A0A096MU36_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 (A0A2K5V5W8), UniProt , Accession A0A096MU36, Species PAPAN (Papio anubis, Olive baboon), Gene B4GALT6, Length 382 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
1M50.8Low53.1Low241 Ų241163.5 Ų163.5100%1.18779%0.79SS**  019.20-96.9171.469.500115.2
2S54Low54.9Low99 Ų99160.4 Ų160.469%0.69278%0.78SS**  trans-123.8-7.6-178.462.80000116.2
3V47Very low56.8Low115 Ų115164.3 Ų164.370%0.69778%0.782SS**SBendtrans-90.9-29.8-178.4-1750000112.2R5 R6V3-R5 VanDerWaalsContact C-N 3.33Å; V3-R5 PolarHBondContact O-N 3.22Å; V3-R6 PolarHBondContact O-N 2.86Å
4L46Very low58.3Low165 Ų165157.5 Ų157.586%0.86476%0.76SS**THydrogen-bonded Turntrans-72.1-21.8-178.6-136.480.9000113.9R6L4-R6 VanDerWaalsContact C-N 3.34Å
5R45.4Very low59.9Low229 Ų229152.7 Ų152.786%0.86474%0.739SS**THydrogen-bonded Turntrans-79.7-11.5178.2-97.4-175-177.6-175.21.7114.2V3V3-R5 VanDerWaalsContact C-N 3.33Å; V3-R5 PolarHBondContact O-N 3.22Å
6R46Very low61.5Low223 Ų223150.6 Ų150.684%0.84273%0.732SS**SBendtrans-94.7-10.7-174.4-147.7173.3-174.9-179.20.9113.8V3 L4V3-R6 PolarHBondContact O-N 2.86Å; L4-R6 VanDerWaalsContact C-N 3.34Å
7M47.5Very low62.9Low163 Ų163144.2 Ų144.280%0.80371%0.709SS**THydrogen-bonded Turntrans-86.4-3.1-176.7-73.6-171.974.300115.2
8M53.5Low64.4Low170 Ų170143.7 Ų143.784%0.83770%0.703SS**THydrogen-bonded Turntrans-135.349.4177.4-62.8-148.5-55.300113.5
9R56.3Low65.7Low239 Ų239141.1 Ų141.190%0.90269%0.691SS**  trans-98.978.4160.3-103.1-177.1175.7177-1108.7S11R9-S11 PolarHBondContact O-N 3.15Å
10V60.8Low66.9Low86 Ų86140.5 Ų140.552%0.52169%0.685SS.*  trans-64.4118.6164.1-177.90000106.3N12 L15V10-N12 PolarHBondContact O-N 2.84Å; V10-L15 HydrophobicContact CG1-CB 4.02Å
11S77.2Confident68Low69 Ų69140.2 Ų140.248%0.48368%0.681SS.*  trans-55.4136.6173.2164.30000109.2R9 R13 S14 L15R9-S11 PolarHBondContact O-N 3.15Å; S11-R13 PolarHBondContact O-N 2.84Å; S11-R13 PolarHBondContact OG-N 2.8Å; S11-S14 WeakPolarHBondContact O-CA 3.32Å; S11-S14 WeakPolarHBondContact O-CB 3.49Å; S11-S14 PolarHBondContact O-N 3.46Å; S11-L15 PolarHBondContact O-N 2.95Å
12N74.6Confident69.9Low126 Ų126134.9 Ų134.967%0.67465%0.651SS**Hα-helixtrans-50.6-31.8176.5-74.2-0000112.1V10 L16V10-N12 PolarHBondContact O-N 2.84Å; N12-L16 WeakPolarHBondContact O-CB 3.3Å; N12-L16 WeakPolarHBondContact O-CD1 3.29Å; N12-L16 VanDerWaalsContact O-CG 3.3Å; N12-L16 WeakPolarHBondContact O-CG 3.34Å; N12-L16 PolarHBondContact O-N 3.04Å
13R79.3Confident71.3Confident211 Ų211133.1 Ų133.180%0.79664%0.639SS**Hα-helixtrans-67.9-39.2175.1-66.2-174.2177.7-173.6-1113S11 A17S11-R13 PolarHBondContact O-N 2.84Å; S11-R13 PolarHBondContact OG-N 2.8Å; R13-A17 WeakPolarHBondContact O-CB 3.38Å; R13-A17 PolarHBondContact O-N 3.02Å
14S77.7Confident73.1Confident69 Ų69132.3 Ų132.348%0.48363%0.63SS.*Hα-helixtrans-69.8-39.7176.6-175.80000111.2S11 A17 F18S11-S14 WeakPolarHBondContact O-CA 3.32Å; S11-S14 WeakPolarHBondContact O-CB 3.49Å; S11-S14 PolarHBondContact O-N 3.46Å; S14-A17 PolarHBondContact O-N 3.43Å; S14-F18 WeakPolarHBondContact O-CB 3.21Å; S14-F18 PolarHBondContact O-N 2.74Å
15L82.3Confident74.9Confident85 Ų85127.4 Ų127.445%0.44561%0.609SS.*Hα-helixtrans-64.1-45.1174.1-173.568.2000111.8V10 S11 F18 I19V10-L15 HydrophobicContact CG1-CB 4.02Å; S11-L15 PolarHBondContact O-N 2.95Å; L15-F18 PolarHBondContact O-N 2.81Å; L15-I19 HydrophobicContact CG-CD1 4.07Å; L15-I19 VanDerWaalsContact O-CG1 3.3Å; L15-I19 WeakPolarHBondContact O-CG1 3.17Å; L15-I19 PolarHBondContact O-N 3.41Å
16L85.2Confident76.4Confident119 Ų119118.7 Ų118.762%0.62358%0.584SS**Hα-helixtrans-62.2-43175.7-81.6161.2000112N12 I19 F20N12-L16 WeakPolarHBondContact O-CB 3.3Å; N12-L16 WeakPolarHBondContact O-CD1 3.29Å; N12-L16 VanDerWaalsContact O-CG 3.3Å; N12-L16 WeakPolarHBondContact O-CG 3.34Å; N12-L16 PolarHBondContact O-N 3.04Å; L16-I19 PolarHBondContact O-N 3.02Å; L16-F20 WeakPolarHBondContact O-CB 3.08Å; L16-F20 PolarHBondContact O-N 3.13Å
17A86.6Confident77.8Confident42 Ų42110.5 Ų110.535%0.34756%0.56SS.*Hα-helixtrans-62.1-44.4175.200000111.4R13 S14 F20 F21R13-A17 WeakPolarHBondContact O-CB 3.38Å; R13-A17 PolarHBondContact O-N 3.02Å; S14-A17 PolarHBondContact O-N 3.43Å; A17-F20 PolarHBondContact O-N 3.05Å; A17-F21 HydrophobicContact CB-CE2 4.48Å; A17-F21 WeakPolarHBondContact O-CD2 3.03Å; A17-F21 PolarHBondContact O-N 3.1Å
18F88.8Confident79Confident136 Ų136106 Ų10660%0.59654%0.544SS*.Hα-helixtrans-60.6-47.1176178.7-95.9000112.1S14 L15 F20 F21 F22S14-F18 WeakPolarHBondContact O-CB 3.21Å; S14-F18 PolarHBondContact O-N 2.74Å; L15-F18 PolarHBondContact O-N 2.81Å; F18-F20 VanDerWaalsContact C-N 3.31Å; F18-F20 PolarHBondContact O-N 2.84Å; F18-F21 PolarHBondContact O-N 2.87Å; F18-F22 WeakPolarHBondContact O-CB 3.1Å; F18-F22 PolarHBondContact O-N 3.21Å
19I89Confident79.8Confident93 Ų93101.9 Ų101.948%0.47753%0.525SS..Hα-helixtrans-61-41.7176.8-68166.5000110.7L15 L16 F22 S23L15-I19 HydrophobicContact CG-CD1 4.07Å; L15-I19 VanDerWaalsContact O-CG1 3.3Å; L15-I19 WeakPolarHBondContact O-CG1 3.17Å; L15-I19 PolarHBondContact O-N 3.41Å; L16-I19 PolarHBondContact O-N 3.02Å; I19-F22 PolarHBondContact O-N 3.37Å; I19-S23 WeakPolarHBondContact O-CB 3.46Å; I19-S23 PolarHBondContact O-N 3.29Å
20F90.6Very high80.4Confident129 Ų12995.7 Ų95.757%0.56650%0.503SS*.Hα-helixtrans-62.4-49.8177.2179.1-97.3000111.7L16 A17 F18 S23 L24L16-F20 WeakPolarHBondContact O-CB 3.08Å; L16-F20 PolarHBondContact O-N 3.13Å; A17-F20 PolarHBondContact O-N 3.05Å; F18-F20 VanDerWaalsContact C-N 3.31Å; F18-F20 PolarHBondContact O-N 2.84Å; F20-S23 PolarHBondContact O-N 2.81Å; F20-L24 HydrophobicContact CE1-CD2 4.29Å; F20-L24 VanDerWaalsContact O-CB 3.28Å; F20-L24 WeakPolarHBondContact O-CB 3.49Å; F20-L24 PolarHBondContact O-N 3.21Å
21F89.3Confident80.6Confident135 Ų13598.4 Ų98.459%0.59251%0.508SS*.Hα-helixtrans-67.1-36.8178.4-74.5-62.2000112.6A17 F18 L24 S25A17-F21 HydrophobicContact CB-CE2 4.48Å; A17-F21 WeakPolarHBondContact O-CD2 3.03Å; A17-F21 PolarHBondContact O-N 3.1Å; F18-F21 PolarHBondContact O-N 2.87Å; F21-L24 PolarHBondContact O-N 3.38Å; F21-S25 WeakPolarHBondContact O-CB 3.34Å; F21-S25 PolarHBondContact O-N 3.37Å
22F89.9Confident79.8Confident129 Ų12998.1 Ų98.157%0.56650%0.5SS*.Hα-helixtrans-64.8-44174.4-178.9-96.3000111.5F18 I19 S25 S26F18-F22 WeakPolarHBondContact O-CB 3.1Å; F18-F22 PolarHBondContact O-N 3.21Å; I19-F22 PolarHBondContact O-N 3.37Å; F22-S25 PolarHBondContact O-N 3.31Å; F22-S26 VanDerWaalsContact O-CB 3.29Å; F22-S26 WeakPolarHBondContact O-CB 3Å; F22-S26 PolarHBondContact O-N 2.03Å; F22-S26 PolarHBondContact O-OG 2.82Å
23S84.3Confident79Confident62 Ų6297.7 Ų97.743%0.43449%0.49SS..Hα-helixtrans-64.7-43.9175.7-178.90000111.8I19 F20 S26 S27I19-S23 WeakPolarHBondContact O-CB 3.46Å; I19-S23 PolarHBondContact O-N 3.29Å; F20-S23 PolarHBondContact O-N 2.81Å; S23-S26 PolarHBondContact O-N 2.73Å; S23-S27 VanDerWaalsContact O-CB 3.29Å; S23-S27 WeakPolarHBondContact O-CB 3.26Å; S23-S27 PolarHBondContact O-N 2.74Å; S23-S27 PolarHBondContact O-OG 3.16Å
24L86Confident78Confident98 Ų9889.7 Ų89.751%0.51346%0.464SS..Hα-helixtrans-63.4-44.4176.7-175.165.9000111.4F20 F21 S27 C28F20-L24 HydrophobicContact CE1-CD2 4.29Å; F20-L24 VanDerWaalsContact O-CB 3.28Å; F20-L24 WeakPolarHBondContact O-CB 3.49Å; F20-L24 PolarHBondContact O-N 3.21Å; F21-L24 PolarHBondContact O-N 3.38Å; L24-S27 PolarHBondContact O-N 3.4Å; L24-C28 WeakPolarHBondContact O-CB 3.3Å; L24-C28 PolarHBondContact O-N 2.94Å
25S83.8Confident77.2Confident62 Ų6287.3 Ų87.343%0.43445%0.449SS..Hα-helixtrans-61.6-50.2175.3-178.70000111.2F21 F22 S27 C28 L29F21-S25 WeakPolarHBondContact O-CB 3.34Å; F21-S25 PolarHBondContact O-N 3.37Å; F22-S25 PolarHBondContact O-N 3.31Å; S25-S27 VanDerWaalsContact C-N 3.29Å; S25-S27 PolarHBondContact O-N 3.01Å; S25-C28 WeakPolarHBondContact O-CB 3.07Å; S25-C28 PolarHBondContact O-N 2.77Å; S25-C28 VanDerWaalsContact O-N 3.11Å; S25-L29 VanDerWaalsContact O-CG 3.3Å; S25-L29 WeakPolarHBondContact O-CG 3.32Å; S25-L29 PolarHBondContact O-N 3.08Å
26S76.4Confident76.3Confident47 Ų4785.3 Ų85.333%0.32944%0.441SS..Hα-helixtrans-60.4-39.3178.5-57.80000112F22 S23 L29 Y30F22-S26 VanDerWaalsContact O-CB 3.29Å; F22-S26 WeakPolarHBondContact O-CB 3Å; F22-S26 PolarHBondContact O-N 2.03Å; F22-S26 PolarHBondContact O-OG 2.82Å; S23-S26 PolarHBondContact O-N 2.73Å; S26-L29 PolarHBondContact O-N 2.62Å; S26-Y30 WeakPolarHBondContact O-CB 3.43Å; S26-Y30 PolarHBondContact O-N 3.24Å
27S75.2Confident75.2Confident50 Ų5080.8 Ų80.835%0.3542%0.423SS..Hα-helixtrans-66.5-42.7175.1-58.80000111.6S23 L24 S25 Y30 F31S23-S27 VanDerWaalsContact O-CB 3.29Å; S23-S27 WeakPolarHBondContact O-CB 3.26Å; S23-S27 PolarHBondContact O-N 2.74Å; S23-S27 PolarHBondContact O-OG 3.16Å; L24-S27 PolarHBondContact O-N 3.4Å; S25-S27 VanDerWaalsContact C-N 3.29Å; S25-S27 PolarHBondContact O-N 3.01Å; S27-Y30 WeakPolarHBondContact O-CB 3.3Å; S27-Y30 PolarHBondContact O-N 3.19Å; S27-F31 WeakPolarHBondContact O-CD2 3.46Å; S27-F31 PolarHBondContact O-N 3.18Å
28C71.8Confident74.2Confident68 Ų6882.9 Ų82.946%0.45943%0.428SS..Hα-helixtrans-61.9-45.3176.2-165.90000111.1L24 S25 Y30 F31 I32L24-C28 WeakPolarHBondContact O-CB 3.3Å; L24-C28 PolarHBondContact O-N 2.94Å; S25-C28 WeakPolarHBondContact O-CB 3.07Å; S25-C28 PolarHBondContact O-N 2.77Å; S25-C28 VanDerWaalsContact O-N 3.11Å; C28-Y30 VanDerWaalsContact C-N 3.33Å; C28-Y30 PolarHBondContact O-N 3.2Å; C28-F31 PolarHBondContact O-N 2.8Å; C28-I32 WeakPolarHBondContact O-CB 3.16Å; C28-I32 VanDerWaalsContact O-CG1 3.25Å; C28-I32 WeakPolarHBondContact O-CG1 3.36Å; C28-I32 PolarHBondContact O-N 3.16Å
29L70.5Confident73.1Confident84 Ų8479 Ų7944%0.4442%0.421SS..Hα-helixtrans-60.1-42.6173.6-65.3174.1000111.2S25 S26 F31 I32 Y33S25-L29 VanDerWaalsContact O-CG 3.3Å; S25-L29 WeakPolarHBondContact O-CG 3.32Å; S25-L29 PolarHBondContact O-N 3.08Å; S26-L29 PolarHBondContact O-N 2.62Å; L29-F31 PolarHBondContact O-N 3.23Å; L29-I32 PolarHBondContact O-N 2.99Å; L29-Y33 HydrophobicContact CB-CD2 4.15Å; L29-Y33 HydrophobicContact CD2-CD2 3.94Å; L29-Y33 HydrophobicContact CD2-CE2 3.49Å; L29-Y33 VanDerWaalsContact CD2-CE2 3.49Å; L29-Y33 WeakPolarHBondContact O-CB 3.4Å; L29-Y33 VanDerWaalsContact O-CD2 3.24Å; L29-Y33 WeakPolarHBondContact O-CD2 3.27Å; L29-Y33 PolarHBondContact O-N 2.92Å
30Y69.4Low72Confident110 Ų11076.5 Ų76.543%0.43141%0.408SS..Iπ-helixtrans-57.6-46.7174.6177.7-92.4000112.1S26 S27 C28 I32 V34 A35S26-Y30 WeakPolarHBondContact O-CB 3.43Å; S26-Y30 PolarHBondContact O-N 3.24Å; S27-Y30 WeakPolarHBondContact O-CB 3.3Å; S27-Y30 PolarHBondContact O-N 3.19Å; C28-Y30 VanDerWaalsContact C-N 3.33Å; C28-Y30 PolarHBondContact O-N 3.2Å; Y30-I32 VanDerWaalsContact C-N 3.33Å; Y30-I32 PolarHBondContact O-N 3.49Å; Y30-V34 HydrophobicContact CD2-CB 3.77Å; Y30-V34 HydrophobicContact CD2-CG1 3.97Å; Y30-V34 HydrophobicContact CD2-CG2 4.18Å; Y30-V34 HydrophobicContact CE2-CB 3.91Å; Y30-V34 HydrophobicContact CE2-CG1 3.6Å; Y30-V34 HydrophobicContact CG-CB 4.38Å; Y30-V34 WeakPolarHBondContact O-CA 3.05Å; Y30-V34 WeakPolarHBondContact O-CB 3.5Å; Y30-V34 PolarHBondContact O-N 3.35Å; Y30-A35 HydrophobicContact CD1-CB 4.5Å; Y30-A35 HydrophobicContact CE1-CB 4.26Å; Y30-A35 PolarHBondContact O-N 2.69Å
31F65.5Low71.1Confident142 Ų14272.4 Ų72.462%0.62339%0.394SS*.Iπ-helixtrans-69.4-27.9178.9-78-69.5000114S27 C28 L29 A35 P36S27-F31 WeakPolarHBondContact O-CD2 3.46Å; S27-F31 PolarHBondContact O-N 3.18Å; C28-F31 PolarHBondContact O-N 2.8Å; L29-F31 PolarHBondContact O-N 3.23Å; F31-A35 HydrophobicContact CD1-CB 3.86Å; F31-P36 WeakPolarHBondContact O-CD 3.35Å
32I59.7Low70.2Confident63 Ų6373.8 Ų73.832%0.32340%0.396SS..Iπ-helixtrans-81.5-42178.8-68.5167.1000111.7C28 L29 Y30C28-I32 WeakPolarHBondContact O-CB 3.16Å; C28-I32 VanDerWaalsContact O-CG1 3.25Å; C28-I32 WeakPolarHBondContact O-CG1 3.36Å; C28-I32 PolarHBondContact O-N 3.16Å; L29-I32 PolarHBondContact O-N 2.99Å; Y30-I32 VanDerWaalsContact C-N 3.33Å; Y30-I32 PolarHBondContact O-N 3.49Å
33Y56.8Low69.3Low117 Ų11771 Ų7146%0.45939%0.387SS..Iπ-helixtrans-104.8-34.3-167.3-65.8-74.8000113.8L29L29-Y33 HydrophobicContact CB-CD2 4.15Å; L29-Y33 HydrophobicContact CD2-CD2 3.94Å; L29-Y33 HydrophobicContact CD2-CE2 3.49Å; L29-Y33 VanDerWaalsContact CD2-CE2 3.49Å; L29-Y33 WeakPolarHBondContact O-CB 3.4Å; L29-Y33 VanDerWaalsContact O-CD2 3.24Å; L29-Y33 WeakPolarHBondContact O-CD2 3.27Å; L29-Y33 PolarHBondContact O-N 2.92Å
34V58.8Low68.8Low43 Ų4368.8 Ų68.826%0.26137%0.369SS..Iπ-helixtrans-106.9-46-171.5-176.70000112.1Y30 P36 G37 I38Y30-V34 HydrophobicContact CD2-CB 3.77Å; Y30-V34 HydrophobicContact CD2-CG1 3.97Å; Y30-V34 HydrophobicContact CD2-CG2 4.18Å; Y30-V34 HydrophobicContact CE2-CB 3.91Å; Y30-V34 HydrophobicContact CE2-CG1 3.6Å; Y30-V34 HydrophobicContact CG-CB 4.38Å; Y30-V34 WeakPolarHBondContact O-CA 3.05Å; Y30-V34 WeakPolarHBondContact O-CB 3.5Å; Y30-V34 PolarHBondContact O-N 3.35Å; V34-P36 VanDerWaalsContact C-CD 3.43Å; V34-G37 PolarHBondContact O-N 2.57Å; V34-I38 HydrophobicContact CG1-CD1 3.7Å; V34-I38 HydrophobicContact CG1-CG1 4.32Å; V34-I38 PolarHBondContact O-N 2.76Å
35A61.1Low68.3Low20 Ų2065.1 Ų65.117%0.16535%0.35CS..Hα-helixtrans-57.4-37.7-175.500000114.7Y30 F31 G37 I38 A39Y30-A35 HydrophobicContact CD1-CB 4.5Å; Y30-A35 HydrophobicContact CE1-CB 4.26Å; Y30-A35 PolarHBondContact O-N 2.69Å; F31-A35 HydrophobicContact CD1-CB 3.86Å; A35-G37 PolarHBondContact O-N 2.97Å; A35-I38 PolarHBondContact O-N 2.78Å; A35-A39 VanDerWaalsContact O-CB 3.22Å; A35-A39 WeakPolarHBondContact O-CB 3.39Å; A35-A39 PolarHBondContact O-N 3.09Å
36P62.8Low67.9Low43 Ų4365.5 Ų65.528%0.27935%0.349SS..Hα-helixtrans-62.4-39.6179-24.535.7000113.3F31 V34 A39 N40F31-P36 WeakPolarHBondContact O-CD 3.35Å; V34-P36 VanDerWaalsContact C-CD 3.43Å; P36-A39 PolarHBondContact O-N 3.32Å; P36-N40 WeakPolarHBondContact O-CB 3.39Å; P36-N40 PolarHBondContact O-N 3.19Å
37G62.9Low67.8Low23 Ų2365.7 Ų65.724%0.23735%0.345CS..Hα-helixtrans-67.9-42177.900000112.7V34 A35 N40 T41V34-G37 PolarHBondContact O-N 2.57Å; A35-G37 PolarHBondContact O-N 2.97Å; G37-N40 PolarHBondContact O-N 2.93Å; G37-T41 PolarHBondContact O-N 3.2Å; G37-T41 PolarHBondContact O-OG1 3.01Å
38I66.1Low67.7Low87 Ų8763.3 Ų63.345%0.44633%0.329SS..Hα-helixtrans-65-44.8175.2-63.2176.9000110.4V34 A35 N40 T41 Y42V34-I38 HydrophobicContact CG1-CD1 3.7Å; V34-I38 HydrophobicContact CG1-CG1 4.32Å; V34-I38 PolarHBondContact O-N 2.76Å; A35-I38 PolarHBondContact O-N 2.78Å; I38-N40 VanDerWaalsContact C-N 3.34Å; I38-N40 PolarHBondContact O-N 2.88Å; I38-T41 PolarHBondContact O-N 3.47Å; I38-Y42 WeakPolarHBondContact O-CB 3.24Å; I38-Y42 PolarHBondContact O-N 3.27Å
39A65.2Low67.7Low55 Ų5567.1 Ų67.146%0.45533%0.333SS..Hα-helixtrans-61-42.2177.800000111.6A35 P36 Y42 L43A35-A39 VanDerWaalsContact O-CB 3.22Å; A35-A39 WeakPolarHBondContact O-CB 3.39Å; A35-A39 PolarHBondContact O-N 3.09Å; P36-A39 PolarHBondContact O-N 3.32Å; A39-Y42 PolarHBondContact O-N 3.35Å; A39-L43 WeakPolarHBondContact O-CB 3.19Å; A39-L43 PolarHBondContact O-N 2.92Å
40N66.8Low67.4Low39 Ų3964.9 Ų64.921%0.20933%0.331CS..Hα-helixtrans-63-44.1175.2-75-11.2000111.9P36 G37 I38 L43 F44P36-N40 WeakPolarHBondContact O-CB 3.39Å; P36-N40 PolarHBondContact O-N 3.19Å; G37-N40 PolarHBondContact O-N 2.93Å; I38-N40 VanDerWaalsContact C-N 3.34Å; I38-N40 PolarHBondContact O-N 2.88Å; N40-L43 PolarHBondContact O-N 3.33Å; N40-F44 VanDerWaalsContact O-CB 3.24Å; N40-F44 WeakPolarHBondContact O-CB 3.21Å; N40-F44 PolarHBondContact O-N 3.39Å
41T69.9Low67.3Low43 Ų4363.2 Ų63.226%0.26433%0.328SS..Hα-helixtrans-63.4-43.4178-55.60000111.1G37 I38 F44 M45 Y256G37-T41 PolarHBondContact O-N 3.2Å; G37-T41 PolarHBondContact O-OG1 3.01Å; I38-T41 PolarHBondContact O-N 3.47Å; T41-F44 PolarHBondContact O-N 2.89Å; T41-M45 WeakPolarHBondContact O-CG 3.42Å; T41-M45 PolarHBondContact O-N 3.12Å; T41-Y256 HydrophobicContact CG2-CD1 4.17Å; T41-Y256 HydrophobicContact CG2-CE1 3.79Å
42Y70.3Confident66.9Low164 Ų16460.7 Ų60.764%0.64332%0.32SS*.Hα-helixtrans-66-47.6176.6-174.7-93.8000111.8I38 A39 F44 M45 V46I38-Y42 WeakPolarHBondContact O-CB 3.24Å; I38-Y42 PolarHBondContact O-N 3.27Å; A39-Y42 PolarHBondContact O-N 3.35Å; Y42-F44 VanDerWaalsContact C-N 3.29Å; Y42-F44 PolarHBondContact O-N 3.32Å; Y42-M45 PolarHBondContact O-N 3.18Å; Y42-M45 VanDerWaalsContact O-N 3.09Å; Y42-V46 HydrophobicContact CD1-CG2 3.94Å; Y42-V46 HydrophobicContact CE1-CG2 3.54Å; Y42-V46 WeakPolarHBondContact O-CG2 3.34Å; Y42-V46 PolarHBondContact O-N 3.08Å
43L71.8Confident67Low72 Ų7263.2 Ų63.238%0.37733%0.333SS..Hα-helixtrans-57.7-44.5176.6178.163.4000110.9A39 N40 M45 V46 Q47A39-L43 WeakPolarHBondContact O-CB 3.19Å; A39-L43 PolarHBondContact O-N 2.92Å; N40-L43 PolarHBondContact O-N 3.33Å; L43-M45 VanDerWaalsContact C-N 3.34Å; L43-M45 PolarHBondContact O-N 3.27Å; L43-V46 PolarHBondContact O-N 3.17Å; L43-Q47 HydrophobicContact CD1-CG 4.46Å; L43-Q47 WeakPolarHBondContact O-CB 3.03Å; L43-Q47 VanDerWaalsContact O-CG 3.28Å; L43-Q47 WeakPolarHBondContact O-CG 3.24Å; L43-Q47 PolarHBondContact O-N 2.99Å
44F74.5Confident67.3Low14 Ų1465.6 Ų65.66%0.06134%0.341CS..Hα-helixtrans-58.8-45.9174.2175.4-101.5000111.7N40 T41 Y42 V46 Q47 A48 Y256 P261 Y262 F265 W290N40-F44 VanDerWaalsContact O-CB 3.24Å; N40-F44 WeakPolarHBondContact O-CB 3.21Å; N40-F44 PolarHBondContact O-N 3.39Å; T41-F44 PolarHBondContact O-N 2.89Å; Y42-F44 VanDerWaalsContact C-N 3.29Å; Y42-F44 PolarHBondContact O-N 3.32Å; F44-V46 VanDerWaalsContact C-N 3.33Å; F44-V46 PolarHBondContact O-N 3.41Å; F44-Q47 WeakPolarHBondContact O-CB 3.42Å; F44-Q47 PolarHBondContact O-N 2.89Å; F44-A48 VanDerWaalsContact O-CB 3.23Å; F44-A48 WeakPolarHBondContact O-CB 3.39Å; F44-A48 PolarHBondContact O-N 2.99Å; F44-Y256 HydrophobicContact CD1-CD1 4.41Å; F44-Y256 AromaticContact CD1-CE1 3.56Å; F44-Y256 HydrophobicContact CD1-CE1 3.56Å; F44-Y256 AromaticContact CD1-CZ 3.76Å; F44-Y256 AromaticContact CE1-CE1 3.77Å; F44-Y256 HydrophobicContact CE1-CE1 3.77Å; F44-Y256 HydrophobicContact CE1-CE2 4.18Å; F44-Y256 AromaticContact CE1-CZ 3.57Å; F44-P261 HydrophobicContact CE1-CB 3.7Å; F44-P261 HydrophobicContact CE1-CG 3.75Å; F44-P261 HydrophobicContact CZ-CB 4.05Å; F44-P261 HydrophobicContact CZ-CG 4.29Å; F44-Y262 HydrophobicContact CE1-CE1 4.47Å; F44-Y262 AromaticContact CE2-CE1 3.83Å; F44-Y262 HydrophobicContact CE2-CE1 3.83Å; F44-Y262 AromaticContact CZ-CE1 3.57Å; F44-Y262 HydrophobicContact CZ-CE1 3.57Å; F44-F265 HydrophobicContact CE1-CE2 4.39Å; F44-F265 AromaticContact CZ-CD2 3.9Å; F44-F265 HydrophobicContact CZ-CD2 3.9Å; F44-F265 AromaticContact CZ-CE2 3.84Å; F44-F265 HydrophobicContact CZ-CE2 3.84Å; F44-W290 HydrophobicContact CB-CH2 3.84Å; F44-W290 AromaticContact CD2-CH2 3.59Å; F44-W290 HydrophobicContact CD2-CH2 3.59Å; F44-W290 HydrophobicContact CD2-CZ2 4.38Å; F44-W290 HydrophobicContact CD2-CZ3 4.46Å; F44-W290 HydrophobicContact CE2-CH2 4.38Å; F44-W290 AromaticContact CG-CH2 3.9Å; F44-W290 HydrophobicContact CG-CH2 3.9Å
45M75.9Confident67.4Low22 Ų2267.2 Ų67.211%0.10835%0.346CS..Hα-helixtrans-64.9-36.4178.2-78.3-92.851.200112.9T41 Y42 L43 A48 R49 Y256 P261T41-M45 WeakPolarHBondContact O-CG 3.42Å; T41-M45 PolarHBondContact O-N 3.12Å; Y42-M45 PolarHBondContact O-N 3.18Å; Y42-M45 VanDerWaalsContact O-N 3.09Å; L43-M45 VanDerWaalsContact C-N 3.34Å; L43-M45 PolarHBondContact O-N 3.27Å; M45-A48 HydrophobicContact CE-CB 3.96Å; M45-R49 WeakPolarHBondContact O-CB 3.38Å; M45-R49 VanDerWaalsContact O-CG 3.3Å; M45-R49 WeakPolarHBondContact O-CG 3.48Å; M45-R49 PolarHBondContact O-N 3.19Å; M45-Y256 HydrophobicContact CG-CD1 3.74Å; M45-Y256 HydrophobicContact CG-CE1 4.22Å; M45-Y256 HydrophobicContact SD-CD1 3.67Å; M45-Y256 HydrophobicContact SD-CG 4.13Å; M45-P261 HydrophobicContact CE-CB 4.09Å
46V74.4Confident67.4Low69 Ų6970.5 Ų70.542%0.41836%0.361SS..Hα-helixtrans-65.6-45.5172.8172.30000110.7Y42 L43 F44 R49 G50Y42-V46 HydrophobicContact CD1-CG2 3.94Å; Y42-V46 HydrophobicContact CE1-CG2 3.54Å; Y42-V46 WeakPolarHBondContact O-CG2 3.34Å; Y42-V46 PolarHBondContact O-N 3.08Å; L43-V46 PolarHBondContact O-N 3.17Å; F44-V46 VanDerWaalsContact C-N 3.33Å; F44-V46 PolarHBondContact O-N 3.41Å; V46-R49 PolarHBondContact O-N 2.94Å; V46-G50 PolarHBondContact O-N 2.96Å
47Q74.9Confident67.4Low51 Ų5173.2 Ų73.224%0.23838%0.377CS..Hα-helixtrans-59.4-47.2175.5-73.3173.9-11.700111.2L43 F44 G50 I51L43-Q47 HydrophobicContact CD1-CG 4.46Å; L43-Q47 WeakPolarHBondContact O-CB 3.03Å; L43-Q47 VanDerWaalsContact O-CG 3.28Å; L43-Q47 WeakPolarHBondContact O-CG 3.24Å; L43-Q47 PolarHBondContact O-N 2.99Å; F44-Q47 WeakPolarHBondContact O-CB 3.42Å; F44-Q47 PolarHBondContact O-N 2.89Å; Q47-G50 WeakPolarHBondContact O-CA 3.4Å; Q47-G50 PolarHBondContact O-N 3.4Å; Q47-G50 VanDerWaalsContact O-N 3.14Å; Q47-I51 WeakPolarHBondContact O-CG1 3.37Å; Q47-I51 PolarHBondContact O-N 3.34Å
48A71.6Confident67.3Low1 Ų176.8 Ų76.81%0.00839%0.386CS..Hα-helixtrans-58.1-48176.700000112.3F44 M45 G50 I51 M52 P261 Y262F44-A48 VanDerWaalsContact O-CB 3.23Å; F44-A48 WeakPolarHBondContact O-CB 3.39Å; F44-A48 PolarHBondContact O-N 2.99Å; M45-A48 HydrophobicContact CE-CB 3.96Å; A48-G50 VanDerWaalsContact C-N 3.3Å; A48-G50 PolarHBondContact O-N 2.84Å; A48-I51 WeakPolarHBondContact O-CB 3.22Å; A48-I51 PolarHBondContact O-N 3.1Å; A48-M52 WeakPolarHBondContact O-CG 3.06Å; A48-M52 PolarHBondContact O-N 2.94Å; A48-P261 HydrophobicContact CB-CB 4.01Å; A48-Y262 HydrophobicContact CB-CD1 3.61Å; A48-Y262 HydrophobicContact CB-CE1 4.11Å
49R71.9Confident67Low147 Ų14776.5 Ų76.556%0.55539%0.388SS*.Hα-helixtrans-62.7-37.6174.5-74.6179.5178.8-164.20.5112M45 V46 M52 L53M45-R49 WeakPolarHBondContact O-CB 3.38Å; M45-R49 VanDerWaalsContact O-CG 3.3Å; M45-R49 WeakPolarHBondContact O-CG 3.48Å; M45-R49 PolarHBondContact O-N 3.19Å; V46-R49 PolarHBondContact O-N 2.94Å; R49-M52 PolarHBondContact O-N 3.34Å; R49-L53 WeakPolarHBondContact O-CG 3.41Å; R49-L53 PolarHBondContact O-N 3.45Å
50G65.7Low67Low37 Ų3778.6 Ų78.638%0.38139%0.391SS..Hα-helixtrans-61.7-41.5173.800000112.8V46 Q47 A48 L53 R54V46-G50 PolarHBondContact O-N 2.96Å; Q47-G50 WeakPolarHBondContact O-CA 3.4Å; Q47-G50 PolarHBondContact O-N 3.4Å; Q47-G50 VanDerWaalsContact O-N 3.14Å; A48-G50 VanDerWaalsContact C-N 3.3Å; A48-G50 PolarHBondContact O-N 2.84Å; G50-L53 PolarHBondContact O-N 2.03Å; G50-R54 WeakPolarHBondContact O-CB 3.24Å; G50-R54 PolarHBondContact O-N 3.37Å
51I66.2Low66.5Low75 Ų7578.5 Ų78.539%0.38540%0.398SS..Hα-helixtrans-61.5-49.4173.8-66.6164.1000109.9Q47 A48 L53 R54 E55Q47-I51 WeakPolarHBondContact O-CG1 3.37Å; Q47-I51 PolarHBondContact O-N 3.34Å; A48-I51 WeakPolarHBondContact O-CB 3.22Å; A48-I51 PolarHBondContact O-N 3.1Å; I51-L53 VanDerWaalsContact C-N 3.34Å; I51-L53 PolarHBondContact O-N 2.79Å; I51-R54 PolarHBondContact O-N 2.96Å; I51-R54 VanDerWaalsContact O-N 3.14Å; I51-E55 HydrophobicContact CG2-CG 4.36Å; I51-E55 WeakPolarHBondContact O-CG 3.48Å; I51-E55 PolarHBondContact O-N 3.31Å
52M57Low66Low90 Ų9082 Ų8244%0.44341%0.412SS..Hα-helixtrans-57-44.9177.1-71.2-112.8-64.700112.5A48 R49 E55 N56A48-M52 WeakPolarHBondContact O-CG 3.06Å; A48-M52 PolarHBondContact O-N 2.94Å; R49-M52 PolarHBondContact O-N 3.34Å; M52-E55 PolarHBondContact O-N 3.17Å; M52-N56 WeakPolarHBondContact O-CB 3.09Å; M52-N56 PolarHBondContact O-N 3.24Å; M52-N56 PolarHBondContact O-ND2 3Å
53L62.8Low65.3Low115 Ų11578.7 Ų78.760%0.60240%0.403SS*.Hα-helixtrans-61.9-44.8176.1-74.2169000111.5R49 G50 I51 N56 V57R49-L53 WeakPolarHBondContact O-CG 3.41Å; R49-L53 PolarHBondContact O-N 3.45Å; G50-L53 PolarHBondContact O-N 2.03Å; I51-L53 VanDerWaalsContact C-N 3.34Å; I51-L53 PolarHBondContact O-N 2.79Å; L53-N56 PolarHBondContact O-N 3.1Å; L53-V57 WeakPolarHBondContact O-CB 3.23Å; L53-V57 VanDerWaalsContact O-CG2 3.23Å; L53-V57 WeakPolarHBondContact O-CG2 3.42Å; L53-V57 PolarHBondContact O-N 2.75Å
54R63.5Low64.8Low167 Ų16780 Ų8063%0.6341%0.409SS*.Hα-helixtrans-62.6-43.2178.2-173.4-177.4-178.5-160.51.5111.8G50 I51 V57 K58G50-R54 WeakPolarHBondContact O-CB 3.24Å; G50-R54 PolarHBondContact O-N 3.37Å; I51-R54 PolarHBondContact O-N 2.96Å; I51-R54 VanDerWaalsContact O-N 3.14Å; R54-V57 PolarHBondContact O-N 2.98Å; R54-K58 WeakPolarHBondContact O-CG 2.96Å; R54-K58 PolarHBondContact O-N 2.95Å
55E60.8Low64.1Low77 Ų7787.4 Ų87.436%0.3644%0.437SS..Hα-helixtrans-67.9-39.6177.6-70.2-53.5132.400112I51 M52 V57 K58 T59I51-E55 HydrophobicContact CG2-CG 4.36Å; I51-E55 WeakPolarHBondContact O-CG 3.48Å; I51-E55 PolarHBondContact O-N 3.31Å; M52-E55 PolarHBondContact O-N 3.17Å; E55-V57 PolarHBondContact O-N 2.94Å; E55-K58 PolarHBondContact O-N 2.86Å; E55-K58 IonicContact OE1-NZ 3.57Å; E55-K58 PolarHBondContact OE1-NZ 2.97Å; E55-K58 IonicContact OE2-NZ 2.62Å; E55-T59 WeakPolarHBondContact O-CB 3.42Å; E55-T59 PolarHBondContact O-N 2.9Å; E55-T59 PolarHBondContact O-OG1 3.3Å
56N60.6Low63.2Low89 Ų8990.6 Ų90.648%0.47645%0.454SS..Hα-helixtrans-61.7-44172.5-72.9-13.1000111.3M52 L53 T59 I60M52-N56 WeakPolarHBondContact O-CB 3.09Å; M52-N56 PolarHBondContact O-N 3.24Å; M52-N56 PolarHBondContact O-ND2 3Å; L53-N56 PolarHBondContact O-N 3.1Å; N56-T59 PolarHBondContact O-N 2.87Å; N56-I60 WeakPolarHBondContact O-CB 3.45Å; N56-I60 WeakPolarHBondContact O-CD1 3.31Å; N56-I60 WeakPolarHBondContact O-CG1 3.4Å; N56-I60 PolarHBondContact O-N 2.91Å
57V62.5Low62.1Low101 Ų10194.8 Ų94.861%0.61246%0.463SS*.Hα-helixtrans-64.6-41176.3171.70000111.6L53 R54 E55 G61L53-V57 WeakPolarHBondContact O-CB 3.23Å; L53-V57 VanDerWaalsContact O-CG2 3.23Å; L53-V57 WeakPolarHBondContact O-CG2 3.42Å; L53-V57 PolarHBondContact O-N 2.75Å; R54-V57 PolarHBondContact O-N 2.98Å; E55-V57 PolarHBondContact O-N 2.94Å; V57-G61 PolarHBondContact O-N 3.26Å
58K60.8Low61.2Low98 Ų9896 Ų9643%0.42647%0.474SS..Hα-helixtrans-62.2-43.9173.6-76.9174.8-177.3174.40111.7R54 E55 G61 H62R54-K58 WeakPolarHBondContact O-CG 2.96Å; R54-K58 PolarHBondContact O-N 2.95Å; E55-K58 PolarHBondContact O-N 2.86Å; E55-K58 IonicContact OE1-NZ 3.57Å; E55-K58 PolarHBondContact OE1-NZ 2.97Å; E55-K58 IonicContact OE2-NZ 2.62Å; K58-G61 PolarHBondContact O-N 3.4Å; K58-H62 WeakPolarHBondContact O-CB 3.18Å; K58-H62 PolarHBondContact O-N 3.27Å
59T60.9Low60.3Low80 Ų80100.3 Ų100.349%0.49150%0.497SS..Hα-helixtrans-64.8-46.1179.3-56.50000110.5E55 N56 G61 H62 M63E55-T59 WeakPolarHBondContact O-CB 3.42Å; E55-T59 PolarHBondContact O-N 2.9Å; E55-T59 PolarHBondContact O-OG1 3.3Å; N56-T59 PolarHBondContact O-N 2.87Å; T59-G61 VanDerWaalsContact C-N 3.33Å; T59-G61 PolarHBondContact O-N 3.06Å; T59-H62 PolarHBondContact O-N 3.24Å; T59-M63 WeakPolarHBondContact O-CB 3.27Å; T59-M63 VanDerWaalsContact O-CG 3.31Å; T59-M63 WeakPolarHBondContact O-CG 3.49Å; T59-M63 PolarHBondContact O-N 3.1Å
60I63.2Low59.2Low100 Ų100100.9 Ų100.951%0.51350%0.504SS..Hα-helixtrans-60-44.9173.1-69.9164.6000110.1N56 H62 M63 I64N56-I60 WeakPolarHBondContact O-CB 3.45Å; N56-I60 WeakPolarHBondContact O-CD1 3.31Å; N56-I60 WeakPolarHBondContact O-CG1 3.4Å; N56-I60 PolarHBondContact O-N 2.91Å; I60-H62 VanDerWaalsContact C-N 3.33Å; I60-H62 PolarHBondContact O-N 3.44Å; I60-M63 PolarHBondContact O-N 3.35Å; I60-I64 HydrophobicContact CG2-CD1 3.65Å; I60-I64 HydrophobicContact CG2-CG1 4.24Å; I60-I64 WeakPolarHBondContact O-CB 3.17Å; I60-I64 VanDerWaalsContact O-CG1 3.23Å; I60-I64 WeakPolarHBondContact O-CG1 3.27Å; I60-I64 PolarHBondContact O-N 3.13Å
61G56.8Low58.4Low36 Ų36105.8 Ų105.837%0.37152%0.521SS..Hα-helixtrans-61-39.7176.300000113V57 K58 T59 R65V57-G61 PolarHBondContact O-N 3.26Å; K58-G61 PolarHBondContact O-N 3.4Å; T59-G61 VanDerWaalsContact C-N 3.33Å; T59-G61 PolarHBondContact O-N 3.06Å; G61-R65 WeakPolarHBondContact O-CB 3.39Å; G61-R65 PolarHBondContact O-N 3.21Å
62H60.3Low57.6Low118 Ų118106.4 Ų106.455%0.54653%0.532SS..Hα-helixtrans-67.7-42.4174.7-169.8-100.1000111.8K58 T59 I60 R65 L66K58-H62 WeakPolarHBondContact O-CB 3.18Å; K58-H62 PolarHBondContact O-N 3.27Å; T59-H62 PolarHBondContact O-N 3.24Å; I60-H62 VanDerWaalsContact C-N 3.33Å; I60-H62 PolarHBondContact O-N 3.44Å; H62-R65 PolarHBondContact O-N 3.4Å; H62-L66 WeakPolarHBondContact O-CG 3.36Å; H62-L66 PolarHBondContact O-N 3.15Å
63M55.1Low57.2Low94 Ų94106.8 Ų106.846%0.46354%0.54SS..Hα-helixtrans-61.4-45.9173.6-74.3-65.3-66.300111.6T59 I60 R65 L66 Y67T59-M63 WeakPolarHBondContact O-CB 3.27Å; T59-M63 VanDerWaalsContact O-CG 3.31Å; T59-M63 WeakPolarHBondContact O-CG 3.49Å; T59-M63 PolarHBondContact O-N 3.1Å; I60-M63 PolarHBondContact O-N 3.35Å; M63-R65 VanDerWaalsContact C-N 3.3Å; M63-R65 PolarHBondContact O-N 3.32Å; M63-L66 PolarHBondContact O-N 3.48Å; M63-Y67 HydrophobicContact CE-CE2 4.27Å; M63-Y67 WeakPolarHBondContact O-CD2 3.35Å; M63-Y67 PolarHBondContact O-N 2.87Å
64I62.4Low56.1Low98 Ų98109.2 Ų109.250%0.50355%0.553SS.*Hα-helixtrans-59.6-43.5174.4-69.7167.9000109.8I60 L66 Y67 T68I60-I64 HydrophobicContact CG2-CD1 3.65Å; I60-I64 HydrophobicContact CG2-CG1 4.24Å; I60-I64 WeakPolarHBondContact O-CB 3.17Å; I60-I64 VanDerWaalsContact O-CG1 3.23Å; I60-I64 WeakPolarHBondContact O-CG1 3.27Å; I60-I64 PolarHBondContact O-N 3.13Å; I64-L66 PolarHBondContact O-N 3.25Å; I64-Y67 PolarHBondContact O-N 3.2Å; I64-T68 HydrophobicContact CG2-CG2 4.22Å; I64-T68 WeakPolarHBondContact O-CG2 3.37Å; I64-T68 PolarHBondContact O-N 2.94Å; I64-T68 PolarHBondContact O-OG1 3.24Å; I64-T68 VanDerWaalsContact O-OG1 3.05Å
65R59.7Low55.4Low171 Ų171109.4 Ų109.465%0.64557%0.566SS**Hα-helixtrans-65.2-36.7178.2-165.4174.9-173.8174.60.6113G61 H62 M63 T68 N69G61-R65 WeakPolarHBondContact O-CB 3.39Å; G61-R65 PolarHBondContact O-N 3.21Å; H62-R65 PolarHBondContact O-N 3.4Å; M63-R65 VanDerWaalsContact C-N 3.3Å; M63-R65 PolarHBondContact O-N 3.32Å; R65-T68 WeakPolarHBondContact CA-OG1 3.46Å; R65-T68 PolarHBondContact O-OG1 2.97Å; R65-N69 WeakPolarHBondContact O-CB 3.24Å; R65-N69 VanDerWaalsContact O-CG 3.25Å; R65-N69 PolarHBondContact O-N 2.87Å
66L56.4Low54.1Low88 Ų88109.1 Ų109.146%0.46158%0.584SS.*Hα-helixtrans-67.6-39.5172.8-73.9169.9000111.5H62 M63 I64 K70H62-L66 WeakPolarHBondContact O-CG 3.36Å; H62-L66 PolarHBondContact O-N 3.15Å; M63-L66 PolarHBondContact O-N 3.48Å; I64-L66 PolarHBondContact O-N 3.25Å; L66-K70 WeakPolarHBondContact O-CB 3.45Å; L66-K70 PolarHBondContact O-N 3.15Å
67Y51.3Low53.5Low157 Ų157111.4 Ų111.462%0.61660%0.601SS**Hα-helixtrans-67-44.1174.4-97.8-83.8000112.5M63 I64 K70 N71M63-Y67 HydrophobicContact CE-CE2 4.27Å; M63-Y67 WeakPolarHBondContact O-CD2 3.35Å; M63-Y67 PolarHBondContact O-N 2.87Å; I64-Y67 PolarHBondContact O-N 3.2Å; Y67-K70 PolarHBondContact O-N 2.75Å; Y67-N71 PolarHBondContact O-N 3.3Å
