 HydrophobicContact CE-CD1 4.43Å; M24-L28 WeakPolarHBondContact O-CB 3.49Å; M24-L28 WeakPolarHBondContact O-CG 3.19Å; M24-L28 PolarHBondContact O-N 3.01Å; M24-L28 HydrophobicContact SD-CD1 4.34Å
25Y75.1Confident71.3Confident97 Ų9788.4 Ų88.438%0.3849%0.485SS..Hα-helixtrans-57.2-42.8176.3178.1-100.9000111.7A21 V22 G29 G30 L34A21-Y25 VanDerWaalsContact O-CB 3.28Å; A21-Y25 WeakPolarHBondContact O-CB 3.42Å; A21-Y25 PolarHBondContact O-N 2.76Å; V22-Y25 WeakPolarHBondContact O-CB 3.46Å; V22-Y25 PolarHBondContact O-N 3.02Å; V22-Y25 VanDerWaalsContact O-N 3.17Å; Y25-G29 PolarHBondContact O-N 3.37Å; Y25-G30 VanDerWaalsContact CE1-CA 3.5Å; Y25-G30 VanDerWaalsContact O-CA 3.28Å; Y25-G30 WeakPolarHBondContact O-CA 3.26Å; Y25-G30 PolarHBondContact O-N 3.12Å; Y25-G30 PolarHBondContact OH-O 2.79Å; Y25-L34 HydrophobicContact CE1-CD1 4.09Å
26L74.1Confident69.8Low71 Ų7188.6 Ų88.637%0.37250%0.497SS..Hα-helixtrans-65.5-43.1175.8-64.6175.7000111.9V22 M23 M24 L28 G29 F31V22-L26 HydrophobicContact CG1-CD1 3.86Å; V22-L26 HydrophobicContact CG1-CG 4.18Å; V22-L26 WeakPolarHBondContact O-CB 3.18Å; V22-L26 WeakPolarHBondContact O-CG 3.15Å; V22-L26 PolarHBondContact O-N 2.95Å; M23-L26 PolarHBondContact O-N 3.08Å; M24-L26 VanDerWaalsContact C-N 3.3Å; M24-L26 PolarHBondContact O-N 3.11Å; L26-L28 PolarHBondContact O-N 2.89Å; L26-G29 PolarHBondContact O-N 2.87Å; L26-F31 HydrophobicContact CD2-CD2 3.23Å; L26-F31 HydrophobicContact CD2-CE2 3.39Å
27S72.1Confident68Low95 Ų9591.2 Ų91.266%0.66451%0.509SS*.Hα-helixtrans-69.4-30.8-179.372.80000113.6M23 M24 G29M23-S27 VanDerWaalsContact O-CB 3.3Å; M23-S27 WeakPolarHBondContact O-CB 3.28Å; M23-S27 PolarHBondContact O-N 3.33Å; M23-S27 PolarHBondContact O-OG 2.86Å; M24-S27 WeakPolarHBondContact CA-OG 3.44Å; M24-S27 PolarHBondContact O-N 3.06Å; M24-S27 VanDerWaalsContact O-N 3.16Å; M24-S27 PolarHBondContact O-OG 3.13Å; S27-G29 PolarHBondContact O-N 2.8Å
28L72.2Confident66.3Low136 Ų13697.9 Ų97.971%0.71253%0.527SS*.THydrogen-bonded Turntrans-85.67.7175.9-66.4167.8000112.5M24 L26M24-L28 HydrophobicContact CE-CD1 4.43Å; M24-L28 WeakPolarHBondContact O-CB 3.49Å; M24-L28 WeakPolarHBondContact O-CG 3.19Å; M24-L28 PolarHBondContact O-N 3.01Å; M24-L28 HydrophobicContact SD-CD1 4.34Å; L26-L28 PolarHBondContact O-N 2.89Å
29G58.6Low64.4Low24 Ų2497.6 Ų97.625%0.24753%0.534CS..THydrogen-bonded Turntrans85.221.3174.300000115.1Y25 L26 S27 F31 R32Y25-G29 PolarHBondContact O-N 3.37Å; L26-G29 PolarHBondContact O-N 2.87Å; S27-G29 PolarHBondContact O-N 2.8Å; G29-F31 PolarHBondContact O-N 3.08Å; G29-F31 VanDerWaalsContact O-N 3.14Å; G29-R32 WeakPolarHBondContact O-CB 3.32Å; G29-R32 WeakPolarHBondContact O-CG 3.5Å; G29-R32 PolarHBondContact O-N 2.85Å
30G60.4Low62.6Low7 Ų7102.1 Ų102.17%0.07255%0.545CS..Hα-helixtrans-54.8-30.5-179.400000115Y25 R32 S33 L34Y25-G30 VanDerWaalsContact CE1-CA 3.5Å; Y25-G30 VanDerWaalsContact O-CA 3.28Å; Y25-G30 WeakPolarHBondContact O-CA 3.26Å; Y25-G30 PolarHBondContact O-N 3.12Å; Y25-G30 PolarHBondContact OH-O 2.79Å; G30-R32 PolarHBondContact O-N 2.72Å; G30-S33 WeakPolarHBondContact O-CB 3.45Å; G30-S33 PolarHBondContact O-N 3.37Å; G30-L34 PolarHBondContact O-N 2.89Å
31F56.9Low60.8Low137 Ų137103 Ų10360%0.60155%0.55SS**Hα-helixtrans-59.6-28.4171.4-109.4-83.4000113.4L26 G29 S33 L34 S35L26-F31 HydrophobicContact CD2-CD2 3.23Å; L26-F31 HydrophobicContact CD2-CE2 3.39Å; G29-F31 PolarHBondContact O-N 3.08Å; G29-F31 VanDerWaalsContact O-N 3.14Å; F31-S33 VanDerWaalsContact C-N 3.31Å; F31-L34 PolarHBondContact O-N 3.15Å; F31-S35 WeakPolarHBondContact O-CB 3.4Å; F31-S35 PolarHBondContact O-N 2.93Å; F31-S35 PolarHBondContact O-OG 3.39Å
32R53.5Low59.3Low209 Ų209109.3 Ų109.379%0.78957%0.57SS**Hα-helixtrans-67.2-34.1175.9-59.5-178.6173.5-172.4-1.3111.4G29 G30 A36G29-R32 WeakPolarHBondContact O-CB 3.32Å; G29-R32 WeakPolarHBondContact O-CG 3.5Å; G29-R32 PolarHBondContact O-N 2.85Å; G30-R32 PolarHBondContact O-N 2.72Å; R32-A36 PolarHBondContact O-N 3.24Å
33S50.4Low58.4Low64 Ų64106.6 Ų106.645%0.44856%0.558SS.*Hα-helixtrans-71.5-40.6176.6176.50000112.1G30 F31 A36 L37G30-S33 WeakPolarHBondContact O-CB 3.45Å; G30-S33 PolarHBondContact O-N 3.37Å; F31-S33 VanDerWaalsContact C-N 3.31Å; S33-A36 PolarHBondContact O-N 3.19Å; S33-L37 PolarHBondContact O-N 2.88Å; S33-L37 VanDerWaalsContact O-N 3.15Å
34L47.8Very low58.2Low68 Ų68104 Ų10436%0.35655%0.55SS..Hα-helixtrans-69-34.6174.8-75.5164.2000112.6Y25 G30 F31 A36 L37 F38Y25-L34 HydrophobicContact CE1-CD1 4.09Å; G30-L34 PolarHBondContact O-N 2.89Å; F31-L34 PolarHBondContact O-N 3.15Å; L34-A36 VanDerWaalsContact C-N 3.27Å; L34-A36 PolarHBondContact O-N 3.33Å; L34-L37 PolarHBondContact O-N 3.2Å; L34-F38 HydrophobicContact CD2-CD2 4.35Å; L34-F38 HydrophobicContact CD2-CE2 3.99Å; L34-F38 WeakPolarHBondContact O-CD2 3.17Å; L34-F38 PolarHBondContact O-N 3Å
35S48.3Very low58.5Low73 Ų73105 Ų10551%0.5156%0.563SS.*Hα-helixtrans-64.7-31.7173-53.70000112F31 G39F31-S35 WeakPolarHBondContact O-CB 3.4Å; F31-S35 PolarHBondContact O-N 2.93Å; F31-S35 PolarHBondContact O-OG 3.39Å; S35-G39 WeakPolarHBondContact O-CA 3.44Å; S35-G39 PolarHBondContact O-N 3.14Å
36A50.1Low59.3Low81 Ų81102.8 Ų102.867%0.66956%0.555SS**Hα-helixtrans-75.8-27.3174.200000113.3R32 S33 L34R32-A36 PolarHBondContact O-N 3.24Å; S33-A36 PolarHBondContact O-N 3.19Å; L34-A36 VanDerWaalsContact C-N 3.27Å; L34-A36 PolarHBondContact O-N 3.33Å
37L46.6Very low60.1Low128 Ų128103.8 Ų103.867%0.6756%0.561SS**Hα-helixtrans-82.5-31.1178.3-92147.5000113.5S33 L34S33-L37 PolarHBondContact O-N 2.88Å; S33-L37 VanDerWaalsContact O-N 3.15Å; L34-L37 PolarHBondContact O-N 3.2Å
38F49.8Very low61.2Low175 Ų175102.2 Ų102.277%0.76854%0.541SS*.Hα-helixtrans-113.2-13.8-178.5-66.9-74.7000114.5L34 R40L34-F38 HydrophobicContact CD2-CD2 4.35Å; L34-F38 HydrophobicContact CD2-CE2 3.99Å; L34-F38 WeakPolarHBondContact O-CD2 3.17Å; L34-F38 PolarHBondContact O-N 3Å; F38-R40 VanDerWaalsContact C-N 3.35Å; F38-R40 PolarHBondContact O-N 2.98Å
39G44Very low62.2Low53 Ų5399.5 Ų99.555%0.54653%0.534SS..  trans-9359.4175.600000111.7S35 D41S35-G39 WeakPolarHBondContact O-CA 3.44Å; S35-G39 PolarHBondContact O-N 3.14Å; G39-D41 PolarHBondContact O-N 3.45Å; G39-D41 VanDerWaalsContact O-N 3.09Å
40R45.4Very low63.9Low229 Ų229105.3 Ų105.386%0.86455%0.554SS**  trans-68.8105.6163.1-153.6175.9-172.3176.21.4105.6F38 Q42F38-R40 VanDerWaalsContact C-N 3.35Å; F38-R40 PolarHBondContact O-N 2.98Å; R40-Q42 PolarHBondContact O-N 2.87Å
41D48.1Very low65.6Low129 Ų129107.6 Ų107.669%0.6957%0.567SS**  trans-47.7104.7174.9-117.2-24.3000108G39 G43G39-D41 PolarHBondContact O-N 3.45Å; G39-D41 VanDerWaalsContact O-N 3.09Å; D41-G43 PolarHBondContact O-N 3.44Å
42Q50.9Low67.4Low196 Ų196107.1 Ų107.192%0.91656%0.562SS**  trans-75.730.4175.2-65.8-171.212.400110.8R40R40-Q42 PolarHBondContact O-N 2.87Å
43G62.5Low69.4Low23 Ų23100.8 Ų100.824%0.23754%0.543CS..PPolyproline II helixtrans-75153.9175.400000110.7D41 T45D41-G43 PolarHBondContact O-N 3.44Å; G43-T45 PolarHBondContact O-N 3.22Å
44P76.3Confident71.6Confident70 Ų7097.8 Ų97.846%0.45552%0.523SS..PPolyproline II helixtrans-57.5133.3170.725.3-33.9000110.1F46 S282 V283P44-F46 HydrophobicContact CB-CD2 4.4Å; P44-F46 HydrophobicContact CB-CE2 3.7Å; P44-F46 HydrophobicContact CB-CZ 4.08Å; P44-F46 HydrophobicContact CG-CE2 3.67Å; P44-F46 HydrophobicContact CG-CZ 4.25Å; P44-S282 WeakPolarHBondContact O-CB 3.32Å; P44-S282 PolarHBondContact O-OG 3.38Å; P44-V283 HydrophobicContact CG-CG2 4.26Å
45T85.3Confident73.8Confident139 Ų13996 Ų9685%0.85351%0.511SS*.PPolyproline II helixtrans-88.1138.2169.551.70000109.2G43G43-T45 PolarHBondContact O-N 3.22Å
46F91.9Very high75.9Confident51 Ų5193.9 Ų93.922%0.22450%0.496CS..  trans-125.1139.6178.7-71.3-81.6000110P44 Y48 P87 N202 H204 S282 V283P44-F46 HydrophobicContact CB-CD2 4.4Å; P44-F46 HydrophobicContact CB-CE2 3.7Å; P44-F46 HydrophobicContact CB-CZ 4.08Å; P44-F46 HydrophobicContact CG-CE2 3.67Å; P44-F46 HydrophobicContact CG-CZ 4.25Å; F46-Y48 HydrophobicContact CB-CD2 4.25Å; F46-Y48 HydrophobicContact CB-CE2 3.8Å; F46-Y48 PolarHBondContact O-N 3.13Å; F46-P87 HydrophobicContact CB-CG 3.83Å; F46-P87 HydrophobicContact CD1-CG 4.29Å; F46-P87 HydrophobicContact CG-CG 4.38Å; F46-N202 WeakPolarHBondContact CD2-ND2 3.44Å; F46-N202 WeakPolarHBondContact CG-ND2 3.24Å; F46-H204 HydrophobicContact CZ-CB 4.12Å; F46-H204 AromaticContact CZ-CD2 3.82Å; F46-H204 AromaticContact CZ-CG 3.73Å; F46-S282 WeakPolarHBondContact CD2-O 3.42Å; F46-V283 HydrophobicContact CD2-CG2 4.19Å; F46-V283 HydrophobicContact CE2-CG2 3.53Å; F46-V283 HydrophobicContact CZ-CG2 4.41Å
47D92.2Very high77.7Confident93 Ų9392.4 Ų92.450%0.49748%0.478SS..  trans-86.7106172.8179.519.3000110.4S49 H50 P87D47-S49 VanDerWaalsContact C-N 3.33Å; D47-S49 VanDerWaalsContact OD1-CB 3.27Å; D47-S49 WeakPolarHBondContact OD1-CB 3.31Å; D47-S49 PolarHBondContact OD1-N 3.42Å; D47-S49 PolarHBondContact OD1-OG 2.66Å; D47-S49 PolarHBondContact OD2-OG 3.09Å; D47-S49 VanDerWaalsContact OD2-OG 3.07Å; D47-H50 IonicContact OD2-ND1 2.83Å; D47-H50 PolarHBondContact OD2-ND1 3.15Å; D47-H50 VanDerWaalsContact OD2-ND1 3.13Å; D47-P87 WeakPolarHBondContact O-CG 3.47Å
48Y93.8Very high79.6Confident61 Ų6187.1 Ų87.124%0.23945%0.45CS..  trans-86.4-0.1175.9-74.2-90.6000113.4F46 P87 E201 N202 S282 H285F46-Y48 HydrophobicContact CB-CD2 4.25Å; F46-Y48 HydrophobicContact CB-CE2 3.8Å; F46-Y48 PolarHBondContact O-N 3.13Å; Y48-P87 HydrophobicContact CD1-CB 3.77Å; Y48-P87 HydrophobicContact CD1-CG 4.03Å; Y48-P87 HydrophobicContact CD2-CG 4.42Å; Y48-P87 HydrophobicContact CE1-CB 3.96Å; Y48-P87 HydrophobicContact CE1-CG 4.01Å; Y48-P87 HydrophobicContact CE2-CG 4.41Å; Y48-P87 HydrophobicContact CG-CB 4.3Å; Y48-P87 HydrophobicContact CG-CG 4.24Å; Y48-E201 HydrophobicContact CE1-CB 4.2Å; Y48-N202 HydrophobicContact CE1-CB 4.19Å; Y48-N202 VanDerWaalsContact OH-CB 3.32Å; Y48-N202 WeakPolarHBondContact OH-CB 3.27Å; Y48-N202 PolarHBondContact OH-ND2 3.35Å; Y48-N202 VanDerWaalsContact OH-ND2 3.1Å; Y48-S282 WeakPolarHBondContact CE2-O 3.42Å; Y48-S282 PolarHBondContact OH-O 3.45Å; Y48-H285 HydrophobicContact CE1-CB 3.93Å; Y48-H285 AromaticContact CE1-CG 3.84Å; Y48-H285 AromaticContact CE2-CD2 3.92Å; Y48-H285 AromaticContact CE2-CE1 3.96Å; Y48-H285 AromaticContact CE2-NE2 3.78Å; Y48-H285 AromaticContact CZ-CD2 3.57Å; Y48-H285 AromaticContact CZ-CG 3.6Å; Y48-H285 AromaticContact CZ-ND1 3.93Å; Y48-H285 AromaticContact CZ-NE2 3.93Å; Y48-H285 PolarHBondContact OH-CD2 3.45Å; Y48-H285 VanDerWaalsContact OH-CD2 3.28Å
49S93.3Very high81.2Confident79 Ų7983.6 Ų83.655%0.55245%0.447SS*.SBendtrans-77.5-23.6178.868.40000113.3D47 P51D47-S49 VanDerWaalsContact C-N 3.33Å; D47-S49 VanDerWaalsContact OD1-CB 3.27Å; D47-S49 WeakPolarHBondContact OD1-CB 3.31Å; D47-S49 PolarHBondContact OD1-N 3.42Å; D47-S49 PolarHBondContact OD1-OG 2.66Å; D47-S49 PolarHBondContact OD2-OG 3.09Å; D47-S49 VanDerWaalsContact OD2-OG 3.07Å; S49-P51 VanDerWaalsContact C-CD 3.43Å; S49-P51 WeakPolarHBondContact O-CD 3.43Å
50H93.8Very high83.1Confident147 Ų14787.1 Ų87.168%0.68145%0.449SS*.SBendtrans-125.463.5177.8-56.692.5000111.7D47D47-H50 IonicContact OD2-ND1 2.83Å; D47-H50 PolarHBondContact OD2-ND1 3.15Å; D47-H50 VanDerWaalsContact OD2-ND1 3.13Å
51P96.1Very high85Confident54 Ų5476.6 Ų76.635%0.35141%0.41SS..PPolyproline II helixtrans-70.3147-178.132.1-35.5000111.1S49 P87S49-P51 VanDerWaalsContact C-CD 3.43Å; S49-P51 WeakPolarHBondContact O-CD 3.43Å; P51-P87 HydrophobicContact CB-CB 4.3Å
52R96.3Very high86.4Confident128 Ų12873.1 Ų73.148%0.48339%0.394SS..BIsolated β-bridgetrans-83.5160.5177.3-55.4-152.9-169.5163.9-6.2111.8V85 P87 V88 S89R52-V85 HydrophobicContact CB-CG2 4.21Å; R52-V85 HydrophobicContact CG-CB 4.5Å; R52-P87 PolarHBondContact N-O 3.41Å; R52-V88 CarbonylContact O-C 3.47Å; R52-V88 WeakPolarHBondContact O-CA 3.36Å; R52-S89 PolarHBondContact O-N 3.19Å; R52-S89 PolarHBondContact O-OG 2.88Å
53D95.6Very high87.4Confident75 Ų7565.9 Ų65.940%0.40137%0.372SS..PPolyproline II helixtrans-64.8142.7171.7-177.1-94.7000110.9Y55 S56D53-Y55 PolarHBondContact O-N 3.46Å; D53-Y55 VanDerWaalsContact O-N 3.11Å; D53-Y55 WeakPolarHBondContact OD1-CA 3.43Å; D53-Y55 WeakPolarHBondContact OD1-CB 3.2Å; D53-Y55 PolarHBondContact OD1-N 3.45Å; D53-S56 PolarHBondContact N-OG 2.91Å; D53-S56 WeakPolarHBondContact O-CB 3.47Å; D53-S56 PolarHBondContact O-N 3.2Å; D53-S56 PolarHBondContact O-OG 3.05Å
54V95.4Very high87.5Confident2 Ų268.4 Ų68.41%0.01239%0.39CS..THydrogen-bonded Turntrans-65.5-12.7-177.678.10000113.4V88 Y143 H144 P147 F148 R151V54-V88 HydrophobicContact CG2-CB 4.48Å; V54-V88 HydrophobicContact CG2-CG2 4.4Å; V54-Y143 HydrophobicContact CG1-CD1 4.3Å; V54-Y143 HydrophobicContact CG1-CE1 3.86Å; V54-H144 WeakPolarHBondContact CG2-O 3.33Å; V54-P147 HydrophobicContact CG1-CG 4.13Å; V54-P147 HydrophobicContact CG2-CG 4.07Å; V54-P147 WeakPolarHBondContact O-CB 3.26Å; V54-P147 WeakPolarHBondContact O-CG 3.34Å; V54-F148 HydrophobicContact CG2-CB 4.41Å; V54-R151 VanDerWaalsContact O-CZ 3.27Å; V54-R151 PolarHBondContact O-NH1 2.92Å; V54-R151 PolarHBondContact O-NH2 3.06Å; V54-R151 VanDerWaalsContact O-NH2 3.08Å
55Y95.1Very high87Confident29 Ų2968.3 Ų68.311%0.11439%0.39CS..THydrogen-bonded Turntrans-96.73.6172.2-74.1-100.3000113.9D53 L58 R104 N105 Y143 P147D53-Y55 PolarHBondContact O-N 3.46Å; D53-Y55 VanDerWaalsContact O-N 3.11Å; D53-Y55 WeakPolarHBondContact OD1-CA 3.43Å; D53-Y55 WeakPolarHBondContact OD1-CB 3.2Å; D53-Y55 PolarHBondContact OD1-N 3.45Å; Y55-L58 HydrophobicContact CD1-CD1 3.35Å; Y55-L58 HydrophobicContact CE1-CD1 3.99Å; Y55-L58 HydrophobicContact CG-CD1 4.05Å; Y55-L58 PolarHBondContact O-N 3.4Å; Y55-R104 HydrophobicContact CD1-CB 4.27Å; Y55-R104 HydrophobicContact CE1-CB 3.55Å; Y55-R104 HydrophobicContact CE1-CG 4.44Å; Y55-N105 PolarHBondContact OH-ND2 3.12Å; Y55-Y143 HydrophobicContact CD2-CE1 4.25Å; Y55-Y143 HydrophobicContact CD2-CE2 4.32Å; Y55-Y143 AromaticContact CD2-CZ 3.87Å; Y55-Y143 HydrophobicContact CE2-CD1 4.06Å; Y55-Y143 AromaticContact CE2-CD2 3.86Å; Y55-Y143 HydrophobicContact CE2-CD2 3.86Å; Y55-Y143 AromaticContact CE2-CE1 3.66Å; Y55-Y143 HydrophobicContact CE2-CE1 3.66Å; Y55-Y143 AromaticContact CE2-CE2 3.46Å; Y55-Y143 HydrophobicContact CE2-CE2 3.46Å; Y55-Y143 VanDerWaalsContact CE2-CE2 3.46Å; Y55-Y143 HydrophobicContact CE2-CG 4.15Å; Y55-Y143 AromaticContact CE2-CZ 3.34Å; Y55-Y143 WeakPolarHBondContact CE2-O 3.43Å; Y55-Y143 AromaticContact CZ-CE2 3.97Å; Y55-Y143 PolarHBondContact OH-O 2.93Å; Y55-P147 HydrophobicContact CD1-CB 3.99Å; Y55-P147 HydrophobicContact CD1-CG 4.32Å; Y55-P147 HydrophobicContact CD2-CB 4.48Å; Y55-P147 HydrophobicContact CD2-CG 4.13Å; Y55-P147 HydrophobicContact CE1-CB 3.94Å; Y55-P147 HydrophobicContact CE1-CG 3.97Å; Y55-P147 HydrophobicContact CE2-CB 4.43Å; Y55-P147 HydrophobicContact CE2-CG 3.76Å; Y55-P147 HydrophobicContact CG-CB 4.23Å; Y55-P147 HydrophobicContact CG-CG 4.37Å
56S92.3Very high85.9Confident29 Ų2965.8 Ų65.820%0.20339%0.391CS..THydrogen-bonded Turntrans-53.7142.2176.4-60.40000111.5D53 L58 R151D53-S56 PolarHBondContact N-OG 2.91Å; D53-S56 WeakPolarHBondContact O-CB 3.47Å; D53-S56 PolarHBondContact O-N 3.2Å; D53-S56 PolarHBondContact O-OG 3.05Å; S56-L58 PolarHBondContact O-N 3.27Å; S56-L58 VanDerWaalsContact O-N 3.11Å; S56-R151 WeakPolarHBondContact O-CD 3.14Å; S56-R151 PolarHBondContact O-NH1 3.12Å
57N86.9Confident84.3Confident51 Ų5165.1 Ų65.127%0.27340%0.399SS..THydrogen-bonded Turntrans61.55.5178.2-67.9-1.7000117.4S59 H60 V85N57-S59 VanDerWaalsContact C-N 3.26Å; N57-S59 PolarHBondContact O-N 2.83Å; N57-H60 WeakPolarHBondContact O-CB 3.44Å; N57-H60 PolarHBondContact O-N 3.37Å; N57-H60 VanDerWaalsContact O-N 3.17Å; N57-V85 HydrophobicContact CB-CG1 4.2Å; N57-V85 WeakPolarHBondContact ND2-CG1 3.42Å
58L86.6Confident82.7Confident16 Ų1666.5 Ų66.58%0.08441%0.413CS..G310 helixtrans-69-21.6177.2-71.2-177.1000114.5Y55 S56 H60 L61 R107 P147 Q150 R151Y55-L58 HydrophobicContact CD1-CD1 3.35Å; Y55-L58 HydrophobicContact CE1-CD1 3.99Å; Y55-L58 HydrophobicContact CG-CD1 4.05Å; Y55-L58 PolarHBondContact O-N 3.4Å; S56-L58 PolarHBondContact O-N 3.27Å; S56-L58 VanDerWaalsContact O-N 3.11Å; L58-H60 PolarHBondContact O-N 2.84Å; L58-L61 HydrophobicContact CB-CD1 4.32Å; L58-L61 HydrophobicContact CD2-CD1 3.53Å; L58-L61 HydrophobicContact CD2-CG 4.44Å; L58-L61 WeakPolarHBondContact O-CB 3.35Å; L58-L61 PolarHBondContact O-N 3.44Å; L58-R107 PolarHBondContact O-NH1 3.15Å; L58-R107 VanDerWaalsContact O-NH1 3.14Å; L58-P147 HydrophobicContact CD1-CB 3.25Å; L58-P147 HydrophobicContact CD2-CB 4.09Å; L58-P147 HydrophobicContact CG-CB 4.04Å; L58-Q150 HydrophobicContact CD2-CB 4.13Å; L58-R151 HydrophobicContact CD2-CG 4.02Å
59S83.5Confident81.1Confident101 Ų10169.5 Ų69.571%0.70644%0.44SS*.G310 helixtrans-64.9-23172.751.30000112.6N57 L61N57-S59 VanDerWaalsContact C-N 3.26Å; N57-S59 PolarHBondContact O-N 2.83Å; S59-L61 VanDerWaalsContact C-N 3.33Å
60H84Confident79.4Confident128 Ų12867.9 Ų67.959%0.59343%0.432SS*.G310 helixtrans-84.5-4178.4-59.8-63.4000114N57 L58 L83N57-H60 WeakPolarHBondContact O-CB 3.44Å; N57-H60 PolarHBondContact O-N 3.37Å; N57-H60 VanDerWaalsContact O-N 3.17Å; L58-H60 PolarHBondContact O-N 2.84Å; H60-L83 HydrophobicContact CB-CD2 3.99Å
61L85.4Confident78Confident8 Ų865.5 Ų65.54%0.04243%0.429CS..  trans-63.3129.5175.7-78.4168.3000110.1L58 S59 L83 R107 Y114 Q150L58-L61 HydrophobicContact CB-CD1 4.32Å; L58-L61 HydrophobicContact CD2-CD1 3.53Å; L58-L61 HydrophobicContact CD2-CG 4.44Å; L58-L61 WeakPolarHBondContact O-CB 3.35Å; L58-L61 PolarHBondContact O-N 3.44Å; S59-L61 VanDerWaalsContact C-N 3.33Å; L61-L83 HydrophobicContact CD2-CD1 3.36Å; L61-L83 HydrophobicContact CG-CD1 4.14Å; L61-R107 PolarHBondContact O-NH2 3.39Å; L61-Y114 WeakPolarHBondContact CD2-OH 3.47Å; L61-Q150 HydrophobicContact CD1-CB 4Å
62P78.1Confident76.4Confident56 Ų5672.6 Ų72.636%0.36446%0.457SS..SBendtrans-69.7154.4179.228.5-33.6000111.4
63G70.5Confident75.6Confident43 Ų4370.3 Ų70.344%0.44347%0.474SS..SBendtrans86.3136.6177.800000113.8R107G63-R107 PolarHBondContact O-NE 2.77Å; G63-R107 PolarHBondContact O-NH2 3.17Å
64A65.8Low75.1Confident76 Ų7669 Ų6963%0.62847%0.467SS*.  trans-70.8143.8170.400000110G66 G67A64-G66 PolarHBondContact O-N 3.22Å; A64-G67 PolarHBondContact O-N 2.83Å; A64-G67 VanDerWaalsContact O-N 3.11Å
65P65.7Low75Confident69 Ų6973.3 Ų73.345%0.44850%0.495SS..THydrogen-bonded Turntrans-53.6129.2170.2-23.934000111.3G67 P106 R107P65-G67 VanDerWaalsContact C-N 3.26Å; P65-G67 PolarHBondContact O-N 3.38Å; P65-P106 HydrophobicContact CB-CB 3.89Å; P65-P106 HydrophobicContact CB-CG 4.36Å; P65-P106 HydrophobicContact CG-CB 3.91Å; P65-P106 HydrophobicContact CG-CG 3.86Å; P65-R107 HydrophobicContact CG-CG 4.29Å
66G61.8Low75.1Confident85 Ų8579 Ų7988%0.87652%0.517SS*.THydrogen-bonded Turntrans6917.9-179.200000115.3A64A64-G66 PolarHBondContact O-N 3.22Å
67G59.3Low75.2Confident38 Ų3877.8 Ų77.839%0.39251%0.508SS..PPolyproline II helixtrans-65.4163.2174.400000113.2A64 P65A64-G67 PolarHBondContact O-N 2.83Å; A64-G67 VanDerWaalsContact O-N 3.11Å; P65-G67 VanDerWaalsContact C-N 3.26Å; P65-G67 PolarHBondContact O-N 3.38Å
68P58Low75.6Confident121 Ų12178.4 Ų78.479%0.78652%0.515SS*.PPolyproline II helixtrans-57.2151176.224.1-32.4000111
69P59Low75.9Confident125 Ų12585.7 Ų85.781%0.81255%0.549SS*.PPolyproline II helixtrans-53.5144.1178.720.2-30.7000110.8
70A59.2Low76.4Confident45 Ų4588.9 Ų88.937%0.37255%0.545SS..PPolyproline II helixtrans-47.8140.8179.200000112L74A70-L74 HydrophobicContact CB-CD1 3.43Å; A70-L74 VanDerWaalsContact CB-CD1 3.43Å; A70-L74 HydrophobicContact CB-CG 4.32Å
71P63Low76.9Confident96 Ų9683.2 Ų83.262%0.62352%0.52SS*.PPolyproline II helixtrans-53.6143.1173.1-21.731.2000111.3G73P71-G73 PolarHBondContact O-N 3.36Å
72Q63.9Low77.4Confident203 Ų20387.5 Ų87.595%0.94955%0.549SS*.THydrogen-bonded Turntrans-62.4135.1173.8-66.9-179.52.800110
73G78.9Confident78.2Confident81 Ų8185.6 Ų85.684%0.83554%0.535SS*.THydrogen-bonded Turntrans89.625.4177.800000115.8P71P71-G73 PolarHBondContact O-N 3.36Å
74L85.8Confident79.4Confident48 Ų4884.6 Ų84.625%0.25152%0.519SS..PPolyproline II helixtrans-60.6146.1169.2-73.7-176.6000111.7A70 A117A70-L74 HydrophobicContact CB-CD1 3.43Å; A70-L74 VanDerWaalsContact CB-CD1 3.43Å; A70-L74 HydrophobicContact CB-CG 4.32Å; L74-A117 WeakPolarHBondContact CD1-O 3.31Å
75P93.4Very high80.9Confident92 Ų9281.7 Ų81.760%0.59749%0.494SS*.PPolyproline II helixtrans-64.5153.1170.529.6-35000110.5C119 E120P75-C119 CarbonylContact O-C 3.58Å; P75-C119 WeakPolarHBondContact O-CA 3.32Å; P75-C119 WeakPolarHBondContact O-CB 3.42Å; P75-E120 PolarHBondContact O-N 2.99Å
76Y95.6Very high82.4Confident148 Ų14878.5 Ų78.558%0.5847%0.474SS*.BIsolated β-bridgetrans-58.4144169.2-72.4-72.2000111.4E120 R122Y76-E120 CarbonylContact C-O 3.56Å; Y76-E120 VanDerWaalsContact CA-O 3.32Å; Y76-E120 WeakPolarHBondContact CA-O 3.19Å; Y76-E120 HydrophobicContact CD1-CB 3.84Å; Y76-E120 HydrophobicContact CD1-CG 3.69Å; Y76-E120 HydrophobicContact CE1-CB 4.2Å; Y76-E120 HydrophobicContact CE1-CG 3.56Å; Y76-E120 HydrophobicContact CG-CB 4.48Å; Y76-R122 HydrophobicContact CD1-CG 4.3Å
77C95.9Very high84.1Confident3 Ų375 Ų752%0.0244%0.436CS..PPolyproline II helixtrans-54.5148.2170.6-600000109.6C119 E120 R122 Q153C77-C119 WeakPolarHBondContact CA-SG 3.34Å; C77-C119 HydrophobicContact CB-CB 3.89Å; C77-C119 WeakPolarHBondContact CB-SG 3.47Å; C77-C119 WeakPolarHBondContact SG-CB 3.47Å; C77-C119 CovalentContact SG-SG 2.04Å; C77-C119 PolarHBondContact SG-SG 3.29Å; C77-E120 PolarHBondContact N-O 3.47Å; C77-E120 PolarHBondContact SG-O 3.15Å; C77-E120 VanDerWaalsContact SG-O 3.37Å; C77-R122 PolarHBondContact O-NE 3.29Å; C77-R122 PolarHBondContact O-NH2 2.98Å; C77-Q153 HydrophobicContact CB-CB 4.21Å
78P95.1Very high85.9Confident64 Ų6473.3 Ų73.342%0.41642%0.418SS..PPolyproline II helixtrans-59.5148.217924.7-33000110.8R80 P82P78-R80 PolarHBondContact O-N 2.96Å; P78-P82 HydrophobicContact CG-CG 4.47Å
79E92.5Very high87.7Confident169 Ų16969.7 Ų69.779%0.7940%0.395SS*.SBendtrans-56-36.3-179.1-67.9-172.516700112.6
80R93.6Very high89.4Confident168 Ų16864.3 Ų64.363%0.63436%0.36SS*.SBendtrans-115118168.7-173.8176.6-179.1-169.5-0.6108.2P78 L84 H204P78-R80 PolarHBondContact O-N 2.96Å; R80-L84 HydrophobicContact CG-CD1 4.17Å; R80-H204 PolarHBondContact NH2-CD2 3.05Å; R80-H204 VanDerWaalsContact NH2-CD2 3.28Å; R80-H204 PolarHBondContact NH2-NE2 2.79Å
81S95.6Very high90.9Very high9 Ų966 Ų666%0.06337%0.369CS..  trans-57.8132.3176167.80000110.7L83 L84 R151 Q153S81-L83 PolarHBondContact O-N 3.44Å; S81-L83 WeakPolarHBondContact OG-CB 3.49Å; S81-L83 PolarHBondContact OG-N 3.21Å; S81-L83 VanDerWaalsContact OG-N 3.09Å; S81-L84 WeakPolarHBondContact O-CG 3.43Å; S81-R151 WeakPolarHBondContact CB-O 3.28Å; S81-R151 PolarHBondContact OG-O 3.46Å; S81-Q153 PolarHBondContact OG-OE1 3.47Å
82P94.7Very high92.3Very high99 Ų9964.1 Ų64.164%0.64335%0.351SS*.THydrogen-bonded Turntrans-74.3-6.1174.933.2-36.3000112.2P78P78-P82 HydrophobicContact CG-CG 4.47Å
83L95.5Very high93.5Very high15 Ų1558.8 Ų58.88%0.07934%0.336CS..THydrogen-bonded Turntrans-87.5-16.1-176.8-56172.2000112.8H60 L61 S81 V85 R151 Q153H60-L83 HydrophobicContact CB-CD2 3.99Å; L61-L83 HydrophobicContact CD2-CD1 3.36Å; L61-L83 HydrophobicContact CG-CD1 4.14Å; S81-L83 PolarHBondContact O-N 3.44Å; S81-L83 WeakPolarHBondContact OG-CB 3.49Å; S81-L83 PolarHBondContact OG-N 3.21Å; S81-L83 VanDerWaalsContact OG-N 3.09Å; L83-V85 WeakPolarHBondContact O-CG1 3.41Å; L83-R151 HydrophobicContact CB-CB 4.22Å; L83-R151 HydrophobicContact CB-CG 4.13Å; L83-R151 VanDerWaalsContact O-CD 3.23Å; L83-R151 WeakPolarHBondContact O-CD 3.47Å; L83-Q153 HydrophobicContact CD1-CG 3.99Å
84L96.3Very high94.1Very high22 Ų2260.5 Ų60.512%0.11533%0.333CS..  trans-58.1138.5-178.6-57.3-177.8000111.3R80 S81 R151 Q152 D203 L206R80-L84 HydrophobicContact CG-CD1 4.17Å; S81-L84 WeakPolarHBondContact O-CG 3.43Å; L84-R151 HydrophobicContact CD2-CB 4.49Å; L84-Q152 HydrophobicContact CD2-CG 3.82Å; L84-D203 WeakPolarHBondContact CA-OD2 3.46Å; L84-D203 HydrophobicContact CD2-CB 4.28Å; L84-D203 WeakPolarHBondContact CD2-O 3.43Å; L84-L206 HydrophobicContact CD1-CD2 4.13Å
85V96.4Very high94.4Very high15 Ų1559.7 Ų59.79%0.09133%0.33CS..  trans-115-7.7-176.1-59.90000114.5R52 N57 L83 V88 D203R52-V85 HydrophobicContact CB-CG2 4.21Å; R52-V85 HydrophobicContact CG-CB 4.5Å; N57-V85 HydrophobicContact CB-CG1 4.2Å; N57-V85 WeakPolarHBondContact ND2-CG1 3.42Å; L83-V85 WeakPolarHBondContact O-CG1 3.41Å; V85-V88 HydrophobicContact CG2-CG1 3.63Å; V85-D203 WeakPolarHBondContact CG2-OD2 3.35Å; V85-D203 VanDerWaalsContact N-CG 3.35Å; V85-D203 PolarHBondContact N-OD1 3.08Å; V85-D203 PolarHBondContact N-OD2 3.1Å
86G96.6Very high94.5Very high2 Ų255.7 Ų55.72%0.02130%0.304CS..SBendtrans86.4-138.6-176.200000111.8V88 N202 D203 H204G86-V88 PolarHBondContact O-N 3.44Å; G86-N202 VanDerWaalsContact C-OD1 3.32Å; G86-N202 WeakPolarHBondContact CA-OD1 3.47Å; G86-N202 WeakPolarHBondContact O-CA 3.29Å; G86-N202 PolarHBondContact O-OD1 2.9Å; G86-D203 WeakPolarHBondContact CA-OD1 3.36Å; G86-D203 PolarHBondContact N-OD1 2.75Å; G86-D203 PolarHBondContact O-N 3.11Å; G86-D203 VanDerWaalsContact O-N 3.13Å; G86-H204 VanDerWaalsContact CA-ND1 3.34Å; G86-H204 WeakPolarHBondContact CA-ND1 3.24Å; G86-H204 PolarHBondContact N-CE1 3.5Å; G86-H204 PolarHBondContact N-ND1 2.98Å
87P97.8Very high94.6Very high12 Ų1251.4 Ų51.48%0.07830%0.295CS..BIsolated β-bridgetrans-55.4129.6177.3-29.738.7000113F46 D47 Y48 P51 R52 E201F46-P87 HydrophobicContact CB-CG 3.83Å; F46-P87 HydrophobicContact CD1-CG 4.29Å; F46-P87 HydrophobicContact CG-CG 4.38Å; D47-P87 WeakPolarHBondContact O-CG 3.47Å; Y48-P87 HydrophobicContact CD1-CB 3.77Å; Y48-P87 HydrophobicContact CD1-CG 4.03Å; Y48-P87 HydrophobicContact CD2-CG 4.42Å; Y48-P87 HydrophobicContact CE1-CB 3.96Å; Y48-P87 HydrophobicContact CE1-CG 4.01Å; Y48-P87 HydrophobicContact CE2-CG 4.41Å; Y48-P87 HydrophobicContact CG-CB 4.3Å; Y48-P87 HydrophobicContact CG-CG 4.24Å; P51-P87 HydrophobicContact CB-CB 4.3Å; R52-P87 PolarHBondContact N-O 3.41Å; P87-E201 CarbonylContact C-O 3.51Å; P87-E201 VanDerWaalsContact CA-O 3.24Å; P87-E201 WeakPolarHBondContact CA-O 3.38Å
88V97.7Very high94.6Very high3 Ų355 Ų552%0.01831%0.314CS..BIsolated β-bridgetrans-120.3143.9176.9-67.50000110.9R52 V54 V85 G86 F148 E201R52-V88 CarbonylContact O-C 3.47Å; R52-V88 WeakPolarHBondContact O-CA 3.36Å; V54-V88 HydrophobicContact CG2-CB 4.48Å; V54-V88 HydrophobicContact CG2-CG2 4.4Å; V85-V88 HydrophobicContact CG2-CG1 3.63Å; G86-V88 PolarHBondContact O-N 3.44Å; V88-F148 HydrophobicContact CG2-CD2 4.14Å; V88-F148 HydrophobicContact CG2-CE2 4.14Å; V88-E201 PolarHBondContact N-O 2.69Å
89S95.5Very high94.7Very high45 Ų4555.3 Ų55.332%0.31532%0.322SS..  trans-75.8140.7-177.666.80000110.1R52R52-S89 PolarHBondContact O-N 3.19Å; R52-S89 PolarHBondContact O-OG 2.88Å
90V93.6Very high95Very high12 Ų1250.3 Ų50.37%0.07330%0.299CS..  trans-117.6113.1173.8176.90000109F92 H144 L199 E201 K287V90-F92 HydrophobicContact CG1-CD1 4.13Å; V90-F92 HydrophobicContact CG1-CE1 3.53Å; V90-F92 HydrophobicContact CG1-CZ 4.15Å; V90-H144 VanDerWaalsContact CG2-CE1 3.47Å; V90-H144 WeakPolarHBondContact CG2-CE1 3.24Å; V90-L199 HydrophobicContact CG1-CB 3.9Å; V90-L199 HydrophobicContact CG1-CD1 3.53Å; V90-L199 HydrophobicContact CG1-CG 4.28Å; V90-L199 HydrophobicContact CG2-CB 4.05Å; V90-E201 HydrophobicContact CG2-CG 3.7Å; V90-K287 HydrophobicContact CB-CB 4.22Å; V90-K287 HydrophobicContact CB-CD 3.7Å; V90-K287 HydrophobicContact CG1-CB 4.02Å; V90-K287 HydrophobicContact CG1-CD 3.75Å; V90-K287 HydrophobicContact CG1-CG 4.48Å; V90-K287 HydrophobicContact CG2-CB 4.36Å; V90-K287 PolarHBondContact O-NZ 2.91Å
91S90.7Very high95.2Very high79 Ų7942.3 Ų42.355%0.55227%0.268SS*.  trans-108.1144.2171.7-173.30000111.2S93S91-S93 PolarHBondContact OG-N 3.24Å; S91-S93 PolarHBondContact OG-O 3.29Å
92F92.5Very high95.3Very high57 Ų5744.5 Ų44.525%0.2528%0.282CS..  trans-106.30.8175.8-51.7-46.1000112.7V90 V95 L140 L199 K287 M288 V289V90-F92 HydrophobicContact CG1-CD1 4.13Å; V90-F92 HydrophobicContact CG1-CE1 3.53Å; V90-F92 HydrophobicContact CG1-CZ 4.15Å; F92-V95 WeakPolarHBondContact O-CG2 3.42Å; F92-L140 HydrophobicContact CB-CD1 4.4Å; F92-L140 HydrophobicContact CD1-CD1 4.26Å; F92-L199 HydrophobicContact CD1-CD1 4.41Å; F92-L199 HydrophobicContact CE1-CD1 4.09Å; F92-K287 HydrophobicContact CE1-CD 4.36Å; F92-K287 HydrophobicContact CE2-CD 4.12Å; F92-K287 HydrophobicContact CE2-CG 4.4Å; F92-K287 HydrophobicContact CZ-CB 4.24Å; F92-K287 HydrophobicContact CZ-CD 3.64Å; F92-K287 HydrophobicContact CZ-CG 3.72Å; F92-M288 WeakPolarHBondContact CZ-O 3.2Å; F92-V289 HydrophobicContact CD1-CB 4.41Å; F92-V289 HydrophobicContact CD1-CG1 4.36Å; F92-V289 HydrophobicContact CD1-CG2 3.8Å; F92-V289 HydrophobicContact CE1-CB 4.19Å; F92-V289 HydrophobicContact CE1-CG2 3.55Å; F92-V289 HydrophobicContact CZ-CG2 4.38Å
93S89.1Confident95.4Very high92 Ų9247.3 Ų47.364%0.64329%0.286SS*.SBendtrans-152.7141.2-178-173.20000111.7S91S91-S93 PolarHBondContact OG-N 3.24Å; S91-S93 PolarHBondContact OG-O 3.29Å
94P91.6Very high95.4Very high117 Ų11751.9 Ų51.976%0.7630%0.302SS*.SBendcis-66.3159.5-1131.2-35.6000111
95V93.3Very high95.4Very high31 Ų3151 Ų5119%0.18830%0.298CS..PPolyproline II helixtrans-88.8119.6176.7179.80000109.8F92 H136 R139 L140F92-V95 WeakPolarHBondContact O-CG2 3.42Å; V95-H136 WeakPolarHBondContact CG2-CE1 3.44Å; V95-H136 WeakPolarHBondContact CG2-ND1 3.41Å; V95-H136 WeakPolarHBondContact CG2-NE2 3.36Å; V95-R139 HydrophobicContact CG1-CB 4.02Å; V95-R139 PolarHBondContact O-NH1 3.2Å; V95-L140 HydrophobicContact CB-CD2 4.39Å; V95-L140 HydrophobicContact CG1-CD2 4.19Å; V95-L140 HydrophobicContact CG1-CG 4.14Å; V95-L140 HydrophobicContact CG2-CD1 4.31Å; V95-L140 HydrophobicContact CG2-CD2 3.88Å; V95-L140 HydrophobicContact CG2-CG 4.17Å
96P94.8Very high95.4Very high8 Ų853.7 Ų53.75%0.05232%0.316CS..PPolyproline II helixtrans-65.3148.5-171.926.1-33.4000111I101 R139 Y143P96-I101 HydrophobicContact CB-CD1 4.33Å; P96-I101 HydrophobicContact CB-CG1 3.94Å; P96-I101 HydrophobicContact CG-CD1 4.05Å; P96-I101 HydrophobicContact CG-CG1 4.03Å; P96-R139 WeakPolarHBondContact O-CD 3.38Å; P96-R139 PolarHBondContact O-NH1 2.88Å; P96-Y143 HydrophobicContact CB-CD2 3.84Å; P96-Y143 HydrophobicContact CB-CE2 4.38Å; P96-Y143 HydrophobicContact CB-CG 4.41Å; P96-Y143 HydrophobicContact CG-CD2 3.59Å; P96-Y143 HydrophobicContact CG-CE2 4.41Å; P96-Y143 HydrophobicContact CG-CG 3.65Å
97S97.3Very high95.3Very high57 Ų5756.3 Ų56.340%0.39933%0.325SS..PPolyproline II helixtrans-74.6156.9171.674.90000110.2A99 E100 I101S97-A99 PolarHBondContact O-N 2.9Å; S97-E100 PolarHBondContact O-N 3.23Å; S97-E100 WeakPolarHBondContact OG-CB 3.42Å; S97-E100 PolarHBondContact OG-N 3.02Å; S97-E100 VanDerWaalsContact OG-N 3.08Å; S97-I101 WeakPolarHBondContact O-CG1 3.46Å; S97-I101 PolarHBondContact O-N 3.44Å; S97-I101 VanDerWaalsContact O-N 3.1Å
98L96.8Very high95.2Very high78 Ų7856.6 Ų56.641%0.40833%0.326SS..Hα-helixtrans-59.9-38.4174.9-73.8172.6000111.7E100 I101 V102 R139 L142 L334L98-E100 PolarHBondContact O-N 2.88Å; L98-I101 HydrophobicContact CD2-CD1 4.48Å; L98-I101 PolarHBondContact O-N 3.27Å; L98-V102 WeakPolarHBondContact O-CG2 3.09Å; L98-V102 PolarHBondContact O-N 3.05Å; L98-R139 HydrophobicContact CD2-CG 3.93Å; L98-R139 HydrophobicContact CG-CG 4.18Å; L98-L142 HydrophobicContact CD2-CD1 4.15Å; L98-L334 HydrophobicContact CD2-CD1 4.05Å
99A97.8Very high95.2Very high72 Ų7262 Ų6260%0.59535%0.352SS*.Hα-helixtrans-61.3-43.5177.400000112S97 I101 V102 E103S97-A99 PolarHBondContact O-N 2.9Å; A99-I101 VanDerWaalsContact C-N 3.34Å; A99-I101 PolarHBondContact O-N 3.31Å; A99-V102 PolarHBondContact O-N 3.26Å; A99-E103 PolarHBondContact O-N 3.18Å
100E97.5Very high95.2Very high63 Ų6364.4 Ų64.429%0.29437%0.366SS..Hα-helixtrans-61.8-41.8175.4-176.1-172.8171.400111.7S97 L98 V102 E103 R104S97-E100 PolarHBondContact O-N 3.23Å; S97-E100 WeakPolarHBondContact OG-CB 3.42Å; S97-E100 PolarHBondContact OG-N 3.02Å; S97-E100 VanDerWaalsContact OG-N 3.08Å; L98-E100 PolarHBondContact O-N 2.88Å; E100-V102 VanDerWaalsContact C-N 3.33Å; E100-V102 PolarHBondContact O-N 2.75Å; E100-E103 PolarHBondContact O-N 2.72Å; E100-R104 WeakPolarHBondContact O-CB 3.42Å; E100-R104 WeakPolarHBondContact O-CG 3.34Å; E100-R104 PolarHBondContact O-N 3.18Å; E100-R104 IonicContact OE1-CZ 3.61Å; E100-R104 IonicContact OE1-NE 2.88Å; E100-R104 PolarHBondContact OE1-NE 3.25Å; E100-R104 IonicContact OE1-NH2 3.2Å; E100-R104 PolarHBondContact OE1-NH2 2.94Å
101I98Very high95.4Very high0 Ų063.9 Ų63.90%036%0.363CS..Hα-helixtrans-65.2-40.5178.9-58.6163.2000110.5P96 S97 L98 A99 R104 N105 R139 L142 Y143 L334P96-I101 HydrophobicContact CB-CD1 4.33Å; P96-I101 HydrophobicContact CB-CG1 3.94Å; P96-I101 HydrophobicContact CG-CD1 4.05Å; P96-I101 HydrophobicContact CG-CG1 4.03Å; S97-I101 WeakPolarHBondContact O-CG1 3.46Å; S97-I101 PolarHBondContact O-N 3.44Å; S97-I101 VanDerWaalsContact O-N 3.1Å; L98-I101 HydrophobicContact CD2-CD1 4.48Å; L98-I101 PolarHBondContact O-N 3.27Å; A99-I101 VanDerWaalsContact C-N 3.34Å; A99-I101 PolarHBondContact O-N 3.31Å; I101-R104 PolarHBondContact O-N 3.29Å; I101-N105 WeakPolarHBondContact O-CB 3.35Å; I101-N105 PolarHBondContact O-N 3.4Å; I101-N105 VanDerWaalsContact O-N 3.14Å; I101-N105 PolarHBondContact O-ND2 3.48Å; I101-R139 HydrophobicContact CD1-CB 4.17Å; I101-R139 HydrophobicContact CD1-CG 4.44Å; I101-R139 WeakPolarHBondContact CD1-O 3.1Å; I101-L142 HydrophobicContact CD1-CB 4.34Å; I101-L142 HydrophobicContact CG2-CB 4.4Å; I101-Y143 HydrophobicContact CG1-CD2 4.15Å; I101-L334 HydrophobicContact CB-CD1 3.67Å; I101-L334 HydrophobicContact CG2-CD1 3.48Å; I101-L334 VanDerWaalsContact CG2-CD1 3.48Å; I101-L334 HydrophobicContact CG2-CD2 3.95Å; I101-L334 HydrophobicContact CG2-CG 4.36Å
102V98.1Very high95.8Very high56 Ų5660.1 Ų60.134%0.33934%0.337SS..Hα-helixtrans-60.4-49.9174.7171.40000110.7L98 A99 E100 R104 N105 P333 L334L98-V102 WeakPolarHBondContact O-CG2 3.09Å; L98-V102 PolarHBondContact O-N 3.05Å; A99-V102 PolarHBondContact O-N 3.26Å; E100-V102 VanDerWaalsContact C-N 3.33Å; E100-V102 PolarHBondContact O-N 2.75Å; V102-R104 VanDerWaalsContact C-N 3.29Å; V102-R104 PolarHBondContact O-N 2.68Å; V102-N105 CarbonylContact O-C 3.33Å; V102-N105 PolarHBondContact O-N 2.9Å; V102-P333 HydrophobicContact CG2-CB 3.78Å; V102-P333 HydrophobicContact CG2-CG 3.85Å; V102-L334 HydrophobicContact CG2-CD1 3.82Å; V102-L334 HydrophobicContact CG2-CD2 3.96Å; V102-L334 HydrophobicContact CG2-CG 3.7Å
103E96.4Very high96.1Very high158 Ų15859.5 Ų59.574%0.73833%0.333SS*.Hα-helixtrans-58.9-40.8-179.9-175179.7179.600112.1A99 E100 N105A99-E103 PolarHBondContact O-N 3.18Å; E100-E103 PolarHBondContact O-N 2.72Å; E103-N105 VanDerWaalsContact C-N 3.28Å; E103-N105 PolarHBondContact O-N 3.3Å
104R95.8Very high96.5Very high111 Ų11155.6 Ų55.642%0.41930%0.304SS..Hα-helixtrans-73.9-15.1178-69.9178.5176.4-93.61114.1Y55 E100 I101 V102 P106Y55-R104 HydrophobicContact CD1-CB 4.27Å; Y55-R104 HydrophobicContact CE1-CB 3.55Å; Y55-R104 HydrophobicContact CE1-CG 4.44Å; E100-R104 WeakPolarHBondContact O-CB 3.42Å; E100-R104 WeakPolarHBondContact O-CG 3.34Å; E100-R104 PolarHBondContact O-N 3.18Å; E100-R104 IonicContact OE1-CZ 3.61Å; E100-R104 IonicContact OE1-NE 2.88Å; E100-R104 PolarHBondContact OE1-NE 3.25Å; E100-R104 IonicContact OE1-NH2 3.2Å; E100-R104 PolarHBondContact OE1-NH2 2.94Å; I101-R104 PolarHBondContact O-N 3.29Å; V102-R104 VanDerWaalsContact C-N 3.29Å; V102-R104 PolarHBondContact O-N 2.68Å; R104-P106 WeakPolarHBondContact O-CD 3.43Å
105N96.6Very high96.7Very high3 Ų355 Ų552%0.01629%0.286CS..  trans-124.560.7-178.1-65.7-81.2000111.7Y55 I101 V102 E103 R107 V108 H146 Q150Y55-N105 PolarHBondContact OH-ND2 3.12Å; I101-N105 WeakPolarHBondContact O-CB 3.35Å; I101-N105 PolarHBondContact O-N 3.4Å; I101-N105 VanDerWaalsContact O-N 3.14Å; I101-N105 PolarHBondContact O-ND2 3.48Å; V102-N105 CarbonylContact O-C 3.33Å; V102-N105 PolarHBondContact O-N 2.9Å; E103-N105 VanDerWaalsContact C-N 3.28Å; E103-N105 PolarHBondContact O-N 3.3Å; N105-R107 PolarHBondContact O-N 2.94Å; N105-V108 HydrophobicContact CB-CB 4.36Å; N105-V108 HydrophobicContact CB-CG2 3.8Å; N105-V108 PolarHBondContact O-N 3Å; N105-H146 HydrophobicContact CB-CB 4.45Å; N105-H146 WeakPolarHBondContact OD1-CB 3.43Å; N105-Q150 PolarHBondContact OD1-NE2 3.33Å
106P95.2Very high96.7Very high72 Ų7253.7 Ų53.747%0.46828%0.279SS..THydrogen-bonded Turntrans-68.7-12.3-172.231.5-38.8000113.8P65 R104P65-P106 HydrophobicContact CB-CB 3.89Å; P65-P106 HydrophobicContact CB-CG 4.36Å; P65-P106 HydrophobicContact CG-CB 3.91Å; P65-P106 HydrophobicContact CG-CG 3.86Å; R104-P106 WeakPolarHBondContact O-CD 3.43Å
107R94.4Very high96.5Very high56 Ų5655.7 Ų55.721%0.21130%0.296CS..THydrogen-bonded Turntrans-91.2-3.6176.8-59.7-173.1-176.599.9-5.8113.5L58 L61 G63 P65 N105 Y114L58-R107 PolarHBondContact O-NH1 3.15Å; L58-R107 VanDerWaalsContact O-NH1 3.14Å; L61-R107 PolarHBondContact O-NH2 3.39Å; G63-R107 PolarHBondContact O-NE 2.77Å; G63-R107 PolarHBondContact O-NH2 3.17Å; P65-R107 HydrophobicContact CG-CG 4.29Å; N105-R107 PolarHBondContact O-N 2.94Å; R107-Y114 HydrophobicContact CB-CD2 4.22Å; R107-Y114 HydrophobicContact CB-CE2 4.11Å
108V96.8Very high96.1Very high19 Ų1954.7 Ų54.712%0.11529%0.294CS..PPolyproline II helixtrans-82.4124.5175.1176.20000108.4N105 R113 H146 L334N105-V108 HydrophobicContact CB-CB 4.36Å; N105-V108 HydrophobicContact CB-CG2 3.8Å; N105-V108 PolarHBondContact O-N 3Å; V108-R113 CarbonylContact C-O 3.44Å; V108-R113 WeakPolarHBondContact CA-O 3.37Å; V108-H146 HydrophobicContact CG2-CB 4.4Å; V108-L334 HydrophobicContact CG1-CD2 4.43Å
109E96.6Very high95.9Very high117 Ų11751.3 Ų51.355%0.54728%0.277SS..BIsolated β-bridgetrans-86.9159.9179.3-67.9176.4-179.500111.3G112 R113E109-G112 PolarHBondContact O-N 2.96Å; E109-R113 HydrophobicContact CB-CB 4.07Å; E109-R113 PolarHBondContact N-O 3.25Å; E109-R113 PolarHBondContact O-N 3.34Å; E109-R113 VanDerWaalsContact O-N 3.09Å
110P97.5Very high95.8Very high95 Ų9551.4 Ų51.462%0.61727%0.265SS*.THydrogen-bonded Turntrans-48.9142.6173.2-27.335.4000112.9G112P110-G112 VanDerWaalsContact C-N 3.32Å
111G97.8Very high95.7Very high1 Ų148.9 Ų48.91%0.0125%0.254CS..THydrogen-bonded Turntrans83.53.8-168.500000114.1G332 Y335 T336G111-G332 WeakPolarHBondContact CA-O 3.42Å; G111-G332 PolarHBondContact N-O 2.91Å; G111-Y335 VanDerWaalsContact C-C 3.43Å; G111-Y335 CarbonylContact O-C 3.5Å; G111-T336 VanDerWaalsContact CA-OG1 3.31Å; G111-T336 WeakPolarHBondContact CA-OG1 3.34Å; G111-T336 PolarHBondContact O-N 3.37Å; G111-T336 PolarHBondContact O-OG1 3.34Å
112G98.3Very high95.5Very high0 Ų055.2 Ų55.20%028%0.278CS..THydrogen-bonded Turntrans68.937.6-175.800000112.4E109 P110 I158 L334E109-G112 PolarHBondContact O-N 2.96Å; P110-G112 VanDerWaalsContact C-N 3.32Å; G112-I158 PolarHBondContact O-N 3.31Å; G112-L334 WeakPolarHBondContact CA-O 3.48Å
113R98.3Very high95.4Very high44 Ų4453.3 Ų53.317%0.16627%0.267CS..EExtended strand (participates in β ladder)trans-93.2146.4-177.6-77.2-61-135.3-104.110110.6V108 E109 Y156 Y159 E186V108-R113 CarbonylContact C-O 3.44Å; V108-R113 WeakPolarHBondContact CA-O 3.37Å; E109-R113 HydrophobicContact CB-CB 4.07Å; E109-R113 PolarHBondContact N-O 3.25Å; E109-R113 PolarHBondContact O-N 3.34Å; E109-R113 VanDerWaalsContact O-N 3.09Å; R113-Y156 WeakPolarHBondContact CA-O 3.48Å; R113-Y156 WeakPolarHBondContact CD-O 3.5Å; R113-Y159 PolarHBondContact NH1-OH 3.39Å; R113-E186 IonicContact CZ-OE2 3.25Å; R113-E186 IonicContact NE-OE2 3.36Å; R113-E186 IonicContact NH2-OE2 3.44Å; R113-E186 PolarHBondContact NH2-OE2 3.44Å
114Y97.5Very high95.5Very high10 Ų1049.2 Ų49.24%0.03925%0.245CC..EExtended strand (participates in β ladder)trans-151.3144.1171.8168.9-95.5000110.2L61 R107 P116 Q150 L154 A155 Y156L61-Y114 WeakPolarHBondContact CD2-OH 3.47Å; R107-Y114 HydrophobicContact CB-CD2 4.22Å; R107-Y114 HydrophobicContact CB-CE2 4.11Å; Y114-P116 HydrophobicContact CE1-CG 4.1Å; Y114-Q150 HydrophobicContact CD1-CG 3.88Å; Y114-Q150 HydrophobicContact CD2-CG 3.71Å; Y114-Q150 HydrophobicContact CE1-CB 4.08Å; Y114-Q150 HydrophobicContact CE1-CG 3.83Å; Y114-Q150 HydrophobicContact CE2-CB 4.35Å; Y114-Q150 HydrophobicContact CE2-CG 3.67Å; Y114-Q150 HydrophobicContact CG-CG 3.81Å; Y114-L154 WeakPolarHBondContact CD1-O 3.21Å; Y114-A155 VanDerWaalsContact O-CA 3.3Å; Y114-A155 WeakPolarHBondContact O-CA 3.45Å; Y114-Y156 VanDerWaalsContact CB-CE1 3.41Å; Y114-Y156 AromaticContact CD1-CD1 3.77Å; Y114-Y156 HydrophobicContact CD1-CD1 3.77Å; Y114-Y156 AromaticContact CD1-CE1 3.42Å; Y114-Y156 HydrophobicContact CD1-CE1 3.42Å; Y114-Y156 VanDerWaalsContact CD1-CE1 3.42Å; Y114-Y156 HydrophobicContact CE1-CE1 4.44Å; Y114-Y156 HydrophobicContact CG-CD1 4.29Å; Y114-Y156 AromaticContact CG-CE1 3.68Å; Y114-Y156 HydrophobicContact CG-CE1 3.68Å; Y114-Y156 PolarHBondContact N-O 3.02Å; Y114-Y156 VanDerWaalsContact N-O 3.08Å; Y114-Y156 PolarHBondContact O-N 2.97Å
115R95.8Very high95.7Very high104 Ų10443.9 Ų43.939%0.39223%0.225SC..  trans-140138.7170.6-174.6178.2-175.6100.2-8.8109.3A117 E120 P121R115-A117 PolarHBondContact O-N 2.82Å; R115-E120 IonicContact CZ-OE1 2.58Å; R115-E120 IonicContact CZ-OE2 3.43Å; R115-E120 IonicContact NH2-OE1 3.79Å; R115-E120 PolarHBondContact NH2-OE1 2.91Å; R115-E120 IonicContact NH2-OE2 2.68Å; R115-E120 PolarHBondContact NH2-OE2 3.45Å; R115-P121 HydrophobicContact CG-CG 4.15Å
116P94.2Very high95.8Very high4 Ų443.8 Ų43.83%0.02622%0.224CC..  trans-61.6132.6174.1-2032.1000111.4Y114 P121 Q153Y114-P116 HydrophobicContact CE1-CG 4.1Å; P116-P121 HydrophobicContact CG-CB 4.4Å; P116-Q153 HydrophobicContact CG-CB 4.02Å; P116-Q153 WeakPolarHBondContact CG-O 3.34Å
117A90.6Very high96Very high50 Ų5040.3 Ų40.341%0.41320%0.202SC..SBendtrans-80.4-22.9-179.800000113.8L74 R115L74-A117 WeakPolarHBondContact CD1-O 3.31Å; R115-A117 PolarHBondContact O-N 2.82Å
118G88.7Confident96.2Very high35 Ų3537.7 Ų37.736%0.36119%0.192SC..SBendtrans-98.8-2.5-172.800000115.6
119C93Very high96.3Very high8 Ų836.8 Ų36.85%0.05419%0.186CC..SBendtrans-161.1159.3179.954.60000111.8P75 C77 Q153P75-C119 CarbonylContact O-C 3.58Å; P75-C119 WeakPolarHBondContact O-CA 3.32Å; P75-C119 WeakPolarHBondContact O-CB 3.42Å; C77-C119 WeakPolarHBondContact CA-SG 3.34Å; C77-C119 HydrophobicContact CB-CB 3.89Å; C77-C119 WeakPolarHBondContact CB-SG 3.47Å; C77-C119 WeakPolarHBondContact SG-CB 3.47Å; C77-C119 CovalentContact SG-SG 2.04Å; C77-C119 PolarHBondContact SG-SG 3.29Å; C119-Q153 PolarHBondContact SG-NE2 3.08Å
120E94.3Very high96.4Very high73 Ų7331.5 Ų31.534%0.34116%0.162SC..BIsolated β-bridgetrans-76.3119.3173-175.270.7-168.700109.7P75 Y76 C77 R115 R122P75-E120 PolarHBondContact O-N 2.99Å; Y76-E120 CarbonylContact C-O 3.56Å; Y76-E120 VanDerWaalsContact CA-O 3.32Å; Y76-E120 WeakPolarHBondContact CA-O 3.19Å; Y76-E120 HydrophobicContact CD1-CB 3.84Å; Y76-E120 HydrophobicContact CD1-CG 3.69Å; Y76-E120 HydrophobicContact CE1-CB 4.2Å; Y76-E120 HydrophobicContact CE1-CG 3.56Å; Y76-E120 HydrophobicContact CG-CB 4.48Å; C77-E120 PolarHBondContact N-O 3.47Å; C77-E120 PolarHBondContact SG-O 3.15Å; C77-E120 VanDerWaalsContact SG-O 3.37Å; R115-E120 IonicContact CZ-OE1 2.58Å; R115-E120 IonicContact CZ-OE2 3.43Å; R115-E120 IonicContact NH2-OE1 3.79Å; R115-E120 PolarHBondContact NH2-OE1 2.91Å; R115-E120 IonicContact NH2-OE2 2.68Å; R115-E120 PolarHBondContact NH2-OE2 3.45Å; E120-R122 PolarHBondContact O-N 3.24Å
121P95.4Very high96.4Very high10 Ų1027.2 Ų27.27%0.06513%0.134CC..  trans-64.1138.9-179.928.3-35000110.4R115 P116 S123 A155R115-P121 HydrophobicContact CG-CG 4.15Å; P116-P121 HydrophobicContact CG-CB 4.4Å; P121-S123 VanDerWaalsContact C-N 3.31Å; P121-A155 HydrophobicContact CB-CB 3.97Å; P121-A155 HydrophobicContact CG-CB 3.66Å
122R95.4Very high96.3Very high134 Ų13428.8 Ų28.851%0.50614%0.14SC..SBendtrans-79.3-14.7177.1-68.1-176177.6-88.4-6.1113.8Y76 C77 E120Y76-R122 HydrophobicContact CD1-CG 4.3Å; C77-R122 PolarHBondContact O-NE 3.29Å; C77-R122 PolarHBondContact O-NH2 2.98Å; E120-R122 PolarHBondContact O-N 3.24Å
123S95.9Very high96.1Very high15 Ų1532.2 Ų32.211%0.10517%0.168CC..  trans-149.3135.9-177.1-1760000110.5P121 A155P121-S123 VanDerWaalsContact C-N 3.31Å; S123-A155 PolarHBondContact O-N 3.5Å; S123-A155 VanDerWaalsContact O-N 3.08Å
124R98.4Very high95.9Very high72 Ų7231.1 Ų31.127%0.27216%0.164SC..EExtended strand (participates in β ladder)trans-104.1118.5171-65.2166-77.21773.7108.8A155 E186 E187 W188 D189 C190R124-A155 CarbonylContact C-O 3.59Å; R124-A155 VanDerWaalsContact CA-O 3.28Å; R124-A155 WeakPolarHBondContact CA-O 3.21Å; R124-A155 HydrophobicContact CB-CB 4.42Å; R124-A155 HydrophobicContact CG-CB 3.8Å; R124-E186 WeakPolarHBondContact CD-OE1 3.49Å; R124-E187 PolarHBondContact NE-O 3.38Å; R124-E187 PolarHBondContact NH1-O 2.97Å; R124-W188 HydrophobicContact CB-CE3 3.77Å; R124-W188 HydrophobicContact CB-CZ3 4.08Å; R124-D189 WeakPolarHBondContact CB-OD2 3.3Å; R124-D189 IonicContact CZ-OD1 2.68Å; R124-D189 IonicContact CZ-OD2 3.88Å; R124-D189 PolarHBondContact N-OD2 3.38Å; R124-D189 IonicContact NE-OD1 3.13Å; R124-D189 IonicContact NE-OD2 3.2Å; R124-D189 PolarHBondContact NE-OD2 3.12Å; R124-D189 VanDerWaalsContact NE-OD2 3.12Å; R124-D189 IonicContact NH2-OD1 3.24Å; R124-D189 PolarHBondContact NH2-OD1 2.9Å; R124-D189 IonicContact NH2-OD2 3.75Å; R124-D189 PolarHBondContact O-N 3.2Å; R124-C190 PolarHBondContact O-N 3.46Å
125T98.8Very high95.8Very high0 Ų035.5 Ų35.50%019%0.185CC..EExtended strand (participates in β ladder)trans-118.8122.6-176.5-60.40000111.9I127 A155 Y156 G157 W188 C190 F192 Y207T125-I127 HydrophobicContact CG2-CD1 4.11Å; T125-I127 HydrophobicContact CG2-CG1 4.3Å; T125-A155 PolarHBondContact N-O 3.41Å; T125-Y156 WeakPolarHBondContact O-CA 3.41Å; T125-Y156 WeakPolarHBondContact O-CB 3.46Å; T125-G157 PolarHBondContact O-N 3.26Å; T125-G157 VanDerWaalsContact O-N 3.12Å; T125-W188 VanDerWaalsContact C-CZ3 3.44Å; T125-W188 WeakPolarHBondContact O-CZ3 3.35Å; T125-C190 WeakPolarHBondContact CA-O 3.45Å; T125-C190 HydrophobicContact CG2-CB 4.27Å; T125-F192 HydrophobicContact CG2-CB 3.81Å; T125-F192 HydrophobicContact CG2-CD2 3.79Å; T125-F192 HydrophobicContact CG2-CG 4.12Å; T125-Y207 WeakPolarHBondContact CG2-O 3.18Å; T125-Y207 PolarHBondContact OG1-O 2.86Å
126A98.9Very high95.8Very high0 Ų034.3 Ų34.30%018%0.184CC..EExtended strand (participates in β ladder)trans-86.4122.7165.700000109.6I128 Y159 A182 W188 C190 L191 F192A126-I128 HydrophobicContact CB-CD1 3.94Å; A126-I128 WeakPolarHBondContact O-CD1 3.31Å; A126-Y159 HydrophobicContact CB-CD2 4.26Å; A126-Y159 HydrophobicContact CB-CE2 4.08Å; A126-A182 HydrophobicContact CB-CB 4.02Å; A126-W188 HydrophobicContact CB-CB 4.48Å; A126-W188 HydrophobicContact CB-CD2 3.63Å; A126-W188 HydrophobicContact CB-CE3 4.17Å; A126-W188 HydrophobicContact CB-CG 3.77Å; A126-W188 HydrophobicContact CB-CZ2 4.19Å; A126-C190 PolarHBondContact N-O 3.38Å; A126-L191 HydrophobicContact CB-CD2 4.23Å; A126-F192 PolarHBondContact O-N 2.65Å
127I98.9Very high96Very high0 Ų035 Ų350%019%0.186CC..EExtended strand (participates in β ladder)trans-99.1113.8173.3-5988.4000108T125 V129 L145 L149 Y156 G157 I158 Y159 F192 H194 Y207T125-I127 HydrophobicContact CG2-CD1 4.11Å; T125-I127 HydrophobicContact CG2-CG1 4.3Å; I127-V129 HydrophobicContact CG2-CG2 4.05Å; I127-L145 HydrophobicContact CG2-CD1 4.44Å; I127-L149 HydrophobicContact CD1-CD1 3.74Å; I127-L149 HydrophobicContact CG1-CD1 4.19Å; I127-Y156 HydrophobicContact CD1-CD2 4.01Å; I127-Y156 HydrophobicContact CD1-CG 4.16Å; I127-G157 PolarHBondContact N-O 2.91Å; I127-I158 HydrophobicContact CB-CG1 4.36Å; I127-I158 HydrophobicContact CD1-CG1 4.39Å; I127-Y159 PolarHBondContact O-N 3.5Å; I127-F192 CarbonylContact C-O 3.59Å; I127-F192 WeakPolarHBondContact CA-O 3.49Å; I127-F192 HydrophobicContact CG1-CB 4.1Å; I127-H194 HydrophobicContact CG2-CB 4.1Å; I127-Y207 HydrophobicContact CG1-CD1 4.32Å
128I98.9Very high96.3Very high0 Ų032.9 Ų32.90%017%0.168CC..EExtended strand (participates in β ladder)trans-106.6119.8-178-57.6100000109.6A126 I161 L175 V179 L191 F192 L193 H194A126-I128 HydrophobicContact CB-CD1 3.94Å; A126-I128 WeakPolarHBondContact O-CD1 3.31Å; I128-I161 HydrophobicContact CG2-CD1 4.39Å; I128-I161 HydrophobicContact CG2-CG1 3.79Å; I128-L175 HydrophobicContact CB-CD2 4.44Å; I128-L175 HydrophobicContact CG2-CD2 3.95Å; I128-V179 HydrophobicContact CD1-CG2 4.14Å; I128-L191 HydrophobicContact CD1-CB 4.24Å; I128-L191 HydrophobicContact CD1-CD2 4.14Å; I128-F192 PolarHBondContact N-O 2.87Å; I128-L193 HydrophobicContact CB-CD2 3.93Å; I128-L193 HydrophobicContact CD1-CD2 3.71Å; I128-L193 HydrophobicContact CG1-CD2 4.29Å; I128-H194 PolarHBondContact O-N 3.27Å
129V98.9Very high96.8Very high0 Ų034.6 Ų34.60%016%0.164CC..EExtended strand (participates in β ladder)trans-119.8109.4-174.8-174.40000109.5I127 L141 Y159 V160 I161 H194 V196I127-V129 HydrophobicContact CG2-CG2 4.05Å; V129-L141 HydrophobicContact CG1-CD2 3.93Å; V129-L141 HydrophobicContact CG2-CD2 3.89Å; V129-Y159 PolarHBondContact N-O 2.93Å; V129-V160 HydrophobicContact CB-CG2 4.49Å; V129-V160 WeakPolarHBondContact O-CA 3.39Å; V129-I161 PolarHBondContact O-N 3.29Å; V129-H194 WeakPolarHBondContact CA-O 3.45Å; V129-H194 HydrophobicContact CG2-CB 4.4Å; V129-V196 HydrophobicContact CG1-CB 3.82Å; V129-V196 HydrophobicContact CG1-CG2 4.05Å
130P98.6Very high97Very high6 Ų634.4 Ų34.44%0.03916%0.162CC..EExtended strand (participates in β ladder)trans-73.6134.4174.132.2-29000108.9F169 R171 L174 L175 H194P130-F169 HydrophobicContact CB-CZ 4.17Å; P130-R171 HydrophobicContact CB-CG 4.44Å; P130-R171 HydrophobicContact CG-CG 3.87Å; P130-L174 HydrophobicContact CB-CB 3.74Å; P130-L174 HydrophobicContact CB-CD1 4.02Å; P130-L175 HydrophobicContact CB-CD2 4.38Å; P130-L175 HydrophobicContact CB-CG 4.4Å; P130-L175 HydrophobicContact CG-CD2 3.84Å; P130-L175 HydrophobicContact CG-CG 4.04Å; P130-H194 VanDerWaalsContact CD-O 3.26Å; P130-H194 WeakPolarHBondContact CD-O 3.37Å
131H98.1Very high97.2Very high5 Ų531 Ų312%0.02315%0.146CC..EExtended strand (participates in β ladder)trans-146.1140.7-168.5178-83.6000113.3R134 E135 V160 I161 H162 Q163H131-R134 VanDerWaalsContact NE2-C 3.31Å; H131-R134 PolarHBondContact NE2-N 3.2Å; H131-E135 IonicContact CE1-OE1 3.03Å; H131-E135 PolarHBondContact CE1-OE1 3.17Å; H131-V160 HydrophobicContact CB-CG1 3.56Å; H131-I161 PolarHBondContact N-O 3.02Å; H131-H162 AromaticContact CE1-ND1 3.96Å; H131-H162 AromaticContact ND1-ND1 3.38Å; H131-H162 PolarHBondContact ND1-ND1 3Å; H131-H162 WeakPolarHBondContact O-CA 3.44Å; H131-Q163 PolarHBondContact O-N 2.63Å
132R96Very high97.4Very high34 Ų3430.6 Ų30.613%0.12814%0.143CC..SBendtrans-159.6131.8161.1-175.7171.865-174.66.9110.5R134 Q163 G167 F169 G296R132-R134 VanDerWaalsContact O-CG 3.27Å; R132-R134 WeakPolarHBondContact O-CG 3.41Å; R132-R134 PolarHBondContact O-N 3.31Å; R132-Q163 HydrophobicContact CB-CB 4.48Å; R132-Q163 VanDerWaalsContact NH1-NE2 3.14Å; R132-G167 PolarHBondContact NH1-O 3.41Å; R132-G167 PolarHBondContact NH2-O 3.12Å; R132-F169 HydrophobicContact CB-CD2 4.02Å; R132-F169 HydrophobicContact CB-CE2 3.88Å; R132-G296 PolarHBondContact NH2-O 2.91Å; R132-G296 VanDerWaalsContact NH2-O 3.15Å
133A92.6Very high97.5Very high73 Ų7326.4 Ų26.460%0.60313%0.128SC*.SBendtrans51.239.5173.900000114.4E135A133-E135 VanDerWaalsContact C-OE2 3.28Å; A133-E135 WeakPolarHBondContact CA-OE1 3.41Å
134R95Very high97.7Very high21 Ų2125.9 Ų25.98%0.07912%0.124CC..  trans-131.532.4-173.2-75.2-72.4-175.5149.4-2.9112.3H131 R132 H136 H137 L138 V196 H291 D294H131-R134 VanDerWaalsContact NE2-C 3.31Å; H131-R134 PolarHBondContact NE2-N 3.2Å; R132-R134 VanDerWaalsContact O-CG 3.27Å; R132-R134 WeakPolarHBondContact O-CG 3.41Å; R132-R134 PolarHBondContact O-N 3.31Å; R134-H136 PolarHBondContact O-N 2.85Å; R134-H136 VanDerWaalsContact O-N 3.09Å; R134-H137 HydrophobicContact CB-CB 4.36Å; R134-H137 PolarHBondContact NH1-CE1 2.95Å; R134-H137 PolarHBondContact NH1-NE2 3.12Å; R134-H137 WeakPolarHBondContact O-CA 3.31Å; R134-H137 WeakPolarHBondContact O-CB 3.17Å; R134-H137 PolarHBondContact O-N 2.94Å; R134-L138 PolarHBondContact O-N 2.94Å; R134-V196 HydrophobicContact CB-CG1 4.06Å; R134-V196 HydrophobicContact CG-CG1 4.3Å; R134-H291 VanDerWaalsContact CZ-CG 3.49Å; R134-H291 PolarHBondContact NH1-CD2 3.09Å; R134-H291 PolarHBondContact NH2-CE1 3.09Å; R134-H291 PolarHBondContact NH2-ND1 3.47Å; R134-D294 IonicContact CZ-OD1 2.64Å; R134-D294 IonicContact CZ-OD2 3.12Å; R134-D294 VanDerWaalsContact CZ-OD2 3.25Å; R134-D294 IonicContact NE-OD1 3.61Å; R134-D294 PolarHBondContact NE-OD1 2.99Å; R134-D294 IonicContact NE-OD2 3.17Å; R134-D294 PolarHBondContact NE-OD2 2.75Å; R134-D294 VanDerWaalsContact NE-OD2 3.14Å; R134-D294 IonicContact NH2-OD1 2.66Å; R134-D294 PolarHBondContact NH2-OD1 2.81Å; R134-D294 IonicContact NH2-OD2 3.72Å; R134-D294 PolarHBondContact NH2-OD2 2.65Å
135E95.7Very high97.7Very high102 Ų10222.5 Ų22.548%0.47711%0.111SC..Hα-helixtrans-60.3-30.2-171.2-63.668.3-147.700112.6H131 A133 R139H131-E135 IonicContact CE1-OE1 3.03Å; H131-E135 PolarHBondContact CE1-OE1 3.17Å; A133-E135 VanDerWaalsContact C-OE2 3.28Å; A133-E135 WeakPolarHBondContact CA-OE1 3.41Å; E135-R139 WeakPolarHBondContact O-CG 3.44Å; E135-R139 PolarHBondContact O-N 3.17Å; E135-R139 VanDerWaalsContact O-N 3.17Å; E135-R139 PolarHBondContact O-NE 2.75Å
136H95.6Very high97.7Very high79 Ų7922.5 Ų22.537%0.36611%0.111SC..Hα-helixtrans-65.8-45.4172.4177.6103.9000112.5V95 R134 R139 L140V95-H136 WeakPolarHBondContact CG2-CE1 3.44Å; V95-H136 WeakPolarHBondContact CG2-ND1 3.41Å; V95-H136 WeakPolarHBondContact CG2-NE2 3.36Å; R134-H136 PolarHBondContact O-N 2.85Å; R134-H136 VanDerWaalsContact O-N 3.09Å; H136-R139 PolarHBondContact O-N 2.89Å; H136-L140 PolarHBondContact O-N 3.29Å