68T56.8Low52.1Low77 Ų77114.1 Ų114.147%0.47261%0.612SS.*Hα-helixtrans-70.3-34.8178.553.60000112.2I64 R65 N71 S72I64-T68 HydrophobicContact CG2-CG2 4.22Å; I64-T68 WeakPolarHBondContact O-CG2 3.37Å; I64-T68 PolarHBondContact O-N 2.94Å; I64-T68 PolarHBondContact O-OG1 3.24Å; I64-T68 VanDerWaalsContact O-OG1 3.05Å; R65-T68 WeakPolarHBondContact CA-OG1 3.46Å; R65-T68 PolarHBondContact O-OG1 2.97Å; T68-N71 PolarHBondContact O-N 3.31Å; T68-S72 PolarHBondContact O-N 3.34Å
69N51.7Low51.1Low92 Ų92120.5 Ų120.549%0.49264%0.635SS.*Hα-helixtrans-73.8-28.1172.6-76.8-9.5000113.3R65 S72R65-N69 WeakPolarHBondContact O-CB 3.24Å; R65-N69 VanDerWaalsContact O-CG 3.25Å; R65-N69 PolarHBondContact O-N 2.87Å; N69-S72 PolarHBondContact O-OG 3.39Å
70K49.6Very low50.1Low158 Ų158122.7 Ų122.769%0.68765%0.651SS**Hα-helixtrans-69.9-38.1170-96.8-174.4170-174.80111.6L66 Y67 S72 T73L66-K70 WeakPolarHBondContact O-CB 3.45Å; L66-K70 PolarHBondContact O-N 3.15Å; Y67-K70 PolarHBondContact O-N 2.75Å; K70-S72 PolarHBondContact O-N 3.25Å; K70-T73 CarbonylContact O-C 3.57Å; K70-T73 PolarHBondContact O-N 2.83Å; K70-T73 VanDerWaalsContact O-O 3.08Å
71N47.8Very low48.7Very low140 Ų140127 Ų12775%0.74967%0.669SS**THydrogen-bonded Turntrans-71.3-11.4178.9-77.5-3000114.3Y67 T68Y67-N71 PolarHBondContact O-N 3.3Å; T68-N71 PolarHBondContact O-N 3.31Å
72S50.4Low47.6Very low89 Ų89128.6 Ų128.662%0.62269%0.685SS**THydrogen-bonded Turntrans-90.2-6172.653.40000113.8T68 N69 K70T68-S72 PolarHBondContact O-N 3.34Å; N69-S72 PolarHBondContact O-OG 3.39Å; K70-S72 PolarHBondContact O-N 3.25Å
73T48.1Very low46.1Very low97 Ų97130.9 Ų130.960%0.59570%0.701SS**SBendtrans-134.2103.4176.852.80000111.2K70K70-T73 CarbonylContact O-C 3.57Å; K70-T73 PolarHBondContact O-N 2.83Å; K70-T73 VanDerWaalsContact O-O 3.08Å
74L39.6Very low45.2Very low167 Ų167133.8 Ų133.887%0.87472%0.718SS**  trans77.7120.4169.4-92.886.4000119.5
75N48.1Very low43.6Very low170 Ų170133.8 Ų133.891%0.90973%0.727SS**  trans-51.5126.9145.5-79.1-23.8000110.1
76G34.9Very low42.3Very low71 Ų71130 Ų13073%0.73273%0.727SS**  trans173.5100.517200000110.7D78G76-D78 PolarHBondContact O-N 3.41Å
77T46.9Very low41Very low137 Ų137132.4 Ų132.484%0.8474%0.74SS**  trans-67.7112.4164.744.30000108.7
78D34.4Very low40Very low158 Ų158134.9 Ų134.985%0.84575%0.75SS**  trans-155117.8156.3-91.9-32000109.3G76G76-D78 PolarHBondContact O-N 3.41Å
79Y38.6Very low38.7Very low232 Ų232138.5 Ų138.591%0.9177%0.765SS**  trans-85.6126166.4-81-91.4000108.3
80P39.6Very low37.8Very low126 Ų126140.1 Ų140.182%0.81878%0.778SS**  trans-91105.4157.9126.4000108.6
81E35.1Very low36.8Very low192 Ų192140.7 Ų140.790%0.89778%0.784SS**  trans-60.3144.6148.1-84.9-17415200109.9
82G33.5Very low36.2Very low68 Ų68139.4 Ų139.470%0.70178%0.781SS**  trans87.1111.6157.900000115.5
83N27.8Very low35.8Very low167 Ų167139.7 Ų139.789%0.89378%0.779SS**  -147.4121.5123.7-116.4-12.7000111.7S85N83-S85 PolarHBondContact O-N 3.22Å
84N37.4Very low36.3Very low154 Ų154141 Ų14182%0.82479%0.787SS**  trans-52.6112.5172.7-68.3-39.5000109.9S86N84-S86 VanDerWaalsContact C-N 3.3Å; N84-S86 PolarHBondContact O-N 2.79Å; N84-S86 VanDerWaalsContact O-N 3.15Å
85S28.8Very low37.5Very low99 Ų99136.9 Ų136.969%0.69276%0.76SS**  trans-73.997.615052.60000106.1N83 D87N83-S85 PolarHBondContact O-N 3.22Å; S85-D87 PolarHBondContact O-N 3.43Å
86S31.3Very low38.4Very low90 Ų90131 Ų13163%0.62973%0.728SS**  trans-55.295.8154.7490000106.8N84 Y88N84-S86 VanDerWaalsContact C-N 3.3Å; N84-S86 PolarHBondContact O-N 2.79Å; N84-S86 VanDerWaalsContact O-N 3.15Å; S86-Y88 VanDerWaalsContact C-N 3.26Å; S86-Y88 PolarHBondContact O-N 2.9Å
87D30Very low39.8Very low139 Ų139131.8 Ų131.874%0.74372%0.721SS**  trans-54.299.2163.8-79.7-24.6000106S85 L89S85-D87 PolarHBondContact O-N 3.43Å; D87-L89 PolarHBondContact O-N 2.81Å
88Y29.5Very low40.5Very low210 Ų210133.3 Ų133.382%0.82472%0.719SS**  trans-62.493.5156.7-84.8-85.9000104.8S86 V90S86-Y88 VanDerWaalsContact C-N 3.26Å; S86-Y88 PolarHBondContact O-N 2.9Å; Y88-V90 PolarHBondContact O-N 2.99Å
89L30.1Very low42Very low152 Ų152133 Ų13380%0.79672%0.717SS**  trans-54.989.8167.4-156.193.9000105.9D87 Q91D87-L89 PolarHBondContact O-N 2.81Å; L89-Q91 VanDerWaalsContact C-N 3.29Å; L89-Q91 PolarHBondContact O-N 3.31Å
90V32.4Very low43.5Very low126 Ų126125.8 Ų125.876%0.76469%0.69SS**  trans-59.7106167.8174.80000103.8Y88 T92Y88-V90 PolarHBondContact O-N 2.99Å; V90-T92 PolarHBondContact O-N 3.2Å
91Q29.1Very low44.8Very low171 Ų171125.7 Ų125.780%0.79969%0.688SS**  trans-53.3103.8-176.1-143.5171.4-0.300107L89 T93L89-Q91 VanDerWaalsContact C-N 3.29Å; L89-Q91 PolarHBondContact O-N 3.31Å; Q91-T93 VanDerWaalsContact C-N 3.32Å; Q91-T93 PolarHBondContact O-N 3.34Å
92T33.8Very low46.8Very low112 Ų112118.9 Ų118.969%0.68765%0.654SS**  trans-6499.8177.623.90000105.9V90 T94V90-T92 PolarHBondContact O-N 3.2Å; T92-T94 PolarHBondContact O-N 3.27Å
93T42.1Very low48.9Very low96 Ų96117.6 Ų117.659%0.58963%0.634SS**  trans-53.6108.8170.946.40000107Q91 K111Q91-T93 VanDerWaalsContact C-N 3.32Å; Q91-T93 PolarHBondContact O-N 3.34Å; T93-K111 VanDerWaalsContact O-CD 3.29Å; T93-K111 WeakPolarHBondContact O-CD 3.35Å; T93-K111 PolarHBondContact O-NZ 2.97Å; T93-K111 VanDerWaalsContact O-NZ 3.13Å; T93-K111 PolarHBondContact OG1-NZ 3.28Å
94T59.4Low51.5Low123 Ų123113.1 Ų113.176%0.75561%0.614SS**PPolyproline II helixtrans-62.9144.8179.246.50000108.6T92 L96T92-T94 PolarHBondContact O-N 3.27Å; T94-L96 PolarHBondContact O-N 3.02Å
95Y65.5Low53.7Low81 Ų81115.6 Ų115.632%0.31861%0.614SS.*PPolyproline II helixtrans-51.6138.2172.2-70.9-89.9000109.7K111 L112 M115 R237Y95-K111 HydrophobicContact CD1-CB 3.85Å; Y95-K111 HydrophobicContact CE1-CB 3.87Å; Y95-K111 HydrophobicContact CE1-CG 4.33Å; Y95-K111 HydrophobicContact CG-CB 4.47Å; Y95-L112 WeakPolarHBondContact CD1-O 3.38Å; Y95-M115 HydrophobicContact CE1-CB 4.34Å; Y95-M115 HydrophobicContact CE1-SD 4.41Å; Y95-R237 HydrophobicContact CE1-CG 4.27Å; Y95-R237 WeakPolarHBondContact OH-CD 3.29Å; Y95-R237 VanDerWaalsContact OH-CG 3.3Å; Y95-R237 WeakPolarHBondContact OH-CG 3.34Å; Y95-R237 PolarHBondContact OH-NE 3.16Å
96L65.6Low56.5Low46 Ų46116 Ų11624%0.24161%0.607CS.*PPolyproline II helixtrans-61.5151.1179.1-71.8170.6000110.9T94 F100 P109 P113T94-L96 PolarHBondContact O-N 3.02Å; L96-F100 HydrophobicContact CB-CB 4.23Å; L96-F100 HydrophobicContact CB-CG 4.35Å; L96-F100 HydrophobicContact CD1-CD1 3.85Å; L96-F100 HydrophobicContact CD1-CD2 4.23Å; L96-F100 HydrophobicContact CD1-CE1 4Å; L96-F100 HydrophobicContact CD1-CE2 4.38Å; L96-F100 HydrophobicContact CD1-CG 3.96Å; L96-F100 HydrophobicContact CD1-CZ 4.26Å; L96-F100 HydrophobicContact CD2-CD2 3.95Å; L96-F100 HydrophobicContact CD2-CE2 4.06Å; L96-F100 HydrophobicContact CD2-CG 4.41Å; L96-F100 HydrophobicContact CG-CG 4.5Å; L96-P109 HydrophobicContact CD1-CB 3.39Å; L96-P109 HydrophobicContact CD1-CG 3.19Å; L96-P113 WeakPolarHBondContact O-CB 3.35Å; L96-P113 WeakPolarHBondContact O-CD 3.24Å; L96-P113 WeakPolarHBondContact O-CG 3.43Å
97P65.8Low59.2Low88 Ų88115.1 Ų115.157%0.57160%0.599SS**PPolyproline II helixtrans-63.2150.9174.526.2-33.3000111.4N99 F100P97-N99 PolarHBondContact O-N 3.18Å; P97-N99 VanDerWaalsContact O-N 3.1Å; P97-F100 WeakPolarHBondContact O-CB 3.02Å; P97-F100 PolarHBondContact O-N 3.45Å
98E62Low62Low170 Ų170108.5 Ų108.579%0.79456%0.564SS**THydrogen-bonded Turntrans-57-29.2-176.4-68.1-174.8164.700113.7F100 P113E98-F100 VanDerWaalsContact C-N 3.31Å; E98-F100 PolarHBondContact O-N 3.03Å; E98-P113 HydrophobicContact CG-CB 4.08Å
99N65.1Low64.8Low150 Ų15099.6 Ų99.680%0.80253%0.532SS*.THydrogen-bonded Turntrans-90.917-178.9-62-15.8000113.6P97 T101P97-N99 PolarHBondContact O-N 3.18Å; P97-N99 VanDerWaalsContact O-N 3.1Å; N99-T101 PolarHBondContact O-N 3.27Å
100F68.9Low67.4Low81 Ų8195.8 Ų95.836%0.35551%0.51SS..PPolyproline II helixtrans-65.4119.6177.9-172.4-95.4000110.6L96 P97 E98 Y102 P109L96-F100 HydrophobicContact CB-CB 4.23Å; L96-F100 HydrophobicContact CB-CG 4.35Å; L96-F100 HydrophobicContact CD1-CD1 3.85Å; L96-F100 HydrophobicContact CD1-CD2 4.23Å; L96-F100 HydrophobicContact CD1-CE1 4Å; L96-F100 HydrophobicContact CD1-CE2 4.38Å; L96-F100 HydrophobicContact CD1-CG 3.96Å; L96-F100 HydrophobicContact CD1-CZ 4.26Å; L96-F100 HydrophobicContact CD2-CD2 3.95Å; L96-F100 HydrophobicContact CD2-CE2 4.06Å; L96-F100 HydrophobicContact CD2-CG 4.41Å; L96-F100 HydrophobicContact CG-CG 4.5Å; P97-F100 WeakPolarHBondContact O-CB 3.02Å; P97-F100 PolarHBondContact O-N 3.45Å; E98-F100 VanDerWaalsContact C-N 3.31Å; E98-F100 PolarHBondContact O-N 3.03Å; F100-Y102 HydrophobicContact CD1-CD1 4.02Å; F100-Y102 AromaticContact CD1-CE1 3.91Å; F100-Y102 HydrophobicContact CD1-CE1 3.91Å; F100-Y102 HydrophobicContact CE1-CD1 4.2Å; F100-Y102 HydrophobicContact CE1-CE1 4.4Å; F100-P109 HydrophobicContact CE1-CG 4.28Å
101T68.4Low69.8Low125 Ų12593.2 Ų93.277%0.76749%0.489SS*.PPolyproline II helixtrans-85.1119.1178.2-50.50000109.6N99N99-T101 PolarHBondContact O-N 3.27Å
102Y76Confident72.3Confident49 Ų4985.1 Ų85.119%0.19245%0.451CS..PPolyproline II helixtrans-75.4146.9176.4-54.6-82.2000110.8F100 P109 L112 D151F100-Y102 HydrophobicContact CD1-CD1 4.02Å; F100-Y102 AromaticContact CD1-CE1 3.91Å; F100-Y102 HydrophobicContact CD1-CE1 3.91Å; F100-Y102 HydrophobicContact CE1-CD1 4.2Å; F100-Y102 HydrophobicContact CE1-CE1 4.4Å; Y102-P109 HydrophobicContact CE1-CG 4.19Å; Y102-L112 HydrophobicContact CE1-CD2 3.56Å; Y102-L112 VanDerWaalsContact OH-CD2 3.26Å; Y102-L112 WeakPolarHBondContact OH-CD2 3.43Å; Y102-D151 VanDerWaalsContact CB-O 3.3Å; Y102-D151 WeakPolarHBondContact CB-O 3.31Å
103S78.6Confident74.2Confident40 Ų4081.1 Ų81.128%0.2843%0.427SS..  trans-113.6130.2171.9179.50000109.1Y105 L106 D151 C152S103-Y105 PolarHBondContact O-N 3.26Å; S103-L106 PolarHBondContact O-N 2.93Å; S103-D151 CarbonylContact C-O 3.58Å; S103-D151 VanDerWaalsContact C-O 3.24Å; S103-C152 WeakPolarHBondContact O-CA 3.36Å
104P82.1Confident75.9Confident74 Ų7479.7 Ų79.748%0.48141%0.411SS..THydrogen-bonded Turntrans-56.1-23.9177.1-27.635.5000114K153P104-K153 PolarHBondContact O-N 3.12Å
105Y83.1Confident77.2Confident206 Ų20674 Ų7481%0.80838%0.376SS*.THydrogen-bonded Turntrans-91.5-13-177-54.2-72.7000113.7S103S103-Y105 PolarHBondContact O-N 3.26Å
106L87.4Confident78.1Confident107 Ų10780.1 Ų80.156%0.5640%0.399SS*.SBendtrans-99.5147.5-178.7-65.2178.1000111.3S103 K153S103-L106 PolarHBondContact O-N 2.93Å; L106-K153 PolarHBondContact O-N 3.5Å
107P88.6Confident79.2Confident71 Ų7178.1 Ų78.146%0.46139%0.389SS..BIsolated β-bridgetrans-58.8138.2173.4-23.533.7000112.2K153P107-K153 CarbonylContact C-O 3.58Å; P107-K153 VanDerWaalsContact CA-O 3.32Å; P107-K153 WeakPolarHBondContact CA-O 3.31Å
108C89.7Confident80.4Confident0 Ų081.1 Ų81.10%039%0.393CS..PPolyproline II helixtrans-59.8139.6174.1-57.30000110.7C152 K153 R155 R186C108-C152 HydrophobicContact CB-CB 4.08Å; C108-C152 WeakPolarHBondContact CB-SG 3.44Å; C108-C152 VanDerWaalsContact SG-C 3.59Å; C108-C152 WeakPolarHBondContact SG-CB 3.43Å; C108-C152 CovalentContact SG-SG 2.03Å; C108-C152 PolarHBondContact SG-SG 2.92Å; C108-K153 PolarHBondContact N-O 3.15Å; C108-K153 VanDerWaalsContact SG-C 3.52Å; C108-K153 PolarHBondContact SG-O 3.11Å; C108-R155 PolarHBondContact O-NE 3.05Å; C108-R186 HydrophobicContact CB-CB 3.86Å
109P87.1Confident81.6Confident23 Ų2374.6 Ų74.615%0.14936%0.364CS..PPolyproline II helixtrans-64.8145.3171.6-19.531.3000112L96 F100 Y102 L112L96-P109 HydrophobicContact CD1-CB 3.39Å; L96-P109 HydrophobicContact CD1-CG 3.19Å; F100-P109 HydrophobicContact CE1-CG 4.28Å; Y102-P109 HydrophobicContact CE1-CG 4.19Å; P109-L112 HydrophobicContact CB-CD2 3.99Å; P109-L112 HydrophobicContact CB-CG 4.4Å; P109-L112 HydrophobicContact CG-CD2 4.04Å; P109-L112 WeakPolarHBondContact O-CD1 3.45Å
110E85.1Confident82.7Confident73 Ų7372.3 Ų72.334%0.34136%0.359SS..SBendtrans-79.9-26177.9-63.4178.4-158.400112.6M115 R155 Y239E110-M115 WeakPolarHBondContact O-CE 3.19Å; E110-R155 WeakPolarHBondContact OE1-CD 3.39Å; E110-R155 IonicContact OE1-CZ 3.6Å; E110-R155 IonicContact OE1-NE 3.37Å; E110-R155 PolarHBondContact OE1-NE 2.91Å; E110-R155 IonicContact OE1-NH1 3.38Å; E110-R155 PolarHBondContact OE1-NH1 2.79Å; E110-Y239 HydrophobicContact CB-CD1 4.43Å; E110-Y239 HydrophobicContact CB-CE1 4.02Å; E110-Y239 HydrophobicContact CG-CE1 3.81Å
111K83.2Confident83.7Confident72 Ų7269.6 Ų69.631%0.31335%0.349SS..SBendtrans-119.4109.1-179-66.8178.9-174.9167.50109.9T93 Y95T93-K111 VanDerWaalsContact O-CD 3.29Å; T93-K111 WeakPolarHBondContact O-CD 3.35Å; T93-K111 PolarHBondContact O-NZ 2.97Å; T93-K111 VanDerWaalsContact O-NZ 3.13Å; T93-K111 PolarHBondContact OG1-NZ 3.28Å; Y95-K111 HydrophobicContact CD1-CB 3.85Å; Y95-K111 HydrophobicContact CE1-CB 3.87Å; Y95-K111 HydrophobicContact CE1-CG 4.33Å; Y95-K111 HydrophobicContact CG-CB 4.47Å
112L80.2Confident84.7Confident0 Ų067.7 Ų67.70%033%0.334CS..  trans-113.4140.6-172.9-66.7149.5000110.8Y95 Y102 P109 Y114 M115 K184 R186Y95-L112 WeakPolarHBondContact CD1-O 3.38Å; Y102-L112 HydrophobicContact CE1-CD2 3.56Å; Y102-L112 VanDerWaalsContact OH-CD2 3.26Å; Y102-L112 WeakPolarHBondContact OH-CD2 3.43Å; P109-L112 HydrophobicContact CB-CD2 3.99Å; P109-L112 HydrophobicContact CB-CG 4.4Å; P109-L112 HydrophobicContact CG-CD2 4.04Å; P109-L112 WeakPolarHBondContact O-CD1 3.45Å; L112-Y114 HydrophobicContact CB-CD1 4.14Å; L112-Y114 HydrophobicContact CB-CD2 4.45Å; L112-Y114 HydrophobicContact CB-CE1 3.63Å; L112-Y114 HydrophobicContact CB-CE2 3.95Å; L112-Y114 HydrophobicContact CD1-CE1 4.34Å; L112-Y114 HydrophobicContact CD1-CE2 4.31Å; L112-Y114 WeakPolarHBondContact CD1-OH 3.2Å; L112-Y114 HydrophobicContact CD2-CE1 4Å; L112-Y114 HydrophobicContact CG-CE1 4.18Å; L112-Y114 PolarHBondContact O-N 3.05Å; L112-Y114 VanDerWaalsContact O-N 3.16Å; L112-M115 HydrophobicContact CB-CE 4.06Å; L112-M115 HydrophobicContact CB-CG 4.22Å; L112-M115 HydrophobicContact CB-SD 4.37Å; L112-M115 HydrophobicContact CD1-CE 3.77Å; L112-M115 HydrophobicContact CG-CE 4.25Å; L112-M115 VanDerWaalsContact O-CB 3.3Å; L112-M115 WeakPolarHBondContact O-CB 3.32Å; L112-M115 WeakPolarHBondContact O-CG 3.3Å; L112-M115 PolarHBondContact O-N 2.53Å; L112-K184 WeakPolarHBondContact CD1-O 3.43Å; L112-R186 HydrophobicContact CD1-CB 4.23Å; L112-R186 HydrophobicContact CD1-CG 3.59Å
113P74Confident85.4Confident29 Ų2967.6 Ų67.619%0.18834%0.339CS..THydrogen-bonded Turntrans-57.8-33.3-173.514.4-26.6000113.8L96 E98 M115L96-P113 WeakPolarHBondContact O-CB 3.35Å; L96-P113 WeakPolarHBondContact O-CD 3.24Å; L96-P113 WeakPolarHBondContact O-CG 3.43Å; E98-P113 HydrophobicContact CG-CB 4.08Å; P113-M115 PolarHBondContact O-N 3.2Å
114Y79.4Confident86Confident66 Ų6669.4 Ų69.426%0.25935%0.352SS..THydrogen-bonded Turntrans-78.7-1.9-178.557.2-103.8000113.6L112 R116 K184 R186L112-Y114 HydrophobicContact CB-CD1 4.14Å; L112-Y114 HydrophobicContact CB-CD2 4.45Å; L112-Y114 HydrophobicContact CB-CE1 3.63Å; L112-Y114 HydrophobicContact CB-CE2 3.95Å; L112-Y114 HydrophobicContact CD1-CE1 4.34Å; L112-Y114 HydrophobicContact CD1-CE2 4.31Å; L112-Y114 WeakPolarHBondContact CD1-OH 3.2Å; L112-Y114 HydrophobicContact CD2-CE1 4Å; L112-Y114 HydrophobicContact CG-CE1 4.18Å; L112-Y114 PolarHBondContact O-N 3.05Å; L112-Y114 VanDerWaalsContact O-N 3.16Å; Y114-R116 PolarHBondContact O-N 3.27Å; Y114-K184 HydrophobicContact CD2-CB 4.15Å; Y114-K184 HydrophobicContact CD2-CG 4.02Å; Y114-K184 HydrophobicContact CE2-CB 3.72Å; Y114-K184 HydrophobicContact CE2-CG 3.99Å; Y114-K184 WeakPolarHBondContact CE2-O 3.42Å; Y114-K184 VanDerWaalsContact CZ-O 3.3Å; Y114-K184 PolarHBondContact OH-O 3.05Å; Y114-R186 WeakPolarHBondContact OH-CG 3.44Å; Y114-R186 PolarHBondContact OH-NE 3.32Å
115M85.7Confident86.3Confident2 Ų274 Ų741%0.0137%0.367CS..  trans-73.2100.3165.7-62.3176.5177.200108.6Y95 E110 L112 P113 G117 Q185 D236 R237 Y239Y95-M115 HydrophobicContact CE1-CB 4.34Å; Y95-M115 HydrophobicContact CE1-SD 4.41Å; E110-M115 WeakPolarHBondContact O-CE 3.19Å; L112-M115 HydrophobicContact CB-CE 4.06Å; L112-M115 HydrophobicContact CB-CG 4.22Å; L112-M115 HydrophobicContact CB-SD 4.37Å; L112-M115 HydrophobicContact CD1-CE 3.77Å; L112-M115 HydrophobicContact CG-CE 4.25Å; L112-M115 VanDerWaalsContact O-CB 3.3Å; L112-M115 WeakPolarHBondContact O-CB 3.32Å; L112-M115 WeakPolarHBondContact O-CG 3.3Å; L112-M115 PolarHBondContact O-N 2.53Å; P113-M115 PolarHBondContact O-N 3.2Å; M115-G117 PolarHBondContact O-N 3.42Å; M115-Q185 HydrophobicContact CE-CB 4.17Å; M115-Q185 HydrophobicContact CE-CG 3.77Å; M115-D236 VanDerWaalsContact C-OD1 3.26Å; M115-D236 WeakPolarHBondContact CA-OD1 3.36Å; M115-R237 HydrophobicContact CB-CG 3.79Å; M115-R237 PolarHBondContact O-NE 2.79Å; M115-R237 PolarHBondContact O-NH2 2.83Å; M115-Y239 HydrophobicContact CE-CD2 4.39Å
116R85.3Confident86.8Confident211 Ų21165.4 Ų65.480%0.79634%0.335SS*.  trans-77.9-10.2-171.5-64.1-174.6-177.3174.70112.7Y114 D236Y114-R116 PolarHBondContact O-N 3.27Å; R116-D236 PolarHBondContact N-OD1 3.01Å; R116-D236 VanDerWaalsContact N-OD1 3.09Å; R116-D236 PolarHBondContact N-OD2 2.78Å; R116-D236 VanDerWaalsContact N-OD2 3.15Å
117G87.7Confident87.1Confident4 Ų462.5 Ų62.54%0.04132%0.324CS..SBendtrans86.1-106-170.900000109.5M115 L119 N235 D236M115-G117 PolarHBondContact O-N 3.42Å; G117-L119 PolarHBondContact O-N 3.18Å; G117-N235 WeakPolarHBondContact CA-OD1 3.31Å; G117-N235 CarbonylContact O-C 3.58Å; G117-N235 WeakPolarHBondContact O-CA 3.47Å; G117-N235 PolarHBondContact O-OD1 2.82Å; G117-D236 WeakPolarHBondContact CA-OD1 3.49Å; G117-D236 PolarHBondContact N-OD1 2.76Å; G117-D236 PolarHBondContact O-N 2.98Å
118F90Very high87.3Confident151 Ų15161.4 Ų61.466%0.66231%0.312SS*.BIsolated β-bridgetrans-57.1128.4-172.6-178.5-102.8000113.1E234F118-E234 WeakPolarHBondContact CA-O 3.45Å
119L88.4Confident87.6Confident32 Ų3267.5 Ų67.517%0.16835%0.345CS..  trans-105.5126.5172.7-66.5176.4000109.2G117 V121 M181 E234 D236G117-L119 PolarHBondContact O-N 3.18Å; L119-V121 PolarHBondContact O-N 3.29Å; L119-V121 VanDerWaalsContact O-N 3.11Å; L119-M181 HydrophobicContact CD1-CG 4.37Å; L119-M181 HydrophobicContact CD1-SD 4.44Å; L119-E234 PolarHBondContact N-O 3.29Å; L119-D236 HydrophobicContact CD1-CB 3.97Å; L119-D236 HydrophobicContact CD2-CB 3.98Å; L119-D236 HydrophobicContact CG-CB 4.05Å
120S87.1Confident87.9Confident102 Ų10271.6 Ų71.671%0.71336%0.362SS*.  trans-72.3103.4167.3179.20000108.8N122S120-N122 PolarHBondContact O-N 2.91Å
121V89.9Confident88.4Confident24 Ų2468.3 Ų68.315%0.14535%0.347CS..  trans-82.7114.2179.7-176.70000110.4L119 V123 L232 P233 E234 K319L119-V121 PolarHBondContact O-N 3.29Å; L119-V121 VanDerWaalsContact O-N 3.11Å; V121-V123 HydrophobicContact CG1-CG1 4.09Å; V121-L232 HydrophobicContact CG1-CB 3.75Å; V121-L232 HydrophobicContact CG1-CD1 3.47Å; V121-L232 VanDerWaalsContact CG1-CD1 3.47Å; V121-L232 HydrophobicContact CG1-CG 4.26Å; V121-P233 WeakPolarHBondContact CG2-O 3.43Å; V121-E234 HydrophobicContact CG2-CB 4.44Å; V121-E234 HydrophobicContact CG2-CG 3.88Å; V121-K319 HydrophobicContact CB-CB 4.09Å; V121-K319 HydrophobicContact CB-CG 4.3Å; V121-K319 HydrophobicContact CG1-CB 3.83Å; V121-K319 HydrophobicContact CG1-CG 4Å; V121-K319 HydrophobicContact CG2-CB 4.26Å
122N90.4Very high89Confident85 Ų8567 Ų6746%0.45534%0.342SS..  trans-94.9115.5175.1-173.5-2.7000110.1S120 S124 I173 H177S120-N122 PolarHBondContact O-N 2.91Å; N122-S124 WeakPolarHBondContact OD1-CB 3.03Å; N122-S124 PolarHBondContact OD1-N 3.11Å; N122-S124 PolarHBondContact OD1-OG 3.28Å; N122-S124 VanDerWaalsContact OD1-OG 3.07Å; N122-I173 WeakPolarHBondContact O-CG2 3.49Å; N122-H177 PolarHBondContact N-NE2 3.49Å; N122-H177 PolarHBondContact O-CE1 2.76Å; N122-H177 PolarHBondContact O-NE2 3.41Å
123V91.1Very high89.6Confident48 Ų4873.6 Ų73.629%0.29137%0.372SS..  trans-101.913.3178.4-61.80000113.1V121 L232 K319 I321V121-V123 HydrophobicContact CG1-CG1 4.09Å; V123-L232 HydrophobicContact CG1-CD1 4.2Å; V123-K319 HydrophobicContact CG1-CG 4.05Å; V123-I321 HydrophobicContact CG1-CG1 4.4Å
124S91.1Very high90.6Very high78 Ų7876.7 Ų76.755%0.54539%0.387SS..SBendtrans-63.4141.1172.4-650000110.7N122 V126N122-S124 WeakPolarHBondContact OD1-CB 3.03Å; N122-S124 PolarHBondContact OD1-N 3.11Å; N122-S124 PolarHBondContact OD1-OG 3.28Å; N122-S124 VanDerWaalsContact OD1-OG 3.07Å; S124-V126 PolarHBondContact O-N 2.96Å
125E88.2Confident91.4Very high171 Ų17174.1 Ų74.180%0.79938%0.377SS*.  trans-58.5133.6176.6-170.2174.7-174.300110.3
126V93.1Very high91.7Very high24 Ų2476.5 Ų76.515%0.14539%0.394CS..  trans-139138.5179.464.70000108.2S124 E130 I131 P172 I173S124-V126 PolarHBondContact O-N 2.96Å; V126-E130 HydrophobicContact CG2-CB 4.04Å; V126-E130 WeakPolarHBondContact CG2-OE2 3.34Å; V126-I131 HydrophobicContact CG1-CD1 3.98Å; V126-I131 HydrophobicContact CG1-CG1 4.04Å; V126-I131 HydrophobicContact CG2-CD1 3.86Å; V126-I131 HydrophobicContact CG2-CG1 4.13Å; V126-P172 HydrophobicContact CG1-CB 3.52Å; V126-P172 WeakPolarHBondContact O-CB 3.48Å; V126-P172 VanDerWaalsContact O-CG 3.27Å; V126-P172 WeakPolarHBondContact O-CG 3.47Å; V126-I173 HydrophobicContact CG1-CG1 3.98Å
127S94.1Very high91.9Very high47 Ų4774.9 Ų74.933%0.32939%0.393SS..  trans-73.7151.4-178.768.90000111.5D129 E130 I131S127-D129 PolarHBondContact O-N 2.95Å; S127-E130 PolarHBondContact O-N 2.83Å; S127-E130 WeakPolarHBondContact OG-CB 3.23Å; S127-E130 WeakPolarHBondContact OG-CG 3.31Å; S127-E130 PolarHBondContact OG-N 2.83Å; S127-E130 PolarHBondContact OG-OE1 3.46Å; S127-I131 PolarHBondContact O-N 3.14Å
128F93.8Very high92.1Very high48 Ų4876.6 Ų76.621%0.21140%0.401CS..Hα-helixtrans-64.6-33.3177-149.4-96000111.5I131 H132 L171 P172 F175 Y365F128-I131 PolarHBondContact O-N 2.81Å; F128-H132 AromaticContact CD1-CD2 3.29Å; F128-H132 WeakPolarHBondContact CD1-CD2 3.25Å; F128-H132 AromaticContact CD1-NE2 3.23Å; F128-H132 WeakPolarHBondContact CD1-NE2 3.46Å; F128-H132 AromaticContact CE1-CD2 3.6Å; F128-H132 AromaticContact CE1-CE1 3.72Å; F128-H132 AromaticContact CE1-NE2 3.09Å; F128-H132 WeakPolarHBondContact CE1-NE2 3.5Å; F128-H132 PolarHBondContact O-CD2 3.11Å; F128-H132 PolarHBondContact O-N 2.96Å; F128-L171 HydrophobicContact CD2-CB 4.39Å; F128-L171 HydrophobicContact CE2-CB 3.86Å; F128-P172 HydrophobicContact CB-CG 4.25Å; F128-P172 HydrophobicContact CD2-CB 4.31Å; F128-P172 HydrophobicContact CD2-CG 3.69Å; F128-P172 HydrophobicContact CG-CG 4.45Å; F128-F175 AromaticContact CE2-CD2 3.85Å; F128-F175 HydrophobicContact CE2-CD2 3.85Å; F128-F175 AromaticContact CE2-CE2 3.9Å; F128-F175 HydrophobicContact CE2-CE2 3.9Å; F128-F175 AromaticContact CZ-CD2 3.99Å; F128-F175 HydrophobicContact CZ-CD2 3.99Å; F128-F175 AromaticContact CZ-CE2 3.87Å; F128-F175 HydrophobicContact CZ-CE2 3.87Å; F128-Y365 AromaticContact CE1-CE1 3.97Å; F128-Y365 HydrophobicContact CE1-CE1 3.97Å; F128-Y365 HydrophobicContact CE2-CE1 4.48Å; F128-Y365 HydrophobicContact CZ-CD1 4.14Å; F128-Y365 AromaticContact CZ-CE1 3.5Å; F128-Y365 HydrophobicContact CZ-CE1 3.5Å
129D94.4Very high92.2Very high127 Ų12776.3 Ų76.368%0.67941%0.405SS*.Hα-helixtrans-63.1-41.6176.8-67.2-26.6000112.2S127 I131 H132 Q133S127-D129 PolarHBondContact O-N 2.95Å; D129-I131 VanDerWaalsContact C-N 3.32Å; D129-I131 PolarHBondContact O-N 3.39Å; D129-H132 PolarHBondContact O-N 2.83Å; D129-Q133 WeakPolarHBondContact O-CB 3.21Å; D129-Q133 PolarHBondContact O-N 3.21Å
130E94.9Very high92.5Very high110 Ų11077.5 Ų77.551%0.51441%0.412SS..Hα-helixtrans-61.5-41.4174.4-78.8164.5-119.400111.7V126 S127 Q133 L134V126-E130 HydrophobicContact CG2-CB 4.04Å; V126-E130 WeakPolarHBondContact CG2-OE2 3.34Å; S127-E130 PolarHBondContact O-N 2.83Å; S127-E130 WeakPolarHBondContact OG-CB 3.23Å; S127-E130 WeakPolarHBondContact OG-CG 3.31Å; S127-E130 PolarHBondContact OG-N 2.83Å; S127-E130 PolarHBondContact OG-OE1 3.46Å; E130-Q133 PolarHBondContact O-N 2.87Å; E130-L134 WeakPolarHBondContact O-CB 3.33Å; E130-L134 PolarHBondContact O-N 2.98Å
131I95.4Very high93Very high3 Ų373.2 Ų73.22%0.01538%0.381CS..Hα-helixtrans-68.1-42.3178.4-63.5-53.3000111.2V126 S127 F128 D129 Q133 L134 F135 P172 F175 L176 L364V126-I131 HydrophobicContact CG1-CD1 3.98Å; V126-I131 HydrophobicContact CG1-CG1 4.04Å; V126-I131 HydrophobicContact CG2-CD1 3.86Å; V126-I131 HydrophobicContact CG2-CG1 4.13Å; S127-I131 PolarHBondContact O-N 3.14Å; F128-I131 PolarHBondContact O-N 2.81Å; D129-I131 VanDerWaalsContact C-N 3.32Å; D129-I131 PolarHBondContact O-N 3.39Å; I131-Q133 VanDerWaalsContact C-N 3.33Å; I131-Q133 PolarHBondContact O-N 2.98Å; I131-L134 PolarHBondContact O-N 3.39Å; I131-F135 HydrophobicContact CG2-CD2 3.7Å; I131-F135 HydrophobicContact CG2-CE2 3.82Å; I131-F135 VanDerWaalsContact O-CD2 3.28Å; I131-F135 WeakPolarHBondContact O-CD2 3.27Å; I131-F135 PolarHBondContact O-N 3.36Å; I131-P172 HydrophobicContact CG1-CB 3.72Å; I131-F175 HydrophobicContact CG2-CB 4.12Å; I131-L176 HydrophobicContact CD1-CB 3.86Å; I131-L176 HydrophobicContact CD1-CD1 3.95Å; I131-L176 HydrophobicContact CD1-CD2 4.4Å; I131-L176 HydrophobicContact CD1-CG 4.28Å; I131-L364 HydrophobicContact CG2-CD1 3.8Å
132H94.1Very high93.3Very high46 Ų4676 Ų7621%0.21339%0.392CS..Hα-helixtrans-58.7-45.4171-86.5-60.6000112.1F128 D129 L134 F135 S136 D362F128-H132 AromaticContact CD1-CD2 3.29Å; F128-H132 WeakPolarHBondContact CD1-CD2 3.25Å; F128-H132 AromaticContact CD1-NE2 3.23Å; F128-H132 WeakPolarHBondContact CD1-NE2 3.46Å; F128-H132 AromaticContact CE1-CD2 3.6Å; F128-H132 AromaticContact CE1-CE1 3.72Å; F128-H132 AromaticContact CE1-NE2 3.09Å; F128-H132 WeakPolarHBondContact CE1-NE2 3.5Å; F128-H132 PolarHBondContact O-CD2 3.11Å; F128-H132 PolarHBondContact O-N 2.96Å; D129-H132 PolarHBondContact O-N 2.83Å; H132-L134 VanDerWaalsContact C-N 3.34Å; H132-L134 PolarHBondContact O-N 2.78Å; H132-F135 PolarHBondContact O-N 2.68Å; H132-S136 WeakPolarHBondContact O-CA 3.15Å; H132-S136 VanDerWaalsContact O-CB 3.26Å; H132-S136 WeakPolarHBondContact O-CB 3.42Å; H132-S136 PolarHBondContact O-N 3.14Å; H132-D362 IonicContact CE1-OD1 3.72Å; H132-D362 PolarHBondContact CE1-OD1 2.85Å; H132-D362 VanDerWaalsContact CE1-OD1 3.24Å; H132-D362 IonicContact CE1-OD2 3.72Å; H132-D362 PolarHBondContact CE1-OD2 3.5Å; H132-D362 IonicContact NE2-OD1 2.82Å; H132-D362 IonicContact NE2-OD2 3.19Å
133Q94.3Very high93.5Very high137 Ų13776.7 Ų76.764%0.6440%0.402SS*.Hα-helixtrans-64.8-40.3179.1-169.8179.212.500111.4D129 E130 I131 S136D129-Q133 WeakPolarHBondContact O-CB 3.21Å; D129-Q133 PolarHBondContact O-N 3.21Å; E130-Q133 PolarHBondContact O-N 2.87Å; I131-Q133 VanDerWaalsContact C-N 3.33Å; I131-Q133 PolarHBondContact O-N 2.98Å; Q133-S136 PolarHBondContact O-N 2.91Å; Q133-S136 PolarHBondContact O-OG 3.2Å
134L94.9Very high93.7Very high94 Ų9474.6 Ų74.649%0.49239%0.39SS..Hα-helixtrans-58.6-50.6176.3-179.764.8000111.3E130 I131 H132 L176E130-L134 WeakPolarHBondContact O-CB 3.33Å; E130-L134 PolarHBondContact O-N 2.98Å; I131-L134 PolarHBondContact O-N 3.39Å; H132-L134 VanDerWaalsContact C-N 3.34Å; H132-L134 PolarHBondContact O-N 2.78Å; L134-L176 HydrophobicContact CD2-CD1 3.63Å
135F95.3Very high94Very high13 Ų1371 Ų716%0.05737%0.365CS..Hα-helixtrans-84.6-6.6-178.3-69.3-65.8000114I131 H132 K137 D138 I141 I179 P180 R363 L364I131-F135 HydrophobicContact CG2-CD2 3.7Å; I131-F135 HydrophobicContact CG2-CE2 3.82Å; I131-F135 VanDerWaalsContact O-CD2 3.28Å; I131-F135 WeakPolarHBondContact O-CD2 3.27Å; I131-F135 PolarHBondContact O-N 3.36Å; H132-F135 PolarHBondContact O-N 2.68Å; F135-K137 PolarHBondContact O-N 2.73Å; F135-D138 PolarHBondContact O-N 2.74Å; F135-D138 VanDerWaalsContact O-N 3.11Å; F135-I141 HydrophobicContact CB-CD1 4.04Å; F135-I141 HydrophobicContact CD1-CD1 3.81Å; F135-I141 HydrophobicContact CG-CD1 4.2Å; F135-I179 HydrophobicContact CD1-CD1 4.35Å; F135-I179 HydrophobicContact CD1-CG2 3.94Å; F135-I179 HydrophobicContact CD2-CD1 3.92Å; F135-I179 HydrophobicContact CE1-CB 3.84Å; F135-I179 HydrophobicContact CE1-CD1 4.22Å; F135-I179 HydrophobicContact CE1-CG2 3.47Å; F135-I179 VanDerWaalsContact CE1-CG2 3.47Å; F135-I179 HydrophobicContact CE2-CB 4.47Å; F135-I179 HydrophobicContact CE2-CD1 3.77Å; F135-I179 HydrophobicContact CG-CD1 4.22Å; F135-I179 HydrophobicContact CZ-CB 3.78Å; F135-I179 HydrophobicContact CZ-CD1 3.94Å; F135-I179 HydrophobicContact CZ-CG1 4.43Å; F135-I179 HydrophobicContact CZ-CG2 3.98Å; F135-P180 HydrophobicContact CE1-CG 4.19Å; F135-P180 HydrophobicContact CZ-CG 4.08Å; F135-R363 PolarHBondContact O-NH2 2.84Å; F135-L364 HydrophobicContact CB-CD2 3.79Å; F135-L364 HydrophobicContact CD2-CD1 4.37Å; F135-L364 HydrophobicContact CD2-CD2 4.39Å; F135-L364 HydrophobicContact CG-CD2 4.3Å
136S91.6Very high94.4Very high51 Ų5164.2 Ų64.236%0.35733%0.333SS..Hα-helixtrans-60.8-29176.169.40000112.8H132 Q133 D138 R363H132-S136 WeakPolarHBondContact O-CA 3.15Å; H132-S136 VanDerWaalsContact O-CB 3.26Å; H132-S136 WeakPolarHBondContact O-CB 3.42Å; H132-S136 PolarHBondContact O-N 3.14Å; Q133-S136 PolarHBondContact O-N 2.91Å; Q133-S136 PolarHBondContact O-OG 3.2Å; S136-D138 VanDerWaalsContact C-N 3.32Å; S136-R363 PolarHBondContact O-NH2 3.36Å
137K90.3Very high94.7Very high178 Ų17863.8 Ų63.877%0.77433%0.329SS*.THydrogen-bonded Turntrans-73.8-23.6179.2-63.3-178.6-179176.40113F135 L139F135-K137 PolarHBondContact O-N 2.73Å; K137-L139 PolarHBondContact O-N 2.94Å
138D92.9Very high94.8Very high40 Ų4067.4 Ų67.421%0.21434%0.335CS..  trans-84.5100.7175.5-168.8-16.8000108.9F135 S136 D140 I141 Q183 R363F135-D138 PolarHBondContact O-N 2.74Å; F135-D138 VanDerWaalsContact O-N 3.11Å; S136-D138 VanDerWaalsContact C-N 3.32Å; D138-D140 PolarHBondContact O-N 3.19Å; D138-D140 WeakPolarHBondContact OD1-CB 3.49Å; D138-D140 PolarHBondContact OD1-N 3.22Å; D138-I141 HydrophobicContact CB-CD1 3.93Å; D138-I141 HydrophobicContact CB-CG1 4.17Å; D138-Q183 PolarHBondContact OD2-NE2 3.28Å; D138-R363 PolarHBondContact O-NH2 2.83Å
139L92Very high94.9Very high145 Ų14565.5 Ų65.576%0.75933%0.327SS*.THydrogen-bonded Turntrans-77.4-8-179.6-60179000112.6K137K137-L139 PolarHBondContact O-N 2.94Å
140D94.9Very high94.8Very high57 Ų5765.9 Ų65.931%0.30532%0.323SS..THydrogen-bonded Turntrans-86.9-10.5178.9-63.9-22.6000112.2D138 E142 K150D138-D140 PolarHBondContact O-N 3.19Å; D138-D140 WeakPolarHBondContact OD1-CB 3.49Å; D138-D140 PolarHBondContact OD1-N 3.22Å; D140-E142 PolarHBondContact O-N 2.98Å; D140-K150 WeakPolarHBondContact OD1-CE 3.47Å; D140-K150 IonicContact OD1-NZ 2.74Å; D140-K150 PolarHBondContact OD1-NZ 3.31Å