137H97.4Very high97.6Very high17 Ų1722.5 Ų22.58%0.07911%0.111CC..Hα-helixtrans-68.3-41.9179.8-64.566000110R134 R139 L140 L141 V196 V289R134-H137 HydrophobicContact CB-CB 4.36Å; R134-H137 PolarHBondContact NH1-CE1 2.95Å; R134-H137 PolarHBondContact NH1-NE2 3.12Å; R134-H137 WeakPolarHBondContact O-CA 3.31Å; R134-H137 WeakPolarHBondContact O-CB 3.17Å; R134-H137 PolarHBondContact O-N 2.94Å; H137-R139 VanDerWaalsContact C-N 3.3Å; H137-R139 PolarHBondContact O-N 3.33Å; H137-L140 PolarHBondContact O-N 2.96Å; H137-L140 VanDerWaalsContact O-N 3.16Å; H137-L141 WeakPolarHBondContact O-CB 3.12Å; H137-L141 PolarHBondContact O-N 2.96Å; H137-V196 HydrophobicContact CB-CG1 4.06Å; H137-V196 HydrophobicContact CB-CG2 4.04Å; H137-V289 VanDerWaalsContact CD2-CG1 3.46Å; H137-V289 WeakPolarHBondContact CD2-CG1 3.28Å; H137-V289 WeakPolarHBondContact NE2-CG1 3.45Å
138L98.4Very high97.6Very high7 Ų722.5 Ų22.54%0.03711%0.111CC..Hα-helixtrans-58.8-40.9176.8-179.359.7000112R134 L141 L142 V160 V196 Y335R134-L138 PolarHBondContact O-N 2.94Å; L138-L141 HydrophobicContact CD1-CD2 4.41Å; L138-L141 WeakPolarHBondContact O-CB 3.46Å; L138-L141 PolarHBondContact O-N 3Å; L138-L142 HydrophobicContact CD1-CD1 4.07Å; L138-L142 HydrophobicContact CD1-CD2 4.46Å; L138-L142 HydrophobicContact CD1-CG 4.03Å; L138-L142 HydrophobicContact CG-CD1 3.94Å; L138-L142 HydrophobicContact CG-CG 4.35Å; L138-L142 VanDerWaalsContact O-CG 3.24Å; L138-L142 WeakPolarHBondContact O-CG 3.27Å; L138-L142 PolarHBondContact O-N 3.13Å; L138-V160 HydrophobicContact CD1-CG1 4.41Å; L138-V160 HydrophobicContact CD1-CG2 3.7Å; L138-V160 HydrophobicContact CD2-CG1 4.1Å; L138-V160 HydrophobicContact CD2-CG2 4.34Å; L138-V196 HydrophobicContact CB-CG2 3.98Å; L138-V196 HydrophobicContact CD1-CG2 4.32Å; L138-Y335 HydrophobicContact CD2-CE1 4.25Å; L138-Y335 HydrophobicContact CD2-CE2 4.47Å
139R98.3Very high97.6Very high71 Ų7122.5 Ų22.527%0.26811%0.111SC..Hα-helixtrans-66.1-40.4176.4-73.3-177.3-61.7139.4-10112.8V95 P96 L98 I101 E135 H136 H137 L141 Y143V95-R139 HydrophobicContact CG1-CB 4.02Å; V95-R139 PolarHBondContact O-NH1 3.2Å; P96-R139 WeakPolarHBondContact O-CD 3.38Å; P96-R139 PolarHBondContact O-NH1 2.88Å; L98-R139 HydrophobicContact CD2-CG 3.93Å; L98-R139 HydrophobicContact CG-CG 4.18Å; I101-R139 HydrophobicContact CD1-CB 4.17Å; I101-R139 HydrophobicContact CD1-CG 4.44Å; I101-R139 WeakPolarHBondContact CD1-O 3.1Å; E135-R139 WeakPolarHBondContact O-CG 3.44Å; E135-R139 PolarHBondContact O-N 3.17Å; E135-R139 VanDerWaalsContact O-N 3.17Å; E135-R139 PolarHBondContact O-NE 2.75Å; H136-R139 PolarHBondContact O-N 2.89Å; H137-R139 VanDerWaalsContact C-N 3.3Å; H137-R139 PolarHBondContact O-N 3.33Å; R139-L141 VanDerWaalsContact C-N 3.34Å; R139-Y143 VanDerWaalsContact O-CB 3.29Å; R139-Y143 WeakPolarHBondContact O-CB 3.46Å; R139-Y143 PolarHBondContact O-N 3.33Å
140L98.3Very high97.5Very high4 Ų422.6 Ų22.62%0.02111%0.112CC..Hα-helixtrans-62.4-43.3173.1-67.6172.4000111.1F92 V95 H136 H137 H144 L199 V289F92-L140 HydrophobicContact CB-CD1 4.4Å; F92-L140 HydrophobicContact CD1-CD1 4.26Å; V95-L140 HydrophobicContact CB-CD2 4.39Å; V95-L140 HydrophobicContact CG1-CD2 4.19Å; V95-L140 HydrophobicContact CG1-CG 4.14Å; V95-L140 HydrophobicContact CG2-CD1 4.31Å; V95-L140 HydrophobicContact CG2-CD2 3.88Å; V95-L140 HydrophobicContact CG2-CG 4.17Å; H136-L140 PolarHBondContact O-N 3.29Å; H137-L140 PolarHBondContact O-N 2.96Å; H137-L140 VanDerWaalsContact O-N 3.16Å; L140-H144 VanDerWaalsContact O-CB 3.28Å; L140-H144 WeakPolarHBondContact O-CB 3.28Å; L140-H144 PolarHBondContact O-N 3.49Å; L140-L199 HydrophobicContact CB-CD1 4.27Å; L140-V289 HydrophobicContact CD1-CG1 3.91Å; L140-V289 HydrophobicContact CD1-CG2 4Å
141L98.6Very high97.4Very high1 Ų122.3 Ų22.31%0.00511%0.11CC..Hα-helixtrans-60-51.5177.1-175.174.5000112V129 H137 L138 R139 H144 L145 H194 V196 L199V129-L141 HydrophobicContact CG1-CD2 3.93Å; V129-L141 HydrophobicContact CG2-CD2 3.89Å; H137-L141 WeakPolarHBondContact O-CB 3.12Å; H137-L141 PolarHBondContact O-N 2.96Å; L138-L141 HydrophobicContact CD1-CD2 4.41Å; L138-L141 WeakPolarHBondContact O-CB 3.46Å; L138-L141 PolarHBondContact O-N 3Å; R139-L141 VanDerWaalsContact C-N 3.34Å; L141-H144 PolarHBondContact O-N 3.46Å; L141-L145 HydrophobicContact CD1-CD1 3.58Å; L141-L145 HydrophobicContact CD1-CG 3.8Å; L141-L145 HydrophobicContact CD2-CD1 4.3Å; L141-L145 HydrophobicContact CG-CD1 3.77Å; L141-L145 HydrophobicContact CG-CG 4.1Å; L141-L145 WeakPolarHBondContact O-CB 3.33Å; L141-L145 WeakPolarHBondContact O-CG 3.35Å; L141-L145 PolarHBondContact O-N 2.97Å; L141-H194 WeakPolarHBondContact CD1-CE1 3.27Å; L141-V196 HydrophobicContact CD2-CG2 4.22Å; L141-L199 HydrophobicContact CB-CD2 4.23Å; L141-L199 HydrophobicContact CD1-CD2 3.73Å
142L98.7Very high97.4Very high1 Ų122.6 Ų22.61%0.00511%0.111CC..Hα-helixtrans-63.9-44.1-179.1-66.7168.9000111.3L98 I101 L138 H144 H146 I158 L334 Y335L98-L142 HydrophobicContact CD2-CD1 4.15Å; I101-L142 HydrophobicContact CD1-CB 4.34Å; I101-L142 HydrophobicContact CG2-CB 4.4Å; L138-L142 HydrophobicContact CD1-CD1 4.07Å; L138-L142 HydrophobicContact CD1-CD2 4.46Å; L138-L142 HydrophobicContact CD1-CG 4.03Å; L138-L142 HydrophobicContact CG-CD1 3.94Å; L138-L142 HydrophobicContact CG-CG 4.35Å; L138-L142 VanDerWaalsContact O-CG 3.24Å; L138-L142 WeakPolarHBondContact O-CG 3.27Å; L138-L142 PolarHBondContact O-N 3.13Å; L142-H144 PolarHBondContact O-N 2.83Å; L142-H146 PolarHBondContact O-CD2 2.92Å; L142-H146 PolarHBondContact O-N 2.84Å; L142-I158 HydrophobicContact CD2-CD1 4.02Å; L142-I158 HydrophobicContact CD2-CG2 4.24Å; L142-L334 HydrophobicContact CD1-CB 4.26Å; L142-L334 HydrophobicContact CD1-CD1 4.42Å; L142-L334 HydrophobicContact CD2-CB 4.44Å; L142-Y335 HydrophobicContact CD1-CD1 3.51Å; L142-Y335 HydrophobicContact CD1-CE1 3.67Å; L142-Y335 HydrophobicContact CD2-CD1 4.02Å; L142-Y335 HydrophobicContact CG-CD1 4.41Å
143Y98.3Very high97.4Very high46 Ų4621.8 Ų21.818%0.1811%0.109CC..Hα-helixtrans-56.1-38.7175.5178.3-93.2000112.2V54 Y55 P96 I101 R139 P147V54-Y143 HydrophobicContact CG1-CD1 4.3Å; V54-Y143 HydrophobicContact CG1-CE1 3.86Å; Y55-Y143 HydrophobicContact CD2-CE1 4.25Å; Y55-Y143 HydrophobicContact CD2-CE2 4.32Å; Y55-Y143 AromaticContact CD2-CZ 3.87Å; Y55-Y143 HydrophobicContact CE2-CD1 4.06Å; Y55-Y143 AromaticContact CE2-CD2 3.86Å; Y55-Y143 HydrophobicContact CE2-CD2 3.86Å; Y55-Y143 AromaticContact CE2-CE1 3.66Å; Y55-Y143 HydrophobicContact CE2-CE1 3.66Å; Y55-Y143 AromaticContact CE2-CE2 3.46Å; Y55-Y143 HydrophobicContact CE2-CE2 3.46Å; Y55-Y143 VanDerWaalsContact CE2-CE2 3.46Å; Y55-Y143 HydrophobicContact CE2-CG 4.15Å; Y55-Y143 AromaticContact CE2-CZ 3.34Å; Y55-Y143 WeakPolarHBondContact CE2-O 3.43Å; Y55-Y143 AromaticContact CZ-CE2 3.97Å; Y55-Y143 PolarHBondContact OH-O 2.93Å; P96-Y143 HydrophobicContact CB-CD2 3.84Å; P96-Y143 HydrophobicContact CB-CE2 4.38Å; P96-Y143 HydrophobicContact CB-CG 4.41Å; P96-Y143 HydrophobicContact CG-CD2 3.59Å; P96-Y143 HydrophobicContact CG-CE2 4.41Å; P96-Y143 HydrophobicContact CG-CG 3.65Å; I101-Y143 HydrophobicContact CG1-CD2 4.15Å; R139-Y143 VanDerWaalsContact O-CB 3.29Å; R139-Y143 WeakPolarHBondContact O-CB 3.46Å; R139-Y143 PolarHBondContact O-N 3.33Å; Y143-P147 VanDerWaalsContact O-CD 3.23Å; Y143-P147 WeakPolarHBondContact O-CD 3.27Å; Y143-P147 WeakPolarHBondContact O-CG 3.06Å
144H98.6Very high97.6Very high5 Ų518.9 Ų18.92%0.0238%0.083CC..Hα-helixtrans-83.7-46.3-176.1-164.684.8000112.8V54 V90 L140 L141 L142 P147 F148 L199 P200V54-H144 WeakPolarHBondContact CG2-O 3.33Å; V90-H144 VanDerWaalsContact CG2-CE1 3.47Å; V90-H144 WeakPolarHBondContact CG2-CE1 3.24Å; L140-H144 VanDerWaalsContact O-CB 3.28Å; L140-H144 WeakPolarHBondContact O-CB 3.28Å; L140-H144 PolarHBondContact O-N 3.49Å; L141-H144 PolarHBondContact O-N 3.46Å; L142-H144 PolarHBondContact O-N 2.83Å; H144-P147 WeakPolarHBondContact O-CD 3.41Å; H144-P147 WeakPolarHBondContact O-CG 3.28Å; H144-F148 WeakPolarHBondContact O-CB 3.44Å; H144-F148 PolarHBondContact O-N 2.91Å; H144-L199 HydrophobicContact CB-CD1 4.46Å; H144-L199 HydrophobicContact CB-CD2 4.16Å; H144-P200 PolarHBondContact NE2-O 2.78Å
145L98.6Very high97.7Very high0 Ų018 Ų180%08%0.081CC..Hα-helixtrans-73.8-40.8-172.6-74.6-169000113.2I127 L141 F148 L149 P200 Y207I127-L145 HydrophobicContact CG2-CD1 4.44Å; L141-L145 HydrophobicContact CD1-CD1 3.58Å; L141-L145 HydrophobicContact CD1-CG 3.8Å; L141-L145 HydrophobicContact CD2-CD1 4.3Å; L141-L145 HydrophobicContact CG-CD1 3.77Å; L141-L145 HydrophobicContact CG-CG 4.1Å; L141-L145 WeakPolarHBondContact O-CB 3.33Å; L141-L145 WeakPolarHBondContact O-CG 3.35Å; L141-L145 PolarHBondContact O-N 2.97Å; L145-F148 WeakPolarHBondContact O-CB 3.43Å; L145-F148 PolarHBondContact O-N 2.98Å; L145-L149 HydrophobicContact CB-CD1 4.24Å; L145-L149 WeakPolarHBondContact O-CB 3.48Å; L145-L149 WeakPolarHBondContact O-CG 3.2Å; L145-L149 PolarHBondContact O-N 2.83Å; L145-P200 HydrophobicContact CD2-CG 3.83Å; L145-Y207 HydrophobicContact CD2-CE1 4.1Å
146H98.6Very high97.9Very high0 Ų013.3 Ų13.30%06%0.058CC..Hα-helixtrans-54.2-55.1-177.9-77-59.3000113.6N105 V108 L142 F148 Q150 Y156 I158 L334N105-H146 HydrophobicContact CB-CB 4.45Å; N105-H146 WeakPolarHBondContact OD1-CB 3.43Å; V108-H146 HydrophobicContact CG2-CB 4.4Å; L142-H146 PolarHBondContact O-CD2 2.92Å; L142-H146 PolarHBondContact O-N 2.84Å; H146-F148 VanDerWaalsContact C-N 3.31Å; H146-F148 PolarHBondContact O-N 3.2Å; H146-Q150 VanDerWaalsContact C-NE2 3.25Å; H146-Q150 WeakPolarHBondContact O-CB 3.35Å; H146-Q150 WeakPolarHBondContact O-CG 3.24Å; H146-Q150 PolarHBondContact O-N 2.94Å; H146-Q150 PolarHBondContact O-NE2 3.46Å; H146-Y156 AromaticContact ND1-CE2 3.8Å; H146-Y156 AromaticContact ND1-CZ 3.81Å; H146-Y156 PolarHBondContact ND1-OH 3.15Å; H146-Y156 PolarHBondContact O-OH 2.69Å; H146-I158 VanDerWaalsContact CE1-CD1 3.48Å; H146-I158 WeakPolarHBondContact CE1-CD1 3.4Å; H146-L334 PolarHBondContact CE1-O 2.98Å; H146-L334 PolarHBondContact NE2-O 3.47Å
147P98Very high98Very high0 Ų09.5 Ų9.50%04%0.041CC..Hα-helixtrans-68-33.7179.431.4-41000112.2V54 Y55 L58 Y143 H144 R151V54-P147 HydrophobicContact CG1-CG 4.13Å; V54-P147 HydrophobicContact CG2-CG 4.07Å; V54-P147 WeakPolarHBondContact O-CB 3.26Å; V54-P147 WeakPolarHBondContact O-CG 3.34Å; Y55-P147 HydrophobicContact CD1-CB 3.99Å; Y55-P147 HydrophobicContact CD1-CG 4.32Å; Y55-P147 HydrophobicContact CD2-CB 4.48Å; Y55-P147 HydrophobicContact CD2-CG 4.13Å; Y55-P147 HydrophobicContact CE1-CB 3.94Å; Y55-P147 HydrophobicContact CE1-CG 3.97Å; Y55-P147 HydrophobicContact CE2-CB 4.43Å; Y55-P147 HydrophobicContact CE2-CG 3.76Å; Y55-P147 HydrophobicContact CG-CB 4.23Å; Y55-P147 HydrophobicContact CG-CG 4.37Å; L58-P147 HydrophobicContact CD1-CB 3.25Å; L58-P147 HydrophobicContact CD2-CB 4.09Å; L58-P147 HydrophobicContact CG-CB 4.04Å; Y143-P147 VanDerWaalsContact O-CD 3.23Å; Y143-P147 WeakPolarHBondContact O-CD 3.27Å; Y143-P147 WeakPolarHBondContact O-CG 3.06Å; H144-P147 WeakPolarHBondContact O-CD 3.41Å; H144-P147 WeakPolarHBondContact O-CG 3.28Å; P147-R151 PolarHBondContact O-N 2.93Å; P147-R151 VanDerWaalsContact O-N 3.13Å; P147-R151 PolarHBondContact O-NH1 2.73Å
148F98.3Very high98.1Very high0 Ų08.8 Ų8.80%04%0.038CC..Hα-helixtrans-60.7-47.8176.9-172.9-81.5000112.1V54 V88 H144 L145 H146 Q152 P200 N202 D203 Y207V54-F148 HydrophobicContact CG2-CB 4.41Å; V88-F148 HydrophobicContact CG2-CD2 4.14Å; V88-F148 HydrophobicContact CG2-CE2 4.14Å; H144-F148 WeakPolarHBondContact O-CB 3.44Å; H144-F148 PolarHBondContact O-N 2.91Å; L145-F148 WeakPolarHBondContact O-CB 3.43Å; L145-F148 PolarHBondContact O-N 2.98Å; H146-F148 VanDerWaalsContact C-N 3.31Å; H146-F148 PolarHBondContact O-N 3.2Å; F148-Q152 PolarHBondContact O-N 2.87Å; F148-P200 HydrophobicContact CD1-CG 4.16Å; F148-P200 HydrophobicContact CD2-CG 3.99Å; F148-P200 HydrophobicContact CE1-CB 4.15Å; F148-P200 HydrophobicContact CE1-CG 3.83Å; F148-P200 HydrophobicContact CE2-CB 3.75Å; F148-P200 HydrophobicContact CE2-CG 3.64Å; F148-P200 HydrophobicContact CG-CG 4.23Å; F148-P200 HydrophobicContact CZ-CB 3.49Å; F148-P200 VanDerWaalsContact CZ-CB 3.49Å; F148-P200 HydrophobicContact CZ-CG 3.54Å; F148-N202 VanDerWaalsContact CZ-O 3.32Å; F148-N202 WeakPolarHBondContact CZ-O 3.35Å; F148-D203 HydrophobicContact CD2-CB 3.88Å; F148-D203 HydrophobicContact CE1-CB 4.47Å; F148-D203 VanDerWaalsContact CE2-CA 3.4Å; F148-D203 HydrophobicContact CE2-CB 3.63Å; F148-D203 HydrophobicContact CG-CB 4.42Å; F148-D203 HydrophobicContact CZ-CB 3.96Å; F148-Y207 HydrophobicContact CD1-CD2 4.42Å; F148-Y207 HydrophobicContact CD1-CE2 4.23Å; F148-Y207 AromaticContact CE1-CD2 3.78Å; F148-Y207 HydrophobicContact CE1-CD2 3.78Å; F148-Y207 AromaticContact CE1-CE2 3.52Å; F148-Y207 HydrophobicContact CE1-CE2 3.52Å; F148-Y207 HydrophobicContact CZ-CE2 4.29Å
149L98.3Very high98.1Very high0 Ų08.4 Ų8.40%04%0.036CC..Hα-helixtrans-73.1-37.5179.7-62.8174.3000112.5I127 L145 R151 Q152 Y156 Y207I127-L149 HydrophobicContact CD1-CD1 3.74Å; I127-L149 HydrophobicContact CG1-CD1 4.19Å; L145-L149 HydrophobicContact CB-CD1 4.24Å; L145-L149 WeakPolarHBondContact O-CB 3.48Å; L145-L149 WeakPolarHBondContact O-CG 3.2Å; L145-L149 PolarHBondContact O-N 2.83Å; L149-R151 VanDerWaalsContact C-N 3.3Å; L149-R151 PolarHBondContact O-N 3.05Å; L149-Q152 WeakPolarHBondContact O-CB 3.02Å; L149-Q152 PolarHBondContact O-N 3.43Å; L149-Y156 HydrophobicContact CB-CD1 3.64Å; L149-Y156 HydrophobicContact CB-CE1 3.46Å; L149-Y156 VanDerWaalsContact CB-CE1 3.46Å; L149-Y156 HydrophobicContact CB-CG 4.28Å; L149-Y156 HydrophobicContact CD1-CD1 4.24Å; L149-Y156 HydrophobicContact CD1-CD2 3.91Å; L149-Y156 HydrophobicContact CD1-CE1 4.32Å; L149-Y156 HydrophobicContact CD1-CE2 4.04Å; L149-Y156 HydrophobicContact CD1-CG 4.04Å; L149-Y207 HydrophobicContact CD2-CD1 3.46Å; L149-Y207 VanDerWaalsContact CD2-CD1 3.46Å; L149-Y207 HydrophobicContact CD2-CD2 3.99Å; L149-Y207 HydrophobicContact CD2-CE1 4.12Å; L149-Y207 HydrophobicContact CD2-CG 3.37Å
150Q97.8Very high98.1Very high2 Ų25.1 Ų5.11%0.0092%0.024CC..Hα-helixtrans-59.4-41.1175.4-7517288.100111.7L58 L61 N105 Y114 H146 Q152 Q153 Y156L58-Q150 HydrophobicContact CD2-CB 4.13Å; L61-Q150 HydrophobicContact CD1-CB 4Å; N105-Q150 PolarHBondContact OD1-NE2 3.33Å; Y114-Q150 HydrophobicContact CD1-CG 3.88Å; Y114-Q150 HydrophobicContact CD2-CG 3.71Å; Y114-Q150 HydrophobicContact CE1-CB 4.08Å; Y114-Q150 HydrophobicContact CE1-CG 3.83Å; Y114-Q150 HydrophobicContact CE2-CB 4.35Å; Y114-Q150 HydrophobicContact CE2-CG 3.67Å; Y114-Q150 HydrophobicContact CG-CG 3.81Å; H146-Q150 VanDerWaalsContact C-NE2 3.25Å; H146-Q150 WeakPolarHBondContact O-CB 3.35Å; H146-Q150 WeakPolarHBondContact O-CG 3.24Å; H146-Q150 PolarHBondContact O-N 2.94Å; H146-Q150 PolarHBondContact O-NE2 3.46Å; Q150-Q152 VanDerWaalsContact C-N 3.26Å; Q150-Q152 PolarHBondContact O-N 3.38Å; Q150-Q153 PolarHBondContact O-N 2.85Å; Q150-Q153 VanDerWaalsContact O-N 3.09Å; Q150-Y156 HydrophobicContact CG-CE1 4.19Å
151R97.2Very high98.2Very high0 Ų05 Ų50%02%0.023CC..Hα-helixtrans-63.2-29.5174.1-81.4-164-63.3-71-2.4113.4V54 S56 L58 S81 L83 L84 P147 L149 Q153 D203V54-R151 VanDerWaalsContact O-CZ 3.27Å; V54-R151 PolarHBondContact O-NH1 2.92Å; V54-R151 PolarHBondContact O-NH2 3.06Å; V54-R151 VanDerWaalsContact O-NH2 3.08Å; S56-R151 WeakPolarHBondContact O-CD 3.14Å; S56-R151 PolarHBondContact O-NH1 3.12Å; L58-R151 HydrophobicContact CD2-CG 4.02Å; S81-R151 WeakPolarHBondContact CB-O 3.28Å; S81-R151 PolarHBondContact OG-O 3.46Å; L83-R151 HydrophobicContact CB-CB 4.22Å; L83-R151 HydrophobicContact CB-CG 4.13Å; L83-R151 VanDerWaalsContact O-CD 3.23Å; L83-R151 WeakPolarHBondContact O-CD 3.47Å; L84-R151 HydrophobicContact CD2-CB 4.49Å; P147-R151 PolarHBondContact O-N 2.93Å; P147-R151 VanDerWaalsContact O-N 3.13Å; P147-R151 PolarHBondContact O-NH1 2.73Å; L149-R151 VanDerWaalsContact C-N 3.3Å; L149-R151 PolarHBondContact O-N 3.05Å; R151-Q153 PolarHBondContact O-N 3.35Å; R151-D203 IonicContact CZ-OD2 3.75Å; R151-D203 IonicContact NE-OD2 3.32Å; R151-D203 PolarHBondContact NE-OD2 3.42Å; R151-D203 IonicContact NH2-OD2 3.46Å
152Q97.5Very high98.2Very high12 Ų126.9 Ų6.96%0.0563%0.031CC..THydrogen-bonded Turntrans-74.6-5176.5-66.2-176.70.500113.1L84 F148 L149 Q150 L154 D203 N205 L206L84-Q152 HydrophobicContact CD2-CG 3.82Å; F148-Q152 PolarHBondContact O-N 2.87Å; L149-Q152 WeakPolarHBondContact O-CB 3.02Å; L149-Q152 PolarHBondContact O-N 3.43Å; Q150-Q152 VanDerWaalsContact C-N 3.26Å; Q150-Q152 PolarHBondContact O-N 3.38Å; Q152-L154 HydrophobicContact CB-CD1 3.97Å; Q152-L154 HydrophobicContact CB-CG 3.82Å; Q152-L154 PolarHBondContact O-N 3.34Å; Q152-D203 PolarHBondContact NE2-O 2.85Å; Q152-N205 PolarHBondContact NE2-O 3.44Å; Q152-L206 HydrophobicContact CG-CD2 4.02Å
153Q96.4Very high98.2Very high17 Ų176.9 Ų6.98%0.0793%0.032CC..THydrogen-bonded Turntrans55.137.5-179.7-57.5-175-76.700113.1C77 S81 L83 P116 C119 Q150 R151C77-Q153 HydrophobicContact CB-CB 4.21Å; S81-Q153 PolarHBondContact OG-OE1 3.47Å; L83-Q153 HydrophobicContact CD1-CG 3.99Å; P116-Q153 HydrophobicContact CG-CB 4.02Å; P116-Q153 WeakPolarHBondContact CG-O 3.34Å; C119-Q153 PolarHBondContact SG-NE2 3.08Å; Q150-Q153 PolarHBondContact O-N 2.85Å; Q150-Q153 VanDerWaalsContact O-N 3.09Å; R151-Q153 PolarHBondContact O-N 3.35Å
154L95.6Very high98.1Very high11 Ų115.4 Ų5.46%0.0583%0.029CC..  trans-88.6151.1173.9-54.5175.4000110.2Y114 Q152 Y207 V208Y114-L154 WeakPolarHBondContact CD1-O 3.21Å; Q152-L154 HydrophobicContact CB-CD1 3.97Å; Q152-L154 HydrophobicContact CB-CG 3.82Å; Q152-L154 PolarHBondContact O-N 3.34Å; L154-Y207 WeakPolarHBondContact CD1-O 3.4Å; L154-V208 HydrophobicContact CD1-CG1 4.24Å; L154-V208 HydrophobicContact CD2-CG1 3.45Å; L154-V208 VanDerWaalsContact CD2-CG1 3.45Å
155A97.9Very high97.8Very high4 Ų47.2 Ų7.23%0.0335%0.049CC..EExtended strand (participates in β ladder)trans-80.2132.1153.600000107.8Y114 P121 S123 R124 T125Y114-A155 VanDerWaalsContact O-CA 3.3Å; Y114-A155 WeakPolarHBondContact O-CA 3.45Å; P121-A155 HydrophobicContact CB-CB 3.97Å; P121-A155 HydrophobicContact CG-CB 3.66Å; S123-A155 PolarHBondContact O-N 3.5Å; S123-A155 VanDerWaalsContact O-N 3.08Å; R124-A155 CarbonylContact C-O 3.59Å; R124-A155 VanDerWaalsContact CA-O 3.28Å; R124-A155 WeakPolarHBondContact CA-O 3.21Å; R124-A155 HydrophobicContact CB-CB 4.42Å; R124-A155 HydrophobicContact CG-CB 3.8Å; T125-A155 PolarHBondContact N-O 3.41Å
156Y98.8Very high97.5Very high2 Ų214.1 Ų14.11%0.0089%0.086CC..EExtended strand (participates in β ladder)trans-146.9160-179.774.3-98.7000113.7R113 Y114 T125 I127 H146 L149 Q150 I158R113-Y156 WeakPolarHBondContact CA-O 3.48Å; R113-Y156 WeakPolarHBondContact CD-O 3.5Å; Y114-Y156 VanDerWaalsContact CB-CE1 3.41Å; Y114-Y156 AromaticContact CD1-CD1 3.77Å; Y114-Y156 HydrophobicContact CD1-CD1 3.77Å; Y114-Y156 AromaticContact CD1-CE1 3.42Å; Y114-Y156 HydrophobicContact CD1-CE1 3.42Å; Y114-Y156 VanDerWaalsContact CD1-CE1 3.42Å; Y114-Y156 HydrophobicContact CE1-CE1 4.44Å; Y114-Y156 HydrophobicContact CG-CD1 4.29Å; Y114-Y156 AromaticContact CG-CE1 3.68Å; Y114-Y156 HydrophobicContact CG-CE1 3.68Å; Y114-Y156 PolarHBondContact N-O 3.02Å; Y114-Y156 VanDerWaalsContact N-O 3.08Å; Y114-Y156 PolarHBondContact O-N 2.97Å; T125-Y156 WeakPolarHBondContact O-CA 3.41Å; T125-Y156 WeakPolarHBondContact O-CB 3.46Å; I127-Y156 HydrophobicContact CD1-CD2 4.01Å; I127-Y156 HydrophobicContact CD1-CG 4.16Å; H146-Y156 AromaticContact ND1-CE2 3.8Å; H146-Y156 AromaticContact ND1-CZ 3.81Å; H146-Y156 PolarHBondContact ND1-OH 3.15Å; H146-Y156 PolarHBondContact O-OH 2.69Å; L149-Y156 HydrophobicContact CB-CD1 3.64Å; L149-Y156 HydrophobicContact CB-CE1 3.46Å; L149-Y156 VanDerWaalsContact CB-CE1 3.46Å; L149-Y156 HydrophobicContact CB-CG 4.28Å; L149-Y156 HydrophobicContact CD1-CD1 4.24Å; L149-Y156 HydrophobicContact CD1-CD2 3.91Å; L149-Y156 HydrophobicContact CD1-CE1 4.32Å; L149-Y156 HydrophobicContact CD1-CE2 4.04Å; L149-Y156 HydrophobicContact CD1-CG 4.04Å; Q150-Y156 HydrophobicContact CG-CE1 4.19Å; Y156-I158 HydrophobicContact CD2-CG1 4.05Å; Y156-I158 HydrophobicContact CE2-CD1 4.17Å; Y156-I158 HydrophobicContact CE2-CG1 4.02Å
157G98.8Very high97.2Very high0 Ų015.5 Ų15.50%010%0.1CC..EExtended strand (participates in β ladder)trans-137.4136.3168.900000111T125 I127T125-G157 PolarHBondContact O-N 3.26Å; T125-G157 VanDerWaalsContact O-N 3.12Å; I127-G157 PolarHBondContact N-O 2.91Å
158I98.9Very high97.1Very high1 Ų117 Ų171%0.00511%0.109CC..EExtended strand (participates in β ladder)trans-100.3124.7176-55.4-176.2000109.8G112 I127 L142 H146 Y156 V160 Y335 T336G112-I158 PolarHBondContact O-N 3.31Å; I127-I158 HydrophobicContact CB-CG1 4.36Å; I127-I158 HydrophobicContact CD1-CG1 4.39Å; L142-I158 HydrophobicContact CD2-CD1 4.02Å; L142-I158 HydrophobicContact CD2-CG2 4.24Å; H146-I158 VanDerWaalsContact CE1-CD1 3.48Å; H146-I158 WeakPolarHBondContact CE1-CD1 3.4Å; Y156-I158 HydrophobicContact CD2-CG1 4.05Å; Y156-I158 HydrophobicContact CE2-CD1 4.17Å; Y156-I158 HydrophobicContact CE2-CG1 4.02Å; I158-V160 HydrophobicContact CG2-CG2 4.36Å; I158-Y335 CarbonylContact O-C 3.53Å; I158-Y335 WeakPolarHBondContact O-CA 3.34Å; I158-Y335 WeakPolarHBondContact O-CB 3.18Å; I158-T336 PolarHBondContact O-N 3.17Å
159Y98.9Very high97Very high0 Ų018.2 Ų18.20%012%0.115CC..EExtended strand (participates in β ladder)trans-115.6114.5178.9-66.3-91.3000109.6R113 A126 I127 V129 A182 D185 W188 T336 I338R113-Y159 PolarHBondContact NH1-OH 3.39Å; A126-Y159 HydrophobicContact CB-CD2 4.26Å; A126-Y159 HydrophobicContact CB-CE2 4.08Å; I127-Y159 PolarHBondContact O-N 3.5Å; V129-Y159 PolarHBondContact N-O 2.93Å; Y159-A182 HydrophobicContact CD1-CB 4.36Å; Y159-A182 HydrophobicContact CD2-CB 3.93Å; Y159-A182 HydrophobicContact CE1-CB 4.13Å; Y159-A182 HydrophobicContact CE2-CB 3.67Å; Y159-A182 HydrophobicContact CG-CB 4.25Å; Y159-D185 WeakPolarHBondContact CE1-OD2 3.32Å; Y159-D185 VanDerWaalsContact OH-CB 3.28Å; Y159-D185 WeakPolarHBondContact OH-CB 3.44Å; Y159-D185 PolarHBondContact OH-OD2 3.22Å; Y159-W188 AromaticContact CE2-CZ2 3.76Å; Y159-W188 HydrophobicContact CE2-CZ2 3.76Å; Y159-T336 HydrophobicContact CD1-CG2 4.03Å; Y159-T336 HydrophobicContact CE1-CG2 4.14Å; Y159-I338 HydrophobicContact CD1-CD1 3.86Å
160V98.9Very high97Very high2 Ų218.2 Ų18.21%0.01212%0.115CC..EExtended strand (participates in β ladder)trans-101.6115.7175.7-179.60000108.3V129 H131 L138 I158 Y335 T336 I338V129-V160 HydrophobicContact CB-CG2 4.49Å; V129-V160 WeakPolarHBondContact O-CA 3.39Å; H131-V160 HydrophobicContact CB-CG1 3.56Å; L138-V160 HydrophobicContact CD1-CG1 4.41Å; L138-V160 HydrophobicContact CD1-CG2 3.7Å; L138-V160 HydrophobicContact CD2-CG1 4.1Å; L138-V160 HydrophobicContact CD2-CG2 4.34Å; I158-V160 HydrophobicContact CG2-CG2 4.36Å; V160-Y335 HydrophobicContact CB-CD2 3.54Å; V160-Y335 HydrophobicContact CB-CE2 3.8Å; V160-Y335 HydrophobicContact CB-CG 4.39Å; V160-Y335 HydrophobicContact CG1-CE2 4.35Å; V160-Y335 HydrophobicContact CG2-CD1 4.44Å; V160-Y335 HydrophobicContact CG2-CD2 3.31Å; V160-Y335 HydrophobicContact CG2-CE2 3.83Å; V160-Y335 HydrophobicContact CG2-CG 3.66Å; V160-T336 PolarHBondContact N-O 3.35Å; V160-I338 PolarHBondContact O-N 3.4Å
161I98.9Very high97Very high0 Ų019.5 Ų19.50%012%0.119CC..EExtended strand (participates in β ladder)trans-9997.9-175.2-41.8-55.2000108.6I128 V129 H131 L174 V177 I338I128-I161 HydrophobicContact CG2-CD1 4.39Å; I128-I161 HydrophobicContact CG2-CG1 3.79Å; V129-I161 PolarHBondContact O-N 3.29Å; H131-I161 PolarHBondContact N-O 3.02Å; I161-L174 HydrophobicContact CB-CB 4.44Å; I161-L174 HydrophobicContact CG2-CB 4.21Å; I161-L174 HydrophobicContact CG2-CD2 3.85Å; I161-V177 HydrophobicContact CG2-CB 4.12Å; I161-V177 HydrophobicContact CG2-CG1 3.88Å; I161-I338 CarbonylContact C-O 3.58Å; I161-I338 WeakPolarHBondContact CA-O 3.45Å; I161-I338 HydrophobicContact CD1-CB 3.88Å; I161-I338 HydrophobicContact CD1-CD1 3.84Å; I161-I338 HydrophobicContact CD1-CG1 4.28Å; I161-I338 HydrophobicContact CD1-CG2 4.32Å
162H98.6Very high97.1Very high41 Ų4119.6 Ų19.619%0.1912%0.12CC..EExtended strand (participates in β ladder)trans-80.8119179.8-165.395000111.1H131 A164 I338 T339 A340H131-H162 AromaticContact CE1-ND1 3.96Å; H131-H162 AromaticContact ND1-ND1 3.38Å; H131-H162 PolarHBondContact ND1-ND1 3Å; H131-H162 WeakPolarHBondContact O-CA 3.44Å; H162-A164 PolarHBondContact O-N 2.87Å; H162-I338 PolarHBondContact N-O 3.28Å; H162-T339 WeakPolarHBondContact O-CA 3.41Å; H162-A340 PolarHBondContact O-N 3.37Å
163Q98.4Very high97.2Very high2 Ų219.7 Ų19.71%0.00912%0.12CC..EExtended strand (participates in β ladder)trans-75.3119.3171.8-173.8173.9-32.300110.7H131 R132 T168 F169 L174 I342H131-Q163 PolarHBondContact O-N 2.63Å; R132-Q163 HydrophobicContact CB-CB 4.48Å; R132-Q163 VanDerWaalsContact NH1-NE2 3.14Å; Q163-T168 PolarHBondContact NE2-O 2.64Å; Q163-F169 HydrophobicContact CB-CD2 4.46Å; Q163-F169 HydrophobicContact CB-CE2 4.45Å; Q163-F169 VanDerWaalsContact OE1-CD2 3.28Å; Q163-L174 HydrophobicContact CB-CD1 3.85Å; Q163-L174 HydrophobicContact CB-CD2 3.79Å; Q163-L174 HydrophobicContact CB-CG 4.37Å; Q163-L174 HydrophobicContact CG-CD2 4.33Å; Q163-I342 VanDerWaalsContact CD-CD1 3.43Å; Q163-I342 HydrophobicContact CG-CD1 3.88Å; Q163-I342 HydrophobicContact CG-CG1 4Å
164A97.1Very high97.3Very high15 Ų1518.9 Ų18.912%0.12412%0.116CC..PPolyproline II helixtrans-69.5148.8175.700000112.3H162 L327 T339 A340 D341H162-A164 PolarHBondContact O-N 2.87Å; A164-L327 HydrophobicContact CB-CD1 3.48Å; A164-L327 VanDerWaalsContact CB-CD1 3.48Å; A164-T339 HydrophobicContact CB-CG2 4.06Å; A164-A340 WeakPolarHBondContact CB-O 3.43Å; A164-A340 PolarHBondContact N-O 2.93Å; A164-D341 HydrophobicContact CB-CB 4.34Å
165G93.3Very high97.4Very high43 Ų4318.4 Ų18.444%0.44311%0.114SC..SBendtrans72-172.8176.700000114.8
166N91.2Very high97.5Very high145 Ų14518.2 Ų18.278%0.77511%0.112SC*.SBendtrans-111.717.3-172.7-62-34000113.3
167G92.3Very high97.5Very high29 Ų2918.1 Ų18.130%0.29911%0.112SC..SBendtrans-66.9179.7178.400000112.9R132 F169R132-G167 PolarHBondContact NH1-O 3.41Å; R132-G167 PolarHBondContact NH2-O 3.12Å; G167-F169 PolarHBondContact O-N 2.77Å
168T95.6Very high97.5Very high31 Ų3118.1 Ų18.119%0.1911%0.112CC..  trans-59.8136.7174.4-430000110.5Q163 W256 G257 G296Q163-T168 PolarHBondContact NE2-O 2.64Å; T168-W256 HydrophobicContact CG2-CB 4.02Å; T168-W256 VanDerWaalsContact O-CE3 3.28Å; T168-W256 WeakPolarHBondContact O-CZ3 3.36Å; T168-G257 VanDerWaalsContact CG2-N 3.26Å; T168-G296 CarbonylContact C-O 3.6Å; T168-G296 WeakPolarHBondContact CA-O 3.37Å
169F97Very high97.5Very high26 Ų2618 Ų1811%0.11411%0.111CC..  trans-68.2141.1178.4-169.1-115.8000109.3P130 R132 Q163 G167 R171 L174 G257 G296 N297P130-F169 HydrophobicContact CB-CZ 4.17Å; R132-F169 HydrophobicContact CB-CD2 4.02Å; R132-F169 HydrophobicContact CB-CE2 3.88Å; Q163-F169 HydrophobicContact CB-CD2 4.46Å; Q163-F169 HydrophobicContact CB-CE2 4.45Å; Q163-F169 VanDerWaalsContact OE1-CD2 3.28Å; G167-F169 PolarHBondContact O-N 2.77Å; F169-R171 HydrophobicContact CD1-CB 4.31Å; F169-R171 HydrophobicContact CE1-CB 3.86Å; F169-R171 HydrophobicContact CE1-CG 4.46Å; F169-L174 HydrophobicContact CD2-CD1 4Å; F169-L174 HydrophobicContact CE1-CD1 4.49Å; F169-L174 HydrophobicContact CE2-CD1 3.28Å; F169-L174 HydrophobicContact CZ-CD1 3.59Å; F169-G257 PolarHBondContact O-N 2.87Å; F169-G296 WeakPolarHBondContact CB-O 3.24Å; F169-G296 PolarHBondContact N-O 3.32Å; F169-N297 HydrophobicContact CB-CB 4.13Å
170N98.3Very high97.5Very high0 Ų021.2 Ų21.20%012%0.123CC..  trans-134.792.2175.9-172.7-31.4000110K173 L174 N253 Y255 W256 I342N170-K173 HydrophobicContact CB-CB 4.1Å; N170-K173 WeakPolarHBondContact OD1-CB 3.49Å; N170-K173 PolarHBondContact OD1-N 2.83Å; N170-L174 WeakPolarHBondContact O-CD1 3.48Å; N170-L174 VanDerWaalsContact O-CG 3.24Å; N170-L174 WeakPolarHBondContact O-CG 3.1Å; N170-L174 PolarHBondContact O-N 3.37Å; N170-L174 VanDerWaalsContact O-N 3.12Å; N170-N253 PolarHBondContact ND2-O 3.4Å; N170-Y255 PolarHBondContact ND2-O 3.09Å; N170-Y255 PolarHBondContact OD1-O 3.45Å; N170-W256 HydrophobicContact CB-CD2 4.1Å; N170-W256 HydrophobicContact CB-CE3 3.66Å; N170-W256 HydrophobicContact CB-CH2 4.43Å; N170-W256 HydrophobicContact CB-CZ3 3.85Å; N170-I342 HydrophobicContact CB-CD1 3.7Å
171R98.3Very high97.5Very high29 Ų2921.4 Ų21.411%0.10912%0.124CC..Hα-helixtrans-58.5-52.6-175.6-178.6-177.1166.2-76.8-11.5111.9P130 F169 K173 L174 L175 D195 E261P130-R171 HydrophobicContact CB-CG 4.44Å; P130-R171 HydrophobicContact CG-CG 3.87Å; F169-R171 HydrophobicContact CD1-CB 4.31Å; F169-R171 HydrophobicContact CE1-CB 3.86Å; F169-R171 HydrophobicContact CE1-CG 4.46Å; R171-K173 PolarHBondContact O-N 3.14Å; R171-L174 PolarHBondContact O-N 3.09Å; R171-L175 HydrophobicContact CG-CD1 4.34Å; R171-L175 WeakPolarHBondContact O-CG 3.41Å; R171-L175 PolarHBondContact O-N 3.12Å; R171-D195 IonicContact CZ-OD1 3.7Å; R171-D195 IonicContact NE-OD1 3.88Å; R171-D195 PolarHBondContact NE-OD1 3.37Å; R171-D195 IonicContact NE-OD2 3.82Å; R171-D195 IonicContact NH2-OD1 2.99Å; R171-D195 PolarHBondContact NH2-OD1 2.85Å; R171-E261 WeakPolarHBondContact CD-OE1 3.22Å; R171-E261 IonicContact CZ-OE1 3.92Å; R171-E261 IonicContact NE-OE1 2.87Å; R171-E261 IonicContact NH1-OE1 3.64Å; R171-E261 PolarHBondContact NH1-OE1 3.22Å
172A98.5Very high97.5Very high1 Ų121.4 Ų21.41%0.00812%0.124CC..Hα-helixtrans-64.2-40.9-175.800000112.6L175 N176 F251 P252 E261A172-L175 WeakPolarHBondContact O-CB 3.31Å; A172-L175 PolarHBondContact O-N 3.06Å; A172-N176 PolarHBondContact O-N 3.08Å; A172-F251 HydrophobicContact CB-CB 4.09Å; A172-P252 HydrophobicContact CB-CG 4.24Å; A172-P252 WeakPolarHBondContact CB-O 3.33Å; A172-E261 HydrophobicContact CB-CB 4.21Å; A172-E261 HydrophobicContact CB-CG 3.91Å
173K98.8Very high97.4Very high15 Ų1522.4 Ų22.47%0.06513%0.13CC..Hα-helixtrans-65.2-39.3176-168.9167.7-169.5-174.90112.4N170 R171 L175 N176 V177 N253 W256 L322 T323 I342N170-K173 HydrophobicContact CB-CB 4.1Å; N170-K173 WeakPolarHBondContact OD1-CB 3.49Å; N170-K173 PolarHBondContact OD1-N 2.83Å; R171-K173 PolarHBondContact O-N 3.14Å; K173-L175 VanDerWaalsContact C-N 3.34Å; K173-N176 WeakPolarHBondContact O-CB 3.42Å; K173-N176 PolarHBondContact O-N 2.89Å; K173-V177 WeakPolarHBondContact O-CG2 3.31Å; K173-V177 PolarHBondContact O-N 2.76Å; K173-N253 HydrophobicContact CB-CB 4.39Å; K173-N253 HydrophobicContact CD-CB 3.97Å; K173-N253 HydrophobicContact CG-CB 4.14Å; K173-W256 HydrophobicContact CD-CZ2 4.34Å; K173-L322 HydrophobicContact CG-CD1 3.82Å; K173-T323 WeakPolarHBondContact CE-O 3.47Å; K173-T323 PolarHBondContact NZ-O 3.22Å; K173-T323 VanDerWaalsContact NZ-O 3.12Å; K173-I342 HydrophobicContact CD-CB 4.03Å; K173-I342 HydrophobicContact CD-CD1 4.43Å; K173-I342 HydrophobicContact CG-CB 4.34Å; K173-I342 PolarHBondContact NZ-O 3.13Å
174L98.9Very high97.4Very high0 Ų029.9 Ų29.90%016%0.159CC..Hα-helixtrans-65.5-36.6174.4-68.5164.8000112.2P130 I161 Q163 F169 N170 R171 V177 G178 I342P130-L174 HydrophobicContact CB-CB 3.74Å; P130-L174 HydrophobicContact CB-CD1 4.02Å; I161-L174 HydrophobicContact CB-CB 4.44Å; I161-L174 HydrophobicContact CG2-CB 4.21Å; I161-L174 HydrophobicContact CG2-CD2 3.85Å; Q163-L174 HydrophobicContact CB-CD1 3.85Å; Q163-L174 HydrophobicContact CB-CD2 3.79Å; Q163-L174 HydrophobicContact CB-CG 4.37Å; Q163-L174 HydrophobicContact CG-CD2 4.33Å; F169-L174 HydrophobicContact CD2-CD1 4Å; F169-L174 HydrophobicContact CE1-CD1 4.49Å; F169-L174 HydrophobicContact CE2-CD1 3.28Å; F169-L174 HydrophobicContact CZ-CD1 3.59Å; N170-L174 WeakPolarHBondContact O-CD1 3.48Å; N170-L174 VanDerWaalsContact O-CG 3.24Å; N170-L174 WeakPolarHBondContact O-CG 3.1Å; N170-L174 PolarHBondContact O-N 3.37Å; N170-L174 VanDerWaalsContact O-N 3.12Å; R171-L174 PolarHBondContact O-N 3.09Å; L174-V177 WeakPolarHBondContact O-CB 3.39Å; L174-V177 PolarHBondContact O-N 2.04Å; L174-G178 PolarHBondContact O-N 2.92Å; L174-I342 HydrophobicContact CD2-CD1 4.18Å; L174-I342 HydrophobicContact CD2-CG2 3.93Å; L174-I342 HydrophobicContact CG-CD1 4.16Å
175L98.9Very high97.2Very high0 Ų032 Ų320%017%0.168CC..Hα-helixtrans-62.8-43.6173.6-69.1171.6000111.2I128 P130 R171 A172 K173 V177 G178 V179 L193 F251I128-L175 HydrophobicContact CB-CD2 4.44Å; I128-L175 HydrophobicContact CG2-CD2 3.95Å; P130-L175 HydrophobicContact CB-CD2 4.38Å; P130-L175 HydrophobicContact CB-CG 4.4Å; P130-L175 HydrophobicContact CG-CD2 3.84Å; P130-L175 HydrophobicContact CG-CG 4.04Å; R171-L175 HydrophobicContact CG-CD1 4.34Å; R171-L175 WeakPolarHBondContact O-CG 3.41Å; R171-L175 PolarHBondContact O-N 3.12Å; A172-L175 WeakPolarHBondContact O-CB 3.31Å; A172-L175 PolarHBondContact O-N 3.06Å; K173-L175 VanDerWaalsContact C-N 3.34Å; L175-V177 VanDerWaalsContact C-N 3.34Å; L175-V177 PolarHBondContact O-N 3.44Å; L175-G178 PolarHBondContact O-N 2.79Å; L175-V179 WeakPolarHBondContact O-CG2 3.49Å; L175-V179 PolarHBondContact O-N 3.44Å; L175-L193 HydrophobicContact CD1-CB 4.31Å; L175-L193 HydrophobicContact CD2-CB 4Å; L175-L193 HydrophobicContact CD2-CD2 4.18Å; L175-F251 HydrophobicContact CB-CD2 4Å; L175-F251 HydrophobicContact CB-CE2 4.45Å; L175-F251 HydrophobicContact CD1-CD2 3.82Å; L175-F251 HydrophobicContact CD1-CE2 3.76Å
176N98.9Very high97.3Very high0 Ų032.5 Ų32.50%016%0.159CC..Hα-helixtrans-57.4-44.7172.2-79.6-22.5000112A172 K173 V179 R180 Y245 F251 N253 M319 L322A172-N176 PolarHBondContact O-N 3.08Å; K173-N176 WeakPolarHBondContact O-CB 3.42Å; K173-N176 PolarHBondContact O-N 2.89Å; N176-V179 PolarHBondContact O-N 2.84Å; N176-R180 PolarHBondContact O-N 2.72Å; N176-Y245 WeakPolarHBondContact CA-OH 3.49Å; N176-Y245 PolarHBondContact OD1-OH 3.46Å; N176-F251 PolarHBondContact ND2-O 3.05Å; N176-F251 PolarHBondContact OD1-N 3.4Å; N176-N253 PolarHBondContact ND2-OD1 3.14Å; N176-M319 HydrophobicContact CB-SD 3.72Å; N176-L322 HydrophobicContact CB-CD1 3.82Å; N176-L322 HydrophobicContact CB-CD2 3.72Å; N176-L322 HydrophobicContact CB-CG 4.27Å
177V98.9Very high97.6Very high0 Ų033 Ų330%016%0.156CC..Hα-helixtrans-58.7-48.9175.9171.90000110.2I161 K173 L174 L175 V179 R180 E181 L322 Y324 A340 I342I161-V177 HydrophobicContact CG2-CB 4.12Å; I161-V177 HydrophobicContact CG2-CG1 3.88Å; K173-V177 WeakPolarHBondContact O-CG2 3.31Å; K173-V177 PolarHBondContact O-N 2.76Å; L174-V177 WeakPolarHBondContact O-CB 3.39Å; L174-V177 PolarHBondContact O-N 2.04Å; L175-V177 VanDerWaalsContact C-N 3.34Å; L175-V177 PolarHBondContact O-N 3.44Å; V177-V179 PolarHBondContact O-N 3.37Å; V177-R180 PolarHBondContact O-N 3.26Å; V177-E181 HydrophobicContact CG1-CG 4.38Å; V177-E181 WeakPolarHBondContact O-CG 3.26Å; V177-E181 PolarHBondContact O-N 3.05Å; V177-L322 HydrophobicContact CG2-CD1 4.03Å; V177-L322 HydrophobicContact CG2-CD2 4.35Å; V177-Y324 HydrophobicContact CG1-CD2 3.93Å; V177-Y324 HydrophobicContact CG1-CE2 3.86Å; V177-Y324 HydrophobicContact CG1-CG 4.42Å; V177-Y324 HydrophobicContact CG2-CD1 3.82Å; V177-Y324 HydrophobicContact CG2-CD2 4.04Å; V177-Y324 HydrophobicContact CG2-CE1 4.3Å; V177-Y324 HydrophobicContact CG2-CE2 4.49Å; V177-Y324 HydrophobicContact CG2-CG 3.69Å; V177-A340 HydrophobicContact CG1-CB 3.93Å; V177-I342 HydrophobicContact CG2-CG2 4.14Å
178G98.9Very high97.9Very high0 Ų032 Ų320%014%0.144CC..Hα-helixtrans-63.6-39.2-179.400000113.6L174 L175 E181 A182L174-G178 PolarHBondContact O-N 2.92Å; L175-G178 PolarHBondContact O-N 2.79Å; G178-E181 PolarHBondContact O-N 2.82Å; G178-A182 WeakPolarHBondContact O-CB 3.36Å; G178-A182 PolarHBondContact O-N 2.82Å
179V98.9Very high98Very high0 Ų033.5 Ų33.50%015%0.15CC..Hα-helixtrans-62.1-47.2173.1170.30000110.7I128 L175 N176 V177 E181 A182 L183 L191 L193 Y245 M319I128-V179 HydrophobicContact CD1-CG2 4.14Å; L175-V179 WeakPolarHBondContact O-CG2 3.49Å; L175-V179 PolarHBondContact O-N 3.44Å; N176-V179 PolarHBondContact O-N 2.84Å; V177-V179 PolarHBondContact O-N 3.37Å; V179-E181 VanDerWaalsContact C-N 3.31Å; V179-E181 PolarHBondContact O-N 3.29Å; V179-A182 PolarHBondContact O-N 2.77Å; V179-L183 HydrophobicContact CG1-CD1 3.74Å; V179-L183 HydrophobicContact CG1-CG 4.24Å; V179-L183 WeakPolarHBondContact O-CB 3.47Å; V179-L183 VanDerWaalsContact O-CG 3.26Å; V179-L183 WeakPolarHBondContact O-CG 3.27Å; V179-L183 PolarHBondContact O-N 3.02Å; V179-L191 HydrophobicContact CB-CD1 4.46Å; V179-L191 HydrophobicContact CG1-CD1 3.61Å; V179-L191 HydrophobicContact CG1-CD2 4.3Å; V179-L191 HydrophobicContact CG2-CD1 3.99Å; V179-L191 HydrophobicContact CG2-CD2 4.39Å; V179-L193 HydrophobicContact CG2-CD2 3.75Å; V179-Y245 HydrophobicContact CB-CD1 4.47Å; V179-Y245 HydrophobicContact CB-CE1 3.89Å; V179-Y245 HydrophobicContact CG1-CD1 3.77Å; V179-Y245 HydrophobicContact CG1-CE1 3.65Å; V179-Y245 HydrophobicContact CG2-CD1 4.44Å; V179-Y245 HydrophobicContact CG2-CE1 3.9Å; V179-Y245 HydrophobicContact CG2-CE2 4.17Å; V179-M319 HydrophobicContact CG1-CE 4.33Å
180R98.8Very high98.1Very high67 Ų6732.2 Ų32.225%0.25315%0.145SC..Hα-helixtrans-59.1-41.9179.1-179.7169.9-74.2163.85.5112.4N176 V177 M319 L322 Y324N176-R180 PolarHBondContact O-N 2.72Å; V177-R180 PolarHBondContact O-N 3.26Å; R180-M319 HydrophobicContact CB-CE 4.19Å; R180-M319 PolarHBondContact NH2-O 3.45Å; R180-L322 HydrophobicContact CB-CD2 4.37Å; R180-L322 VanDerWaalsContact CZ-CD2 3.49Å; R180-L322 PolarHBondContact NH1-O 3.03Å; R180-Y324 WeakPolarHBondContact CD-OH 3.49Å
181E98.8Very high98.1Very high6 Ų632.2 Ų32.23%0.02815%0.145CC..Hα-helixtrans-76.8-38.5179.9-64-58.8148.400112.4V177 G178 V179 L183 R184 Y324 I338V177-E181 HydrophobicContact CG1-CG 4.38Å; V177-E181 WeakPolarHBondContact O-CG 3.26Å; V177-E181 PolarHBondContact O-N 3.05Å; G178-E181 PolarHBondContact O-N 2.82Å; V179-E181 VanDerWaalsContact C-N 3.31Å; V179-E181 PolarHBondContact O-N 3.29Å; E181-L183 PolarHBondContact O-N 2.99Å; E181-R184 WeakPolarHBondContact O-CB 3.39Å; E181-R184 PolarHBondContact O-N 2.83Å; E181-R184 IonicContact OE1-CZ 3.55Å; E181-R184 IonicContact OE1-NH1 2.78Å; E181-R184 PolarHBondContact OE1-NH1 2.81Å; E181-R184 IonicContact OE2-CZ 3.73Å; E181-R184 IonicContact OE2-NH1 2.81Å; E181-R184 PolarHBondContact OE2-NH1 2.86Å; E181-Y324 WeakPolarHBondContact OE1-CE2 3.28Å; E181-Y324 PolarHBondContact OE1-OH 2.77Å; E181-I338 HydrophobicContact CB-CD1 3.52Å; E181-I338 HydrophobicContact CG-CD1 4.05Å; E181-I338 HydrophobicContact CG-CG2 4.3Å
182A98.5Very high98.1Very high0 Ų030.9 Ų30.90%014%0.14CC..Hα-helixtrans-63.3-40.6178.100000112.2A126 Y159 G178 V179 R184 D185 W188A126-A182 HydrophobicContact CB-CB 4.02Å; Y159-A182 HydrophobicContact CD1-CB 4.36Å; Y159-A182 HydrophobicContact CD2-CB 3.93Å; Y159-A182 HydrophobicContact CE1-CB 4.13Å; Y159-A182 HydrophobicContact CE2-CB 3.67Å; Y159-A182 HydrophobicContact CG-CB 4.25Å; G178-A182 WeakPolarHBondContact O-CB 3.36Å; G178-A182 PolarHBondContact O-N 2.82Å; V179-A182 PolarHBondContact O-N 2.77Å; A182-R184 PolarHBondContact O-N 2.95Å; A182-R184 VanDerWaalsContact O-N 3.15Å; A182-D185 PolarHBondContact O-N 3.29Å; A182-D185 VanDerWaalsContact O-N 3.09Å; A182-W188 VanDerWaalsContact O-CD1 3.28Å; A182-W188 PolarHBondContact O-NE1 2.81Å
183L98.3Very high98.1Very high61 Ų6130.8 Ų30.832%0.31914%0.139SC..THydrogen-bonded Turntrans-67.1-8.9178.1-68.6176.8000114.1V179 E181 L191 P242V179-L183 HydrophobicContact CG1-CD1 3.74Å; V179-L183 HydrophobicContact CG1-CG 4.24Å; V179-L183 WeakPolarHBondContact O-CB 3.47Å; V179-L183 VanDerWaalsContact O-CG 3.26Å; V179-L183 WeakPolarHBondContact O-CG 3.27Å; V179-L183 PolarHBondContact O-N 3.02Å; E181-L183 PolarHBondContact O-N 2.99Å; L183-L191 HydrophobicContact CD2-CD2 4.17Å; L183-L191 HydrophobicContact CG-CD2 4.49Å; L183-P242 HydrophobicContact CD2-CB 4.08Å; L183-P242 HydrophobicContact CD2-CG 3.94Å
184R96.8Very high98.1Very high159 Ų15930.1 Ų30.160%0.614%0.136SC*.THydrogen-bonded Turntrans-83.7-21.5171.9-67.9175.1174.3166.2-0.1113.2E181 A182E181-R184 WeakPolarHBondContact O-CB 3.39Å; E181-R184 PolarHBondContact O-N 2.83Å; E181-R184 IonicContact OE1-CZ 3.55Å; E181-R184 IonicContact OE1-NH1 2.78Å; E181-R184 PolarHBondContact OE1-NH1 2.81Å; E181-R184 IonicContact OE2-CZ 3.73Å; E181-R184 IonicContact OE2-NH1 2.81Å; E181-R184 PolarHBondContact OE2-NH1 2.86Å; A182-R184 PolarHBondContact O-N 2.95Å; A182-R184 VanDerWaalsContact O-N 3.15Å
185D94.6Very high98.1Very high60 Ų6031.4 Ų31.432%0.32114%0.143SC..THydrogen-bonded Turntrans-91.3-36-172.1-70.8-25.6000112.9Y159 A182 R329Y159-D185 WeakPolarHBondContact CE1-OD2 3.32Å; Y159-D185 VanDerWaalsContact OH-CB 3.28Å; Y159-D185 WeakPolarHBondContact OH-CB 3.44Å; Y159-D185 PolarHBondContact OH-OD2 3.22Å; A182-D185 PolarHBondContact O-N 3.29Å; A182-D185 VanDerWaalsContact O-N 3.09Å; D185-R329 IonicContact OD1-CZ 2.83Å; D185-R329 IonicContact OD1-NH2 3.45Å; D185-R329 PolarHBondContact OD1-NH2 2.66Å; D185-R329 IonicContact OD2-CZ 3.14Å; D185-R329 IonicContact OD2-NH2 3.28Å; D185-R329 PolarHBondContact OD2-NH2 2.66Å
186E94.6Very high98.1Very high53 Ų5332.1 Ų32.125%0.24815%0.147CC..  trans-157.7152.1-172.2-170.7166.1169.700110.7R113 R124 W188R113-E186 IonicContact CZ-OE2 3.25Å; R113-E186 IonicContact NE-OE2 3.36Å; R113-E186 IonicContact NH2-OE2 3.44Å; R113-E186 PolarHBondContact NH2-OE2 3.44Å; R124-E186 WeakPolarHBondContact CD-OE1 3.49Å; E186-W188 VanDerWaalsContact C-N 3.28Å; E186-W188 HydrophobicContact CB-CD2 4.23Å; E186-W188 HydrophobicContact CB-CZ2 4.08Å; E186-W188 PolarHBondContact O-N 3.46Å
187E96.7Very high98Very high155 Ų15532.7 Ų32.772%0.72415%0.151SC*.  trans-74.185.1167.5-65.8-176.615900109.4R124R124-E187 PolarHBondContact NE-O 3.38Å; R124-E187 PolarHBondContact NH1-O 2.97Å
188W98.4Very high97.9Very high9 Ų932.7 Ų32.73%0.03415%0.151CC..  trans-71.8133.9178.3-64.2108.9000111.8R124 T125 A126 Y159 A182 E186 P242R124-W188 HydrophobicContact CB-CE3 3.77Å; R124-W188 HydrophobicContact CB-CZ3 4.08Å; T125-W188 VanDerWaalsContact C-CZ3 3.44Å; T125-W188 WeakPolarHBondContact O-CZ3 3.35Å; A126-W188 HydrophobicContact CB-CB 4.48Å; A126-W188 HydrophobicContact CB-CD2 3.63Å; A126-W188 HydrophobicContact CB-CE3 4.17Å; A126-W188 HydrophobicContact CB-CG 3.77Å; A126-W188 HydrophobicContact CB-CZ2 4.19Å; Y159-W188 AromaticContact CE2-CZ2 3.76Å; Y159-W188 HydrophobicContact CE2-CZ2 3.76Å; A182-W188 VanDerWaalsContact O-CD1 3.28Å; A182-W188 PolarHBondContact O-NE1 2.81Å; E186-W188 VanDerWaalsContact C-N 3.28Å; E186-W188 HydrophobicContact CB-CD2 4.23Å; E186-W188 HydrophobicContact CB-CZ2 4.08Å; E186-W188 PolarHBondContact O-N 3.46Å; W188-P242 WeakPolarHBondContact O-CG 3.39Å
189D98.4Very high97.9Very high62 Ų6232.8 Ų32.833%0.33215%0.151SC..SBendtrans-80.8-24.7172.8-49.8-54.4000110.8R124R124-D189 WeakPolarHBondContact CB-OD2 3.3Å; R124-D189 IonicContact CZ-OD1 2.68Å; R124-D189 IonicContact CZ-OD2 3.88Å; R124-D189 PolarHBondContact N-OD2 3.38Å; R124-D189 IonicContact NE-OD1 3.13Å; R124-D189 IonicContact NE-OD2 3.2Å; R124-D189 PolarHBondContact NE-OD2 3.12Å; R124-D189 VanDerWaalsContact NE-OD2 3.12Å; R124-D189 IonicContact NH2-OD1 3.24Å; R124-D189 PolarHBondContact NH2-OD1 2.9Å; R124-D189 IonicContact NH2-OD2 3.75Å; R124-D189 PolarHBondContact O-N 3.2Å
190C98.8Very high97.9Very high0 Ų032.8 Ų32.80%015%0.151CC..EExtended strand (participates in β ladder)trans-144.6136.7-175.7-171.20000113.6R124 T125 A126 C209R124-C190 PolarHBondContact O-N 3.46Å; T125-C190 WeakPolarHBondContact CA-O 3.45Å; T125-C190 HydrophobicContact CG2-CB 4.27Å; A126-C190 PolarHBondContact N-O 3.38Å; C190-C209 WeakPolarHBondContact CA-SG 3.38Å; C190-C209 HydrophobicContact CB-CB 3.76Å; C190-C209 WeakPolarHBondContact CB-SG 3.48Å; C190-C209 VanDerWaalsContact SG-CA 3.52Å; C190-C209 WeakPolarHBondContact SG-CB 3.48Å; C190-C209 PolarHBondContact SG-N 3.31Å; C190-C209 CovalentContact SG-SG 2.04Å; C190-C209 PolarHBondContact SG-SG 3.16Å
191L98.9Very high97.9Very high0 Ų030.4 Ų30.40%014%0.143CC..EExtended strand (participates in β ladder)trans-105.2118.2170.7-55.1168.5000108.6A126 I128 V179 L183 A239 L240 P242 Y245A126-L191 HydrophobicContact CB-CD2 4.23Å; I128-L191 HydrophobicContact CD1-CB 4.24Å; I128-L191 HydrophobicContact CD1-CD2 4.14Å; V179-L191 HydrophobicContact CB-CD1 4.46Å; V179-L191 HydrophobicContact CG1-CD1 3.61Å; V179-L191 HydrophobicContact CG1-CD2 4.3Å; V179-L191 HydrophobicContact CG2-CD1 3.99Å; V179-L191 HydrophobicContact CG2-CD2 4.39Å; L183-L191 HydrophobicContact CD2-CD2 4.17Å; L183-L191 HydrophobicContact CG-CD2 4.49Å; L191-A239 CarbonylContact O-C 3.49Å; L191-A239 VanDerWaalsContact O-CA 3.24Å; L191-A239 WeakPolarHBondContact O-CA 3.17Å; L191-L240 WeakPolarHBondContact CA-O 3.42Å; L191-L240 VanDerWaalsContact CB-O 3.31Å; L191-L240 WeakPolarHBondContact CB-O 3.44Å; L191-L240 PolarHBondContact N-O 3.19Å; L191-L240 PolarHBondContact O-N 2.88Å; L191-P242 HydrophobicContact CD1-CB 4.44Å; L191-P242 HydrophobicContact CD1-CG 4.39Å; L191-P242 HydrophobicContact CG-CG 4.28Å; L191-Y245 HydrophobicContact CD1-CD1 4.4Å; L191-Y245 HydrophobicContact CD1-CD2 4.46Å; L191-Y245 HydrophobicContact CD1-CG 4Å
192F98.6Very high97.8Very high0 Ų030.1 Ų30.10%014%0.141CC..EExtended strand (participates in β ladder)trans-106.4111.1178.1-122-96.5000109.7T125 A126 I127 I128 Y207 V217 V237 A239T125-F192 HydrophobicContact CG2-CB 3.81Å; T125-F192 HydrophobicContact CG2-CD2 3.79Å; T125-F192 HydrophobicContact CG2-CG 4.12Å; A126-F192 PolarHBondContact O-N 2.65Å; I127-F192 CarbonylContact C-O 3.59Å; I127-F192 WeakPolarHBondContact CA-O 3.49Å; I127-F192 HydrophobicContact CG1-CB 4.1Å; I128-F192 PolarHBondContact N-O 2.87Å; F192-Y207 AromaticContact CD1-CD1 3.3Å; F192-Y207 HydrophobicContact CD1-CD1 3.3Å; F192-Y207 AromaticContact CD1-CE1 3.52Å; F192-Y207 HydrophobicContact CD1-CE1 3.52Å; F192-Y207 AromaticContact CD1-CG 3.99Å; F192-Y207 HydrophobicContact CD1-CG 3.99Å; F192-Y207 HydrophobicContact CD2-CD1 4.29Å; F192-Y207 HydrophobicContact CD2-CG 4.46Å; F192-Y207 AromaticContact CE1-CD1 3.33Å; F192-Y207 HydrophobicContact CE1-CD1 3.33Å; F192-Y207 AromaticContact CE1-CD2 3.97Å; F192-Y207 HydrophobicContact CE1-CD2 3.97Å; F192-Y207 AromaticContact CE1-CE1 3.52Å; F192-Y207 HydrophobicContact CE1-CE1 3.52Å; F192-Y207 HydrophobicContact CE1-CE2 4.08Å; F192-Y207 AromaticContact CE1-CG 3.59Å; F192-Y207 HydrophobicContact CE1-CG 3.59Å; F192-Y207 AromaticContact CE1-CZ 3.88Å; F192-Y207 HydrophobicContact CE2-CD1 4.34Å; F192-Y207 HydrophobicContact CE2-CG 4.14Å; F192-Y207 AromaticContact CG-CD1 3.8Å; F192-Y207 HydrophobicContact CG-CD1 3.8Å; F192-Y207 HydrophobicContact CG-CE1 4.41Å; F192-Y207 HydrophobicContact CG-CG 4.4Å; F192-Y207 VanDerWaalsContact CZ-CA 3.47Å; F192-Y207 AromaticContact CZ-CD1 3.9Å; F192-Y207 HydrophobicContact CZ-CD1 3.9Å; F192-Y207 HydrophobicContact CZ-CD2 4.05Å; F192-Y207 HydrophobicContact CZ-CE1 4.45Å; F192-Y207 AromaticContact CZ-CG 3.69Å; F192-Y207 HydrophobicContact CZ-CG 3.69Å; F192-V217 HydrophobicContact CE1-CG2 3.76Å; F192-V217 HydrophobicContact CZ-CG1 3.96Å; F192-V217 HydrophobicContact CZ-CG2 4.03Å; F192-V237 HydrophobicContact CD1-CG1 3.84Å; F192-V237 HydrophobicContact CE1-CG1 3.75Å; F192-A239 HydrophobicContact CD2-CB 3.41Å; F192-A239 VanDerWaalsContact CD2-CB 3.41Å; F192-A239 HydrophobicContact CE2-CB 3.2Å; F192-A239 HydrophobicContact CG-CB 4.14Å; F192-A239 HydrophobicContact CZ-CB 3.83Å
193L98.8Very high97.8Very high0 Ų030.1 Ų30.10%014%0.141CC..EExtended strand (participates in β ladder)trans-103.8113.1-172.4-51.6178.5000108.4I128 L175 V179 V237 S238 L240 Y245 F251I128-L193 HydrophobicContact CB-CD2 3.93Å; I128-L193 HydrophobicContact CD1-CD2 3.71Å; I128-L193 HydrophobicContact CG1-CD2 4.29Å; L175-L193 HydrophobicContact CD1-CB 4.31Å; L175-L193 HydrophobicContact CD2-CB 4Å; L175-L193 HydrophobicContact CD2-CD2 4.18Å; V179-L193 HydrophobicContact CG2-CD2 3.75Å; L193-V237 WeakPolarHBondContact O-CA 3.45Å; L193-S238 PolarHBondContact N-O 2.04Å; L193-S238 PolarHBondContact O-N 2.83Å; L193-L240 HydrophobicContact CD1-CD1 3.87Å; L193-Y245 HydrophobicContact CD1-CD2 4.07Å; L193-Y245 HydrophobicContact CD1-CE2 3.53Å; L193-F251 HydrophobicContact CB-CE2 4.4Å; L193-F251 HydrophobicContact CD1-CD2 4.13Å; L193-F251 HydrophobicContact CD1-CE1 4.03Å; L193-F251 HydrophobicContact CD1-CE2 3.21Å; L193-F251 HydrophobicContact CD1-CZ 3.17Å; L193-F251 HydrophobicContact CG-CE2 4.39Å
194H98.8Very high97.7Very high0 Ų028.9 Ų28.90%013%0.134CC..EExtended strand (participates in β ladder)trans-136123-153.4-167.9-59.9000112.6I127 I128 V129 P130 L141 L198 Y207 V237I127-H194 HydrophobicContact CG2-CB 4.1Å; I128-H194 PolarHBondContact O-N 3.27Å; V129-H194 WeakPolarHBondContact CA-O 3.45Å; V129-H194 HydrophobicContact CG2-CB 4.4Å; P130-H194 VanDerWaalsContact CD-O 3.26Å; P130-H194 WeakPolarHBondContact CD-O 3.37Å; L141-H194 WeakPolarHBondContact CD1-CE1 3.27Å; H194-L198 PolarHBondContact CE1-O 2.83Å; H194-Y207 AromaticContact CD2-CE1 3.81Å; H194-Y207 PolarHBondContact NE2-OH 3.05Å; H194-Y207 VanDerWaalsContact NE2-OH 3.12Å; H194-V237 HydrophobicContact CB-CG1 4.2Å; H194-V237 VanDerWaalsContact CD2-CG1 3.4Å; H194-V237 WeakPolarHBondContact CD2-CG1 3.32Å
195D98.2Very high97.8Very high28 Ų2821.3 Ų21.315%0.1511%0.105CC..  trans-68.9139.3173.4-70.2-2.2000111.8R171 D197 L198 G236R171-D195 IonicContact CZ-OD1 3.7Å; R171-D195 IonicContact NE-OD1 3.88Å; R171-D195 PolarHBondContact NE-OD1 3.37Å; R171-D195 IonicContact NE-OD2 3.82Å; R171-D195 IonicContact NH2-OD1 2.99Å; R171-D195 PolarHBondContact NH2-OD1 2.85Å; D195-D197 WeakPolarHBondContact CB-OD1 3.34Å; D195-D197 PolarHBondContact O-N 2.89Å; D195-D197 VanDerWaalsContact O-N 3.07Å; D195-L198 HydrophobicContact CB-CD1 4.06Å; D195-L198 HydrophobicContact CB-CG 4.24Å; D195-L198 PolarHBondContact O-N 2.81Å; D195-G236 PolarHBondContact N-O 3.44Å; D195-G236 WeakPolarHBondContact OD2-CA 3.37Å
196V98.1Very high97.9Very high14 Ų1421 Ų219%0.08510%0.103CC..THydrogen-bonded Turntrans-64.3-18-174.572.50000113.9V129 R134 H137 L138 L141V129-V196 HydrophobicContact CG1-CB 3.82Å; V129-V196 HydrophobicContact CG1-CG2 4.05Å; R134-V196 HydrophobicContact CB-CG1 4.06Å; R134-V196 HydrophobicContact CG-CG1 4.3Å; H137-V196 HydrophobicContact CB-CG1 4.06Å; H137-V196 HydrophobicContact CB-CG2 4.04Å; L138-V196 HydrophobicContact CB-CG2 3.98Å; L138-V196 HydrophobicContact CD1-CG2 4.32Å; L141-V196 HydrophobicContact CD2-CG2 4.22Å
197D97Very high98.1Very high13 Ų1318.4 Ų18.47%0.079%0.091CC..THydrogen-bonded Turntrans-105.73.1-171.366.6-10.7000114.2D195 M288 V289 H291D195-D197 WeakPolarHBondContact CB-OD1 3.34Å; D195-D197 PolarHBondContact O-N 2.89Å; D195-D197 VanDerWaalsContact O-N 3.07Å; D197-M288 CarbonylContact O-C 3.5Å; D197-M288 VanDerWaalsContact O-CA 3.29Å; D197-M288 WeakPolarHBondContact O-CA 3.32Å; D197-M288 WeakPolarHBondContact OD2-CE 3.48Å; D197-V289 HydrophobicContact CB-CB 4.24Å; D197-V289 PolarHBondContact O-N 3.29Å; D197-H291 IonicContact OD2-CD2 2.86Å; D197-H291 PolarHBondContact OD2-CD2 2.56Å; D197-H291 IonicContact OD2-NE2 2.81Å; D197-H291 PolarHBondContact OD2-NE2 3.34Å
198L98.3Very high98.1Very high0 Ų012.5 Ų12.50%07%0.066CC..EExtended strand (participates in β ladder)trans-105.1115.5-178.6-72178.4000111.7H194 D195 A218 M221 V237 Y286 M288H194-L198 PolarHBondContact CE1-O 2.83Å; D195-L198 HydrophobicContact CB-CD1 4.06Å; D195-L198 HydrophobicContact CB-CG 4.24Å; D195-L198 PolarHBondContact O-N 2.81Å; L198-A218 HydrophobicContact CD1-CB 4.42Å; L198-M221 HydrophobicContact CD1-SD 4.01Å; L198-M221 HydrophobicContact CD2-CG 4.2Å; L198-M221 HydrophobicContact CD2-SD 3.73Å; L198-V237 HydrophobicContact CB-CG2 3.97Å; L198-V237 HydrophobicContact CD1-CG2 3.83Å; L198-Y286 HydrophobicContact CB-CD1 3.86Å; L198-Y286 HydrophobicContact CB-CE1 4.48Å; L198-M288 HydrophobicContact CD2-CB 3.81Å; L198-M288 HydrophobicContact CD2-CG 4.07Å
199L98.5Very high98.1Very high2 Ų213 Ų131%0.017%0.07CC..EExtended strand (participates in β ladder)trans-107.4123.4-179.5-53.4-176.5000110.4V90 F92 L140 L141 H144 Y286 K287 V289V90-L199 HydrophobicContact CG1-CB 3.9Å; V90-L199 HydrophobicContact CG1-CD1 3.53Å; V90-L199 HydrophobicContact CG1-CG 4.28Å; V90-L199 HydrophobicContact CG2-CB 4.05Å; F92-L199 HydrophobicContact CD1-CD1 4.41Å; F92-L199 HydrophobicContact CE1-CD1 4.09Å; L140-L199 HydrophobicContact CB-CD1 4.27Å; L141-L199 HydrophobicContact CB-CD2 4.23Å; L141-L199 HydrophobicContact CD1-CD2 3.73Å; H144-L199 HydrophobicContact CB-CD1 4.46Å; H144-L199 HydrophobicContact CB-CD2 4.16Å; L199-Y286 VanDerWaalsContact C-CD1 3.5Å; L199-Y286 CarbonylContact O-C 3.59Å; L199-Y286 WeakPolarHBondContact O-CA 3.3Å; L199-K287 PolarHBondContact N-O 3.5Å; L199-K287 PolarHBondContact O-N 3.42Å; L199-V289 HydrophobicContact CD1-CG2 4.11Å; L199-V289 HydrophobicContact CG-CG2 4.31Å
200P98.3Very high98.1Very high0 Ų010.9 Ų10.90%06%0.059CC..EExtended strand (participates in β ladder)trans-69.1136.1-179.228.4-37.1000112H144 L145 F148 Y207 Y286H144-P200 PolarHBondContact NE2-O 2.78Å; L145-P200 HydrophobicContact CD2-CG 3.83Å; F148-P200 HydrophobicContact CD1-CG 4.16Å; F148-P200 HydrophobicContact CD2-CG 3.99Å; F148-P200 HydrophobicContact CE1-CB 4.15Å; F148-P200 HydrophobicContact CE1-CG 3.83Å; F148-P200 HydrophobicContact CE2-CB 3.75Å; F148-P200 HydrophobicContact CE2-CG 3.64Å; F148-P200 HydrophobicContact CG-CG 4.23Å; F148-P200 HydrophobicContact CZ-CB 3.49Å; F148-P200 VanDerWaalsContact CZ-CB 3.49Å; F148-P200 HydrophobicContact CZ-CG 3.54Å; P200-Y207 HydrophobicContact CB-CE2 4.41Å; P200-Y207 HydrophobicContact CG-CE2 4.24Å; P200-Y207 WeakPolarHBondContact CG-OH 3.4Å; P200-Y286 HydrophobicContact CB-CD1 4.14Å; P200-Y286 HydrophobicContact CB-CE1 3.66Å; P200-Y286 HydrophobicContact CB-CE2 4.28Å; P200-Y286 HydrophobicContact CG-CE1 4.22Å
201E98.2Very high97.9Very high16 Ų1616.2 Ų16.28%0.0759%0.093CC..SBendtrans-100.10.1-175.5-70-178.4114.500113.9Y48 P87 V88 V90 Y226 H285 K287Y48-E201 HydrophobicContact CE1-CB 4.2Å; P87-E201 CarbonylContact C-O 3.51Å; P87-E201 VanDerWaalsContact CA-O 3.24Å; P87-E201 WeakPolarHBondContact CA-O 3.38Å; V88-E201 PolarHBondContact N-O 2.69Å; V90-E201 HydrophobicContact CG2-CG 3.7Å; E201-Y226 PolarHBondContact OE1-OH 3.24Å; E201-Y226 WeakPolarHBondContact OE2-CE1 3.37Å; E201-Y226 PolarHBondContact OE2-OH 3.13Å; E201-H285 HydrophobicContact CB-CB 3.83Å; E201-H285 PolarHBondContact N-O 3.42Å; E201-K287 HydrophobicContact CG-CB 4.11Å