141I96.3Very high94.6Very high11 Ų1162.9 Ų62.96%0.05631%0.311CS..  trans-80.4105.2170.3-58.7173.9000108.5F135 D138 I179 L364F135-I141 HydrophobicContact CB-CD1 4.04Å; F135-I141 HydrophobicContact CD1-CD1 3.81Å; F135-I141 HydrophobicContact CG-CD1 4.2Å; D138-I141 HydrophobicContact CB-CD1 3.93Å; D138-I141 HydrophobicContact CB-CG1 4.17Å; I141-I179 HydrophobicContact CD1-CG2 3.96Å; I141-L364 HydrophobicContact CG2-CD2 4.32Å
142E95.9Very high94.4Very high82 Ų8263 Ų6338%0.38331%0.312SS..BIsolated β-bridgetrans-80.3159.8175.4-64-179.5-165.900110.7D140 G145 H146D140-E142 PolarHBondContact O-N 2.98Å; E142-G145 PolarHBondContact O-N 3.44Å; E142-H146 HydrophobicContact CB-CB 4.2Å; E142-H146 PolarHBondContact N-O 2.77Å; E142-H146 PolarHBondContact O-N 2.81Å
143P95.9Very high94.3Very high101 Ų10167.1 Ų67.166%0.65633%0.329SS*.THydrogen-bonded Turntrans-51.1147.1175.5-26.135000112.8G145 V361P143-G145 VanDerWaalsContact C-N 3.31Å; P143-V361 HydrophobicContact CB-CG1 3.83Å
144G95.1Very high94.3Very high4 Ų461.7 Ų61.74%0.04131%0.306CS..THydrogen-bonded Turntrans83.38.1-17300000113.5H146 D362 Y365 T366G144-H146 PolarHBondContact O-N 3.28Å; G144-D362 PolarHBondContact N-O 3.42Å; G144-Y365 VanDerWaalsContact C-CA 3.47Å; G144-Y365 CarbonylContact O-C 3.48Å; G144-Y365 WeakPolarHBondContact O-CA 3.18Å; G144-T366 WeakPolarHBondContact CA-OG1 3.3Å
145G96.2Very high94.3Very high2 Ų262.1 Ų62.12%0.02130%0.301CS..THydrogen-bonded Turntrans68.924.4-17400000112.9E142 P143 R363 L364E142-G145 PolarHBondContact O-N 3.44Å; P143-G145 VanDerWaalsContact C-N 3.31Å; G145-R363 WeakPolarHBondContact CA-O 3.34Å; G145-R363 PolarHBondContact N-O 3.24Å; G145-L364 WeakPolarHBondContact CA-O 3.46Å
146H98.1Very high94.4Very high28 Ų2864.6 Ų64.613%0.1331%0.31CS..BIsolated β-bridgetrans-78132.2-179.3-173.4-74.5000109.8E142 G144 E188 F189 A190 W221E142-H146 HydrophobicContact CB-CB 4.2Å; E142-H146 PolarHBondContact N-O 2.77Å; E142-H146 PolarHBondContact O-N 2.81Å; G144-H146 PolarHBondContact O-N 3.28Å; H146-E188 IonicContact CE1-OE1 3.92Å; H146-E188 IonicContact NE2-OE1 3.36Å; H146-F189 CarbonylContact C-O 3.49Å; H146-F189 VanDerWaalsContact CA-O 3.27Å; H146-F189 WeakPolarHBondContact CA-O 3.16Å; H146-A190 HydrophobicContact CB-CB 4.29Å; H146-W221 AromaticContact CD2-CH2 3.78Å
147W98.3Very high94.8Very high16 Ų1665.2 Ų65.26%0.06131%0.306CS..BIsolated β-bridgetrans-143.2147175.5-176.191.6000110.2P149 Q183 L187 E188 F189W147-P149 HydrophobicContact CH2-CB 3.95Å; W147-P149 HydrophobicContact CZ3-CB 4.28Å; W147-P149 HydrophobicContact CZ3-CG 4.45Å; W147-Q183 HydrophobicContact CD2-CG 3.75Å; W147-Q183 HydrophobicContact CE3-CG 4.13Å; W147-Q183 HydrophobicContact CG-CG 4.12Å; W147-Q183 HydrophobicContact CH2-CB 4.2Å; W147-Q183 HydrophobicContact CH2-CG 4.39Å; W147-Q183 HydrophobicContact CZ2-CB 4.15Å; W147-Q183 HydrophobicContact CZ2-CG 4.05Å; W147-Q183 HydrophobicContact CZ3-CB 4.44Å; W147-Q183 HydrophobicContact CZ3-CG 4.43Å; W147-L187 WeakPolarHBondContact CZ3-O 3.45Å; W147-E188 CarbonylContact O-C 3.55Å; W147-E188 VanDerWaalsContact O-CA 3.27Å; W147-E188 WeakPolarHBondContact O-CA 3.22Å; W147-F189 HydrophobicContact CB-CE1 3.9Å; W147-F189 HydrophobicContact CB-CE2 4.05Å; W147-F189 HydrophobicContact CB-CZ 3.65Å; W147-F189 HydrophobicContact CD2-CE1 4.06Å; W147-F189 HydrophobicContact CD2-CZ 4.43Å; W147-F189 HydrophobicContact CE3-CD1 4.1Å; W147-F189 AromaticContact CE3-CE1 3.53Å; W147-F189 HydrophobicContact CE3-CE1 3.53Å; W147-F189 HydrophobicContact CE3-CZ 4.34Å; W147-F189 HydrophobicContact CG-CE1 4.23Å; W147-F189 HydrophobicContact CG-CZ 4.18Å; W147-F189 HydrophobicContact CZ3-CE1 4.37Å; W147-F189 PolarHBondContact N-O 2.83Å; W147-F189 PolarHBondContact O-N 3.38Å
148R96.9Very high95.2Very high123 Ų12356.7 Ų56.746%0.46427%0.269SS..  trans-146.4148172.361.9179.1172.9169-1.6111.5E188R148-E188 HydrophobicContact CB-CB 4.04Å; R148-E188 HydrophobicContact CB-CG 4Å
149P95Very high95.5Very high7 Ų754.8 Ų54.85%0.04526%0.259CS..  trans-66.5142173.229.5-34.5000111W147 P154 R186W147-P149 HydrophobicContact CH2-CB 3.95Å; W147-P149 HydrophobicContact CZ3-CB 4.28Å; W147-P149 HydrophobicContact CZ3-CG 4.45Å; P149-P154 HydrophobicContact CG-CB 3.92Å; P149-P154 HydrophobicContact CG-CG 4.39Å; P149-R186 HydrophobicContact CB-CB 4.4Å; P149-R186 HydrophobicContact CG-CB 4.35Å
150K92.8Very high95.8Very high136 Ų13647.9 Ų47.959%0.59122%0.223SC*.SBendtrans-101.7-14.9177.6-67.8-179.9176.3174.10113.5D140D140-K150 WeakPolarHBondContact OD1-CE 3.47Å; D140-K150 IonicContact OD1-NZ 2.74Å; D140-K150 PolarHBondContact OD1-NZ 3.31Å
151D90Very high96Very high47 Ų4745.2 Ų45.225%0.25121%0.208SC..SBendtrans-96.4-11.6-176.355.4-17.8000113.8Y102 S103 R186Y102-D151 VanDerWaalsContact CB-O 3.3Å; Y102-D151 WeakPolarHBondContact CB-O 3.31Å; S103-D151 CarbonylContact C-O 3.58Å; S103-D151 VanDerWaalsContact C-O 3.24Å; D151-R186 IonicContact OD1-CZ 3.5Å; D151-R186 IonicContact OD1-NH1 2.67Å; D151-R186 PolarHBondContact OD1-NH1 2.86Å; D151-R186 IonicContact OD1-NH2 3.98Å; D151-R186 IonicContact OD2-CZ 3.04Å; D151-R186 IonicContact OD2-NH1 3.09Å; D151-R186 PolarHBondContact OD2-NH1 2.89Å; D151-R186 IonicContact OD2-NH2 2.73Å; D151-R186 PolarHBondContact OD2-NH2 2.94Å
152C91.4Very high96.1Very high5 Ų544.7 Ų44.73%0.03421%0.206CC..SBendtrans-150.7162.1171.654.70000110.9S103 C108S103-C152 WeakPolarHBondContact O-CA 3.36Å; C108-C152 HydrophobicContact CB-CB 4.08Å; C108-C152 WeakPolarHBondContact CB-SG 3.44Å; C108-C152 VanDerWaalsContact SG-C 3.59Å; C108-C152 WeakPolarHBondContact SG-CB 3.43Å; C108-C152 CovalentContact SG-SG 2.03Å; C108-C152 PolarHBondContact SG-SG 2.92Å
153K93.1Very high96.2Very high132 Ų13241.2 Ų41.257%0.57419%0.19SC*.BIsolated β-bridgetrans-75.3121.6173.6-176.5179.9178.1-178.20109P104 L106 P107 C108 R155P104-K153 PolarHBondContact O-N 3.12Å; L106-K153 PolarHBondContact O-N 3.5Å; P107-K153 CarbonylContact C-O 3.58Å; P107-K153 VanDerWaalsContact CA-O 3.32Å; P107-K153 WeakPolarHBondContact CA-O 3.31Å; C108-K153 PolarHBondContact N-O 3.15Å; C108-K153 VanDerWaalsContact SG-C 3.52Å; C108-K153 PolarHBondContact SG-O 3.11Å; K153-R155 PolarHBondContact O-N 3.46Å
154P94.6Very high96.2Very high24 Ų2436.6 Ų36.616%0.15616%0.16CC..  trans-57.5132.3178.223.2-31.7000109.7P149 E188P149-P154 HydrophobicContact CG-CB 3.92Å; P149-P154 HydrophobicContact CG-CG 4.39Å; P154-E188 HydrophobicContact CB-CB 3.7Å; P154-E188 HydrophobicContact CG-CB 3.8Å; P154-E188 WeakPolarHBondContact CG-OE2 3.32Å
155R94.7Very high96.2Very high102 Ų10238.2 Ų38.239%0.38517%0.165SC..SBendtrans-71.9-38178.2178.3177.6-73.9-93.9-9.1111.6C108 E110 K153C108-R155 PolarHBondContact O-NE 3.05Å; E110-R155 WeakPolarHBondContact OE1-CD 3.39Å; E110-R155 IonicContact OE1-CZ 3.6Å; E110-R155 IonicContact OE1-NE 3.37Å; E110-R155 PolarHBondContact OE1-NE 2.91Å; E110-R155 IonicContact OE1-NH1 3.38Å; E110-R155 PolarHBondContact OE1-NH1 2.79Å; K153-R155 PolarHBondContact O-N 3.46Å
156W97.5Very high95.8Very high65 Ų6543.3 Ų43.325%0.24619%0.191CC..  trans-132.7139.4-174.7-60.9119.6000110.4V158 L187 E188 D222 Y239 C242W156-V158 HydrophobicContact CB-CG2 4.19Å; W156-L187 HydrophobicContact CB-CD2 3.96Å; W156-E188 PolarHBondContact O-N 3.31Å; W156-E188 VanDerWaalsContact O-N 3.08Å; W156-D222 WeakPolarHBondContact CA-OD2 3.47Å; W156-D222 HydrophobicContact CE3-CB 3.99Å; W156-D222 HydrophobicContact CZ3-CB 4.49Å; W156-Y239 AromaticContact CD1-CE1 3.78Å; W156-C242 HydrophobicContact CD2-CB 3.64Å; W156-C242 HydrophobicContact CE3-CB 3.52Å; W156-C242 HydrophobicContact CG-CB 4.14Å; W156-C242 HydrophobicContact CH2-CB 4.34Å; W156-C242 HydrophobicContact CZ2-CB 4.46Å; W156-C242 HydrophobicContact CZ3-CB 3.89Å
157K98.5Very high95.4Very high64 Ų6444 Ų4428%0.27819%0.193SC..EExtended strand (participates in β ladder)trans-104.5120.3169.3-55.7-172.9171.9-137.50109.2E188 V220 W221 D222 C223K157-E188 CarbonylContact C-O 3.51Å; K157-E188 VanDerWaalsContact CA-O 3.27Å; K157-E188 WeakPolarHBondContact CA-O 3.24Å; K157-E188 WeakPolarHBondContact CE-OE1 3.38Å; K157-E188 WeakPolarHBondContact CE-OE2 3.32Å; K157-E188 HydrophobicContact CG-CB 4.1Å; K157-E188 HydrophobicContact CG-CG 4.13Å; K157-E188 IonicContact NZ-OE1 2.82Å; K157-E188 PolarHBondContact NZ-OE1 3.26Å; K157-E188 IonicContact NZ-OE2 3.31Å; K157-E188 PolarHBondContact NZ-OE2 3.01Å; K157-V220 VanDerWaalsContact CD-O 3.27Å; K157-V220 WeakPolarHBondContact CD-O 3.39Å; K157-W221 HydrophobicContact CB-CE3 3.71Å; K157-W221 HydrophobicContact CB-CZ3 4.12Å; K157-D222 PolarHBondContact N-OD2 3.23Å; K157-D222 WeakPolarHBondContact O-CB 3.43Å; K157-D222 PolarHBondContact O-N 2.92Å; K157-C223 PolarHBondContact O-N 3.04Å
158V98.8Very high95Very high0 Ų048.2 Ų48.20%021%0.213CC..EExtended strand (participates in β ladder)trans-124.6118.5-169-171.80000111.2W156 V160 L187 E188 F189 A190 W221 I225 Y240W156-V158 HydrophobicContact CB-CG2 4.19Å; V158-V160 HydrophobicContact CG1-CG2 4.29Å; V158-L187 HydrophobicContact CG2-CD1 4.39Å; V158-L187 HydrophobicContact CG2-CD2 4.14Å; V158-E188 PolarHBondContact N-O 2.84Å; V158-F189 HydrophobicContact CB-CB 4.44Å; V158-F189 WeakPolarHBondContact O-CA 3.2Å; V158-F189 WeakPolarHBondContact O-CB 3.37Å; V158-A190 PolarHBondContact O-N 3.47Å; V158-W221 VanDerWaalsContact C-CE3 3.44Å; V158-W221 VanDerWaalsContact N-CE3 3.33Å; V158-W221 WeakPolarHBondContact O-CZ3 3.41Å; V158-I225 HydrophobicContact CG1-CB 4.47Å; V158-I225 HydrophobicContact CG1-CD1 3.61Å; V158-I225 HydrophobicContact CG1-CG1 3.71Å; V158-Y240 WeakPolarHBondContact CG2-O 3.41Å
159A98.9Very high94.7Very high0 Ų045 Ų450%020%0.203CC..EExtended strand (participates in β ladder)trans-89.6120.5167.800000110L161 Y192 A215 W221 C223 V224 I225A159-L161 HydrophobicContact CB-CD2 4.44Å; A159-Y192 HydrophobicContact CB-CD2 4.1Å; A159-Y192 HydrophobicContact CB-CE2 3.67Å; A159-A215 HydrophobicContact CB-CB 3.99Å; A159-W221 HydrophobicContact CB-CB 4.28Å; A159-W221 HydrophobicContact CB-CD2 3.73Å; A159-W221 HydrophobicContact CB-CE3 4.36Å; A159-W221 HydrophobicContact CB-CG 3.66Å; A159-C223 PolarHBondContact N-O 3.2Å; A159-C223 VanDerWaalsContact N-O 3.1Å; A159-V224 HydrophobicContact CB-CG1 4.1Å; A159-V224 WeakPolarHBondContact O-CA 3.5Å; A159-I225 PolarHBondContact O-N 2.67Å
160V98.9Very high94.7Very high0 Ų044.9 Ų44.90%020%0.202CC..EExtended strand (participates in β ladder)trans-97.6111.7177.8-1760000108.7V158 I162 F174 L182 A190 F191 Y192 H227V158-V160 HydrophobicContact CG1-CG2 4.29Å; V160-I162 HydrophobicContact CG1-CD1 4.46Å; V160-I162 HydrophobicContact CG1-CG1 4.27Å; V160-F174 HydrophobicContact CG1-CZ 4.31Å; V160-L182 HydrophobicContact CG2-CD1 4.14Å; V160-A190 PolarHBondContact N-O 2.81Å; V160-F191 HydrophobicContact CB-CD1 3.68Å; V160-F191 HydrophobicContact CB-CE1 4.01Å; V160-F191 HydrophobicContact CG1-CD1 3.84Å; V160-F191 HydrophobicContact CG1-CE1 4.01Å; V160-F191 HydrophobicContact CG2-CD1 4.27Å; V160-F191 HydrophobicContact CG2-CE1 4.16Å; V160-Y192 PolarHBondContact O-N 2.83Å; V160-H227 HydrophobicContact CG1-CB 4.12Å
161L98.9Very high94.8Very high0 Ų038.6 Ų38.60%018%0.175CC..EExtended strand (participates in β ladder)trans-99.9127.3-176.7-52-175.7000109.7A159 Y192 I194 F208 F212 A215 V224 I225 F226 H227A159-L161 HydrophobicContact CB-CD2 4.44Å; L161-Y192 HydrophobicContact CD2-CD2 3.74Å; L161-Y192 HydrophobicContact CD2-CG 4.03Å; L161-I194 HydrophobicContact CB-CD1 4Å; L161-I194 HydrophobicContact CD2-CD1 4.48Å; L161-F208 HydrophobicContact CB-CD1 3.98Å; L161-F208 HydrophobicContact CB-CE1 4.31Å; L161-F208 WeakPolarHBondContact O-CE1 3.46Å; L161-F212 HydrophobicContact CD1-CB 4.14Å; L161-A215 HydrophobicContact CD2-CB 4.05Å; L161-V224 HydrophobicContact CD1-CB 4.32Å; L161-V224 HydrophobicContact CD1-CG1 4.3Å; L161-I225 PolarHBondContact N-O 2.8Å; L161-F226 HydrophobicContact CD1-CD1 4.08Å; L161-F226 HydrophobicContact CD1-CE1 3.83Å; L161-H227 PolarHBondContact O-N 3.46Å
162I98.8Very high95.1Very high0 Ų036.5 Ų36.50%016%0.164CC..EExtended strand (participates in β ladder)trans-126.3105-173.3-56.6147.1000108.6V160 F174 F191 Y192 V193 I194 V229V160-I162 HydrophobicContact CG1-CD1 4.46Å; V160-I162 HydrophobicContact CG1-CG1 4.27Å; I162-F174 HydrophobicContact CD1-CD1 4.35Å; I162-F174 HydrophobicContact CD1-CE1 3.54Å; I162-F174 HydrophobicContact CD1-CE2 4.42Å; I162-F174 HydrophobicContact CD1-CZ 3.58Å; I162-F174 HydrophobicContact CG1-CE1 4.31Å; I162-F174 HydrophobicContact CG1-CE2 4.35Å; I162-F174 HydrophobicContact CG1-CZ 3.85Å; I162-F191 HydrophobicContact CD1-CB 4.35Å; I162-F191 HydrophobicContact CD1-CD1 4.02Å; I162-Y192 PolarHBondContact N-O 3.43Å; I162-V193 HydrophobicContact CB-CG2 4.4Å; I162-V193 HydrophobicContact CD1-CG2 4.05Å; I162-V193 WeakPolarHBondContact O-CA 3.18Å; I162-I194 PolarHBondContact O-N 2.65Å; I162-V229 HydrophobicContact CG2-CB 3.75Å; I162-V229 HydrophobicContact CG2-CG2 4.03Å
163P97.9Very high95.3Very high9 Ų936.5 Ų36.56%0.05816%0.164CC..EExtended strand (participates in β ladder)trans-75.8133.8178.134.4-29.4000108.1F202 R204 L207 F208 H227P163-F202 HydrophobicContact CB-CE1 4.48Å; P163-F202 HydrophobicContact CB-CZ 3.94Å; P163-R204 HydrophobicContact CB-CG 4.26Å; P163-R204 HydrophobicContact CG-CG 3.84Å; P163-L207 HydrophobicContact CB-CB 3.91Å; P163-L207 HydrophobicContact CB-CD1 3.89Å; P163-F208 HydrophobicContact CB-CE1 4.37Å; P163-F208 HydrophobicContact CB-CZ 4.47Å; P163-F208 VanDerWaalsContact CD-CE1 3.43Å; P163-F208 HydrophobicContact CG-CD1 4.41Å; P163-F208 HydrophobicContact CG-CE1 3.7Å; P163-F208 HydrophobicContact CG-CE2 4.13Å; P163-F208 HydrophobicContact CG-CZ 3.52Å; P163-H227 VanDerWaalsContact CD-O 3.23Å; P163-H227 WeakPolarHBondContact CD-O 3.47Å
164F96.5Very high95.5Very high4 Ų430.2 Ų30.22%0.01814%0.136CC..EExtended strand (participates in β ladder)trans-142140.9-164.4-173.8-92000113.3R167 H168 L171 V193 I194 E195 Q196F164-R167 HydrophobicContact CD2-CB 4.25Å; F164-R167 VanDerWaalsContact CE2-C 3.45Å; F164-R167 HydrophobicContact CE2-CB 3.62Å; F164-R167 VanDerWaalsContact CE2-O 3.29Å; F164-R167 WeakPolarHBondContact CE2-O 3.47Å; F164-R167 VanDerWaalsContact CZ-C 3.44Å; F164-R167 HydrophobicContact CZ-CB 4.16Å; F164-H168 AromaticContact CE1-CE1 3.52Å; F164-H168 AromaticContact CE1-ND1 3.76Å; F164-H168 AromaticContact CE1-NE2 3.94Å; F164-H168 HydrophobicContact CZ-CB 4.48Å; F164-H168 AromaticContact CZ-CE1 3.84Å; F164-H168 AromaticContact CZ-CG 3.9Å; F164-H168 AromaticContact CZ-ND1 3.6Å; F164-L171 HydrophobicContact CD2-CD1 3.95Å; F164-L171 HydrophobicContact CD2-CD2 4.23Å; F164-L171 HydrophobicContact CD2-CG 4.04Å; F164-L171 HydrophobicContact CE1-CD1 4.35Å; F164-L171 HydrophobicContact CE2-CD1 3.41Å; F164-L171 VanDerWaalsContact CE2-CD1 3.41Å; F164-L171 HydrophobicContact CE2-CD2 4.25Å; F164-L171 HydrophobicContact CE2-CG 3.56Å; F164-L171 HydrophobicContact CZ-CD1 3.64Å; F164-L171 HydrophobicContact CZ-CG 4.26Å; F164-V193 HydrophobicContact CB-CG1 3.56Å; F164-V193 HydrophobicContact CD1-CG1 4.19Å; F164-V193 HydrophobicContact CD2-CG1 4.27Å; F164-V193 HydrophobicContact CG-CG1 3.75Å; F164-I194 PolarHBondContact N-O 3.49Å; F164-E195 HydrophobicContact CD1-CB 4.29Å; F164-E195 HydrophobicContact CD1-CG 4.14Å; F164-E195 CarbonylContact O-C 3.59Å; F164-E195 VanDerWaalsContact O-CA 3.31Å; F164-E195 WeakPolarHBondContact O-CA 3.27Å; F164-Q196 PolarHBondContact O-N 3Å
165R93.6Very high95.6Very high38 Ų3829.1 Ų29.114%0.14313%0.129CC..SBendtrans-164.2125.2164.9-177.9164.473.2-177.710.8110.4R167 Q196 Q200 F202 E328R165-R167 VanDerWaalsContact C-N 3.31Å; R165-R167 WeakPolarHBondContact O-CG 3.36Å; R165-R167 PolarHBondContact O-N 3.04Å; R165-Q196 VanDerWaalsContact CD-O 3.23Å; R165-Q196 WeakPolarHBondContact CD-O 3.33Å; R165-Q200 PolarHBondContact NH1-O 3.38Å; R165-Q200 PolarHBondContact NH2-O 3.11Å; R165-F202 HydrophobicContact CB-CD2 3.85Å; R165-F202 HydrophobicContact CB-CE2 3.75Å; R165-E328 IonicContact CZ-OE1 2.8Å; R165-E328 IonicContact NH2-OE1 3.38Å; R165-E328 PolarHBondContact NH2-OE1 3.24Å
166N88.7Confident95.7Very high109 Ų10926.6 Ų26.658%0.58312%0.123SC*.SBendtrans51.642.1172.8-57.8-21.8000114.3
167R89Confident95.7Very high44 Ų4424.7 Ų24.717%0.16612%0.117CC..  trans-129.138.5177.1-62-62.4-166124.716.8111.8F164 R165 E169 H170 V229 H323F164-R167 HydrophobicContact CD2-CB 4.25Å; F164-R167 VanDerWaalsContact CE2-C 3.45Å; F164-R167 HydrophobicContact CE2-CB 3.62Å; F164-R167 VanDerWaalsContact CE2-O 3.29Å; F164-R167 WeakPolarHBondContact CE2-O 3.47Å; F164-R167 VanDerWaalsContact CZ-C 3.44Å; F164-R167 HydrophobicContact CZ-CB 4.16Å; R165-R167 VanDerWaalsContact C-N 3.31Å; R165-R167 WeakPolarHBondContact O-CG 3.36Å; R165-R167 PolarHBondContact O-N 3.04Å; R167-E169 PolarHBondContact O-N 3.37Å; R167-E169 VanDerWaalsContact O-N 3.16Å; R167-H170 HydrophobicContact CB-CB 4.3Å; R167-H170 PolarHBondContact NH1-CE1 3Å; R167-H170 WeakPolarHBondContact O-CB 3.48Å; R167-H170 PolarHBondContact O-N 3.46Å; R167-V229 HydrophobicContact CB-CG1 4.22Å; R167-V229 HydrophobicContact CG-CG1 4.47Å; R167-H323 PolarHBondContact NH1-ND1 3.44Å
168H89.8Confident95.7Very high104 Ų10421.7 Ų21.748%0.48110%0.104SC..THydrogen-bonded Turntrans-62-26.9-169.9-63.4-78.1000112.6F164 H170 P172F164-H168 AromaticContact CE1-CE1 3.52Å; F164-H168 AromaticContact CE1-ND1 3.76Å; F164-H168 AromaticContact CE1-NE2 3.94Å; F164-H168 HydrophobicContact CZ-CB 4.48Å; F164-H168 AromaticContact CZ-CE1 3.84Å; F164-H168 AromaticContact CZ-CG 3.9Å; F164-H168 AromaticContact CZ-ND1 3.6Å; H168-H170 VanDerWaalsContact C-N 3.29Å; H168-H170 PolarHBondContact O-N 2.95Å; H168-P172 WeakPolarHBondContact O-CD 3.23Å
169E91.6Very high95.6Very high55 Ų5521.9 Ų21.926%0.25711%0.105SC..THydrogen-bonded Turntrans-68.4-21.9173.865-86.9-150.900113.7R167 H325R167-E169 PolarHBondContact O-N 3.37Å; R167-E169 VanDerWaalsContact O-N 3.16Å; E169-H325 IonicContact OE1-CD2 2.72Å; E169-H325 PolarHBondContact OE1-CD2 3.29Å; E169-H325 IonicContact OE1-NE2 3.99Å; E169-H325 PolarHBondContact OE1-NE2 3.42Å
170H94Very high95.5Very high4 Ų423.9 Ų23.92%0.01912%0.118CC..Hα-helixtrans-85.4-34.6-179.7-66.1-172.5000113R167 H168 I173 F174 V229 I321 H323R167-H170 HydrophobicContact CB-CB 4.3Å; R167-H170 PolarHBondContact NH1-CE1 3Å; R167-H170 WeakPolarHBondContact O-CB 3.48Å; R167-H170 PolarHBondContact O-N 3.46Å; H168-H170 VanDerWaalsContact C-N 3.29Å; H168-H170 PolarHBondContact O-N 2.95Å; H170-I173 PolarHBondContact O-N 3.36Å; H170-F174 WeakPolarHBondContact O-CB 3.33Å; H170-F174 PolarHBondContact O-N 3.06Å; H170-V229 HydrophobicContact CB-CG1 4.1Å; H170-V229 HydrophobicContact CB-CG2 3.99Å; H170-I321 HydrophobicContact CB-CD1 4.11Å; H170-H323 AromaticContact CE1-CE1 3.96Å; H170-H323 AromaticContact CE1-ND1 3.48Å; H170-H323 PolarHBondContact CE1-ND1 3.39Å
171L95.3Very high95.4Very high4 Ų424 Ų242%0.02112%0.119CC..Hα-helixtrans-57.6-44.2-177.4-74.4169.5000113.7F128 F164 I173 F174 F175 V193 V229F128-L171 HydrophobicContact CD2-CB 4.39Å; F128-L171 HydrophobicContact CE2-CB 3.86Å; F164-L171 HydrophobicContact CD2-CD1 3.95Å; F164-L171 HydrophobicContact CD2-CD2 4.23Å; F164-L171 HydrophobicContact CD2-CG 4.04Å; F164-L171 HydrophobicContact CE1-CD1 4.35Å; F164-L171 HydrophobicContact CE2-CD1 3.41Å; F164-L171 VanDerWaalsContact CE2-CD1 3.41Å; F164-L171 HydrophobicContact CE2-CD2 4.25Å; F164-L171 HydrophobicContact CE2-CG 3.56Å; F164-L171 HydrophobicContact CZ-CD1 3.64Å; F164-L171 HydrophobicContact CZ-CG 4.26Å; L171-I173 VanDerWaalsContact C-N 3.32Å; L171-I173 PolarHBondContact O-N 2.85Å; L171-F174 WeakPolarHBondContact O-CB 3.44Å; L171-F174 PolarHBondContact O-N 2.9Å; L171-F175 HydrophobicContact CB-CD2 4.44Å; L171-F175 HydrophobicContact CB-CE2 4.13Å; L171-F175 HydrophobicContact CD2-CE2 4.05Å; L171-F175 HydrophobicContact CD2-CZ 4.32Å; L171-F175 WeakPolarHBondContact O-CD2 3.35Å; L171-F175 PolarHBondContact O-N 3.06Å; L171-V193 HydrophobicContact CD1-CG1 4.45Å; L171-V193 HydrophobicContact CD2-CG1 4.46Å; L171-V193 HydrophobicContact CD2-CG2 3.91Å; L171-V229 HydrophobicContact CD2-CG2 3.63Å; L171-V229 HydrophobicContact CG-CG2 4.06Å
172P95.9Very high95.3Very high3 Ų324.1 Ų24.12%0.01912%0.119CC..Hα-helixtrans-54.7-47.7174.3-19.623.3000112.5V126 F128 I131 H168 F174 F175 L176V126-P172 HydrophobicContact CG1-CB 3.52Å; V126-P172 WeakPolarHBondContact O-CB 3.48Å; V126-P172 VanDerWaalsContact O-CG 3.27Å; V126-P172 WeakPolarHBondContact O-CG 3.47Å; F128-P172 HydrophobicContact CB-CG 4.25Å; F128-P172 HydrophobicContact CD2-CB 4.31Å; F128-P172 HydrophobicContact CD2-CG 3.69Å; F128-P172 HydrophobicContact CG-CG 4.45Å; I131-P172 HydrophobicContact CG1-CB 3.72Å; H168-P172 WeakPolarHBondContact O-CD 3.23Å; P172-F174 VanDerWaalsContact C-N 3.34Å; P172-F174 PolarHBondContact O-N 3.4Å; P172-F175 PolarHBondContact O-N 2.91Å; P172-L176 WeakPolarHBondContact O-CB 3.46Å; P172-L176 PolarHBondContact O-N 3.03Å
173I96.6Very high95.2Very high6 Ų625.6 Ų25.63%0.03113%0.126CC..Hα-helixtrans-65.2-41.4-179.8-53.8174.4000109.8N122 V126 H170 L171 L176 H177 L232 I321N122-I173 WeakPolarHBondContact O-CG2 3.49Å; V126-I173 HydrophobicContact CG1-CG1 3.98Å; H170-I173 PolarHBondContact O-N 3.36Å; L171-I173 VanDerWaalsContact C-N 3.32Å; L171-I173 PolarHBondContact O-N 2.85Å; I173-L176 WeakPolarHBondContact O-CB 3.36Å; I173-L176 PolarHBondContact O-N 3.13Å; I173-H177 PolarHBondContact O-N 2.83Å; I173-H177 PolarHBondContact O-ND1 2.85Å; I173-L232 HydrophobicContact CG2-CD1 3.66Å; I173-I321 HydrophobicContact CB-CD1 3.93Å; I173-I321 HydrophobicContact CD1-CD1 4.3Å; I173-I321 HydrophobicContact CD1-CG2 4.3Å; I173-I321 HydrophobicContact CG2-CD1 3.87Å; I173-I321 HydrophobicContact CG2-CG1 4.49Å
174F97.3Very high95Very high0 Ų028.4 Ų28.40%014%0.137CC..Hα-helixtrans-56.1-55.3175.5176.2-85.4000111.7V160 I162 H170 L171 P172 L176 H177 L178 F191 H227 V229V160-F174 HydrophobicContact CG1-CZ 4.31Å; I162-F174 HydrophobicContact CD1-CD1 4.35Å; I162-F174 HydrophobicContact CD1-CE1 3.54Å; I162-F174 HydrophobicContact CD1-CE2 4.42Å; I162-F174 HydrophobicContact CD1-CZ 3.58Å; I162-F174 HydrophobicContact CG1-CE1 4.31Å; I162-F174 HydrophobicContact CG1-CE2 4.35Å; I162-F174 HydrophobicContact CG1-CZ 3.85Å; H170-F174 WeakPolarHBondContact O-CB 3.33Å; H170-F174 PolarHBondContact O-N 3.06Å; L171-F174 WeakPolarHBondContact O-CB 3.44Å; L171-F174 PolarHBondContact O-N 2.9Å; P172-F174 VanDerWaalsContact C-N 3.34Å; P172-F174 PolarHBondContact O-N 3.4Å; F174-L176 VanDerWaalsContact C-N 3.34Å; F174-L176 PolarHBondContact O-N 3.37Å; F174-H177 PolarHBondContact O-N 3.35Å; F174-L178 HydrophobicContact CD2-CD2 4.09Å; F174-L178 HydrophobicContact CD2-CG 4.4Å; F174-L178 HydrophobicContact CE1-CB 4.15Å; F174-L178 HydrophobicContact CE1-CG 4.19Å; F174-L178 HydrophobicContact CE2-CD2 4.08Å; F174-L178 HydrophobicContact CE2-CG 3.97Å; F174-L178 HydrophobicContact CG-CD2 4.47Å; F174-L178 HydrophobicContact CZ-CB 4.29Å; F174-L178 HydrophobicContact CZ-CD2 4.42Å; F174-L178 HydrophobicContact CZ-CG 3.84Å; F174-L178 WeakPolarHBondContact O-CB 3.31Å; F174-L178 WeakPolarHBondContact O-CD2 3.46Å; F174-L178 PolarHBondContact O-N 2.76Å; F174-F191 AromaticContact CE1-CD1 3.84Å; F174-F191 HydrophobicContact CE1-CD1 3.84Å; F174-F191 AromaticContact CE1-CE1 3.68Å; F174-F191 HydrophobicContact CE1-CE1 3.68Å; F174-F191 HydrophobicContact CE1-CZ 4.48Å; F174-F191 HydrophobicContact CZ-CD1 4.28Å; F174-F191 HydrophobicContact CZ-CE1 4.07Å; F174-H227 AromaticContact CE2-CE1 3.48Å; F174-H227 VanDerWaalsContact CE2-CE1 3.48Å; F174-H227 WeakPolarHBondContact CE2-CE1 3.41Å; F174-H227 AromaticContact CE2-CG 3.97Å; F174-H227 AromaticContact CE2-ND1 3.46Å; F174-H227 WeakPolarHBondContact CE2-ND1 3.37Å; F174-V229 HydrophobicContact CB-CG2 4.25Å; F174-V229 HydrophobicContact CD2-CG2 4.42Å; F174-V229 HydrophobicContact CG-CG2 4.43Å
175F97.5Very high94.9Very high0 Ų028.2 Ų28.20%014%0.136CC..Hα-helixtrans-65.8-36.4-177.5-69.3-55.9000112.6F128 I131 L171 P172 H177 I179 F191 V193 Y365F128-F175 AromaticContact CE2-CD2 3.85Å; F128-F175 HydrophobicContact CE2-CD2 3.85Å; F128-F175 AromaticContact CE2-CE2 3.9Å; F128-F175 HydrophobicContact CE2-CE2 3.9Å; F128-F175 AromaticContact CZ-CD2 3.99Å; F128-F175 HydrophobicContact CZ-CD2 3.99Å; F128-F175 AromaticContact CZ-CE2 3.87Å; F128-F175 HydrophobicContact CZ-CE2 3.87Å; I131-F175 HydrophobicContact CG2-CB 4.12Å; L171-F175 HydrophobicContact CB-CD2 4.44Å; L171-F175 HydrophobicContact CB-CE2 4.13Å; L171-F175 HydrophobicContact CD2-CE2 4.05Å; L171-F175 HydrophobicContact CD2-CZ 4.32Å; L171-F175 WeakPolarHBondContact O-CD2 3.35Å; L171-F175 PolarHBondContact O-N 3.06Å; P172-F175 PolarHBondContact O-N 2.91Å; F175-H177 PolarHBondContact O-N 3.37Å; F175-I179 HydrophobicContact CB-CD1 3.81Å; F175-I179 HydrophobicContact CB-CG1 4.42Å; F175-I179 HydrophobicContact CD1-CD1 4.06Å; F175-I179 HydrophobicContact CD1-CG1 4.31Å; F175-I179 HydrophobicContact CG-CD1 4.28Å; F175-I179 WeakPolarHBondContact O-CB 3.49Å; F175-I179 PolarHBondContact O-N 3.19Å; F175-I179 VanDerWaalsContact O-N 3.14Å; F175-F191 HydrophobicContact CD1-CD2 4.22Å; F175-F191 HydrophobicContact CD1-CE2 4.25Å; F175-F191 HydrophobicContact CD1-CG 4.44Å; F175-F191 HydrophobicContact CE1-CB 3.97Å; F175-F191 HydrophobicContact CE1-CD1 4.15Å; F175-F191 AromaticContact CE1-CD2 3.86Å; F175-F191 HydrophobicContact CE1-CD2 3.86Å; F175-F191 HydrophobicContact CE1-CE2 4.33Å; F175-F191 AromaticContact CE1-CG 3.74Å; F175-F191 HydrophobicContact CE1-CG 3.74Å; F175-V193 HydrophobicContact CZ-CG2 4.33Å; F175-Y365 AromaticContact CE2-CD1 3.79Å; F175-Y365 HydrophobicContact CE2-CD1 3.79Å; F175-Y365 HydrophobicContact CE2-CE1 4.29Å; F175-Y365 HydrophobicContact CE2-CG 4.3Å; F175-Y365 AromaticContact CZ-CD1 3.7Å; F175-Y365 HydrophobicContact CZ-CD1 3.7Å; F175-Y365 AromaticContact CZ-CG 3.79Å; F175-Y365 HydrophobicContact CZ-CG 3.79Å
176L96.6Very high95Very high50 Ų5028.6 Ų28.626%0.26214%0.138SC..Hα-helixtrans-53.8-36.1174.9-179.962.2000112.6I131 L134 P172 I173 F174 P180I131-L176 HydrophobicContact CD1-CB 3.86Å; I131-L176 HydrophobicContact CD1-CD1 3.95Å; I131-L176 HydrophobicContact CD1-CD2 4.4Å; I131-L176 HydrophobicContact CD1-CG 4.28Å; L134-L176 HydrophobicContact CD2-CD1 3.63Å; P172-L176 WeakPolarHBondContact O-CB 3.46Å; P172-L176 PolarHBondContact O-N 3.03Å; I173-L176 WeakPolarHBondContact O-CB 3.36Å; I173-L176 PolarHBondContact O-N 3.13Å; F174-L176 VanDerWaalsContact C-N 3.34Å; F174-L176 PolarHBondContact O-N 3.37Å; L176-P180 WeakPolarHBondContact O-CD 3.37Å; L176-P180 WeakPolarHBondContact O-CG 3.48Å
177H97.1Very high95.4Very high25 Ų2523.4 Ų23.412%0.11611%0.11CC..Hα-helixtrans-95.3-43.9-177.7-65.778.3000112.7N122 I173 F174 F175 M181 L232N122-H177 PolarHBondContact N-NE2 3.49Å; N122-H177 PolarHBondContact O-CE1 2.76Å; N122-H177 PolarHBondContact O-NE2 3.41Å; I173-H177 PolarHBondContact O-N 2.83Å; I173-H177 PolarHBondContact O-ND1 2.85Å; F174-H177 PolarHBondContact O-N 3.35Å; F175-H177 PolarHBondContact O-N 3.37Å; H177-M181 WeakPolarHBondContact O-CB 3.24Å; H177-M181 PolarHBondContact O-N 2.85Å; H177-L232 HydrophobicContact CB-CD2 4.34Å
178L97.9Very high95.8Very high0 Ų021.9 Ų21.90%011%0.105CC..Hα-helixtrans-76.1-40.5-171.4-86.8-62.7000112.4F174 M181 L182 F191 L232 P233 Y240F174-L178 HydrophobicContact CD2-CD2 4.09Å; F174-L178 HydrophobicContact CD2-CG 4.4Å; F174-L178 HydrophobicContact CE1-CB 4.15Å; F174-L178 HydrophobicContact CE1-CG 4.19Å; F174-L178 HydrophobicContact CE2-CD2 4.08Å; F174-L178 HydrophobicContact CE2-CG 3.97Å; F174-L178 HydrophobicContact CG-CD2 4.47Å; F174-L178 HydrophobicContact CZ-CB 4.29Å; F174-L178 HydrophobicContact CZ-CD2 4.42Å; F174-L178 HydrophobicContact CZ-CG 3.84Å; F174-L178 WeakPolarHBondContact O-CB 3.31Å; F174-L178 WeakPolarHBondContact O-CD2 3.46Å; F174-L178 PolarHBondContact O-N 2.76Å; L178-M181 HydrophobicContact CD1-CE 3.74Å; L178-M181 PolarHBondContact O-N 2.82Å; L178-L182 VanDerWaalsContact O-CG 3.31Å; L178-L182 WeakPolarHBondContact O-CG 3.43Å; L178-L182 PolarHBondContact O-N 3Å; L178-F191 HydrophobicContact CB-CE1 4.29Å; L178-F191 HydrophobicContact CB-CZ 4.18Å; L178-L232 HydrophobicContact CD2-CD2 4Å; L178-P233 HydrophobicContact CD1-CG 4.19Å; L178-P233 HydrophobicContact CD2-CG 4.46Å; L178-Y240 HydrophobicContact CD1-CE2 3.85Å
179I97.4Very high96.3Very high4 Ų417.1 Ų17.12%0.0218%0.082CC..Hα-helixtrans-57.5-55.3-178.6-67.7167.1000110.8F135 I141 F175 M181 L182 Q183 F191 L364F135-I179 HydrophobicContact CD1-CD1 4.35Å; F135-I179 HydrophobicContact CD1-CG2 3.94Å; F135-I179 HydrophobicContact CD2-CD1 3.92Å; F135-I179 HydrophobicContact CE1-CB 3.84Å; F135-I179 HydrophobicContact CE1-CD1 4.22Å; F135-I179 HydrophobicContact CE1-CG2 3.47Å; F135-I179 VanDerWaalsContact CE1-CG2 3.47Å; F135-I179 HydrophobicContact CE2-CB 4.47Å; F135-I179 HydrophobicContact CE2-CD1 3.77Å; F135-I179 HydrophobicContact CG-CD1 4.22Å; F135-I179 HydrophobicContact CZ-CB 3.78Å; F135-I179 HydrophobicContact CZ-CD1 3.94Å; F135-I179 HydrophobicContact CZ-CG1 4.43Å; F135-I179 HydrophobicContact CZ-CG2 3.98Å; I141-I179 HydrophobicContact CD1-CG2 3.96Å; F175-I179 HydrophobicContact CB-CD1 3.81Å; F175-I179 HydrophobicContact CB-CG1 4.42Å; F175-I179 HydrophobicContact CD1-CD1 4.06Å; F175-I179 HydrophobicContact CD1-CG1 4.31Å; F175-I179 HydrophobicContact CG-CD1 4.28Å; F175-I179 WeakPolarHBondContact O-CB 3.49Å; F175-I179 PolarHBondContact O-N 3.19Å; F175-I179 VanDerWaalsContact O-N 3.14Å; I179-M181 VanDerWaalsContact C-N 3.27Å; I179-M181 PolarHBondContact O-N 2.89Å; I179-L182 PolarHBondContact O-N 2.86Å; I179-Q183 HydrophobicContact CG2-CG 4.28Å; I179-Q183 WeakPolarHBondContact O-CB 3.23Å; I179-Q183 VanDerWaalsContact O-CG 3.24Å; I179-Q183 WeakPolarHBondContact O-CG 3.2Å; I179-Q183 PolarHBondContact O-N 2.92Å; I179-F191 HydrophobicContact CG1-CE2 3.67Å; I179-F191 HydrophobicContact CG1-CZ 4.11Å; I179-L364 HydrophobicContact CD1-CD2 4.14Å
180P95.7Very high96.6Very high43 Ų4314.5 Ų14.528%0.2797%0.071SC..Hα-helixtrans-65.3-31.3-178.4-21.135.1000112.7F135 L176 K184F135-P180 HydrophobicContact CE1-CG 4.19Å; F135-P180 HydrophobicContact CZ-CG 4.08Å; L176-P180 WeakPolarHBondContact O-CD 3.37Å; L176-P180 WeakPolarHBondContact O-CG 3.48Å; P180-K184 WeakPolarHBondContact O-CB 3.37Å; P180-K184 VanDerWaalsContact O-CG 3.24Å; P180-K184 WeakPolarHBondContact O-CG 3.09Å; P180-K184 PolarHBondContact O-N 3.22Å