202N98.1Very high97.7Very high0 Ų026.2 Ų26.20%013%0.131CC..BIsolated β-bridgetrans-148.6121.2178.1-173.4-24.8000111.4F46 Y48 G86 F148 H204 N205F46-N202 WeakPolarHBondContact CD2-ND2 3.44Å; F46-N202 WeakPolarHBondContact CG-ND2 3.24Å; Y48-N202 HydrophobicContact CE1-CB 4.19Å; Y48-N202 VanDerWaalsContact OH-CB 3.32Å; Y48-N202 WeakPolarHBondContact OH-CB 3.27Å; Y48-N202 PolarHBondContact OH-ND2 3.35Å; Y48-N202 VanDerWaalsContact OH-ND2 3.1Å; G86-N202 VanDerWaalsContact C-OD1 3.32Å; G86-N202 WeakPolarHBondContact CA-OD1 3.47Å; G86-N202 WeakPolarHBondContact O-CA 3.29Å; G86-N202 PolarHBondContact O-OD1 2.9Å; F148-N202 VanDerWaalsContact CZ-O 3.32Å; F148-N202 WeakPolarHBondContact CZ-O 3.35Å; N202-H204 PolarHBondContact O-N 3.03Å; N202-H204 WeakPolarHBondContact OD1-CB 3.42Å; N202-H204 PolarHBondContact OD1-N 2.79Å; N202-H204 PolarHBondContact OD1-ND1 2.96Å; N202-N205 VanDerWaalsContact O-CB 3.23Å; N202-N205 WeakPolarHBondContact O-CB 3.29Å; N202-N205 PolarHBondContact O-N 2.84Å
203D97.6Very high97.6Very high0 Ų026.2 Ų26.20%013%0.132CC..THydrogen-bonded Turntrans-75.3-2.5-175.269.34.1000115.2L84 V85 G86 F148 R151 Q152 N205L84-D203 WeakPolarHBondContact CA-OD2 3.46Å; L84-D203 HydrophobicContact CD2-CB 4.28Å; L84-D203 WeakPolarHBondContact CD2-O 3.43Å; V85-D203 WeakPolarHBondContact CG2-OD2 3.35Å; V85-D203 VanDerWaalsContact N-CG 3.35Å; V85-D203 PolarHBondContact N-OD1 3.08Å; V85-D203 PolarHBondContact N-OD2 3.1Å; G86-D203 WeakPolarHBondContact CA-OD1 3.36Å; G86-D203 PolarHBondContact N-OD1 2.75Å; G86-D203 PolarHBondContact O-N 3.11Å; G86-D203 VanDerWaalsContact O-N 3.13Å; F148-D203 HydrophobicContact CD2-CB 3.88Å; F148-D203 HydrophobicContact CE1-CB 4.47Å; F148-D203 VanDerWaalsContact CE2-CA 3.4Å; F148-D203 HydrophobicContact CE2-CB 3.63Å; F148-D203 HydrophobicContact CG-CB 4.42Å; F148-D203 HydrophobicContact CZ-CB 3.96Å; R151-D203 IonicContact CZ-OD2 3.75Å; R151-D203 IonicContact NE-OD2 3.32Å; R151-D203 PolarHBondContact NE-OD2 3.42Å; R151-D203 IonicContact NH2-OD2 3.46Å; Q152-D203 PolarHBondContact NE2-O 2.85Å; D203-N205 PolarHBondContact O-N 2.99Å
204H97.1Very high97.6Very high35 Ų3526.2 Ų26.216%0.16213%0.132CC..THydrogen-bonded Turntrans-73.9-11.3163.4-66.362.6000112.4F46 R80 G86 N202 L206 V283F46-H204 HydrophobicContact CZ-CB 4.12Å; F46-H204 AromaticContact CZ-CD2 3.82Å; F46-H204 AromaticContact CZ-CG 3.73Å; R80-H204 PolarHBondContact NH2-CD2 3.05Å; R80-H204 VanDerWaalsContact NH2-CD2 3.28Å; R80-H204 PolarHBondContact NH2-NE2 2.79Å; G86-H204 VanDerWaalsContact CA-ND1 3.34Å; G86-H204 WeakPolarHBondContact CA-ND1 3.24Å; G86-H204 PolarHBondContact N-CE1 3.5Å; G86-H204 PolarHBondContact N-ND1 2.98Å; N202-H204 PolarHBondContact O-N 3.03Å; N202-H204 WeakPolarHBondContact OD1-CB 3.42Å; N202-H204 PolarHBondContact OD1-N 2.79Å; N202-H204 PolarHBondContact OD1-ND1 2.96Å; H204-L206 VanDerWaalsContact C-N 3.28Å; H204-L206 PolarHBondContact O-N 3.06Å; H204-V283 VanDerWaalsContact C-CG1 3.45Å; H204-V283 HydrophobicContact CB-CG1 4.08Å; H204-V283 HydrophobicContact CB-CG2 4.48Å
205N97.6Very high97.5Very high0 Ų028.2 Ų28.20%014%0.139CC..SBendtrans-77.982.9168-161.86.8000109.5Q152 N202 D203 Y207 V217 V283 G284 Y286Q152-N205 PolarHBondContact NE2-O 3.44Å; N202-N205 VanDerWaalsContact O-CB 3.23Å; N202-N205 WeakPolarHBondContact O-CB 3.29Å; N202-N205 PolarHBondContact O-N 2.84Å; D203-N205 PolarHBondContact O-N 2.99Å; N205-Y207 WeakPolarHBondContact O-CD2 3.41Å; N205-V217 PolarHBondContact ND2-O 2.93Å; N205-V217 VanDerWaalsContact ND2-O 3.14Å; N205-V283 HydrophobicContact CB-CG1 3.74Å; N205-V283 VanDerWaalsContact N-CG1 3.33Å; N205-G284 WeakPolarHBondContact ND2-CA 3.41Å; N205-Y286 VanDerWaalsContact ND2-CE2 3.25Å; N205-Y286 WeakPolarHBondContact ND2-CE2 3.43Å
206L97.6Very high97.5Very high53 Ų5326.9 Ų26.928%0.27713%0.132SC..  trans-64.7136.2-173.7-58.1-178.3000112.3L84 Q152 H204 V208L84-L206 HydrophobicContact CD1-CD2 4.13Å; Q152-L206 HydrophobicContact CG-CD2 4.02Å; H204-L206 VanDerWaalsContact C-N 3.28Å; H204-L206 PolarHBondContact O-N 3.06Å; L206-V208 HydrophobicContact CB-CG2 3.83Å; L206-V208 PolarHBondContact O-N 3.09Å
207Y98.3Very high97.5Very high0 Ų026.2 Ų26.20%013%0.128CC..SBendtrans-85.254.9176.7-83.7-127.9000111.2T125 I127 L145 F148 L149 L154 F192 H194 P200 N205 Y286T125-Y207 WeakPolarHBondContact CG2-O 3.18Å; T125-Y207 PolarHBondContact OG1-O 2.86Å; I127-Y207 HydrophobicContact CG1-CD1 4.32Å; L145-Y207 HydrophobicContact CD2-CE1 4.1Å; F148-Y207 HydrophobicContact CD1-CD2 4.42Å; F148-Y207 HydrophobicContact CD1-CE2 4.23Å; F148-Y207 AromaticContact CE1-CD2 3.78Å; F148-Y207 HydrophobicContact CE1-CD2 3.78Å; F148-Y207 AromaticContact CE1-CE2 3.52Å; F148-Y207 HydrophobicContact CE1-CE2 3.52Å; F148-Y207 HydrophobicContact CZ-CE2 4.29Å; L149-Y207 HydrophobicContact CD2-CD1 3.46Å; L149-Y207 VanDerWaalsContact CD2-CD1 3.46Å; L149-Y207 HydrophobicContact CD2-CD2 3.99Å; L149-Y207 HydrophobicContact CD2-CE1 4.12Å; L149-Y207 HydrophobicContact CD2-CG 3.37Å; L154-Y207 WeakPolarHBondContact CD1-O 3.4Å; F192-Y207 AromaticContact CD1-CD1 3.3Å; F192-Y207 HydrophobicContact CD1-CD1 3.3Å; F192-Y207 AromaticContact CD1-CE1 3.52Å; F192-Y207 HydrophobicContact CD1-CE1 3.52Å; F192-Y207 AromaticContact CD1-CG 3.99Å; F192-Y207 HydrophobicContact CD1-CG 3.99Å; F192-Y207 HydrophobicContact CD2-CD1 4.29Å; F192-Y207 HydrophobicContact CD2-CG 4.46Å; F192-Y207 AromaticContact CE1-CD1 3.33Å; F192-Y207 HydrophobicContact CE1-CD1 3.33Å; F192-Y207 AromaticContact CE1-CD2 3.97Å; F192-Y207 HydrophobicContact CE1-CD2 3.97Å; F192-Y207 AromaticContact CE1-CE1 3.52Å; F192-Y207 HydrophobicContact CE1-CE1 3.52Å; F192-Y207 HydrophobicContact CE1-CE2 4.08Å; F192-Y207 AromaticContact CE1-CG 3.59Å; F192-Y207 HydrophobicContact CE1-CG 3.59Å; F192-Y207 AromaticContact CE1-CZ 3.88Å; F192-Y207 HydrophobicContact CE2-CD1 4.34Å; F192-Y207 HydrophobicContact CE2-CG 4.14Å; F192-Y207 AromaticContact CG-CD1 3.8Å; F192-Y207 HydrophobicContact CG-CD1 3.8Å; F192-Y207 HydrophobicContact CG-CE1 4.41Å; F192-Y207 HydrophobicContact CG-CG 4.4Å; F192-Y207 VanDerWaalsContact CZ-CA 3.47Å; F192-Y207 AromaticContact CZ-CD1 3.9Å; F192-Y207 HydrophobicContact CZ-CD1 3.9Å; F192-Y207 HydrophobicContact CZ-CD2 4.05Å; F192-Y207 HydrophobicContact CZ-CE1 4.45Å; F192-Y207 AromaticContact CZ-CG 3.69Å; F192-Y207 HydrophobicContact CZ-CG 3.69Å; H194-Y207 AromaticContact CD2-CE1 3.81Å; H194-Y207 PolarHBondContact NE2-OH 3.05Å; H194-Y207 VanDerWaalsContact NE2-OH 3.12Å; P200-Y207 HydrophobicContact CB-CE2 4.41Å; P200-Y207 HydrophobicContact CG-CE2 4.24Å; P200-Y207 WeakPolarHBondContact CG-OH 3.4Å; N205-Y207 WeakPolarHBondContact O-CD2 3.41Å; Y207-Y286 PolarHBondContact OH-OH 2.7Å
208V97.8Very high97.5Very high31 Ų3125.6 Ų25.619%0.18813%0.125CC..  trans-129.3155.5178.2-58.20000110.1L154 L206L154-V208 HydrophobicContact CD1-CG1 4.24Å; L154-V208 HydrophobicContact CD2-CG1 3.45Å; L154-V208 VanDerWaalsContact CD2-CG1 3.45Å; L206-V208 HydrophobicContact CB-CG2 3.83Å; L206-V208 PolarHBondContact O-N 3.09Å
209C98.3Very high97.4Very high19 Ų1925.8 Ų25.813%0.12813%0.126CC..  trans-83.9152.4-179.4-74.80000111.1C190 L240 T241C190-C209 WeakPolarHBondContact CA-SG 3.38Å; C190-C209 HydrophobicContact CB-CB 3.76Å; C190-C209 WeakPolarHBondContact CB-SG 3.48Å; C190-C209 VanDerWaalsContact SG-CA 3.52Å; C190-C209 WeakPolarHBondContact SG-CB 3.48Å; C190-C209 PolarHBondContact SG-N 3.31Å; C190-C209 CovalentContact SG-SG 2.04Å; C190-C209 PolarHBondContact SG-SG 3.16Å; C209-L240 PolarHBondContact SG-N 3.5Å; C209-L240 VanDerWaalsContact SG-N 3.44Å; C209-L240 PolarHBondContact SG-O 3.33Å; C209-T241 HydrophobicContact CB-CG2 3.73Å; C209-T241 PolarHBondContact SG-N 3.3Å
210D96.8Very high97.2Very high18 Ų1825.7 Ų25.710%0.09613%0.125CC..  trans-97.6117.2169.3-173.3-25000108.2R212 G213 Q244 S277D210-R212 PolarHBondContact O-N 3Å; D210-R212 VanDerWaalsContact O-N 3.09Å; D210-R212 VanDerWaalsContact OD1-CB 3.24Å; D210-R212 WeakPolarHBondContact OD1-CB 3.28Å; D210-R212 WeakPolarHBondContact OD1-CG 2.97Å; D210-R212 PolarHBondContact OD1-N 3.42Å; D210-R212 IonicContact OD1-NE 3.82Å; D210-R212 PolarHBondContact OD1-NE 3.07Å; D210-R212 VanDerWaalsContact OD1-NE 3.13Å; D210-R212 IonicContact OD1-NH2 3.75Å; D210-R212 IonicContact OD2-CZ 3.86Å; D210-R212 IonicContact OD2-NE 2.63Å; D210-R212 PolarHBondContact OD2-NE 3.18Å; D210-R212 IonicContact OD2-NH2 2.75Å; D210-R212 PolarHBondContact OD2-NH2 3.2Å; D210-G213 PolarHBondContact O-N 2.81Å; D210-G213 VanDerWaalsContact O-N 3.14Å; D210-G213 VanDerWaalsContact O-O 3.09Å; D210-Q244 PolarHBondContact O-NE2 2.92Å; D210-S277 WeakPolarHBondContact CB-OG 3.43Å
211P94.8Very high97.1Very high111 Ų11125.8 Ų25.872%0.72113%0.126SC*.THydrogen-bonded Turntrans-57.5-24.9178.5-25.734.8000113.8G213 Q244P211-G213 VanDerWaalsContact C-N 3.31Å; P211-G213 PolarHBondContact O-N 2.74Å; P211-Q244 PolarHBondContact O-NE2 2.92Å
212R95.4Very high96.9Very high210 Ų21027 Ų2779%0.79213%0.133SC*.THydrogen-bonded Turntrans-73.7-20.9-178.7-59.4175.6-64.3177.22.7113.3D210D210-R212 PolarHBondContact O-N 3Å; D210-R212 VanDerWaalsContact O-N 3.09Å; D210-R212 VanDerWaalsContact OD1-CB 3.24Å; D210-R212 WeakPolarHBondContact OD1-CB 3.28Å; D210-R212 WeakPolarHBondContact OD1-CG 2.97Å; D210-R212 PolarHBondContact OD1-N 3.42Å; D210-R212 IonicContact OD1-NE 3.82Å; D210-R212 PolarHBondContact OD1-NE 3.07Å; D210-R212 VanDerWaalsContact OD1-NE 3.13Å; D210-R212 IonicContact OD1-NH2 3.75Å; D210-R212 IonicContact OD2-CZ 3.86Å; D210-R212 IonicContact OD2-NE 2.63Å; D210-R212 PolarHBondContact OD2-NE 3.18Å; D210-R212 IonicContact OD2-NH2 2.75Å; D210-R212 PolarHBondContact OD2-NH2 3.2Å
213G96.6Very high96.6Very high1 Ų131.2 Ų31.21%0.0115%0.151CC..SBendtrans165.6165.2173.900000114.4D210 P211 R215 S277D210-G213 PolarHBondContact O-N 2.81Å; D210-G213 VanDerWaalsContact O-N 3.14Å; D210-G213 VanDerWaalsContact O-O 3.09Å; P211-G213 VanDerWaalsContact C-N 3.31Å; P211-G213 PolarHBondContact O-N 2.74Å; G213-R215 PolarHBondContact O-N 3.08Å; G213-S277 PolarHBondContact O-OG 3.48Å; G213-S277 VanDerWaalsContact O-OG 3.13Å
214P98.3Very high96.3Very high0 Ų034.9 Ų34.90%017%0.167CC..  trans-48.5130.7-179.4-33.240.9000112.6F234 L240 Q244 V269 M274 I276 S277P214-F234 HydrophobicContact CB-CE2 4.32Å; P214-F234 HydrophobicContact CB-CZ 3.83Å; P214-L240 HydrophobicContact CB-CD2 3.83Å; P214-L240 HydrophobicContact CB-CG 3.87Å; P214-L240 HydrophobicContact CG-CD2 3.71Å; P214-L240 HydrophobicContact CG-CG 4.16Å; P214-Q244 HydrophobicContact CG-CB 4.41Å; P214-V269 HydrophobicContact CB-CG1 4.25Å; P214-V269 HydrophobicContact CB-CG2 4.01Å; P214-V269 HydrophobicContact CG-CG1 3.89Å; P214-V269 HydrophobicContact CG-CG2 3.88Å; P214-M274 HydrophobicContact CG-CB 4.49Å; P214-M274 HydrophobicContact CG-CE 3.9Å; P214-M274 HydrophobicContact CG-SD 4.01Å; P214-I276 CarbonylContact O-C 3.52Å; P214-I276 VanDerWaalsContact O-CA 3.31Å; P214-I276 WeakPolarHBondContact O-CA 3.09Å; P214-S277 PolarHBondContact O-N 3.05Å; P214-S277 PolarHBondContact O-OG 3.12Å
215R97.9Very high96.1Very high41 Ų4136 Ų3616%0.15519%0.188CC..EExtended strand (participates in β ladder)trans-99.2128-173.8-166.9179.9170.1129.7-5.6110.4G213 V217 S238 A239 S277G213-R215 PolarHBondContact O-N 3.08Å; R215-V217 HydrophobicContact CG-CG1 3.7Å; R215-S238 CarbonylContact O-C 3.54Å; R215-S238 WeakPolarHBondContact O-CA 3.41Å; R215-S238 WeakPolarHBondContact O-CB 3.07Å; R215-A239 HydrophobicContact CB-CB 4.18Å; R215-A239 PolarHBondContact N-O 3.47Å; R215-A239 PolarHBondContact O-N 3.34Å; R215-S277 CarbonylContact C-O 3.55Å; R215-S277 WeakPolarHBondContact CA-O 3.36Å; R215-S277 VanDerWaalsContact CA-OG 3.27Å; R215-S277 WeakPolarHBondContact CA-OG 3.33Å; R215-S277 WeakPolarHBondContact CB-OG 3.41Å
216H98.2Very high95.9Very high0 Ų039.9 Ų39.90%020%0.203CC..EExtended strand (participates in β ladder)trans-100.6112.7167.5175.8-113.5000108.6A218 V219 Y233 F234 G235 I276 S277 R278 P279H216-A218 PolarHBondContact CE1-O 3.17Å; H216-A218 PolarHBondContact NE2-O 3.32Å; H216-V219 VanDerWaalsContact O-CG1 3.27Å; H216-V219 WeakPolarHBondContact O-CG1 3.49Å; H216-Y233 AromaticContact CE1-CD1 3.72Å; H216-Y233 AromaticContact NE2-CD1 3.66Å; H216-Y233 AromaticContact NE2-CE1 3.74Å; H216-F234 HydrophobicContact CB-CD2 3.63Å; H216-F234 HydrophobicContact CB-CE2 3.71Å; H216-G235 PolarHBondContact CD2-O 3.41Å; H216-G235 PolarHBondContact NE2-O 3.44Å; H216-G235 VanDerWaalsContact NE2-O 3.08Å; H216-I276 HydrophobicContact CB-CG2 3.83Å; H216-S277 PolarHBondContact N-O 3.37Å; H216-R278 HydrophobicContact CB-CG 4.03Å; H216-R278 PolarHBondContact ND1-NE 3.08Å; H216-P279 WeakPolarHBondContact O-CD 3.32Å
217V97.7Very high95.7Very high0 Ų040.8 Ų40.80%021%0.214CC..  trans-100-22.1-171.5-64.40000113.7F192 N205 R215 V219 V237 Y286F192-V217 HydrophobicContact CE1-CG2 3.76Å; F192-V217 HydrophobicContact CZ-CG1 3.96Å; F192-V217 HydrophobicContact CZ-CG2 4.03Å; N205-V217 PolarHBondContact ND2-O 2.93Å; N205-V217 VanDerWaalsContact ND2-O 3.14Å; R215-V217 HydrophobicContact CG-CG1 3.7Å; V217-V219 VanDerWaalsContact C-N 3.25Å; V217-V219 PolarHBondContact O-N 2.88Å; V217-V219 VanDerWaalsContact O-N 3.1Å; V217-V237 HydrophobicContact CG2-CB 3.7Å; V217-V237 HydrophobicContact CG2-CG1 3.44Å; V217-V237 VanDerWaalsContact CG2-CG1 3.44Å; V217-V237 WeakPolarHBondContact CG2-O 3.42Å; V217-V237 PolarHBondContact N-O 3.43Å; V217-V237 VanDerWaalsContact N-O 3.09Å; V217-Y286 HydrophobicContact CB-CE2 4.45Å; V217-Y286 HydrophobicContact CG2-CE2 4.24Å; V217-Y286 WeakPolarHBondContact CG2-OH 3.49Å; V217-Y286 VanDerWaalsContact O-CE2 3.31Å; V217-Y286 WeakPolarHBondContact O-CE2 3.49Å
218A96.7Very high95.3Very high0 Ų043.1 Ų43.10%023%0.226CC..  trans-84.956.9177.100000112.4L198 H216 M221 V237 Y286L198-A218 HydrophobicContact CD1-CB 4.42Å; H216-A218 PolarHBondContact CE1-O 3.17Å; H216-A218 PolarHBondContact NE2-O 3.32Å; A218-M221 HydrophobicContact CB-CE 4.35Å; A218-M221 HydrophobicContact CB-CG 4.29Å; A218-M221 HydrophobicContact CB-SD 4.34Å; A218-M221 WeakPolarHBondContact O-CE 3.37Å; A218-V237 HydrophobicContact CB-CB 4.14Å; A218-V237 HydrophobicContact CB-CG2 4.37Å; A218-Y286 VanDerWaalsContact CA-CD2 3.49Å; A218-Y286 HydrophobicContact CB-CD2 3.82Å; A218-Y286 HydrophobicContact CB-CE2 4.05Å; A218-Y286 HydrophobicContact CB-CG 4.12Å
219V95.1Very high94.9Very high5 Ų544.1 Ų44.13%0.0323%0.233CC..  trans-78.8-25-171.7-54.50000114.1H216 V217 L228 R278 P279 G284H216-V219 VanDerWaalsContact O-CG1 3.27Å; H216-V219 WeakPolarHBondContact O-CG1 3.49Å; V217-V219 VanDerWaalsContact C-N 3.25Å; V217-V219 PolarHBondContact O-N 2.88Å; V217-V219 VanDerWaalsContact O-N 3.1Å; V219-L228 PolarHBondContact O-N 3.43Å; V219-R278 HydrophobicContact CG1-CB 3.86Å; V219-R278 HydrophobicContact CG1-CG 3.75Å; V219-P279 HydrophobicContact CG1-CG 4.18Å; V219-P279 HydrophobicContact CG2-CG 4.34Å; V219-G284 PolarHBondContact N-O 3.09Å
220A95.4Very high94.6Very high0 Ų047.2 Ų47.20%024%0.243CC..EExtended strand (participates in β ladder)trans-13088.4-178.100000109.5Y226 G284 H285 Y286A220-Y226 HydrophobicContact CB-CD1 4.27Å; A220-Y226 WeakPolarHBondContact CB-O 3.22Å; A220-Y226 VanDerWaalsContact O-CD1 3.32Å; A220-Y226 WeakPolarHBondContact O-CD1 3.44Å; A220-G284 PolarHBondContact N-O 3.48Å; A220-H285 CarbonylContact O-C 3.57Å; A220-H285 VanDerWaalsContact O-CA 3.28Å; A220-H285 WeakPolarHBondContact O-CA 3.45Å; A220-Y286 PolarHBondContact O-N 3.29Å
221M95.8Very high94.3Very high1 Ų150.5 Ų50.51%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-96.2139.4179.2-73.1177.6-89.200111.8L198 A218 K223 F224 G225 Y226 Y233 Y286L198-M221 HydrophobicContact CD1-SD 4.01Å; L198-M221 HydrophobicContact CD2-CG 4.2Å; L198-M221 HydrophobicContact CD2-SD 3.73Å; A218-M221 HydrophobicContact CB-CE 4.35Å; A218-M221 HydrophobicContact CB-CG 4.29Å; A218-M221 HydrophobicContact CB-SD 4.34Å; A218-M221 WeakPolarHBondContact O-CE 3.37Å; M221-K223 HydrophobicContact CB-CG 4.22Å; M221-K223 PolarHBondContact O-N 3.13Å; M221-K223 VanDerWaalsContact O-N 3.17Å; M221-K223 HydrophobicContact SD-CD 4.43Å; M221-F224 HydrophobicContact CB-CD2 4.06Å; M221-F224 HydrophobicContact CE-CD2 3.71Å; M221-F224 HydrophobicContact CE-CE2 3.56Å; M221-F224 CarbonylContact O-C 3.54Å; M221-F224 PolarHBondContact O-N 3.44Å; M221-F224 HydrophobicContact SD-CD2 4.38Å; M221-F224 HydrophobicContact SD-CE2 4.29Å; M221-G225 PolarHBondContact O-N 3.14Å; M221-Y226 WeakPolarHBondContact O-CA 3.42Å; M221-Y226 PolarHBondContact O-N 3.28Å; M221-Y233 HydrophobicContact CE-CD1 4.33Å; M221-Y233 HydrophobicContact CE-CE1 3.33Å; M221-Y286 WeakPolarHBondContact CA-O 3.46Å
222N93.9Very high94.1Very high41 Ų4150.8 Ų50.822%0.21926%0.257CS..G310 helixtrans-53.5-37.2176.771.1-32000113.4F224 G225 Y226 Y286 K287 M288N222-F224 PolarHBondContact O-N 2.98Å; N222-G225 PolarHBondContact O-N 3.16Å; N222-G225 VanDerWaalsContact O-N 3.1Å; N222-Y226 HydrophobicContact CB-CE1 4.12Å; N222-Y226 HydrophobicContact CB-CE2 3.86Å; N222-Y286 PolarHBondContact N-O 3.3Å; N222-K287 HydrophobicContact CB-CG 4.23Å; N222-K287 WeakPolarHBondContact ND2-CG 3.35Å; N222-M288 WeakPolarHBondContact OD1-CB 3.43Å; N222-M288 PolarHBondContact OD1-N 2.82Å
223K91.4Very high93.9Very high89 Ų8941.5 Ų41.539%0.38722%0.222SC..G310 helixtrans-63.3-21.4179.780.7-170.7-168.9-175.90113.5M221 M288M221-K223 HydrophobicContact CB-CG 4.22Å; M221-K223 PolarHBondContact O-N 3.13Å; M221-K223 VanDerWaalsContact O-N 3.17Å; M221-K223 HydrophobicContact SD-CD 4.43Å; K223-M288 HydrophobicContact CB-SD 4.2Å; K223-M288 HydrophobicContact CD-CB 4.34Å; K223-M288 HydrophobicContact CD-CE 4.43Å; K223-M288 HydrophobicContact CD-CG 4.33Å; K223-M288 HydrophobicContact CD-SD 3.22Å; K223-M288 WeakPolarHBondContact CD-SD 3.18Å; K223-M288 HydrophobicContact CG-SD 4.32Å
224F91.1Very high93.9Very high78 Ų7841.7 Ų41.734%0.34222%0.223SC..G310 helixtrans-112.222.8178.9-57.7-50.2000111.9M221 N222 Y226 S227 P229 Y233M221-F224 HydrophobicContact CB-CD2 4.06Å; M221-F224 HydrophobicContact CE-CD2 3.71Å; M221-F224 HydrophobicContact CE-CE2 3.56Å; M221-F224 CarbonylContact O-C 3.54Å; M221-F224 PolarHBondContact O-N 3.44Å; M221-F224 HydrophobicContact SD-CD2 4.38Å; M221-F224 HydrophobicContact SD-CE2 4.29Å; N222-F224 PolarHBondContact O-N 2.98Å; F224-Y226 VanDerWaalsContact C-N 3.29Å; F224-Y226 PolarHBondContact O-N 3.2Å; F224-S227 WeakPolarHBondContact CB-O 3.4Å; F224-S227 PolarHBondContact O-N 3.43Å; F224-P229 HydrophobicContact CB-CG 4.2Å; F224-P229 HydrophobicContact CD1-CG 4Å; F224-P229 HydrophobicContact CD2-CG 3.3Å; F224-P229 HydrophobicContact CE1-CG 4.08Å; F224-P229 HydrophobicContact CE2-CG 3.37Å; F224-P229 HydrophobicContact CG-CG 3.6Å; F224-P229 HydrophobicContact CZ-CG 3.76Å; F224-Y233 HydrophobicContact CE2-CE1 4.41Å; F224-Y233 HydrophobicContact CE2-CE2 4.41Å; F224-Y233 AromaticContact CE2-CZ 3.98Å
225G93.4Very high93.7Very high57 Ų5741.8 Ų41.859%0.58822%0.223SC*.THydrogen-bonded Turntrans62.935.2-179.300000113.2M221 N222 S227M221-G225 PolarHBondContact O-N 3.14Å; N222-G225 PolarHBondContact O-N 3.16Å; N222-G225 VanDerWaalsContact O-N 3.1Å; G225-S227 PolarHBondContact O-N 2.68Å
226Y94.8Very high93.6Very high82 Ų8239.9 Ų39.932%0.32222%0.217SC..THydrogen-bonded Turntrans58.130.7-179.7-69.2-73.5000114.2E201 A220 M221 N222 F224 H285E201-Y226 PolarHBondContact OE1-OH 3.24Å; E201-Y226 WeakPolarHBondContact OE2-CE1 3.37Å; E201-Y226 PolarHBondContact OE2-OH 3.13Å; A220-Y226 HydrophobicContact CB-CD1 4.27Å; A220-Y226 WeakPolarHBondContact CB-O 3.22Å; A220-Y226 VanDerWaalsContact O-CD1 3.32Å; A220-Y226 WeakPolarHBondContact O-CD1 3.44Å; M221-Y226 WeakPolarHBondContact O-CA 3.42Å; M221-Y226 PolarHBondContact O-N 3.28Å; N222-Y226 HydrophobicContact CB-CE1 4.12Å; N222-Y226 HydrophobicContact CB-CE2 3.86Å; F224-Y226 VanDerWaalsContact C-N 3.29Å; F224-Y226 PolarHBondContact O-N 3.2Å; Y226-H285 HydrophobicContact CD1-CB 4.44Å; Y226-H285 AromaticContact CD1-CE1 3.79Å; Y226-H285 AromaticContact CD1-CG 3.97Å; Y226-H285 AromaticContact CD1-ND1 3.21Å; Y226-H285 WeakPolarHBondContact CD1-ND1 3.28Å; Y226-H285 HydrophobicContact CE1-CB 4.28Å; Y226-H285 AromaticContact CE1-ND1 3.45Å; Y226-H285 WeakPolarHBondContact CE1-ND1 3.46Å; Y226-H285 AromaticContact CG-ND1 3.98Å
227S91.5Very high93.6Very high72 Ų7239.9 Ų39.950%0.50322%0.217SC..SBendtrans-128.1152.8176.8-64.60000110.8F224 G225F224-S227 WeakPolarHBondContact CB-O 3.4Å; F224-S227 PolarHBondContact O-N 3.43Å; G225-S227 PolarHBondContact O-N 2.68Å
228L91.4Very high93.7Very high50 Ų5040 Ų4026%0.26222%0.217SC..  trans-70.1126.9174.2-170.671.7000108.8V219 Y230 Y233V219-L228 PolarHBondContact O-N 3.43Å; L228-Y230 VanDerWaalsContact C-N 3.35Å; L228-Y230 WeakPolarHBondContact CD2-O 3.41Å; L228-Y230 WeakPolarHBondContact CG-O 3.2Å; L228-Y230 PolarHBondContact O-N 2.83Å; L228-Y233 HydrophobicContact CD1-CD1 3.99Å; L228-Y233 HydrophobicContact CD1-CG 4.47Å
229P89.6Confident93.8Very high52 Ų5240 Ų4034%0.33822%0.217SC..SBendtrans-59.2-43-177.2-27.435.7000113.7F224 Y233F224-P229 HydrophobicContact CB-CG 4.2Å; F224-P229 HydrophobicContact CD1-CG 4Å; F224-P229 HydrophobicContact CD2-CG 3.3Å; F224-P229 HydrophobicContact CE1-CG 4.08Å; F224-P229 HydrophobicContact CE2-CG 3.37Å; F224-P229 HydrophobicContact CG-CG 3.6Å; F224-P229 HydrophobicContact CZ-CG 3.76Å; P229-Y233 HydrophobicContact CB-CD2 4.46Å; P229-Y233 HydrophobicContact CG-CD1 4.38Å; P229-Y233 HydrophobicContact CG-CD2 4.19Å; P229-Y233 HydrophobicContact CG-CE2 4.47Å; P229-Y233 HydrophobicContact CG-CG 4.14Å
230Y91.9Very high93.9Very high83 Ų8339.8 Ų39.833%0.32522%0.216SC..SBendtrans-160.3158.2176.349.2-90.9000110.2L228 Q232 Y233 D263L228-Y230 VanDerWaalsContact C-N 3.35Å; L228-Y230 WeakPolarHBondContact CD2-O 3.41Å; L228-Y230 WeakPolarHBondContact CG-O 3.2Å; L228-Y230 PolarHBondContact O-N 2.83Å; Y230-Q232 VanDerWaalsContact C-N 3.26Å; Y230-Q232 HydrophobicContact CD2-CB 4.14Å; Y230-Q232 HydrophobicContact CE2-CB 4.34Å; Y230-Q232 PolarHBondContact O-N 2.58Å; Y230-Q232 VanDerWaalsContact O-N 3.12Å; Y230-Y233 AromaticContact CE1-CD2 3.88Å; Y230-Y233 HydrophobicContact CE1-CD2 3.88Å; Y230-Y233 HydrophobicContact CE2-CD2 4.27Å; Y230-Y233 AromaticContact CZ-CD2 3.66Å; Y230-Y233 VanDerWaalsContact O-CB 3.24Å; Y230-Y233 WeakPolarHBondContact O-CB 3.46Å; Y230-Y233 PolarHBondContact O-N 3.46Å; Y230-D263 VanDerWaalsContact CE2-OD1 3.29Å; Y230-D263 WeakPolarHBondContact CE2-OD1 3.17Å; Y230-D263 VanDerWaalsContact OH-CG 3.31Å; Y230-D263 PolarHBondContact OH-OD1 3.01Å; Y230-D263 PolarHBondContact OH-OD2 3.12Å
231P89.6Confident94.1Very high88 Ų8841 Ų4157%0.57122%0.223SC*.THydrogen-bonded Turntrans-60.2-28.4-169.5-26.835.9000115.8R278P231-R278 VanDerWaalsContact O-CZ 3.27Å; P231-R278 PolarHBondContact O-NH1 3.26Å; P231-R278 PolarHBondContact O-NH2 3.36Å
232Q89.8Confident94.2Very high117 Ų11741.9 Ų41.955%0.54723%0.23SC..THydrogen-bonded Turntrans-86.6-8.5-179.2-64.574.218.800113.4Y230 F234 A266Y230-Q232 VanDerWaalsContact C-N 3.26Å; Y230-Q232 HydrophobicContact CD2-CB 4.14Å; Y230-Q232 HydrophobicContact CE2-CB 4.34Å; Y230-Q232 PolarHBondContact O-N 2.58Å; Y230-Q232 VanDerWaalsContact O-N 3.12Å; Q232-F234 PolarHBondContact O-N 3.24Å; Q232-A266 VanDerWaalsContact O-CB 3.28Å; Q232-A266 WeakPolarHBondContact O-CB 3.46Å
233Y92.2Very high94.5Very high15 Ų1546.1 Ų46.16%0.05925%0.252CS..  trans-57.4126-175.8-175.7-95.3000112.1H216 M221 F224 L228 P229 Y230 R278H216-Y233 AromaticContact CE1-CD1 3.72Å; H216-Y233 AromaticContact NE2-CD1 3.66Å; H216-Y233 AromaticContact NE2-CE1 3.74Å; M221-Y233 HydrophobicContact CE-CD1 4.33Å; M221-Y233 HydrophobicContact CE-CE1 3.33Å; F224-Y233 HydrophobicContact CE2-CE1 4.41Å; F224-Y233 HydrophobicContact CE2-CE2 4.41Å; F224-Y233 AromaticContact CE2-CZ 3.98Å; L228-Y233 HydrophobicContact CD1-CD1 3.99Å; L228-Y233 HydrophobicContact CD1-CG 4.47Å; P229-Y233 HydrophobicContact CB-CD2 4.46Å; P229-Y233 HydrophobicContact CG-CD1 4.38Å; P229-Y233 HydrophobicContact CG-CD2 4.19Å; P229-Y233 HydrophobicContact CG-CE2 4.47Å; P229-Y233 HydrophobicContact CG-CG 4.14Å; Y230-Y233 AromaticContact CE1-CD2 3.88Å; Y230-Y233 HydrophobicContact CE1-CD2 3.88Å; Y230-Y233 HydrophobicContact CE2-CD2 4.27Å; Y230-Y233 AromaticContact CZ-CD2 3.66Å; Y230-Y233 VanDerWaalsContact O-CB 3.24Å; Y230-Y233 WeakPolarHBondContact O-CB 3.46Å; Y230-Y233 PolarHBondContact O-N 3.46Å; Y233-R278 PolarHBondContact O-NH2 2.79Å
234F96.6Very high94.8Very high5 Ų542.4 Ų42.42%0.02224%0.236CC..  trans-133.515.5-176.8-159.5-107000112.9P214 H216 Q232 I265 A266 I276P214-F234 HydrophobicContact CB-CE2 4.32Å; P214-F234 HydrophobicContact CB-CZ 3.83Å; H216-F234 HydrophobicContact CB-CD2 3.63Å; H216-F234 HydrophobicContact CB-CE2 3.71Å; Q232-F234 PolarHBondContact O-N 3.24Å; F234-I265 HydrophobicContact CD1-CB 4.35Å; F234-I265 HydrophobicContact CD1-CG2 3.46Å; F234-I265 VanDerWaalsContact CD1-CG2 3.46Å; F234-I265 HydrophobicContact CE1-CG2 3.62Å; F234-A266 HydrophobicContact CB-CB 3.87Å; F234-I276 HydrophobicContact CB-CD1 4.38Å; F234-I276 HydrophobicContact CD2-CB 4.46Å; F234-I276 HydrophobicContact CD2-CD1 3.64Å; F234-I276 HydrophobicContact CD2-CG1 3.81Å; F234-I276 HydrophobicContact CD2-CG2 3.81Å; F234-I276 HydrophobicContact CE2-CB 4.44Å; F234-I276 HydrophobicContact CE2-CD1 4.28Å; F234-I276 HydrophobicContact CE2-CG1 3.92Å; F234-I276 HydrophobicContact CE2-CG2 3.82Å; F234-I276 HydrophobicContact CG-CD1 4.24Å
235G94.1Very high95.2Very high1 Ų138.8 Ų38.81%0.0122%0.22CC..  trans-78.1173.5179.700000113.9H216 V237 D262H216-G235 PolarHBondContact CD2-O 3.41Å; H216-G235 PolarHBondContact NE2-O 3.44Å; H216-G235 VanDerWaalsContact NE2-O 3.08Å; G235-V237 PolarHBondContact O-N 2.7Å; G235-D262 WeakPolarHBondContact CA-OD2 3.2Å
236G96.1Very high95.4Very high2 Ų240.5 Ų40.52%0.02122%0.216CC..SBendtrans83.4-92.9176.900000113.7D195D195-G236 PolarHBondContact N-O 3.44Å; D195-G236 WeakPolarHBondContact OD2-CA 3.37Å
237V98.6Very high95.6Very high0 Ų042.5 Ų42.50%023%0.226CC..EExtended strand (participates in β ladder)trans-132.4124.4-176.7-169.60000110.9F192 L193 H194 L198 V217 A218 G235 Y286F192-V237 HydrophobicContact CD1-CG1 3.84Å; F192-V237 HydrophobicContact CE1-CG1 3.75Å; L193-V237 WeakPolarHBondContact O-CA 3.45Å; H194-V237 HydrophobicContact CB-CG1 4.2Å; H194-V237 VanDerWaalsContact CD2-CG1 3.4Å; H194-V237 WeakPolarHBondContact CD2-CG1 3.32Å; L198-V237 HydrophobicContact CB-CG2 3.97Å; L198-V237 HydrophobicContact CD1-CG2 3.83Å; V217-V237 HydrophobicContact CG2-CB 3.7Å; V217-V237 HydrophobicContact CG2-CG1 3.44Å; V217-V237 VanDerWaalsContact CG2-CG1 3.44Å; V217-V237 WeakPolarHBondContact CG2-O 3.42Å; V217-V237 PolarHBondContact N-O 3.43Å; V217-V237 VanDerWaalsContact N-O 3.09Å; A218-V237 HydrophobicContact CB-CB 4.14Å; A218-V237 HydrophobicContact CB-CG2 4.37Å; G235-V237 PolarHBondContact O-N 2.7Å; V237-Y286 HydrophobicContact CB-CE1 4.37Å; V237-Y286 HydrophobicContact CG2-CD1 4.36Å; V237-Y286 HydrophobicContact CG2-CE1 3.82Å
238S98.3Very high95.9Very high2 Ų239 Ų391%0.01420%0.202CC..EExtended strand (participates in β ladder)trans-135.1160.5179.659.30000111.8L193 R215L193-S238 PolarHBondContact N-O 2.04Å; L193-S238 PolarHBondContact O-N 2.83Å; R215-S238 CarbonylContact O-C 3.54Å; R215-S238 WeakPolarHBondContact O-CA 3.41Å; R215-S238 WeakPolarHBondContact O-CB 3.07Å
239A98.6Very high96.2Very high0 Ų037.7 Ų37.70%020%0.195CC..EExtended strand (participates in β ladder)trans-135.9134178.500000111.3L191 F192 R215L191-A239 CarbonylContact O-C 3.49Å; L191-A239 VanDerWaalsContact O-CA 3.24Å; L191-A239 WeakPolarHBondContact O-CA 3.17Å; F192-A239 HydrophobicContact CD2-CB 3.41Å; F192-A239 VanDerWaalsContact CD2-CB 3.41Å; F192-A239 HydrophobicContact CE2-CB 3.2Å; F192-A239 HydrophobicContact CG-CB 4.14Å; F192-A239 HydrophobicContact CZ-CB 3.83Å; R215-A239 HydrophobicContact CB-CB 4.18Å; R215-A239 PolarHBondContact N-O 3.47Å; R215-A239 PolarHBondContact O-N 3.34Å
240L98.8Very high96.6Very high0 Ų035.2 Ų35.20%018%0.179CC..EExtended strand (participates in β ladder)trans-137.7139.9179.9-62.993.7000109.3L191 L193 C209 P214 Q244 Y245 M248 F251L191-L240 WeakPolarHBondContact CA-O 3.42Å; L191-L240 VanDerWaalsContact CB-O 3.31Å; L191-L240 WeakPolarHBondContact CB-O 3.44Å; L191-L240 PolarHBondContact N-O 3.19Å; L191-L240 PolarHBondContact O-N 2.88Å; L193-L240 HydrophobicContact CD1-CD1 3.87Å; C209-L240 PolarHBondContact SG-N 3.5Å; C209-L240 VanDerWaalsContact SG-N 3.44Å; C209-L240 PolarHBondContact SG-O 3.33Å; P214-L240 HydrophobicContact CB-CD2 3.83Å; P214-L240 HydrophobicContact CB-CG 3.87Å; P214-L240 HydrophobicContact CG-CD2 3.71Å; P214-L240 HydrophobicContact CG-CG 4.16Å; L240-Q244 HydrophobicContact CB-CB 4.24Å; L240-Q244 HydrophobicContact CD2-CB 4.48Å; L240-Y245 HydrophobicContact CB-CD2 4.4Å; L240-Y245 HydrophobicContact CD1-CD2 4.4Å; L240-Y245 HydrophobicContact CD2-CD2 4.21Å; L240-M248 HydrophobicContact CD2-SD 3.55Å; L240-M248 VanDerWaalsContact CD2-SD 3.55Å; L240-F251 HydrophobicContact CD1-CE1 4.43Å; L240-F251 HydrophobicContact CD1-CZ 4.2Å
241T98.8Very high96.9Very high25 Ų2531.3 Ų31.315%0.15316%0.163CC..  trans-64.4155.3164.869.40000109C209 D243 Q244 Y245C209-T241 HydrophobicContact CB-CG2 3.73Å; C209-T241 PolarHBondContact SG-N 3.3Å; T241-D243 PolarHBondContact O-N 3.28Å; T241-Q244 PolarHBondContact O-N 3.06Å; T241-Q244 VanDerWaalsContact O-N 3.09Å; T241-Q244 WeakPolarHBondContact OG1-CB 3.47Å; T241-Q244 WeakPolarHBondContact OG1-CG 3.46Å; T241-Q244 PolarHBondContact OG1-N 2.96Å; T241-Q244 VanDerWaalsContact OG1-N 3.12Å; T241-Y245 PolarHBondContact O-N 3.04Å
242P98.6Very high97.3Very high21 Ų2127.1 Ų27.114%0.13614%0.136CC..Hα-helixtrans-51.5-41.5173.8-27.434.8000112.6L183 W188 L191 Y245 L246L183-P242 HydrophobicContact CD2-CB 4.08Å; L183-P242 HydrophobicContact CD2-CG 3.94Å; W188-P242 WeakPolarHBondContact O-CG 3.39Å; L191-P242 HydrophobicContact CD1-CB 4.44Å; L191-P242 HydrophobicContact CD1-CG 4.39Å; L191-P242 HydrophobicContact CG-CG 4.28Å; P242-Y245 PolarHBondContact O-N 3.09Å; P242-L246 WeakPolarHBondContact O-CB 3.31Å; P242-L246 WeakPolarHBondContact O-CG 3.25Å; P242-L246 PolarHBondContact O-N 2.96Å
243D98.6Very high97.7Very high129 Ų12922 Ų2269%0.6911%0.112SC*.Hα-helixtrans-62.6-45.3176.9-65.5-22.4000112.7T241 Y245 L246 K247T241-D243 PolarHBondContact O-N 3.28Å; D243-Y245 VanDerWaalsContact C-N 3.31Å; D243-Y245 PolarHBondContact O-N 3.37Å; D243-L246 PolarHBondContact O-N 3.05Å; D243-K247 WeakPolarHBondContact O-CB 3.33Å; D243-K247 PolarHBondContact O-N 3.46Å
244Q98.8Very high97.9Very high12 Ų1225.5 Ų25.56%0.05613%0.129CC..Hα-helixtrans-61.4-42.8176.5-72.7167.2-1.600110.8D210 P211 P214 L240 T241 K247 M248 M274D210-Q244 PolarHBondContact O-NE2 2.92Å; P211-Q244 PolarHBondContact O-NE2 2.92Å; P214-Q244 HydrophobicContact CG-CB 4.41Å; L240-Q244 HydrophobicContact CB-CB 4.24Å; L240-Q244 HydrophobicContact CD2-CB 4.48Å; T241-Q244 PolarHBondContact O-N 3.06Å; T241-Q244 VanDerWaalsContact O-N 3.09Å; T241-Q244 WeakPolarHBondContact OG1-CB 3.47Å; T241-Q244 WeakPolarHBondContact OG1-CG 3.46Å; T241-Q244 PolarHBondContact OG1-N 2.96Å; T241-Q244 VanDerWaalsContact OG1-N 3.12Å; Q244-K247 PolarHBondContact O-N 3.41Å; Q244-M248 WeakPolarHBondContact O-CG 3.37Å; Q244-M248 PolarHBondContact O-N 2.85Å; Q244-M274 HydrophobicContact CB-CE 4.44Å; Q244-M274 HydrophobicContact CB-SD 3.93Å; Q244-M274 HydrophobicContact CG-SD 3.83Å; Q244-M274 WeakPolarHBondContact O-CE 3.23Å
245Y98.8Very high97.9Very high1 Ų125.4 Ų25.40%0.00413%0.129CC..Hα-helixtrans-63.3-46.9179.3-166.1-96.7000111.7N176 V179 L191 L193 L240 T241 P242 D243 M248 G250 F251 M319N176-Y245 WeakPolarHBondContact CA-OH 3.49Å; N176-Y245 PolarHBondContact OD1-OH 3.46Å; V179-Y245 HydrophobicContact CB-CD1 4.47Å; V179-Y245 HydrophobicContact CB-CE1 3.89Å; V179-Y245 HydrophobicContact CG1-CD1 3.77Å; V179-Y245 HydrophobicContact CG1-CE1 3.65Å; V179-Y245 HydrophobicContact CG2-CD1 4.44Å; V179-Y245 HydrophobicContact CG2-CE1 3.9Å; V179-Y245 HydrophobicContact CG2-CE2 4.17Å; L191-Y245 HydrophobicContact CD1-CD1 4.4Å; L191-Y245 HydrophobicContact CD1-CD2 4.46Å; L191-Y245 HydrophobicContact CD1-CG 4Å; L193-Y245 HydrophobicContact CD1-CD2 4.07Å; L193-Y245 HydrophobicContact CD1-CE2 3.53Å; L240-Y245 HydrophobicContact CB-CD2 4.4Å; L240-Y245 HydrophobicContact CD1-CD2 4.4Å; L240-Y245 HydrophobicContact CD2-CD2 4.21Å; T241-Y245 PolarHBondContact O-N 3.04Å; P242-Y245 PolarHBondContact O-N 3.09Å; D243-Y245 VanDerWaalsContact C-N 3.31Å; D243-Y245 PolarHBondContact O-N 3.37Å; Y245-M248 WeakPolarHBondContact O-CG 3.34Å; Y245-M248 PolarHBondContact O-N 3.39Å; Y245-G250 WeakPolarHBondContact O-CA 3.43Å; Y245-G250 PolarHBondContact O-N 2.83Å; Y245-F251 HydrophobicContact CD2-CD1 4.41Å; Y245-F251 HydrophobicContact CD2-CE1 4.13Å; Y245-F251 AromaticContact CE2-CD1 3.61Å; Y245-F251 HydrophobicContact CE2-CD1 3.61Å; Y245-F251 HydrophobicContact CE2-CD2 4.31Å; Y245-F251 AromaticContact CE2-CE1 3.6Å; Y245-F251 HydrophobicContact CE2-CE1 3.6Å; Y245-F251 HydrophobicContact CE2-CE2 4.32Å; Y245-F251 HydrophobicContact CE2-CG 4.01Å; Y245-F251 AromaticContact CE2-CZ 4Å; Y245-F251 HydrophobicContact CE2-CZ 4Å; Y245-M319 HydrophobicContact CD1-CG 4.24Å; Y245-M319 HydrophobicContact CE1-CE 4.37Å; Y245-M319 HydrophobicContact CE1-CG 3.67Å; Y245-M319 HydrophobicContact CE1-SD 3.83Å
246L98.3Very high98Very high94 Ų9426 Ų2649%0.49213%0.131SC..Hα-helixtrans-69.5-36.1178.6-66.7176.5000112.4P242 D243 M248 N249P242-L246 WeakPolarHBondContact O-CB 3.31Å; P242-L246 WeakPolarHBondContact O-CG 3.25Å; P242-L246 PolarHBondContact O-N 2.96Å; D243-L246 PolarHBondContact O-N 3.05Å; L246-M248 PolarHBondContact O-N 3Å; L246-N249 PolarHBondContact O-N 3.01Å
247K98.3Very high98Very high123 Ų12326.2 Ų26.254%0.53513%0.133SC..Hα-helixtrans-58.1-31.5176.6-172.2-177.4-175.8-169.90112.7D243 Q244 A272 M274D243-K247 WeakPolarHBondContact O-CB 3.33Å; D243-K247 PolarHBondContact O-N 3.46Å; Q244-K247 PolarHBondContact O-N 3.41Å; K247-A272 WeakPolarHBondContact CE-O 3.48Å; K247-A272 HydrophobicContact CG-CB 4.36Å; K247-A272 PolarHBondContact NZ-O 3.05Å; K247-A272 VanDerWaalsContact NZ-O 3.13Å; K247-M274 HydrophobicContact CD-CG 4.4Å; K247-M274 HydrophobicContact CD-SD 4.13Å
248M97.6Very high97.6Very high0 Ų033.1 Ų33.10%016%0.159CC..THydrogen-bonded Turntrans-94.913.9176.667.3176.9-79.100113.9L240 Q244 Y245 L246 G250 F251 I265 R268 V269 A272 M274L240-M248 HydrophobicContact CD2-SD 3.55Å; L240-M248 VanDerWaalsContact CD2-SD 3.55Å; Q244-M248 WeakPolarHBondContact O-CG 3.37Å; Q244-M248 PolarHBondContact O-N 2.85Å; Y245-M248 WeakPolarHBondContact O-CG 3.34Å; Y245-M248 PolarHBondContact O-N 3.39Å; L246-M248 PolarHBondContact O-N 3Å; M248-G250 PolarHBondContact O-N 3.46Å; M248-F251 HydrophobicContact CE-CD1 3.93Å; M248-F251 HydrophobicContact CE-CE1 3.92Å; M248-F251 HydrophobicContact SD-CE1 4.38Å; M248-I265 HydrophobicContact CE-CB 4.5Å; M248-I265 HydrophobicContact CE-CG2 3.81Å; M248-R268 HydrophobicContact CB-CB 4.3Å; M248-R268 HydrophobicContact CE-CB 3.49Å; M248-R268 VanDerWaalsContact CE-CB 3.49Å; M248-R268 HydrophobicContact CE-CG 4.33Å; M248-V269 HydrophobicContact CE-CG2 4.28Å; M248-V269 HydrophobicContact SD-CG2 3.93Å; M248-A272 HydrophobicContact CB-CB 4.04Å; M248-M274 HydrophobicContact CB-CE 4.09Å; M248-M274 HydrophobicContact CG-CE 4.44Å; M248-M274 HydrophobicContact SD-CE 4.41Å
249N98.5Very high97.3Very high22 Ų2233.3 Ų33.312%0.11816%0.162CC..THydrogen-bonded Turntrans55.532.4-173.3-170.932000112.8L246 W314 G318 M319 N320L246-N249 PolarHBondContact O-N 3.01Å; N249-W314 HydrophobicContact CB-CE3 4.4Å; N249-W314 HydrophobicContact CB-CZ3 4.46Å; N249-W314 PolarHBondContact ND2-O 3.48Å; N249-G318 CarbonylContact O-C 3.45Å; N249-G318 WeakPolarHBondContact O-CA 3.4Å; N249-M319 PolarHBondContact O-N 2.82Å; N249-M319 PolarHBondContact OD1-N 2.99Å; N249-N320 PolarHBondContact ND2-OD1 3.12Å; N249-N320 VanDerWaalsContact OD1-CG 3.23Å; N249-N320 PolarHBondContact OD1-N 2.87Å; N249-N320 PolarHBondContact OD1-OD1 2.92Å
250G98.3Very high96.9Very high0 Ų033.7 Ų33.70%017%0.165CC..SBendtrans52.8-149.7-172.200000114.1Y245 M248 R268Y245-G250 WeakPolarHBondContact O-CA 3.43Å; Y245-G250 PolarHBondContact O-N 2.83Å; M248-G250 PolarHBondContact O-N 3.46Å; G250-R268 PolarHBondContact O-NH1 2.87Å
251F98.4Very high96.8Very high1 Ų134.5 Ų34.50%0.00417%0.169CC..SBendtrans-97.5156.8-170.4-70.81000111.9A172 L175 N176 L193 L240 Y245 M248 I265 G318A172-F251 HydrophobicContact CB-CB 4.09Å; L175-F251 HydrophobicContact CB-CD2 4Å; L175-F251 HydrophobicContact CB-CE2 4.45Å; L175-F251 HydrophobicContact CD1-CD2 3.82Å; L175-F251 HydrophobicContact CD1-CE2 3.76Å; N176-F251 PolarHBondContact ND2-O 3.05Å; N176-F251 PolarHBondContact OD1-N 3.4Å; L193-F251 HydrophobicContact CB-CE2 4.4Å; L193-F251 HydrophobicContact CD1-CD2 4.13Å; L193-F251 HydrophobicContact CD1-CE1 4.03Å; L193-F251 HydrophobicContact CD1-CE2 3.21Å; L193-F251 HydrophobicContact CD1-CZ 3.17Å; L193-F251 HydrophobicContact CG-CE2 4.39Å; L240-F251 HydrophobicContact CD1-CE1 4.43Å; L240-F251 HydrophobicContact CD1-CZ 4.2Å; Y245-F251 HydrophobicContact CD2-CD1 4.41Å; Y245-F251 HydrophobicContact CD2-CE1 4.13Å; Y245-F251 AromaticContact CE2-CD1 3.61Å; Y245-F251 HydrophobicContact CE2-CD1 3.61Å; Y245-F251 HydrophobicContact CE2-CD2 4.31Å; Y245-F251 AromaticContact CE2-CE1 3.6Å; Y245-F251 HydrophobicContact CE2-CE1 3.6Å; Y245-F251 HydrophobicContact CE2-CE2 4.32Å; Y245-F251 HydrophobicContact CE2-CG 4.01Å; Y245-F251 AromaticContact CE2-CZ 4Å; Y245-F251 HydrophobicContact CE2-CZ 4Å; M248-F251 HydrophobicContact CE-CD1 3.93Å; M248-F251 HydrophobicContact CE-CE1 3.92Å; M248-F251 HydrophobicContact SD-CE1 4.38Å; F251-I265 HydrophobicContact CB-CD1 4.19Å; F251-I265 HydrophobicContact CB-CG1 4.25Å; F251-I265 HydrophobicContact CD1-CB 4.48Å; F251-I265 HydrophobicContact CD1-CD1 3.87Å; F251-I265 HydrophobicContact CD1-CG1 3.67Å; F251-I265 HydrophobicContact CD1-CG2 3.97Å; F251-I265 HydrophobicContact CD2-CD1 3.47Å; F251-I265 VanDerWaalsContact CD2-CD1 3.47Å; F251-I265 HydrophobicContact CD2-CG1 4.2Å; F251-I265 HydrophobicContact CE1-CB 4.34Å; F251-I265 HydrophobicContact CE1-CD1 4Å; F251-I265 HydrophobicContact CE1-CG1 3.93Å; F251-I265 HydrophobicContact CE1-CG2 3.41Å; F251-I265 VanDerWaalsContact CE1-CG2 3.41Å; F251-I265 HydrophobicContact CE2-CD1 3.56Å; F251-I265 HydrophobicContact CE2-CG1 4.39Å; F251-I265 HydrophobicContact CG-CD1 3.59Å; F251-I265 HydrophobicContact CG-CG1 3.8Å; F251-I265 HydrophobicContact CZ-CD1 3.82Å; F251-I265 HydrophobicContact CZ-CG1 4.25Å; F251-I265 HydrophobicContact CZ-CG2 3.74Å; F251-G318 WeakPolarHBondContact O-CA 3.49Å
252P98.1Very high96.7Very high0 Ų034.2 Ų34.20%017%0.167CC..  trans-65.7141.4178.628.4-36.3000111.5A172 Y255 E261 D264 R268 D317A172-P252 HydrophobicContact CB-CG 4.24Å; A172-P252 WeakPolarHBondContact CB-O 3.33Å; P252-Y255 HydrophobicContact CB-CD2 3.62Å; P252-Y255 HydrophobicContact CB-CE2 3.82Å; P252-Y255 HydrophobicContact CG-CD2 3.54Å; P252-Y255 HydrophobicContact CG-CE2 3.77Å; P252-E261 HydrophobicContact CG-CB 4.33Å; P252-D264 HydrophobicContact CG-CB 4.24Å; P252-R268 VanDerWaalsContact CB-NH2 3.35Å; P252-D317 VanDerWaalsContact CA-OD2 3.29Å; P252-D317 WeakPolarHBondContact CA-OD2 3.3Å; P252-D317 WeakPolarHBondContact CB-OD2 3.29Å
253N98.1Very high96.6Very high9 Ų934.9 Ų34.95%0.04817%0.169CC..SBendtrans-95.5-9.1175.8-55.7-69.8000112.9N170 K173 N176 D317 G318 S321 L322N170-N253 PolarHBondContact ND2-O 3.4Å; K173-N253 HydrophobicContact CB-CB 4.39Å; K173-N253 HydrophobicContact CD-CB 3.97Å; K173-N253 HydrophobicContact CG-CB 4.14Å; N176-N253 PolarHBondContact ND2-OD1 3.14Å; N253-D317 VanDerWaalsContact CB-OD1 3.23Å; N253-D317 WeakPolarHBondContact CB-OD1 3.49Å; N253-D317 VanDerWaalsContact N-CG 3.33Å; N253-D317 PolarHBondContact N-OD1 3.17Å; N253-D317 PolarHBondContact N-OD2 2.89Å; N253-D317 PolarHBondContact ND2-OD1 3.39Å; N253-G318 WeakPolarHBondContact ND2-CA 3.23Å; N253-G318 PolarHBondContact ND2-N 3.38Å; N253-G318 PolarHBondContact ND2-O 2.9Å; N253-S321 PolarHBondContact ND2-OG 2.88Å; N253-L322 WeakPolarHBondContact OD1-CD1 3.14Å
254E96.5Very high96.5Very high88 Ų8828.9 Ų28.941%0.41114%0.137SC..  trans-88.8-5.4-172.1-68.6-169.2-178.200114.7W256 L306 D317 R347E254-W256 VanDerWaalsContact O-CD1 3.25Å; E254-W256 PolarHBondContact O-N 3.33Å; E254-W256 VanDerWaalsContact O-N 3.08Å; E254-L306 HydrophobicContact CB-CD2 4.04Å; E254-L306 WeakPolarHBondContact OE2-CD2 3.28Å; E254-D317 PolarHBondContact N-OD2 2.86Å; E254-R347 PolarHBondContact O-NH2 3.37Å
255Y96.4Very high96.5Very high4 Ų428.5 Ų28.52%0.01614%0.135CC..  trans-8289.6179.3-75.8-99.5000111.7N170 P252 G259 G260 E261 D264 R303 L306 L307N170-Y255 PolarHBondContact ND2-O 3.09Å; N170-Y255 PolarHBondContact OD1-O 3.45Å; P252-Y255 HydrophobicContact CB-CD2 3.62Å; P252-Y255 HydrophobicContact CB-CE2 3.82Å; P252-Y255 HydrophobicContact CG-CD2 3.54Å; P252-Y255 HydrophobicContact CG-CE2 3.77Å; Y255-G259 WeakPolarHBondContact CD1-O 3.39Å; Y255-G260 WeakPolarHBondContact CE1-O 3.29Å; Y255-G260 PolarHBondContact OH-O 3.2Å; Y255-E261 HydrophobicContact CD1-CB 3.67Å; Y255-E261 HydrophobicContact CD2-CB 3.92Å; Y255-E261 HydrophobicContact CE1-CB 4.31Å; Y255-E261 HydrophobicContact CG-CB 3.43Å; Y255-E261 VanDerWaalsContact CG-CB 3.43Å; Y255-D264 HydrophobicContact CE2-CB 3.86Å; Y255-D264 WeakPolarHBondContact CE2-OD2 3.4Å; Y255-D264 WeakPolarHBondContact OH-CB 3.46Å; Y255-R303 HydrophobicContact CE1-CB 4.5Å; Y255-L306 HydrophobicContact CD1-CD1 3.91Å; Y255-L306 HydrophobicContact CD2-CD1 4.08Å; Y255-L306 HydrophobicContact CE1-CB 3.92Å; Y255-L306 HydrophobicContact CE1-CD1 3.91Å; Y255-L306 HydrophobicContact CE2-CB 3.93Å; Y255-L306 HydrophobicContact CE2-CD1 4.09Å; Y255-L306 HydrophobicContact CG-CD1 4.01Å; Y255-L306 VanDerWaalsContact CZ-CB 3.48Å; Y255-L306 WeakPolarHBondContact OH-CB 3.38Å; Y255-L307 WeakPolarHBondContact OH-CA 3.33Å; Y255-L307 PolarHBondContact OH-N 2.87Å; Y255-L307 VanDerWaalsContact OH-N 3.17Å
256W96.8Very high96.4Very high12 Ų1228.9 Ų28.95%0.04514%0.139CC..  trans-93.1119.8172.3-61.993.6000110.1T168 N170 K173 E254 N300 I342 G343 D345T168-W256 HydrophobicContact CG2-CB 4.02Å; T168-W256 VanDerWaalsContact O-CE3 3.28Å; T168-W256 WeakPolarHBondContact O-CZ3 3.36Å; N170-W256 HydrophobicContact CB-CD2 4.1Å; N170-W256 HydrophobicContact CB-CE3 3.66Å; N170-W256 HydrophobicContact CB-CH2 4.43Å; N170-W256 HydrophobicContact CB-CZ3 3.85Å; K173-W256 HydrophobicContact CD-CZ2 4.34Å; E254-W256 VanDerWaalsContact O-CD1 3.25Å; E254-W256 PolarHBondContact O-N 3.33Å; E254-W256 VanDerWaalsContact O-N 3.08Å; W256-N300 WeakPolarHBondContact O-CB 3.39Å; W256-N300 VanDerWaalsContact O-CG 3.3Å; W256-N300 PolarHBondContact O-ND2 3.07Å; W256-I342 HydrophobicContact CH2-CD1 4.06Å; W256-I342 HydrophobicContact CH2-CG1 3.92Å; W256-I342 WeakPolarHBondContact CH2-O 3.37Å; W256-I342 HydrophobicContact CZ3-CD1 3.93Å; W256-I342 HydrophobicContact CZ3-CG1 4.1Å; W256-G343 WeakPolarHBondContact CH2-O 3.2Å; W256-D345 HydrophobicContact CB-CB 3.76Å; W256-D345 VanDerWaalsContact CB-CG 3.48Å; W256-D345 HydrophobicContact CD2-CB 3.8Å; W256-D345 HydrophobicContact CE3-CB 4.15Å; W256-D345 HydrophobicContact CG-CB 3.62Å
257G94.4Very high96.4Very high7 Ų726 Ų267%0.07213%0.126CC..SBendtrans95.1-168.6-17500000112.3T168 F169 E298T168-G257 VanDerWaalsContact CG2-N 3.26Å; F169-G257 PolarHBondContact O-N 2.87Å; G257-E298 WeakPolarHBondContact CA-O 3.35Å
258W90.8Very high96.4Very high145 Ų14520.2 Ų20.255%0.54910%0.1SC..BIsolated β-bridgetrans-87133-174.5178.986.9000112.6N297 E298 E299 N300W258-N297 PolarHBondContact N-OD1 2.92Å; W258-E298 PolarHBondContact N-O 2.84Å; W258-E299 HydrophobicContact CE3-CB 4.07Å; W258-E299 HydrophobicContact CE3-CG 3.88Å; W258-E299 HydrophobicContact CZ3-CG 4.15Å; W258-E299 WeakPolarHBondContact CZ3-OE1 3.32Å; W258-N300 PolarHBondContact O-N 3.23Å
259G91.2Very high96.4Very high6 Ų620.3 Ų20.36%0.06210%0.101CC..SBendtrans105.9141.7158.700000115.8Y255 R303Y255-G259 WeakPolarHBondContact CD1-O 3.39Å; G259-R303 VanDerWaalsContact O-CB 3.26Å; G259-R303 WeakPolarHBondContact O-CB 3.44Å
260G92Very high96.4Very high8 Ų826.1 Ų26.18%0.08212%0.121CC..SBendtrans88.1-1016900000115.1Y255 D264Y255-G260 WeakPolarHBondContact CE1-O 3.29Å; Y255-G260 PolarHBondContact OH-O 3.2Å; G260-D264 PolarHBondContact O-N 3.14Å; G260-D264 VanDerWaalsContact O-N 3.12Å
261E96.8Very high96.3Very high17 Ų1728.8 Ų28.88%0.07914%0.135CC..Hα-helixtrans-73.2-33.4179.589.7-66.4172.900111.4R171 A172 P252 Y255 D264 I265R171-E261 WeakPolarHBondContact CD-OE1 3.22Å; R171-E261 IonicContact CZ-OE1 3.92Å; R171-E261 IonicContact NE-OE1 2.87Å; R171-E261 IonicContact NH1-OE1 3.64Å; R171-E261 PolarHBondContact NH1-OE1 3.22Å; A172-E261 HydrophobicContact CB-CB 4.21Å; A172-E261 HydrophobicContact CB-CG 3.91Å; P252-E261 HydrophobicContact CG-CB 4.33Å; Y255-E261 HydrophobicContact CD1-CB 3.67Å; Y255-E261 HydrophobicContact CD2-CB 3.92Å; Y255-E261 HydrophobicContact CE1-CB 4.31Å; Y255-E261 HydrophobicContact CG-CB 3.43Å; Y255-E261 VanDerWaalsContact CG-CB 3.43Å; E261-D264 PolarHBondContact O-N 2.78Å; E261-I265 HydrophobicContact CG-CD1 4.48Å; E261-I265 VanDerWaalsContact O-CD1 3.28Å; E261-I265 WeakPolarHBondContact O-CD1 3.46Å; E261-I265 WeakPolarHBondContact O-CG1 3.43Å; E261-I265 PolarHBondContact O-N 3.1Å
262D95.7Very high96.3Very high19 Ų1929.2 Ų29.210%0.10214%0.139CC..Hα-helixtrans-67.5-36.8174.954.4-24.7000112.8G235 I265 A266G235-D262 WeakPolarHBondContact CA-OD2 3.2Å; D262-I265 PolarHBondContact O-N 3.28Å; D262-A266 PolarHBondContact O-N 3.5Å
263D95.8Very high96.3Very high35 Ų3532.4 Ų32.419%0.18717%0.172CC..Hα-helixtrans-70.6-36.1173.1-67.7-38.8000112.6Y230 A266 T267 L307Y230-D263 VanDerWaalsContact CE2-OD1 3.29Å; Y230-D263 WeakPolarHBondContact CE2-OD1 3.17Å; Y230-D263 VanDerWaalsContact OH-CG 3.31Å; Y230-D263 PolarHBondContact OH-OD1 3.01Å; Y230-D263 PolarHBondContact OH-OD2 3.12Å; D263-A266 PolarHBondContact O-N 2.89Å; D263-T267 WeakPolarHBondContact O-CB 3.13Å; D263-T267 PolarHBondContact O-N 2.84Å; D263-T267 PolarHBondContact O-OG1 2.8Å; D263-L307 HydrophobicContact CB-CD1 3.83Å; D263-L307 HydrophobicContact CB-CD2 4.14Å
264D97.8Very high96.2Very high4 Ų433 Ų332%0.02117%0.174CC..Hα-helixtrans-61.7-49.4170.6179-49.7000109.6P252 Y255 G260 E261 A266 T267 R268 L307 T310P252-D264 HydrophobicContact CG-CB 4.24Å; Y255-D264 HydrophobicContact CE2-CB 3.86Å; Y255-D264 WeakPolarHBondContact CE2-OD2 3.4Å; Y255-D264 WeakPolarHBondContact OH-CB 3.46Å; G260-D264 PolarHBondContact O-N 3.14Å; G260-D264 VanDerWaalsContact O-N 3.12Å; E261-D264 PolarHBondContact O-N 2.78Å; D264-A266 VanDerWaalsContact C-N 3.33Å; D264-A266 PolarHBondContact O-N 3.16Å; D264-T267 CarbonylContact O-C 3.55Å; D264-T267 WeakPolarHBondContact O-CA 3.45Å; D264-T267 VanDerWaalsContact O-CB 3.27Å; D264-T267 WeakPolarHBondContact O-CB 3.4Å; D264-T267 PolarHBondContact O-N 3.29Å; D264-R268 WeakPolarHBondContact O-CG 3.43Å; D264-R268 PolarHBondContact O-N 2.81Å; D264-R268 WeakPolarHBondContact OD1-CD 3.26Å; D264-R268 WeakPolarHBondContact OD1-CG 3.49Å; D264-R268 IonicContact OD1-CZ 3.5Å; D264-R268 IonicContact OD1-NE 3.64Å; D264-R268 PolarHBondContact OD1-NE 2.94Å; D264-R268 IonicContact OD1-NH2 2.66Å; D264-L307 HydrophobicContact CB-CD1 4.29Å; D264-T310 HydrophobicContact CB-CG2 4.36Å; D264-T310 WeakPolarHBondContact OD1-CG2 2.94Å; D264-T310 PolarHBondContact OD2-OG1 2.95Å
265I98.1Very high96.3Very high3 Ų337.1 Ų37.12%0.01519%0.191CC..Hα-helixtrans-56.1-47176.5-68.1159.4000110.9F234 M248 F251 E261 D262 T267 R268 V269F234-I265 HydrophobicContact CD1-CB 4.35Å; F234-I265 HydrophobicContact CD1-CG2 3.46Å; F234-I265 VanDerWaalsContact CD1-CG2 3.46Å; F234-I265 HydrophobicContact CE1-CG2 3.62Å; M248-I265 HydrophobicContact CE-CB 4.5Å; M248-I265 HydrophobicContact CE-CG2 3.81Å; F251-I265 HydrophobicContact CB-CD1 4.19Å; F251-I265 HydrophobicContact CB-CG1 4.25Å; F251-I265 HydrophobicContact CD1-CB 4.48Å; F251-I265 HydrophobicContact CD1-CD1 3.87Å; F251-I265 HydrophobicContact CD1-CG1 3.67Å; F251-I265 HydrophobicContact CD1-CG2 3.97Å; F251-I265 HydrophobicContact CD2-CD1 3.47Å; F251-I265 VanDerWaalsContact CD2-CD1 3.47Å; F251-I265 HydrophobicContact CD2-CG1 4.2Å; F251-I265 HydrophobicContact CE1-CB 4.34Å; F251-I265 HydrophobicContact CE1-CD1 4Å; F251-I265 HydrophobicContact CE1-CG1 3.93Å; F251-I265 HydrophobicContact CE1-CG2 3.41Å; F251-I265 VanDerWaalsContact CE1-CG2 3.41Å; F251-I265 HydrophobicContact CE2-CD1 3.56Å; F251-I265 HydrophobicContact CE2-CG1 4.39Å; F251-I265 HydrophobicContact CG-CD1 3.59Å; F251-I265 HydrophobicContact CG-CG1 3.8Å; F251-I265 HydrophobicContact CZ-CD1 3.82Å; F251-I265 HydrophobicContact CZ-CG1 4.25Å; F251-I265 HydrophobicContact CZ-CG2 3.74Å; E261-I265 HydrophobicContact CG-CD1 4.48Å; E261-I265 VanDerWaalsContact O-CD1 3.28Å; E261-I265 WeakPolarHBondContact O-CD1 3.46Å; E261-I265 WeakPolarHBondContact O-CG1 3.43Å; E261-I265 PolarHBondContact O-N 3.1Å; D262-I265 PolarHBondContact O-N 3.28Å; I265-T267 VanDerWaalsContact C-N 3.26Å; I265-T267 PolarHBondContact O-N 3.43Å; I265-R268 WeakPolarHBondContact O-CB 3.19Å; I265-R268 PolarHBondContact O-N 3.21Å; I265-R268 VanDerWaalsContact O-N 3.13Å; I265-V269 WeakPolarHBondContact O-CG2 3.31Å; I265-V269 PolarHBondContact O-N 3.44Å
266A97.6Very high96.3Very high10 Ų1039 Ų398%0.08320%0.201CC..Hα-helixtrans-58.7-39.1175.800000112.2Q232 F234 D262 D263 D264 V269 R270 I276Q232-A266 VanDerWaalsContact O-CB 3.28Å; Q232-A266 WeakPolarHBondContact O-CB 3.46Å; F234-A266 HydrophobicContact CB-CB 3.87Å; D262-A266 PolarHBondContact O-N 3.5Å; D263-A266 PolarHBondContact O-N 2.89Å; D264-A266 VanDerWaalsContact C-N 3.33Å; D264-A266 PolarHBondContact O-N 3.16Å; A266-V269 PolarHBondContact O-N 3.37Å; A266-R270 PolarHBondContact O-N 2.98Å; A266-I276 HydrophobicContact CB-CD1 4.12Å
267T97.7Very high96.4Very high34 Ų3439.4 Ų39.421%0.20921%0.205CC..Hα-helixtrans-64.8-43175-62.10000111.4D263 D264 I265 V269 R270 L271 T310D263-T267 WeakPolarHBondContact O-CB 3.13Å; D263-T267 PolarHBondContact O-N 2.84Å; D263-T267 PolarHBondContact O-OG1 2.8Å; D264-T267 CarbonylContact O-C 3.55Å; D264-T267 WeakPolarHBondContact O-CA 3.45Å; D264-T267 VanDerWaalsContact O-CB 3.27Å; D264-T267 WeakPolarHBondContact O-CB 3.4Å; D264-T267 PolarHBondContact O-N 3.29Å; I265-T267 VanDerWaalsContact C-N 3.26Å; I265-T267 PolarHBondContact O-N 3.43Å; T267-V269 PolarHBondContact O-N 3.29Å; T267-R270 WeakPolarHBondContact O-CB 3.4Å; T267-R270 PolarHBondContact O-N 3.49Å; T267-L271 HydrophobicContact CG2-CD1 3.84Å; T267-L271 HydrophobicContact CG2-CG 4.23Å; T267-L271 VanDerWaalsContact O-CG 3.31Å; T267-L271 WeakPolarHBondContact O-CG 3.28Å; T267-L271 PolarHBondContact O-N 3.24Å; T267-T310 HydrophobicContact CG2-CG2 3.76Å
268R98.1Very high96.5Very high0 Ų043 Ų430%022%0.216CC..Hα-helixtrans-61.8-41.3175.5-66.3-177.9-174.5-133.1-10.4112.8M248 G250 P252 D264 I265 R270 L271 A272 T310 W314 D317M248-R268 HydrophobicContact CB-CB 4.3Å; M248-R268 HydrophobicContact CE-CB 3.49Å; M248-R268 VanDerWaalsContact CE-CB 3.49Å; M248-R268 HydrophobicContact CE-CG 4.33Å; G250-R268 PolarHBondContact O-NH1 2.87Å; P252-R268 VanDerWaalsContact CB-NH2 3.35Å; D264-R268 WeakPolarHBondContact O-CG 3.43Å; D264-R268 PolarHBondContact O-N 2.81Å; D264-R268 WeakPolarHBondContact OD1-CD 3.26Å; D264-R268 WeakPolarHBondContact OD1-CG 3.49Å; D264-R268 IonicContact OD1-CZ 3.5Å; D264-R268 IonicContact OD1-NE 3.64Å; D264-R268 PolarHBondContact OD1-NE 2.94Å; D264-R268 IonicContact OD1-NH2 2.66Å; I265-R268 WeakPolarHBondContact O-CB 3.19Å; I265-R268 PolarHBondContact O-N 3.21Å; I265-R268 VanDerWaalsContact O-N 3.13Å; R268-R270 VanDerWaalsContact C-N 3.25Å; R268-R270 PolarHBondContact O-N 3.46Å; R268-L271 PolarHBondContact O-N 3.1Å; R268-L271 VanDerWaalsContact O-N 3.17Å; R268-A272 VanDerWaalsContact O-CB 3.31Å; R268-A272 WeakPolarHBondContact O-CB 3.45Å; R268-A272 PolarHBondContact O-N 3.26Å; R268-T310 HydrophobicContact CG-CG2 4.24Å; R268-W314 HydrophobicContact CG-CB 3.88Å; R268-W314 PolarHBondContact NH1-O 3.14Å; R268-D317 PolarHBondContact NH1-O 3.38Å; R268-D317 PolarHBondContact NH2-O 2.81Å; R268-D317 IonicContact NH2-OD2 3.57Å
269V98.1Very high96.7Very high2 Ų236.6 Ų36.61%0.01219%0.194CC..Hα-helixtrans-54.4-46.6174.3172.20000110.2P214 M248 I265 A266 T267 M274 I276P214-V269 HydrophobicContact CB-CG1 4.25Å; P214-V269 HydrophobicContact CB-CG2 4.01Å; P214-V269 HydrophobicContact CG-CG1 3.89Å; P214-V269 HydrophobicContact CG-CG2 3.88Å; M248-V269 HydrophobicContact CE-CG2 4.28Å; M248-V269 HydrophobicContact SD-CG2 3.93Å; I265-V269 WeakPolarHBondContact O-CG2 3.31Å; I265-V269 PolarHBondContact O-N 3.44Å; A266-V269 PolarHBondContact O-N 3.37Å; T267-V269 PolarHBondContact O-N 3.29Å; V269-M274 HydrophobicContact CG1-CB 3.83Å; V269-M274 WeakPolarHBondContact O-CA 3.37Å; V269-M274 WeakPolarHBondContact O-CB 3.23Å; V269-M274 PolarHBondContact O-N 2.9Å; V269-I276 HydrophobicContact CB-CG1 4.49Å; V269-I276 HydrophobicContact CG1-CG1 3.94Å
270R97.4Very high96.9Very high144 Ų14438.9 Ų38.954%0.54321%0.208SC..Hα-helixtrans-65.5-44.8176.7-175.7-173.665.684.60.5112.5A266 T267 R268 A272 G273A266-R270 PolarHBondContact O-N 2.98Å; T267-R270 WeakPolarHBondContact O-CB 3.4Å; T267-R270 PolarHBondContact O-N 3.49Å; R268-R270 VanDerWaalsContact C-N 3.25Å; R268-R270 PolarHBondContact O-N 3.46Å; R270-A272 VanDerWaalsContact C-N 3.29Å; R270-A272 PolarHBondContact O-N 3.21Å; R270-G273 PolarHBondContact O-N 2.89Å