181M96.8Very high96.8Very high3 Ų314.4 Ų14.42%0.0157%0.07CC..Hα-helixtrans-65.8-50.1176.5-172.5-165.580.100111.3L119 H177 L178 I179 K184 Q185 P233 D236 Y240L119-M181 HydrophobicContact CD1-CG 4.37Å; L119-M181 HydrophobicContact CD1-SD 4.44Å; H177-M181 WeakPolarHBondContact O-CB 3.24Å; H177-M181 PolarHBondContact O-N 2.85Å; L178-M181 HydrophobicContact CD1-CE 3.74Å; L178-M181 PolarHBondContact O-N 2.82Å; I179-M181 VanDerWaalsContact C-N 3.27Å; I179-M181 PolarHBondContact O-N 2.89Å; M181-K184 WeakPolarHBondContact O-CB 3.48Å; M181-K184 PolarHBondContact O-N 2.84Å; M181-Q185 WeakPolarHBondContact O-CG 3.4Å; M181-Q185 PolarHBondContact O-N 3.45Å; M181-P233 HydrophobicContact CE-CG 4.09Å; M181-P233 HydrophobicContact SD-CB 3.93Å; M181-P233 HydrophobicContact SD-CG 3.35Å; M181-P233 WeakPolarHBondContact SD-CG 3.36Å; M181-D236 HydrophobicContact CG-CB 4.04Å; M181-Y240 HydrophobicContact CE-CD1 3.73Å; M181-Y240 HydrophobicContact CE-CD2 4.02Å; M181-Y240 HydrophobicContact CE-CE1 3.72Å; M181-Y240 HydrophobicContact CE-CE2 4.02Å; M181-Y240 HydrophobicContact CE-CG 3.87Å
182L97.2Very high97Very high1 Ų114.3 Ų14.31%0.0057%0.069CC..Hα-helixtrans-68.6-36-177.8-61.8-179.9000111.9V160 L178 I179 Q185 R186 L187 F189 F191 Y240V160-L182 HydrophobicContact CG2-CD1 4.14Å; L178-L182 VanDerWaalsContact O-CG 3.31Å; L178-L182 WeakPolarHBondContact O-CG 3.43Å; L178-L182 PolarHBondContact O-N 3Å; I179-L182 PolarHBondContact O-N 2.86Å; L182-Q185 CarbonylContact O-C 3.47Å; L182-Q185 WeakPolarHBondContact O-CA 3.4Å; L182-Q185 PolarHBondContact O-N 2.66Å; L182-Q185 VanDerWaalsContact O-N 3.1Å; L182-R186 PolarHBondContact O-N 3.36Å; L182-L187 HydrophobicContact CD2-CD1 3.84Å; L182-L187 PolarHBondContact O-N 3.08Å; L182-F189 HydrophobicContact CB-CD1 3.55Å; L182-F189 HydrophobicContact CB-CE1 3.37Å; L182-F189 HydrophobicContact CB-CE2 4.41Å; L182-F189 HydrophobicContact CB-CG 4.13Å; L182-F189 HydrophobicContact CB-CZ 3.84Å; L182-F189 HydrophobicContact CD1-CB 4.41Å; L182-F189 HydrophobicContact CD1-CD1 4.19Å; L182-F189 HydrophobicContact CD1-CD2 3.92Å; L182-F189 HydrophobicContact CD1-CE1 4.47Å; L182-F189 HydrophobicContact CD1-CE2 4.25Å; L182-F189 HydrophobicContact CD1-CG 3.9Å; L182-F189 HydrophobicContact CD1-CZ 4.49Å; L182-F189 HydrophobicContact CG-CD1 4.5Å; L182-F191 HydrophobicContact CD1-CE1 3.9Å; L182-F191 HydrophobicContact CD1-CZ 3.64Å; L182-Y240 HydrophobicContact CD2-CD2 3.6Å; L182-Y240 HydrophobicContact CD2-CE2 4.48Å; L182-Y240 HydrophobicContact CD2-CG 3.79Å
183Q96.1Very high97.1Very high32 Ų3214.2 Ų14.215%0.157%0.069CC..Hα-helixtrans-60.5-45.3171.7-71.9179.5-32.800111.6D138 W147 I179 Q185 R186 F189D138-Q183 PolarHBondContact OD2-NE2 3.28Å; W147-Q183 HydrophobicContact CD2-CG 3.75Å; W147-Q183 HydrophobicContact CE3-CG 4.13Å; W147-Q183 HydrophobicContact CG-CG 4.12Å; W147-Q183 HydrophobicContact CH2-CB 4.2Å; W147-Q183 HydrophobicContact CH2-CG 4.39Å; W147-Q183 HydrophobicContact CZ2-CB 4.15Å; W147-Q183 HydrophobicContact CZ2-CG 4.05Å; W147-Q183 HydrophobicContact CZ3-CB 4.44Å; W147-Q183 HydrophobicContact CZ3-CG 4.43Å; I179-Q183 HydrophobicContact CG2-CG 4.28Å; I179-Q183 WeakPolarHBondContact O-CB 3.23Å; I179-Q183 VanDerWaalsContact O-CG 3.24Å; I179-Q183 WeakPolarHBondContact O-CG 3.2Å; I179-Q183 PolarHBondContact O-N 2.92Å; Q183-Q185 PolarHBondContact O-N 3.3Å; Q183-R186 PolarHBondContact O-N 2.96Å; Q183-F189 HydrophobicContact CG-CE1 4.15Å; Q183-F189 HydrophobicContact CG-CZ 4.06Å
184K94.2Very high97.2Very high68 Ų6813.9 Ų13.930%0.2967%0.067SC..Hα-helixtrans-58.8-39.3172.6-78.3173.8-174.9176.40111.2L112 Y114 P180 M181 R186 D236L112-K184 WeakPolarHBondContact CD1-O 3.43Å; Y114-K184 HydrophobicContact CD2-CB 4.15Å; Y114-K184 HydrophobicContact CD2-CG 4.02Å; Y114-K184 HydrophobicContact CE2-CB 3.72Å; Y114-K184 HydrophobicContact CE2-CG 3.99Å; Y114-K184 WeakPolarHBondContact CE2-O 3.42Å; Y114-K184 VanDerWaalsContact CZ-O 3.3Å; Y114-K184 PolarHBondContact OH-O 3.05Å; P180-K184 WeakPolarHBondContact O-CB 3.37Å; P180-K184 VanDerWaalsContact O-CG 3.24Å; P180-K184 WeakPolarHBondContact O-CG 3.09Å; P180-K184 PolarHBondContact O-N 3.22Å; M181-K184 WeakPolarHBondContact O-CB 3.48Å; M181-K184 PolarHBondContact O-N 2.84Å; K184-R186 PolarHBondContact O-N 3Å; K184-R186 VanDerWaalsContact O-N 3.16Å; K184-D236 IonicContact NZ-OD2 3.24Å
185Q95.3Very high97.3Very high0 Ų015.7 Ų15.70%08%0.076CC..THydrogen-bonded Turntrans-71.2-3.1177-67.6178.42.800114.2M115 M181 L182 Q183 L187 D236 N238 Y239M115-Q185 HydrophobicContact CE-CB 4.17Å; M115-Q185 HydrophobicContact CE-CG 3.77Å; M181-Q185 WeakPolarHBondContact O-CG 3.4Å; M181-Q185 PolarHBondContact O-N 3.45Å; L182-Q185 CarbonylContact O-C 3.47Å; L182-Q185 WeakPolarHBondContact O-CA 3.4Å; L182-Q185 PolarHBondContact O-N 2.66Å; L182-Q185 VanDerWaalsContact O-N 3.1Å; Q183-Q185 PolarHBondContact O-N 3.3Å; Q185-L187 HydrophobicContact CB-CD1 3.92Å; Q185-L187 HydrophobicContact CB-CG 3.93Å; Q185-L187 PolarHBondContact O-N 3.46Å; Q185-D236 PolarHBondContact NE2-O 3.45Å; Q185-N238 PolarHBondContact NE2-O 3.22Å; Q185-Y239 HydrophobicContact CB-CD2 3.9Å; Q185-Y239 HydrophobicContact CB-CE2 3.81Å; Q185-Y239 HydrophobicContact CG-CD2 3.89Å; Q185-Y239 HydrophobicContact CG-CE2 4.32Å; Q185-Y239 WeakPolarHBondContact O-CE2 3.11Å
186R95.2Very high97.3Very high46 Ų4615.8 Ų15.817%0.1748%0.076CC..THydrogen-bonded Turntrans52.836.4178.7-57.7-65.4-174.415214.6112.7C108 L112 Y114 P149 D151 L182 Q183 K184C108-R186 HydrophobicContact CB-CB 3.86Å; L112-R186 HydrophobicContact CD1-CB 4.23Å; L112-R186 HydrophobicContact CD1-CG 3.59Å; Y114-R186 WeakPolarHBondContact OH-CG 3.44Å; Y114-R186 PolarHBondContact OH-NE 3.32Å; P149-R186 HydrophobicContact CB-CB 4.4Å; P149-R186 HydrophobicContact CG-CB 4.35Å; D151-R186 IonicContact OD1-CZ 3.5Å; D151-R186 IonicContact OD1-NH1 2.67Å; D151-R186 PolarHBondContact OD1-NH1 2.86Å; D151-R186 IonicContact OD1-NH2 3.98Å; D151-R186 IonicContact OD2-CZ 3.04Å; D151-R186 IonicContact OD2-NH1 3.09Å; D151-R186 PolarHBondContact OD2-NH1 2.89Å; D151-R186 IonicContact OD2-NH2 2.73Å; D151-R186 PolarHBondContact OD2-NH2 2.94Å; L182-R186 PolarHBondContact O-N 3.36Å; Q183-R186 PolarHBondContact O-N 2.96Å; K184-R186 PolarHBondContact O-N 3Å; K184-R186 VanDerWaalsContact O-N 3.16Å
187L96.7Very high97.2Very high0 Ų016 Ų160%08%0.079CC..  trans-82.4146.5173.8-62.4169.9000109.1W147 W156 V158 L182 Q185 F189 Y239W147-L187 WeakPolarHBondContact CZ3-O 3.45Å; W156-L187 HydrophobicContact CB-CD2 3.96Å; V158-L187 HydrophobicContact CG2-CD1 4.39Å; V158-L187 HydrophobicContact CG2-CD2 4.14Å; L182-L187 HydrophobicContact CD2-CD1 3.84Å; L182-L187 PolarHBondContact O-N 3.08Å; Q185-L187 HydrophobicContact CB-CD1 3.92Å; Q185-L187 HydrophobicContact CB-CG 3.93Å; Q185-L187 PolarHBondContact O-N 3.46Å; L187-F189 HydrophobicContact CB-CD1 4.21Å; L187-F189 WeakPolarHBondContact O-CD1 3.43Å; L187-Y239 HydrophobicContact CD2-CE1 4.45Å; L187-Y239 HydrophobicContact CD2-CE2 4.01Å; L187-Y239 WeakPolarHBondContact CD2-OH 3.38Å; L187-Y239 HydrophobicContact CG-CE2 4.39Å
188E98.3Very high97Very high12 Ų1217 Ų176%0.05610%0.097CC..EExtended strand (participates in β ladder)trans-82.8123.9156.4172.9174.3159.200106.6H146 W147 R148 P154 W156 K157 V158 W221H146-E188 IonicContact CE1-OE1 3.92Å; H146-E188 IonicContact NE2-OE1 3.36Å; W147-E188 CarbonylContact O-C 3.55Å; W147-E188 VanDerWaalsContact O-CA 3.27Å; W147-E188 WeakPolarHBondContact O-CA 3.22Å; R148-E188 HydrophobicContact CB-CB 4.04Å; R148-E188 HydrophobicContact CB-CG 4Å; P154-E188 HydrophobicContact CB-CB 3.7Å; P154-E188 HydrophobicContact CG-CB 3.8Å; P154-E188 WeakPolarHBondContact CG-OE2 3.32Å; W156-E188 PolarHBondContact O-N 3.31Å; W156-E188 VanDerWaalsContact O-N 3.08Å; K157-E188 CarbonylContact C-O 3.51Å; K157-E188 VanDerWaalsContact CA-O 3.27Å; K157-E188 WeakPolarHBondContact CA-O 3.24Å; K157-E188 WeakPolarHBondContact CE-OE1 3.38Å; K157-E188 WeakPolarHBondContact CE-OE2 3.32Å; K157-E188 HydrophobicContact CG-CB 4.1Å; K157-E188 HydrophobicContact CG-CG 4.13Å; K157-E188 IonicContact NZ-OE1 2.82Å; K157-E188 PolarHBondContact NZ-OE1 3.26Å; K157-E188 IonicContact NZ-OE2 3.31Å; K157-E188 PolarHBondContact NZ-OE2 3.01Å; V158-E188 PolarHBondContact N-O 2.84Å; E188-W221 HydrophobicContact CG-CZ3 4.4Å
189F98.7Very high96.7Very high3 Ų323.8 Ų23.81%0.01314%0.139CC..EExtended strand (participates in β ladder)trans-145.5159.8-175.666.1-94.9000112.5H146 W147 V158 L182 Q183 L187 F191H146-F189 CarbonylContact C-O 3.49Å; H146-F189 VanDerWaalsContact CA-O 3.27Å; H146-F189 WeakPolarHBondContact CA-O 3.16Å; W147-F189 HydrophobicContact CB-CE1 3.9Å; W147-F189 HydrophobicContact CB-CE2 4.05Å; W147-F189 HydrophobicContact CB-CZ 3.65Å; W147-F189 HydrophobicContact CD2-CE1 4.06Å; W147-F189 HydrophobicContact CD2-CZ 4.43Å; W147-F189 HydrophobicContact CE3-CD1 4.1Å; W147-F189 AromaticContact CE3-CE1 3.53Å; W147-F189 HydrophobicContact CE3-CE1 3.53Å; W147-F189 HydrophobicContact CE3-CZ 4.34Å; W147-F189 HydrophobicContact CG-CE1 4.23Å; W147-F189 HydrophobicContact CG-CZ 4.18Å; W147-F189 HydrophobicContact CZ3-CE1 4.37Å; W147-F189 PolarHBondContact N-O 2.83Å; W147-F189 PolarHBondContact O-N 3.38Å; V158-F189 HydrophobicContact CB-CB 4.44Å; V158-F189 WeakPolarHBondContact O-CA 3.2Å; V158-F189 WeakPolarHBondContact O-CB 3.37Å; L182-F189 HydrophobicContact CB-CD1 3.55Å; L182-F189 HydrophobicContact CB-CE1 3.37Å; L182-F189 HydrophobicContact CB-CE2 4.41Å; L182-F189 HydrophobicContact CB-CG 4.13Å; L182-F189 HydrophobicContact CB-CZ 3.84Å; L182-F189 HydrophobicContact CD1-CB 4.41Å; L182-F189 HydrophobicContact CD1-CD1 4.19Å; L182-F189 HydrophobicContact CD1-CD2 3.92Å; L182-F189 HydrophobicContact CD1-CE1 4.47Å; L182-F189 HydrophobicContact CD1-CE2 4.25Å; L182-F189 HydrophobicContact CD1-CG 3.9Å; L182-F189 HydrophobicContact CD1-CZ 4.49Å; L182-F189 HydrophobicContact CG-CD1 4.5Å; Q183-F189 HydrophobicContact CG-CE1 4.15Å; Q183-F189 HydrophobicContact CG-CZ 4.06Å; L187-F189 HydrophobicContact CB-CD1 4.21Å; L187-F189 WeakPolarHBondContact O-CD1 3.43Å; F189-F191 HydrophobicContact CD2-CD2 4.27Å; F189-F191 AromaticContact CD2-CE2 3.76Å; F189-F191 HydrophobicContact CD2-CE2 3.76Å; F189-F191 HydrophobicContact CD2-CZ 4.06Å; F189-F191 HydrophobicContact CE2-CD2 4.19Å; F189-F191 AromaticContact CE2-CE2 3.41Å; F189-F191 HydrophobicContact CE2-CE2 3.41Å; F189-F191 VanDerWaalsContact CE2-CE2 3.41Å; F189-F191 AromaticContact CE2-CZ 3.9Å; F189-F191 HydrophobicContact CE2-CZ 3.9Å
190A98.7Very high96.4Very high1 Ų126.6 Ų26.61%0.00815%0.152CC..EExtended strand (participates in β ladder)trans-143.1156.9165.900000110.4H146 V158 V160 Y192 W221H146-A190 HydrophobicContact CB-CB 4.29Å; V158-A190 PolarHBondContact O-N 3.47Å; V160-A190 PolarHBondContact N-O 2.81Å; A190-Y192 HydrophobicContact CB-CE2 4.02Å; A190-W221 HydrophobicContact CB-CH2 3.52Å; A190-W221 HydrophobicContact CB-CZ2 3.55Å
191F98.8Very high96.2Very high1 Ų127 Ų270%0.00415%0.154CC..EExtended strand (participates in β ladder)trans-108131.7179.7-63.9-76.3000111.3V160 I162 F174 F175 L178 I179 L182 F189 Y365 T366V160-F191 HydrophobicContact CB-CD1 3.68Å; V160-F191 HydrophobicContact CB-CE1 4.01Å; V160-F191 HydrophobicContact CG1-CD1 3.84Å; V160-F191 HydrophobicContact CG1-CE1 4.01Å; V160-F191 HydrophobicContact CG2-CD1 4.27Å; V160-F191 HydrophobicContact CG2-CE1 4.16Å; I162-F191 HydrophobicContact CD1-CB 4.35Å; I162-F191 HydrophobicContact CD1-CD1 4.02Å; F174-F191 AromaticContact CE1-CD1 3.84Å; F174-F191 HydrophobicContact CE1-CD1 3.84Å; F174-F191 AromaticContact CE1-CE1 3.68Å; F174-F191 HydrophobicContact CE1-CE1 3.68Å; F174-F191 HydrophobicContact CE1-CZ 4.48Å; F174-F191 HydrophobicContact CZ-CD1 4.28Å; F174-F191 HydrophobicContact CZ-CE1 4.07Å; F175-F191 HydrophobicContact CD1-CD2 4.22Å; F175-F191 HydrophobicContact CD1-CE2 4.25Å; F175-F191 HydrophobicContact CD1-CG 4.44Å; F175-F191 HydrophobicContact CE1-CB 3.97Å; F175-F191 HydrophobicContact CE1-CD1 4.15Å; F175-F191 AromaticContact CE1-CD2 3.86Å; F175-F191 HydrophobicContact CE1-CD2 3.86Å; F175-F191 HydrophobicContact CE1-CE2 4.33Å; F175-F191 AromaticContact CE1-CG 3.74Å; F175-F191 HydrophobicContact CE1-CG 3.74Å; L178-F191 HydrophobicContact CB-CE1 4.29Å; L178-F191 HydrophobicContact CB-CZ 4.18Å; I179-F191 HydrophobicContact CG1-CE2 3.67Å; I179-F191 HydrophobicContact CG1-CZ 4.11Å; L182-F191 HydrophobicContact CD1-CE1 3.9Å; L182-F191 HydrophobicContact CD1-CZ 3.64Å; F189-F191 HydrophobicContact CD2-CD2 4.27Å; F189-F191 AromaticContact CD2-CE2 3.76Å; F189-F191 HydrophobicContact CD2-CE2 3.76Å; F189-F191 HydrophobicContact CD2-CZ 4.06Å; F189-F191 HydrophobicContact CE2-CD2 4.19Å; F189-F191 AromaticContact CE2-CE2 3.41Å; F189-F191 HydrophobicContact CE2-CE2 3.41Å; F189-F191 VanDerWaalsContact CE2-CE2 3.41Å; F189-F191 AromaticContact CE2-CZ 3.9Å; F189-F191 HydrophobicContact CE2-CZ 3.9Å; F191-Y365 WeakPolarHBondContact O-CA 3.26Å; F191-T366 PolarHBondContact O-N 2.79Å
192Y98.9Very high96.1Very high2 Ų228.7 Ų28.71%0.00816%0.161CC..EExtended strand (participates in β ladder)trans-120.5112.4175.1-57.2-89.4000108.7A159 V160 L161 I162 A190 I194 A215 D218 W221 T366 I368A159-Y192 HydrophobicContact CB-CD2 4.1Å; A159-Y192 HydrophobicContact CB-CE2 3.67Å; V160-Y192 PolarHBondContact O-N 2.83Å; L161-Y192 HydrophobicContact CD2-CD2 3.74Å; L161-Y192 HydrophobicContact CD2-CG 4.03Å; I162-Y192 PolarHBondContact N-O 3.43Å; A190-Y192 HydrophobicContact CB-CE2 4.02Å; Y192-I194 VanDerWaalsContact O-CD1 3.27Å; Y192-I194 WeakPolarHBondContact O-CD1 3.35Å; Y192-A215 HydrophobicContact CD1-CB 4.37Å; Y192-A215 HydrophobicContact CD2-CB 3.94Å; Y192-A215 HydrophobicContact CE1-CB 4.11Å; Y192-A215 HydrophobicContact CE2-CB 3.62Å; Y192-A215 HydrophobicContact CG-CB 4.29Å; Y192-D218 HydrophobicContact CE1-CB 4.19Å; Y192-D218 WeakPolarHBondContact CE1-OD2 3.32Å; Y192-D218 PolarHBondContact OH-OD2 3.46Å; Y192-W221 HydrophobicContact CE2-CZ2 4.24Å; Y192-W221 AromaticContact CZ-NE1 3.93Å; Y192-W221 VanDerWaalsContact OH-CZ2 3.25Å; Y192-W221 WeakPolarHBondContact OH-CZ2 3.25Å; Y192-W221 PolarHBondContact OH-NE1 2.89Å; Y192-T366 WeakPolarHBondContact CA-O 3.19Å; Y192-T366 HydrophobicContact CD1-CG2 4.33Å; Y192-I368 HydrophobicContact CD1-CD1 4.02Å
193V98.8Very high96Very high1 Ų128.6 Ų28.61%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-94.5113173.9177.90000107.5I162 F164 L171 F175 Y365 T366 N367 I368I162-V193 HydrophobicContact CB-CG2 4.4Å; I162-V193 HydrophobicContact CD1-CG2 4.05Å; I162-V193 WeakPolarHBondContact O-CA 3.18Å; F164-V193 HydrophobicContact CB-CG1 3.56Å; F164-V193 HydrophobicContact CD1-CG1 4.19Å; F164-V193 HydrophobicContact CD2-CG1 4.27Å; F164-V193 HydrophobicContact CG-CG1 3.75Å; L171-V193 HydrophobicContact CD1-CG1 4.45Å; L171-V193 HydrophobicContact CD2-CG1 4.46Å; L171-V193 HydrophobicContact CD2-CG2 3.91Å; F175-V193 HydrophobicContact CZ-CG2 4.33Å; V193-Y365 HydrophobicContact CB-CD2 3.54Å; V193-Y365 HydrophobicContact CB-CE2 3.78Å; V193-Y365 HydrophobicContact CG1-CE2 4.36Å; V193-Y365 HydrophobicContact CG2-CD2 3.27Å; V193-Y365 HydrophobicContact CG2-CE2 3.76Å; V193-Y365 HydrophobicContact CG2-CG 3.87Å; V193-T366 PolarHBondContact N-O 2.81Å; V193-N367 WeakPolarHBondContact O-CA 3.08Å; V193-N367 PolarHBondContact O-OD1 2.91Å; V193-I368 PolarHBondContact O-N 3.42Å
194I98.8Very high96Very high0 Ų028.3 Ų28.30%016%0.158CC..EExtended strand (participates in β ladder)trans-100.198.8-177.5-51.493.2000108.6L161 I162 F164 Y192 L207 V210 I368 V370L161-I194 HydrophobicContact CB-CD1 4Å; L161-I194 HydrophobicContact CD2-CD1 4.48Å; I162-I194 PolarHBondContact O-N 2.65Å; F164-I194 PolarHBondContact N-O 3.49Å; Y192-I194 VanDerWaalsContact O-CD1 3.27Å; Y192-I194 WeakPolarHBondContact O-CD1 3.35Å; I194-L207 HydrophobicContact CB-CB 4.31Å; I194-L207 HydrophobicContact CB-CD2 4.4Å; I194-L207 HydrophobicContact CG2-CB 4.01Å; I194-L207 HydrophobicContact CG2-CD2 3.56Å; I194-L207 HydrophobicContact CG2-CG 4.39Å; I194-V210 HydrophobicContact CG2-CB 4.17Å; I194-V210 HydrophobicContact CG2-CG1 3.81Å; I194-I368 CarbonylContact C-O 3.47Å; I194-I368 WeakPolarHBondContact CA-O 3.4Å; I194-I368 HydrophobicContact CG1-CD1 4.26Å; I194-V370 HydrophobicContact CG2-CG2 4.16Å
195E98.3Very high96.2Very high38 Ų3825 Ų2518%0.17814%0.144CC..EExtended strand (participates in β ladder)trans-88118.6-174.7-179.8176.3-16100111.5F164 T197 N367 I368 S369 V370F164-E195 HydrophobicContact CD1-CB 4.29Å; F164-E195 HydrophobicContact CD1-CG 4.14Å; F164-E195 CarbonylContact O-C 3.59Å; F164-E195 VanDerWaalsContact O-CA 3.31Å; F164-E195 WeakPolarHBondContact O-CA 3.27Å; E195-T197 HydrophobicContact CG-CG2 4.5Å; E195-T197 PolarHBondContact O-N 3.17Å; E195-N367 PolarHBondContact OE2-ND2 3.42Å; E195-I368 PolarHBondContact N-O 2.91Å; E195-S369 WeakPolarHBondContact O-CA 3.47Å; E195-S369 PolarHBondContact OE2-OG 2.91Å; E195-V370 PolarHBondContact O-N 3.31Å
196Q97.7Very high96.3Very high2 Ų225 Ų251%0.00914%0.144CC..EExtended strand (participates in β ladder)trans-83108.9170.8-168.9175.3-31.400110.4F164 R165 P201 F202 L207F164-Q196 PolarHBondContact O-N 3Å; R165-Q196 VanDerWaalsContact CD-O 3.23Å; R165-Q196 WeakPolarHBondContact CD-O 3.33Å; Q196-P201 PolarHBondContact NE2-O 3.25Å; Q196-F202 HydrophobicContact CB-CD2 4.17Å; Q196-F202 HydrophobicContact CB-CE2 4.18Å; Q196-L207 HydrophobicContact CB-CD1 3.9Å; Q196-L207 HydrophobicContact CB-CD2 3.82Å; Q196-L207 HydrophobicContact CB-CG 4.37Å; Q196-L207 HydrophobicContact CG-CD2 4.46Å
197T95.7Very high96.5Very high53 Ų5322.9 Ų22.933%0.32514%0.136SC..EExtended strand (participates in β ladder)trans-84.4170.4170.266.60000111E195 V370 N371E195-T197 HydrophobicContact CG-CG2 4.5Å; E195-T197 PolarHBondContact O-N 3.17Å; T197-V370 PolarHBondContact N-O 2.9Å; T197-V370 VanDerWaalsContact OG1-C 3.26Å; T197-V370 PolarHBondContact OG1-O 2.94Å; T197-N371 WeakPolarHBondContact OG1-CA 3.37Å; T197-N371 WeakPolarHBondContact OG1-CB 3.33Å; T197-N371 PolarHBondContact OG1-N 3.42Å
198G91.9Very high96.6Very high48 Ų4822.9 Ų22.950%0.49514%0.136SC..SBendtrans84.9-167.8179.500000113.9
199T90.8Very high96.6Very high142 Ų14222.3 Ų22.387%0.87113%0.133SC*.SBendtrans-114.4-4.9-168.754.60000114.3
200Q92.1Very high96.7Very high63 Ų6322.1 Ų22.129%0.29413%0.133SC..SBendtrans-63.1155.2177.8-68.7-61.6-20.200111.3R165 W288 M373R165-Q200 PolarHBondContact NH1-O 3.38Å; R165-Q200 PolarHBondContact NH2-O 3.11Å; Q200-W288 HydrophobicContact CB-CE3 4.16Å; Q200-W288 HydrophobicContact CB-CZ3 3.71Å; Q200-W288 HydrophobicContact CG-CZ3 4.45Å; Q200-M373 HydrophobicContact CG-CG 4.32Å
201P91.9Very high96.7Very high50 Ų5022.1 Ų22.133%0.32513%0.132SC..PPolyproline II helixtrans-51.1148172.5-26.435.3000112Q196 N203 W288Q196-P201 PolarHBondContact NE2-O 3.25Å; P201-N203 PolarHBondContact O-N 3.04Å; P201-W288 HydrophobicContact CB-CB 4.27Å; P201-W288 VanDerWaalsContact O-CE3 3.25Å
202F93.4Very high96.7Very high39 Ų3922.4 Ų22.417%0.17113%0.134CC..PPolyproline II helixtrans-64.3130.4-179.4-170.5-115.9000109.8P163 R165 Q196 R204 L207 G289 E328P163-F202 HydrophobicContact CB-CE1 4.48Å; P163-F202 HydrophobicContact CB-CZ 3.94Å; R165-F202 HydrophobicContact CB-CD2 3.85Å; R165-F202 HydrophobicContact CB-CE2 3.75Å; Q196-F202 HydrophobicContact CB-CD2 4.17Å; Q196-F202 HydrophobicContact CB-CE2 4.18Å; F202-R204 HydrophobicContact CD1-CB 4.13Å; F202-R204 HydrophobicContact CE1-CB 3.8Å; F202-R204 HydrophobicContact CE1-CG 4.34Å; F202-L207 HydrophobicContact CD2-CD1 4Å; F202-L207 HydrophobicContact CE1-CD1 4.33Å; F202-L207 HydrophobicContact CE2-CD1 3.25Å; F202-L207 HydrophobicContact CZ-CD1 3.46Å; F202-L207 VanDerWaalsContact CZ-CD1 3.46Å; F202-G289 PolarHBondContact O-N 3.14Å; F202-E328 HydrophobicContact CB-CG 4.07Å
203N96.1Very high96.7Very high0 Ų025 Ų250%015%0.145CC..  trans-119.179.8179.7-169.3-26000109.8P201 A205 M206 L207 N285 F287 W288P201-N203 PolarHBondContact O-N 3.04Å; N203-A205 VanDerWaalsContact C-N 3.27Å; N203-A205 PolarHBondContact O-N 3.37Å; N203-M206 HydrophobicContact CB-CB 4.13Å; N203-M206 PolarHBondContact O-N 3.47Å; N203-M206 WeakPolarHBondContact OD1-CB 3.48Å; N203-M206 PolarHBondContact OD1-N 3.43Å; N203-L207 VanDerWaalsContact O-CG 3.26Å; N203-L207 WeakPolarHBondContact O-CG 3.39Å; N203-L207 PolarHBondContact O-N 2.83Å; N203-L207 VanDerWaalsContact O-N 3.1Å; N203-N285 PolarHBondContact ND2-O 2.94Å; N203-F287 VanDerWaalsContact CG-O 3.28Å; N203-F287 PolarHBondContact OD1-O 2.65Å; N203-W288 HydrophobicContact CB-CD2 4.16Å; N203-W288 HydrophobicContact CB-CE3 3.9Å; N203-W288 HydrophobicContact CB-CH2 4.2Å; N203-W288 HydrophobicContact CB-CZ2 4.45Å; N203-W288 HydrophobicContact CB-CZ3 3.92Å; N203-W288 WeakPolarHBondContact ND2-CZ2 3.44Å; N203-W288 PolarHBondContact ND2-NE1 2.96Å
204R96.6Very high96.7Very high25 Ų2525.5 Ų25.59%0.09415%0.147CC..Hα-helixtrans-52.9-44.3-179-178176.6170.1-85.1-5.8112.6P163 F202 L207 F208 D228 E293P163-R204 HydrophobicContact CB-CG 4.26Å; P163-R204 HydrophobicContact CG-CG 3.84Å; F202-R204 HydrophobicContact CD1-CB 4.13Å; F202-R204 HydrophobicContact CE1-CB 3.8Å; F202-R204 HydrophobicContact CE1-CG 4.34Å; R204-L207 PolarHBondContact O-N 2.72Å; R204-F208 HydrophobicContact CG-CD2 4.32Å; R204-F208 HydrophobicContact CG-CE2 3.76Å; R204-F208 HydrophobicContact CG-CZ 4.4Å; R204-F208 VanDerWaalsContact CZ-CE2 3.45Å; R204-F208 VanDerWaalsContact O-CD2 3.32Å; R204-F208 WeakPolarHBondContact O-CD2 3.47Å; R204-F208 PolarHBondContact O-N 3.26Å; R204-D228 IonicContact CZ-OD1 3.64Å; R204-D228 IonicContact NE-OD1 2.76Å; R204-D228 PolarHBondContact NE-OD1 3.19Å; R204-D228 IonicContact NE-OD2 3.51Å; R204-D228 IonicContact NH2-OD1 2.81Å; R204-D228 PolarHBondContact NH2-OD1 3.19Å; R204-D228 IonicContact NH2-OD2 2.99Å; R204-E293 WeakPolarHBondContact CD-OE1 3.47Å; R204-E293 IonicContact CZ-OE1 2.7Å; R204-E293 IonicContact NE-OE1 3.92Å; R204-E293 IonicContact NH1-OE1 3.75Å; R204-E293 PolarHBondContact NH1-OE1 2.8Å
205A98Very high96.7Very high0 Ų025.5 Ų25.50%015%0.147CC..Hα-helixtrans-65.4-47.5-17700000112.6N203 L207 F208 N209 F283 P284 E293N203-A205 VanDerWaalsContact C-N 3.27Å; N203-A205 PolarHBondContact O-N 3.37Å; A205-L207 VanDerWaalsContact C-N 3.32Å; A205-L207 PolarHBondContact O-N 3.41Å; A205-F208 PolarHBondContact O-N 3.01Å; A205-N209 PolarHBondContact O-N 3.38Å; A205-F283 HydrophobicContact CB-CB 3.99Å; A205-F283 HydrophobicContact CB-CD1 4.1Å; A205-F283 HydrophobicContact CB-CG 4.33Å; A205-F283 WeakPolarHBondContact O-CB 3.34Å; A205-P284 HydrophobicContact CB-CG 4.45Å; A205-P284 WeakPolarHBondContact CB-O 3.19Å; A205-E293 HydrophobicContact CB-CB 3.79Å; A205-E293 HydrophobicContact CB-CG 3.85Å
206M98.1Very high96.7Very high0 Ų025.7 Ų25.70%015%0.149CC..Hα-helixtrans-65.8-35.5178-168177.1-171.900111.7N203 F208 N209 V210 N285 W288 L353 L372 L376 A377N203-M206 HydrophobicContact CB-CB 4.13Å; N203-M206 PolarHBondContact O-N 3.47Å; N203-M206 WeakPolarHBondContact OD1-CB 3.48Å; N203-M206 PolarHBondContact OD1-N 3.43Å; M206-F208 VanDerWaalsContact C-N 3.33Å; M206-F208 PolarHBondContact O-N 2.98Å; M206-N209 WeakPolarHBondContact O-CB 3.36Å; M206-N209 PolarHBondContact O-N 3.26Å; M206-V210 WeakPolarHBondContact O-CG2 3.28Å; M206-V210 PolarHBondContact O-N 3.5Å; M206-N285 HydrophobicContact CB-CB 4.37Å; M206-N285 HydrophobicContact CG-CB 4.13Å; M206-N285 WeakPolarHBondContact CG-OD1 3.19Å; M206-N285 HydrophobicContact SD-CB 4.32Å; M206-W288 HydrophobicContact SD-CH2 4.17Å; M206-W288 HydrophobicContact SD-CZ2 3.81Å; M206-L353 HydrophobicContact CE-CD1 3.33Å; M206-L353 HydrophobicContact CG-CD1 3.72Å; M206-L353 HydrophobicContact SD-CD1 4.38Å; M206-L372 HydrophobicContact CB-CD1 4.11Å; M206-L372 HydrophobicContact CE-CD2 4.1Å; M206-L372 HydrophobicContact CG-CD1 3.9Å; M206-L372 HydrophobicContact SD-CB 4.18Å; M206-L372 HydrophobicContact SD-CD1 3.97Å; M206-L372 HydrophobicContact SD-CD2 4.23Å; M206-L372 HydrophobicContact SD-CG 4.36Å; M206-L376 HydrophobicContact CE-CB 3.97Å; M206-A377 HydrophobicContact CE-CB 4.07Å
207L98.8Very high96.7Very high0 Ų032.3 Ų32.30%018%0.177CC..Hα-helixtrans-63.4-37174-67164.7000112.4P163 I194 Q196 F202 N203 R204 A205 V210 G211 V370 L372P163-L207 HydrophobicContact CB-CB 3.91Å; P163-L207 HydrophobicContact CB-CD1 3.89Å; I194-L207 HydrophobicContact CB-CB 4.31Å; I194-L207 HydrophobicContact CB-CD2 4.4Å; I194-L207 HydrophobicContact CG2-CB 4.01Å; I194-L207 HydrophobicContact CG2-CD2 3.56Å; I194-L207 HydrophobicContact CG2-CG 4.39Å; Q196-L207 HydrophobicContact CB-CD1 3.9Å; Q196-L207 HydrophobicContact CB-CD2 3.82Å; Q196-L207 HydrophobicContact CB-CG 4.37Å; Q196-L207 HydrophobicContact CG-CD2 4.46Å; F202-L207 HydrophobicContact CD2-CD1 4Å; F202-L207 HydrophobicContact CE1-CD1 4.33Å; F202-L207 HydrophobicContact CE2-CD1 3.25Å; F202-L207 HydrophobicContact CZ-CD1 3.46Å; F202-L207 VanDerWaalsContact CZ-CD1 3.46Å; N203-L207 VanDerWaalsContact O-CG 3.26Å; N203-L207 WeakPolarHBondContact O-CG 3.39Å; N203-L207 PolarHBondContact O-N 2.83Å; N203-L207 VanDerWaalsContact O-N 3.1Å; R204-L207 PolarHBondContact O-N 2.72Å; A205-L207 VanDerWaalsContact C-N 3.32Å; A205-L207 PolarHBondContact O-N 3.41Å; L207-V210 PolarHBondContact O-N 3.01Å; L207-G211 PolarHBondContact O-N 2.99Å; L207-V370 HydrophobicContact CD2-CG2 3.7Å; L207-L372 HydrophobicContact CD2-CD1 3.58Å; L207-L372 HydrophobicContact CG-CD1 3.93Å
208F98.8Very high96.7Very high0 Ų034.4 Ų34.40%019%0.187CC..Hα-helixtrans-65.3-38.8173-72.8-48.8000112.8L161 P163 R204 A205 M206 V210 G211 F212 F226 F283L161-F208 HydrophobicContact CB-CD1 3.98Å; L161-F208 HydrophobicContact CB-CE1 4.31Å; L161-F208 WeakPolarHBondContact O-CE1 3.46Å; P163-F208 HydrophobicContact CB-CE1 4.37Å; P163-F208 HydrophobicContact CB-CZ 4.47Å; P163-F208 VanDerWaalsContact CD-CE1 3.43Å; P163-F208 HydrophobicContact CG-CD1 4.41Å; P163-F208 HydrophobicContact CG-CE1 3.7Å; P163-F208 HydrophobicContact CG-CE2 4.13Å; P163-F208 HydrophobicContact CG-CZ 3.52Å; R204-F208 HydrophobicContact CG-CD2 4.32Å; R204-F208 HydrophobicContact CG-CE2 3.76Å; R204-F208 HydrophobicContact CG-CZ 4.4Å; R204-F208 VanDerWaalsContact CZ-CE2 3.45Å; R204-F208 VanDerWaalsContact O-CD2 3.32Å; R204-F208 WeakPolarHBondContact O-CD2 3.47Å; R204-F208 PolarHBondContact O-N 3.26Å; A205-F208 PolarHBondContact O-N 3.01Å; M206-F208 VanDerWaalsContact C-N 3.33Å; M206-F208 PolarHBondContact O-N 2.98Å; F208-V210 VanDerWaalsContact C-N 3.35Å; F208-G211 PolarHBondContact O-N 3.14Å; F208-F212 WeakPolarHBondContact O-CB 3.26Å; F208-F212 PolarHBondContact O-N 2.76Å; F208-F226 HydrophobicContact CB-CD1 3.82Å; F208-F226 HydrophobicContact CB-CE1 4.04Å; F208-F226 HydrophobicContact CD1-CB 4.03Å; F208-F226 AromaticContact CD1-CD1 3.47Å; F208-F226 HydrophobicContact CD1-CD1 3.47Å; F208-F226 VanDerWaalsContact CD1-CD1 3.47Å; F208-F226 HydrophobicContact CD1-CE1 4.41Å; F208-F226 HydrophobicContact CD1-CG 4.21Å; F208-F226 HydrophobicContact CD2-CB 4.33Å; F208-F226 HydrophobicContact CD2-CD1 4.21Å; F208-F226 HydrophobicContact CE1-CB 3.6Å; F208-F226 AromaticContact CE1-CD1 3.95Å; F208-F226 HydrophobicContact CE1-CD1 3.95Å; F208-F226 HydrophobicContact CE1-CG 4.27Å; F208-F226 HydrophobicContact CE2-CB 3.96Å; F208-F226 HydrophobicContact CG-CB 4.36Å; F208-F226 AromaticContact CG-CD1 3.6Å; F208-F226 HydrophobicContact CG-CD1 3.6Å; F208-F226 HydrophobicContact CG-CE1 4.33Å; F208-F226 HydrophobicContact CG-CG 4.32Å; F208-F226 HydrophobicContact CZ-CB 3.59Å; F208-F283 HydrophobicContact CB-CD2 3.63Å; F208-F283 HydrophobicContact CB-CE2 3.8Å; F208-F283 HydrophobicContact CB-CG 4.43Å; F208-F283 HydrophobicContact CD2-CD2 4.04Å; F208-F283 HydrophobicContact CD2-CE1 4.18Å; F208-F283 AromaticContact CD2-CE2 3.63Å; F208-F283 HydrophobicContact CD2-CE2 3.63Å; F208-F283 AromaticContact CD2-CZ 3.69Å; F208-F283 HydrophobicContact CD2-CZ 3.69Å; F208-F283 HydrophobicContact CE2-CE2 4.43Å; F208-F283 HydrophobicContact CE2-CZ 4.13Å; F208-F283 HydrophobicContact CG-CD2 4.23Å; F208-F283 AromaticContact CG-CE2 3.95Å; F208-F283 HydrophobicContact CG-CE2 3.95Å; F208-F283 HydrophobicContact CG-CZ 4.44Å
209N98.9Very high96.9Very high0 Ų033.7 Ų33.70%017%0.174CC..Hα-helixtrans-63.9-40.7174.4-75.2-19.9000111.9A205 M206 K213 F277 F283 N285 L350 L353A205-N209 PolarHBondContact O-N 3.38Å; M206-N209 WeakPolarHBondContact O-CB 3.36Å; M206-N209 PolarHBondContact O-N 3.26Å; N209-K213 PolarHBondContact O-N 3.49Å; N209-F277 WeakPolarHBondContact OD1-CZ 3.44Å; N209-F283 PolarHBondContact ND2-O 2.83Å; N209-F283 PolarHBondContact OD1-N 2.83Å; N209-N285 PolarHBondContact ND2-OD1 2.8Å; N209-L350 HydrophobicContact CB-CD2 3.94Å; N209-L353 HydrophobicContact CB-CD2 3.5Å; N209-L353 VanDerWaalsContact CB-CD2 3.5Å
210V98.9Very high97.3Very high0 Ų032.6 Ų32.60%017%0.167CC..Hα-helixtrans-60.3-51.9172.4168.30000110.4I194 M206 L207 F208 F212 K213 E214 L353 Y355 I368 V370 L372I194-V210 HydrophobicContact CG2-CB 4.17Å; I194-V210 HydrophobicContact CG2-CG1 3.81Å; M206-V210 WeakPolarHBondContact O-CG2 3.28Å; M206-V210 PolarHBondContact O-N 3.5Å; L207-V210 PolarHBondContact O-N 3.01Å; F208-V210 VanDerWaalsContact C-N 3.35Å; V210-F212 VanDerWaalsContact C-N 3.29Å; V210-F212 PolarHBondContact O-N 3.32Å; V210-K213 PolarHBondContact O-N 3.4Å; V210-K213 VanDerWaalsContact O-N 3.13Å; V210-E214 PolarHBondContact O-N 2.87Å; V210-L353 HydrophobicContact CG2-CD1 4.17Å; V210-L353 HydrophobicContact CG2-CD2 3.83Å; V210-Y355 HydrophobicContact CB-CE2 4.47Å; V210-Y355 HydrophobicContact CG1-CD2 3.88Å; V210-Y355 HydrophobicContact CG1-CE2 3.79Å; V210-Y355 HydrophobicContact CG2-CD1 4.09Å; V210-Y355 HydrophobicContact CG2-CD2 3.98Å; V210-Y355 HydrophobicContact CG2-CE1 4.46Å; V210-Y355 HydrophobicContact CG2-CE2 4.34Å; V210-Y355 HydrophobicContact CG2-CG 3.86Å; V210-I368 HydrophobicContact CG1-CG2 4.06Å; V210-V370 HydrophobicContact CG1-CG1 3.9Å; V210-V370 HydrophobicContact CG1-CG2 4.33Å; V210-L372 HydrophobicContact CG2-CD2 4.3Å
211G98.8Very high97.6Very high0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-58.3-41.4179.700000112.4L207 F208 E214 A215L207-G211 PolarHBondContact O-N 2.99Å; F208-G211 PolarHBondContact O-N 3.14Å; G211-E214 PolarHBondContact O-N 3.41Å; G211-A215 WeakPolarHBondContact O-CB 3.32Å; G211-A215 PolarHBondContact O-N 3.35Å
212F98.9Very high97.9Very high8 Ų830.6 Ų30.64%0.03516%0.155CC..Hα-helixtrans-60.3-51.7174.1177.3-93.8000111L161 F208 V210 E214 A215 M216 V224 V274 F277 R278 L350L161-F212 HydrophobicContact CD1-CB 4.14Å; F208-F212 WeakPolarHBondContact O-CB 3.26Å; F208-F212 PolarHBondContact O-N 2.76Å; V210-F212 VanDerWaalsContact C-N 3.29Å; V210-F212 PolarHBondContact O-N 3.32Å; F212-E214 VanDerWaalsContact C-N 3.31Å; F212-E214 PolarHBondContact O-N 2.99Å; F212-A215 PolarHBondContact O-N 2.88Å; F212-M216 HydrophobicContact CD1-CG 4.22Å; F212-M216 HydrophobicContact CD2-CE 4.18Å; F212-M216 HydrophobicContact CD2-CG 4.38Å; F212-M216 HydrophobicContact CE1-CG 3.84Å; F212-M216 HydrophobicContact CE2-CE 3.99Å; F212-M216 HydrophobicContact CE2-CG 4.01Å; F212-M216 HydrophobicContact CE2-SD 4.02Å; F212-M216 HydrophobicContact CG-CG 4.47Å; F212-M216 HydrophobicContact CZ-CG 3.72Å; F212-M216 HydrophobicContact CZ-SD 4.06Å; F212-M216 VanDerWaalsContact O-CG 3.23Å; F212-M216 WeakPolarHBondContact O-CG 3.48Å; F212-M216 PolarHBondContact O-N 3.36Å; F212-V224 HydrophobicContact CD2-CG1 3.84Å; F212-V224 HydrophobicContact CD2-CG2 4.13Å; F212-V224 HydrophobicContact CE2-CG1 4.26Å; F212-V224 HydrophobicContact CE2-CG2 4.45Å; F212-V274 HydrophobicContact CE2-CG1 4.21Å; F212-V274 HydrophobicContact CE2-CG2 4.28Å; F212-V274 HydrophobicContact CZ-CG1 4.07Å; F212-F277 HydrophobicContact CB-CD1 4.2Å; F212-F277 HydrophobicContact CB-CE1 3.63Å; F212-F277 AromaticContact CD1-CD1 3.85Å; F212-F277 HydrophobicContact CD1-CD1 3.85Å; F212-F277 AromaticContact CD1-CE1 3.85Å; F212-F277 HydrophobicContact CD1-CE1 3.85Å; F212-F277 AromaticContact CD2-CD1 3.28Å; F212-F277 HydrophobicContact CD2-CD1 3.28Å; F212-F277 AromaticContact CD2-CE1 3.66Å; F212-F277 HydrophobicContact CD2-CE1 3.66Å; F212-F277 HydrophobicContact CD2-CG 4.23Å; F212-F277 HydrophobicContact CE1-CD1 4.02Å; F212-F277 HydrophobicContact CE1-CE1 4.44Å; F212-F277 HydrophobicContact CE2-CB 4.23Å; F212-F277 AromaticContact CE2-CD1 3.5Å; F212-F277 HydrophobicContact CE2-CD1 3.5Å; F212-F277 HydrophobicContact CE2-CE1 4.3Å; F212-F277 HydrophobicContact CE2-CG 4.26Å; F212-F277 AromaticContact CG-CD1 3.49Å; F212-F277 HydrophobicContact CG-CD1 3.49Å; F212-F277 VanDerWaalsContact CG-CD1 3.49Å; F212-F277 AromaticContact CG-CE1 3.41Å; F212-F277 HydrophobicContact CG-CE1 3.41Å; F212-F277 VanDerWaalsContact CG-CE1 3.41Å; F212-F277 AromaticContact CZ-CD1 3.87Å; F212-F277 HydrophobicContact CZ-CD1 3.87Å; F212-R278 HydrophobicContact CE1-CG 4.1Å; F212-R278 HydrophobicContact CZ-CG 3.77Å; F212-L350 HydrophobicContact CD1-CD1 4.06Å; F212-L350 HydrophobicContact CD1-CD2 3.79Å; F212-L350 HydrophobicContact CE1-CD1 3.94Å; F212-L350 HydrophobicContact CE1-CD2 4.44Å
213K98.8Very high98.1Very high57 Ų5728.8 Ų28.825%0.24815%0.147CC..Hα-helixtrans-61.1-38.1-179.2-78.1-173.7175.9-1760112.6N209 V210 K217 L350 L353 Y355N209-K213 PolarHBondContact O-N 3.49Å; V210-K213 PolarHBondContact O-N 3.4Å; V210-K213 VanDerWaalsContact O-N 3.13Å; K213-K217 WeakPolarHBondContact O-CG 3.47Å; K213-L350 WeakPolarHBondContact CE-O 3.36Å; K213-L350 HydrophobicContact CG-CD2 4.23Å; K213-L350 PolarHBondContact NZ-O 3.44Å; K213-L353 HydrophobicContact CD-CD2 4.08Å; K213-L353 PolarHBondContact NZ-O 2.85Å; K213-L353 VanDerWaalsContact NZ-O 3.09Å; K213-Y355 WeakPolarHBondContact CB-OH 3.45Å; K213-Y355 HydrophobicContact CD-CE1 3.72Å
214E98.8Very high98.3Very high11 Ų1128.8 Ų28.85%0.05115%0.147CC..Hα-helixtrans-74.2-43.4176.7-64.7-44.7121.200112.7V210 G211 F212 M216 K217 D218 Y355 I368V210-E214 PolarHBondContact O-N 2.87Å; G211-E214 PolarHBondContact O-N 3.41Å; F212-E214 VanDerWaalsContact C-N 3.31Å; F212-E214 PolarHBondContact O-N 2.99Å; E214-M216 PolarHBondContact O-N 2.96Å; E214-K217 VanDerWaalsContact CD-NZ 3.28Å; E214-K217 WeakPolarHBondContact O-CB 3.46Å; E214-K217 PolarHBondContact O-N 2.99Å; E214-K217 IonicContact OE1-NZ 2.69Å; E214-K217 PolarHBondContact OE1-NZ 3.44Å; E214-K217 IonicContact OE2-NZ 3.9Å; E214-K217 PolarHBondContact OE2-NZ 2.89Å; E214-K217 VanDerWaalsContact OE2-NZ 3.09Å; E214-D218 PolarHBondContact O-N 2.75Å; E214-Y355 HydrophobicContact CG-CE2 4.28Å; E214-Y355 WeakPolarHBondContact OE1-CE2 3.29Å; E214-Y355 PolarHBondContact OE1-OH 2.75Å; E214-I368 HydrophobicContact CB-CD1 3.51Å; E214-I368 HydrophobicContact CB-CG1 4.4Å; E214-I368 HydrophobicContact CG-CD1 3.92Å; E214-I368 HydrophobicContact CG-CG1 4.44Å; E214-I368 HydrophobicContact CG-CG2 3.97Å
215A98.6Very high98.4Very high0 Ų027.6 Ų27.60%014%0.143CC..Hα-helixtrans-59.8-36.8177.400000112A159 L161 Y192 G211 F212 K217 D218 S219 W221A159-A215 HydrophobicContact CB-CB 3.99Å; L161-A215 HydrophobicContact CD2-CB 4.05Å; Y192-A215 HydrophobicContact CD1-CB 4.37Å; Y192-A215 HydrophobicContact CD2-CB 3.94Å; Y192-A215 HydrophobicContact CE1-CB 4.11Å; Y192-A215 HydrophobicContact CE2-CB 3.62Å; Y192-A215 HydrophobicContact CG-CB 4.29Å; G211-A215 WeakPolarHBondContact O-CB 3.32Å; G211-A215 PolarHBondContact O-N 3.35Å; F212-A215 PolarHBondContact O-N 2.88Å; A215-K217 PolarHBondContact O-N 3.3Å; A215-D218 PolarHBondContact O-N 2.9Å; A215-S219 PolarHBondContact O-N 3.14Å; A215-W221 VanDerWaalsContact O-CD1 3.23Å; A215-W221 PolarHBondContact O-NE1 3.37Å; A215-W221 VanDerWaalsContact O-NE1 3.16Å
216M98.5Very high98.4Very high41 Ų4127.6 Ų27.620%0.20214%0.143CC..Hα-helixtrans-69.5-16.3176-65.6-5110300114F212 E214 W221 V224 V274F212-M216 HydrophobicContact CD1-CG 4.22Å; F212-M216 HydrophobicContact CD2-CE 4.18Å; F212-M216 HydrophobicContact CD2-CG 4.38Å; F212-M216 HydrophobicContact CE1-CG 3.84Å; F212-M216 HydrophobicContact CE2-CE 3.99Å; F212-M216 HydrophobicContact CE2-CG 4.01Å; F212-M216 HydrophobicContact CE2-SD 4.02Å; F212-M216 HydrophobicContact CG-CG 4.47Å; F212-M216 HydrophobicContact CZ-CG 3.72Å; F212-M216 HydrophobicContact CZ-SD 4.06Å; F212-M216 VanDerWaalsContact O-CG 3.23Å; F212-M216 WeakPolarHBondContact O-CG 3.48Å; F212-M216 PolarHBondContact O-N 3.36Å; E214-M216 PolarHBondContact O-N 2.96Å; M216-W221 HydrophobicContact CE-CB 3.92Å; M216-W221 HydrophobicContact CE-CG 4.18Å; M216-V224 HydrophobicContact CE-CG1 3.99Å; M216-V274 HydrophobicContact CE-CG2 3.84Å; M216-V274 HydrophobicContact SD-CB 4.42Å; M216-V274 HydrophobicContact SD-CG1 3.71Å; M216-V274 HydrophobicContact SD-CG2 3.75Å
217K98Very high98.5Very high141 Ų14127.6 Ų27.661%0.61314%0.143SC*.Hα-helixtrans-84.9-27.3171.9-64.6169.4-169.3171.10112K213 E214 A215K213-K217 WeakPolarHBondContact O-CG 3.47Å; E214-K217 VanDerWaalsContact CD-NZ 3.28Å; E214-K217 WeakPolarHBondContact O-CB 3.46Å; E214-K217 PolarHBondContact O-N 2.99Å; E214-K217 IonicContact OE1-NZ 2.69Å; E214-K217 PolarHBondContact OE1-NZ 3.44Å; E214-K217 IonicContact OE2-NZ 3.9Å; E214-K217 PolarHBondContact OE2-NZ 2.89Å; E214-K217 VanDerWaalsContact OE2-NZ 3.09Å; A215-K217 PolarHBondContact O-N 3.3Å
218D96.1Very high98.4Very high97 Ų9728.9 Ų28.952%0.51915%0.149SC..Hα-helixtrans-81.1-46.9-175.1-174.440.6000112Y192 E214 A215Y192-D218 HydrophobicContact CE1-CB 4.19Å; Y192-D218 WeakPolarHBondContact CE1-OD2 3.32Å; Y192-D218 PolarHBondContact OH-OD2 3.46Å; E214-D218 PolarHBondContact O-N 2.75Å; A215-D218 PolarHBondContact O-N 2.9Å
219S97Very high98.2Very high34 Ų3429.2 Ų29.224%0.23815%0.151CC..  trans-152.3167.6178.9-1710000113A215 W221A215-S219 PolarHBondContact O-N 3.14Å; S219-W221 VanDerWaalsContact O-CD1 3.27Å; S219-W221 PolarHBondContact O-N 3.39Å
220V97.6Very high98Very high119 Ų11929.9 Ų29.972%0.72116%0.155SC*.  trans-85.895.4172.6-175.60000108.6K157K157-V220 VanDerWaalsContact CD-O 3.27Å; K157-V220 WeakPolarHBondContact CD-O 3.39Å
221W98.6Very high97.9Very high9 Ų929.9 Ų29.93%0.03416%0.155CC..  trans-91.3148177.8-58.7106.2000111.8H146 K157 V158 A159 E188 A190 Y192 A215 M216 S219 V274H146-W221 AromaticContact CD2-CH2 3.78Å; K157-W221 HydrophobicContact CB-CE3 3.71Å; K157-W221 HydrophobicContact CB-CZ3 4.12Å; V158-W221 VanDerWaalsContact C-CE3 3.44Å; V158-W221 VanDerWaalsContact N-CE3 3.33Å; V158-W221 WeakPolarHBondContact O-CZ3 3.41Å; A159-W221 HydrophobicContact CB-CB 4.28Å; A159-W221 HydrophobicContact CB-CD2 3.73Å; A159-W221 HydrophobicContact CB-CE3 4.36Å; A159-W221 HydrophobicContact CB-CG 3.66Å; E188-W221 HydrophobicContact CG-CZ3 4.4Å; A190-W221 HydrophobicContact CB-CH2 3.52Å; A190-W221 HydrophobicContact CB-CZ2 3.55Å; Y192-W221 HydrophobicContact CE2-CZ2 4.24Å; Y192-W221 AromaticContact CZ-NE1 3.93Å; Y192-W221 VanDerWaalsContact OH-CZ2 3.25Å; Y192-W221 WeakPolarHBondContact OH-CZ2 3.25Å; Y192-W221 PolarHBondContact OH-NE1 2.89Å; A215-W221 VanDerWaalsContact O-CD1 3.23Å; A215-W221 PolarHBondContact O-NE1 3.37Å; A215-W221 VanDerWaalsContact O-NE1 3.16Å; M216-W221 HydrophobicContact CE-CB 3.92Å; M216-W221 HydrophobicContact CE-CG 4.18Å; S219-W221 VanDerWaalsContact O-CD1 3.27Å; S219-W221 PolarHBondContact O-N 3.39Å; W221-V274 HydrophobicContact CB-CG2 4.37Å; W221-V274 VanDerWaalsContact O-CG2 3.24Å; W221-V274 WeakPolarHBondContact O-CG2 3.42Å
222D98.6Very high97.8Very high62 Ų6229.9 Ų29.933%0.33216%0.155SC..SBendtrans-86.5-40.4177.3-62.5-46.7000111.1W156 K157 C242 V274W156-D222 WeakPolarHBondContact CA-OD2 3.47Å; W156-D222 HydrophobicContact CE3-CB 3.99Å; W156-D222 HydrophobicContact CZ3-CB 4.49Å; K157-D222 PolarHBondContact N-OD2 3.23Å; K157-D222 WeakPolarHBondContact O-CB 3.43Å; K157-D222 PolarHBondContact O-N 2.92Å; D222-C242 VanDerWaalsContact CB-SG 3.57Å; D222-V274 PolarHBondContact O-N 3.48Å
223C98.8Very high97.8Very high0 Ų029.6 Ų29.60%015%0.154CC..EExtended strand (participates in β ladder)trans-144165.4175.760.40000112.5K157 A159 C242 M245 L272K157-C223 PolarHBondContact O-N 3.04Å; A159-C223 PolarHBondContact N-O 3.2Å; A159-C223 VanDerWaalsContact N-O 3.1Å; C223-C242 HydrophobicContact CB-CB 3.55Å; C223-C242 WeakPolarHBondContact CB-SG 3.49Å; C223-C242 PolarHBondContact N-SG 2.96Å; C223-C242 VanDerWaalsContact N-SG 3.37Å; C223-C242 WeakPolarHBondContact SG-CA 3.25Å; C223-C242 WeakPolarHBondContact SG-CB 3.43Å; C223-C242 CovalentContact SG-SG 2.03Å; C223-C242 PolarHBondContact SG-SG 3.18Å; C223-M245 HydrophobicContact CB-CE 4.36Å; C223-L272 WeakPolarHBondContact CA-O 3.36Å; C223-L272 VanDerWaalsContact CB-O 3.23Å; C223-L272 WeakPolarHBondContact CB-O 3.26Å
224V98.9Very high97.7Very high0 Ų027.7 Ų27.70%015%0.146CC..EExtended strand (participates in β ladder)trans-118.5138.9174.8-72.40000109.7A159 L161 F212 M216 F226 G271 L272 F277A159-V224 HydrophobicContact CB-CG1 4.1Å; A159-V224 WeakPolarHBondContact O-CA 3.5Å; L161-V224 HydrophobicContact CD1-CB 4.32Å; L161-V224 HydrophobicContact CD1-CG1 4.3Å; F212-V224 HydrophobicContact CD2-CG1 3.84Å; F212-V224 HydrophobicContact CD2-CG2 4.13Å; F212-V224 HydrophobicContact CE2-CG1 4.26Å; F212-V224 HydrophobicContact CE2-CG2 4.45Å; M216-V224 HydrophobicContact CE-CG1 3.99Å; V224-F226 HydrophobicContact CB-CE1 4.35Å; V224-F226 HydrophobicContact CB-CZ 4.16Å; V224-F226 HydrophobicContact CG2-CE1 3.94Å; V224-F226 HydrophobicContact CG2-CE2 3.82Å; V224-F226 HydrophobicContact CG2-CZ 3.31Å; V224-G271 WeakPolarHBondContact O-CA 3.34Å; V224-L272 PolarHBondContact N-O 3.33Å; V224-L272 PolarHBondContact O-N 3.09Å; V224-L272 VanDerWaalsContact O-N 3.11Å; V224-F277 HydrophobicContact CG2-CB 4.47Å; V224-F277 HydrophobicContact CG2-CG 4.49Å
225I98.9Very high97.5Very high0 Ų028.1 Ų28.10%015%0.148CC..EExtended strand (participates in β ladder)trans-111.2121.4171.6-63.2-175.7000108.1V158 A159 L161 H227 Y240 F249 V269 S270V158-I225 HydrophobicContact CG1-CB 4.47Å; V158-I225 HydrophobicContact CG1-CD1 3.61Å; V158-I225 HydrophobicContact CG1-CG1 3.71Å; A159-I225 PolarHBondContact O-N 2.67Å; L161-I225 PolarHBondContact N-O 2.8Å; I225-H227 HydrophobicContact CG2-CB 4.33Å; I225-Y240 VanDerWaalsContact CD1-CB 3.49Å; I225-Y240 HydrophobicContact CD1-CD2 3.3Å; I225-Y240 HydrophobicContact CD1-CE2 4.18Å; I225-Y240 HydrophobicContact CD1-CG 3.53Å; I225-Y240 WeakPolarHBondContact CD1-O 3.42Å; I225-Y240 HydrophobicContact CG2-CD2 4.3Å; I225-Y240 HydrophobicContact CG2-CE2 4.2Å; I225-F249 HydrophobicContact CD1-CE2 4.08Å; I225-F249 HydrophobicContact CD1-CZ 4.07Å; I225-F249 HydrophobicContact CG1-CE2 4.14Å; I225-F249 HydrophobicContact CG1-CZ 4.5Å; I225-F249 HydrophobicContact CG2-CE2 4.48Å; I225-V269 HydrophobicContact CG2-CG1 3.8Å; I225-S270 CarbonylContact C-O 3.24Å; I225-S270 WeakPolarHBondContact CA-O 3.38Å
226F98.8Very high97.3Very high0 Ų028.1 Ų28.10%015%0.148CC..EExtended strand (participates in β ladder)trans-91.4110.7176.2-53.1-67.1000107.9L161 F208 V224 V269 S270 L272 F277 F283L161-F226 HydrophobicContact CD1-CD1 4.08Å; L161-F226 HydrophobicContact CD1-CE1 3.83Å; F208-F226 HydrophobicContact CB-CD1 3.82Å; F208-F226 HydrophobicContact CB-CE1 4.04Å; F208-F226 HydrophobicContact CD1-CB 4.03Å; F208-F226 AromaticContact CD1-CD1 3.47Å; F208-F226 HydrophobicContact CD1-CD1 3.47Å; F208-F226 VanDerWaalsContact CD1-CD1 3.47Å; F208-F226 HydrophobicContact CD1-CE1 4.41Å; F208-F226 HydrophobicContact CD1-CG 4.21Å; F208-F226 HydrophobicContact CD2-CB 4.33Å; F208-F226 HydrophobicContact CD2-CD1 4.21Å; F208-F226 HydrophobicContact CE1-CB 3.6Å; F208-F226 AromaticContact CE1-CD1 3.95Å; F208-F226 HydrophobicContact CE1-CD1 3.95Å; F208-F226 HydrophobicContact CE1-CG 4.27Å; F208-F226 HydrophobicContact CE2-CB 3.96Å; F208-F226 HydrophobicContact CG-CB 4.36Å; F208-F226 AromaticContact CG-CD1 3.6Å; F208-F226 HydrophobicContact CG-CD1 3.6Å; F208-F226 HydrophobicContact CG-CE1 4.33Å; F208-F226 HydrophobicContact CG-CG 4.32Å; F208-F226 HydrophobicContact CZ-CB 3.59Å; V224-F226 HydrophobicContact CB-CE1 4.35Å; V224-F226 HydrophobicContact CB-CZ 4.16Å; V224-F226 HydrophobicContact CG2-CE1 3.94Å; V224-F226 HydrophobicContact CG2-CE2 3.82Å; V224-F226 HydrophobicContact CG2-CZ 3.31Å; F226-V269 WeakPolarHBondContact O-CA 3.48Å; F226-S270 PolarHBondContact N-O 3.24Å; F226-S270 PolarHBondContact O-N 3.17Å; F226-S270 VanDerWaalsContact O-N 3.08Å; F226-L272 HydrophobicContact CD2-CD1 4.12Å; F226-L272 HydrophobicContact CE2-CB 4.31Å; F226-L272 HydrophobicContact CE2-CD1 3.59Å; F226-F277 HydrophobicContact CE1-CD2 4.37Å; F226-F277 HydrophobicContact CE1-CE1 4.5Å; F226-F277 AromaticContact CE1-CE2 3.86Å; F226-F277 HydrophobicContact CE1-CE2 3.86Å; F226-F277 AromaticContact CE1-CZ 3.91Å; F226-F277 HydrophobicContact CE1-CZ 3.91Å; F226-F277 AromaticContact CE2-CD2 3.9Å; F226-F277 HydrophobicContact CE2-CD2 3.9Å; F226-F277 AromaticContact CE2-CE2 3.94Å; F226-F277 HydrophobicContact CE2-CE2 3.94Å; F226-F277 HydrophobicContact CZ-CD1 4.38Å; F226-F277 AromaticContact CZ-CD2 3.37Å; F226-F277 HydrophobicContact CZ-CD2 3.37Å; F226-F277 HydrophobicContact CZ-CE1 4.25Å; F226-F277 AromaticContact CZ-CE2 3.22Å; F226-F277 HydrophobicContact CZ-CE2 3.22Å; F226-F277 AromaticContact CZ-CG 3.95Å; F226-F277 HydrophobicContact CZ-CG 3.95Å; F226-F277 AromaticContact CZ-CZ 3.7Å; F226-F277 HydrophobicContact CZ-CZ 3.7Å; F226-F283 HydrophobicContact CB-CE2 4.41Å; F226-F283 HydrophobicContact CB-CZ 4.39Å; F226-F283 AromaticContact CD1-CE2 3.63Å; F226-F283 HydrophobicContact CD1-CE2 3.63Å; F226-F283 HydrophobicContact CD1-CZ 4.41Å; F226-F283 AromaticContact CD2-CE2 3.84Å; F226-F283 HydrophobicContact CD2-CE2 3.84Å; F226-F283 HydrophobicContact CD2-CZ 4.19Å; F226-F283 HydrophobicContact CE1-CD2 4.29Å; F226-F283 AromaticContact CE1-CE2 3.71Å; F226-F283 HydrophobicContact CE1-CE2 3.71Å; F226-F283 AromaticContact CE2-CE2 3.96Å; F226-F283 HydrophobicContact CE2-CE2 3.96Å; F226-F283 AromaticContact CG-CE2 3.67Å; F226-F283 HydrophobicContact CG-CE2 3.67Å; F226-F283 HydrophobicContact CG-CZ 4.06Å; F226-F283 AromaticContact CZ-CE2 3.88Å; F226-F283 HydrophobicContact CZ-CE2 3.88Å
227H98.7Very high97.2Very high0 Ų030.3 Ų30.30%015%0.154CC..EExtended strand (participates in β ladder)trans-129119.9-165.5-155.7-60.6000112V160 L161 P163 F174 I225 H231 Y240 V269V160-H227 HydrophobicContact CG1-CB 4.12Å; L161-H227 PolarHBondContact O-N 3.46Å; P163-H227 VanDerWaalsContact CD-O 3.23Å; P163-H227 WeakPolarHBondContact CD-O 3.47Å; F174-H227 AromaticContact CE2-CE1 3.48Å; F174-H227 VanDerWaalsContact CE2-CE1 3.48Å; F174-H227 WeakPolarHBondContact CE2-CE1 3.41Å; F174-H227 AromaticContact CE2-CG 3.97Å; F174-H227 AromaticContact CE2-ND1 3.46Å; F174-H227 WeakPolarHBondContact CE2-ND1 3.37Å; I225-H227 HydrophobicContact CG2-CB 4.33Å; H227-H231 PolarHBondContact CE1-O 3.02Å; H227-Y240 AromaticContact CD2-CE2 3.67Å; H227-Y240 AromaticContact NE2-CE2 3.81Å; H227-Y240 AromaticContact NE2-CZ 3.85Å; H227-Y240 PolarHBondContact NE2-OH 2.82Å; H227-V269 HydrophobicContact CB-CG1 4.41Å; H227-V269 WeakPolarHBondContact CD2-CG1 3.33Å
228D96.9Very high97.1Very high27 Ų2723.6 Ų23.614%0.14413%0.125CC..  trans-68.5133.1168.9-66.5-7.9000109.5R204 D230 H231 G268R204-D228 IonicContact CZ-OD1 3.64Å; R204-D228 IonicContact NE-OD1 2.76Å; R204-D228 PolarHBondContact NE-OD1 3.19Å; R204-D228 IonicContact NE-OD2 3.51Å; R204-D228 IonicContact NH2-OD1 2.81Å; R204-D228 PolarHBondContact NH2-OD1 3.19Å; R204-D228 IonicContact NH2-OD2 2.99Å; D228-D230 PolarHBondContact O-N 2.89Å; D228-H231 PolarHBondContact O-N 2.86Å; D228-H231 IonicContact OD2-CD2 3.2Å; D228-G268 VanDerWaalsContact CG-O 3.25Å; D228-G268 PolarHBondContact N-O 3.44Å; D228-G268 VanDerWaalsContact OD2-CA 3.32Å; D228-G268 WeakPolarHBondContact OD2-CA 3.42Å
229V96Very high97Very high7 Ų719.8 Ų19.84%0.04210%0.104CC..THydrogen-bonded Turntrans-61.3-17.9-174.170.70000113.4I162 R167 H170 L171 F174I162-V229 HydrophobicContact CG2-CB 3.75Å; I162-V229 HydrophobicContact CG2-CG2 4.03Å; R167-V229 HydrophobicContact CB-CG1 4.22Å; R167-V229 HydrophobicContact CG-CG1 4.47Å; H170-V229 HydrophobicContact CB-CG1 4.1Å; H170-V229 HydrophobicContact CB-CG2 3.99Å; L171-V229 HydrophobicContact CD2-CG2 3.63Å; L171-V229 HydrophobicContact CG-CG2 4.06Å; F174-V229 HydrophobicContact CB-CG2 4.25Å; F174-V229 HydrophobicContact CD2-CG2 4.42Å; F174-V229 HydrophobicContact CG-CG2 4.43Å
230D94.2Very high97.1Very high14 Ų1418.2 Ų18.28%0.0759%0.093CC..THydrogen-bonded Turntrans-1078.1-17252.130.5000114.5D228 S320 I321 H323D228-D230 PolarHBondContact O-N 2.89Å; D230-S320 CarbonylContact O-C 3.57Å; D230-S320 VanDerWaalsContact O-CA 3.24Å; D230-S320 WeakPolarHBondContact O-CA 3.48Å; D230-I321 HydrophobicContact CB-CB 4.09Å; D230-I321 HydrophobicContact CB-CG1 4.43Å; D230-I321 PolarHBondContact O-N 3.09Å; D230-H323 IonicContact OD2-CE1 3.77Å; D230-H323 PolarHBondContact OD2-CE1 2.88Å; D230-H323 IonicContact OD2-ND1 2.68Å; D230-H323 IonicContact OD2-NE2 3.87Å; D230-H323 PolarHBondContact OD2-NE2 3.09Å
231H96.5Very high97Very high1 Ų112.5 Ų12.51%0.0056%0.058CC..EExtended strand (participates in β ladder)trans-112.1102.2179.8-72.9-29.2000111.6H227 D228 L253 K255 V269 Y318 S320H227-H231 PolarHBondContact CE1-O 3.02Å; D228-H231 PolarHBondContact O-N 2.86Å; D228-H231 IonicContact OD2-CD2 3.2Å; H231-L253 HydrophobicContact CB-CD2 4.24Å; H231-L253 WeakPolarHBondContact ND1-CD2 3.04Å; H231-K255 PolarHBondContact CE1-NZ 2.83Å; H231-K255 VanDerWaalsContact CE1-NZ 3.32Å; H231-K255 PolarHBondContact NE2-NZ 3.36Å; H231-V269 HydrophobicContact CB-CG2 4.03Å; H231-Y318 HydrophobicContact CB-CD1 4.08Å; H231-Y318 WeakPolarHBondContact O-CD1 3.09Å; H231-S320 PolarHBondContact CE1-OG 2.51Å; H231-S320 PolarHBondContact ND1-OG 2.78Å
232L97.6Very high96.9Very high0 Ų012.4 Ų12.40%06%0.059CC..EExtended strand (participates in β ladder)trans-99129.5-174.7-54.6174.5000110.8V121 V123 I173 H177 L178 Y318 K319 I321V121-L232 HydrophobicContact CG1-CB 3.75Å; V121-L232 HydrophobicContact CG1-CD1 3.47Å; V121-L232 VanDerWaalsContact CG1-CD1 3.47Å; V121-L232 HydrophobicContact CG1-CG 4.26Å; V123-L232 HydrophobicContact CG1-CD1 4.2Å; I173-L232 HydrophobicContact CG2-CD1 3.66Å; H177-L232 HydrophobicContact CB-CD2 4.34Å; L178-L232 HydrophobicContact CD2-CD2 4Å; L232-Y318 VanDerWaalsContact C-CD1 3.43Å; L232-Y318 CarbonylContact O-C 3.59Å; L232-Y318 VanDerWaalsContact O-CA 3.25Å; L232-Y318 WeakPolarHBondContact O-CA 3.4Å; L232-K319 PolarHBondContact N-O 3.05Å; L232-K319 PolarHBondContact O-N 2.88Å; L232-I321 HydrophobicContact CD1-CD1 4.04Å; L232-I321 HydrophobicContact CD1-CG1 3.84Å; L232-I321 HydrophobicContact CD2-CD1 4.46Å; L232-I321 HydrophobicContact CG-CD1 4.33Å; L232-I321 HydrophobicContact CG-CG1 4.17Å
233P97.3Very high96.6Very high1 Ų110.3 Ų10.31%0.0065%0.052CC..EExtended strand (participates in β ladder)trans-66.5136.217825.5-31.6000111.3V121 L178 M181 N235 Y318V121-P233 WeakPolarHBondContact CG2-O 3.43Å; L178-P233 HydrophobicContact CD1-CG 4.19Å; L178-P233 HydrophobicContact CD2-CG 4.46Å; M181-P233 HydrophobicContact CE-CG 4.09Å; M181-P233 HydrophobicContact SD-CB 3.93Å; M181-P233 HydrophobicContact SD-CG 3.35Å; M181-P233 WeakPolarHBondContact SD-CG 3.36Å; P233-N235 VanDerWaalsContact C-N 3.34Å; P233-Y318 HydrophobicContact CB-CD1 4.36Å; P233-Y318 HydrophobicContact CB-CE1 3.81Å; P233-Y318 HydrophobicContact CB-CE2 4.33Å; P233-Y318 HydrophobicContact CG-CE1 4.34Å
234E97.1Very high96.3Very high18 Ų1816.5 Ų16.58%0.0848%0.081CC..SBendtrans-92.85175.1-62.9-173.8150.400112.3F118 L119 V121 Y258 K317 K319F118-E234 WeakPolarHBondContact CA-O 3.45Å; L119-E234 PolarHBondContact N-O 3.29Å; V121-E234 HydrophobicContact CG2-CB 4.44Å; V121-E234 HydrophobicContact CG2-CG 3.88Å; E234-Y258 PolarHBondContact OE1-OH 2.98Å; E234-Y258 VanDerWaalsContact OE2-CE1 3.24Å; E234-Y258 WeakPolarHBondContact OE2-CE1 3.23Å; E234-Y258 PolarHBondContact OE2-OH 3.43Å; E234-K317 HydrophobicContact CB-CB 4.19Å; E234-K317 WeakPolarHBondContact CB-O 3.39Å; E234-K317 PolarHBondContact N-O 3.48Å; E234-K317 WeakPolarHBondContact OE2-CB 3.28Å; E234-K319 HydrophobicContact CG-CB 4.11Å; E234-K319 WeakPolarHBondContact OE1-CD 3.36Å
235N95.8Very high96.3Very high19 Ų1917.4 Ų17.410%0.1029%0.085CC..BIsolated β-bridgetrans-147.1118.1-177-159.9-53.3000113.1G117 P233 R237 N238G117-N235 WeakPolarHBondContact CA-OD1 3.31Å; G117-N235 CarbonylContact O-C 3.58Å; G117-N235 WeakPolarHBondContact O-CA 3.47Å; G117-N235 PolarHBondContact O-OD1 2.82Å; P233-N235 VanDerWaalsContact C-N 3.34Å; N235-R237 PolarHBondContact O-N 3.44Å; N235-R237 VanDerWaalsContact OD1-CB 3.24Å; N235-R237 WeakPolarHBondContact OD1-CB 3.44Å; N235-R237 PolarHBondContact OD1-N 2.81Å; N235-N238 WeakPolarHBondContact O-CB 3.37Å; N235-N238 PolarHBondContact O-N 2.76Å; N235-N238 VanDerWaalsContact O-N 3.13Å
236D94.3Very high96.2Very high0 Ų017.5 Ų17.50%09%0.086CC..THydrogen-bonded Turntrans-72.1-8.1-179.566.19.9000114.4M115 R116 G117 L119 M181 K184 Q185M115-D236 VanDerWaalsContact C-OD1 3.26Å; M115-D236 WeakPolarHBondContact CA-OD1 3.36Å; R116-D236 PolarHBondContact N-OD1 3.01Å; R116-D236 VanDerWaalsContact N-OD1 3.09Å; R116-D236 PolarHBondContact N-OD2 2.78Å; R116-D236 VanDerWaalsContact N-OD2 3.15Å; G117-D236 WeakPolarHBondContact CA-OD1 3.49Å; G117-D236 PolarHBondContact N-OD1 2.76Å; G117-D236 PolarHBondContact O-N 2.98Å; L119-D236 HydrophobicContact CD1-CB 3.97Å; L119-D236 HydrophobicContact CD2-CB 3.98Å; L119-D236 HydrophobicContact CG-CB 4.05Å; M181-D236 HydrophobicContact CG-CB 4.04Å; K184-D236 IonicContact NZ-OD2 3.24Å; Q185-D236 PolarHBondContact NE2-O 3.45Å
237R94.8Very high96.2Very high87 Ų8718.4 Ų18.433%0.3289%0.089SC..THydrogen-bonded Turntrans-87.5-4.5172.6-59.8166170.4-169.61.2112.7Y95 M115 N235 Y239 L315Y95-R237 HydrophobicContact CE1-CG 4.27Å; Y95-R237 WeakPolarHBondContact OH-CD 3.29Å; Y95-R237 VanDerWaalsContact OH-CG 3.3Å; Y95-R237 WeakPolarHBondContact OH-CG 3.34Å; Y95-R237 PolarHBondContact OH-NE 3.16Å; M115-R237 HydrophobicContact CB-CG 3.79Å; M115-R237 PolarHBondContact O-NE 2.79Å; M115-R237 PolarHBondContact O-NH2 2.83Å; N235-R237 PolarHBondContact O-N 3.44Å; N235-R237 VanDerWaalsContact OD1-CB 3.24Å; N235-R237 WeakPolarHBondContact OD1-CB 3.44Å; N235-R237 PolarHBondContact OD1-N 2.81Å; R237-Y239 VanDerWaalsContact C-N 3.26Å; R237-Y239 PolarHBondContact O-N 3.34Å; R237-L315 HydrophobicContact CB-CD2 3.71Å
238N95.9Very high96.2Very high0 Ų018.4 Ų18.40%09%0.089CC..SBendtrans-73.786.5165.7-164.712.5000108.9Q185 N235 Y240 F249 L315 Y318Q185-N238 PolarHBondContact NE2-O 3.22Å; N235-N238 WeakPolarHBondContact O-CB 3.37Å; N235-N238 PolarHBondContact O-N 2.76Å; N235-N238 VanDerWaalsContact O-N 3.13Å; N238-Y240 VanDerWaalsContact O-CD1 3.29Å; N238-Y240 WeakPolarHBondContact O-CD1 3.45Å; N238-Y240 PolarHBondContact O-N 3.47Å; N238-F249 PolarHBondContact ND2-O 3.21Å; N238-L315 VanDerWaalsContact CB-O 3.31Å; N238-L315 WeakPolarHBondContact CB-O 3.31Å; N238-L315 PolarHBondContact ND2-O 2.83Å; N238-Y318 WeakPolarHBondContact ND2-CE2 3.1Å; N238-Y318 PolarHBondContact ND2-OH 2.98Å; N238-Y318 VanDerWaalsContact ND2-OH 3.1Å
239Y95.8Very high96.3Very high18 Ų1817.1 Ų17.17%0.0718%0.082CC..  trans-71119.4-168.2-174-116.6000112.6E110 M115 W156 Q185 L187 R237 G241 F249E110-Y239 HydrophobicContact CB-CD1 4.43Å; E110-Y239 HydrophobicContact CB-CE1 4.02Å; E110-Y239 HydrophobicContact CG-CE1 3.81Å; M115-Y239 HydrophobicContact CE-CD2 4.39Å; W156-Y239 AromaticContact CD1-CE1 3.78Å; Q185-Y239 HydrophobicContact CB-CD2 3.9Å; Q185-Y239 HydrophobicContact CB-CE2 3.81Å; Q185-Y239 HydrophobicContact CG-CD2 3.89Å; Q185-Y239 HydrophobicContact CG-CE2 4.32Å; Q185-Y239 WeakPolarHBondContact O-CE2 3.11Å; L187-Y239 HydrophobicContact CD2-CE1 4.45Å; L187-Y239 HydrophobicContact CD2-CE2 4.01Å; L187-Y239 WeakPolarHBondContact CD2-OH 3.38Å; L187-Y239 HydrophobicContact CG-CE2 4.39Å; R237-Y239 VanDerWaalsContact C-N 3.26Å; R237-Y239 PolarHBondContact O-N 3.34Å; Y239-G241 VanDerWaalsContact CE1-CA 3.49Å; Y239-G241 PolarHBondContact O-N 2.87Å; Y239-F249 WeakPolarHBondContact O-CE1 3.5Å
240Y97.3Very high96.3Very high0 Ų016.8 Ų16.80%08%0.08CC..  trans-83.318.6-178.8-85.236.1000113.4V158 L178 M181 L182 I225 H227 N238 F249 Y318V158-Y240 WeakPolarHBondContact CG2-O 3.41Å; L178-Y240 HydrophobicContact CD1-CE2 3.85Å; M181-Y240 HydrophobicContact CE-CD1 3.73Å; M181-Y240 HydrophobicContact CE-CD2 4.02Å; M181-Y240 HydrophobicContact CE-CE1 3.72Å; M181-Y240 HydrophobicContact CE-CE2 4.02Å; M181-Y240 HydrophobicContact CE-CG 3.87Å; L182-Y240 HydrophobicContact CD2-CD2 3.6Å; L182-Y240 HydrophobicContact CD2-CE2 4.48Å; L182-Y240 HydrophobicContact CD2-CG 3.79Å; I225-Y240 VanDerWaalsContact CD1-CB 3.49Å; I225-Y240 HydrophobicContact CD1-CD2 3.3Å; I225-Y240 HydrophobicContact CD1-CE2 4.18Å; I225-Y240 HydrophobicContact CD1-CG 3.53Å; I225-Y240 WeakPolarHBondContact CD1-O 3.42Å; I225-Y240 HydrophobicContact CG2-CD2 4.3Å; I225-Y240 HydrophobicContact CG2-CE2 4.2Å; H227-Y240 AromaticContact CD2-CE2 3.67Å; H227-Y240 AromaticContact NE2-CE2 3.81Å; H227-Y240 AromaticContact NE2-CZ 3.85Å; H227-Y240 PolarHBondContact NE2-OH 2.82Å; N238-Y240 VanDerWaalsContact O-CD1 3.29Å; N238-Y240 WeakPolarHBondContact O-CD1 3.45Å; N238-Y240 PolarHBondContact O-N 3.47Å; Y240-F249 AromaticContact CD1-CD1 3.94Å; Y240-F249 HydrophobicContact CD1-CD1 3.94Å; Y240-F249 HydrophobicContact CD1-CE1 4.04Å; Y240-F249 HydrophobicContact CE1-CB 4.43Å; Y240-F249 HydrophobicContact CE1-CD1 4.03Å; Y240-F249 HydrophobicContact CE1-CG 4.28Å; Y240-Y318 WeakPolarHBondContact CE1-OH 3.26Å; Y240-Y318 VanDerWaalsContact CZ-OH 3.31Å; Y240-Y318 WeakPolarHBondContact OH-CE1 3.29Å; Y240-Y318 PolarHBondContact OH-OH 2.8Å
241G95.7Very high96.4Very high0 Ų016.6 Ų16.60%08%0.08CC..SBendtrans-74.8174.2171.600000112.9Y239 G243 M245Y239-G241 VanDerWaalsContact CE1-CA 3.49Å; Y239-G241 PolarHBondContact O-N 2.87Å; G241-G243 PolarHBondContact O-N 3.22Å; G241-M245 WeakPolarHBondContact O-CE 3.48Å
242C96.3Very high96.3Very high7 Ų719.5 Ų19.55%0.0479%0.093CC..SBendtrans-85.311.9-172.6-46.50000114.6W156 D222 C223 M245W156-C242 HydrophobicContact CD2-CB 3.64Å; W156-C242 HydrophobicContact CE3-CB 3.52Å; W156-C242 HydrophobicContact CG-CB 4.14Å; W156-C242 HydrophobicContact CH2-CB 4.34Å; W156-C242 HydrophobicContact CZ2-CB 4.46Å; W156-C242 HydrophobicContact CZ3-CB 3.89Å; D222-C242 VanDerWaalsContact CB-SG 3.57Å; C223-C242 HydrophobicContact CB-CB 3.55Å; C223-C242 WeakPolarHBondContact CB-SG 3.49Å; C223-C242 PolarHBondContact N-SG 2.96Å; C223-C242 VanDerWaalsContact N-SG 3.37Å; C223-C242 WeakPolarHBondContact SG-CA 3.25Å; C223-C242 WeakPolarHBondContact SG-CB 3.43Å; C223-C242 CovalentContact SG-SG 2.03Å; C223-C242 PolarHBondContact SG-SG 3.18Å; C242-M245 VanDerWaalsContact O-CG 3.24Å; C242-M245 WeakPolarHBondContact O-CG 3.5Å
243G92.6Very high96.1Very high18 Ų1819.6 Ų19.619%0.1869%0.094CC..THydrogen-bonded Turntrans-72.7147.1175.400000112.1G241 M245G241-G243 PolarHBondContact O-N 3.22Å; G243-M245 PolarHBondContact O-N 3.41Å
244E93.9Very high95.8Very high130 Ų13021.2 Ų21.261%0.60710%0.102SC*.THydrogen-bonded Turntrans62.124.1175.3-52.5-179.5119.400114.3R247 T309E244-R247 IonicContact OE2-CZ 3.11Å; E244-R247 IonicContact OE2-NH1 3.75Å; E244-R247 PolarHBondContact OE2-NH1 3.46Å; E244-R247 IonicContact OE2-NH2 3.4Å; E244-T309 HydrophobicContact CB-CG2 4.01Å; E244-T309 WeakPolarHBondContact O-CB 3.45Å; E244-T309 WeakPolarHBondContact O-CG2 3.41Å; E244-T309 PolarHBondContact O-OG1 3.31Å
245M97.3Very high95.3Very high19 Ų1923.8 Ų23.89%0.09411%0.113CC..SBendtrans-76.4147.5178.2-65.9-68.8-173.500112C223 G241 C242 G243 R247 F249 T273 Q276C223-M245 HydrophobicContact CB-CE 4.36Å; G241-M245 WeakPolarHBondContact O-CE 3.48Å; C242-M245 VanDerWaalsContact O-CG 3.24Å; C242-M245 WeakPolarHBondContact O-CG 3.5Å; G243-M245 PolarHBondContact O-N 3.41Å; M245-R247 HydrophobicContact CE-CB 4.47Å; M245-R247 HydrophobicContact SD-CB 3.57Å; M245-R247 VanDerWaalsContact SD-CB 3.57Å; M245-F249 HydrophobicContact CE-CE2 3.96Å; M245-F249 HydrophobicContact CE-CZ 3.61Å; M245-T273 HydrophobicContact CB-CG2 3.9Å; M245-T273 HydrophobicContact CG-CG2 4.21Å; M245-Q276 VanDerWaalsContact CB-OE1 3.24Å; M245-Q276 PolarHBondContact O-NE2 3.39Å
246P98.4Very high94.9Very high1 Ų123.3 Ų23.31%0.00611%0.11CC..SBendcis-67.5135.9-2.5-2641.1000112.8F266 G271 L272 V301 Y306 V308 T309P246-F266 HydrophobicContact CB-CZ 4.18Å; P246-G271 WeakPolarHBondContact CA-O 3.44Å; P246-L272 HydrophobicContact CB-CD2 4.36Å; P246-L272 HydrophobicContact CB-CG 3.94Å; P246-L272 HydrophobicContact CG-CD2 4.13Å; P246-L272 HydrophobicContact CG-CG 4.12Å; P246-V301 HydrophobicContact CB-CG1 4.04Å; P246-V301 HydrophobicContact CB-CG2 4.38Å; P246-V301 HydrophobicContact CG-CG1 3.79Å; P246-V301 HydrophobicContact CG-CG2 4.28Å; P246-Y306 HydrophobicContact CG-CD2 4.47Å; P246-Y306 HydrophobicContact CG-CG 4.32Å; P246-V308 HydrophobicContact CB-CG2 4.42Å; P246-V308 WeakPolarHBondContact O-CA 3.36Å; P246-T309 PolarHBondContact O-N 3.19Å
247R98.4Very high94.7Very high20 Ų2028.9 Ų28.98%0.07514%0.137CC..EExtended strand (participates in β ladder)trans-126.5133.4-170.6-174.6168.6177.7137.48111.5E244 M245 F249 S270 G271E244-R247 IonicContact OE2-CZ 3.11Å; E244-R247 IonicContact OE2-NH1 3.75Å; E244-R247 PolarHBondContact OE2-NH1 3.46Å; E244-R247 IonicContact OE2-NH2 3.4Å; M245-R247 HydrophobicContact CE-CB 4.47Å; M245-R247 HydrophobicContact SD-CB 3.57Å; M245-R247 VanDerWaalsContact SD-CB 3.57Å; R247-F249 HydrophobicContact CB-CE2 4.23Å; R247-F249 HydrophobicContact CB-CZ 4.19Å; R247-F249 VanDerWaalsContact CD-CE1 3.42Å; R247-F249 HydrophobicContact CG-CD1 4.2Å; R247-F249 HydrophobicContact CG-CD2 4.48Å; R247-F249 HydrophobicContact CG-CE1 3.96Å; R247-F249 HydrophobicContact CG-CE2 4.28Å; R247-F249 HydrophobicContact CG-CG 4.45Å; R247-F249 HydrophobicContact CG-CZ 4.02Å; R247-S270 CarbonylContact O-C 3.54Å; R247-S270 VanDerWaalsContact O-CA 3.24Å; R247-S270 WeakPolarHBondContact O-CA 3.41Å; R247-G271 PolarHBondContact N-O 3.11Å; R247-G271 PolarHBondContact O-N 2.87Å