271L97.3Very high96.9Very high56 Ų5642 Ų4229%0.29323%0.225SC..Hα-helixtrans-65.1-32.8-179.6-69.6172.5000112.4T267 R268 G273 W314T267-L271 HydrophobicContact CG2-CD1 3.84Å; T267-L271 HydrophobicContact CG2-CG 4.23Å; T267-L271 VanDerWaalsContact O-CG 3.31Å; T267-L271 WeakPolarHBondContact O-CG 3.28Å; T267-L271 PolarHBondContact O-N 3.24Å; R268-L271 PolarHBondContact O-N 3.1Å; R268-L271 VanDerWaalsContact O-N 3.17Å; L271-G273 PolarHBondContact O-N 3.49Å; L271-W314 HydrophobicContact CB-CZ2 4.25Å; L271-W314 HydrophobicContact CD1-CG 4.09Å
272A97.4Very high96.7Very high11 Ų1142.4 Ų42.49%0.09123%0.23CC..THydrogen-bonded Turntrans-75.86.1172.100000113.6K247 M248 R268 R270 M274K247-A272 WeakPolarHBondContact CE-O 3.48Å; K247-A272 HydrophobicContact CG-CB 4.36Å; K247-A272 PolarHBondContact NZ-O 3.05Å; K247-A272 VanDerWaalsContact NZ-O 3.13Å; M248-A272 HydrophobicContact CB-CB 4.04Å; R268-A272 VanDerWaalsContact O-CB 3.31Å; R268-A272 WeakPolarHBondContact O-CB 3.45Å; R268-A272 PolarHBondContact O-N 3.26Å; R270-A272 VanDerWaalsContact C-N 3.29Å; R270-A272 PolarHBondContact O-N 3.21Å; A272-M274 VanDerWaalsContact C-N 3.3Å; A272-M274 HydrophobicContact CB-CE 3.75Å; A272-M274 PolarHBondContact O-N 3Å
273G97.5Very high96.8Very high66 Ų6641.9 Ų41.968%0.6823%0.228SC*.THydrogen-bonded Turntrans7121.9178.800000114R270 L271R270-G273 PolarHBondContact O-N 2.89Å; L271-G273 PolarHBondContact O-N 3.49Å
274M98Very high96.8Very high21 Ų2140.2 Ų40.210%0.10322%0.219CC..  trans-103.5163.7178.7-60.2-174.8-71.700111.1P214 Q244 K247 M248 V269 A272P214-M274 HydrophobicContact CG-CB 4.49Å; P214-M274 HydrophobicContact CG-CE 3.9Å; P214-M274 HydrophobicContact CG-SD 4.01Å; Q244-M274 HydrophobicContact CB-CE 4.44Å; Q244-M274 HydrophobicContact CB-SD 3.93Å; Q244-M274 HydrophobicContact CG-SD 3.83Å; Q244-M274 WeakPolarHBondContact O-CE 3.23Å; K247-M274 HydrophobicContact CD-CG 4.4Å; K247-M274 HydrophobicContact CD-SD 4.13Å; M248-M274 HydrophobicContact CB-CE 4.09Å; M248-M274 HydrophobicContact CG-CE 4.44Å; M248-M274 HydrophobicContact SD-CE 4.41Å; V269-M274 HydrophobicContact CG1-CB 3.83Å; V269-M274 WeakPolarHBondContact O-CA 3.37Å; V269-M274 WeakPolarHBondContact O-CB 3.23Å; V269-M274 PolarHBondContact O-N 2.9Å; A272-M274 VanDerWaalsContact C-N 3.3Å; A272-M274 HydrophobicContact CB-CE 3.75Å; A272-M274 PolarHBondContact O-N 3Å
275K97Very high96.8Very high176 Ų17641.4 Ų41.477%0.76522%0.224SC*.  trans-120.6141.2175.7-67.6-178.9-179.2177.50109.9S277K275-S277 PolarHBondContact O-N 3.34Å
276I97.8Very high96.8Very high44 Ų4441.3 Ų41.323%0.22622%0.223CC..  trans-70.2121.6175.1-64.5167.2000108.8P214 H216 F234 A266 V269 R278P214-I276 CarbonylContact O-C 3.52Å; P214-I276 VanDerWaalsContact O-CA 3.31Å; P214-I276 WeakPolarHBondContact O-CA 3.09Å; H216-I276 HydrophobicContact CB-CG2 3.83Å; F234-I276 HydrophobicContact CB-CD1 4.38Å; F234-I276 HydrophobicContact CD2-CB 4.46Å; F234-I276 HydrophobicContact CD2-CD1 3.64Å; F234-I276 HydrophobicContact CD2-CG1 3.81Å; F234-I276 HydrophobicContact CD2-CG2 3.81Å; F234-I276 HydrophobicContact CE2-CB 4.44Å; F234-I276 HydrophobicContact CE2-CD1 4.28Å; F234-I276 HydrophobicContact CE2-CG1 3.92Å; F234-I276 HydrophobicContact CE2-CG2 3.82Å; F234-I276 HydrophobicContact CG-CD1 4.24Å; A266-I276 HydrophobicContact CB-CD1 4.12Å; V269-I276 HydrophobicContact CB-CG1 4.49Å; V269-I276 HydrophobicContact CG1-CG1 3.94Å; I276-R278 HydrophobicContact CG2-CG 4.16Å
277S97.1Very high96.8Very high19 Ų1943.5 Ų43.513%0.13323%0.231CC..BIsolated β-bridgetrans-92.1147.6169.768.80000110.2D210 G213 P214 R215 H216 K275D210-S277 WeakPolarHBondContact CB-OG 3.43Å; G213-S277 PolarHBondContact O-OG 3.48Å; G213-S277 VanDerWaalsContact O-OG 3.13Å; P214-S277 PolarHBondContact O-N 3.05Å; P214-S277 PolarHBondContact O-OG 3.12Å; R215-S277 CarbonylContact C-O 3.55Å; R215-S277 WeakPolarHBondContact CA-O 3.36Å; R215-S277 VanDerWaalsContact CA-OG 3.27Å; R215-S277 WeakPolarHBondContact CA-OG 3.33Å; R215-S277 WeakPolarHBondContact CB-OG 3.41Å; H216-S277 PolarHBondContact N-O 3.37Å; K275-S277 PolarHBondContact O-N 3.34Å
278R96.9Very high96.7Very high82 Ų8243.4 Ų43.431%0.30923%0.228SC..  trans-139.6140.2-178.7-75.4-173.3-177.5109.3-4.1110.2H216 V219 P231 Y233 I276H216-R278 HydrophobicContact CB-CG 4.03Å; H216-R278 PolarHBondContact ND1-NE 3.08Å; V219-R278 HydrophobicContact CG1-CB 3.86Å; V219-R278 HydrophobicContact CG1-CG 3.75Å; P231-R278 VanDerWaalsContact O-CZ 3.27Å; P231-R278 PolarHBondContact O-NH1 3.26Å; P231-R278 PolarHBondContact O-NH2 3.36Å; Y233-R278 PolarHBondContact O-NH2 2.79Å; I276-R278 HydrophobicContact CG2-CG 4.16Å
279P95.6Very high96.5Very high12 Ų1243.6 Ų43.68%0.07823%0.23CC..  trans-66.1162.4165.431.3-34.4000110.1H216 V219 V283H216-P279 WeakPolarHBondContact O-CD 3.32Å; V219-P279 HydrophobicContact CG1-CG 4.18Å; V219-P279 HydrophobicContact CG2-CG 4.34Å; P279-V283 HydrophobicContact CB-CB 4.43Å; P279-V283 HydrophobicContact CB-CG1 4.35Å
280P94.5Very high96Very high54 Ų5452.2 Ų52.235%0.35127%0.267SS..  trans-52.5146.1167.3-24.534.4000111.2S282 V283 G284P280-S282 PolarHBondContact O-N 2.85Å; P280-V283 PolarHBondContact O-N 3.38Å; P280-G284 PolarHBondContact O-N 3.16Å
281T92.6Very high95.3Very high73 Ų7349 Ų4945%0.44826%0.258SS..THydrogen-bonded Turntrans-56.9-36177.548.30000111.5V283 H285T281-V283 PolarHBondContact O-N 3.47Å; T281-V283 VanDerWaalsContact O-N 3.1Å; T281-H285 PolarHBondContact O-CD2 3.24Å; T281-H285 PolarHBondContact O-NE2 2.79Å; T281-H285 VanDerWaalsContact O-NE2 3.12Å
282S93.6Very high94.5Very high25 Ų2557.1 Ų57.118%0.17529%0.285CS..THydrogen-bonded Turntrans-62.1-14.2175.663.10000115.1P44 F46 Y48 P280P44-S282 WeakPolarHBondContact O-CB 3.32Å; P44-S282 PolarHBondContact O-OG 3.38Å; F46-S282 WeakPolarHBondContact CD2-O 3.42Å; Y48-S282 WeakPolarHBondContact CE2-O 3.42Å; Y48-S282 PolarHBondContact OH-O 3.45Å; P280-S282 PolarHBondContact O-N 2.85Å
283V96.3Very high93.4Very high9 Ų960.5 Ų60.56%0.05532%0.32CS..THydrogen-bonded Turntrans-109.8-43.9-179.5172.80000111.3P44 F46 H204 N205 P279 P280 T281 H285P44-V283 HydrophobicContact CG-CG2 4.26Å; F46-V283 HydrophobicContact CD2-CG2 4.19Å; F46-V283 HydrophobicContact CE2-CG2 3.53Å; F46-V283 HydrophobicContact CZ-CG2 4.41Å; H204-V283 VanDerWaalsContact C-CG1 3.45Å; H204-V283 HydrophobicContact CB-CG1 4.08Å; H204-V283 HydrophobicContact CB-CG2 4.48Å; N205-V283 HydrophobicContact CB-CG1 3.74Å; N205-V283 VanDerWaalsContact N-CG1 3.33Å; P279-V283 HydrophobicContact CB-CB 4.43Å; P279-V283 HydrophobicContact CB-CG1 4.35Å; P280-V283 PolarHBondContact O-N 3.38Å; T281-V283 PolarHBondContact O-N 3.47Å; T281-V283 VanDerWaalsContact O-N 3.1Å; V283-H285 PolarHBondContact O-N 3.21Å
284G96.8Very high92.5Very high0 Ų059.9 Ų59.90%030%0.302CS..  trans-82.643-170.900000115.1N205 V219 A220 P280N205-G284 WeakPolarHBondContact ND2-CA 3.41Å; V219-G284 PolarHBondContact N-O 3.09Å; A220-G284 PolarHBondContact N-O 3.48Å; P280-G284 PolarHBondContact O-N 3.16Å
285H97.3Very high91.7Very high29 Ų2968.3 Ų68.313%0.13434%0.338CS..EExtended strand (participates in β ladder)trans-75.2134.7174.9-77-122.9000111.3Y48 E201 A220 Y226 T281 V283Y48-H285 HydrophobicContact CE1-CB 3.93Å; Y48-H285 AromaticContact CE1-CG 3.84Å; Y48-H285 AromaticContact CE2-CD2 3.92Å; Y48-H285 AromaticContact CE2-CE1 3.96Å; Y48-H285 AromaticContact CE2-NE2 3.78Å; Y48-H285 AromaticContact CZ-CD2 3.57Å; Y48-H285 AromaticContact CZ-CG 3.6Å; Y48-H285 AromaticContact CZ-ND1 3.93Å; Y48-H285 AromaticContact CZ-NE2 3.93Å; Y48-H285 PolarHBondContact OH-CD2 3.45Å; Y48-H285 VanDerWaalsContact OH-CD2 3.28Å; E201-H285 HydrophobicContact CB-CB 3.83Å; E201-H285 PolarHBondContact N-O 3.42Å; A220-H285 CarbonylContact O-C 3.57Å; A220-H285 VanDerWaalsContact O-CA 3.28Å; A220-H285 WeakPolarHBondContact O-CA 3.45Å; Y226-H285 HydrophobicContact CD1-CB 4.44Å; Y226-H285 AromaticContact CD1-CE1 3.79Å; Y226-H285 AromaticContact CD1-CG 3.97Å; Y226-H285 AromaticContact CD1-ND1 3.21Å; Y226-H285 WeakPolarHBondContact CD1-ND1 3.28Å; Y226-H285 HydrophobicContact CE1-CB 4.28Å; Y226-H285 AromaticContact CE1-ND1 3.45Å; Y226-H285 WeakPolarHBondContact CE1-ND1 3.46Å; Y226-H285 AromaticContact CG-ND1 3.98Å; T281-H285 PolarHBondContact O-CD2 3.24Å; T281-H285 PolarHBondContact O-NE2 2.79Å; T281-H285 VanDerWaalsContact O-NE2 3.12Å; V283-H285 PolarHBondContact O-N 3.21Å
286Y98Very high90.9Very high0 Ų060.4 Ų60.40%031%0.306CS..EExtended strand (participates in β ladder)trans-135.7145.6172.5-81.8-104.3000111.1L198 L199 P200 N205 Y207 V217 A218 A220 M221 N222 V237L198-Y286 HydrophobicContact CB-CD1 3.86Å; L198-Y286 HydrophobicContact CB-CE1 4.48Å; L199-Y286 VanDerWaalsContact C-CD1 3.5Å; L199-Y286 CarbonylContact O-C 3.59Å; L199-Y286 WeakPolarHBondContact O-CA 3.3Å; P200-Y286 HydrophobicContact CB-CD1 4.14Å; P200-Y286 HydrophobicContact CB-CE1 3.66Å; P200-Y286 HydrophobicContact CB-CE2 4.28Å; P200-Y286 HydrophobicContact CG-CE1 4.22Å; N205-Y286 VanDerWaalsContact ND2-CE2 3.25Å; N205-Y286 WeakPolarHBondContact ND2-CE2 3.43Å; Y207-Y286 PolarHBondContact OH-OH 2.7Å; V217-Y286 HydrophobicContact CB-CE2 4.45Å; V217-Y286 HydrophobicContact CG2-CE2 4.24Å; V217-Y286 WeakPolarHBondContact CG2-OH 3.49Å; V217-Y286 VanDerWaalsContact O-CE2 3.31Å; V217-Y286 WeakPolarHBondContact O-CE2 3.49Å; A218-Y286 VanDerWaalsContact CA-CD2 3.49Å; A218-Y286 HydrophobicContact CB-CD2 3.82Å; A218-Y286 HydrophobicContact CB-CE2 4.05Å; A218-Y286 HydrophobicContact CB-CG 4.12Å; A220-Y286 PolarHBondContact O-N 3.29Å; M221-Y286 WeakPolarHBondContact CA-O 3.46Å; N222-Y286 PolarHBondContact N-O 3.3Å; V237-Y286 HydrophobicContact CB-CE1 4.37Å; V237-Y286 HydrophobicContact CG2-CD1 4.36Å; V237-Y286 HydrophobicContact CG2-CE1 3.82Å
287K97.5Very high90.5Very high56 Ų5660 Ų6024%0.24330%0.304CS..EExtended strand (participates in β ladder)trans-108.9121172-145.9179-176.9165.90110.2V90 F92 L199 E201 N222V90-K287 HydrophobicContact CB-CB 4.22Å; V90-K287 HydrophobicContact CB-CD 3.7Å; V90-K287 HydrophobicContact CG1-CB 4.02Å; V90-K287 HydrophobicContact CG1-CD 3.75Å; V90-K287 HydrophobicContact CG1-CG 4.48Å; V90-K287 HydrophobicContact CG2-CB 4.36Å; V90-K287 PolarHBondContact O-NZ 2.91Å; F92-K287 HydrophobicContact CE1-CD 4.36Å; F92-K287 HydrophobicContact CE2-CD 4.12Å; F92-K287 HydrophobicContact CE2-CG 4.4Å; F92-K287 HydrophobicContact CZ-CB 4.24Å; F92-K287 HydrophobicContact CZ-CD 3.64Å; F92-K287 HydrophobicContact CZ-CG 3.72Å; L199-K287 PolarHBondContact N-O 3.5Å; L199-K287 PolarHBondContact O-N 3.42Å; E201-K287 HydrophobicContact CG-CB 4.11Å; N222-K287 HydrophobicContact CB-CG 4.23Å; N222-K287 WeakPolarHBondContact ND2-CG 3.35Å
288M96.2Very high90.1Very high32 Ų3264.1 Ų64.116%0.15832%0.322CS..EExtended strand (participates in β ladder)trans-80.4127.3172.6-168.3-167.3-173.600110.3F92 D197 L198 N222 K223 K290 H291F92-M288 WeakPolarHBondContact CZ-O 3.2Å; D197-M288 CarbonylContact O-C 3.5Å; D197-M288 VanDerWaalsContact O-CA 3.29Å; D197-M288 WeakPolarHBondContact O-CA 3.32Å; D197-M288 WeakPolarHBondContact OD2-CE 3.48Å; L198-M288 HydrophobicContact CD2-CB 3.81Å; L198-M288 HydrophobicContact CD2-CG 4.07Å; N222-M288 WeakPolarHBondContact OD1-CB 3.43Å; N222-M288 PolarHBondContact OD1-N 2.82Å; K223-M288 HydrophobicContact CB-SD 4.2Å; K223-M288 HydrophobicContact CD-CB 4.34Å; K223-M288 HydrophobicContact CD-CE 4.43Å; K223-M288 HydrophobicContact CD-CG 4.33Å; K223-M288 HydrophobicContact CD-SD 3.22Å; K223-M288 WeakPolarHBondContact CD-SD 3.18Å; K223-M288 HydrophobicContact CG-SD 4.32Å; M288-K290 PolarHBondContact O-N 3.24Å; M288-H291 VanDerWaalsContact CE-NE2 3.28Å; M288-H291 WeakPolarHBondContact CE-NE2 3.19Å
289V93.7Very high89.8Confident4 Ų465.3 Ų65.32%0.02433%0.331CS..PPolyproline II helixtrans-69.5119.6167-174.80000107.6F92 H137 L140 D197 L199F92-V289 HydrophobicContact CD1-CB 4.41Å; F92-V289 HydrophobicContact CD1-CG1 4.36Å; F92-V289 HydrophobicContact CD1-CG2 3.8Å; F92-V289 HydrophobicContact CE1-CB 4.19Å; F92-V289 HydrophobicContact CE1-CG2 3.55Å; F92-V289 HydrophobicContact CZ-CG2 4.38Å; H137-V289 VanDerWaalsContact CD2-CG1 3.46Å; H137-V289 WeakPolarHBondContact CD2-CG1 3.28Å; H137-V289 WeakPolarHBondContact NE2-CG1 3.45Å; L140-V289 HydrophobicContact CD1-CG1 3.91Å; L140-V289 HydrophobicContact CD1-CG2 4Å; D197-V289 HydrophobicContact CB-CB 4.24Å; D197-V289 PolarHBondContact O-N 3.29Å; L199-V289 HydrophobicContact CD1-CG2 4.11Å; L199-V289 HydrophobicContact CG-CG2 4.31Å
290K88.7Confident89.5Confident183 Ų18365 Ų6580%0.79633%0.328SS*.PPolyproline II helixtrans-68.1139.4-175.9-67.9-175.7179-178.50111.2M288M288-K290 PolarHBondContact O-N 3.24Å
291H82.6Confident89.1Confident78 Ų7867.1 Ų67.136%0.36134%0.342SS..  trans-145.5161173.664.784.2000111.4R134 D197 M288R134-H291 VanDerWaalsContact CZ-CG 3.49Å; R134-H291 PolarHBondContact NH1-CD2 3.09Å; R134-H291 PolarHBondContact NH2-CE1 3.09Å; R134-H291 PolarHBondContact NH2-ND1 3.47Å; D197-H291 IonicContact OD2-CD2 2.86Å; D197-H291 PolarHBondContact OD2-CD2 2.56Å; D197-H291 IonicContact OD2-NE2 2.81Å; D197-H291 PolarHBondContact OD2-NE2 3.34Å; M288-H291 VanDerWaalsContact CE-NE2 3.28Å; M288-H291 WeakPolarHBondContact CE-NE2 3.19Å
292R78.8Confident88.9Confident226 Ų22666.8 Ų66.885%0.85334%0.335SS*.PPolyproline II helixtrans-83.3168.2169.7-62.9-176-179.7-168.7-0.4109.3D294R292-D294 PolarHBondContact O-N 2.88Å
293G74.4Confident88.6Confident81 Ų8167.5 Ų67.584%0.83533%0.334SS*.PPolyproline II helixtrans-55.2133.6171.300000110.6
294D78.3Confident88.1Confident54 Ų5473 Ų7329%0.28936%0.358SS..PPolyproline II helixtrans-88.8138.9179.6-59.8-37.2000110.6R134 R292 G296 N297R134-D294 IonicContact CZ-OD1 2.64Å; R134-D294 IonicContact CZ-OD2 3.12Å; R134-D294 VanDerWaalsContact CZ-OD2 3.25Å; R134-D294 IonicContact NE-OD1 3.61Å; R134-D294 PolarHBondContact NE-OD1 2.99Å; R134-D294 IonicContact NE-OD2 3.17Å; R134-D294 PolarHBondContact NE-OD2 2.75Å; R134-D294 VanDerWaalsContact NE-OD2 3.14Å; R134-D294 IonicContact NH2-OD1 2.66Å; R134-D294 PolarHBondContact NH2-OD1 2.81Å; R134-D294 IonicContact NH2-OD2 3.72Å; R134-D294 PolarHBondContact NH2-OD2 2.65Å; R292-D294 PolarHBondContact O-N 2.88Å; D294-G296 PolarHBondContact O-N 2.93Å; D294-N297 HydrophobicContact CB-CB 4.01Å; D294-N297 PolarHBondContact O-N 3.49Å
295K81.8Confident87.7Confident197 Ų19777.1 Ų77.186%0.85738%0.38SS*.THydrogen-bonded Turntrans-60.7131.4167.8-175179179.6179.50109.8N297 E298K295-N297 VanDerWaalsContact C-N 3.27Å; K295-E298 WeakPolarHBondContact CA-OE1 3.34Å
296G81.4Confident87.3Confident10 Ų1076.2 Ų76.210%0.10338%0.376CS..THydrogen-bonded Turntrans77.310.5-175.300000113.6R132 T168 F169 D294 E298R132-G296 PolarHBondContact NH2-O 2.91Å; R132-G296 VanDerWaalsContact NH2-O 3.15Å; T168-G296 CarbonylContact C-O 3.6Å; T168-G296 WeakPolarHBondContact CA-O 3.37Å; F169-G296 WeakPolarHBondContact CB-O 3.24Å; F169-G296 PolarHBondContact N-O 3.32Å; D294-G296 PolarHBondContact O-N 2.93Å; G296-E298 VanDerWaalsContact C-OE2 3.26Å; G296-E298 WeakPolarHBondContact CA-OE2 3.28Å; G296-E298 VanDerWaalsContact N-CD 3.27Å; G296-E298 PolarHBondContact N-OE1 2.98Å; G296-E298 PolarHBondContact N-OE2 3.01Å
297N88.3Confident86.9Confident36 Ų3678.4 Ų78.419%0.19339%0.387CS..  trans-130.137.3166.8-165.733.7000109.9F169 W258 D294 K295F169-N297 HydrophobicContact CB-CB 4.13Å; W258-N297 PolarHBondContact N-OD1 2.92Å; D294-N297 HydrophobicContact CB-CB 4.01Å; D294-N297 PolarHBondContact O-N 3.49Å; K295-N297 VanDerWaalsContact C-N 3.27Å
298E89.9Confident86.6Confident106 Ų10681.4 Ų81.450%0.49541%0.41SS..  trans-61.6156.6174.7-62.378.5-172.700110.3G257 W258 K295 G296 N300G257-E298 WeakPolarHBondContact CA-O 3.35Å; W258-E298 PolarHBondContact N-O 2.84Å; K295-E298 WeakPolarHBondContact CA-OE1 3.34Å; G296-E298 VanDerWaalsContact C-OE2 3.26Å; G296-E298 WeakPolarHBondContact CA-OE2 3.28Å; G296-E298 VanDerWaalsContact N-CD 3.27Å; G296-E298 PolarHBondContact N-OE1 2.98Å; G296-E298 PolarHBondContact N-OE2 3.01Å; E298-N300 PolarHBondContact O-N 3.25Å
299E89.3Confident86.3Confident106 Ų10687.1 Ų87.150%0.49543%0.43SS..BIsolated β-bridgetrans-56.5127177.1178.3178.2-96.800110.5W258 P301 R303W258-E299 HydrophobicContact CE3-CB 4.07Å; W258-E299 HydrophobicContact CE3-CG 3.88Å; W258-E299 HydrophobicContact CZ3-CG 4.15Å; W258-E299 WeakPolarHBondContact CZ3-OE1 3.32Å; E299-P301 VanDerWaalsContact O-CD 3.28Å; E299-P301 WeakPolarHBondContact O-CD 3.49Å; E299-R303 IonicContact OE1-CZ 3.58Å; E299-R303 IonicContact OE1-NH1 3.13Å; E299-R303 IonicContact OE1-NH2 3.24Å; E299-R303 PolarHBondContact OE1-NH2 2.88Å; E299-R303 IonicContact OE2-CZ 3.52Å; E299-R303 IonicContact OE2-NH1 2.75Å; E299-R303 PolarHBondContact OE2-NH1 3.08Å; E299-R303 IonicContact OE2-NH2 3.48Å; E299-R303 PolarHBondContact OE2-NH2 2.89Å
300N88.9Confident86.2Confident5 Ų586.9 Ų86.93%0.02743%0.429CS..  trans-71.4115.6179.1-179.9-6.9000109.6W256 W258 E298 H302 R303W256-N300 WeakPolarHBondContact O-CB 3.39Å; W256-N300 VanDerWaalsContact O-CG 3.3Å; W256-N300 PolarHBondContact O-ND2 3.07Å; W258-N300 PolarHBondContact O-N 3.23Å; E298-N300 PolarHBondContact O-N 3.25Å; N300-H302 PolarHBondContact O-N 3Å; N300-H302 WeakPolarHBondContact OD1-CA 3.39Å; N300-H302 WeakPolarHBondContact OD1-CB 3.25Å; N300-H302 PolarHBondContact OD1-N 3.39Å; N300-R303 HydrophobicContact CB-CB 4.25Å; N300-R303 WeakPolarHBondContact O-CG 3.32Å; N300-R303 PolarHBondContact O-N 3.17Å; N300-R303 PolarHBondContact O-NH1 3.45Å
301P86.9Confident86.3Confident99 Ų9984 Ų8464%0.64342%0.418SS*.THydrogen-bonded Turntrans-68.7-19.7-179.528.7-34.5000112.6E299E299-P301 VanDerWaalsContact O-CD 3.28Å; E299-P301 WeakPolarHBondContact O-CD 3.49Å
302H87.8Confident86.7Confident66 Ų6686.3 Ų86.331%0.30643%0.433SS..THydrogen-bonded Turntrans-98.36.9-178-57-61.9000113.5N300 F304 D305 L306N300-H302 PolarHBondContact O-N 3Å; N300-H302 WeakPolarHBondContact OD1-CA 3.39Å; N300-H302 WeakPolarHBondContact OD1-CB 3.25Å; N300-H302 PolarHBondContact OD1-N 3.39Å; H302-F304 VanDerWaalsContact C-N 3.27Å; H302-F304 PolarHBondContact O-N 2.95Å; H302-D305 IonicContact ND1-OD2 2.78Å; H302-D305 PolarHBondContact O-N 3.14Å; H302-D305 VanDerWaalsContact O-N 3.15Å; H302-L306 WeakPolarHBondContact O-CG 3.47Å; H302-L306 PolarHBondContact O-N 3.08Å
303R87.1Confident87.3Confident41 Ų4177.1 Ų77.116%0.15540%0.403CS..Hα-helixtrans-56.6-38.4-174.866-173.1179.2-85.311.2113.7Y255 G259 E299 N300 L307Y255-R303 HydrophobicContact CE1-CB 4.5Å; G259-R303 VanDerWaalsContact O-CB 3.26Å; G259-R303 WeakPolarHBondContact O-CB 3.44Å; E299-R303 IonicContact OE1-CZ 3.58Å; E299-R303 IonicContact OE1-NH1 3.13Å; E299-R303 IonicContact OE1-NH2 3.24Å; E299-R303 PolarHBondContact OE1-NH2 2.88Å; E299-R303 IonicContact OE2-CZ 3.52Å; E299-R303 IonicContact OE2-NH1 2.75Å; E299-R303 PolarHBondContact OE2-NH1 3.08Å; E299-R303 IonicContact OE2-NH2 3.48Å; E299-R303 PolarHBondContact OE2-NH2 2.89Å; N300-R303 HydrophobicContact CB-CB 4.25Å; N300-R303 WeakPolarHBondContact O-CG 3.32Å; N300-R303 PolarHBondContact O-N 3.17Å; N300-R303 PolarHBondContact O-NH1 3.45Å; R303-L307 WeakPolarHBondContact O-CB 3.06Å; R303-L307 PolarHBondContact O-N 3.13Å
304F87.1Confident88.3Confident124 Ų12475.4 Ų75.454%0.54437%0.371SS..Hα-helixtrans-75.2-37.1179.2-64.6-65000112H302 L306 L307 V308H302-F304 VanDerWaalsContact C-N 3.27Å; H302-F304 PolarHBondContact O-N 2.95Å; F304-L306 VanDerWaalsContact C-N 3.32Å; F304-L306 PolarHBondContact O-N 3.31Å; F304-L307 PolarHBondContact O-N 2.88Å; F304-V308 WeakPolarHBondContact O-CG2 3.33Å; F304-V308 PolarHBondContact O-N 3.45Å
305D88.6Confident89.1Confident87 Ų8776.2 Ų76.247%0.46538%0.379SS..Hα-helixtrans-62.4-41.8174.9-64.1-27.1000111.3H302 R309H302-D305 IonicContact ND1-OD2 2.78Å; H302-D305 PolarHBondContact O-N 3.14Å; H302-D305 VanDerWaalsContact O-N 3.15Å; D305-R309 WeakPolarHBondContact O-CD 3.45Å; D305-R309 VanDerWaalsContact O-CG 3.26Å; D305-R309 WeakPolarHBondContact O-CG 3.34Å; D305-R309 PolarHBondContact O-N 2.96Å
306L89.3Confident89.9Confident9 Ų973.5 Ų73.55%0.04737%0.369CS..Hα-helixtrans-62.5-48.7173.4-72.1173.1000110.8E254 Y255 H302 F304 V308 R309 T310 R347E254-L306 HydrophobicContact CB-CD2 4.04Å; E254-L306 WeakPolarHBondContact OE2-CD2 3.28Å; Y255-L306 HydrophobicContact CD1-CD1 3.91Å; Y255-L306 HydrophobicContact CD2-CD1 4.08Å; Y255-L306 HydrophobicContact CE1-CB 3.92Å; Y255-L306 HydrophobicContact CE1-CD1 3.91Å; Y255-L306 HydrophobicContact CE2-CB 3.93Å; Y255-L306 HydrophobicContact CE2-CD1 4.09Å; Y255-L306 HydrophobicContact CG-CD1 4.01Å; Y255-L306 VanDerWaalsContact CZ-CB 3.48Å; Y255-L306 WeakPolarHBondContact OH-CB 3.38Å; H302-L306 WeakPolarHBondContact O-CG 3.47Å; H302-L306 PolarHBondContact O-N 3.08Å; F304-L306 VanDerWaalsContact C-N 3.32Å; F304-L306 PolarHBondContact O-N 3.31Å; L306-V308 VanDerWaalsContact C-N 3.32Å; L306-V308 PolarHBondContact O-N 3.31Å; L306-R309 WeakPolarHBondContact O-CA 3.32Å; L306-R309 WeakPolarHBondContact O-CB 3.44Å; L306-R309 PolarHBondContact O-N 2.64Å; L306-T310 PolarHBondContact O-N 3.13Å; L306-R347 VanDerWaalsContact CD2-NH1 3.35Å
307L89.3Confident90.6Very high47 Ų4773.6 Ų73.625%0.24637%0.367CS..Hα-helixtrans-60.1-41.4-177.1-175.261.4000112.2Y255 D263 D264 R303 F304 R309 T310Y255-L307 WeakPolarHBondContact OH-CA 3.33Å; Y255-L307 PolarHBondContact OH-N 2.87Å; Y255-L307 VanDerWaalsContact OH-N 3.17Å; D263-L307 HydrophobicContact CB-CD1 3.83Å; D263-L307 HydrophobicContact CB-CD2 4.14Å; D264-L307 HydrophobicContact CB-CD1 4.29Å; R303-L307 WeakPolarHBondContact O-CB 3.06Å; R303-L307 PolarHBondContact O-N 3.13Å; F304-L307 PolarHBondContact O-N 2.88Å; L307-R309 PolarHBondContact O-N 3.2Å; L307-T310 WeakPolarHBondContact CA-OG1 3.43Å; L307-T310 WeakPolarHBondContact O-CB 3.45Å; L307-T310 PolarHBondContact O-N 3.1Å; L307-T310 PolarHBondContact O-OG1 3.23Å
308V89.6Confident91.1Very high119 Ų11971.9 Ų71.972%0.72136%0.358SS*.Hα-helixtrans-61.4-34.4175.61700000111.7F304 L306F304-V308 WeakPolarHBondContact O-CG2 3.33Å; F304-V308 PolarHBondContact O-N 3.45Å; L306-V308 VanDerWaalsContact C-N 3.32Å; L306-V308 PolarHBondContact O-N 3.31Å
309R91.1Very high91.5Very high151 Ų15167.6 Ų67.657%0.5734%0.338SS*.Hα-helixtrans-79.4-18.1-178.1-68.1170.6-171.4-162.82.5113.8D305 L306 L307 Q311 N312 S313D305-R309 WeakPolarHBondContact O-CD 3.45Å; D305-R309 VanDerWaalsContact O-CG 3.26Å; D305-R309 WeakPolarHBondContact O-CG 3.34Å; D305-R309 PolarHBondContact O-N 2.96Å; L306-R309 WeakPolarHBondContact O-CA 3.32Å; L306-R309 WeakPolarHBondContact O-CB 3.44Å; L306-R309 PolarHBondContact O-N 2.64Å; L307-R309 PolarHBondContact O-N 3.2Å; R309-Q311 PolarHBondContact O-N 2.99Å; R309-N312 PolarHBondContact O-N 3.06Å; R309-S313 PolarHBondContact O-N 2.99Å; R309-S313 PolarHBondContact O-OG 3.2Å; R309-S313 VanDerWaalsContact O-OG 3.11Å
310T91.3Very high91.9Very high0 Ų067.4 Ų67.40%034%0.341CS..Hα-helixtrans-43.4-45.1-176.2-48.50000113.2D264 T267 R268 L306 L307 N312 S313 W314D264-T310 HydrophobicContact CB-CG2 4.36Å; D264-T310 WeakPolarHBondContact OD1-CG2 2.94Å; D264-T310 PolarHBondContact OD2-OG1 2.95Å; T267-T310 HydrophobicContact CG2-CG2 3.76Å; R268-T310 HydrophobicContact CG-CG2 4.24Å; L306-T310 PolarHBondContact O-N 3.13Å; L307-T310 WeakPolarHBondContact CA-OG1 3.43Å; L307-T310 WeakPolarHBondContact O-CB 3.45Å; L307-T310 PolarHBondContact O-N 3.1Å; L307-T310 PolarHBondContact O-OG1 3.23Å; T310-N312 PolarHBondContact O-N 2.71Å; T310-N312 VanDerWaalsContact O-N 3.13Å; T310-S313 PolarHBondContact O-N 3.18Å; T310-W314 HydrophobicContact CG2-CB 4.36Å; T310-W314 WeakPolarHBondContact O-CB 3.35Å; T310-W314 VanDerWaalsContact O-CD1 3.27Å; T310-W314 PolarHBondContact O-N 2.85Å; T310-W314 VanDerWaalsContact O-N 3.08Å
311Q90.6Very high92.4Very high121 Ų12169.3 Ų69.357%0.56535%0.354SS*.Hα-helixtrans-57.5-31.5-177.6-65.1-170.59.600113.5R309R309-Q311 PolarHBondContact O-N 2.99Å
312N91.4Very high92.9Very high128 Ų12865.1 Ų65.168%0.68433%0.326SS*.Hα-helixtrans-102.6-23-176.1-60.8-30.8000112.9R309 T310R309-N312 PolarHBondContact O-N 3.06Å; T310-N312 PolarHBondContact O-N 2.71Å; T310-N312 VanDerWaalsContact O-N 3.13Å
313S90.9Very high93.4Very high32 Ų3266.5 Ų66.522%0.22434%0.339CS..Hα-helixtrans-105.9-15.5-172.360.90000115.1R309 T310 T315 Q316 D317R309-S313 PolarHBondContact O-N 2.99Å; R309-S313 PolarHBondContact O-OG 3.2Å; R309-S313 VanDerWaalsContact O-OG 3.11Å; T310-S313 PolarHBondContact O-N 3.18Å; S313-T315 PolarHBondContact O-N 3.27Å; S313-T315 VanDerWaalsContact O-N 3.09Å; S313-Q316 WeakPolarHBondContact O-CA 3.32Å; S313-Q316 PolarHBondContact O-N 3.03Å; S313-D317 PolarHBondContact O-N 3.36Å
314W95.3Very high94Very high45 Ų4567 Ų6717%0.1734%0.341CS..THydrogen-bonded Turntrans-61.2-26.2-171.175.3-80.2000114.9N249 R268 L271 T310 Q316N249-W314 HydrophobicContact CB-CE3 4.4Å; N249-W314 HydrophobicContact CB-CZ3 4.46Å; N249-W314 PolarHBondContact ND2-O 3.48Å; R268-W314 HydrophobicContact CG-CB 3.88Å; R268-W314 PolarHBondContact NH1-O 3.14Å; L271-W314 HydrophobicContact CB-CZ2 4.25Å; L271-W314 HydrophobicContact CD1-CG 4.09Å; T310-W314 HydrophobicContact CG2-CB 4.36Å; T310-W314 WeakPolarHBondContact O-CB 3.35Å; T310-W314 VanDerWaalsContact O-CD1 3.27Å; T310-W314 PolarHBondContact O-N 2.85Å; T310-W314 VanDerWaalsContact O-N 3.08Å; W314-Q316 VanDerWaalsContact C-N 3.32Å
315T96.4Very high94.5Very high72 Ų7266.8 Ų66.844%0.44234%0.342SS..THydrogen-bonded Turntrans-79.7-13.517555.70000113.3S313 N320S313-T315 PolarHBondContact O-N 3.27Å; S313-T315 VanDerWaalsContact O-N 3.09Å; T315-N320 PolarHBondContact O-ND2 3Å
316Q97Very high95Very high140 Ų14065.9 Ų65.965%0.65434%0.337SS*.THydrogen-bonded Turntrans-106.1-32-177.9-58.5176.530.400112.3S313 W314 S321S313-Q316 WeakPolarHBondContact O-CA 3.32Å; S313-Q316 PolarHBondContact O-N 3.03Å; W314-Q316 VanDerWaalsContact C-N 3.32Å; Q316-S321 WeakPolarHBondContact O-CB 3.4Å; Q316-S321 PolarHBondContact O-OG 2.98Å
317D97.5Very high95.4Very high12 Ų1269.4 Ų69.46%0.06436%0.356CS..SBendtrans-107.5112.7174.6176.934.2000111.1P252 N253 E254 R268 S313 S321P252-D317 VanDerWaalsContact CA-OD2 3.29Å; P252-D317 WeakPolarHBondContact CA-OD2 3.3Å; P252-D317 WeakPolarHBondContact CB-OD2 3.29Å; N253-D317 VanDerWaalsContact CB-OD1 3.23Å; N253-D317 WeakPolarHBondContact CB-OD1 3.49Å; N253-D317 VanDerWaalsContact N-CG 3.33Å; N253-D317 PolarHBondContact N-OD1 3.17Å; N253-D317 PolarHBondContact N-OD2 2.89Å; N253-D317 PolarHBondContact ND2-OD1 3.39Å; E254-D317 PolarHBondContact N-OD2 2.86Å; R268-D317 PolarHBondContact NH1-O 3.38Å; R268-D317 PolarHBondContact NH2-O 2.81Å; R268-D317 IonicContact NH2-OD2 3.57Å; S313-D317 PolarHBondContact O-N 3.36Å; D317-S321 WeakPolarHBondContact CA-OG 3.48Å; D317-S321 PolarHBondContact OD1-OG 2.86Å
318G98.3Very high95.8Very high0 Ų068.7 Ų68.70%036%0.356CS..SBendtrans171.4-141.9175.400000113.6N249 F251 N253 N320 S321 L322N249-G318 CarbonylContact O-C 3.45Å; N249-G318 WeakPolarHBondContact O-CA 3.4Å; F251-G318 WeakPolarHBondContact O-CA 3.49Å; N253-G318 WeakPolarHBondContact ND2-CA 3.23Å; N253-G318 PolarHBondContact ND2-N 3.38Å; N253-G318 PolarHBondContact ND2-O 2.9Å; G318-N320 PolarHBondContact O-N 2.91Å; G318-S321 PolarHBondContact N-OG 2.78Å; G318-S321 PolarHBondContact O-N 2.76Å; G318-S321 VanDerWaalsContact O-N 3.16Å; G318-S321 PolarHBondContact O-OG 3.03Å; G318-L322 PolarHBondContact O-N 2.92Å