248H98.4Very high94.6Very high0 Ų028.1 Ų28.10%014%0.135CC..EExtended strand (participates in β ladder)trans-100.5102.2172.4-178.8-130.3000109.3A250 A251 F265 F266 G267 V308 T309 R310 P311H248-A250 PolarHBondContact CE1-O 2.99Å; H248-A250 VanDerWaalsContact CE1-O 3.22Å; H248-A250 PolarHBondContact NE2-O 3.4Å; H248-A251 VanDerWaalsContact CE1-CA 3.46Å; H248-A251 WeakPolarHBondContact CE1-CA 3.28Å; H248-F265 AromaticContact CE1-CD1 3.67Å; H248-F265 AromaticContact CE1-CE1 3.97Å; H248-F265 AromaticContact NE2-CD1 3.89Å; H248-F265 AromaticContact NE2-CE1 3.86Å; H248-F266 HydrophobicContact CB-CD2 3.62Å; H248-F266 HydrophobicContact CB-CE2 3.69Å; H248-F266 AromaticContact CD2-CD2 3.85Å; H248-F266 AromaticContact CG-CD2 3.93Å; H248-G267 PolarHBondContact NE2-O 2.82Å; H248-V308 HydrophobicContact CB-CG1 3.85Å; H248-T309 PolarHBondContact N-O 3.24Å; H248-R310 HydrophobicContact CB-CG 3.77Å; H248-R310 PolarHBondContact ND1-NE 3.07Å; H248-R310 VanDerWaalsContact ND1-NE 3.19Å; H248-P311 WeakPolarHBondContact O-CD 3.42Å
249F98.2Very high94.3Very high0 Ų032.5 Ų32.50%016%0.158CC..SBendtrans-75.8-44.2-176.3-62.9-83.7000111.8I225 N238 Y239 Y240 M245 R247 A251 V269 Y318I225-F249 HydrophobicContact CD1-CE2 4.08Å; I225-F249 HydrophobicContact CD1-CZ 4.07Å; I225-F249 HydrophobicContact CG1-CE2 4.14Å; I225-F249 HydrophobicContact CG1-CZ 4.5Å; I225-F249 HydrophobicContact CG2-CE2 4.48Å; N238-F249 PolarHBondContact ND2-O 3.21Å; Y239-F249 WeakPolarHBondContact O-CE1 3.5Å; Y240-F249 AromaticContact CD1-CD1 3.94Å; Y240-F249 HydrophobicContact CD1-CD1 3.94Å; Y240-F249 HydrophobicContact CD1-CE1 4.04Å; Y240-F249 HydrophobicContact CE1-CB 4.43Å; Y240-F249 HydrophobicContact CE1-CD1 4.03Å; Y240-F249 HydrophobicContact CE1-CG 4.28Å; M245-F249 HydrophobicContact CE-CE2 3.96Å; M245-F249 HydrophobicContact CE-CZ 3.61Å; R247-F249 HydrophobicContact CB-CE2 4.23Å; R247-F249 HydrophobicContact CB-CZ 4.19Å; R247-F249 VanDerWaalsContact CD-CE1 3.42Å; R247-F249 HydrophobicContact CG-CD1 4.2Å; R247-F249 HydrophobicContact CG-CD2 4.48Å; R247-F249 HydrophobicContact CG-CE1 3.96Å; R247-F249 HydrophobicContact CG-CE2 4.28Å; R247-F249 HydrophobicContact CG-CG 4.45Å; R247-F249 HydrophobicContact CG-CZ 4.02Å; F249-A251 PolarHBondContact O-N 3.37Å; F249-V269 HydrophobicContact CB-CB 4.13Å; F249-V269 HydrophobicContact CB-CG1 3.92Å; F249-V269 HydrophobicContact CD2-CG1 4.06Å; F249-V269 HydrophobicContact CG-CG1 4.32Å; F249-V269 PolarHBondContact N-O 2.89Å; F249-Y318 HydrophobicContact CB-CE2 4.47Å; F249-Y318 WeakPolarHBondContact CB-OH 3.25Å; F249-Y318 VanDerWaalsContact O-CE2 3.23Å; F249-Y318 WeakPolarHBondContact O-CE2 3.19Å
250A96.9Very high94.1Very high0 Ų033.9 Ų33.90%017%0.166CC..  trans-83.151.6-177.300000113.5H248 K252 L253 V269 Y318H248-A250 PolarHBondContact CE1-O 2.99Å; H248-A250 VanDerWaalsContact CE1-O 3.22Å; H248-A250 PolarHBondContact NE2-O 3.4Å; A250-K252 VanDerWaalsContact C-N 3.25Å; A250-K252 PolarHBondContact O-N 2.96Å; A250-L253 HydrophobicContact CB-CD2 4.21Å; A250-L253 HydrophobicContact CB-CG 4.36Å; A250-V269 HydrophobicContact CB-CB 3.85Å; A250-V269 HydrophobicContact CB-CG2 4.03Å; A250-V269 PolarHBondContact N-O 3.38Å; A250-Y318 HydrophobicContact CB-CD1 4.22Å; A250-Y318 HydrophobicContact CB-CD2 3.94Å; A250-Y318 HydrophobicContact CB-CE1 4.41Å; A250-Y318 HydrophobicContact CB-CE2 4.15Å; A250-Y318 HydrophobicContact CB-CG 3.99Å
251A94.9Very high93.6Very high9 Ų934.2 Ų34.27%0.07417%0.168CC..  trans-63.9-26-17700000114.5H248 F249 L260 R310 P311 G316H248-A251 VanDerWaalsContact CE1-CA 3.46Å; H248-A251 WeakPolarHBondContact CE1-CA 3.28Å; F249-A251 PolarHBondContact O-N 3.37Å; A251-L260 WeakPolarHBondContact O-CD1 3.48Å; A251-R310 HydrophobicContact CB-CB 4.31Å; A251-R310 HydrophobicContact CB-CG 4.15Å; A251-P311 HydrophobicContact CB-CG 4.46Å; A251-G316 PolarHBondContact N-O 3.22Å
252K95.2Very high93.4Very high62 Ų6234.9 Ų34.927%0.2717%0.171SC..EExtended strand (participates in β ladder)trans-134.995.1-177-64.3-176.6176.3176.80110.4A250 Y258 G313 G316 K317 Y318A250-K252 VanDerWaalsContact C-N 3.25Å; A250-K252 PolarHBondContact O-N 2.96Å; K252-Y258 HydrophobicContact CB-CD1 4.25Å; K252-Y258 WeakPolarHBondContact CG-O 3.46Å; K252-Y258 WeakPolarHBondContact O-CD1 3.49Å; K252-G313 VanDerWaalsContact CE-O 3.3Å; K252-G313 WeakPolarHBondContact CE-O 3.26Å; K252-G313 PolarHBondContact NZ-O 2.8Å; K252-G316 WeakPolarHBondContact CA-O 3.49Å; K252-G316 WeakPolarHBondContact CB-O 3.41Å; K252-G316 PolarHBondContact N-O 2.94Å; K252-K317 HydrophobicContact CB-CG 4.13Å; K252-K317 HydrophobicContact CD-CG 4.23Å; K252-K317 CarbonylContact O-C 3.44Å; K252-K317 VanDerWaalsContact O-CA 3.31Å; K252-K317 WeakPolarHBondContact O-CA 3.29Å; K252-Y318 PolarHBondContact O-N 3.32Å
253L93.1Very high93.1Very high3 Ų341.6 Ų41.62%0.01620%0.199CC..EExtended strand (participates in β ladder)trans-91135.9177-70.2160.5000111.1H231 A250 K255 Y256 M257 Y258 F265 Y318H231-L253 HydrophobicContact CB-CD2 4.24Å; H231-L253 WeakPolarHBondContact ND1-CD2 3.04Å; A250-L253 HydrophobicContact CB-CD2 4.21Å; A250-L253 HydrophobicContact CB-CG 4.36Å; L253-K255 VanDerWaalsContact C-N 3.27Å; L253-K255 HydrophobicContact CB-CG 4.23Å; L253-K255 PolarHBondContact O-N 3.45Å; L253-Y256 HydrophobicContact CB-CD2 3.82Å; L253-Y256 HydrophobicContact CB-CE2 4.42Å; L253-Y256 HydrophobicContact CD1-CD2 3.88Å; L253-Y256 HydrophobicContact CD1-CE2 3.73Å; L253-Y256 HydrophobicContact CG-CD2 4.47Å; L253-Y256 CarbonylContact O-C 3.49Å; L253-Y256 WeakPolarHBondContact O-CA 3.32Å; L253-Y256 PolarHBondContact O-N 3.31Å; L253-M257 PolarHBondContact O-N 3.19Å; L253-Y258 WeakPolarHBondContact O-CA 3.46Å; L253-Y258 PolarHBondContact O-N 3.43Å; L253-F265 HydrophobicContact CD1-CE1 4.19Å; L253-F265 HydrophobicContact CD1-CZ 4.23Å; L253-Y318 HydrophobicContact CD2-CG 4.48Å
254D92.3Very high93.1Very high34 Ų3444 Ų4418%0.18221%0.205CC..G310 helixtrans-56.5-37.1176.669-21.8000113.5Y256 M257 Y258 Y318 K319 S320D254-Y256 PolarHBondContact O-N 3.24Å; D254-Y256 VanDerWaalsContact O-N 3.12Å; D254-M257 WeakPolarHBondContact O-CA 3.32Å; D254-M257 PolarHBondContact O-N 3.22Å; D254-Y258 HydrophobicContact CB-CD1 4.47Å; D254-Y258 HydrophobicContact CB-CE1 3.77Å; D254-Y258 HydrophobicContact CB-CE2 3.93Å; D254-Y258 VanDerWaalsContact CB-CZ 3.48Å; D254-Y318 PolarHBondContact N-O 3.1Å; D254-K319 WeakPolarHBondContact OD2-CD 3.44Å; D254-K319 WeakPolarHBondContact OD2-CE 3.46Å; D254-K319 IonicContact OD2-NZ 2.8Å; D254-S320 WeakPolarHBondContact OD1-CB 3.42Å; D254-S320 PolarHBondContact OD1-N 3.24Å; D254-S320 PolarHBondContact OD1-OG 3.49Å; D254-S320 PolarHBondContact OD2-N 2.86Å; D254-S320 VanDerWaalsContact OD2-N 3.14Å
255K86.1Confident93Very high73 Ų7338.2 Ų38.232%0.31718%0.178SC..G310 helixtrans-62.5-18.7176.579.7-172.8-168.7-165.50113.3H231 L253H231-K255 PolarHBondContact CE1-NZ 2.83Å; H231-K255 VanDerWaalsContact CE1-NZ 3.32Å; H231-K255 PolarHBondContact NE2-NZ 3.36Å; L253-K255 VanDerWaalsContact C-N 3.27Å; L253-K255 HydrophobicContact CB-CG 4.23Å; L253-K255 PolarHBondContact O-N 3.45Å
256Y86.5Confident93Very high8 Ų837.3 Ų37.33%0.03117%0.174CC..G310 helixtrans-109.924.5173.2-54.2-46.9000111.8T41 F44 M45 L253 D254 Y258 I259 P261 F265T41-Y256 HydrophobicContact CG2-CD1 4.17Å; T41-Y256 HydrophobicContact CG2-CE1 3.79Å; F44-Y256 HydrophobicContact CD1-CD1 4.41Å; F44-Y256 AromaticContact CD1-CE1 3.56Å; F44-Y256 HydrophobicContact CD1-CE1 3.56Å; F44-Y256 AromaticContact CD1-CZ 3.76Å; F44-Y256 AromaticContact CE1-CE1 3.77Å; F44-Y256 HydrophobicContact CE1-CE1 3.77Å; F44-Y256 HydrophobicContact CE1-CE2 4.18Å; F44-Y256 AromaticContact CE1-CZ 3.57Å; M45-Y256 HydrophobicContact CG-CD1 3.74Å; M45-Y256 HydrophobicContact CG-CE1 4.22Å; M45-Y256 HydrophobicContact SD-CD1 3.67Å; M45-Y256 HydrophobicContact SD-CG 4.13Å; L253-Y256 HydrophobicContact CB-CD2 3.82Å; L253-Y256 HydrophobicContact CB-CE2 4.42Å; L253-Y256 HydrophobicContact CD1-CD2 3.88Å; L253-Y256 HydrophobicContact CD1-CE2 3.73Å; L253-Y256 HydrophobicContact CG-CD2 4.47Å; L253-Y256 CarbonylContact O-C 3.49Å; L253-Y256 WeakPolarHBondContact O-CA 3.32Å; L253-Y256 PolarHBondContact O-N 3.31Å; D254-Y256 PolarHBondContact O-N 3.24Å; D254-Y256 VanDerWaalsContact O-N 3.12Å; Y256-Y258 PolarHBondContact O-N 3.27Å; Y256-I259 WeakPolarHBondContact O-CB 3.49Å; Y256-I259 PolarHBondContact O-N 3.42Å; Y256-P261 HydrophobicContact CD2-CG 3.65Å; Y256-P261 HydrophobicContact CE2-CG 3.99Å; Y256-P261 HydrophobicContact CG-CG 4Å; Y256-F265 HydrophobicContact CE2-CE2 4.49Å; Y256-F265 HydrophobicContact CE2-CZ 4Å
257M90.3Very high92.8Very high118 Ų11837.4 Ų37.458%0.58118%0.175SC*.THydrogen-bonded Turntrans56.531.3-179-56.9172-75.100113.1L253 D254 I259L253-M257 PolarHBondContact O-N 3.19Å; D254-M257 WeakPolarHBondContact O-CA 3.32Å; D254-M257 PolarHBondContact O-N 3.22Å; M257-I259 HydrophobicContact CB-CD1 4.48Å; M257-I259 PolarHBondContact O-N 3.45Å
258Y93.3Very high92.7Very high70 Ų7036.7 Ų36.728%0.27517%0.173SC..THydrogen-bonded Turntrans59.125.1-175.6-55.9-78.3000114.2E234 K252 L253 D254 Y256 K317E234-Y258 PolarHBondContact OE1-OH 2.98Å; E234-Y258 VanDerWaalsContact OE2-CE1 3.24Å; E234-Y258 WeakPolarHBondContact OE2-CE1 3.23Å; E234-Y258 PolarHBondContact OE2-OH 3.43Å; K252-Y258 HydrophobicContact CB-CD1 4.25Å; K252-Y258 WeakPolarHBondContact CG-O 3.46Å; K252-Y258 WeakPolarHBondContact O-CD1 3.49Å; L253-Y258 WeakPolarHBondContact O-CA 3.46Å; L253-Y258 PolarHBondContact O-N 3.43Å; D254-Y258 HydrophobicContact CB-CD1 4.47Å; D254-Y258 HydrophobicContact CB-CE1 3.77Å; D254-Y258 HydrophobicContact CB-CE2 3.93Å; D254-Y258 VanDerWaalsContact CB-CZ 3.48Å; Y256-Y258 PolarHBondContact O-N 3.27Å; Y258-K317 HydrophobicContact CD1-CB 4.06Å; Y258-K317 HydrophobicContact CD1-CD 4.12Å; Y258-K317 HydrophobicContact CD1-CG 3.73Å; Y258-K317 HydrophobicContact CE1-CB 4.02Å; Y258-K317 HydrophobicContact CE1-CD 4.26Å; Y258-K317 HydrophobicContact CE1-CG 4.1Å; Y258-K317 HydrophobicContact CG-CG 4.49Å
259I89.8Confident92.7Very high93 Ų9336.7 Ų36.748%0.47717%0.173SC..  trans-106.1130.8174.6-58.6172.3000108Y256 M257 P261Y256-I259 WeakPolarHBondContact O-CB 3.49Å; Y256-I259 PolarHBondContact O-N 3.42Å; M257-I259 HydrophobicContact CB-CD1 4.48Å; M257-I259 PolarHBondContact O-N 3.45Å; I259-P261 WeakPolarHBondContact O-CD 3.09Å
260L91.6Very high92.7Very high47 Ų4736.7 Ų36.725%0.24617%0.174CC..  trans-62.4121.8171-175.370.6000109A251 Y262 F265A251-L260 WeakPolarHBondContact O-CD1 3.48Å; L260-Y262 WeakPolarHBondContact CG-O 3.23Å; L260-Y262 PolarHBondContact O-N 3.38Å; L260-F265 HydrophobicContact CD1-CB 4.12Å; L260-F265 HydrophobicContact CD1-CD1 3.84Å; L260-F265 HydrophobicContact CD1-CG 4.43Å
261P87.4Confident92.8Very high7 Ų736.7 Ų36.75%0.04517%0.174CC..SBendtrans-57.6-45.6-173.6-28.936.4000114.2F44 M45 A48 Y256 I259 F265F44-P261 HydrophobicContact CE1-CB 3.7Å; F44-P261 HydrophobicContact CE1-CG 3.75Å; F44-P261 HydrophobicContact CZ-CB 4.05Å; F44-P261 HydrophobicContact CZ-CG 4.29Å; M45-P261 HydrophobicContact CE-CB 4.09Å; A48-P261 HydrophobicContact CB-CB 4.01Å; Y256-P261 HydrophobicContact CD2-CG 3.65Å; Y256-P261 HydrophobicContact CE2-CG 3.99Å; Y256-P261 HydrophobicContact CG-CG 4Å; I259-P261 WeakPolarHBondContact O-CD 3.09Å; P261-F265 HydrophobicContact CB-CD2 4.48Å; P261-F265 HydrophobicContact CB-CG 4.45Å; P261-F265 HydrophobicContact CG-CD1 4.23Å; P261-F265 HydrophobicContact CG-CD2 4.18Å; P261-F265 HydrophobicContact CG-CE1 4.46Å; P261-F265 HydrophobicContact CG-CE2 4.41Å; P261-F265 HydrophobicContact CG-CG 4.08Å
262Y90.2Very high92.9Very high13 Ų1336.3 Ų36.35%0.05117%0.17CC..SBendtrans-159.7165.2174.846.4-93.2000109F44 A48 L260 E264 F265 D295F44-Y262 HydrophobicContact CE1-CE1 4.47Å; F44-Y262 AromaticContact CE2-CE1 3.83Å; F44-Y262 HydrophobicContact CE2-CE1 3.83Å; F44-Y262 AromaticContact CZ-CE1 3.57Å; F44-Y262 HydrophobicContact CZ-CE1 3.57Å; A48-Y262 HydrophobicContact CB-CD1 3.61Å; A48-Y262 HydrophobicContact CB-CE1 4.11Å; L260-Y262 WeakPolarHBondContact CG-O 3.23Å; L260-Y262 PolarHBondContact O-N 3.38Å; Y262-E264 VanDerWaalsContact C-N 3.28Å; Y262-E264 HydrophobicContact CD2-CB 4.04Å; Y262-E264 HydrophobicContact CE2-CB 4.28Å; Y262-E264 PolarHBondContact O-N 3.06Å; Y262-F265 HydrophobicContact CD2-CB 3.91Å; Y262-F265 HydrophobicContact CE1-CD2 4.38Å; Y262-F265 HydrophobicContact CE2-CB 3.7Å; Y262-F265 HydrophobicContact CE2-CD2 4.38Å; Y262-F265 HydrophobicContact CG-CB 4.38Å; Y262-F265 AromaticContact CZ-CD2 3.93Å; Y262-F265 VanDerWaalsContact O-CB 3.25Å; Y262-F265 WeakPolarHBondContact O-CB 3.28Å; Y262-F265 PolarHBondContact O-N 3.5Å; Y262-F265 VanDerWaalsContact O-N 3.14Å; Y262-D295 VanDerWaalsContact CE2-OD1 3.26Å; Y262-D295 WeakPolarHBondContact CE2-OD1 3.47Å; Y262-D295 PolarHBondContact OH-OD1 2.91Å; Y262-D295 PolarHBondContact OH-OD2 2.9Å
263K90.1Very high93.1Very high148 Ų14834.8 Ų34.864%0.64317%0.166SC*.THydrogen-bonded Turntrans-62-34.3-169.3-178.9-177.9176.2-174.90113.2F265 W298 R310K263-F265 VanDerWaalsContact C-N 3.32Å; K263-W298 WeakPolarHBondContact O-CH2 3.33Å; K263-R310 VanDerWaalsContact O-CZ 3.28Å; K263-R310 PolarHBondContact O-NH1 3.46Å; K263-R310 PolarHBondContact O-NH2 2.83Å
264E92.4Very high93.4Very high68 Ų6835.2 Ų35.232%0.31817%0.169SC..THydrogen-bonded Turntrans-83-7.2-177.2-6070.8-156.900113Y262 F266 W298Y262-E264 VanDerWaalsContact C-N 3.28Å; Y262-E264 HydrophobicContact CD2-CB 4.04Å; Y262-E264 HydrophobicContact CE2-CB 4.28Å; Y262-E264 PolarHBondContact O-N 3.06Å; E264-F266 PolarHBondContact O-N 3.1Å; E264-W298 HydrophobicContact CB-CD2 4.15Å; E264-W298 HydrophobicContact CB-CG 4.07Å
265F92.9Very high93.7Very high9 Ų940.4 Ų40.44%0.03919%0.192CC..  trans-60.6120.1-176.7-179.5-101.4000111.4F44 H248 L253 Y256 L260 P261 Y262 K263 R310F44-F265 HydrophobicContact CE1-CE2 4.39Å; F44-F265 AromaticContact CZ-CD2 3.9Å; F44-F265 HydrophobicContact CZ-CD2 3.9Å; F44-F265 AromaticContact CZ-CE2 3.84Å; F44-F265 HydrophobicContact CZ-CE2 3.84Å; H248-F265 AromaticContact CE1-CD1 3.67Å; H248-F265 AromaticContact CE1-CE1 3.97Å; H248-F265 AromaticContact NE2-CD1 3.89Å; H248-F265 AromaticContact NE2-CE1 3.86Å; L253-F265 HydrophobicContact CD1-CE1 4.19Å; L253-F265 HydrophobicContact CD1-CZ 4.23Å; Y256-F265 HydrophobicContact CE2-CE2 4.49Å; Y256-F265 HydrophobicContact CE2-CZ 4Å; L260-F265 HydrophobicContact CD1-CB 4.12Å; L260-F265 HydrophobicContact CD1-CD1 3.84Å; L260-F265 HydrophobicContact CD1-CG 4.43Å; P261-F265 HydrophobicContact CB-CD2 4.48Å; P261-F265 HydrophobicContact CB-CG 4.45Å; P261-F265 HydrophobicContact CG-CD1 4.23Å; P261-F265 HydrophobicContact CG-CD2 4.18Å; P261-F265 HydrophobicContact CG-CE1 4.46Å; P261-F265 HydrophobicContact CG-CE2 4.41Å; P261-F265 HydrophobicContact CG-CG 4.08Å; Y262-F265 HydrophobicContact CD2-CB 3.91Å; Y262-F265 HydrophobicContact CE1-CD2 4.38Å; Y262-F265 HydrophobicContact CE2-CB 3.7Å; Y262-F265 HydrophobicContact CE2-CD2 4.38Å; Y262-F265 HydrophobicContact CG-CB 4.38Å; Y262-F265 AromaticContact CZ-CD2 3.93Å; Y262-F265 VanDerWaalsContact O-CB 3.25Å; Y262-F265 WeakPolarHBondContact O-CB 3.28Å; Y262-F265 PolarHBondContact O-N 3.5Å; Y262-F265 VanDerWaalsContact O-N 3.14Å; K263-F265 VanDerWaalsContact C-N 3.32Å; F265-R310 PolarHBondContact O-NH2 3.39Å
266F96.9Very high94.3Very high1 Ų138 Ų380%0.00418%0.182CC..  trans-130.716.3-175.5-157.6-153.6000113.7P246 H248 E264 L272 L297 W298 V301 V308P246-F266 HydrophobicContact CB-CZ 4.18Å; H248-F266 HydrophobicContact CB-CD2 3.62Å; H248-F266 HydrophobicContact CB-CE2 3.69Å; H248-F266 AromaticContact CD2-CD2 3.85Å; H248-F266 AromaticContact CG-CD2 3.93Å; E264-F266 PolarHBondContact O-N 3.1Å; F266-L272 HydrophobicContact CE1-CD1 4.28Å; F266-L272 HydrophobicContact CZ-CD1 4.25Å; F266-L297 HydrophobicContact CD1-CB 4.29Å; F266-L297 HydrophobicContact CD1-CD2 3.56Å; F266-L297 HydrophobicContact CD1-CG 3.87Å; F266-L297 HydrophobicContact CE1-CD2 3.5Å; F266-L297 HydrophobicContact CE1-CG 3.87Å; F266-L297 HydrophobicContact CZ-CD2 4.49Å; F266-W298 HydrophobicContact CB-CB 4.17Å; F266-W298 HydrophobicContact CB-CE3 4.02Å; F266-W298 HydrophobicContact CD1-CB 4.38Å; F266-W298 HydrophobicContact CG-CE3 4.16Å; F266-V301 HydrophobicContact CE1-CG2 4.19Å; F266-V308 HydrophobicContact CD2-CG1 3.95Å; F266-V308 HydrophobicContact CE1-CG2 4.27Å; F266-V308 HydrophobicContact CE2-CG1 3.62Å; F266-V308 HydrophobicContact CE2-CG2 4.25Å; F266-V308 HydrophobicContact CZ-CG1 4.22Å; F266-V308 HydrophobicContact CZ-CG2 4.1Å
267G94.2Very high94.9Very high3 Ų337.7 Ų37.73%0.03118%0.181CC..  trans-81.2179.7179.500000114.1H248 V269 D294H248-G267 PolarHBondContact NE2-O 2.82Å; G267-V269 PolarHBondContact O-N 2.7Å; G267-V269 VanDerWaalsContact O-N 3.11Å; G267-D294 WeakPolarHBondContact CA-OD2 3.12Å; G267-D294 PolarHBondContact N-OD2 2.77Å
268G95.3Very high95.3Very high4 Ų438.7 Ų38.74%0.04118%0.178CC..SBendtrans80.4-89.117900000113.4D228D228-G268 VanDerWaalsContact CG-O 3.25Å; D228-G268 PolarHBondContact N-O 3.44Å; D228-G268 VanDerWaalsContact OD2-CA 3.32Å; D228-G268 WeakPolarHBondContact OD2-CA 3.42Å
269V98.5Very high95.5Very high0 Ų041.2 Ų41.20%019%0.191CC..EExtended strand (participates in β ladder)trans-133.9116.9178.5-170.20000110.3I225 F226 H227 H231 F249 A250 G267 Y318I225-V269 HydrophobicContact CG2-CG1 3.8Å; F226-V269 WeakPolarHBondContact O-CA 3.48Å; H227-V269 HydrophobicContact CB-CG1 4.41Å; H227-V269 WeakPolarHBondContact CD2-CG1 3.33Å; H231-V269 HydrophobicContact CB-CG2 4.03Å; F249-V269 HydrophobicContact CB-CB 4.13Å; F249-V269 HydrophobicContact CB-CG1 3.92Å; F249-V269 HydrophobicContact CD2-CG1 4.06Å; F249-V269 HydrophobicContact CG-CG1 4.32Å; F249-V269 PolarHBondContact N-O 2.89Å; A250-V269 HydrophobicContact CB-CB 3.85Å; A250-V269 HydrophobicContact CB-CG2 4.03Å; A250-V269 PolarHBondContact N-O 3.38Å; G267-V269 PolarHBondContact O-N 2.7Å; G267-V269 VanDerWaalsContact O-N 3.11Å; V269-Y318 HydrophobicContact CB-CE1 4.32Å; V269-Y318 HydrophobicContact CG2-CD1 4.28Å; V269-Y318 HydrophobicContact CG2-CE1 3.8Å
270S98.5Very high95.9Very high1 Ų136.8 Ų36.81%0.00717%0.168CC..EExtended strand (participates in β ladder)trans-137162.9179.1560000111.1I225 F226 R247I225-S270 CarbonylContact C-O 3.24Å; I225-S270 WeakPolarHBondContact CA-O 3.38Å; F226-S270 PolarHBondContact N-O 3.24Å; F226-S270 PolarHBondContact O-N 3.17Å; F226-S270 VanDerWaalsContact O-N 3.08Å; R247-S270 CarbonylContact O-C 3.54Å; R247-S270 VanDerWaalsContact O-CA 3.24Å; R247-S270 WeakPolarHBondContact O-CA 3.41Å
271G98.5Very high96.3Very high0 Ų035.7 Ų35.70%016%0.162CC..EExtended strand (participates in β ladder)trans-145.3153.1177.400000112.6V224 P246 R247V224-G271 WeakPolarHBondContact O-CA 3.34Å; P246-G271 WeakPolarHBondContact CA-O 3.44Å; R247-G271 PolarHBondContact N-O 3.11Å; R247-G271 PolarHBondContact O-N 2.87Å
272L98.9Very high96.8Very high0 Ų035.4 Ų35.40%016%0.16CC..EExtended strand (participates in β ladder)trans-140.1148.8174.8-75.791.5000108.8C223 V224 F226 P246 F266 Q276 F277 I280 L297 V301C223-L272 WeakPolarHBondContact CA-O 3.36Å; C223-L272 VanDerWaalsContact CB-O 3.23Å; C223-L272 WeakPolarHBondContact CB-O 3.26Å; V224-L272 PolarHBondContact N-O 3.33Å; V224-L272 PolarHBondContact O-N 3.09Å; V224-L272 VanDerWaalsContact O-N 3.11Å; F226-L272 HydrophobicContact CD2-CD1 4.12Å; F226-L272 HydrophobicContact CE2-CB 4.31Å; F226-L272 HydrophobicContact CE2-CD1 3.59Å; P246-L272 HydrophobicContact CB-CD2 4.36Å; P246-L272 HydrophobicContact CB-CG 3.94Å; P246-L272 HydrophobicContact CG-CD2 4.13Å; P246-L272 HydrophobicContact CG-CG 4.12Å; F266-L272 HydrophobicContact CE1-CD1 4.28Å; F266-L272 HydrophobicContact CZ-CD1 4.25Å; L272-Q276 HydrophobicContact CB-CB 4.27Å; L272-Q276 HydrophobicContact CD2-CB 4.1Å; L272-F277 HydrophobicContact CB-CB 4.17Å; L272-F277 HydrophobicContact CD2-CD2 4.39Å; L272-I280 HydrophobicContact CD2-CD1 3.65Å; L272-I280 HydrophobicContact CD2-CG1 4.5Å; L272-L297 HydrophobicContact CD1-CD2 4.34Å; L272-V301 HydrophobicContact CD2-CG2 3.88Å
273T98.9Very high97.2Very high31 Ų3134.8 Ų34.819%0.1916%0.158CC..EExtended strand (participates in β ladder)trans-62.6155.4164.763.50000110M245 E275 Q276 F277M245-T273 HydrophobicContact CB-CG2 3.9Å; M245-T273 HydrophobicContact CG-CG2 4.21Å; T273-E275 PolarHBondContact O-N 3.01Å; T273-Q276 PolarHBondContact O-N 3.49Å; T273-Q276 VanDerWaalsContact OG1-CB 3.31Å; T273-Q276 WeakPolarHBondContact OG1-CB 3.23Å; T273-Q276 WeakPolarHBondContact OG1-CG 3.09Å; T273-Q276 PolarHBondContact OG1-N 3.23Å; T273-Q276 VanDerWaalsContact OG1-N 3.12Å; T273-Q276 PolarHBondContact OG1-OE1 3.32Å; T273-F277 PolarHBondContact O-N 3.46Å
274V98.8Very high97.6Very high11 Ų1127.8 Ų27.87%0.06713%0.127CC..Hα-helixtrans-57.3-38.4176.9167.80000111.3F212 M216 W221 D222 R278F212-V274 HydrophobicContact CE2-CG1 4.21Å; F212-V274 HydrophobicContact CE2-CG2 4.28Å; F212-V274 HydrophobicContact CZ-CG1 4.07Å; M216-V274 HydrophobicContact CE-CG2 3.84Å; M216-V274 HydrophobicContact SD-CB 4.42Å; M216-V274 HydrophobicContact SD-CG1 3.71Å; M216-V274 HydrophobicContact SD-CG2 3.75Å; W221-V274 HydrophobicContact CB-CG2 4.37Å; W221-V274 VanDerWaalsContact O-CG2 3.24Å; W221-V274 WeakPolarHBondContact O-CG2 3.42Å; D222-V274 PolarHBondContact O-N 3.48Å; V274-R278 WeakPolarHBondContact O-CG 3.39Å; V274-R278 PolarHBondContact O-N 3.03Å; V274-R278 VanDerWaalsContact O-N 3.08Å
275E98.6Very high97.8Very high144 Ų14424.6 Ų24.667%0.67311%0.112SC*.Hα-helixtrans-64.5-48.8175.9-172.8-173.2161.400112T273 F277 R278 K279T273-E275 PolarHBondContact O-N 3.01Å; E275-F277 VanDerWaalsContact C-N 3.32Å; E275-F277 PolarHBondContact O-N 3.31Å; E275-R278 PolarHBondContact O-N 2.86Å; E275-K279 WeakPolarHBondContact O-CB 3.26Å; E275-K279 PolarHBondContact O-N 3.19Å
276Q98.8Very high97.9Very high23 Ų2325.3 Ų25.311%0.10712%0.12CC..Hα-helixtrans-59.4-44.9178.7-74164.7-14.400111.4M245 L272 T273 R278 K279 I280 Y306M245-Q276 VanDerWaalsContact CB-OE1 3.24Å; M245-Q276 PolarHBondContact O-NE2 3.39Å; L272-Q276 HydrophobicContact CB-CB 4.27Å; L272-Q276 HydrophobicContact CD2-CB 4.1Å; T273-Q276 PolarHBondContact O-N 3.49Å; T273-Q276 VanDerWaalsContact OG1-CB 3.31Å; T273-Q276 WeakPolarHBondContact OG1-CB 3.23Å; T273-Q276 WeakPolarHBondContact OG1-CG 3.09Å; T273-Q276 PolarHBondContact OG1-N 3.23Å; T273-Q276 VanDerWaalsContact OG1-N 3.12Å; T273-Q276 PolarHBondContact OG1-OE1 3.32Å; Q276-R278 PolarHBondContact O-N 3.27Å; Q276-K279 PolarHBondContact O-N 3.08Å; Q276-I280 WeakPolarHBondContact O-CG1 3.38Å; Q276-I280 PolarHBondContact O-N 3.24Å; Q276-I280 VanDerWaalsContact O-N 3.12Å; Q276-Y306 HydrophobicContact CB-CE2 4.1Å; Q276-Y306 HydrophobicContact CG-CD2 4.32Å; Q276-Y306 HydrophobicContact CG-CE1 4.1Å; Q276-Y306 HydrophobicContact CG-CE2 3.77Å
277F98.8Very high97.7Very high0 Ų025.3 Ų25.30%012%0.12CC..Hα-helixtrans-65.3-39.9-179.2-167.3-108.5000112.4N209 F212 V224 F226 L272 T273 E275 I280 G282 F283 L350N209-F277 WeakPolarHBondContact OD1-CZ 3.44Å; F212-F277 HydrophobicContact CB-CD1 4.2Å; F212-F277 HydrophobicContact CB-CE1 3.63Å; F212-F277 AromaticContact CD1-CD1 3.85Å; F212-F277 HydrophobicContact CD1-CD1 3.85Å; F212-F277 AromaticContact CD1-CE1 3.85Å; F212-F277 HydrophobicContact CD1-CE1 3.85Å; F212-F277 AromaticContact CD2-CD1 3.28Å; F212-F277 HydrophobicContact CD2-CD1 3.28Å; F212-F277 AromaticContact CD2-CE1 3.66Å; F212-F277 HydrophobicContact CD2-CE1 3.66Å; F212-F277 HydrophobicContact CD2-CG 4.23Å; F212-F277 HydrophobicContact CE1-CD1 4.02Å; F212-F277 HydrophobicContact CE1-CE1 4.44Å; F212-F277 HydrophobicContact CE2-CB 4.23Å; F212-F277 AromaticContact CE2-CD1 3.5Å; F212-F277 HydrophobicContact CE2-CD1 3.5Å; F212-F277 HydrophobicContact CE2-CE1 4.3Å; F212-F277 HydrophobicContact CE2-CG 4.26Å; F212-F277 AromaticContact CG-CD1 3.49Å; F212-F277 HydrophobicContact CG-CD1 3.49Å; F212-F277 VanDerWaalsContact CG-CD1 3.49Å; F212-F277 AromaticContact CG-CE1 3.41Å; F212-F277 HydrophobicContact CG-CE1 3.41Å; F212-F277 VanDerWaalsContact CG-CE1 3.41Å; F212-F277 AromaticContact CZ-CD1 3.87Å; F212-F277 HydrophobicContact CZ-CD1 3.87Å; V224-F277 HydrophobicContact CG2-CB 4.47Å; V224-F277 HydrophobicContact CG2-CG 4.49Å; F226-F277 HydrophobicContact CE1-CD2 4.37Å; F226-F277 HydrophobicContact CE1-CE1 4.5Å; F226-F277 AromaticContact CE1-CE2 3.86Å; F226-F277 HydrophobicContact CE1-CE2 3.86Å; F226-F277 AromaticContact CE1-CZ 3.91Å; F226-F277 HydrophobicContact CE1-CZ 3.91Å; F226-F277 AromaticContact CE2-CD2 3.9Å; F226-F277 HydrophobicContact CE2-CD2 3.9Å; F226-F277 AromaticContact CE2-CE2 3.94Å; F226-F277 HydrophobicContact CE2-CE2 3.94Å; F226-F277 HydrophobicContact CZ-CD1 4.38Å; F226-F277 AromaticContact CZ-CD2 3.37Å; F226-F277 HydrophobicContact CZ-CD2 3.37Å; F226-F277 HydrophobicContact CZ-CE1 4.25Å; F226-F277 AromaticContact CZ-CE2 3.22Å; F226-F277 HydrophobicContact CZ-CE2 3.22Å; F226-F277 AromaticContact CZ-CG 3.95Å; F226-F277 HydrophobicContact CZ-CG 3.95Å; F226-F277 AromaticContact CZ-CZ 3.7Å; F226-F277 HydrophobicContact CZ-CZ 3.7Å; L272-F277 HydrophobicContact CB-CB 4.17Å; L272-F277 HydrophobicContact CD2-CD2 4.39Å; T273-F277 PolarHBondContact O-N 3.46Å; E275-F277 VanDerWaalsContact C-N 3.32Å; E275-F277 PolarHBondContact O-N 3.31Å; F277-I280 HydrophobicContact CD2-CD1 4.31Å; F277-I280 VanDerWaalsContact O-CG1 3.31Å; F277-I280 WeakPolarHBondContact O-CG1 3.29Å; F277-G282 VanDerWaalsContact CE2-CA 3.45Å; F277-G282 PolarHBondContact O-N 3.34Å; F277-F283 AromaticContact CE2-CD2 3.49Å; F277-F283 HydrophobicContact CE2-CD2 3.49Å; F277-F283 VanDerWaalsContact CE2-CD2 3.49Å; F277-F283 AromaticContact CE2-CE2 3.83Å; F277-F283 HydrophobicContact CE2-CE2 3.83Å; F277-F283 HydrophobicContact CE2-CG 4.47Å; F277-F283 AromaticContact CZ-CD2 3.68Å; F277-F283 HydrophobicContact CZ-CD2 3.68Å; F277-F283 HydrophobicContact CZ-CE2 4.3Å; F277-L350 HydrophobicContact CD1-CD1 3.98Å; F277-L350 HydrophobicContact CE1-CD1 3.96Å; F277-L350 HydrophobicContact CE1-CD2 4.05Å; F277-L350 HydrophobicContact CE1-CG 4.29Å
278R98.6Very high97.7Very high140 Ų14026.6 Ų26.653%0.52812%0.124SC..Hα-helixtrans-63.2-45.3172.1-73.6177.9-177.9140.95.5111.9F212 V274 E275 Q276 I280 N281F212-R278 HydrophobicContact CE1-CG 4.1Å; F212-R278 HydrophobicContact CZ-CG 3.77Å; V274-R278 WeakPolarHBondContact O-CG 3.39Å; V274-R278 PolarHBondContact O-N 3.03Å; V274-R278 VanDerWaalsContact O-N 3.08Å; E275-R278 PolarHBondContact O-N 2.86Å; Q276-R278 PolarHBondContact O-N 3.27Å; R278-I280 PolarHBondContact O-N 3.43Å; R278-N281 PolarHBondContact O-N 2.91Å
279K98.5Very high97.3Very high123 Ų12327 Ų2754%0.53513%0.128SC..Hα-helixtrans-58.9-36.4-178.5-171-174.4-177.3-169.20112.3E275 Q276 N281 A304 Y306E275-K279 WeakPolarHBondContact O-CB 3.26Å; E275-K279 PolarHBondContact O-N 3.19Å; Q276-K279 PolarHBondContact O-N 3.08Å; K279-N281 VanDerWaalsContact C-N 3.27Å; K279-N281 PolarHBondContact O-N 3.32Å; K279-A304 HydrophobicContact CD-CB 4.47Å; K279-A304 PolarHBondContact NZ-O 3.22Å; K279-Y306 HydrophobicContact CD-CE2 3.84Å; K279-Y306 WeakPolarHBondContact CD-OH 3.45Å; K279-Y306 PolarHBondContact NZ-OH 2.82Å
280I98.4Very high96.5Very high0 Ų030.8 Ų30.80%014%0.142CC..THydrogen-bonded Turntrans-85.24.8179.768.4169.1000114.1L272 Q276 F277 R278 G282 L297 R300 V301 A304 Q345L272-I280 HydrophobicContact CD2-CD1 3.65Å; L272-I280 HydrophobicContact CD2-CG1 4.5Å; Q276-I280 WeakPolarHBondContact O-CG1 3.38Å; Q276-I280 PolarHBondContact O-N 3.24Å; Q276-I280 VanDerWaalsContact O-N 3.12Å; F277-I280 HydrophobicContact CD2-CD1 4.31Å; F277-I280 VanDerWaalsContact O-CG1 3.31Å; F277-I280 WeakPolarHBondContact O-CG1 3.29Å; R278-I280 PolarHBondContact O-N 3.43Å; I280-G282 PolarHBondContact O-N 3.39Å; I280-L297 HydrophobicContact CD1-CD1 3.64Å; I280-R300 HydrophobicContact CB-CB 4.25Å; I280-R300 HydrophobicContact CD1-CB 4.37Å; I280-V301 HydrophobicContact CD1-CG2 4.04Å; I280-A304 HydrophobicContact CG2-CB 3.64Å; I280-Q345 WeakPolarHBondContact O-CG 3.44Å; I280-Q345 PolarHBondContact O-NE2 3.21Å
281N98.6Very high95.8Very high24 Ų2431 Ų3113%0.12815%0.145CC..THydrogen-bonded Turntrans58.731.3-171.4-168.831.5000113.2R278 K279 Q345 G349 L350 N351R278-N281 PolarHBondContact O-N 2.91Å; K279-N281 VanDerWaalsContact C-N 3.27Å; K279-N281 PolarHBondContact O-N 3.32Å; N281-Q345 WeakPolarHBondContact CB-O 3.43Å; N281-Q345 PolarHBondContact ND2-O 2.83Å; N281-G349 CarbonylContact O-C 3.5Å; N281-G349 VanDerWaalsContact O-CA 3.22Å; N281-G349 WeakPolarHBondContact O-CA 2.99Å; N281-L350 PolarHBondContact O-N 3.22Å; N281-L350 PolarHBondContact OD1-N 2.95Å; N281-N351 PolarHBondContact ND2-OD1 3.48Å; N281-N351 PolarHBondContact OD1-N 2.97Å; N281-N351 PolarHBondContact OD1-OD1 3.43Å
282G98.5Very high95.4Very high0 Ų031 Ų310%015%0.145CC..SBendtrans59.4-156.4-177.900000115.5F277 I280 R300F277-G282 VanDerWaalsContact CE2-CA 3.45Å; F277-G282 PolarHBondContact O-N 3.34Å; I280-G282 PolarHBondContact O-N 3.39Å; G282-R300 WeakPolarHBondContact O-CD 3.21Å; G282-R300 PolarHBondContact O-NH1 3.37Å