319M98.1Very high96.2Very high16 Ų1668 Ų688%0.07934%0.341CS..G310 helixtrans-59.5-36.4177.2-78.5-67.8-7500112.2N176 V179 R180 Y245 N249 S321 L322N176-M319 HydrophobicContact CB-SD 3.72Å; V179-M319 HydrophobicContact CG1-CE 4.33Å; R180-M319 HydrophobicContact CB-CE 4.19Å; R180-M319 PolarHBondContact NH2-O 3.45Å; Y245-M319 HydrophobicContact CD1-CG 4.24Å; Y245-M319 HydrophobicContact CE1-CE 4.37Å; Y245-M319 HydrophobicContact CE1-CG 3.67Å; Y245-M319 HydrophobicContact CE1-SD 3.83Å; N249-M319 PolarHBondContact O-N 2.82Å; N249-M319 PolarHBondContact OD1-N 2.99Å; M319-S321 VanDerWaalsContact C-N 3.29Å; M319-S321 PolarHBondContact O-N 3.47Å; M319-L322 PolarHBondContact O-N 2.71Å; M319-L322 HydrophobicContact SD-CD2 4.14Å
320N98.1Very high96.6Very high102 Ų10265.5 Ų65.555%0.54534%0.336SS..G310 helixtrans-66.1-27.2177.665.1-9.9000114.3N249 T315 G318N249-N320 PolarHBondContact ND2-OD1 3.12Å; N249-N320 VanDerWaalsContact OD1-CG 3.23Å; N249-N320 PolarHBondContact OD1-N 2.87Å; N249-N320 PolarHBondContact OD1-OD1 2.92Å; T315-N320 PolarHBondContact O-ND2 3Å; G318-N320 PolarHBondContact O-N 2.91Å
321S98.2Very high96.9Very high45 Ų4570.5 Ų70.532%0.31536%0.362SS..G310 helixtrans-106.14.3179.467.10000113.6N253 Q316 D317 G318 M319 T323N253-S321 PolarHBondContact ND2-OG 2.88Å; Q316-S321 WeakPolarHBondContact O-CB 3.4Å; Q316-S321 PolarHBondContact O-OG 2.98Å; D317-S321 WeakPolarHBondContact CA-OG 3.48Å; D317-S321 PolarHBondContact OD1-OG 2.86Å; G318-S321 PolarHBondContact N-OG 2.78Å; G318-S321 PolarHBondContact O-N 2.76Å; G318-S321 VanDerWaalsContact O-N 3.16Å; G318-S321 PolarHBondContact O-OG 3.03Å; M319-S321 VanDerWaalsContact C-N 3.29Å; M319-S321 PolarHBondContact O-N 3.47Å; S321-T323 PolarHBondContact O-N 3.03Å; S321-T323 VanDerWaalsContact O-N 3.11Å
322L98.6Very high97.3Very high11 Ų1165.5 Ų65.56%0.05834%0.343CS..  trans-62.1114.4-178.817667000111.4K173 N176 V177 R180 N253 G318 M319 Y324K173-L322 HydrophobicContact CG-CD1 3.82Å; N176-L322 HydrophobicContact CB-CD1 3.82Å; N176-L322 HydrophobicContact CB-CD2 3.72Å; N176-L322 HydrophobicContact CB-CG 4.27Å; V177-L322 HydrophobicContact CG2-CD1 4.03Å; V177-L322 HydrophobicContact CG2-CD2 4.35Å; R180-L322 HydrophobicContact CB-CD2 4.37Å; R180-L322 VanDerWaalsContact CZ-CD2 3.49Å; R180-L322 PolarHBondContact NH1-O 3.03Å; N253-L322 WeakPolarHBondContact OD1-CD1 3.14Å; G318-L322 PolarHBondContact O-N 2.92Å; M319-L322 PolarHBondContact O-N 2.71Å; M319-L322 HydrophobicContact SD-CD2 4.14Å; L322-Y324 HydrophobicContact CD1-CD1 4.35Å; L322-Y324 HydrophobicContact CD2-CD1 4.15Å; L322-Y324 HydrophobicContact CD2-CE1 3.95Å; L322-Y324 HydrophobicContact CG-CD1 3.93Å; L322-Y324 HydrophobicContact CG-CE1 4.17Å
323T98.2Very high97.6Very high94 Ų9463.1 Ų63.158%0.57733%0.334SS*.  trans-116.3131.7174.449.70000110.9K173 S321K173-T323 WeakPolarHBondContact CE-O 3.47Å; K173-T323 PolarHBondContact NZ-O 3.22Å; K173-T323 VanDerWaalsContact NZ-O 3.12Å; S321-T323 PolarHBondContact O-N 3.03Å; S321-T323 VanDerWaalsContact O-N 3.11Å
324Y98.6Very high98Very high51 Ų5161.7 Ų61.720%0.232%0.324CS..  trans-164.2162.4175.166.9-74000110V177 R180 E181 L322 L326 A340 D341V177-Y324 HydrophobicContact CG1-CD2 3.93Å; V177-Y324 HydrophobicContact CG1-CE2 3.86Å; V177-Y324 HydrophobicContact CG1-CG 4.42Å; V177-Y324 HydrophobicContact CG2-CD1 3.82Å; V177-Y324 HydrophobicContact CG2-CD2 4.04Å; V177-Y324 HydrophobicContact CG2-CE1 4.3Å; V177-Y324 HydrophobicContact CG2-CE2 4.49Å; V177-Y324 HydrophobicContact CG2-CG 3.69Å; R180-Y324 WeakPolarHBondContact CD-OH 3.49Å; E181-Y324 WeakPolarHBondContact OE1-CE2 3.28Å; E181-Y324 PolarHBondContact OE1-OH 2.77Å; L322-Y324 HydrophobicContact CD1-CD1 4.35Å; L322-Y324 HydrophobicContact CD2-CD1 4.15Å; L322-Y324 HydrophobicContact CD2-CE1 3.95Å; L322-Y324 HydrophobicContact CG-CD1 3.93Å; L322-Y324 HydrophobicContact CG-CE1 4.17Å; Y324-L326 HydrophobicContact CE2-CB 4.35Å; Y324-A340 HydrophobicContact CD2-CB 4.13Å; Y324-D341 CarbonylContact C-O 3.46Å; Y324-D341 WeakPolarHBondContact CA-O 3.41Å; Y324-D341 VanDerWaalsContact CB-O 3.31Å; Y324-D341 WeakPolarHBondContact CB-O 3.42Å
325Q98.6Very high98.1Very high120 Ų12061.4 Ų61.456%0.56132%0.323SS*.EExtended strand (participates in β ladder)trans-110.8124.6167.1-172.7-177.71100109.2L327 A340 D341Q325-L327 HydrophobicContact CB-CD2 4.37Å; Q325-L327 HydrophobicContact CG-CD2 3.91Å; Q325-L327 PolarHBondContact O-N 3.34Å; Q325-A340 WeakPolarHBondContact O-CA 3.42Å; Q325-D341 HydrophobicContact CB-CB 4.28Å; Q325-D341 PolarHBondContact N-O 3.09Å; Q325-D341 PolarHBondContact O-N 2.87Å
326L98.4Very high98.3Very high69 Ų6958 Ų5836%0.36130%0.303SS..EExtended strand (participates in β ladder)trans-75115.8170.6-177.765.3000108.9Y324 I338Y324-L326 HydrophobicContact CE2-CB 4.35Å; L326-I338 HydrophobicContact CD1-CG2 3.61Å
327L98.5Very high98.3Very high83 Ų8353 Ų5344%0.43528%0.28SS..EExtended strand (participates in β ladder)trans-94.5-39-179.1-58-173.4000112.2A164 Q325 T339 D341A164-L327 HydrophobicContact CB-CD1 3.48Å; A164-L327 VanDerWaalsContact CB-CD1 3.48Å; Q325-L327 HydrophobicContact CB-CD2 4.37Å; Q325-L327 HydrophobicContact CG-CD2 3.91Å; Q325-L327 PolarHBondContact O-N 3.34Å; L327-T339 HydrophobicContact CB-CG2 4.23Å; L327-T339 HydrophobicContact CD1-CG2 4.32Å; L327-T339 PolarHBondContact N-O 3.41Å; L327-D341 HydrophobicContact CD1-CB 4.15Å; L327-D341 HydrophobicContact CD2-CB 4.36Å; L327-D341 HydrophobicContact CG-CB 4.26Å
328A98.3Very high98.4Very high31 Ų3152.4 Ų52.426%0.25628%0.277SS..EExtended strand (participates in β ladder)trans-152.6149178.600000111.3T339A328-T339 PolarHBondContact N-O 2.83Å; A328-T339 PolarHBondContact O-N 3.17Å
329R98Very high98.4Very high104 Ų10453.4 Ų53.439%0.39228%0.283SS..EExtended strand (participates in β ladder)trans-137.9119.8169.8-179.2173.2-178.3-980.1108.5D185 T336 N337 I338D185-R329 IonicContact OD1-CZ 2.83Å; D185-R329 IonicContact OD1-NH2 3.45Å; D185-R329 PolarHBondContact OD1-NH2 2.66Å; D185-R329 IonicContact OD2-CZ 3.14Å; D185-R329 IonicContact OD2-NH2 3.28Å; D185-R329 PolarHBondContact OD2-NH2 2.66Å; R329-T336 HydrophobicContact CG-CG2 4.37Å; R329-N337 CarbonylContact C-O 3.32Å; R329-N337 WeakPolarHBondContact CA-O 3.18Å; R329-I338 HydrophobicContact CG-CG1 4.39Å
330E98.3Very high98.4Very high100 Ų10052.6 Ų52.647%0.46728%0.279SS..EExtended strand (participates in β ladder)trans-131.6127.6-175-61.3-179.8170.900110.2G332 N337E330-G332 PolarHBondContact O-N 3.18Å; E330-N337 HydrophobicContact CB-CB 4.38Å; E330-N337 PolarHBondContact N-O 3.1Å; E330-N337 PolarHBondContact O-N 2.81Å
331L98.4Very high98.5Very high104 Ų10450.9 Ų50.955%0.54527%0.27SS..EExtended strand (participates in β ladder)trans-82.493172.5-58.8-179.2000108.5T336L331-T336 HydrophobicContact CD2-CG2 3.96Å
332G98.1Very high98.5Very high17 Ų1748.8 Ų48.818%0.17526%0.255CS..  trans-77.7169.9174.100000111.9G111 E330 L334 Y335G111-G332 WeakPolarHBondContact CA-O 3.42Å; G111-G332 PolarHBondContact N-O 2.91Å; E330-G332 PolarHBondContact O-N 3.18Å; G332-L334 VanDerWaalsContact C-N 3.25Å; G332-L334 PolarHBondContact O-N 3.45Å; G332-Y335 CarbonylContact C-O 3.53Å; G332-Y335 VanDerWaalsContact CA-O 3.31Å; G332-Y335 WeakPolarHBondContact CA-O 3.49Å; G332-Y335 PolarHBondContact N-O 3.36Å
333P98.1Very high98.3Very high77 Ų7750.1 Ų50.150%0.527%0.271SS..SBendtrans-68.4-22.2-177.127.9-35.9000114V102V102-P333 HydrophobicContact CG2-CB 3.78Å; V102-P333 HydrophobicContact CG2-CG 3.85Å
334L98.6Very high98.2Very high2 Ų250.9 Ų50.91%0.0128%0.276CS..SBendtrans-122.4-13.3-173.5-66.3172.6000113.7L98 I101 V102 V108 G112 L142 H146 G332L98-L334 HydrophobicContact CD2-CD1 4.05Å; I101-L334 HydrophobicContact CB-CD1 3.67Å; I101-L334 HydrophobicContact CG2-CD1 3.48Å; I101-L334 VanDerWaalsContact CG2-CD1 3.48Å; I101-L334 HydrophobicContact CG2-CD2 3.95Å; I101-L334 HydrophobicContact CG2-CG 4.36Å; V102-L334 HydrophobicContact CG2-CD1 3.82Å; V102-L334 HydrophobicContact CG2-CD2 3.96Å; V102-L334 HydrophobicContact CG2-CG 3.7Å; V108-L334 HydrophobicContact CG1-CD2 4.43Å; G112-L334 WeakPolarHBondContact CA-O 3.48Å; L142-L334 HydrophobicContact CD1-CB 4.26Å; L142-L334 HydrophobicContact CD1-CD1 4.42Å; L142-L334 HydrophobicContact CD2-CB 4.44Å; H146-L334 PolarHBondContact CE1-O 2.98Å; H146-L334 PolarHBondContact NE2-O 3.47Å; G332-L334 VanDerWaalsContact C-N 3.25Å; G332-L334 PolarHBondContact O-N 3.45Å
335Y98.8Very high97.9Very high40 Ų4049.9 Ų49.916%0.15727%0.274CS..SBendtrans-164.5160.1179.861.1-84.7000110.3G111 L138 L142 I158 V160 G332 N337G111-Y335 VanDerWaalsContact C-C 3.43Å; G111-Y335 CarbonylContact O-C 3.5Å; L138-Y335 HydrophobicContact CD2-CE1 4.25Å; L138-Y335 HydrophobicContact CD2-CE2 4.47Å; L142-Y335 HydrophobicContact CD1-CD1 3.51Å; L142-Y335 HydrophobicContact CD1-CE1 3.67Å; L142-Y335 HydrophobicContact CD2-CD1 4.02Å; L142-Y335 HydrophobicContact CG-CD1 4.41Å; I158-Y335 CarbonylContact O-C 3.53Å; I158-Y335 WeakPolarHBondContact O-CA 3.34Å; I158-Y335 WeakPolarHBondContact O-CB 3.18Å; V160-Y335 HydrophobicContact CB-CD2 3.54Å; V160-Y335 HydrophobicContact CB-CE2 3.8Å; V160-Y335 HydrophobicContact CB-CG 4.39Å; V160-Y335 HydrophobicContact CG1-CE2 4.35Å; V160-Y335 HydrophobicContact CG2-CD1 4.44Å; V160-Y335 HydrophobicContact CG2-CD2 3.31Å; V160-Y335 HydrophobicContact CG2-CE2 3.83Å; V160-Y335 HydrophobicContact CG2-CG 3.66Å; G332-Y335 CarbonylContact C-O 3.53Å; G332-Y335 VanDerWaalsContact CA-O 3.31Å; G332-Y335 WeakPolarHBondContact CA-O 3.49Å; G332-Y335 PolarHBondContact N-O 3.36Å; Y335-N337 HydrophobicContact CD2-CB 4.17Å; Y335-N337 HydrophobicContact CE2-CB 3.73Å
336T98.9Very high97.4Very high1 Ų149.2 Ų49.21%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-85.9117.4167.7-610000108.6G111 I158 Y159 V160 R329 L331 I338G111-T336 VanDerWaalsContact CA-OG1 3.31Å; G111-T336 WeakPolarHBondContact CA-OG1 3.34Å; G111-T336 PolarHBondContact O-N 3.37Å; G111-T336 PolarHBondContact O-OG1 3.34Å; I158-T336 PolarHBondContact O-N 3.17Å; Y159-T336 HydrophobicContact CD1-CG2 4.03Å; Y159-T336 HydrophobicContact CE1-CG2 4.14Å; V160-T336 PolarHBondContact N-O 3.35Å; R329-T336 HydrophobicContact CG-CG2 4.37Å; L331-T336 HydrophobicContact CD2-CG2 3.96Å; T336-I338 HydrophobicContact CG2-CD1 4.38Å; T336-I338 HydrophobicContact CG2-CG1 4.1Å
337N98.7Very high96.8Very high33 Ų3350 Ų5018%0.17628%0.278CS..EExtended strand (participates in β ladder)trans-89.8123.9177.1-172.36.7000109.7R329 E330 Y335R329-N337 CarbonylContact C-O 3.32Å; R329-N337 WeakPolarHBondContact CA-O 3.18Å; E330-N337 HydrophobicContact CB-CB 4.38Å; E330-N337 PolarHBondContact N-O 3.1Å; E330-N337 PolarHBondContact O-N 2.81Å; Y335-N337 HydrophobicContact CD2-CB 4.17Å; Y335-N337 HydrophobicContact CE2-CB 3.73Å
338I98.8Very high95.7Very high0 Ų046.9 Ų46.90%027%0.266CS..EExtended strand (participates in β ladder)trans-122111.8178.6-63.2179.4000107.7Y159 V160 I161 H162 E181 L326 R329 T336Y159-I338 HydrophobicContact CD1-CD1 3.86Å; V160-I338 PolarHBondContact O-N 3.4Å; I161-I338 CarbonylContact C-O 3.58Å; I161-I338 WeakPolarHBondContact CA-O 3.45Å; I161-I338 HydrophobicContact CD1-CB 3.88Å; I161-I338 HydrophobicContact CD1-CD1 3.84Å; I161-I338 HydrophobicContact CD1-CG1 4.28Å; I161-I338 HydrophobicContact CD1-CG2 4.32Å; H162-I338 PolarHBondContact N-O 3.28Å; E181-I338 HydrophobicContact CB-CD1 3.52Å; E181-I338 HydrophobicContact CG-CD1 4.05Å; E181-I338 HydrophobicContact CG-CG2 4.3Å; L326-I338 HydrophobicContact CD1-CG2 3.61Å; R329-I338 HydrophobicContact CG-CG1 4.39Å; T336-I338 HydrophobicContact CG2-CD1 4.38Å; T336-I338 HydrophobicContact CG2-CG1 4.1Å
339T98.8Very high94.1Very high21 Ų2151.7 Ų51.713%0.12930%0.295CS..EExtended strand (participates in β ladder)trans-96.9119174.8-57.60000109.3H162 A164 L327 A328H162-T339 WeakPolarHBondContact O-CA 3.41Å; A164-T339 HydrophobicContact CB-CG2 4.06Å; L327-T339 HydrophobicContact CB-CG2 4.23Å; L327-T339 HydrophobicContact CD1-CG2 4.32Å; L327-T339 PolarHBondContact N-O 3.41Å; A328-T339 PolarHBondContact N-O 2.83Å; A328-T339 PolarHBondContact O-N 3.17Å
340A98.6Very high92.1Very high0 Ų058.5 Ų58.50%032%0.321CS..EExtended strand (participates in β ladder)trans-125134.5-178.100000111.7H162 A164 V177 Y324 Q325 I342H162-A340 PolarHBondContact O-N 3.37Å; A164-A340 WeakPolarHBondContact CB-O 3.43Å; A164-A340 PolarHBondContact N-O 2.93Å; V177-A340 HydrophobicContact CG1-CB 3.93Å; Y324-A340 HydrophobicContact CD2-CB 4.13Å; Q325-A340 WeakPolarHBondContact O-CA 3.42Å; A340-I342 HydrophobicContact CB-CG2 4.3Å
341D98.4Very high89.9Confident65 Ų6557.7 Ų57.735%0.34833%0.331SS..EExtended strand (participates in β ladder)trans-86.2115.8161.8-175.3-9.4000108.5A164 Y324 Q325 L327 G343A164-D341 HydrophobicContact CB-CB 4.34Å; Y324-D341 CarbonylContact C-O 3.46Å; Y324-D341 WeakPolarHBondContact CA-O 3.41Å; Y324-D341 VanDerWaalsContact CB-O 3.31Å; Y324-D341 WeakPolarHBondContact CB-O 3.42Å; Q325-D341 HydrophobicContact CB-CB 4.28Å; Q325-D341 PolarHBondContact N-O 3.09Å; Q325-D341 PolarHBondContact O-N 2.87Å; L327-D341 HydrophobicContact CD1-CB 4.15Å; L327-D341 HydrophobicContact CD2-CB 4.36Å; L327-D341 HydrophobicContact CG-CB 4.26Å; D341-G343 PolarHBondContact OD1-N 3.3Å
342I98.1Very high87.3Confident2 Ų258.5 Ų58.51%0.0134%0.343CS..  trans-101.99.8-177.663.8171.5000112.6Q163 N170 K173 L174 V177 W256 A340Q163-I342 VanDerWaalsContact CD-CD1 3.43Å; Q163-I342 HydrophobicContact CG-CD1 3.88Å; Q163-I342 HydrophobicContact CG-CG1 4Å; N170-I342 HydrophobicContact CB-CD1 3.7Å; K173-I342 HydrophobicContact CD-CB 4.03Å; K173-I342 HydrophobicContact CD-CD1 4.43Å; K173-I342 HydrophobicContact CG-CB 4.34Å; K173-I342 PolarHBondContact NZ-O 3.13Å; L174-I342 HydrophobicContact CD2-CD1 4.18Å; L174-I342 HydrophobicContact CD2-CG2 3.93Å; L174-I342 HydrophobicContact CG-CD1 4.16Å; V177-I342 HydrophobicContact CG2-CG2 4.14Å; W256-I342 HydrophobicContact CH2-CD1 4.06Å; W256-I342 HydrophobicContact CH2-CG1 3.92Å; W256-I342 WeakPolarHBondContact CH2-O 3.37Å; W256-I342 HydrophobicContact CZ3-CD1 3.93Å; W256-I342 HydrophobicContact CZ3-CG1 4.1Å; A340-I342 HydrophobicContact CB-CG2 4.3Å
343G96.1Very high84.8Confident38 Ų3863.5 Ų63.539%0.39238%0.375SS..  trans79.9-163.9-173.400000113.1W256 D341W256-G343 WeakPolarHBondContact CH2-O 3.2Å; D341-G343 PolarHBondContact OD1-N 3.3Å
344T94.3Very high82.5Confident111 Ų11162.2 Ų62.268%0.68138%0.376SS*.  trans-117.8154.9-177.155.50000111.4P346T344-P346 VanDerWaalsContact O-CD 3.28Å; T344-P346 WeakPolarHBondContact O-CD 3.34Å; T344-P346 VanDerWaalsContact O-N 3.14Å
345D92.6Very high79.9Confident29 Ų2967.1 Ų67.116%0.15541%0.408CS..  trans-58.4114.8170.6-178.61.2000110.4W256 R347 G348W256-D345 HydrophobicContact CB-CB 3.76Å; W256-D345 VanDerWaalsContact CB-CG 3.48Å; W256-D345 HydrophobicContact CD2-CB 3.8Å; W256-D345 HydrophobicContact CE3-CB 4.15Å; W256-D345 HydrophobicContact CG-CB 3.62Å; D345-R347 PolarHBondContact O-N 2.84Å; D345-R347 PolarHBondContact OD1-N 3.01Å; D345-G348 VanDerWaalsContact CG-N 3.26Å; D345-G348 PolarHBondContact O-N 3.11Å; D345-G348 PolarHBondContact OD1-N 2.79Å; D345-G348 PolarHBondContact OD2-N 3.06Å
346P89Confident77.4Confident106 Ų10676.8 Ų76.869%0.68844%0.444SS*.THydrogen-bonded Turntrans-66.7-17.2-18028.2-34.9000112.9T344T344-P346 VanDerWaalsContact O-CD 3.28Å; T344-P346 WeakPolarHBondContact O-CD 3.34Å; T344-P346 VanDerWaalsContact O-N 3.14Å
347R84.9Confident74.9Confident85 Ų8584.1 Ų84.132%0.32147%0.473SS..THydrogen-bonded Turntrans-104.7-3.8178.9-65.7169.8-73.2-158.6-9.5112.9E254 L306 D345E254-R347 PolarHBondContact O-NH2 3.37Å; L306-R347 VanDerWaalsContact CD2-NH1 3.35Å; D345-R347 PolarHBondContact O-N 2.84Å; D345-R347 PolarHBondContact OD1-N 3.01Å
348G75.4Confident72Confident18 Ų1887 Ų8719%0.18649%0.493CS..SBendtrans-73.3166.8-179.900000112.5D345 R350D345-G348 VanDerWaalsContact CG-N 3.26Å; D345-G348 PolarHBondContact O-N 3.11Å; D345-G348 PolarHBondContact OD1-N 2.79Å; D345-G348 PolarHBondContact OD2-N 3.06Å; G348-R350 PolarHBondContact O-N 3.39Å; G348-R350 VanDerWaalsContact O-N 3.14Å
349P64.9Low69.1Low132 Ų13293.6 Ų93.686%0.85754%0.536SS*.  trans-54.6123.2169.7-18.930000109A351P349-A351 PolarHBondContact O-N 3.4Å
350R55.5Low66.7Low247 Ų24796.1 Ų96.193%0.93257%0.566SS**  trans-59.4113.8175.8-72.9-178175.6173.9-1.2108G348G348-R350 PolarHBondContact O-N 3.39Å; G348-R350 VanDerWaalsContact O-N 3.14Å
351A52.7Low64.4Low83 Ų8398 Ų9869%0.68658%0.579SS**  trans-57.9140169.400000108.3P349 S353P349-A351 PolarHBondContact O-N 3.4Å; A351-S353 PolarHBondContact O-N 3.5Å
352P43.5Very low62.2Low121 Ų12199.3 Ų99.379%0.78659%0.594SS**  trans-55.1136.9164.208.4000106.9G354P352-G354 PolarHBondContact O-N 3.21Å
353S46.4Very low59.8Low122 Ų122106.6 Ų106.685%0.85363%0.628SS**  trans-52.497.7177.551.90000109.8A351A351-S353 PolarHBondContact O-N 3.5Å
354G49.6Very low57.4Low51 Ų51107.3 Ų107.353%0.52663%0.63SS.*  trans-68.6161.1170.100000110.4P352 R356P352-G354 PolarHBondContact O-N 3.21Å; G354-R356 PolarHBondContact O-N 3.1Å
355P44.3Very low55.2Low104 Ų104106.9 Ų106.968%0.67562%0.618SS**  trans-59.7127.3-177.224.3-31.7000109.9Y357P355-Y357 PolarHBondContact O-N 2.61Å; P355-Y357 VanDerWaalsContact O-N 3.16Å
356R47.1Very low53.1Low243 Ų243113 Ų11392%0.91764%0.639SS**  trans-63.7113.1172-74178.5-178.8172.6-0.1107.9G354G354-R356 PolarHBondContact O-N 3.1Å
357Y46.1Very low51.2Low156 Ų156114 Ų11461%0.61264%0.635SS**PPolyproline II helixtrans-72.2127.3167.6-72.5-78.3000108.9P355P355-Y357 PolarHBondContact O-N 2.61Å; P355-Y357 VanDerWaalsContact O-N 3.16Å
358P37.6Very low49.4Very low92 Ų92113.5 Ų113.560%0.59764%0.636SS**PPolyproline II helixtrans-67152.4178.78.4-5.4000111.6G360P358-G360 PolarHBondContact O-N 2.64Å
359P37.4Very low47.9Very low140 Ų140117.4 Ų117.491%0.90965%0.651SS**THydrogen-bonded Turntrans-57.8122.6175.7-18.730.3000110.7
360G47.7Very low47Very low74 Ų74117.6 Ų117.676%0.76364%0.644SS**THydrogen-bonded Turntrans121.5-3.1179.500000115.9P358 S362P358-G360 PolarHBondContact O-N 2.64Å; G360-S362 VanDerWaalsContact C-N 3.28Å; G360-S362 PolarHBondContact O-N 3.22Å
361S50.7Low46.5Very low38 Ų38112.7 Ų112.727%0.26663%0.632SS.*THydrogen-bonded Turntrans-85.426.3-176.276.70000115.5Q363 A364 F365S361-Q363 PolarHBondContact O-N 3.43Å; S361-Q363 VanDerWaalsContact O-N 3.08Å; S361-A364 PolarHBondContact O-N 2.95Å; S361-F365 PolarHBondContact O-N 3.11Å
362S51.6Low45.8Very low94 Ų94116.5 Ų116.566%0.65763%0.628SS**Hα-helixtrans-56.1-28.6-179.158.80000112.8G360 R366G360-S362 VanDerWaalsContact C-N 3.28Å; G360-S362 PolarHBondContact O-N 3.22Å; S362-R366 WeakPolarHBondContact O-CB 3.46Å; S362-R366 PolarHBondContact O-N 3.15Å; S362-R366 VanDerWaalsContact O-N 3.15Å
363Q48.9Very low45.4Very low155 Ų155121.7 Ų121.772%0.72463%0.632SS**Hα-helixtrans-72-37.4173-82.4-175.3-21.700114.1S361 R366 Q367S361-Q363 PolarHBondContact O-N 3.43Å; S361-Q363 VanDerWaalsContact O-N 3.08Å; Q363-R366 PolarHBondContact O-N 3.25Å; Q363-Q367 WeakPolarHBondContact O-CB 3.45Å; Q363-Q367 WeakPolarHBondContact O-CG 3.21Å; Q363-Q367 PolarHBondContact O-N 2.79Å
364A46.3Very low44.9Very low52 Ų52121.1 Ų121.143%0.4363%0.626SS.*Hα-helixtrans-70.6-41.7-178.700000111.4S361 Q367 E368S361-A364 PolarHBondContact O-N 2.95Å; A364-Q367 PolarHBondContact O-N 2.93Å; A364-E368 PolarHBondContact O-N 2.78Å
365F46.9Very low44.3Very low102 Ų102124.7 Ų124.745%0.44764%0.64SS.*Hα-helixtrans-65.4-41.7173.2-179.7-104.6000111.9S361 Q367 E368 M369S361-F365 PolarHBondContact O-N 3.11Å; F365-Q367 PolarHBondContact O-N 3.42Å; F365-E368 PolarHBondContact O-N 3.28Å; F365-M369 HydrophobicContact CD1-CG 4.33Å; F365-M369 HydrophobicContact CD2-CG 4.5Å; F365-M369 HydrophobicContact CE1-CG 3.94Å; F365-M369 HydrophobicContact CE2-CG 4.13Å; F365-M369 HydrophobicContact CE2-SD 4.34Å; F365-M369 HydrophobicContact CZ-CG 3.83Å; F365-M369 HydrophobicContact CZ-SD 4.11Å; F365-M369 VanDerWaalsContact O-CG 3.32Å; F365-M369 WeakPolarHBondContact O-CG 3.21Å; F365-M369 PolarHBondContact O-N 2.69Å
366R48Very low43.9Very low157 Ų157125.1 Ų125.159%0.59265%0.645SS**Hα-helixtrans-61.2-40.9174.8-174.6175.5179.6133.9-0.7112S362 Q363 L370S362-R366 WeakPolarHBondContact O-CB 3.46Å; S362-R366 PolarHBondContact O-N 3.15Å; S362-R366 VanDerWaalsContact O-N 3.15Å; Q363-R366 PolarHBondContact O-N 3.25Å; R366-L370 HydrophobicContact CG-CD1 4.1Å; R366-L370 WeakPolarHBondContact O-CB 3.32Å; R366-L370 WeakPolarHBondContact O-CD1 3.49Å; R366-L370 WeakPolarHBondContact O-CG 3.24Å; R366-L370 PolarHBondContact O-N 2.82Å; R366-L370 VanDerWaalsContact O-N 3.12Å
367Q49.1Very low43.5Very low127 Ų127124.8 Ų124.859%0.59364%0.644SS**Hα-helixtrans-68.2-39.1175.3-79.3-168.9-1100112.6Q363 A364 F365 M369 L370 Q371Q363-Q367 WeakPolarHBondContact O-CB 3.45Å; Q363-Q367 WeakPolarHBondContact O-CG 3.21Å; Q363-Q367 PolarHBondContact O-N 2.79Å; A364-Q367 PolarHBondContact O-N 2.93Å; F365-Q367 PolarHBondContact O-N 3.42Å; Q367-M369 PolarHBondContact O-N 3.18Å; Q367-L370 PolarHBondContact O-N 2.83Å; Q367-Q371 WeakPolarHBondContact O-CB 3.44Å; Q367-Q371 VanDerWaalsContact O-CG 3.27Å; Q367-Q371 WeakPolarHBondContact O-CG 3.27Å; Q367-Q371 PolarHBondContact O-N 3.06Å
368E47.4Very low43.2Very low76 Ų76123.4 Ų123.436%0.35565%0.654SS.*Hα-helixtrans-63-42.7175.9-166.7-169.4151.500111.6A364 F365 L370 Q371 R372A364-E368 PolarHBondContact O-N 2.78Å; F365-E368 PolarHBondContact O-N 3.28Å; E368-L370 VanDerWaalsContact C-N 3.34Å; E368-L370 PolarHBondContact O-N 3.29Å; E368-Q371 PolarHBondContact O-N 3.46Å; E368-R372 PolarHBondContact O-N 3.36Å; E368-R372 IonicContact OE1-NH2 3.98Å; E368-R372 PolarHBondContact OE1-NH2 3.24Å
369M44.5Very low43.6Very low99 Ų99121.8 Ų121.849%0.48865%0.654SS.*Hα-helixtrans-67.3-33.1178.1-70.3-63.7-70.900112.8F365 Q367F365-M369 HydrophobicContact CD1-CG 4.33Å; F365-M369 HydrophobicContact CD2-CG 4.5Å; F365-M369 HydrophobicContact CE1-CG 3.94Å; F365-M369 HydrophobicContact CE2-CG 4.13Å; F365-M369 HydrophobicContact CE2-SD 4.34Å; F365-M369 HydrophobicContact CZ-CG 3.83Å; F365-M369 HydrophobicContact CZ-SD 4.11Å; F365-M369 VanDerWaalsContact O-CG 3.32Å; F365-M369 WeakPolarHBondContact O-CG 3.21Å; F365-M369 PolarHBondContact O-N 2.69Å; Q367-M369 PolarHBondContact O-N 3.18Å
370L45.3Very low43.8Very low136 Ų136121.1 Ų121.171%0.71265%0.649SS**Hα-helixtrans-77.8-22.2175.6-69.6169.1000113.3R366 Q367 E368R366-L370 HydrophobicContact CG-CD1 4.1Å; R366-L370 WeakPolarHBondContact O-CB 3.32Å; R366-L370 WeakPolarHBondContact O-CD1 3.49Å; R366-L370 WeakPolarHBondContact O-CG 3.24Å; R366-L370 PolarHBondContact O-N 2.82Å; R366-L370 VanDerWaalsContact O-N 3.12Å; Q367-L370 PolarHBondContact O-N 2.83Å; E368-L370 VanDerWaalsContact C-N 3.34Å; E368-L370 PolarHBondContact O-N 3.29Å
371Q44.8Very low43.6Very low145 Ų145123 Ų12368%0.67865%0.648SS**Hα-helixtrans-85.1-13.2-179.2-78.91783.600114.3Q367 E368 R373Q367-Q371 WeakPolarHBondContact O-CB 3.44Å; Q367-Q371 VanDerWaalsContact O-CG 3.27Å; Q367-Q371 WeakPolarHBondContact O-CG 3.27Å; Q367-Q371 PolarHBondContact O-N 3.06Å; E368-Q371 PolarHBondContact O-N 3.46Å; Q371-R373 PolarHBondContact O-N 3.44Å
372R39.7Very low42.9Very low162 Ų162127.1 Ų127.161%0.61167%0.674SS**  trans-72.991.9175.3-69-171.9-177.9-146.91110.4E368E368-R372 PolarHBondContact O-N 3.36Å; E368-R372 IonicContact OE1-NH2 3.98Å; E368-R372 PolarHBondContact OE1-NH2 3.24Å
373R34.3Very low42.4Very low230 Ų230129 Ų12987%0.86868%0.682SS**PPolyproline II helixtrans-59.8144.6168.2-74.1-176.8176.2-175.3-0.8110.1Q371Q371-R373 PolarHBondContact O-N 3.44Å
374P34.9Very low41.9Very low111 Ų111125.7 Ų125.772%0.72168%0.681SS**PPolyproline II helixtrans-59.5147.1170.526-32.8000109.6S376P374-S376 PolarHBondContact O-N 2.88Å
375P36.8Very low41.2Very low126 Ų126130.4 Ų130.482%0.81870%0.699SS**PPolyproline II helixtrans-56129.3175.821.9-30.5000109.5R377P375-R377 PolarHBondContact O-N 3.49Å
376S37.4Very low40.8Very low112 Ų112134.5 Ų134.578%0.78372%0.719SS**PPolyproline II helixtrans-54.6134.117544.50000110.3P374P374-S376 PolarHBondContact O-N 2.88Å
377R38.2Very low40.3Very low237 Ų237133.3 Ų133.389%0.89473%0.73SS**PPolyproline II helixtrans-48.1139.5173.9-78.6179.7170.4-179.4-3.2110.3P375 G379P375-R377 PolarHBondContact O-N 3.49Å; R377-G379 PolarHBondContact O-N 3.29Å
378P39.4Very low39.6Very low127 Ų127132.1 Ų132.183%0.82574%0.741SS**PPolyproline II helixtrans-59.5132.8165.7-1225.3000108.7
379G46.4Very low39.1Very low58 Ų58136.8 Ų136.860%0.59877%0.768SS**PPolyproline II helixtrans-60.3162.417300000111.9R377R377-G379 PolarHBondContact O-N 3.29Å
380P42.5Very low38.8Very low125 Ų125143.7 Ų143.781%0.81279%0.789SS**PPolyproline II helixtrans-62.3140.5-178.426.7-33.1000110.6
381P42.8Very low38.3Very low113 Ų113141 Ų14173%0.73479%0.794SS**PPolyproline II helixtrans-61.614617724.9-32.5000111T383P381-T383 PolarHBondContact O-N 3.2Å
382P36.4Very low38Very low126 Ų126138.9 Ų138.982%0.81880%0.795SS**PPolyproline II helixtrans-64.7134.8178.525.3-31.5000110.8A384P382-A384 PolarHBondContact O-N 3.13Å
383T40.2Very low37.9Very low132 Ų132143.8 Ų143.881%0.8182%0.824SS**PPolyproline II helixtrans-58.8127.3173.640.40000110.7P381 N385P381-T383 PolarHBondContact O-N 3.2Å; T383-N385 PolarHBondContact O-N 3.07Å
384A37.7Very low38.1Very low87 Ų87139.5 Ų139.572%0.71982%0.822SS**PPolyproline II helixtrans-64.6119.317300000110.2P382 H386P382-A384 PolarHBondContact O-N 3.13Å; A384-H386 PolarHBondContact O-N 2.56Å
385N33.3Very low38.3Very low151 Ų151141 Ų14181%0.80783%0.827SS**  trans-69106.7167.4-89.1-14.8000109T383 T387T383-N385 PolarHBondContact O-N 3.07Å; N385-T387 PolarHBondContact O-N 3.22Å
386H37.4Very low38.3Very low188 Ų188141.8 Ų141.887%0.8783%0.828SS**  trans-7696.5161.4-83.6-69.5000109.1A384 A388A384-H386 PolarHBondContact O-N 2.56Å; H386-A388 PolarHBondContact O-N 3.45Å
387T37Very low38.4Very low132 Ų132143.6 Ų143.681%0.8183%0.83SS**  trans-79.1110.8162.20.90000108.6N385 L389N385-T387 PolarHBondContact O-N 3.22Å; T387-L389 PolarHBondContact O-N 3.46Å
388A35.7Very low38.4Very low101 Ų101137.8 Ų137.884%0.83583%0.826SS**  trans-68.5120.817000000110.2H386 R390H386-A388 PolarHBondContact O-N 3.45Å; A388-R390 PolarHBondContact O-N 3.5Å
389L37.5Very low38.3Very low175 Ų175138.5 Ų138.592%0.91683%0.827SS**  trans-79.3109.8165.3-94.4148.7000108.7T387 G391T387-L389 PolarHBondContact O-N 3.46Å; L389-G391 PolarHBondContact O-N 3.45Å
390R37Very low37.8Very low244 Ų244144.2 Ų144.292%0.92184%0.843SS**  trans-68119.1159.8-94.3-178.6169.1-163-2.6108.4A388A388-R390 PolarHBondContact O-N 3.5Å
391G34Very low37.4Very low80 Ų80145.7 Ų145.783%0.82585%0.845SS**  trans-104.6123.6160.300000109.4L389L389-G391 PolarHBondContact O-N 3.45Å
392S38.8Very low36.9Very low99 Ų99148.4 Ų148.469%0.69286%0.855SS**  trans-13997.8163.849.90000107.1
393H38.5Very low37Very low266 Ų266150.5 Ų150.5100%1.23186%0.858SS**  trans177.90132.7-92-58.1000110.1

Retrieved 393 of 393 residues in 126.2 ms (Link to these results)

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