283F98.6Very high95.3Very high1 Ų131.8 Ų31.80%0.00415%0.149CC..SBendtrans-74.3158177.1-85.1-87.1000112.1A205 F208 N209 F226 F277 L297 G349A205-F283 HydrophobicContact CB-CB 3.99Å; A205-F283 HydrophobicContact CB-CD1 4.1Å; A205-F283 HydrophobicContact CB-CG 4.33Å; A205-F283 WeakPolarHBondContact O-CB 3.34Å; F208-F283 HydrophobicContact CB-CD2 3.63Å; F208-F283 HydrophobicContact CB-CE2 3.8Å; F208-F283 HydrophobicContact CB-CG 4.43Å; F208-F283 HydrophobicContact CD2-CD2 4.04Å; F208-F283 HydrophobicContact CD2-CE1 4.18Å; F208-F283 AromaticContact CD2-CE2 3.63Å; F208-F283 HydrophobicContact CD2-CE2 3.63Å; F208-F283 AromaticContact CD2-CZ 3.69Å; F208-F283 HydrophobicContact CD2-CZ 3.69Å; F208-F283 HydrophobicContact CE2-CE2 4.43Å; F208-F283 HydrophobicContact CE2-CZ 4.13Å; F208-F283 HydrophobicContact CG-CD2 4.23Å; F208-F283 AromaticContact CG-CE2 3.95Å; F208-F283 HydrophobicContact CG-CE2 3.95Å; F208-F283 HydrophobicContact CG-CZ 4.44Å; N209-F283 PolarHBondContact ND2-O 2.83Å; N209-F283 PolarHBondContact OD1-N 2.83Å; F226-F283 HydrophobicContact CB-CE2 4.41Å; F226-F283 HydrophobicContact CB-CZ 4.39Å; F226-F283 AromaticContact CD1-CE2 3.63Å; F226-F283 HydrophobicContact CD1-CE2 3.63Å; F226-F283 HydrophobicContact CD1-CZ 4.41Å; F226-F283 AromaticContact CD2-CE2 3.84Å; F226-F283 HydrophobicContact CD2-CE2 3.84Å; F226-F283 HydrophobicContact CD2-CZ 4.19Å; F226-F283 HydrophobicContact CE1-CD2 4.29Å; F226-F283 AromaticContact CE1-CE2 3.71Å; F226-F283 HydrophobicContact CE1-CE2 3.71Å; F226-F283 AromaticContact CE2-CE2 3.96Å; F226-F283 HydrophobicContact CE2-CE2 3.96Å; F226-F283 AromaticContact CG-CE2 3.67Å; F226-F283 HydrophobicContact CG-CE2 3.67Å; F226-F283 HydrophobicContact CG-CZ 4.06Å; F226-F283 AromaticContact CZ-CE2 3.88Å; F226-F283 HydrophobicContact CZ-CE2 3.88Å; F277-F283 AromaticContact CE2-CD2 3.49Å; F277-F283 HydrophobicContact CE2-CD2 3.49Å; F277-F283 VanDerWaalsContact CE2-CD2 3.49Å; F277-F283 AromaticContact CE2-CE2 3.83Å; F277-F283 HydrophobicContact CE2-CE2 3.83Å; F277-F283 HydrophobicContact CE2-CG 4.47Å; F277-F283 AromaticContact CZ-CD2 3.68Å; F277-F283 HydrophobicContact CZ-CD2 3.68Å; F277-F283 HydrophobicContact CZ-CE2 4.3Å; F283-L297 HydrophobicContact CD1-CB 4.08Å; F283-L297 HydrophobicContact CD1-CD1 4.03Å; F283-L297 HydrophobicContact CD1-CD2 4.29Å; F283-L297 HydrophobicContact CD1-CG 4.35Å; F283-L297 HydrophobicContact CD2-CD1 4.28Å; F283-L297 HydrophobicContact CE1-CB 3.78Å; F283-L297 HydrophobicContact CE1-CD1 3.95Å; F283-L297 HydrophobicContact CE1-CD2 3.39Å; F283-L297 HydrophobicContact CE1-CG 3.89Å; F283-L297 HydrophobicContact CE2-CD1 4.15Å; F283-L297 HydrophobicContact CE2-CD2 4.01Å; F283-L297 HydrophobicContact CG-CD1 4.2Å; F283-L297 HydrophobicContact CZ-CB 4.46Å; F283-L297 HydrophobicContact CZ-CD1 4.01Å; F283-L297 HydrophobicContact CZ-CD2 3.21Å; F283-L297 HydrophobicContact CZ-CG 4.07Å; F283-G349 VanDerWaalsContact O-CA 3.26Å; F283-G349 WeakPolarHBondContact O-CA 3.3Å
284P97.5Very high95.1Very high0 Ų031 Ų310%014%0.143CC..  trans-68.6139.2166.830.8-37.8000112A205 F287 E293 D296 D348A205-P284 HydrophobicContact CB-CG 4.45Å; A205-P284 WeakPolarHBondContact CB-O 3.19Å; P284-F287 HydrophobicContact CB-CD2 3.64Å; P284-F287 HydrophobicContact CB-CE2 3.65Å; P284-F287 HydrophobicContact CG-CD2 3.38Å; P284-F287 HydrophobicContact CG-CE2 3.42Å; P284-F287 VanDerWaalsContact CG-CE2 3.42Å; P284-E293 HydrophobicContact CG-CB 4.42Å; P284-D296 WeakPolarHBondContact CB-OD2 3.47Å; P284-D296 HydrophobicContact CG-CB 3.9Å; P284-D296 WeakPolarHBondContact CG-OD2 3.23Å; P284-D348 WeakPolarHBondContact CB-OD2 3.25Å
285N97.4Very high95Very high1 Ų131.9 Ų31.91%0.00515%0.148CC..SBendtrans-89-12.1175-59.1-46.5000113N203 M206 N209 F287 W288 D348 G349 N352 A377N203-N285 PolarHBondContact ND2-O 2.94Å; M206-N285 HydrophobicContact CB-CB 4.37Å; M206-N285 HydrophobicContact CG-CB 4.13Å; M206-N285 WeakPolarHBondContact CG-OD1 3.19Å; M206-N285 HydrophobicContact SD-CB 4.32Å; N209-N285 PolarHBondContact ND2-OD1 2.8Å; N285-F287 PolarHBondContact O-N 3.12Å; N285-W288 PolarHBondContact O-NE1 3.42Å; N285-D348 WeakPolarHBondContact CA-OD1 3.43Å; N285-D348 VanDerWaalsContact CB-OD1 3.29Å; N285-D348 WeakPolarHBondContact CB-OD1 3.24Å; N285-D348 PolarHBondContact N-OD1 2.86Å; N285-D348 PolarHBondContact N-OD2 3.44Å; N285-G349 PolarHBondContact ND2-O 3.43Å; N285-N352 PolarHBondContact ND2-OD1 2.89Å; N285-A377 HydrophobicContact CB-CB 3.46Å; N285-A377 VanDerWaalsContact CB-CB 3.46Å
286A94.9Very high94.9Very high24 Ų2425 Ų2520%0.19812%0.116CC..  trans-81.5-2.5-171.700000116W288 L337 D348A286-W288 PolarHBondContact O-N 3.14Å; A286-L337 HydrophobicContact CB-CD1 3.74Å; A286-L337 HydrophobicContact CB-CD2 4.47Å; A286-L337 WeakPolarHBondContact O-CD1 3.37Å; A286-D348 WeakPolarHBondContact CB-OD2 3.49Å; A286-D348 PolarHBondContact N-OD2 3.24Å
287F93.6Very high94.9Very high2 Ų223.9 Ų23.91%0.00911%0.111CC..  trans-88.793.7-178-72.4-99.7000111.8N203 P284 N285 G292 E293 D296 F331 R334 L337 L338N203-F287 VanDerWaalsContact CG-O 3.28Å; N203-F287 PolarHBondContact OD1-O 2.65Å; P284-F287 HydrophobicContact CB-CD2 3.64Å; P284-F287 HydrophobicContact CB-CE2 3.65Å; P284-F287 HydrophobicContact CG-CD2 3.38Å; P284-F287 HydrophobicContact CG-CE2 3.42Å; P284-F287 VanDerWaalsContact CG-CE2 3.42Å; N285-F287 PolarHBondContact O-N 3.12Å; F287-G292 VanDerWaalsContact CE1-O 3.26Å; F287-G292 WeakPolarHBondContact CE1-O 3.24Å; F287-G292 WeakPolarHBondContact CZ-O 3.46Å; F287-E293 HydrophobicContact CB-CB 3.78Å; F287-E293 HydrophobicContact CD1-CB 4.11Å; F287-E293 HydrophobicContact CD2-CB 4.05Å; F287-E293 HydrophobicContact CG-CB 3.73Å; F287-D296 HydrophobicContact CE2-CB 3.82Å; F287-D296 HydrophobicContact CZ-CB 3.84Å; F287-F331 HydrophobicContact CD1-CD1 4.25Å; F287-R334 HydrophobicContact CD1-CB 4.24Å; F287-R334 HydrophobicContact CE1-CB 3.92Å; F287-L337 HydrophobicContact CD1-CD1 4.12Å; F287-L337 HydrophobicContact CD2-CD1 3.87Å; F287-L337 HydrophobicContact CE1-CB 4Å; F287-L337 HydrophobicContact CE1-CD1 4.12Å; F287-L337 HydrophobicContact CE2-CB 4.04Å; F287-L337 HydrophobicContact CE2-CD1 3.9Å; F287-L337 HydrophobicContact CG-CD1 4Å; F287-L337 HydrophobicContact CZ-CB 3.59Å; F287-L337 HydrophobicContact CZ-CD1 4.02Å; F287-L337 HydrophobicContact CZ-CG 4.47Å; F287-L338 HydrophobicContact CE1-CG 4.44Å; F287-L338 HydrophobicContact CZ-CD2 4.38Å; F287-L338 HydrophobicContact CZ-CG 4.28Å
288W92.6Very high94.9Very high30 Ų3025.4 Ų25.411%0.11412%0.116CC..  trans-100.2104.2179.2-68.988.2000111.3Q200 P201 N203 M206 N285 A286 F331 L372 M373 P374Q200-W288 HydrophobicContact CB-CE3 4.16Å; Q200-W288 HydrophobicContact CB-CZ3 3.71Å; Q200-W288 HydrophobicContact CG-CZ3 4.45Å; P201-W288 HydrophobicContact CB-CB 4.27Å; P201-W288 VanDerWaalsContact O-CE3 3.25Å; N203-W288 HydrophobicContact CB-CD2 4.16Å; N203-W288 HydrophobicContact CB-CE3 3.9Å; N203-W288 HydrophobicContact CB-CH2 4.2Å; N203-W288 HydrophobicContact CB-CZ2 4.45Å; N203-W288 HydrophobicContact CB-CZ3 3.92Å; N203-W288 WeakPolarHBondContact ND2-CZ2 3.44Å; N203-W288 PolarHBondContact ND2-NE1 2.96Å; M206-W288 HydrophobicContact SD-CH2 4.17Å; M206-W288 HydrophobicContact SD-CZ2 3.81Å; N285-W288 PolarHBondContact O-NE1 3.42Å; A286-W288 PolarHBondContact O-N 3.14Å; W288-F331 VanDerWaalsContact O-CD2 3.25Å; W288-F331 WeakPolarHBondContact O-CD2 3.5Å; W288-F331 WeakPolarHBondContact O-CG 3.28Å; W288-L372 HydrophobicContact CH2-CB 3.72Å; W288-L372 HydrophobicContact CZ3-CB 4.36Å; W288-M373 VanDerWaalsContact CH2-C 3.45Å; W288-M373 WeakPolarHBondContact CZ2-O 3.4Å; W288-P374 HydrophobicContact CD2-CG 4.06Å; W288-P374 HydrophobicContact CG-CG 4.44Å; W288-P374 HydrophobicContact CZ2-CB 4.36Å; W288-P374 HydrophobicContact CZ2-CG 4.04Å; W288-P374 VanDerWaalsContact CZ2-N 3.27Å
289G87.4Confident94.8Very high12 Ų1220.6 Ų20.612%0.12410%0.101CC..SBendtrans110-164-173.800000112.5F202F202-G289 PolarHBondContact O-N 3.14Å
290W82.2Confident94.8Very high79 Ų7914.7 Ų14.730%0.2998%0.075SC..BIsolated β-bridgetrans-86.4121-169.6-173.183.4000113.7F44 E328 V329 Q330 F331F44-W290 HydrophobicContact CB-CH2 3.84Å; F44-W290 AromaticContact CD2-CH2 3.59Å; F44-W290 HydrophobicContact CD2-CH2 3.59Å; F44-W290 HydrophobicContact CD2-CZ2 4.38Å; F44-W290 HydrophobicContact CD2-CZ3 4.46Å; F44-W290 HydrophobicContact CE2-CH2 4.38Å; F44-W290 AromaticContact CG-CH2 3.9Å; F44-W290 HydrophobicContact CG-CH2 3.9Å; W290-E328 HydrophobicContact CB-CB 4.15Å; W290-V329 PolarHBondContact N-O 3.02Å; W290-V329 VanDerWaalsContact N-O 3.09Å; W290-Q330 HydrophobicContact CE3-CB 4.17Å; W290-Q330 HydrophobicContact CE3-CG 4.13Å; W290-Q330 HydrophobicContact CZ3-CG 4.44Å; W290-F331 PolarHBondContact O-N 2.87Å
291G84.4Confident94.8Very high6 Ų614.8 Ų14.86%0.0628%0.076CC..SBendtrans98.5147.8154.600000117E293 R334G291-E293 WeakPolarHBondContact CA-OE2 3.41Å; G291-R334 WeakPolarHBondContact O-CB 3.46Å; G291-R334 WeakPolarHBondContact O-CD 3.45Å
292G89.4Confident94.7Very high1 Ų118.8 Ų18.81%0.019%0.093CC..SBendtrans97.6-8.1174.200000113.9F287 D296 L338F287-G292 VanDerWaalsContact CE1-O 3.26Å; F287-G292 WeakPolarHBondContact CE1-O 3.24Å; F287-G292 WeakPolarHBondContact CZ-O 3.46Å; G292-D296 PolarHBondContact O-N 2.85Å; G292-D296 VanDerWaalsContact O-N 3.1Å; G292-L338 WeakPolarHBondContact O-CD2 3.23Å
293E95.9Very high94.7Very high16 Ų1623.3 Ų23.38%0.07511%0.111CC..Hα-helixtrans-75.1-31.2177.681.5-66170.700112.8R204 A205 P284 F287 G291 D296 L297R204-E293 WeakPolarHBondContact CD-OE1 3.47Å; R204-E293 IonicContact CZ-OE1 2.7Å; R204-E293 IonicContact NE-OE1 3.92Å; R204-E293 IonicContact NH1-OE1 3.75Å; R204-E293 PolarHBondContact NH1-OE1 2.8Å; A205-E293 HydrophobicContact CB-CB 3.79Å; A205-E293 HydrophobicContact CB-CG 3.85Å; P284-E293 HydrophobicContact CG-CB 4.42Å; F287-E293 HydrophobicContact CB-CB 3.78Å; F287-E293 HydrophobicContact CD1-CB 4.11Å; F287-E293 HydrophobicContact CD2-CB 4.05Å; F287-E293 HydrophobicContact CG-CB 3.73Å; G291-E293 WeakPolarHBondContact CA-OE2 3.41Å; E293-D296 PolarHBondContact O-N 3.29Å; E293-L297 PolarHBondContact O-N 3.35Å
294D95.9Very high94.6Very high13 Ų1324.3 Ų24.37%0.0712%0.12CC..Hα-helixtrans-72.9-37.5173.758.9-38.2000111.9G267 D296 L297 W298G267-D294 WeakPolarHBondContact CA-OD2 3.12Å; G267-D294 PolarHBondContact N-OD2 2.77Å; D294-D296 VanDerWaalsContact C-N 3.34Å; D294-L297 WeakPolarHBondContact O-CB 3.4Å; D294-L297 PolarHBondContact O-N 3.45Å; D294-W298 PolarHBondContact O-N 3.21Å
295D95.8Very high94.6Very high30 Ų3027.4 Ų27.416%0.1615%0.152CC..Hα-helixtrans-62-40.9169.6-70-39000111.6Y262 W298 N299 L338Y262-D295 VanDerWaalsContact CE2-OD1 3.26Å; Y262-D295 WeakPolarHBondContact CE2-OD1 3.47Å; Y262-D295 PolarHBondContact OH-OD1 2.91Å; Y262-D295 PolarHBondContact OH-OD2 2.9Å; D295-W298 WeakPolarHBondContact O-CB 3.39Å; D295-W298 PolarHBondContact O-N 3.07Å; D295-N299 PolarHBondContact O-N 3.32Å; D295-N299 PolarHBondContact O-ND2 2.85Å; D295-L338 HydrophobicContact CB-CD1 4.24Å; D295-L338 HydrophobicContact CB-CD2 3.64Å
296D97.7Very high94.6Very high0 Ų029.4 Ų29.40%016%0.16CC..Hα-helixtrans-66.7-40.4175.7-163.487.9000110.9P284 F287 G292 E293 D294 W298 N299 R300 L338 S341 R344P284-D296 WeakPolarHBondContact CB-OD2 3.47Å; P284-D296 HydrophobicContact CG-CB 3.9Å; P284-D296 WeakPolarHBondContact CG-OD2 3.23Å; F287-D296 HydrophobicContact CE2-CB 3.82Å; F287-D296 HydrophobicContact CZ-CB 3.84Å; G292-D296 PolarHBondContact O-N 2.85Å; G292-D296 VanDerWaalsContact O-N 3.1Å; E293-D296 PolarHBondContact O-N 3.29Å; D294-D296 VanDerWaalsContact C-N 3.34Å; D296-W298 VanDerWaalsContact C-N 3.35Å; D296-W298 PolarHBondContact O-N 2.95Å; D296-N299 WeakPolarHBondContact O-CB 3.13Å; D296-N299 PolarHBondContact O-N 2.89Å; D296-R300 VanDerWaalsContact O-CG 3.26Å; D296-R300 WeakPolarHBondContact O-CG 3.47Å; D296-R300 PolarHBondContact O-N 2.89Å; D296-R300 IonicContact OD2-CZ 3.2Å; D296-R300 IonicContact OD2-NE 2.8Å; D296-R300 PolarHBondContact OD2-NE 3.38Å; D296-R300 IonicContact OD2-NH2 3.95Å; D296-R300 PolarHBondContact OD2-NH2 3.17Å; D296-L338 HydrophobicContact CB-CD2 3.95Å; D296-S341 WeakPolarHBondContact OD1-CA 3.42Å; D296-S341 WeakPolarHBondContact OD1-CB 3.17Å; D296-S341 PolarHBondContact OD1-OG 3.09Å; D296-R344 IonicContact OD1-NH2 3.58Å; D296-R344 PolarHBondContact OD1-NH2 2.94Å; D296-R344 VanDerWaalsContact OD1-NH2 3.11Å
297L98.3Very high94.7Very high0 Ų034.4 Ų34.40%018%0.183CC..Hα-helixtrans-58.8-44.7172.5-175.172.2000111.8F266 L272 I280 F283 E293 D294 N299 R300 V301F266-L297 HydrophobicContact CD1-CB 4.29Å; F266-L297 HydrophobicContact CD1-CD2 3.56Å; F266-L297 HydrophobicContact CD1-CG 3.87Å; F266-L297 HydrophobicContact CE1-CD2 3.5Å; F266-L297 HydrophobicContact CE1-CG 3.87Å; F266-L297 HydrophobicContact CZ-CD2 4.49Å; L272-L297 HydrophobicContact CD1-CD2 4.34Å; I280-L297 HydrophobicContact CD1-CD1 3.64Å; F283-L297 HydrophobicContact CD1-CB 4.08Å; F283-L297 HydrophobicContact CD1-CD1 4.03Å; F283-L297 HydrophobicContact CD1-CD2 4.29Å; F283-L297 HydrophobicContact CD1-CG 4.35Å; F283-L297 HydrophobicContact CD2-CD1 4.28Å; F283-L297 HydrophobicContact CE1-CB 3.78Å; F283-L297 HydrophobicContact CE1-CD1 3.95Å; F283-L297 HydrophobicContact CE1-CD2 3.39Å; F283-L297 HydrophobicContact CE1-CG 3.89Å; F283-L297 HydrophobicContact CE2-CD1 4.15Å; F283-L297 HydrophobicContact CE2-CD2 4.01Å; F283-L297 HydrophobicContact CG-CD1 4.2Å; F283-L297 HydrophobicContact CZ-CB 4.46Å; F283-L297 HydrophobicContact CZ-CD1 4.01Å; F283-L297 HydrophobicContact CZ-CD2 3.21Å; F283-L297 HydrophobicContact CZ-CG 4.07Å; E293-L297 PolarHBondContact O-N 3.35Å; D294-L297 WeakPolarHBondContact O-CB 3.4Å; D294-L297 PolarHBondContact O-N 3.45Å; L297-N299 VanDerWaalsContact C-N 3.33Å; L297-N299 PolarHBondContact O-N 2.9Å; L297-R300 PolarHBondContact O-N 2.88Å; L297-V301 WeakPolarHBondContact O-CB 3.34Å; L297-V301 WeakPolarHBondContact O-CG2 3.3Å; L297-V301 PolarHBondContact O-N 3.45Å
298W97.9Very high94.9Very high31 Ų3135.4 Ų35.412%0.11719%0.189CC..Hα-helixtrans-57-46.9175.4176-84.1000111.5K263 E264 F266 D294 D295 D296 V301 H302 V308 R310K263-W298 WeakPolarHBondContact O-CH2 3.33Å; E264-W298 HydrophobicContact CB-CD2 4.15Å; E264-W298 HydrophobicContact CB-CG 4.07Å; F266-W298 HydrophobicContact CB-CB 4.17Å; F266-W298 HydrophobicContact CB-CE3 4.02Å; F266-W298 HydrophobicContact CD1-CB 4.38Å; F266-W298 HydrophobicContact CG-CE3 4.16Å; D294-W298 PolarHBondContact O-N 3.21Å; D295-W298 WeakPolarHBondContact O-CB 3.39Å; D295-W298 PolarHBondContact O-N 3.07Å; D296-W298 VanDerWaalsContact C-N 3.35Å; D296-W298 PolarHBondContact O-N 2.95Å; W298-V301 PolarHBondContact O-N 3.11Å; W298-H302 WeakPolarHBondContact O-CB 3.42Å; W298-H302 PolarHBondContact O-N 3.31Å; W298-V308 HydrophobicContact CD2-CG2 4.29Å; W298-V308 HydrophobicContact CE3-CB 3.94Å; W298-V308 HydrophobicContact CE3-CG1 4.25Å; W298-V308 HydrophobicContact CE3-CG2 3.54Å; W298-V308 HydrophobicContact CH2-CB 3.76Å; W298-V308 HydrophobicContact CH2-CG1 4.41Å; W298-V308 HydrophobicContact CH2-CG2 4.11Å; W298-V308 HydrophobicContact CZ3-CB 3.3Å; W298-V308 HydrophobicContact CZ3-CG1 3.6Å; W298-V308 HydrophobicContact CZ3-CG2 3.47Å; W298-V308 VanDerWaalsContact CZ3-CG2 3.47Å; W298-R310 VanDerWaalsContact CZ3-NH2 3.28Å
299N97.8Very high95.1Very high39 Ų3936 Ų3621%0.20920%0.196CC..Hα-helixtrans-60.2-47.5177.4-71.9-30.4000111.7D295 D296 L297 V301 H302 Y303D295-N299 PolarHBondContact O-N 3.32Å; D295-N299 PolarHBondContact O-ND2 2.85Å; D296-N299 WeakPolarHBondContact O-CB 3.13Å; D296-N299 PolarHBondContact O-N 2.89Å; L297-N299 VanDerWaalsContact C-N 3.33Å; L297-N299 PolarHBondContact O-N 2.9Å; N299-V301 VanDerWaalsContact C-N 3.32Å; N299-V301 PolarHBondContact O-N 3.39Å; N299-H302 PolarHBondContact O-N 3.44Å; N299-H302 VanDerWaalsContact O-N 3.14Å; N299-Y303 HydrophobicContact CB-CD2 4.39Å; N299-Y303 HydrophobicContact CB-CE2 3.7Å; N299-Y303 WeakPolarHBondContact O-CD2 3.41Å; N299-Y303 PolarHBondContact O-N 2.79Å
300R98.3Very high95.6Very high0 Ų038.7 Ų38.70%020%0.203CC..Hα-helixtrans-58.5-42.3178.1-71.3179.2-177.1-122.1-8.5112.8I280 G282 D296 L297 A304 Q345 D348I280-R300 HydrophobicContact CB-CB 4.25Å; I280-R300 HydrophobicContact CD1-CB 4.37Å; G282-R300 WeakPolarHBondContact O-CD 3.21Å; G282-R300 PolarHBondContact O-NH1 3.37Å; D296-R300 VanDerWaalsContact O-CG 3.26Å; D296-R300 WeakPolarHBondContact O-CG 3.47Å; D296-R300 PolarHBondContact O-N 2.89Å; D296-R300 IonicContact OD2-CZ 3.2Å; D296-R300 IonicContact OD2-NE 2.8Å; D296-R300 PolarHBondContact OD2-NE 3.38Å; D296-R300 IonicContact OD2-NH2 3.95Å; D296-R300 PolarHBondContact OD2-NH2 3.17Å; L297-R300 PolarHBondContact O-N 2.88Å; R300-A304 PolarHBondContact O-N 3.23Å; R300-Q345 HydrophobicContact CB-CG 4.45Å; R300-Q345 HydrophobicContact CG-CB 4.26Å; R300-Q345 HydrophobicContact CG-CG 3.82Å; R300-Q345 PolarHBondContact O-NE2 3.33Å; R300-D348 VanDerWaalsContact CZ-O 3.25Å; R300-D348 PolarHBondContact NH1-O 2.89Å; R300-D348 PolarHBondContact NH2-O 2.91Å
301V98.1Very high96.2Very high1 Ų135.6 Ų35.61%0.00619%0.192CC..Hα-helixtrans-61-47.6174.8163.50000110.6P246 F266 L272 I280 L297 W298 N299 A304 Y306 V308P246-V301 HydrophobicContact CB-CG1 4.04Å; P246-V301 HydrophobicContact CB-CG2 4.38Å; P246-V301 HydrophobicContact CG-CG1 3.79Å; P246-V301 HydrophobicContact CG-CG2 4.28Å; F266-V301 HydrophobicContact CE1-CG2 4.19Å; L272-V301 HydrophobicContact CD2-CG2 3.88Å; I280-V301 HydrophobicContact CD1-CG2 4.04Å; L297-V301 WeakPolarHBondContact O-CB 3.34Å; L297-V301 WeakPolarHBondContact O-CG2 3.3Å; L297-V301 PolarHBondContact O-N 3.45Å; W298-V301 PolarHBondContact O-N 3.11Å; N299-V301 VanDerWaalsContact C-N 3.32Å; N299-V301 PolarHBondContact O-N 3.39Å; V301-A304 PolarHBondContact O-N 3.42Å; V301-Y306 PolarHBondContact O-N 3.21Å; V301-Y306 VanDerWaalsContact O-N 3.17Å; V301-V308 HydrophobicContact CG1-CG2 3.79Å
302H97.6Very high96.5Very high108 Ų10843.1 Ų43.150%0.523%0.226SC..Hα-helixtrans-65.9-41.7179.9-169.361.6000112.5W298 N299 A304 G305W298-H302 WeakPolarHBondContact O-CB 3.42Å; W298-H302 PolarHBondContact O-N 3.31Å; N299-H302 PolarHBondContact O-N 3.44Å; N299-H302 VanDerWaalsContact O-N 3.14Å; H302-A304 PolarHBondContact O-N 3.35Å; H302-G305 PolarHBondContact O-N 2.9Å
303Y97.2Very high96.6Very high95 Ų9545.3 Ų45.337%0.37325%0.249SC..Hα-helixtrans-63.1-28.5176.6-60.1-30000113N299 G305 K342N299-Y303 HydrophobicContact CB-CD2 4.39Å; N299-Y303 HydrophobicContact CB-CE2 3.7Å; N299-Y303 WeakPolarHBondContact O-CD2 3.41Å; N299-Y303 PolarHBondContact O-N 2.79Å; Y303-G305 PolarHBondContact O-N 2.84Å; Y303-K342 HydrophobicContact CD1-CD 4.46Å; Y303-K342 HydrophobicContact CD2-CB 3.89Å; Y303-K342 HydrophobicContact CD2-CG 3.91Å; Y303-K342 HydrophobicContact CE1-CD 4.43Å; Y303-K342 VanDerWaalsContact CE2-CA 3.47Å; Y303-K342 HydrophobicContact CE2-CB 3.45Å; Y303-K342 VanDerWaalsContact CE2-CB 3.45Å; Y303-K342 HydrophobicContact CE2-CG 3.97Å; Y303-K342 HydrophobicContact CG-CG 4.23Å
304A97.1Very high96.4Very high22 Ų2248.7 Ų48.718%0.18227%0.267CS..THydrogen-bonded Turntrans-81.43.5174.400000114.3K279 I280 R300 V301 H302 Y306K279-A304 HydrophobicContact CD-CB 4.47Å; K279-A304 PolarHBondContact NZ-O 3.22Å; I280-A304 HydrophobicContact CG2-CB 3.64Å; R300-A304 PolarHBondContact O-N 3.23Å; V301-A304 PolarHBondContact O-N 3.42Å; H302-A304 PolarHBondContact O-N 3.35Å; A304-Y306 HydrophobicContact CB-CD2 3.82Å; A304-Y306 HydrophobicContact CB-CE2 3.88Å
305G97.3Very high96.3Very high65 Ų6550.6 Ų50.667%0.6728%0.277SS*.THydrogen-bonded Turntrans83.216.3176.700000114.4H302 Y303H302-G305 PolarHBondContact O-N 2.9Å; Y303-G305 PolarHBondContact O-N 2.84Å
306Y97.9Very high96.3Very high44 Ų4449.2 Ų49.217%0.17327%0.27CS..  trans-96.6150.3179-60.4-53.8000111.7P246 Q276 K279 V301 A304P246-Y306 HydrophobicContact CG-CD2 4.47Å; P246-Y306 HydrophobicContact CG-CG 4.32Å; Q276-Y306 HydrophobicContact CB-CE2 4.1Å; Q276-Y306 HydrophobicContact CG-CD2 4.32Å; Q276-Y306 HydrophobicContact CG-CE1 4.1Å; Q276-Y306 HydrophobicContact CG-CE2 3.77Å; K279-Y306 HydrophobicContact CD-CE2 3.84Å; K279-Y306 WeakPolarHBondContact CD-OH 3.45Å; K279-Y306 PolarHBondContact NZ-OH 2.82Å; V301-Y306 PolarHBondContact O-N 3.21Å; V301-Y306 VanDerWaalsContact O-N 3.17Å; A304-Y306 HydrophobicContact CB-CD2 3.82Å; A304-Y306 HydrophobicContact CB-CE2 3.88Å
307N96.1Very high96.3Very high128 Ų12851.7 Ų51.768%0.68428%0.28SS*.  trans-108.3135.8171.6-70.9-29.2000109.3
308V97.7Very high96.3Very high24 Ų2451.7 Ų51.715%0.14528%0.28CS..  trans-81128.5176.2176.40000110P246 H248 F266 W298 V301P246-V308 HydrophobicContact CB-CG2 4.42Å; P246-V308 WeakPolarHBondContact O-CA 3.36Å; H248-V308 HydrophobicContact CB-CG1 3.85Å; F266-V308 HydrophobicContact CD2-CG1 3.95Å; F266-V308 HydrophobicContact CE1-CG2 4.27Å; F266-V308 HydrophobicContact CE2-CG1 3.62Å; F266-V308 HydrophobicContact CE2-CG2 4.25Å; F266-V308 HydrophobicContact CZ-CG1 4.22Å; F266-V308 HydrophobicContact CZ-CG2 4.1Å; W298-V308 HydrophobicContact CD2-CG2 4.29Å; W298-V308 HydrophobicContact CE3-CB 3.94Å; W298-V308 HydrophobicContact CE3-CG1 4.25Å; W298-V308 HydrophobicContact CE3-CG2 3.54Å; W298-V308 HydrophobicContact CH2-CB 3.76Å; W298-V308 HydrophobicContact CH2-CG1 4.41Å; W298-V308 HydrophobicContact CH2-CG2 4.11Å; W298-V308 HydrophobicContact CZ3-CB 3.3Å; W298-V308 HydrophobicContact CZ3-CG1 3.6Å; W298-V308 HydrophobicContact CZ3-CG2 3.47Å; W298-V308 VanDerWaalsContact CZ3-CG2 3.47Å; V301-V308 HydrophobicContact CG1-CG2 3.79Å
309T98Very high96.2Very high43 Ų4353.5 Ų53.526%0.26429%0.289SS..BIsolated β-bridgetrans-94.9157.5173.572.80000111E244 P246 H248E244-T309 HydrophobicContact CB-CG2 4.01Å; E244-T309 WeakPolarHBondContact O-CB 3.45Å; E244-T309 WeakPolarHBondContact O-CG2 3.41Å; E244-T309 PolarHBondContact O-OG1 3.31Å; P246-T309 PolarHBondContact O-N 3.19Å; H248-T309 PolarHBondContact N-O 3.24Å
310R97.4Very high95.9Very high68 Ų6852.1 Ų52.126%0.25728%0.283SS..  trans-137.9143.9178-79.5174.3-174.8121.5-3.8109.6H248 A251 K263 F265 W298H248-R310 HydrophobicContact CB-CG 3.77Å; H248-R310 PolarHBondContact ND1-NE 3.07Å; H248-R310 VanDerWaalsContact ND1-NE 3.19Å; A251-R310 HydrophobicContact CB-CB 4.31Å; A251-R310 HydrophobicContact CB-CG 4.15Å; K263-R310 VanDerWaalsContact O-CZ 3.28Å; K263-R310 PolarHBondContact O-NH1 3.46Å; K263-R310 PolarHBondContact O-NH2 2.83Å; F265-R310 PolarHBondContact O-NH2 3.39Å; W298-R310 VanDerWaalsContact CZ3-NH2 3.28Å
311P95.1Very high95.6Very high13 Ų1352.4 Ų52.48%0.08428%0.284CS..  trans-65.3142.217329.5-35.5000110.9H248 A251 L315H248-P311 WeakPolarHBondContact O-CD 3.42Å; A251-P311 HydrophobicContact CB-CG 4.46Å; P311-L315 HydrophobicContact CB-CB 3.82Å
312E90.5Very high94.8Very high164 Ų16456.1 Ų56.177%0.76631%0.308SS*.  trans-76.5153.5-178.4-63.7-174.9168.800112.9D314 L315E312-D314 PolarHBondContact O-N 3.2Å; E312-L315 VanDerWaalsContact O-CB 3.32Å; E312-L315 WeakPolarHBondContact O-CB 3.26Å; E312-L315 WeakPolarHBondContact O-CG 3.4Å; E312-L315 PolarHBondContact O-N 2.72Å; E312-L315 VanDerWaalsContact O-N 3.15Å
313G90.6Very high93.5Very high47 Ų4754.4 Ų54.449%0.48530%0.3SS..THydrogen-bonded Turntrans55-126169.100000113.1K252K252-G313 VanDerWaalsContact CE-O 3.3Å; K252-G313 WeakPolarHBondContact CE-O 3.26Å; K252-G313 PolarHBondContact NZ-O 2.8Å
314D92.6Very high91.2Very high88 Ų8856 Ų5647%0.47131%0.311SS..THydrogen-bonded Turntrans-90.5-2.5-175.1-77.60.2000113.8E312 G316 K317E312-D314 PolarHBondContact O-N 3.2Å; D314-G316 VanDerWaalsContact C-N 3.26Å; D314-G316 PolarHBondContact O-N 2.93Å; D314-K317 HydrophobicContact CB-CD 4.02Å; D314-K317 HydrophobicContact CB-CG 4.48Å; D314-K317 VanDerWaalsContact CG-CE 3.42Å; D314-K317 WeakPolarHBondContact O-CB 3.35Å; D314-K317 PolarHBondContact O-N 2.93Å; D314-K317 WeakPolarHBondContact OD1-CE 3.19Å; D314-K317 IonicContact OD1-NZ 3.65Å; D314-K317 PolarHBondContact OD1-NZ 3.44Å; D314-K317 IonicContact OD2-NZ 2.77Å; D314-K317 PolarHBondContact OD2-NZ 3.16Å
315L94.4Very high88.9Confident53 Ų5358.9 Ų58.928%0.27732%0.32SS..THydrogen-bonded Turntrans-63.8-34.8177.5-62.8178.9000111.5R237 N238 P311 E312 K317R237-L315 HydrophobicContact CB-CD2 3.71Å; N238-L315 VanDerWaalsContact CB-O 3.31Å; N238-L315 WeakPolarHBondContact CB-O 3.31Å; N238-L315 PolarHBondContact ND2-O 2.83Å; P311-L315 HydrophobicContact CB-CB 3.82Å; E312-L315 VanDerWaalsContact O-CB 3.32Å; E312-L315 WeakPolarHBondContact O-CB 3.26Å; E312-L315 WeakPolarHBondContact O-CG 3.4Å; E312-L315 PolarHBondContact O-N 2.72Å; E312-L315 VanDerWaalsContact O-N 3.15Å; L315-K317 VanDerWaalsContact C-N 3.26Å; L315-K317 PolarHBondContact O-N 3.22Å
316G95.6Very high86.8Confident0 Ų064.1 Ų64.10%032%0.32CS..THydrogen-bonded Turntrans-82.812.7179.400000115.7A251 K252 D314 Y318A251-G316 PolarHBondContact N-O 3.22Å; K252-G316 WeakPolarHBondContact CA-O 3.49Å; K252-G316 WeakPolarHBondContact CB-O 3.41Å; K252-G316 PolarHBondContact N-O 2.94Å; D314-G316 VanDerWaalsContact C-N 3.26Å; D314-G316 PolarHBondContact O-N 2.93Å; G316-Y318 WeakPolarHBondContact O-CD2 3.23Å
317K97.2Very high84.9Confident52 Ų5263.5 Ų63.523%0.22633%0.327CS..EExtended strand (participates in β ladder)trans-80.1132-179.2-74.8-176.8169.8166.30111.9E234 K252 Y258 D314 L315E234-K317 HydrophobicContact CB-CB 4.19Å; E234-K317 WeakPolarHBondContact CB-O 3.39Å; E234-K317 PolarHBondContact N-O 3.48Å; E234-K317 WeakPolarHBondContact OE2-CB 3.28Å; K252-K317 HydrophobicContact CB-CG 4.13Å; K252-K317 HydrophobicContact CD-CG 4.23Å; K252-K317 CarbonylContact O-C 3.44Å; K252-K317 VanDerWaalsContact O-CA 3.31Å; K252-K317 WeakPolarHBondContact O-CA 3.29Å; Y258-K317 HydrophobicContact CD1-CB 4.06Å; Y258-K317 HydrophobicContact CD1-CD 4.12Å; Y258-K317 HydrophobicContact CD1-CG 3.73Å; Y258-K317 HydrophobicContact CE1-CB 4.02Å; Y258-K317 HydrophobicContact CE1-CD 4.26Å; Y258-K317 HydrophobicContact CE1-CG 4.1Å; Y258-K317 HydrophobicContact CG-CG 4.49Å; D314-K317 HydrophobicContact CB-CD 4.02Å; D314-K317 HydrophobicContact CB-CG 4.48Å; D314-K317 VanDerWaalsContact CG-CE 3.42Å; D314-K317 WeakPolarHBondContact O-CB 3.35Å; D314-K317 PolarHBondContact O-N 2.93Å; D314-K317 WeakPolarHBondContact OD1-CE 3.19Å; D314-K317 IonicContact OD1-NZ 3.65Å; D314-K317 PolarHBondContact OD1-NZ 3.44Å; D314-K317 IonicContact OD2-NZ 2.77Å; D314-K317 PolarHBondContact OD2-NZ 3.16Å; L315-K317 VanDerWaalsContact C-N 3.26Å; L315-K317 PolarHBondContact O-N 3.22Å
318Y97.4Very high83.6Confident0 Ų060.8 Ų60.80%031%0.31CS..EExtended strand (participates in β ladder)trans-132.6140-179.4-81.7-111.4000110.7H231 L232 P233 N238 Y240 F249 A250 K252 L253 D254 V269 G316H231-Y318 HydrophobicContact CB-CD1 4.08Å; H231-Y318 WeakPolarHBondContact O-CD1 3.09Å; L232-Y318 VanDerWaalsContact C-CD1 3.43Å; L232-Y318 CarbonylContact O-C 3.59Å; L232-Y318 VanDerWaalsContact O-CA 3.25Å; L232-Y318 WeakPolarHBondContact O-CA 3.4Å; P233-Y318 HydrophobicContact CB-CD1 4.36Å; P233-Y318 HydrophobicContact CB-CE1 3.81Å; P233-Y318 HydrophobicContact CB-CE2 4.33Å; P233-Y318 HydrophobicContact CG-CE1 4.34Å; N238-Y318 WeakPolarHBondContact ND2-CE2 3.1Å; N238-Y318 PolarHBondContact ND2-OH 2.98Å; N238-Y318 VanDerWaalsContact ND2-OH 3.1Å; Y240-Y318 WeakPolarHBondContact CE1-OH 3.26Å; Y240-Y318 VanDerWaalsContact CZ-OH 3.31Å; Y240-Y318 WeakPolarHBondContact OH-CE1 3.29Å; Y240-Y318 PolarHBondContact OH-OH 2.8Å; F249-Y318 HydrophobicContact CB-CE2 4.47Å; F249-Y318 WeakPolarHBondContact CB-OH 3.25Å; F249-Y318 VanDerWaalsContact O-CE2 3.23Å; F249-Y318 WeakPolarHBondContact O-CE2 3.19Å; A250-Y318 HydrophobicContact CB-CD1 4.22Å; A250-Y318 HydrophobicContact CB-CD2 3.94Å; A250-Y318 HydrophobicContact CB-CE1 4.41Å; A250-Y318 HydrophobicContact CB-CE2 4.15Å; A250-Y318 HydrophobicContact CB-CG 3.99Å; K252-Y318 PolarHBondContact O-N 3.32Å; L253-Y318 HydrophobicContact CD2-CG 4.48Å; D254-Y318 PolarHBondContact N-O 3.1Å; V269-Y318 HydrophobicContact CB-CE1 4.32Å; V269-Y318 HydrophobicContact CG2-CD1 4.28Å; V269-Y318 HydrophobicContact CG2-CE1 3.8Å; G316-Y318 WeakPolarHBondContact O-CD2 3.23Å
319K95.9Very high82.4Confident69 Ų6965.4 Ų65.430%0.334%0.338SS..EExtended strand (participates in β ladder)trans-92.7131.8171.3-167.183.2-172.8-179.70109.4V121 V123 L232 E234 D254V121-K319 HydrophobicContact CB-CB 4.09Å; V121-K319 HydrophobicContact CB-CG 4.3Å; V121-K319 HydrophobicContact CG1-CB 3.83Å; V121-K319 HydrophobicContact CG1-CG 4Å; V121-K319 HydrophobicContact CG2-CB 4.26Å; V123-K319 HydrophobicContact CG1-CG 4.05Å; L232-K319 PolarHBondContact N-O 3.05Å; L232-K319 PolarHBondContact O-N 2.88Å; E234-K319 HydrophobicContact CG-CB 4.11Å; E234-K319 WeakPolarHBondContact OE1-CD 3.36Å; D254-K319 WeakPolarHBondContact OD2-CD 3.44Å; D254-K319 WeakPolarHBondContact OD2-CE 3.46Å; D254-K319 IonicContact OD2-NZ 2.8Å
320S93Very high81.3Confident10 Ų1064.9 Ų64.97%0.0733%0.333CS..EExtended strand (participates in β ladder)trans-94.9128.2174.8-48.50000109.8D230 H231 D254 P322D230-S320 CarbonylContact O-C 3.57Å; D230-S320 VanDerWaalsContact O-CA 3.24Å; D230-S320 WeakPolarHBondContact O-CA 3.48Å; H231-S320 PolarHBondContact CE1-OG 2.51Å; H231-S320 PolarHBondContact ND1-OG 2.78Å; D254-S320 WeakPolarHBondContact OD1-CB 3.42Å; D254-S320 PolarHBondContact OD1-N 3.24Å; D254-S320 PolarHBondContact OD1-OG 3.49Å; D254-S320 PolarHBondContact OD2-N 2.86Å; D254-S320 VanDerWaalsContact OD2-N 3.14Å; S320-P322 WeakPolarHBondContact O-CD 3.27Å
321I91.1Very high80.5Confident7 Ų764.1 Ų64.14%0.03633%0.331CS..PPolyproline II helixtrans-65.5120.3171.4-53.9179.3000107.6V123 H170 I173 D230 L232 H323V123-I321 HydrophobicContact CG1-CG1 4.4Å; H170-I321 HydrophobicContact CB-CD1 4.11Å; I173-I321 HydrophobicContact CB-CD1 3.93Å; I173-I321 HydrophobicContact CD1-CD1 4.3Å; I173-I321 HydrophobicContact CD1-CG2 4.3Å; I173-I321 HydrophobicContact CG2-CD1 3.87Å; I173-I321 HydrophobicContact CG2-CG1 4.49Å; D230-I321 HydrophobicContact CB-CB 4.09Å; D230-I321 HydrophobicContact CB-CG1 4.43Å; D230-I321 PolarHBondContact O-N 3.09Å; L232-I321 HydrophobicContact CD1-CD1 4.04Å; L232-I321 HydrophobicContact CD1-CG1 3.84Å; L232-I321 HydrophobicContact CD2-CD1 4.46Å; L232-I321 HydrophobicContact CG-CD1 4.33Å; L232-I321 HydrophobicContact CG-CG1 4.17Å; I321-H323 PolarHBondContact O-CE1 2.86Å; I321-H323 VanDerWaalsContact O-CE1 3.22Å; I321-H323 PolarHBondContact O-N 2.98Å; I321-H323 PolarHBondContact O-ND1 3.5Å
322P82.3Confident79.7Confident79 Ų7969.9 Ų69.951%0.51336%0.361SS..PPolyproline II helixtrans-56.5132.1179.7-24.134.1000110.9S320S320-P322 WeakPolarHBondContact O-CD 3.27Å
323H69.1Low79.3Confident71 Ų7163.4 Ų63.433%0.32934%0.338SS..PPolyproline II helixtrans-88.9134.6-179.5-56.5-20.1000111.1R167 H170 D230 I321R167-H323 PolarHBondContact NH1-ND1 3.44Å; H170-H323 AromaticContact CE1-CE1 3.96Å; H170-H323 AromaticContact CE1-ND1 3.48Å; H170-H323 PolarHBondContact CE1-ND1 3.39Å; D230-H323 IonicContact OD2-CE1 3.77Å; D230-H323 PolarHBondContact OD2-CE1 2.88Å; D230-H323 IonicContact OD2-ND1 2.68Å; D230-H323 IonicContact OD2-NE2 3.87Å; D230-H323 PolarHBondContact OD2-NE2 3.09Å; I321-H323 PolarHBondContact O-CE1 2.86Å; I321-H323 VanDerWaalsContact O-CE1 3.22Å; I321-H323 PolarHBondContact O-N 2.98Å; I321-H323 PolarHBondContact O-ND1 3.5Å
324H49.9Very low79Confident130 Ų13061.9 Ų61.960%0.60232%0.317SS*.  trans-96.32.6170.2-67.8-59.4000113.9
325H48.1Very low78.8Confident81 Ų8163.8 Ų63.838%0.37532%0.319SS..SBendtrans-115150.8-173-59.9-62.9000113.2E169 G327E169-H325 IonicContact OE1-CD2 2.72Å; E169-H325 PolarHBondContact OE1-CD2 3.29Å; E169-H325 IonicContact OE1-NE2 3.99Å; E169-H325 PolarHBondContact OE1-NE2 3.42Å; H325-G327 PolarHBondContact O-N 2.85Å; H325-G327 VanDerWaalsContact O-N 3.11Å
326R53.9Low78.6Confident176 Ų17667.4 Ų67.466%0.66433%0.332SS*.PPolyproline II helixtrans-47.5117169.9-90.7179.5170.9175.3-4.9109.4E328R326-E328 PolarHBondContact O-N 2.88Å
327G58.1Low78.4Confident31 Ų3168.3 Ų68.332%0.3234%0.337SS..PPolyproline II helixtrans-56.5140165.500000109.7H325H325-G327 PolarHBondContact O-N 2.85Å; H325-G327 VanDerWaalsContact O-N 3.11Å
328E68.6Low78.2Confident71 Ų7167.4 Ų67.433%0.33234%0.335SS..PPolyproline II helixtrans-54.8149.5172-71.5-72.5168.200110.2R165 F202 W290 R326 Q330R165-E328 IonicContact CZ-OE1 2.8Å; R165-E328 IonicContact NH2-OE1 3.38Å; R165-E328 PolarHBondContact NH2-OE1 3.24Å; F202-E328 HydrophobicContact CB-CG 4.07Å; W290-E328 HydrophobicContact CB-CB 4.15Å; R326-E328 PolarHBondContact O-N 2.88Å; E328-Q330 PolarHBondContact O-N 3.45Å
329V70.9Confident77.9Confident121 Ų12176.5 Ų76.573%0.73337%0.369SS*.PPolyproline II helixtrans-64.4137.8179-177.70000109W290 F331W290-V329 PolarHBondContact N-O 3.02Å; W290-V329 VanDerWaalsContact N-O 3.09Å; V329-F331 PolarHBondContact O-N 2.97Å
330Q74.8Confident77.8Confident31 Ų3177.9 Ų77.915%0.14537%0.373CS..BIsolated β-bridgetrans-58.2127.2174.4179.1170.570.500110.1W290 E328 L332 R334W290-Q330 HydrophobicContact CE3-CB 4.17Å; W290-Q330 HydrophobicContact CE3-CG 4.13Å; W290-Q330 HydrophobicContact CZ3-CG 4.44Å; E328-Q330 PolarHBondContact O-N 3.45Å; Q330-L332 PolarHBondContact O-N 3.19Å; Q330-L332 VanDerWaalsContact O-N 3.08Å; Q330-R334 VanDerWaalsContact NE2-NH1 3.11Å
331F81.1Confident77.8Confident52 Ų5277.4 Ų77.423%0.22837%0.37CS..  trans-76.5100.6-179.6179-125.3000110.5F287 W288 W290 V329 G333 R334 L337F287-F331 HydrophobicContact CD1-CD1 4.25Å; W288-F331 VanDerWaalsContact O-CD2 3.25Å; W288-F331 WeakPolarHBondContact O-CD2 3.5Å; W288-F331 WeakPolarHBondContact O-CG 3.28Å; W290-F331 PolarHBondContact O-N 2.87Å; V329-F331 PolarHBondContact O-N 2.97Å; F331-G333 VanDerWaalsContact CE1-C 3.45Å; F331-G333 PolarHBondContact O-N 3.16Å; F331-R334 HydrophobicContact CD1-CB 3.86Å; F331-R334 VanDerWaalsContact CD1-N 3.32Å; F331-R334 VanDerWaalsContact O-CB 3.23Å; F331-R334 WeakPolarHBondContact O-CB 3.24Å; F331-R334 VanDerWaalsContact O-CD 3.28Å; F331-R334 WeakPolarHBondContact O-CD 3.28Å; F331-R334 WeakPolarHBondContact O-CG 3.39Å; F331-R334 PolarHBondContact O-N 2.89Å; F331-R334 VanDerWaalsContact O-N 3.11Å; F331-L337 HydrophobicContact CE1-CD1 3.57Å; F331-L337 HydrophobicContact CE1-CG 4.07Å; F331-L337 HydrophobicContact CZ-CD1 4.29Å
332L78.9Confident78Confident134 Ų13482.3 Ų82.370%0.70239%0.391SS*.THydrogen-bonded Turntrans-62.2-28.6-177.9-65.3178.6000113.1Q330 R334Q330-L332 PolarHBondContact O-N 3.19Å; Q330-L332 VanDerWaalsContact O-N 3.08Å; L332-R334 PolarHBondContact O-N 2.8Å
333G81.9Confident78.5Confident28 Ų2883.9 Ų83.929%0.28939%0.392SS..THydrogen-bonded Turntrans-66.6-13.8177.100000114.3F331 Y335 K336 L337F331-G333 VanDerWaalsContact CE1-C 3.45Å; F331-G333 PolarHBondContact O-N 3.16Å; G333-Y335 PolarHBondContact O-N 3.36Å; G333-Y335 VanDerWaalsContact O-N 3.15Å; G333-K336 PolarHBondContact O-N 2.88Å; G333-L337 PolarHBondContact O-N 3.22Å
334R85.2Confident79.7Confident15 Ų1580.9 Ų80.96%0.05738%0.377CS..Hα-helixtrans-54.6-36.4-17672.7-170.6-175.8162.28.5113.7F287 G291 Q330 F331 L332 K336 L337 L338F287-R334 HydrophobicContact CD1-CB 4.24Å; F287-R334 HydrophobicContact CE1-CB 3.92Å; G291-R334 WeakPolarHBondContact O-CB 3.46Å; G291-R334 WeakPolarHBondContact O-CD 3.45Å; Q330-R334 VanDerWaalsContact NE2-NH1 3.11Å; F331-R334 HydrophobicContact CD1-CB 3.86Å; F331-R334 VanDerWaalsContact CD1-N 3.32Å; F331-R334 VanDerWaalsContact O-CB 3.23Å; F331-R334 WeakPolarHBondContact O-CB 3.24Å; F331-R334 VanDerWaalsContact O-CD 3.28Å; F331-R334 WeakPolarHBondContact O-CD 3.28Å; F331-R334 WeakPolarHBondContact O-CG 3.39Å; F331-R334 PolarHBondContact O-N 2.89Å; F331-R334 VanDerWaalsContact O-N 3.11Å; L332-R334 PolarHBondContact O-N 2.8Å; R334-K336 PolarHBondContact O-N 2.71Å; R334-L337 WeakPolarHBondContact O-CB 3.5Å; R334-L337 PolarHBondContact O-N 3.11Å; R334-L338 WeakPolarHBondContact O-CB 3.36Å; R334-L338 WeakPolarHBondContact O-CG 3.44Å; R334-L338 PolarHBondContact O-N 3.15Å
335Y87.4Confident81.9Confident128 Ų12875.2 Ų75.250%0.50235%0.351SS..Hα-helixtrans-67.4-37.2-178.8-60.6-68.9000112.4G333 R339G333-Y335 PolarHBondContact O-N 3.36Å; G333-Y335 VanDerWaalsContact O-N 3.15Å; Y335-R339 WeakPolarHBondContact O-CB 3.25Å; Y335-R339 PolarHBondContact O-N 3.23Å
336K89.3Confident84.1Confident129 Ų12979.2 Ų79.256%0.56136%0.364SS*.Hα-helixtrans-66.2-44.3174-174.9-177.9178-173.70109.7G333 R334 R339 Y340G333-K336 PolarHBondContact O-N 2.88Å; R334-K336 PolarHBondContact O-N 2.71Å; K336-R339 PolarHBondContact O-N 2.98Å; K336-Y340 HydrophobicContact CG-CD2 4.3Å; K336-Y340 HydrophobicContact CG-CE2 4.26Å; K336-Y340 VanDerWaalsContact O-CD2 3.26Å; K336-Y340 WeakPolarHBondContact O-CD2 3.48Å; K336-Y340 PolarHBondContact O-N 3.26Å
337L92.1Very high86.1Confident19 Ų1973.7 Ų73.710%0.09935%0.347CS..Hα-helixtrans-60.8-47.6178.5-65.3-159.4000112.1A286 F287 F331 G333 R334 R339 Y340 S341 R344A286-L337 HydrophobicContact CB-CD1 3.74Å; A286-L337 HydrophobicContact CB-CD2 4.47Å; A286-L337 WeakPolarHBondContact O-CD1 3.37Å; F287-L337 HydrophobicContact CD1-CD1 4.12Å; F287-L337 HydrophobicContact CD2-CD1 3.87Å; F287-L337 HydrophobicContact CE1-CB 4Å; F287-L337 HydrophobicContact CE1-CD1 4.12Å; F287-L337 HydrophobicContact CE2-CB 4.04Å; F287-L337 HydrophobicContact CE2-CD1 3.9Å; F287-L337 HydrophobicContact CG-CD1 4Å; F287-L337 HydrophobicContact CZ-CB 3.59Å; F287-L337 HydrophobicContact CZ-CD1 4.02Å; F287-L337 HydrophobicContact CZ-CG 4.47Å; F331-L337 HydrophobicContact CE1-CD1 3.57Å; F331-L337 HydrophobicContact CE1-CG 4.07Å; F331-L337 HydrophobicContact CZ-CD1 4.29Å; G333-L337 PolarHBondContact O-N 3.22Å; R334-L337 WeakPolarHBondContact O-CB 3.5Å; R334-L337 PolarHBondContact O-N 3.11Å; L337-R339 VanDerWaalsContact C-N 3.35Å; L337-R339 PolarHBondContact O-N 2.68Å; L337-Y340 CarbonylContact O-C 3.55Å; L337-Y340 PolarHBondContact O-N 3.08Å; L337-S341 PolarHBondContact O-N 3.29Å; L337-R344 PolarHBondContact O-NE 3.45Å; L337-R344 VanDerWaalsContact O-NE 3.11Å; L337-R344 PolarHBondContact O-NH2 3.45Å
338L92.7Very high87.9Confident34 Ų3472.3 Ų72.318%0.17833%0.332CS..Hα-helixtrans-63-38.2178.1-77169.9000113F287 G292 D295 D296 R334 Y340 S341F287-L338 HydrophobicContact CE1-CG 4.44Å; F287-L338 HydrophobicContact CZ-CD2 4.38Å; F287-L338 HydrophobicContact CZ-CG 4.28Å; G292-L338 WeakPolarHBondContact O-CD2 3.23Å; D295-L338 HydrophobicContact CB-CD1 4.24Å; D295-L338 HydrophobicContact CB-CD2 3.64Å; D296-L338 HydrophobicContact CB-CD2 3.95Å; R334-L338 WeakPolarHBondContact O-CB 3.36Å; R334-L338 WeakPolarHBondContact O-CG 3.44Å; R334-L338 PolarHBondContact O-N 3.15Å; L338-Y340 PolarHBondContact O-N 3.01Å; L338-S341 VanDerWaalsContact O-CB 3.28Å; L338-S341 WeakPolarHBondContact O-CB 3.39Å; L338-S341 PolarHBondContact O-N 3.47Å
339R92.3Very high89.3Confident191 Ų19168.9 Ų68.972%0.72132%0.316SS*.Hα-helixtrans-59.3-33.9177.1-178.9175.9178.2173.4-0.6112.5Y335 K336 L337Y335-R339 WeakPolarHBondContact O-CB 3.25Å; Y335-R339 PolarHBondContact O-N 3.23Å; K336-R339 PolarHBondContact O-N 2.98Å; L337-R339 VanDerWaalsContact C-N 3.35Å; L337-R339 PolarHBondContact O-N 2.68Å
340Y92.8Very high90.6Very high98 Ų9864.1 Ų64.138%0.38429%0.286SS..THydrogen-bonded Turntrans-106.827.1180-61.1-70.1000112.2K336 L337 L338 K342 E343 R344K336-Y340 HydrophobicContact CG-CD2 4.3Å; K336-Y340 HydrophobicContact CG-CE2 4.26Å; K336-Y340 VanDerWaalsContact O-CD2 3.26Å; K336-Y340 WeakPolarHBondContact O-CD2 3.48Å; K336-Y340 PolarHBondContact O-N 3.26Å; L337-Y340 CarbonylContact O-C 3.55Å; L337-Y340 PolarHBondContact O-N 3.08Å; L338-Y340 PolarHBondContact O-N 3.01Å; Y340-K342 VanDerWaalsContact C-N 3.33Å; Y340-K342 PolarHBondContact O-N 3.5Å; Y340-E343 VanDerWaalsContact C-OE2 3.29Å; Y340-E343 VanDerWaalsContact CA-OE2 3.25Å; Y340-E343 WeakPolarHBondContact CA-OE2 3.24Å; Y340-E343 PolarHBondContact O-N 2.8Å; Y340-R344 VanDerWaalsContact O-CB 3.28Å; Y340-R344 WeakPolarHBondContact O-CB 3.48Å; Y340-R344 WeakPolarHBondContact O-CG 3.22Å; Y340-R344 PolarHBondContact O-N 3.11Å
341S94.4Very high91.6Very high0 Ų067.2 Ų67.20%030%0.304CS..Hα-helixtrans-57.6-45.7-176.2-175.10000111.9D296 L337 L338 R344 Q345D296-S341 WeakPolarHBondContact OD1-CA 3.42Å; D296-S341 WeakPolarHBondContact OD1-CB 3.17Å; D296-S341 PolarHBondContact OD1-OG 3.09Å; L337-S341 PolarHBondContact O-N 3.29Å; L338-S341 VanDerWaalsContact O-CB 3.28Å; L338-S341 WeakPolarHBondContact O-CB 3.39Å; L338-S341 PolarHBondContact O-N 3.47Å; S341-R344 PolarHBondContact O-N 2.79Å; S341-Q345 PolarHBondContact O-N 3.48Å
342K94.2Very high92.4Very high109 Ų10965.7 Ų65.747%0.47430%0.298SS..Hα-helixtrans-64.8-44.7-176.9-169.4176-179.2-179.60112.5Y303 Y340 Y346Y303-K342 HydrophobicContact CD1-CD 4.46Å; Y303-K342 HydrophobicContact CD2-CB 3.89Å; Y303-K342 HydrophobicContact CD2-CG 3.91Å; Y303-K342 HydrophobicContact CE1-CD 4.43Å; Y303-K342 VanDerWaalsContact CE2-CA 3.47Å; Y303-K342 HydrophobicContact CE2-CB 3.45Å; Y303-K342 VanDerWaalsContact CE2-CB 3.45Å; Y303-K342 HydrophobicContact CE2-CG 3.97Å; Y303-K342 HydrophobicContact CG-CG 4.23Å; Y340-K342 VanDerWaalsContact C-N 3.33Å; Y340-K342 PolarHBondContact O-N 3.5Å; K342-Y346 WeakPolarHBondContact O-CE2 3.44Å
343E93.9Very high93.2Very high113 Ų11359.7 Ų59.753%0.52827%0.267SS..Hα-helixtrans-68.8-42.8-179.9-61.979-175.800110.5Y340 Q345Y340-E343 VanDerWaalsContact C-OE2 3.29Å; Y340-E343 VanDerWaalsContact CA-OE2 3.25Å; Y340-E343 WeakPolarHBondContact CA-OE2 3.24Å; Y340-E343 PolarHBondContact O-N 2.8Å; E343-Q345 VanDerWaalsContact C-N 3.34Å; E343-Q345 PolarHBondContact O-N 3.38Å
344R94.3Very high93.9Very high8 Ų862.8 Ų62.83%0.0328%0.276CS..Hα-helixtrans-71.5-25.4-178.4-68.5-173.8-46.1122.412.9113.5D296 L337 Y340 S341 Y346 I347 D348D296-R344 IonicContact OD1-NH2 3.58Å; D296-R344 PolarHBondContact OD1-NH2 2.94Å; D296-R344 VanDerWaalsContact OD1-NH2 3.11Å; L337-R344 PolarHBondContact O-NE 3.45Å; L337-R344 VanDerWaalsContact O-NE 3.11Å; L337-R344 PolarHBondContact O-NH2 3.45Å; Y340-R344 VanDerWaalsContact O-CB 3.28Å; Y340-R344 WeakPolarHBondContact O-CB 3.48Å; Y340-R344 WeakPolarHBondContact O-CG 3.22Å; Y340-R344 PolarHBondContact O-N 3.11Å; S341-R344 PolarHBondContact O-N 2.79Å; R344-Y346 PolarHBondContact O-N 3.38Å; R344-I347 WeakPolarHBondContact O-CG1 3.37Å; R344-I347 PolarHBondContact O-N 3.24Å; R344-D348 HydrophobicContact CB-CB 4.38Å; R344-D348 IonicContact NH1-OD2 3.85Å; R344-D348 PolarHBondContact NH1-OD2 2.96Å; R344-D348 WeakPolarHBondContact O-CB 3.39Å; R344-D348 PolarHBondContact O-N 3.37Å
345Q95.1Very high94.4Very high11 Ų1163.8 Ų63.85%0.05128%0.28CS..THydrogen-bonded Turntrans-52-35.3-177-177.5173.12.500113.5I280 N281 R300 S341 E343I280-Q345 WeakPolarHBondContact O-CG 3.44Å; I280-Q345 PolarHBondContact O-NE2 3.21Å; N281-Q345 WeakPolarHBondContact CB-O 3.43Å; N281-Q345 PolarHBondContact ND2-O 2.83Å; R300-Q345 HydrophobicContact CB-CG 4.45Å; R300-Q345 HydrophobicContact CG-CB 4.26Å; R300-Q345 HydrophobicContact CG-CG 3.82Å; R300-Q345 PolarHBondContact O-NE2 3.33Å; S341-Q345 PolarHBondContact O-N 3.48Å; E343-Q345 VanDerWaalsContact C-N 3.34Å; E343-Q345 PolarHBondContact O-N 3.38Å
346Y94.1Very high94.9Very high164 Ų16468.5 Ų68.564%0.64330%0.297SS*.THydrogen-bonded Turntrans-78-19.9-178.5-58.4-80000114.2K342 R344 N351K342-Y346 WeakPolarHBondContact O-CE2 3.44Å; R344-Y346 PolarHBondContact O-N 3.38Å; Y346-N351 PolarHBondContact O-ND2 2.88Å
347I95.1Very high95.3Very high61 Ų6164.7 Ų64.731%0.31329%0.285SS..THydrogen-bonded Turntrans-119.3-16.6-17264-177000113.3R344 N352 I379R344-I347 WeakPolarHBondContact O-CG1 3.37Å; R344-I347 PolarHBondContact O-N 3.24Å; I347-N352 VanDerWaalsContact O-CG 3.23Å; I347-N352 PolarHBondContact O-ND2 3.42Å; I347-I379 HydrophobicContact CB-CG2 4.36Å; I347-I379 HydrophobicContact CD1-CG2 3.6Å; I347-I379 HydrophobicContact CG1-CG2 4.09Å
348D96.5Very high95.6Very high1 Ų170.1 Ų70.11%0.00531%0.308CS..SBendtrans-122.8105.4-179.1177.725.9000109.9P284 N285 A286 R300 R344 I379P284-D348 WeakPolarHBondContact CB-OD2 3.25Å; N285-D348 WeakPolarHBondContact CA-OD1 3.43Å; N285-D348 VanDerWaalsContact CB-OD1 3.29Å; N285-D348 WeakPolarHBondContact CB-OD1 3.24Å; N285-D348 PolarHBondContact N-OD1 2.86Å; N285-D348 PolarHBondContact N-OD2 3.44Å; A286-D348 WeakPolarHBondContact CB-OD2 3.49Å; A286-D348 PolarHBondContact N-OD2 3.24Å; R300-D348 VanDerWaalsContact CZ-O 3.25Å; R300-D348 PolarHBondContact NH1-O 2.89Å; R300-D348 PolarHBondContact NH2-O 2.91Å; R344-D348 HydrophobicContact CB-CB 4.38Å; R344-D348 IonicContact NH1-OD2 3.85Å; R344-D348 PolarHBondContact NH1-OD2 2.96Å; R344-D348 WeakPolarHBondContact O-CB 3.39Å; R344-D348 PolarHBondContact O-N 3.37Å; D348-I379 HydrophobicContact CB-CD1 4.29Å
349G97.9Very high95.9Very high0 Ų072.5 Ų72.50%032%0.32CS..SBendtrans166.8-133.8176.700000115N281 F283 N285 N351 N352 L353N281-G349 CarbonylContact O-C 3.5Å; N281-G349 VanDerWaalsContact O-CA 3.22Å; N281-G349 WeakPolarHBondContact O-CA 2.99Å; F283-G349 VanDerWaalsContact O-CA 3.26Å; F283-G349 WeakPolarHBondContact O-CA 3.3Å; N285-G349 PolarHBondContact ND2-O 3.43Å; G349-N351 VanDerWaalsContact C-N 3.27Å; G349-N351 PolarHBondContact O-N 3.22Å; G349-N352 PolarHBondContact N-OD1 3.11Å; G349-N352 PolarHBondContact O-OD1 3.42Å; G349-L353 PolarHBondContact O-N 3.33Å
350L98.3Very high96.2Very high20 Ų2067.9 Ų67.911%0.10531%0.309CS..THydrogen-bonded Turntrans-63.3-34.6-179.8-71.4172000112.8N209 F212 K213 F277 N281N209-L350 HydrophobicContact CB-CD2 3.94Å; F212-L350 HydrophobicContact CD1-CD1 4.06Å; F212-L350 HydrophobicContact CD1-CD2 3.79Å; F212-L350 HydrophobicContact CE1-CD1 3.94Å; F212-L350 HydrophobicContact CE1-CD2 4.44Å; K213-L350 WeakPolarHBondContact CE-O 3.36Å; K213-L350 HydrophobicContact CG-CD2 4.23Å; K213-L350 PolarHBondContact NZ-O 3.44Å; F277-L350 HydrophobicContact CD1-CD1 3.98Å; F277-L350 HydrophobicContact CE1-CD1 3.96Å; F277-L350 HydrophobicContact CE1-CD2 4.05Å; F277-L350 HydrophobicContact CE1-CG 4.29Å; N281-L350 PolarHBondContact O-N 3.22Å; N281-L350 PolarHBondContact OD1-N 2.95Å
351N97.1Very high96.4Very high97 Ų9767.6 Ų67.652%0.51932%0.318SS..THydrogen-bonded Turntrans-68.5-36.8-175.162.4-16.3000114.2N281 Y346 G349N281-N351 PolarHBondContact ND2-OD1 3.48Å; N281-N351 PolarHBondContact OD1-N 2.97Å; N281-N351 PolarHBondContact OD1-OD1 3.43Å; Y346-N351 PolarHBondContact O-ND2 2.88Å; G349-N351 VanDerWaalsContact C-N 3.27Å; G349-N351 PolarHBondContact O-N 3.22Å
352N96.1Very high96.4Very high19 Ų1969.9 Ų69.910%0.10233%0.33CS..THydrogen-bonded Turntrans-100.72.7-177.576.8-31.1000114.1N285 I347 G349 I354 A377 P378N285-N352 PolarHBondContact ND2-OD1 2.89Å; I347-N352 VanDerWaalsContact O-CG 3.23Å; I347-N352 PolarHBondContact O-ND2 3.42Å; G349-N352 PolarHBondContact N-OD1 3.11Å; G349-N352 PolarHBondContact O-OD1 3.42Å; N352-I354 PolarHBondContact O-N 2.86Å; N352-A377 PolarHBondContact ND2-O 2.81Å; N352-P378 WeakPolarHBondContact CB-O 3.16Å; N352-P378 PolarHBondContact ND2-O 3.24Å
353L96.1Very high96.4Very high9 Ų968.7 Ų68.75%0.04732%0.322CS..  trans-72.9115.9-179.7173.262.5000112.2M206 N209 V210 K213 G349 Y355M206-L353 HydrophobicContact CE-CD1 3.33Å; M206-L353 HydrophobicContact CG-CD1 3.72Å; M206-L353 HydrophobicContact SD-CD1 4.38Å; N209-L353 HydrophobicContact CB-CD2 3.5Å; N209-L353 VanDerWaalsContact CB-CD2 3.5Å; V210-L353 HydrophobicContact CG2-CD1 4.17Å; V210-L353 HydrophobicContact CG2-CD2 3.83Å; K213-L353 HydrophobicContact CD-CD2 4.08Å; K213-L353 PolarHBondContact NZ-O 2.85Å; K213-L353 VanDerWaalsContact NZ-O 3.09Å; G349-L353 PolarHBondContact O-N 3.33Å; L353-Y355 HydrophobicContact CD1-CD1 4.07Å; L353-Y355 HydrophobicContact CD2-CD1 4Å; L353-Y355 HydrophobicContact CD2-CE1 3.96Å; L353-Y355 HydrophobicContact CG-CD1 3.68Å; L353-Y355 HydrophobicContact CG-CE1 4.01Å
354I96.8Very high96.6Very high93 Ų9363.3 Ų63.348%0.47730%0.297SS..  trans-111.2135.6172.4-54.9173.7000108.9N352 L376 P378N352-I354 PolarHBondContact O-N 2.86Å; I354-L376 WeakPolarHBondContact CB-O 3.41Å; I354-L376 HydrophobicContact CG2-CD2 4.3Å; I354-L376 PolarHBondContact N-O 2.99Å; I354-L376 WeakPolarHBondContact O-CB 3.29Å; I354-P378 HydrophobicContact CD1-CG 3.89Å
355Y97.3Very high96.8Very high35 Ų3564.4 Ų64.414%0.13730%0.302CS..  trans-165.8167178.562.7-72.9000110.6V210 K213 E214 L353 P357 V370V210-Y355 HydrophobicContact CB-CE2 4.47Å; V210-Y355 HydrophobicContact CG1-CD2 3.88Å; V210-Y355 HydrophobicContact CG1-CE2 3.79Å; V210-Y355 HydrophobicContact CG2-CD1 4.09Å; V210-Y355 HydrophobicContact CG2-CD2 3.98Å; V210-Y355 HydrophobicContact CG2-CE1 4.46Å; V210-Y355 HydrophobicContact CG2-CE2 4.34Å; V210-Y355 HydrophobicContact CG2-CG 3.86Å; K213-Y355 WeakPolarHBondContact CB-OH 3.45Å; K213-Y355 HydrophobicContact CD-CE1 3.72Å; E214-Y355 HydrophobicContact CG-CE2 4.28Å; E214-Y355 WeakPolarHBondContact OE1-CE2 3.29Å; E214-Y355 PolarHBondContact OE1-OH 2.75Å; L353-Y355 HydrophobicContact CD1-CD1 4.07Å; L353-Y355 HydrophobicContact CD2-CD1 4Å; L353-Y355 HydrophobicContact CD2-CE1 3.96Å; L353-Y355 HydrophobicContact CG-CD1 3.68Å; L353-Y355 HydrophobicContact CG-CE1 4.01Å; Y355-P357 HydrophobicContact CD2-CB 4.26Å; Y355-P357 HydrophobicContact CD2-CG 4.19Å; Y355-P357 HydrophobicContact CE2-CB 4.2Å; Y355-P357 HydrophobicContact CE2-CG 3.91Å; Y355-V370 HydrophobicContact CD2-CG1 3.96Å
356R97.4Very high96.9Very high227 Ų22764.4 Ų64.486%0.85730%0.302SS*.  trans-130.9104.5174.2-65.3-176.6-177-178.91.2109.1
357P97.8Very high97.2Very high49 Ų4957.6 Ų57.632%0.31828%0.277SS..  trans-83145.5-177.733.2-33.5000112Y355 I359 I368 V370Y355-P357 HydrophobicContact CD2-CB 4.26Å; Y355-P357 HydrophobicContact CD2-CG 4.19Å; Y355-P357 HydrophobicContact CE2-CB 4.2Å; Y355-P357 HydrophobicContact CE2-CG 3.91Å; P357-I359 HydrophobicContact CB-CG1 4.24Å; P357-I368 HydrophobicContact CB-CG2 3.83Å; P357-V370 HydrophobicContact CB-CG1 4Å
358K98.4Very high97.3Very high134 Ų13454.8 Ų54.858%0.58326%0.262SS*.EExtended strand (participates in β ladder)trans-106.2115.5158.7-179.3-176.5177.8-174.10107.6S369K358-S369 PolarHBondContact N-O 2.85Å; K358-S369 PolarHBondContact O-N 3.42Å
359I98.3Very high97.4Very high84 Ų8455.5 Ų55.543%0.43127%0.268SS..EExtended strand (participates in β ladder)trans-101.7129.2-175.9-55.9176000109.1P357 V361 T366 N367P357-I359 HydrophobicContact CB-CG1 4.24Å; I359-V361 HydrophobicContact CG2-CG2 4.42Å; I359-T366 HydrophobicContact CG2-CG2 3.69Å; I359-N367 WeakPolarHBondContact CA-O 3.34Å
360L98.1Very high97.4Very high93 Ų9355.6 Ų55.649%0.48727%0.268SS..EExtended strand (participates in β ladder)trans-128.2122.8171.4-65173000108.1N367L360-N367 HydrophobicContact CB-CB 4.36Å; L360-N367 PolarHBondContact N-O 2.75Å; L360-N367 PolarHBondContact O-N 3.35Å
361V97.6Very high97.4Very high93 Ų9358.7 Ų58.756%0.56429%0.285SS*.EExtended strand (participates in β ladder)trans-94.1109.6179.4-174.70000108.2P143 I359 T366P143-V361 HydrophobicContact CB-CG1 3.83Å; I359-V361 HydrophobicContact CG2-CG2 4.42Å; V361-T366 HydrophobicContact CG2-CG2 4.41Å
362D94.8Very high97.3Very high48 Ų4854 Ų5426%0.25726%0.26SS..  trans-89.5173.7170.8176.9-105.9000109.9H132 G144 L364 Y365H132-D362 IonicContact CE1-OD1 3.72Å; H132-D362 PolarHBondContact CE1-OD1 2.85Å; H132-D362 VanDerWaalsContact CE1-OD1 3.24Å; H132-D362 IonicContact CE1-OD2 3.72Å; H132-D362 PolarHBondContact CE1-OD2 3.5Å; H132-D362 IonicContact NE2-OD1 2.82Å; H132-D362 IonicContact NE2-OD2 3.19Å; G144-D362 PolarHBondContact N-O 3.42Å; D362-L364 PolarHBondContact OD1-N 3.49Å; D362-Y365 CarbonylContact C-O 3.42Å; D362-Y365 WeakPolarHBondContact CA-O 3.43Å; D362-Y365 HydrophobicContact CB-CD1 4.13Å; D362-Y365 HydrophobicContact CB-CE1 3.93Å; D362-Y365 WeakPolarHBondContact CB-O 3.28Å; D362-Y365 PolarHBondContact N-O 3.47Å; D362-Y365 WeakPolarHBondContact OD1-CE1 3.17Å
363R94.7Very high97.2Very high83 Ų8356.6 Ų56.631%0.31327%0.272SS..SBendtrans-64.8-43172.3-174.8176.7178.5139-6.3112.6F135 S136 D138 G145F135-R363 PolarHBondContact O-NH2 2.84Å; S136-R363 PolarHBondContact O-NH2 3.36Å; D138-R363 PolarHBondContact O-NH2 2.83Å; G145-R363 WeakPolarHBondContact CA-O 3.34Å; G145-R363 PolarHBondContact N-O 3.24Å
364L96.9Very high96.9Very high0 Ų058.7 Ų58.70%029%0.286CS..SBendtrans-94.8-13-169.5-61.4-177.3000113.8I131 F135 I141 G145 I179 D362I131-L364 HydrophobicContact CG2-CD1 3.8Å; F135-L364 HydrophobicContact CB-CD2 3.79Å; F135-L364 HydrophobicContact CD2-CD1 4.37Å; F135-L364 HydrophobicContact CD2-CD2 4.39Å; F135-L364 HydrophobicContact CG-CD2 4.3Å; I141-L364 HydrophobicContact CG2-CD2 4.32Å; G145-L364 WeakPolarHBondContact CA-O 3.46Å; I179-L364 HydrophobicContact CD1-CD2 4.14Å; D362-L364 PolarHBondContact OD1-N 3.49Å
365Y98Very high96.6Very high32 Ų3260.2 Ų60.213%0.12529%0.292CS..  trans-166.4167.2-179.265.1-73.6000111.5F128 G144 F175 F191 V193 D362 N367F128-Y365 AromaticContact CE1-CE1 3.97Å; F128-Y365 HydrophobicContact CE1-CE1 3.97Å; F128-Y365 HydrophobicContact CE2-CE1 4.48Å; F128-Y365 HydrophobicContact CZ-CD1 4.14Å; F128-Y365 AromaticContact CZ-CE1 3.5Å; F128-Y365 HydrophobicContact CZ-CE1 3.5Å; G144-Y365 VanDerWaalsContact C-CA 3.47Å; G144-Y365 CarbonylContact O-C 3.48Å; G144-Y365 WeakPolarHBondContact O-CA 3.18Å; F175-Y365 AromaticContact CE2-CD1 3.79Å; F175-Y365 HydrophobicContact CE2-CD1 3.79Å; F175-Y365 HydrophobicContact CE2-CE1 4.29Å; F175-Y365 HydrophobicContact CE2-CG 4.3Å; F175-Y365 AromaticContact CZ-CD1 3.7Å; F175-Y365 HydrophobicContact CZ-CD1 3.7Å; F175-Y365 AromaticContact CZ-CG 3.79Å; F175-Y365 HydrophobicContact CZ-CG 3.79Å; F191-Y365 WeakPolarHBondContact O-CA 3.26Å; V193-Y365 HydrophobicContact CB-CD2 3.54Å; V193-Y365 HydrophobicContact CB-CE2 3.78Å; V193-Y365 HydrophobicContact CG1-CE2 4.36Å; V193-Y365 HydrophobicContact CG2-CD2 3.27Å; V193-Y365 HydrophobicContact CG2-CE2 3.76Å; V193-Y365 HydrophobicContact CG2-CG 3.87Å; D362-Y365 CarbonylContact C-O 3.42Å; D362-Y365 WeakPolarHBondContact CA-O 3.43Å; D362-Y365 HydrophobicContact CB-CD1 4.13Å; D362-Y365 HydrophobicContact CB-CE1 3.93Å; D362-Y365 WeakPolarHBondContact CB-O 3.28Å; D362-Y365 PolarHBondContact N-O 3.47Å; D362-Y365 WeakPolarHBondContact OD1-CE1 3.17Å; Y365-N367 HydrophobicContact CD2-CB 4.28Å; Y365-N367 HydrophobicContact CE2-CB 3.73Å
366T98.7Very high96.2Very high11 Ų1160.9 Ų60.97%0.06730%0.297CS..EExtended strand (participates in β ladder)trans-99120.6165.7-61.70000109.4G144 F191 Y192 V193 I359 V361 I368G144-T366 WeakPolarHBondContact CA-OG1 3.3Å; F191-T366 PolarHBondContact O-N 2.79Å; Y192-T366 WeakPolarHBondContact CA-O 3.19Å; Y192-T366 HydrophobicContact CD1-CG2 4.33Å; V193-T366 PolarHBondContact N-O 2.81Å; I359-T366 HydrophobicContact CG2-CG2 3.69Å; V361-T366 HydrophobicContact CG2-CG2 4.41Å; T366-I368 HydrophobicContact CG2-CG1 4.23Å
367N98.6Very high95.7Very high21 Ų2150.7 Ų50.711%0.11226%0.262CS..EExtended strand (participates in β ladder)trans-85.7127.6171.2-169.7-13.3000109.9V193 E195 I359 L360 Y365 S369V193-N367 WeakPolarHBondContact O-CA 3.08Å; V193-N367 PolarHBondContact O-OD1 2.91Å; E195-N367 PolarHBondContact OE2-ND2 3.42Å; I359-N367 WeakPolarHBondContact CA-O 3.34Å; L360-N367 HydrophobicContact CB-CB 4.36Å; L360-N367 PolarHBondContact N-O 2.75Å; L360-N367 PolarHBondContact O-N 3.35Å; Y365-N367 HydrophobicContact CD2-CB 4.28Å; Y365-N367 HydrophobicContact CE2-CB 3.73Å; N367-S369 PolarHBondContact OD1-OG 3.29Å
368I98.7Very high95Very high1 Ų151.3 Ų51.31%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-119.194.7174.1-57.5160.7000107.5Y192 V193 I194 E195 V210 E214 P357 T366 V370Y192-I368 HydrophobicContact CD1-CD1 4.02Å; V193-I368 PolarHBondContact O-N 3.42Å; I194-I368 CarbonylContact C-O 3.47Å; I194-I368 WeakPolarHBondContact CA-O 3.4Å; I194-I368 HydrophobicContact CG1-CD1 4.26Å; E195-I368 PolarHBondContact N-O 2.91Å; V210-I368 HydrophobicContact CG1-CG2 4.06Å; E214-I368 HydrophobicContact CB-CD1 3.51Å; E214-I368 HydrophobicContact CB-CG1 4.4Å; E214-I368 HydrophobicContact CG-CD1 3.92Å; E214-I368 HydrophobicContact CG-CG1 4.44Å; E214-I368 HydrophobicContact CG-CG2 3.97Å; P357-I368 HydrophobicContact CB-CG2 3.83Å; T366-I368 HydrophobicContact CG2-CG1 4.23Å; I368-V370 HydrophobicContact CG2-CG1 4.31Å
369S98.6Very high94.2Very high17 Ų1746.9 Ų46.912%0.11925%0.248CC..EExtended strand (participates in β ladder)trans-85.7127.9176.1-46.50000110.4E195 K358 N367E195-S369 WeakPolarHBondContact O-CA 3.47Å; E195-S369 PolarHBondContact OE2-OG 2.91Å; K358-S369 PolarHBondContact N-O 2.85Å; K358-S369 PolarHBondContact O-N 3.42Å; N367-S369 PolarHBondContact OD1-OG 3.29Å
370V98.3Very high92.6Very high2 Ų252 Ų521%0.01227%0.27CS..EExtended strand (participates in β ladder)trans-133.6145.4178.7-75.10000111.3I194 E195 T197 L207 V210 Y355 P357 I368 L372I194-V370 HydrophobicContact CG2-CG2 4.16Å; E195-V370 PolarHBondContact O-N 3.31Å; T197-V370 PolarHBondContact N-O 2.9Å; T197-V370 VanDerWaalsContact OG1-C 3.26Å; T197-V370 PolarHBondContact OG1-O 2.94Å; L207-V370 HydrophobicContact CD2-CG2 3.7Å; V210-V370 HydrophobicContact CG1-CG1 3.9Å; V210-V370 HydrophobicContact CG1-CG2 4.33Å; Y355-V370 HydrophobicContact CD2-CG1 3.96Å; P357-V370 HydrophobicContact CB-CG1 4Å; I368-V370 HydrophobicContact CG2-CG1 4.31Å; V370-L372 HydrophobicContact CB-CD2 4.12Å; V370-L372 HydrophobicContact CB-CG 4.37Å; V370-L372 HydrophobicContact CG2-CD1 4.23Å; V370-L372 HydrophobicContact CG2-CD2 4.02Å; V370-L372 HydrophobicContact CG2-CG 3.92Å
371N97Very high90.6Very high84 Ų8454 Ų5445%0.44928%0.281SS..EExtended strand (participates in β ladder)trans-101.4112167.6-175.39.4000108T197 L376T197-N371 WeakPolarHBondContact OG1-CA 3.37Å; T197-N371 WeakPolarHBondContact OG1-CB 3.33Å; T197-N371 PolarHBondContact OG1-N 3.42Å; N371-L376 WeakPolarHBondContact O-CD1 3.43Å
372L95.6Very high88.3Confident0 Ų059.6 Ų59.60%029%0.293CS..  trans-104.1139.6-176.4-58.6-179.2000110.6M206 L207 V210 W288 V370M206-L372 HydrophobicContact CB-CD1 4.11Å; M206-L372 HydrophobicContact CE-CD2 4.1Å; M206-L372 HydrophobicContact CG-CD1 3.9Å; M206-L372 HydrophobicContact SD-CB 4.18Å; M206-L372 HydrophobicContact SD-CD1 3.97Å; M206-L372 HydrophobicContact SD-CD2 4.23Å; M206-L372 HydrophobicContact SD-CG 4.36Å; L207-L372 HydrophobicContact CD2-CD1 3.58Å; L207-L372 HydrophobicContact CG-CD1 3.93Å; V210-L372 HydrophobicContact CG2-CD2 4.3Å; W288-L372 HydrophobicContact CH2-CB 3.72Å; W288-L372 HydrophobicContact CZ3-CB 4.36Å; V370-L372 HydrophobicContact CB-CD2 4.12Å; V370-L372 HydrophobicContact CB-CG 4.37Å; V370-L372 HydrophobicContact CG2-CD1 4.23Å; V370-L372 HydrophobicContact CG2-CD2 4.02Å; V370-L372 HydrophobicContact CG2-CG 3.92Å
373M93.8Very high87.9Confident73 Ų7360.2 Ų60.236%0.3630%0.295SS..  trans-137.3153.3173.2-55.9-177.959.200110Q200 W288 E375 L376Q200-M373 HydrophobicContact CG-CG 4.32Å; W288-M373 VanDerWaalsContact CH2-C 3.45Å; W288-M373 WeakPolarHBondContact CZ2-O 3.4Å; M373-E375 VanDerWaalsContact CB-OE2 3.24Å; M373-E375 WeakPolarHBondContact CB-OE2 3.3Å; M373-E375 PolarHBondContact O-N 2.93Å; M373-E375 VanDerWaalsContact O-N 3.16Å; M373-L376 HydrophobicContact CB-CD1 4.41Å; M373-L376 HydrophobicContact CB-CG 4.3Å; M373-L376 VanDerWaalsContact O-CB 3.28Å; M373-L376 WeakPolarHBondContact O-CB 3.32Å; M373-L376 PolarHBondContact O-N 3.01Å
374P90.4Very high87.6Confident52 Ų5258.9 Ų58.934%0.33829%0.294SS..G310 helixtrans-53.6-34.7179.6-27.635.2000114.1W288 L376 A377W288-P374 HydrophobicContact CD2-CG 4.06Å; W288-P374 HydrophobicContact CG-CG 4.44Å; W288-P374 HydrophobicContact CZ2-CB 4.36Å; W288-P374 HydrophobicContact CZ2-CG 4.04Å; W288-P374 VanDerWaalsContact CZ2-N 3.27Å; P374-L376 PolarHBondContact O-N 3.36Å; P374-A377 PolarHBondContact O-N 3.32Å
375E90.8Very high87.1Confident126 Ų12662.2 Ų62.259%0.58931%0.311SS*.G310 helixtrans-68.1-14.6-179.8-56.874.9-162.100113M373 A377M373-E375 VanDerWaalsContact CB-OE2 3.24Å; M373-E375 WeakPolarHBondContact CB-OE2 3.3Å; M373-E375 PolarHBondContact O-N 2.93Å; M373-E375 VanDerWaalsContact O-N 3.16Å; E375-A377 PolarHBondContact O-N 3.43Å
376L88.3Confident86.4Confident49 Ų4964 Ų6426%0.25732%0.321SS..G310 helixtrans-84.54.8177.5-63.1-178000113.4M206 I354 N371 M373 P374M206-L376 HydrophobicContact CE-CB 3.97Å; I354-L376 WeakPolarHBondContact CB-O 3.41Å; I354-L376 HydrophobicContact CG2-CD2 4.3Å; I354-L376 PolarHBondContact N-O 2.99Å; I354-L376 WeakPolarHBondContact O-CB 3.29Å; N371-L376 WeakPolarHBondContact O-CD1 3.43Å; M373-L376 HydrophobicContact CB-CD1 4.41Å; M373-L376 HydrophobicContact CB-CG 4.3Å; M373-L376 VanDerWaalsContact O-CB 3.28Å; M373-L376 WeakPolarHBondContact O-CB 3.32Å; M373-L376 PolarHBondContact O-N 3.01Å; P374-L376 PolarHBondContact O-N 3.36Å
377A86.7Confident85.7Confident13 Ų1367.3 Ų67.311%0.10734%0.337CS..SBendtrans-130.866.1165.700000109.4M206 N285 N352 P374 E375M206-A377 HydrophobicContact CE-CB 4.07Å; N285-A377 HydrophobicContact CB-CB 3.46Å; N285-A377 VanDerWaalsContact CB-CB 3.46Å; N352-A377 PolarHBondContact ND2-O 2.81Å; P374-A377 PolarHBondContact O-N 3.32Å; E375-A377 PolarHBondContact O-N 3.43Å
378P83.8Confident84.8Confident62 Ų6270.4 Ų70.440%0.40335%0.352SS..  trans-61.8145.3-178.528.5-34.8000110.2N352 I354N352-P378 WeakPolarHBondContact CB-O 3.16Å; N352-P378 PolarHBondContact ND2-O 3.24Å; I354-P378 HydrophobicContact CD1-CG 3.89Å
379I80.3Confident83.8Confident40 Ų4075.4 Ų75.421%0.20538%0.377CS..  trans-116.9114.7170.2-63173.6000104.7I347 D348 D381 Y382I347-I379 HydrophobicContact CB-CG2 4.36Å; I347-I379 HydrophobicContact CD1-CG2 3.6Å; I347-I379 HydrophobicContact CG1-CG2 4.09Å; D348-I379 HydrophobicContact CB-CD1 4.29Å; I379-D381 PolarHBondContact O-N 3.39Å; I379-Y382 HydrophobicContact CB-CD2 4.23Å; I379-Y382 HydrophobicContact CD1-CD2 4.33Å; I379-Y382 HydrophobicContact CD1-CE2 4.02Å; I379-Y382 HydrophobicContact CG2-CD2 4.05Å
380E65.3Low82.7Confident193 Ų19379.8 Ų79.890%0.90240%0.397SS*.SBendtrans-65.6-24.1-173.5-67.5-175164.800112.6
381D56Low81.4Confident134 Ų13486.3 Ų86.372%0.71743%0.429SS*.  trans-11887-176.9-66.3-39.9000112.4I379I379-D381 PolarHBondContact O-N 3.39Å
382Y48.5Very low79.9Confident210 Ų21086.5 Ų86.582%0.82443%0.427SS*.  trans-122.30165.2-120.3-67.5000112.9I379I379-Y382 HydrophobicContact CB-CD2 4.23Å; I379-Y382 HydrophobicContact CD1-CD2 4.33Å; I379-Y382 HydrophobicContact CD1-CE2 4.02Å; I379-Y382 HydrophobicContact CG2-CD2 4.05Å

Retrieved 382 of 382 residues in 656.9 ms (Link to these results)

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